A0A087YPP7_POEFO Loading...

Methanethiol oxidase

Catalyzes the oxidation of methanethiol, an organosulfur compound known to be produced in substantial amounts by gut bacteria. Selenium-binding protein which may be involved in the sensing of reactive xenobiotics in the cytoplasm. May be involved in intra-Golgi protein transport.

AlphaFold DB , UniProt , Accession A0A087YPP7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 434 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.9	Very low	34.1	Very low	118 Å²	118	114.2 Å²	114.2	58%	0.581	72%	0.719	S	S	*	*				0	152.4	0	-75.3	-174.1	-80.2	0	0	109.6	M386	M1-M386 HydrophobicContact CE-CE 3.37Å; M1-M386 HydrophobicContact CE-SD 3.64Å; M1-M386 HydrophobicContact SD-CE 3.96Å
2	G	30.1	Very low	35.1	Very low	52 Å²	52	113.7 Å²	113.7	54%	0.536	72%	0.722	S	S	.	*			trans	-63.1	136.1	177.1	0	0	0	0	0	111.6	D4	G2-D4 PolarHBondContact O-N 3.47Å
3	S	34.4	Very low	37	Very low	117 Å²	117	110.2 Å²	110.2	82%	0.818	70%	0.695	S	S	*	*			trans	-64.6	124.8	177.3	51.4	0	0	0	0	110.8	G5	S3-G5 VanDerWaalsContact C-N 3.3Å; S3-G5 PolarHBondContact O-N 2.82Å
4	D	40.5	Very low	38.6	Very low	89 Å²	89	110.8 Å²	110.8	48%	0.476	70%	0.7	S	S	.	*			trans	-69.2	93.8	163.1	-95.5	-13.9	0	0	0	107.5	G2 R360	G2-D4 PolarHBondContact O-N 3.47Å; D4-R360 PolarHBondContact O-NH1 2.68Å
5	G	29.6	Very low	40.8	Very low	62 Å²	62	106 Å²	106	64%	0.639	67%	0.67	S	S	*	*			trans	-61.6	157.2	172.5	0	0	0	0	0	112	S3	S3-G5 VanDerWaalsContact C-N 3.3Å; S3-G5 PolarHBondContact O-N 2.82Å
6	S	28.3	Very low	43.2	Very low	111 Å²	111	108.2 Å²	108.2	78%	0.776	66%	0.661	S	S	*	*			trans	-34	140.1	178.9	50.2	0	0	0	0	115.4	G8	S6-G8 PolarHBondContact O-N 2.88Å
7	V	36.3	Very low	45.7	Very low	160 Å²	160	104.1 Å²	104.1	97%	0.97	63%	0.634	S	S	*	*	S	Bend	trans	-37.5	105.6	168.3	179.6	0	0	0	0	110.5
8	G	30.7	Very low	48	Very low	75 Å²	75	104.4 Å²	104.4	77%	0.773	63%	0.627	S	S	*	*	S	Bend	trans	153.5	4.1	178.5	0	0	0	0	0	118.8	S6	S6-G8 PolarHBondContact O-N 2.88Å
9	S	27.8	Very low	50.4	Low	93 Å²	93	101.2 Å²	101.2	65%	0.65	61%	0.608	S	S	*	*			trans	-163.1	112.9	162.6	61	0	0	0	0	111.3	V11	S9-V11 PolarHBondContact O-N 3.31Å
10	R	40	Very low	52.5	Low	264 Å²	264	99.4 Å²	99.4	100%	0.996	59%	0.594	S	S	*	*			trans	-70.1	78.8	164.5	-82.4	-176.7	176.4	-172.7	-0.6	108.7	S12	R10-S12 PolarHBondContact O-N 2.87Å
11	V	38.9	Very low	54.5	Low	115 Å²	115	97.5 Å²	97.5	70%	0.697	58%	0.579	S	S	*	*			trans	-73.7	113	160.1	-178.2	0	0	0	0	105.9	S9 N13	S9-V11 PolarHBondContact O-N 3.31Å; V11-N13 PolarHBondContact O-N 2.77Å
12	S	45.5	Very low	57.2	Low	108 Å²	108	96.8 Å²	96.8	76%	0.755	57%	0.57	S	S	*	*			trans	-60.7	101	172.8	54.5	0	0	0	0	108.6	R10 P14	R10-S12 PolarHBondContact O-N 2.87Å; S12-P14 VanDerWaalsContact O-CD 3.28Å; S12-P14 WeakPolarHBondContact O-CD 3.29Å
13	N	60.1	Low	60.4	Low	68 Å²	68	96.9 Å²	96.9	36%	0.364	56%	0.558	S	S	.	*			trans	-81.2	111.2	172.4	-177.2	-11.6	0	0	0	108.3	V11 T15 R16	V11-N13 PolarHBondContact O-N 2.77Å; N13-T15 PolarHBondContact O-N 3.23Å; N13-T15 VanDerWaalsContact O-N 3.08Å; N13-T15 PolarHBondContact OD1-N 2.67Å; N13-T15 VanDerWaalsContact OD1-N 3.08Å; N13-T15 PolarHBondContact OD1-OG1 2.92Å; N13-R16 WeakPolarHBondContact O-CB 3.25Å; N13-R16 PolarHBondContact O-N 3.39Å
14	P	59.3	Low	63.3	Low	119 Å²	119	96.2 Å²	96.2	77%	0.773	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-13.5	-175.8	27.1	-34.6	0	0	0	113.3	S12	S12-P14 VanDerWaalsContact O-CD 3.28Å; S12-P14 WeakPolarHBondContact O-CD 3.29Å
15	T	71.8	Confident	66	Low	39 Å²	39	94 Å²	94	24%	0.239	54%	0.538	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	16.2	-179.4	58.2	0	0	0	0	113.6	N13 L17 Q18 I20 R74	N13-T15 PolarHBondContact O-N 3.23Å; N13-T15 VanDerWaalsContact O-N 3.08Å; N13-T15 PolarHBondContact OD1-N 2.67Å; N13-T15 VanDerWaalsContact OD1-N 3.08Å; N13-T15 PolarHBondContact OD1-OG1 2.92Å; T15-L17 PolarHBondContact O-N 2.87Å; T15-Q18 PolarHBondContact O-N 3.17Å; T15-I20 HydrophobicContact CG2-CG2 4.33Å; T15-R74 PolarHBondContact OG1-NH2 2.83Å
16	R	79.4	Confident	69.2	Low	141 Å²	141	95.1 Å²	95.1	53%	0.532	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	134	179.6	177.3	168.1	-179.2	-164.4	-1.6	110.5	N13 Q18	N13-R16 WeakPolarHBondContact O-CB 3.25Å; N13-R16 PolarHBondContact O-N 3.39Å; R16-Q18 VanDerWaalsContact C-N 3.31Å; R16-Q18 PolarHBondContact O-N 3.32Å
17	L	85.7	Confident	72.4	Confident	38 Å²	38	92.8 Å²	92.8	20%	0.199	51%	0.513	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	30.6	-177.8	-54.7	171.4	0	0	0	114.5	T15 D403 F404	T15-L17 PolarHBondContact O-N 2.87Å; L17-D403 WeakPolarHBondContact CD1-O 3.41Å; L17-F404 HydrophobicContact CD2-CB 4.34Å; L17-F404 HydrophobicContact CD2-CD1 4.09Å; L17-F404 HydrophobicContact CD2-CD2 3.23Å; L17-F404 HydrophobicContact CD2-CE1 4.13Å; L17-F404 HydrophobicContact CD2-CE2 3.26Å; L17-F404 HydrophobicContact CD2-CG 3.64Å; L17-F404 HydrophobicContact CD2-CZ 3.72Å
18	Q	87.2	Confident	75.2	Confident	111 Å²	111	92.5 Å²	92.5	52%	0.519	51%	0.505	S	S	.	.	S	Bend	trans	-122.6	144.9	175.5	-65	179.4	-11.4	0	0	110.8	T15 R16 I20	T15-Q18 PolarHBondContact O-N 3.17Å; R16-Q18 VanDerWaalsContact C-N 3.31Å; R16-Q18 PolarHBondContact O-N 3.32Å; Q18-I20 PolarHBondContact O-N 3.03Å
19	V	92.2	Very high	78.3	Confident	42 Å²	42	95.6 Å²	95.6	26%	0.255	50%	0.504	S	S	.	.			trans	-71.6	108.3	164.5	177.4	0	0	0	0	107.5	H21 R22 V406 F408	V19-H21 WeakPolarHBondContact CG1-O 3.42Å; V19-R22 HydrophobicContact CG1-CG 3.91Å; V19-V406 HydrophobicContact CG2-CG1 4.1Å; V19-F408 HydrophobicContact CG2-CD1 4.43Å; V19-F408 HydrophobicContact CG2-CE1 4.04Å
20	I	93.4	Very high	81.6	Confident	65 Å²	65	91.6 Å²	91.6	33%	0.333	48%	0.475	S	S	.	.			trans	-86.9	-17.4	-175	61.3	170.4	0	0	0	113.6	T15 Q18 R74	T15-I20 HydrophobicContact CG2-CG2 4.33Å; Q18-I20 PolarHBondContact O-N 3.03Å; I20-R74 HydrophobicContact CD1-CB 4.09Å; I20-R74 HydrophobicContact CD1-CG 4.09Å
21	H	94.8	Very high	84.3	Confident	61 Å²	61	81 Å²	81	28%	0.282	44%	0.437	S	S	.	.			trans	-155.1	148.3	-179.4	-175.2	75.1	0	0	0	110.2	V19 R74 S75 P76	V19-H21 WeakPolarHBondContact CG1-O 3.42Å; H21-R74 VanDerWaalsContact CB-O 3.22Å; H21-R74 WeakPolarHBondContact CB-O 3.38Å; H21-S75 PolarHBondContact CE1-OG 3.02Å; H21-S75 PolarHBondContact ND1-OG 2.94Å; H21-P76 VanDerWaalsContact CD2-CD 3.47Å; H21-P76 WeakPolarHBondContact CD2-CD 3.47Å; H21-P76 PolarHBondContact NE2-O 3.45Å; H21-P76 VanDerWaalsContact NE2-O 3.07Å
22	R	95.4	Very high	87.1	Confident	102 Å²	102	79.1 Å²	79.1	39%	0.385	42%	0.423	S	S	.	.			trans	-130.8	127.1	174.9	-66.4	164	-176.7	77.2	6.8	107.1	V19 P24 E411	V19-R22 HydrophobicContact CG1-CG 3.91Å; R22-P24 WeakPolarHBondContact O-CD 3.41Å; R22-E411 WeakPolarHBondContact CD-OE2 3.5Å; R22-E411 IonicContact CZ-OE1 3.9Å; R22-E411 IonicContact CZ-OE2 2.68Å; R22-E411 IonicContact NE-OE1 3.92Å; R22-E411 IonicContact NE-OE2 2.85Å; R22-E411 PolarHBondContact NE-OE2 3.3Å; R22-E411 IonicContact NH2-OE1 3.7Å; R22-E411 PolarHBondContact NH2-OE1 3.12Å; R22-E411 IonicContact NH2-OE2 3.31Å; R22-E411 PolarHBondContact NH2-OE2 2.82Å
23	L	96.5	Very high	89.5	Confident	54 Å²	54	74.4 Å²	74.4	28%	0.283	39%	0.389	S	S	.	.			trans	-107.2	97.3	174	-179.4	59.7	0	0	0	108	M25 I67 P76 I78	L23-M25 HydrophobicContact CB-CE 4.28Å; L23-M25 HydrophobicContact CD2-CE 3.92Å; L23-M25 HydrophobicContact CG-CE 3.65Å; L23-M25 WeakPolarHBondContact O-CE 3.39Å; L23-M25 PolarHBondContact O-N 2.94Å; L23-I67 HydrophobicContact CD2-CD1 3.81Å; L23-I67 HydrophobicContact CD2-CG1 4.35Å; L23-I67 HydrophobicContact CD2-CG2 3.64Å; L23-P76 HydrophobicContact CD2-CB 4.42Å; L23-I78 HydrophobicContact CD1-CG1 4.36Å; L23-I78 HydrophobicContact CD2-CG1 4.11Å; L23-I78 HydrophobicContact CG-CG1 4.4Å
24	P	95.8	Very high	91.3	Very high	104 Å²	104	71.3 Å²	71.3	68%	0.675	37%	0.372	S	S	*	.			trans	-65.3	131.8	178.3	26.5	-33.1	0	0	0	109.9	R22	R22-P24 WeakPolarHBondContact O-CD 3.41Å
25	M	96.4	Very high	93.1	Very high	41 Å²	41	66 Å²	66	20%	0.202	34%	0.338	C	S	.	.			trans	-74.6	144.2	171.8	-66	-58.4	100.9	0	0	109.7	L23 N27 L32 Y65 I67 I78	L23-M25 HydrophobicContact CB-CE 4.28Å; L23-M25 HydrophobicContact CD2-CE 3.92Å; L23-M25 HydrophobicContact CG-CE 3.65Å; L23-M25 WeakPolarHBondContact O-CE 3.39Å; L23-M25 PolarHBondContact O-N 2.94Å; M25-N27 PolarHBondContact O-N 3.47Å; M25-L32 HydrophobicContact CG-CD1 4.09Å; M25-Y65 HydrophobicContact CB-CE2 4.2Å; M25-Y65 HydrophobicContact CG-CD2 4.34Å; M25-Y65 HydrophobicContact CG-CE2 3.95Å; M25-Y65 HydrophobicContact SD-CD1 4.01Å; M25-Y65 HydrophobicContact SD-CD2 3.47Å; M25-Y65 WeakPolarHBondContact SD-CD2 3.15Å; M25-Y65 HydrophobicContact SD-CE1 4.12Å; M25-Y65 HydrophobicContact SD-CE2 3.58Å; M25-Y65 VanDerWaalsContact SD-CE2 3.58Å; M25-Y65 HydrophobicContact SD-CG 3.67Å; M25-I67 HydrophobicContact CE-CD1 4.38Å; M25-I78 HydrophobicContact CE-CD1 4.26Å; M25-I78 HydrophobicContact CE-CG1 4.38Å; M25-I78 HydrophobicContact SD-CD1 4.46Å
26	P	96.8	Very high	94.3	Very high	86 Å²	86	64.2 Å²	64.2	56%	0.558	33%	0.328	S	S	*	.	S	Bend	trans	-72	-14.9	-177.3	27.4	-34.5	0	0	0	113.5	Y65 I78	P26-Y65 HydrophobicContact CG-CE1 3.7Å; P26-I78 HydrophobicContact CG-CD1 4.18Å
27	N	97	Very high	95.1	Very high	62 Å²	62	58.1 Å²	58.1	33%	0.332	31%	0.305	S	S	.	.	S	Bend	trans	-121.4	154.7	-178	-58.8	-80	0	0	0	111.3	M25 R63 Y65	M25-N27 PolarHBondContact O-N 3.47Å; N27-R63 PolarHBondContact ND2-NE 2.95Å; N27-Y65 PolarHBondContact ND2-OH 2.71Å; N27-Y65 VanDerWaalsContact ND2-OH 3.12Å
28	L	95.3	Very high	95.6	Very high	155 Å²	155	57 Å²	57	81%	0.812	30%	0.299	S	S	*	.	S	Bend	trans	-95.5	161.7	172.7	-61.3	178.3	0	0	0	110.5	D30	L28-D30 PolarHBondContact O-N 3.32Å
29	N	94	Very high	95.9	Very high	140 Å²	140	52 Å²	52	75%	0.749	28%	0.276	S	S	*	.	S	Bend	trans	59	32.9	176.6	-51	-44.4	0	0	0	113.8
30	D	97.3	Very high	95.9	Very high	8 Å²	8	50.6 Å²	50.6	4%	0.043	27%	0.268	C	S	.	.			trans	-69.8	-39.3	173.3	-84.8	-43	0	0	0	112	L28 S58 L59 I60 S61 R63 Y65	L28-D30 PolarHBondContact O-N 3.32Å; D30-S58 CarbonylContact O-C 3.56Å; D30-S58 VanDerWaalsContact O-C 3.27Å; D30-S58 VanDerWaalsContact O-CB 3.3Å; D30-S58 WeakPolarHBondContact O-CB 3.08Å; D30-L59 PolarHBondContact O-N 3.27Å; D30-I60 PolarHBondContact O-N 2.89Å; D30-S61 PolarHBondContact O-N 3.41Å; D30-S61 WeakPolarHBondContact OD1-CB 3.48Å; D30-S61 PolarHBondContact OD1-OG 3.06Å; D30-R63 IonicContact OD1-CZ 3.09Å; D30-R63 IonicContact OD1-NH1 3.16Å; D30-R63 PolarHBondContact OD1-NH1 2.91Å; D30-R63 IonicContact OD2-NH1 2.99Å; D30-Y65 HydrophobicContact CB-CE2 4.47Å; D30-Y65 WeakPolarHBondContact OD2-CE2 3.24Å; D30-Y65 VanDerWaalsContact OD2-CZ 3.29Å; D30-Y65 PolarHBondContact OD2-OH 3.45Å
31	E	97.3	Very high	95.7	Very high	41 Å²	41	49.3 Å²	49.3	19%	0.192	27%	0.265	C	S	.	.			trans	56.7	71.2	-168.5	-166.6	84.6	-172.2	0	0	110.9	H33 L59 I60 F368 S369	E31-H33 PolarHBondContact O-N 2.65Å; E31-L59 HydrophobicContact CB-CB 4.33Å; E31-L59 HydrophobicContact CG-CB 4.2Å; E31-L59 WeakPolarHBondContact O-CB 3.39Å; E31-L59 PolarHBondContact O-N 3.07Å; E31-I60 HydrophobicContact CB-CB 3.73Å; E31-I60 HydrophobicContact CB-CG1 3.46Å; E31-I60 VanDerWaalsContact CB-CG1 3.46Å; E31-I60 HydrophobicContact CG-CG1 3.9Å; E31-F368 HydrophobicContact CG-CD2 3.99Å; E31-F368 HydrophobicContact CG-CE2 3.91Å; E31-F368 VanDerWaalsContact OE1-CD2 3.27Å; E31-F368 WeakPolarHBondContact OE1-CD2 3.2Å; E31-S369 VanDerWaalsContact CD-OG 3.25Å; E31-S369 WeakPolarHBondContact OE1-CB 2.96Å; E31-S369 PolarHBondContact OE1-N 3.03Å; E31-S369 PolarHBondContact OE1-OG 3.25Å; E31-S369 VanDerWaalsContact OE2-CB 3.26Å; E31-S369 WeakPolarHBondContact OE2-CB 3.47Å; E31-S369 PolarHBondContact OE2-OG 3.11Å
32	L	97.4	Very high	95.4	Very high	76 Å²	76	46.6 Å²	46.6	40%	0.398	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-60	133.8	169.1	-63.8	-176.8	0	0	0	109.3	M25 L56 Y65	M25-L32 HydrophobicContact CG-CD1 4.09Å; L32-L56 HydrophobicContact CD2-CB 4.28Å; L32-Y65 HydrophobicContact CD2-CD2 4.27Å
33	H	97.1	Very high	94.9	Very high	9 Å²	9	42.2 Å²	42.2	4%	0.042	24%	0.238	C	C	.	.			trans	-133.9	-90	-172.7	-149	88.9	0	0	0	110.5	E31 L59 H97 L367 H419 E420	E31-H33 PolarHBondContact O-N 2.65Å; H33-L59 HydrophobicContact CB-CB 4.12Å; H33-L59 HydrophobicContact CB-CD2 4.35Å; H33-H97 AromaticContact CD2-CD2 3.85Å; H33-H97 AromaticContact CD2-NE2 3.32Å; H33-H97 PolarHBondContact CD2-NE2 3.4Å; H33-H97 VanDerWaalsContact CD2-NE2 3.32Å; H33-H97 AromaticContact NE2-NE2 3.6Å; H33-L367 PolarHBondContact CE1-O 3.02Å; H33-L367 PolarHBondContact ND1-O 3.01Å; H33-H419 VanDerWaalsContact C-CD2 3.49Å; H33-H419 AromaticContact CD2-CD2 3.89Å; H33-H419 AromaticContact CD2-CE1 3.48Å; H33-H419 PolarHBondContact CD2-CE1 2.73Å; H33-H419 VanDerWaalsContact CD2-CE1 3.48Å; H33-H419 AromaticContact CD2-NE2 3.19Å; H33-H419 PolarHBondContact CD2-NE2 2.57Å; H33-H419 AromaticContact CE1-CE1 3.23Å; H33-H419 PolarHBondContact CE1-CE1 3.06Å; H33-H419 AromaticContact CE1-ND1 3.81Å; H33-H419 AromaticContact CE1-NE2 3.78Å; H33-H419 AromaticContact CG-CD2 3.95Å; H33-H419 AromaticContact CG-CE1 3.78Å; H33-H419 AromaticContact CG-NE2 3.66Å; H33-H419 AromaticContact ND1-CE1 3.6Å; H33-H419 AromaticContact ND1-ND1 3.86Å; H33-H419 AromaticContact ND1-NE2 3.96Å; H33-H419 AromaticContact NE2-CE1 3.14Å; H33-H419 PolarHBondContact NE2-CE1 3.36Å; H33-H419 AromaticContact NE2-NE2 3.32Å; H33-H419 PolarHBondContact NE2-NE2 3.12Å; H33-H419 PolarHBondContact O-CD2 3.21Å; H33-E420 WeakPolarHBondContact O-CB 3.28Å
34	H	97.8	Very high	94.4	Very high	3 Å²	3	48.5 Å²	48.5	1%	0.014	26%	0.263	C	S	.	.			trans	-90.8	169.4	170.6	-70.4	-83.5	0	0	0	112.7	P57 H97 E213 M351 H419 E420	H34-P57 WeakPolarHBondContact O-CD 3.48Å; H34-H97 WeakPolarHBondContact CB-O 3.28Å; H34-H97 AromaticContact CD2-CD2 3.99Å; H34-H97 AromaticContact CD2-CE1 2.95Å; H34-H97 PolarHBondContact CD2-CE1 2.81Å; H34-H97 AromaticContact CD2-CG 4Å; H34-H97 AromaticContact CD2-ND1 3.36Å; H34-H97 PolarHBondContact CD2-ND1 3.45Å; H34-H97 AromaticContact CD2-NE2 3.36Å; H34-H97 PolarHBondContact CD2-NE2 3.14Å; H34-H97 AromaticContact NE2-CE1 3.02Å; H34-H97 PolarHBondContact NE2-CE1 3.48Å; H34-H97 AromaticContact NE2-ND1 3.83Å; H34-H97 AromaticContact NE2-NE2 3.53Å; H34-E213 IonicContact CE1-OE1 3.06Å; H34-E213 PolarHBondContact CE1-OE1 3.46Å; H34-E213 IonicContact NE2-OE1 2.73Å; H34-E213 PolarHBondContact NE2-OE1 3.3Å; H34-M351 WeakPolarHBondContact CE1-CE 3.45Å; H34-H419 AromaticContact NE2-NE2 3.96Å; H34-E420 WeakPolarHBondContact CA-OE2 3.44Å; H34-E420 IonicContact CE1-OE1 3.73Å; H34-E420 IonicContact CG-OE1 3.66Å; H34-E420 IonicContact ND1-OE1 3.61Å; H34-E420 PolarHBondContact ND1-OE1 3.1Å
35	S	97	Very high	93.8	Very high	8 Å²	8	47.1 Å²	47.1	6%	0.056	27%	0.268	C	S	.	.			trans	-153.2	154.6	-177.3	65.5	0	0	0	0	110.4	I55 E420 R422	S35-I55 CarbonylContact C-O 3.47Å; S35-I55 WeakPolarHBondContact CA-O 3.42Å; S35-E420 VanDerWaalsContact CA-OE2 3.29Å; S35-E420 WeakPolarHBondContact CA-OE2 3.14Å; S35-E420 WeakPolarHBondContact CB-OE2 3.26Å; S35-E420 PolarHBondContact N-OE2 3.04Å; S35-E420 PolarHBondContact OG-OE2 2.72Å; S35-R422 PolarHBondContact O-NE 2.83Å; S35-R422 PolarHBondContact O-NH2 3.24Å; S35-R422 VanDerWaalsContact O-NH2 3.09Å; S35-R422 WeakPolarHBondContact OG-CG 3.47Å
36	G	96.7	Very high	93.3	Very high	2 Å²	2	47.6 Å²	47.6	2%	0.021	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	169.3	179	0	0	0	0	0	111.4	I55 S99	G36-I55 PolarHBondContact N-O 3.01Å; G36-I55 PolarHBondContact O-N 2.8Å; G36-S99 VanDerWaalsContact CA-OG 3.25Å; G36-S99 WeakPolarHBondContact CA-OG 3.38Å; G36-S99 PolarHBondContact N-OG 2.83Å
37	W	97.1	Very high	92.9	Very high	13 Å²	13	49.4 Å²	49.4	5%	0.049	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	148.4	177.6	-64.1	111.5	0	0	0	111.3	A39 R51 L54 V69 C101 R422 Y423	W37-A39 VanDerWaalsContact CB-O 3.31Å; W37-A39 WeakPolarHBondContact CB-O 3.27Å; W37-A39 PolarHBondContact O-N 2.83Å; W37-R51 HydrophobicContact CB-CG 4.03Å; W37-R51 HydrophobicContact CD2-CG 3.54Å; W37-R51 HydrophobicContact CE3-CG 3.51Å; W37-R51 HydrophobicContact CG-CG 3.77Å; W37-R51 HydrophobicContact CZ3-CG 4.22Å; W37-L54 HydrophobicContact CD2-CD1 4.19Å; W37-L54 HydrophobicContact CE3-CB 4.42Å; W37-L54 HydrophobicContact CE3-CD1 4Å; W37-L54 HydrophobicContact CH2-CD1 3.98Å; W37-L54 HydrophobicContact CZ2-CD1 4.16Å; W37-L54 HydrophobicContact CZ3-CB 4.02Å; W37-L54 HydrophobicContact CZ3-CD1 3.87Å; W37-V69 HydrophobicContact CH2-CG2 4.18Å; W37-V69 HydrophobicContact CZ3-CG2 3.56Å; W37-C101 WeakPolarHBondContact O-CB 3.33Å; W37-R422 HydrophobicContact CZ2-CB 4.07Å; W37-Y423 VanDerWaalsContact CZ2-O 3.24Å; W37-Y423 WeakPolarHBondContact CZ2-O 3.37Å
38	N	96.1	Very high	92.5	Very high	15 Å²	15	51.4 Å²	51.4	8%	0.08	30%	0.298	C	S	.	.	S	Bend	trans	-64.9	-27.6	170	70.4	-56.5	0	0	0	113.5	T50 N52 R53 I55 I107 F131	N38-T50 PolarHBondContact ND2-O 3.24Å; N38-T50 VanDerWaalsContact ND2-O 3.07Å; N38-T50 PolarHBondContact OD1-O 3.29Å; N38-N52 PolarHBondContact ND2-OD1 3.43Å; N38-N52 PolarHBondContact OD1-N 3.01Å; N38-N52 VanDerWaalsContact OD1-N 3.13Å; N38-R53 HydrophobicContact CB-CB 3.9Å; N38-R53 PolarHBondContact N-O 3.24Å; N38-R53 PolarHBondContact OD1-N 3.3Å; N38-R53 PolarHBondContact OD1-O 3.23Å; N38-I55 HydrophobicContact CB-CD1 4.38Å; N38-I107 HydrophobicContact CB-CD1 3.93Å; N38-I107 HydrophobicContact CB-CG1 4.48Å; N38-F131 HydrophobicContact CB-CE1 4.04Å
39	A	93.6	Very high	92.2	Very high	4 Å²	4	47 Å²	47	3%	0.033	27%	0.27	C	S	.	.	S	Bend	trans	-144.9	145.5	178.4	0	0	0	0	0	110.2	W37 R49 R51	W37-A39 VanDerWaalsContact CB-O 3.31Å; W37-A39 WeakPolarHBondContact CB-O 3.27Å; W37-A39 PolarHBondContact O-N 2.83Å; A39-R49 HydrophobicContact CB-CB 4.19Å; A39-R51 WeakPolarHBondContact O-CB 3.43Å; A39-R51 PolarHBondContact O-NE 2.68Å
40	C	91.4	Very high	92.1	Very high	13 Å²	13	44.3 Å²	44.3	9%	0.088	26%	0.259	C	S	.	.			trans	-151.3	-168.2	-178.2	54.1	0	0	0	0	110.5	S42 C43 C101	C40-S42 PolarHBondContact O-N 2.5Å; C40-S42 PolarHBondContact SG-OG 3.46Å; C40-C43 WeakPolarHBondContact O-CB 3.43Å; C40-C43 PolarHBondContact O-N 2.93Å; C40-C101 HydrophobicContact CB-CB 4.31Å; C40-C101 WeakPolarHBondContact CB-SG 3.44Å; C40-C101 WeakPolarHBondContact SG-CB 3.29Å; C40-C101 CovalentContact SG-SG 2.03Å; C40-C101 PolarHBondContact SG-SG 3.18Å
41	S	89.5	Confident	92	Very high	38 Å²	38	47 Å²	47	27%	0.266	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-54.5	-21.4	178.4	-61.5	0	0	0	0	114.3	C43 F44 D431 I432	S41-C43 PolarHBondContact O-N 3.28Å; S41-F44 VanDerWaalsContact O-CB 3.29Å; S41-F44 WeakPolarHBondContact O-CB 3.3Å; S41-F44 PolarHBondContact O-N 2.87Å; S41-F44 VanDerWaalsContact O-N 3.14Å; S41-D431 VanDerWaalsContact CB-OD1 3.3Å; S41-D431 WeakPolarHBondContact CB-OD1 3.4Å; S41-D431 PolarHBondContact N-OD1 2.92Å; S41-D431 PolarHBondContact OG-OD1 2.82Å; S41-I432 CarbonylContact C-O 3.58Å
42	S	87.3	Confident	91.9	Very high	4 Å²	4	47 Å²	47	3%	0.028	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-65.8	-20.8	174.1	66.5	0	0	0	0	113.1	C40 C101 A103 I432	C40-S42 PolarHBondContact O-N 2.5Å; C40-S42 PolarHBondContact SG-OG 3.46Å; S42-C101 PolarHBondContact OG-O 2.98Å; S42-A103 WeakPolarHBondContact O-CB 3.36Å; S42-I432 WeakPolarHBondContact CA-O 3.29Å; S42-I432 PolarHBondContact N-O 2.76Å
43	C	86.4	Confident	91.9	Very high	11 Å²	11	45 Å²	45	7%	0.074	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-91.5	12.9	176	-51.4	0	0	0	0	113.2	C40 S41 G45 D46 R49	C40-C43 WeakPolarHBondContact O-CB 3.43Å; C40-C43 PolarHBondContact O-N 2.93Å; S41-C43 PolarHBondContact O-N 3.28Å; C43-G45 PolarHBondContact O-N 3.22Å; C43-D46 PolarHBondContact O-N 2.92Å; C43-R49 HydrophobicContact CB-CB 3.96Å; C43-R49 HydrophobicContact CB-CG 4.16Å
44	F	84.7	Confident	92	Very high	186 Å²	186	45.9 Å²	45.9	82%	0.816	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-33.2	-171.7	177.5	-100.5	0	0	0	114.9	S41	S41-F44 VanDerWaalsContact O-CB 3.29Å; S41-F44 WeakPolarHBondContact O-CB 3.3Å; S41-F44 PolarHBondContact O-N 2.87Å; S41-F44 VanDerWaalsContact O-N 3.14Å
45	G	83.1	Confident	92	Very high	75 Å²	75	45.8 Å²	45.8	77%	0.773	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-7.7	179.3	0	0	0	0	0	115.8	C43	C43-G45 PolarHBondContact O-N 3.22Å
46	D	86.6	Confident	92.1	Very high	50 Å²	50	46.6 Å²	46.6	27%	0.267	27%	0.265	S	S	.	.			trans	-114.3	99.7	-176.4	-174.1	-7.9	0	0	0	111	C43 T48 R49	C43-D46 PolarHBondContact O-N 2.92Å; D46-T48 PolarHBondContact O-N 2.74Å; D46-T48 VanDerWaalsContact O-N 3.16Å; D46-T48 WeakPolarHBondContact OD1-CB 3.3Å; D46-T48 PolarHBondContact OD1-N 2.75Å; D46-T48 PolarHBondContact OD1-OG1 3.28Å; D46-T48 PolarHBondContact OD2-OG1 2.68Å; D46-R49 HydrophobicContact CB-CG 3.89Å; D46-R49 PolarHBondContact O-N 2.85Å; D46-R49 VanDerWaalsContact OD2-CG 3.28Å; D46-R49 WeakPolarHBondContact OD2-CG 3.39Å; D46-R49 IonicContact OD2-NE 2.76Å; D46-R49 PolarHBondContact OD2-NE 3.45Å; D46-R49 VanDerWaalsContact OD2-NE 3.17Å
47	P	87.5	Confident	92.1	Very high	124 Å²	124	46.6 Å²	46.6	81%	0.805	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-9.5	-177.8	31.2	-36.5	0	0	0	113.3	R49	P47-R49 VanDerWaalsContact C-N 3.3Å
48	T	89.3	Confident	92.2	Very high	105 Å²	105	46 Å²	46	64%	0.644	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-15	177.1	73	0	0	0	0	112.2	D46	D46-T48 PolarHBondContact O-N 2.74Å; D46-T48 VanDerWaalsContact O-N 3.16Å; D46-T48 WeakPolarHBondContact OD1-CB 3.3Å; D46-T48 PolarHBondContact OD1-N 2.75Å; D46-T48 PolarHBondContact OD1-OG1 3.28Å; D46-T48 PolarHBondContact OD2-OG1 2.68Å
49	R	90.3	Very high	92.2	Very high	63 Å²	63	45.5 Å²	45.5	24%	0.238	26%	0.26	C	S	.	.			trans	-85.7	137.6	-179.7	-58.9	-64.2	173.6	-166.5	-3.3	110.6	A39 C43 D46 P47 E129	A39-R49 HydrophobicContact CB-CB 4.19Å; C43-R49 HydrophobicContact CB-CB 3.96Å; C43-R49 HydrophobicContact CB-CG 4.16Å; D46-R49 HydrophobicContact CB-CG 3.89Å; D46-R49 PolarHBondContact O-N 2.85Å; D46-R49 VanDerWaalsContact OD2-CG 3.28Å; D46-R49 WeakPolarHBondContact OD2-CG 3.39Å; D46-R49 IonicContact OD2-NE 2.76Å; D46-R49 PolarHBondContact OD2-NE 3.45Å; D46-R49 VanDerWaalsContact OD2-NE 3.17Å; P47-R49 VanDerWaalsContact C-N 3.3Å; R49-E129 IonicContact CZ-OE1 2.74Å; R49-E129 IonicContact NH1-OE1 3.19Å; R49-E129 PolarHBondContact NH1-OE1 2.93Å; R49-E129 IonicContact NH2-OE1 2.95Å; R49-E129 PolarHBondContact NH2-OE1 3.48Å
50	T	91.9	Very high	92.4	Very high	83 Å²	83	48 Å²	48	51%	0.509	27%	0.272	S	S	.	.			trans	-136.4	132.4	178.3	-59.5	0	0	0	0	109.3	N38 N52	N38-T50 PolarHBondContact ND2-O 3.24Å; N38-T50 VanDerWaalsContact ND2-O 3.07Å; N38-T50 PolarHBondContact OD1-O 3.29Å; T50-N52 HydrophobicContact CG2-CB 4.13Å; T50-N52 PolarHBondContact O-N 3.39Å; T50-N52 PolarHBondContact O-OD1 3.22Å
51	R	94.4	Very high	92.7	Very high	63 Å²	63	48.3 Å²	48.3	24%	0.238	27%	0.274	C	S	.	.			trans	-70.1	97.5	167.9	179.7	-177.5	-66.2	156.9	-6.8	109.2	W37 A39 G425 G426 D431	W37-R51 HydrophobicContact CB-CG 4.03Å; W37-R51 HydrophobicContact CD2-CG 3.54Å; W37-R51 HydrophobicContact CE3-CG 3.51Å; W37-R51 HydrophobicContact CG-CG 3.77Å; W37-R51 HydrophobicContact CZ3-CG 4.22Å; A39-R51 WeakPolarHBondContact O-CB 3.43Å; A39-R51 PolarHBondContact O-NE 2.68Å; R51-G425 PolarHBondContact NH1-O 2.97Å; R51-G426 VanDerWaalsContact NH1-CA 3.28Å; R51-D431 IonicContact CZ-OD1 3.71Å; R51-D431 IonicContact CZ-OD2 3.24Å; R51-D431 IonicContact NH2-OD1 3.36Å; R51-D431 PolarHBondContact NH2-OD1 3.07Å; R51-D431 IonicContact NH2-OD2 3.41Å; R51-D431 PolarHBondContact NH2-OD2 2.92Å
52	N	95.6	Very high	93.1	Very high	43 Å²	43	46.6 Å²	46.6	23%	0.23	26%	0.262	C	S	.	.			trans	-146.4	-0.1	-177.6	64.5	1.5	0	0	0	113.7	N38 T50 V69 G70	N38-N52 PolarHBondContact ND2-OD1 3.43Å; N38-N52 PolarHBondContact OD1-N 3.01Å; N38-N52 VanDerWaalsContact OD1-N 3.13Å; T50-N52 HydrophobicContact CG2-CB 4.13Å; T50-N52 PolarHBondContact O-N 3.39Å; T50-N52 PolarHBondContact O-OD1 3.22Å; N52-V69 WeakPolarHBondContact O-CG2 3.38Å; N52-V69 PolarHBondContact O-N 3.27Å; N52-G70 PolarHBondContact O-N 3.32Å
53	R	97.4	Very high	93.6	Very high	32 Å²	32	47.6 Å²	47.6	12%	0.121	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131.6	172.4	-55	-64.8	175.6	-105.6	9.3	110.6	N38 I55 V66 I67 D68 F131	N38-R53 HydrophobicContact CB-CB 3.9Å; N38-R53 PolarHBondContact N-O 3.24Å; N38-R53 PolarHBondContact OD1-N 3.3Å; N38-R53 PolarHBondContact OD1-O 3.23Å; R53-I55 HydrophobicContact CB-CD1 4.46Å; R53-V66 HydrophobicContact CB-CG1 3.89Å; R53-V66 HydrophobicContact CG-CG1 4.06Å; R53-I67 CarbonylContact C-O 3.18Å; R53-I67 WeakPolarHBondContact CA-O 2.92Å; R53-D68 IonicContact CZ-OD1 3.99Å; R53-D68 IonicContact CZ-OD2 3.56Å; R53-D68 IonicContact NH1-OD1 3.78Å; R53-D68 PolarHBondContact NH1-OD1 3.12Å; R53-D68 IonicContact NH1-OD2 2.71Å; R53-D68 IonicContact NH2-OD1 3.92Å; R53-D68 IonicContact NH2-OD2 3.84Å; R53-F131 HydrophobicContact CB-CE1 4.4Å; R53-F131 HydrophobicContact CB-CZ 4.2Å; R53-F131 HydrophobicContact CG-CE1 4.3Å; R53-F131 HydrophobicContact CG-CE2 4.24Å; R53-F131 HydrophobicContact CG-CZ 3.62Å
54	L	97.9	Very high	94.2	Very high	29 Å²	29	47 Å²	47	15%	0.152	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	128.4	167.9	-170.2	72.9	0	0	0	108.3	W37 L56 I67 V69 R422	W37-L54 HydrophobicContact CD2-CD1 4.19Å; W37-L54 HydrophobicContact CE3-CB 4.42Å; W37-L54 HydrophobicContact CE3-CD1 4Å; W37-L54 HydrophobicContact CH2-CD1 3.98Å; W37-L54 HydrophobicContact CZ2-CD1 4.16Å; W37-L54 HydrophobicContact CZ3-CB 4.02Å; W37-L54 HydrophobicContact CZ3-CD1 3.87Å; L54-L56 HydrophobicContact CD2-CD2 3.77Å; L54-L56 HydrophobicContact CD2-CG 4.27Å; L54-L56 HydrophobicContact CG-CD2 4Å; L54-L56 HydrophobicContact CG-CG 4.37Å; L54-I67 HydrophobicContact CB-CB 4.25Å; L54-I67 PolarHBondContact N-O 2.85Å; L54-I67 PolarHBondContact O-N 2.79Å; L54-V69 HydrophobicContact CB-CG1 4.25Å; L54-R422 HydrophobicContact CD1-CB 4.21Å; L54-R422 HydrophobicContact CD1-CG 4.17Å
55	I	98.5	Very high	94.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	122.7	178.9	-48.9	-56.1	0	0	0	106.9	S35 G36 N38 R53 P57 I64 V66 I107 I109 F131	S35-I55 CarbonylContact C-O 3.47Å; S35-I55 WeakPolarHBondContact CA-O 3.42Å; G36-I55 PolarHBondContact N-O 3.01Å; G36-I55 PolarHBondContact O-N 2.8Å; N38-I55 HydrophobicContact CB-CD1 4.38Å; R53-I55 HydrophobicContact CB-CD1 4.46Å; I55-P57 WeakPolarHBondContact O-CD 3.46Å; I55-I64 HydrophobicContact CG2-CG2 3.72Å; I55-V66 HydrophobicContact CD1-CG1 4Å; I55-V66 HydrophobicContact CD1-CG2 4.17Å; I55-I107 HydrophobicContact CD1-CD1 3.69Å; I55-I107 HydrophobicContact CG1-CD1 3.94Å; I55-I107 HydrophobicContact CG1-CG1 4.48Å; I55-I107 HydrophobicContact CG1-CG2 4.21Å; I55-I107 HydrophobicContact CG2-CG2 4.36Å; I55-I109 HydrophobicContact CG2-CD1 4Å; I55-F131 HydrophobicContact CD1-CD1 4.14Å; I55-F131 HydrophobicContact CD1-CE1 4.08Å
56	L	98.3	Very high	95.6	Very high	26 Å²	26	34.6 Å²	34.6	14%	0.136	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	87.7	-176.9	-63.7	-177.3	0	0	0	110	L32 L54 I64 Y65 I67	L32-L56 HydrophobicContact CD2-CB 4.28Å; L54-L56 HydrophobicContact CD2-CD2 3.77Å; L54-L56 HydrophobicContact CD2-CG 4.27Å; L54-L56 HydrophobicContact CG-CD2 4Å; L54-L56 HydrophobicContact CG-CG 4.37Å; L56-I64 WeakPolarHBondContact O-CA 3.38Å; L56-Y65 PolarHBondContact N-O 2.89Å; L56-Y65 PolarHBondContact O-N 3.24Å; L56-I67 HydrophobicContact CD1-CD1 4.18Å; L56-I67 HydrophobicContact CD1-CG1 3.53Å; L56-I67 HydrophobicContact CG-CG1 4.03Å
57	P	98.3	Very high	96.2	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	136.4	164.7	-22.6	36.2	0	0	0	111.7	H34 I55 P96 H97 I109	H34-P57 WeakPolarHBondContact O-CD 3.48Å; I55-P57 WeakPolarHBondContact O-CD 3.46Å; P57-P96 HydrophobicContact CB-CB 3.91Å; P57-P96 HydrophobicContact CB-CG 3.96Å; P57-H97 WeakPolarHBondContact CG-O 3.2Å; P57-I109 HydrophobicContact CB-CG2 4.23Å; P57-I109 HydrophobicContact CG-CD1 4.44Å; P57-I109 HydrophobicContact CG-CG2 3.72Å
58	S	98.1	Very high	96.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-105.8	107.7	177.4	-62	0	0	0	0	108.6	D30 I60 S61 S62 R63	D30-S58 CarbonylContact O-C 3.56Å; D30-S58 VanDerWaalsContact O-C 3.27Å; D30-S58 VanDerWaalsContact O-CB 3.3Å; D30-S58 WeakPolarHBondContact O-CB 3.08Å; S58-I60 VanDerWaalsContact C-N 3.32Å; S58-I60 PolarHBondContact O-N 2.68Å; S58-S61 WeakPolarHBondContact CB-OG 3.49Å; S58-S62 VanDerWaalsContact O-CA 3.32Å; S58-S62 WeakPolarHBondContact O-CA 3.47Å; S58-S62 PolarHBondContact O-N 2.86Å; S58-R63 WeakPolarHBondContact CB-O 3.34Å; S58-R63 PolarHBondContact N-O 3.31Å; S58-R63 PolarHBondContact OG-O 2.65Å
59	L	97.1	Very high	97.1	Very high	5 Å²	5	23.7 Å²	23.7	3%	0.026	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-35.9	-165.2	-178.5	58.3	0	0	0	112.8	D30 E31 H33 N95 H97 M112 W164 F368	D30-L59 PolarHBondContact O-N 3.27Å; E31-L59 HydrophobicContact CB-CB 4.33Å; E31-L59 HydrophobicContact CG-CB 4.2Å; E31-L59 WeakPolarHBondContact O-CB 3.39Å; E31-L59 PolarHBondContact O-N 3.07Å; H33-L59 HydrophobicContact CB-CB 4.12Å; H33-L59 HydrophobicContact CB-CD2 4.35Å; L59-N95 HydrophobicContact CD1-CB 4.14Å; L59-N95 VanDerWaalsContact O-CA 3.27Å; L59-N95 WeakPolarHBondContact O-CA 3.29Å; L59-N95 WeakPolarHBondContact O-CB 3.39Å; L59-N95 PolarHBondContact O-ND2 2.9Å; L59-H97 HydrophobicContact CD1-CB 4.38Å; L59-M112 HydrophobicContact CD1-CG 4.44Å; L59-M112 HydrophobicContact CD1-SD 3.72Å; L59-W164 HydrophobicContact CD2-CZ3 4.4Å; L59-F368 HydrophobicContact CD2-CD2 3.96Å; L59-F368 HydrophobicContact CD2-CE2 4.08Å
60	I	96.4	Very high	97.3	Very high	56 Å²	56	22.6 Å²	22.6	29%	0.287	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-46.6	-176.8	-70.1	-61.7	0	0	0	112.1	D30 E31 S58 S62 V171 F368	D30-I60 PolarHBondContact O-N 2.89Å; E31-I60 HydrophobicContact CB-CB 3.73Å; E31-I60 HydrophobicContact CB-CG1 3.46Å; E31-I60 VanDerWaalsContact CB-CG1 3.46Å; E31-I60 HydrophobicContact CG-CG1 3.9Å; S58-I60 VanDerWaalsContact C-N 3.32Å; S58-I60 PolarHBondContact O-N 2.68Å; I60-S62 VanDerWaalsContact C-N 3.27Å; I60-S62 PolarHBondContact O-N 2.95Å; I60-V171 HydrophobicContact CD1-CG2 4.03Å; I60-F368 HydrophobicContact CD1-CE2 3.85Å; I60-F368 HydrophobicContact CD1-CZ 3.86Å; I60-F368 HydrophobicContact CG1-CE2 4.03Å; I60-F368 HydrophobicContact CG1-CZ 4.43Å
61	S	97.6	Very high	97.5	Very high	21 Å²	21	24.1 Å²	24.1	15%	0.147	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-19.5	-177.3	68.6	0	0	0	0	113.3	D30 S58 R63 P84 Y88	D30-S61 PolarHBondContact O-N 3.41Å; D30-S61 WeakPolarHBondContact OD1-CB 3.48Å; D30-S61 PolarHBondContact OD1-OG 3.06Å; S58-S61 WeakPolarHBondContact CB-OG 3.49Å; S61-R63 PolarHBondContact O-N 2.84Å; S61-R63 WeakPolarHBondContact OG-CB 2.89Å; S61-R63 PolarHBondContact OG-N 3.12Å; S61-P84 WeakPolarHBondContact O-CB 3.24Å; S61-P84 WeakPolarHBondContact O-CG 3.32Å; S61-Y88 PolarHBondContact O-OH 3.23Å
62	S	98.4	Very high	97.5	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.007	14%	0.144	C	C	.	.			trans	64.3	16.7	-168.8	-46.3	0	0	0	0	115.6	S58 I60 Y88 N95 P96	S58-S62 VanDerWaalsContact O-CA 3.32Å; S58-S62 WeakPolarHBondContact O-CA 3.47Å; S58-S62 PolarHBondContact O-N 2.86Å; I60-S62 VanDerWaalsContact C-N 3.27Å; I60-S62 PolarHBondContact O-N 2.95Å; S62-Y88 WeakPolarHBondContact CB-OH 3.22Å; S62-Y88 PolarHBondContact OG-OH 3.3Å; S62-N95 PolarHBondContact OG-N 3.27Å; S62-P96 VanDerWaalsContact CA-CD 3.46Å
63	R	98.6	Very high	97.4	Very high	25 Å²	25	27.7 Å²	27.7	9%	0.094	16%	0.162	C	C	.	.			trans	-77.9	153.3	171.8	-174.7	171.7	-73	103.2	4.6	110.2	N27 D30 S58 S61 Y65 T81 V82 E83 P84	N27-R63 PolarHBondContact ND2-NE 2.95Å; D30-R63 IonicContact OD1-CZ 3.09Å; D30-R63 IonicContact OD1-NH1 3.16Å; D30-R63 PolarHBondContact OD1-NH1 2.91Å; D30-R63 IonicContact OD2-NH1 2.99Å; S58-R63 WeakPolarHBondContact CB-O 3.34Å; S58-R63 PolarHBondContact N-O 3.31Å; S58-R63 PolarHBondContact OG-O 2.65Å; S61-R63 PolarHBondContact O-N 2.84Å; S61-R63 WeakPolarHBondContact OG-CB 2.89Å; S61-R63 PolarHBondContact OG-N 3.12Å; R63-Y65 VanDerWaalsContact CD-CE1 3.42Å; R63-Y65 WeakPolarHBondContact CD-OH 3.5Å; R63-Y65 HydrophobicContact CG-CD2 4.48Å; R63-Y65 HydrophobicContact CG-CE1 4.18Å; R63-Y65 HydrophobicContact CG-CE2 4.15Å; R63-T81 VanDerWaalsContact CD-CG2 3.41Å; R63-T81 HydrophobicContact CG-CG2 3.57Å; R63-V82 WeakPolarHBondContact CG-O 3.25Å; R63-E83 IonicContact CZ-OE2 2.92Å; R63-E83 IonicContact NE-OE1 3.57Å; R63-E83 PolarHBondContact NE-OE1 2.9Å; R63-E83 IonicContact NE-OE2 2.62Å; R63-E83 PolarHBondContact NE-OE2 2.88Å; R63-E83 IonicContact NH2-OE1 3.9Å; R63-E83 IonicContact NH2-OE2 3.03Å; R63-E83 PolarHBondContact NH2-OE2 2.79Å; R63-P84 HydrophobicContact CB-CG 4.23Å
64	I	98.8	Very high	97.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	124.3	167.8	-56.6	156.4	0	0	0	108.3	I55 L56 V82 L87 P96 I109 L126	I55-I64 HydrophobicContact CG2-CG2 3.72Å; L56-I64 WeakPolarHBondContact O-CA 3.38Å; I64-V82 HydrophobicContact CB-CB 4.12Å; I64-V82 PolarHBondContact N-O 2.78Å; I64-V82 PolarHBondContact O-N 2.92Å; I64-L87 HydrophobicContact CD1-CD1 4.15Å; I64-L87 HydrophobicContact CD1-CD2 4.03Å; I64-P96 HydrophobicContact CG1-CG 4.2Å; I64-I109 HydrophobicContact CD1-CD1 3.52Å; I64-I109 HydrophobicContact CG1-CD1 4.24Å; I64-I109 HydrophobicContact CG2-CD1 4.23Å; I64-L126 HydrophobicContact CD1-CD1 4.32Å; I64-L126 HydrophobicContact CD1-CD2 4.4Å; I64-L126 HydrophobicContact CG2-CD1 4.26Å
65	Y	98.8	Very high	97.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	132.8	171.3	-60.2	-77.6	0	0	0	110.3	M25 P26 N27 D30 L32 L56 R63 I78 T81	M25-Y65 HydrophobicContact CB-CE2 4.2Å; M25-Y65 HydrophobicContact CG-CD2 4.34Å; M25-Y65 HydrophobicContact CG-CE2 3.95Å; M25-Y65 HydrophobicContact SD-CD1 4.01Å; M25-Y65 HydrophobicContact SD-CD2 3.47Å; M25-Y65 WeakPolarHBondContact SD-CD2 3.15Å; M25-Y65 HydrophobicContact SD-CE1 4.12Å; M25-Y65 HydrophobicContact SD-CE2 3.58Å; M25-Y65 VanDerWaalsContact SD-CE2 3.58Å; M25-Y65 HydrophobicContact SD-CG 3.67Å; P26-Y65 HydrophobicContact CG-CE1 3.7Å; N27-Y65 PolarHBondContact ND2-OH 2.71Å; N27-Y65 VanDerWaalsContact ND2-OH 3.12Å; D30-Y65 HydrophobicContact CB-CE2 4.47Å; D30-Y65 WeakPolarHBondContact OD2-CE2 3.24Å; D30-Y65 VanDerWaalsContact OD2-CZ 3.29Å; D30-Y65 PolarHBondContact OD2-OH 3.45Å; L32-Y65 HydrophobicContact CD2-CD2 4.27Å; L56-Y65 PolarHBondContact N-O 2.89Å; L56-Y65 PolarHBondContact O-N 3.24Å; R63-Y65 VanDerWaalsContact CD-CE1 3.42Å; R63-Y65 WeakPolarHBondContact CD-OH 3.5Å; R63-Y65 HydrophobicContact CG-CD2 4.48Å; R63-Y65 HydrophobicContact CG-CE1 4.18Å; R63-Y65 HydrophobicContact CG-CE2 4.15Å; Y65-I78 HydrophobicContact CD1-CD1 4.42Å; Y65-T81 HydrophobicContact CD1-CG2 3.92Å; Y65-T81 HydrophobicContact CE1-CG2 3.81Å
66	V	98.7	Very high	97.1	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	117.1	171	-175.9	0	0	0	0	107.1	R53 I55 H79 K80 F131	R53-V66 HydrophobicContact CB-CG1 3.89Å; R53-V66 HydrophobicContact CG-CG1 4.06Å; I55-V66 HydrophobicContact CD1-CG1 4Å; I55-V66 HydrophobicContact CD1-CG2 4.17Å; V66-H79 HydrophobicContact CG1-CB 4.3Å; V66-H79 WeakPolarHBondContact O-CA 3.35Å; V66-H79 WeakPolarHBondContact O-CB 3.36Å; V66-H79 PolarHBondContact O-N 3.2Å; V66-K80 HydrophobicContact CB-CB 4.15Å; V66-K80 HydrophobicContact CG2-CB 4.38Å; V66-K80 PolarHBondContact N-O 2.88Å; V66-K80 PolarHBondContact O-N 3.27Å; V66-F131 HydrophobicContact CB-CG 4.43Å; V66-F131 HydrophobicContact CG1-CD1 3.88Å; V66-F131 HydrophobicContact CG1-CD2 3.99Å; V66-F131 HydrophobicContact CG1-CE1 3.93Å; V66-F131 HydrophobicContact CG1-CE2 4.05Å; V66-F131 HydrophobicContact CG1-CG 3.93Å; V66-F131 HydrophobicContact CG1-CZ 4.04Å; V66-F131 HydrophobicContact CG2-CB 3.82Å; V66-F131 HydrophobicContact CG2-CD1 3.98Å; V66-F131 HydrophobicContact CG2-CG 3.85Å
67	I	98.5	Very high	97.1	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.026	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	123.7	-173.1	-51	-51.5	0	0	0	109.7	L23 M25 R53 L54 L56 V69 P76 R77 I78	L23-I67 HydrophobicContact CD2-CD1 3.81Å; L23-I67 HydrophobicContact CD2-CG1 4.35Å; L23-I67 HydrophobicContact CD2-CG2 3.64Å; M25-I67 HydrophobicContact CE-CD1 4.38Å; R53-I67 CarbonylContact C-O 3.18Å; R53-I67 WeakPolarHBondContact CA-O 2.92Å; L54-I67 HydrophobicContact CB-CB 4.25Å; L54-I67 PolarHBondContact N-O 2.85Å; L54-I67 PolarHBondContact O-N 2.79Å; L56-I67 HydrophobicContact CD1-CD1 4.18Å; L56-I67 HydrophobicContact CD1-CG1 3.53Å; L56-I67 HydrophobicContact CG-CG1 4.03Å; I67-V69 HydrophobicContact CG2-CG1 4.25Å; I67-V69 PolarHBondContact O-N 3.45Å; I67-P76 HydrophobicContact CG2-CB 3.56Å; I67-R77 CarbonylContact C-O 3.52Å; I67-R77 WeakPolarHBondContact CA-O 3.23Å; I67-R77 WeakPolarHBondContact CG2-O 3.19Å; I67-I78 HydrophobicContact CD1-CB 4.47Å; I67-I78 HydrophobicContact CD1-CG1 3.87Å
68	D	98	Very high	97.1	Very high	20 Å²	20	42.3 Å²	42.3	11%	0.107	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	115.5	169	-174.7	-0.2	0	0	0	110.5	R53 G70 T71 P76 R77 H79	R53-D68 IonicContact CZ-OD1 3.99Å; R53-D68 IonicContact CZ-OD2 3.56Å; R53-D68 IonicContact NH1-OD1 3.78Å; R53-D68 PolarHBondContact NH1-OD1 3.12Å; R53-D68 IonicContact NH1-OD2 2.71Å; R53-D68 IonicContact NH2-OD1 3.92Å; R53-D68 IonicContact NH2-OD2 3.84Å; D68-G70 PolarHBondContact OD1-N 2.87Å; D68-T71 PolarHBondContact OD1-N 2.93Å; D68-T71 PolarHBondContact OD1-OG1 2.91Å; D68-T71 VanDerWaalsContact OD2-CB 3.31Å; D68-T71 WeakPolarHBondContact OD2-CB 3.45Å; D68-T71 PolarHBondContact OD2-OG1 2.89Å; D68-P76 VanDerWaalsContact O-CA 3.26Å; D68-P76 WeakPolarHBondContact O-CA 3.4Å; D68-R77 PolarHBondContact N-O 3.23Å; D68-R77 PolarHBondContact O-N 3.06Å; D68-R77 VanDerWaalsContact O-N 3.12Å; D68-H79 HydrophobicContact CB-CB 4.2Å
69	V	96.6	Very high	97.1	Very high	24 Å²	24	46.6 Å²	46.6	15%	0.145	24%	0.244	C	C	.	.			trans	-115.5	-1.6	171.1	-56.9	0	0	0	0	112.4	W37 N52 L54 I67 P73 P76	W37-V69 HydrophobicContact CH2-CG2 4.18Å; W37-V69 HydrophobicContact CZ3-CG2 3.56Å; N52-V69 WeakPolarHBondContact O-CG2 3.38Å; N52-V69 PolarHBondContact O-N 3.27Å; L54-V69 HydrophobicContact CB-CG1 4.25Å; I67-V69 HydrophobicContact CG2-CG1 4.25Å; I67-V69 PolarHBondContact O-N 3.45Å; V69-P73 WeakPolarHBondContact O-CA 3.29Å; V69-P73 WeakPolarHBondContact O-CB 3.08Å; V69-P73 VanDerWaalsContact O-CG 3.25Å; V69-P73 WeakPolarHBondContact O-CG 3.21Å; V69-P76 HydrophobicContact CG1-CB 4.02Å; V69-P76 HydrophobicContact CG1-CG 4.01Å
70	G	95.2	Very high	97.2	Very high	41 Å²	41	49.1 Å²	49.1	42%	0.423	25%	0.254	S	S	.	.	S	Bend	trans	-85.5	-37.9	-177.4	0	0	0	0	0	112.8	N52 D68	N52-G70 PolarHBondContact O-N 3.32Å; D68-G70 PolarHBondContact OD1-N 2.87Å
71	T	95.7	Very high	97.3	Very high	114 Å²	114	48.5 Å²	48.5	70%	0.699	25%	0.253	S	S	*	.	S	Bend	trans	-68.7	-48.9	-178.3	-57.8	0	0	0	0	111.4	D68	D68-T71 PolarHBondContact OD1-N 2.93Å; D68-T71 PolarHBondContact OD1-OG1 2.91Å; D68-T71 VanDerWaalsContact OD2-CB 3.31Å; D68-T71 WeakPolarHBondContact OD2-CB 3.45Å; D68-T71 PolarHBondContact OD2-OG1 2.89Å
72	E	95.4	Very high	97.3	Very high	90 Å²	90	47.6 Å²	47.6	42%	0.421	25%	0.247	S	C	.	.			trans	-140.7	84.7	179	-168.3	172.5	-152.1	0	0	109.7	R74 S75 R77	E72-R74 PolarHBondContact O-N 2.93Å; E72-S75 CarbonylContact O-C 3.02Å; E72-S75 PolarHBondContact O-N 2.82Å; E72-S75 WeakPolarHBondContact OE2-CB 3.22Å; E72-R77 IonicContact OE2-CZ 3.02Å; E72-R77 IonicContact OE2-NE 3.81Å; E72-R77 IonicContact OE2-NH2 3.67Å; E72-R77 PolarHBondContact OE2-NH2 2.82Å
73	P	92.7	Very high	97.3	Very high	92 Å²	92	51 Å²	51	60%	0.597	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.2	-171.5	-23.8	29.3	0	0	0	115.5	V69	V69-P73 WeakPolarHBondContact O-CA 3.29Å; V69-P73 WeakPolarHBondContact O-CB 3.08Å; V69-P73 VanDerWaalsContact O-CG 3.25Å; V69-P73 WeakPolarHBondContact O-CG 3.21Å
74	R	94.3	Very high	97.3	Very high	141 Å²	141	50.5 Å²	50.5	53%	0.532	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-7.3	177.8	-65.5	-176.5	68.2	145.7	3.2	113.5	T15 I20 H21 E72	T15-R74 PolarHBondContact OG1-NH2 2.83Å; I20-R74 HydrophobicContact CD1-CB 4.09Å; I20-R74 HydrophobicContact CD1-CG 4.09Å; H21-R74 VanDerWaalsContact CB-O 3.22Å; H21-R74 WeakPolarHBondContact CB-O 3.38Å; E72-R74 PolarHBondContact O-N 2.93Å
75	S	96.4	Very high	97.3	Very high	25 Å²	25	54.5 Å²	54.5	18%	0.175	28%	0.283	C	S	.	.	S	Bend	trans	-141.8	68.5	176.2	-177.3	0	0	0	0	110.2	H21 E72	H21-S75 PolarHBondContact CE1-OG 3.02Å; H21-S75 PolarHBondContact ND1-OG 2.94Å; E72-S75 CarbonylContact O-C 3.02Å; E72-S75 PolarHBondContact O-N 2.82Å; E72-S75 WeakPolarHBondContact OE2-CB 3.22Å
76	P	97.1	Very high	97.2	Very high	26 Å²	26	57.6 Å²	57.6	17%	0.169	30%	0.3	C	S	.	.			trans	-56.8	152.7	178.9	-27	35	0	0	0	113.8	H21 L23 I67 D68 V69	H21-P76 VanDerWaalsContact CD2-CD 3.47Å; H21-P76 WeakPolarHBondContact CD2-CD 3.47Å; H21-P76 PolarHBondContact NE2-O 3.45Å; H21-P76 VanDerWaalsContact NE2-O 3.07Å; L23-P76 HydrophobicContact CD2-CB 4.42Å; I67-P76 HydrophobicContact CG2-CB 3.56Å; D68-P76 VanDerWaalsContact O-CA 3.26Å; D68-P76 WeakPolarHBondContact O-CA 3.4Å; V69-P76 HydrophobicContact CG1-CB 4.02Å; V69-P76 HydrophobicContact CG1-CG 4.01Å
77	R	98.1	Very high	97.2	Very high	143 Å²	143	57.6 Å²	57.6	54%	0.54	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	150.4	-177.8	-60	175.4	-169.1	-105.7	-1.6	110.8	I67 D68 E72 H79	I67-R77 CarbonylContact C-O 3.52Å; I67-R77 WeakPolarHBondContact CA-O 3.23Å; I67-R77 WeakPolarHBondContact CG2-O 3.19Å; D68-R77 PolarHBondContact N-O 3.23Å; D68-R77 PolarHBondContact O-N 3.06Å; D68-R77 VanDerWaalsContact O-N 3.12Å; E72-R77 IonicContact OE2-CZ 3.02Å; E72-R77 IonicContact OE2-NE 3.81Å; E72-R77 IonicContact OE2-NH2 3.67Å; E72-R77 PolarHBondContact OE2-NH2 2.82Å; R77-H79 PolarHBondContact O-N 2.77Å
78	I	98.6	Very high	97.2	Very high	60 Å²	60	60.6 Å²	60.6	31%	0.308	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	121.7	172.6	-61.2	173.2	0	0	0	108.1	L23 M25 P26 Y65 I67	L23-I78 HydrophobicContact CD1-CG1 4.36Å; L23-I78 HydrophobicContact CD2-CG1 4.11Å; L23-I78 HydrophobicContact CG-CG1 4.4Å; M25-I78 HydrophobicContact CE-CD1 4.26Å; M25-I78 HydrophobicContact CE-CG1 4.38Å; M25-I78 HydrophobicContact SD-CD1 4.46Å; P26-I78 HydrophobicContact CG-CD1 4.18Å; Y65-I78 HydrophobicContact CD1-CD1 4.42Å; I67-I78 HydrophobicContact CD1-CB 4.47Å; I67-I78 HydrophobicContact CD1-CG1 3.87Å
79	H	98.4	Very high	97.2	Very high	90 Å²	90	69.6 Å²	69.6	42%	0.417	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-45.2	173.3	180	62.4	0	0	0	110.7	V66 D68 R77 F131	V66-H79 HydrophobicContact CG1-CB 4.3Å; V66-H79 WeakPolarHBondContact O-CA 3.35Å; V66-H79 WeakPolarHBondContact O-CB 3.36Å; V66-H79 PolarHBondContact O-N 3.2Å; D68-H79 HydrophobicContact CB-CB 4.2Å; R77-H79 PolarHBondContact O-N 2.77Å; H79-F131 AromaticContact CD2-CD2 3.91Å; H79-F131 AromaticContact CD2-CE2 3.75Å; H79-F131 AromaticContact NE2-CE2 3.83Å
80	K	98.3	Very high	97.2	Very high	57 Å²	57	73.5 Å²	73.5	25%	0.248	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	152.7	-179.6	178.1	159	170.3	168.6	0	110.7	V66 T130 F131 E132	V66-K80 HydrophobicContact CB-CB 4.15Å; V66-K80 HydrophobicContact CG2-CB 4.38Å; V66-K80 PolarHBondContact N-O 2.88Å; V66-K80 PolarHBondContact O-N 3.27Å; K80-T130 VanDerWaalsContact CD-O 3.29Å; K80-T130 WeakPolarHBondContact CD-O 3.37Å; K80-T130 WeakPolarHBondContact CE-O 3.32Å; K80-T130 PolarHBondContact NZ-O 2.85Å; K80-F131 HydrophobicContact CD-CB 4.16Å; K80-E132 IonicContact NZ-OE1 3.17Å
81	T	98.6	Very high	97.4	Very high	43 Å²	43	72 Å²	72	26%	0.264	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127.7	168.9	-55.4	0	0	0	0	108.1	R63 Y65 E83	R63-T81 VanDerWaalsContact CD-CG2 3.41Å; R63-T81 HydrophobicContact CG-CG2 3.57Å; Y65-T81 HydrophobicContact CD1-CG2 3.92Å; Y65-T81 HydrophobicContact CE1-CG2 3.81Å; T81-E83 VanDerWaalsContact CG2-OE1 3.27Å; T81-E83 WeakPolarHBondContact CG2-OE1 3.26Å
82	V	98.6	Very high	97.5	Very high	2 Å²	2	67.7 Å²	67.7	1%	0.012	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	117.1	168	-178.3	0	0	0	0	107	R63 I64 D86 L87 F131 V133	R63-V82 WeakPolarHBondContact CG-O 3.25Å; I64-V82 HydrophobicContact CB-CB 4.12Å; I64-V82 PolarHBondContact N-O 2.78Å; I64-V82 PolarHBondContact O-N 2.92Å; V82-D86 HydrophobicContact CG1-CB 4.26Å; V82-L87 HydrophobicContact CG1-CD1 3.63Å; V82-F131 VanDerWaalsContact CG2-O 3.29Å; V82-F131 WeakPolarHBondContact CG2-O 3.26Å; V82-V133 HydrophobicContact CG1-CG2 3.53Å
83	E	98.5	Very high	97.6	Very high	72 Å²	72	63.4 Å²	63.4	34%	0.336	30%	0.3	S	S	.	.			trans	-79.1	148.2	-176.4	-71.4	-60.4	150.5	0	0	111	R63 T81 I85 D86	R63-E83 IonicContact CZ-OE2 2.92Å; R63-E83 IonicContact NE-OE1 3.57Å; R63-E83 PolarHBondContact NE-OE1 2.9Å; R63-E83 IonicContact NE-OE2 2.62Å; R63-E83 PolarHBondContact NE-OE2 2.88Å; R63-E83 IonicContact NH2-OE1 3.9Å; R63-E83 IonicContact NH2-OE2 3.03Å; R63-E83 PolarHBondContact NH2-OE2 2.79Å; T81-E83 VanDerWaalsContact CG2-OE1 3.27Å; T81-E83 WeakPolarHBondContact CG2-OE1 3.26Å; E83-I85 HydrophobicContact CB-CG2 4.17Å; E83-I85 PolarHBondContact O-N 2.87Å; E83-D86 WeakPolarHBondContact O-CB 3.21Å; E83-D86 PolarHBondContact O-N 3.39Å
84	P	98.4	Very high	97.9	Very high	15 Å²	15	59.1 Å²	59.1	10%	0.097	27%	0.272	C	S	.	.	H	α-helix	trans	-53	-33.6	-176.8	-27.7	34.9	0	0	0	113.9	S61 R63 D86 L87 Y88	S61-P84 WeakPolarHBondContact O-CB 3.24Å; S61-P84 WeakPolarHBondContact O-CG 3.32Å; R63-P84 HydrophobicContact CB-CG 4.23Å; P84-D86 PolarHBondContact O-N 3Å; P84-L87 PolarHBondContact O-N 2.99Å; P84-L87 VanDerWaalsContact O-N 3.1Å; P84-Y88 HydrophobicContact CB-CD2 4.41Å; P84-Y88 HydrophobicContact CB-CE1 4.13Å; P84-Y88 HydrophobicContact CB-CE2 3.7Å; P84-Y88 WeakPolarHBondContact O-CD1 3.27Å; P84-Y88 PolarHBondContact O-N 3.36Å
85	I	98.2	Very high	98.1	Very high	85 Å²	85	53.2 Å²	53.2	44%	0.436	25%	0.251	S	S	.	.	H	α-helix	trans	-59.9	-30.5	-178.1	-156.8	51.8	0	0	0	112.4	E83 Y88 W89	E83-I85 HydrophobicContact CB-CG2 4.17Å; E83-I85 PolarHBondContact O-N 2.87Å; I85-Y88 HydrophobicContact CD1-CD2 4.35Å; I85-Y88 PolarHBondContact O-N 3.22Å; I85-W89 VanDerWaalsContact CD1-CD1 3.48Å; I85-W89 VanDerWaalsContact CG1-CD1 3.48Å; I85-W89 PolarHBondContact O-N 2.69Å
86	D	98.1	Very high	98.2	Very high	64 Å²	64	52 Å²	52	34%	0.342	24%	0.243	S	C	.	.	H	α-helix	trans	-69	-42.1	177.2	-67.3	-38.6	0	0	0	111.1	V82 E83 P84 K90 V133	V82-D86 HydrophobicContact CG1-CB 4.26Å; E83-D86 WeakPolarHBondContact O-CB 3.21Å; E83-D86 PolarHBondContact O-N 3.39Å; P84-D86 PolarHBondContact O-N 3Å; D86-K90 WeakPolarHBondContact O-CB 3.42Å; D86-K90 WeakPolarHBondContact O-CG 3.49Å; D86-K90 PolarHBondContact O-N 3.11Å; D86-V133 HydrophobicContact CB-CB 4.46Å; D86-V133 HydrophobicContact CB-CG2 3.94Å
87	L	98.1	Very high	98.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.5	-43.2	175.7	-73.8	69.9	0	0	0	110.2	I64 V82 P84 W89 C91 G92 P96 V124 V133	I64-L87 HydrophobicContact CD1-CD1 4.15Å; I64-L87 HydrophobicContact CD1-CD2 4.03Å; V82-L87 HydrophobicContact CG1-CD1 3.63Å; P84-L87 PolarHBondContact O-N 2.99Å; P84-L87 VanDerWaalsContact O-N 3.1Å; L87-W89 PolarHBondContact O-N 3.08Å; L87-C91 CarbonylContact O-C 3.54Å; L87-C91 WeakPolarHBondContact O-CA 3.28Å; L87-C91 WeakPolarHBondContact O-CB 3.28Å; L87-C91 PolarHBondContact O-N 3.45Å; L87-G92 PolarHBondContact O-N 3.06Å; L87-G92 VanDerWaalsContact O-N 3.14Å; L87-P96 HydrophobicContact CD2-CB 4.32Å; L87-P96 HydrophobicContact CD2-CG 4.17Å; L87-V124 HydrophobicContact CD2-CG2 4.33Å; L87-V124 HydrophobicContact CG-CG2 4.27Å; L87-V133 HydrophobicContact CD1-CG2 3.94Å
88	Y	98.3	Very high	98.3	Very high	69 Å²	69	44.2 Å²	44.2	27%	0.271	21%	0.21	S	C	.	.	H	α-helix	trans	-62.7	-48.3	-177.6	-59.1	-13.5	0	0	0	111.5	S61 S62 P84 I85 G92 L93 A94 P115	S61-Y88 PolarHBondContact O-OH 3.23Å; S62-Y88 WeakPolarHBondContact CB-OH 3.22Å; S62-Y88 PolarHBondContact OG-OH 3.3Å; P84-Y88 HydrophobicContact CB-CD2 4.41Å; P84-Y88 HydrophobicContact CB-CE1 4.13Å; P84-Y88 HydrophobicContact CB-CE2 3.7Å; P84-Y88 WeakPolarHBondContact O-CD1 3.27Å; P84-Y88 PolarHBondContact O-N 3.36Å; I85-Y88 HydrophobicContact CD1-CD2 4.35Å; I85-Y88 PolarHBondContact O-N 3.22Å; Y88-G92 VanDerWaalsContact O-CA 3.22Å; Y88-G92 WeakPolarHBondContact O-CA 3.35Å; Y88-G92 PolarHBondContact O-N 3.47Å; Y88-L93 VanDerWaalsContact CD1-O 3.31Å; Y88-L93 WeakPolarHBondContact CD1-O 3.26Å; Y88-A94 HydrophobicContact CD1-CB 4.26Å; Y88-A94 HydrophobicContact CE1-CB 3.65Å; Y88-P115 HydrophobicContact CD1-CB 4.12Å; Y88-P115 HydrophobicContact CD1-CG 3.67Å; Y88-P115 HydrophobicContact CD2-CB 4.47Å; Y88-P115 HydrophobicContact CE1-CB 4.44Å; Y88-P115 HydrophobicContact CE1-CG 4.35Å; Y88-P115 HydrophobicContact CG-CB 4.13Å; Y88-P115 HydrophobicContact CG-CG 3.82Å
89	W	97.4	Very high	98.3	Very high	209 Å²	209	41.4 Å²	41.4	79%	0.792	20%	0.196	S	C	*	.	H	α-helix	trans	-79.5	-39.9	-176.2	-71.7	121.9	0	0	0	113.9	I85 L87	I85-W89 VanDerWaalsContact CD1-CD1 3.48Å; I85-W89 VanDerWaalsContact CG1-CD1 3.48Å; I85-W89 PolarHBondContact O-N 2.69Å; L87-W89 PolarHBondContact O-N 3.08Å
90	K	97.7	Very high	98.2	Very high	106 Å²	106	37.4 Å²	37.4	46%	0.461	18%	0.178	S	C	.	.	H	α-helix	trans	-81.2	-30.6	-177.4	-63.1	-173.2	-176.9	-173.2	0	112.3	D86 V133	D86-K90 WeakPolarHBondContact O-CB 3.42Å; D86-K90 WeakPolarHBondContact O-CG 3.49Å; D86-K90 PolarHBondContact O-N 3.11Å; K90-V133 HydrophobicContact CB-CG1 3.95Å; K90-V133 HydrophobicContact CD-CB 3.91Å; K90-V133 HydrophobicContact CD-CG1 3.81Å; K90-V133 WeakPolarHBondContact CD-O 3.18Å; K90-V133 HydrophobicContact CG-CG1 4.49Å; K90-V133 PolarHBondContact NZ-O 2.81Å
91	C	98.1	Very high	98	Very high	10 Å²	10	34.7 Å²	34.7	7%	0.068	17%	0.166	C	C	.	.	H	α-helix	trans	-119.7	-22.2	-170.5	-58.6	0	0	0	0	114.5	L87 L93 V124 G135 N136	L87-C91 CarbonylContact O-C 3.54Å; L87-C91 WeakPolarHBondContact O-CA 3.28Å; L87-C91 WeakPolarHBondContact O-CB 3.28Å; L87-C91 PolarHBondContact O-N 3.45Å; C91-L93 HydrophobicContact CB-CB 4.06Å; C91-L93 HydrophobicContact CB-CD1 4.12Å; C91-L93 HydrophobicContact CB-CG 4.05Å; C91-L93 PolarHBondContact O-N 2.81Å; C91-V124 HydrophobicContact CB-CG2 4.1Å; C91-G135 VanDerWaalsContact SG-C 3.53Å; C91-N136 WeakPolarHBondContact CA-OD1 3.43Å; C91-N136 WeakPolarHBondContact CB-OD1 3.34Å; C91-N136 PolarHBondContact O-ND2 2.98Å; C91-N136 PolarHBondContact O-OD1 3.08Å; C91-N136 PolarHBondContact SG-OD1 2.96Å
92	G	98.3	Very high	97.8	Very high	23 Å²	23	32.9 Å²	32.9	24%	0.237	16%	0.155	C	C	.	.	S	Bend	trans	58.5	33.8	-170	0	0	0	0	0	111.9	L87 Y88 K120	L87-G92 PolarHBondContact O-N 3.06Å; L87-G92 VanDerWaalsContact O-N 3.14Å; Y88-G92 VanDerWaalsContact O-CA 3.22Å; Y88-G92 WeakPolarHBondContact O-CA 3.35Å; Y88-G92 PolarHBondContact O-N 3.47Å; G92-K120 PolarHBondContact O-NZ 3.14Å
93	L	98.6	Very high	97.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.178	C	C	.	.			trans	-124	151.6	-178.8	-67.1	178	0	0	0	110	Y88 C91 C111 G113 K120 V124 N136	Y88-L93 VanDerWaalsContact CD1-O 3.31Å; Y88-L93 WeakPolarHBondContact CD1-O 3.26Å; C91-L93 HydrophobicContact CB-CB 4.06Å; C91-L93 HydrophobicContact CB-CD1 4.12Å; C91-L93 HydrophobicContact CB-CG 4.05Å; C91-L93 PolarHBondContact O-N 2.81Å; L93-C111 HydrophobicContact CB-CB 3.88Å; L93-C111 HydrophobicContact CD1-CB 4.12Å; L93-C111 HydrophobicContact CD2-CB 4.29Å; L93-C111 HydrophobicContact CG-CB 4.31Å; L93-G113 CarbonylContact C-O 3.27Å; L93-G113 WeakPolarHBondContact CA-O 3.45Å; L93-K120 HydrophobicContact CD2-CD 3.92Å; L93-K120 HydrophobicContact CD2-CG 4.01Å; L93-V124 HydrophobicContact CB-CG2 4.27Å; L93-V124 HydrophobicContact CD1-CG2 3.87Å; L93-N136 WeakPolarHBondContact CD1-ND2 3.17Å
94	A	98.5	Very high	97.1	Very high	2 Å²	2	35.8 Å²	35.8	2%	0.017	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	171.6	179.4	0	0	0	0	0	110	Y88 C111 M112 G113	Y88-A94 HydrophobicContact CD1-CB 4.26Å; Y88-A94 HydrophobicContact CE1-CB 3.65Å; A94-C111 WeakPolarHBondContact O-CB 3.26Å; A94-M112 PolarHBondContact O-N 3.19Å; A94-G113 PolarHBondContact N-O 3.1Å; A94-G113 PolarHBondContact O-N 3.08Å
95	N	98.5	Very high	96.8	Very high	16 Å²	16	35.2 Å²	35.2	9%	0.086	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	56.2	62.1	178.6	-53.8	97	0	0	0	112.2	L59 S62 C111 M112 P167	L59-N95 HydrophobicContact CD1-CB 4.14Å; L59-N95 VanDerWaalsContact O-CA 3.27Å; L59-N95 WeakPolarHBondContact O-CA 3.29Å; L59-N95 WeakPolarHBondContact O-CB 3.39Å; L59-N95 PolarHBondContact O-ND2 2.9Å; S62-N95 PolarHBondContact OG-N 3.27Å; N95-C111 WeakPolarHBondContact O-CA 3.37Å; N95-M112 HydrophobicContact CB-CB 4.04Å; N95-M112 PolarHBondContact O-N 2.95Å; N95-P167 HydrophobicContact CB-CG 4.06Å; N95-P167 WeakPolarHBondContact OD1-CB 3.43Å; N95-P167 VanDerWaalsContact OD1-CG 3.23Å; N95-P167 WeakPolarHBondContact OD1-CG 2.95Å
96	P	98.7	Very high	96.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	141.1	178.4	35.2	-35.8	0	0	0	110.3	P57 S62 I64 L87 I109 S110	P57-P96 HydrophobicContact CB-CB 3.91Å; P57-P96 HydrophobicContact CB-CG 3.96Å; S62-P96 VanDerWaalsContact CA-CD 3.46Å; I64-P96 HydrophobicContact CG1-CG 4.2Å; L87-P96 HydrophobicContact CD2-CB 4.32Å; L87-P96 HydrophobicContact CD2-CG 4.17Å; P96-I109 HydrophobicContact CB-CG2 3.74Å; P96-S110 CarbonylContact C-O 3.54Å; P96-S110 WeakPolarHBondContact CA-O 3.49Å
97	H	98.6	Very high	96.7	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	-94.2	-167.2	-169.8	-90.1	0	0	0	111.6	H33 H34 P57 L59 S110 M112 Y148	H33-H97 AromaticContact CD2-CD2 3.85Å; H33-H97 AromaticContact CD2-NE2 3.32Å; H33-H97 PolarHBondContact CD2-NE2 3.4Å; H33-H97 VanDerWaalsContact CD2-NE2 3.32Å; H33-H97 AromaticContact NE2-NE2 3.6Å; H34-H97 WeakPolarHBondContact CB-O 3.28Å; H34-H97 AromaticContact CD2-CD2 3.99Å; H34-H97 AromaticContact CD2-CE1 2.95Å; H34-H97 PolarHBondContact CD2-CE1 2.81Å; H34-H97 AromaticContact CD2-CG 4Å; H34-H97 AromaticContact CD2-ND1 3.36Å; H34-H97 PolarHBondContact CD2-ND1 3.45Å; H34-H97 AromaticContact CD2-NE2 3.36Å; H34-H97 PolarHBondContact CD2-NE2 3.14Å; H34-H97 AromaticContact NE2-CE1 3.02Å; H34-H97 PolarHBondContact NE2-CE1 3.48Å; H34-H97 AromaticContact NE2-ND1 3.83Å; H34-H97 AromaticContact NE2-NE2 3.53Å; P57-H97 WeakPolarHBondContact CG-O 3.2Å; L59-H97 HydrophobicContact CD1-CB 4.38Å; H97-S110 PolarHBondContact N-O 3.07Å; H97-M112 HydrophobicContact CB-CG 4.32Å; H97-Y148 AromaticContact CD2-CE2 3.95Å; H97-Y148 AromaticContact CE1-CD2 3.68Å; H97-Y148 AromaticContact CE1-CE1 3.8Å; H97-Y148 AromaticContact CE1-CE2 3.18Å; H97-Y148 WeakPolarHBondContact CE1-CE2 3.26Å; H97-Y148 AromaticContact CE1-CZ 3.26Å; H97-Y148 PolarHBondContact ND1-O 3.28Å; H97-Y148 AromaticContact NE2-CD2 3.69Å; H97-Y148 AromaticContact NE2-CE2 3.06Å; H97-Y148 WeakPolarHBondContact NE2-CE2 3.33Å; H97-Y148 AromaticContact NE2-CZ 3.55Å
98	T	98.5	Very high	96.7	Very high	4 Å²	4	30.4 Å²	30.4	3%	0.025	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	140.4	-177.6	-51.5	0	0	0	0	110	H100 I109 S110 D149 F150	T98-H100 WeakPolarHBondContact CG2-NE2 3.28Å; T98-I109 CarbonylContact O-C 3.6Å; T98-I109 WeakPolarHBondContact O-CA 3.37Å; T98-I109 WeakPolarHBondContact O-CG2 3.27Å; T98-S110 WeakPolarHBondContact CB-OG 3.48Å; T98-S110 PolarHBondContact N-OG 3.28Å; T98-S110 PolarHBondContact O-N 3.43Å; T98-S110 PolarHBondContact O-OG 2.96Å; T98-D149 VanDerWaalsContact CB-OD1 3.24Å; T98-D149 WeakPolarHBondContact CB-OD1 3.2Å; T98-D149 WeakPolarHBondContact CG2-OD1 3.43Å; T98-D149 PolarHBondContact OG1-OD1 3.22Å; T98-F150 HydrophobicContact CG2-CD1 4.47Å; T98-F150 HydrophobicContact CG2-CE1 4.28Å
99	S	97.8	Very high	96.7	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.014	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	133.6	173.3	65.6	0	0	0	0	112.5	G36 M108	G36-S99 VanDerWaalsContact CA-OG 3.25Å; G36-S99 WeakPolarHBondContact CA-OG 3.38Å; G36-S99 PolarHBondContact N-OG 2.83Å; S99-M108 CarbonylContact C-O 3.59Å; S99-M108 WeakPolarHBondContact CA-O 3.36Å
100	H	97.5	Very high	96.8	Very high	5 Å²	5	17.3 Å²	17.3	2%	0.023	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	137.1	175	-71.9	-71.5	0	0	0	111.5	T98 M108 F150 Y152	T98-H100 WeakPolarHBondContact CG2-NE2 3.28Å; H100-M108 PolarHBondContact N-O 3.21Å; H100-M108 PolarHBondContact O-N 3.41Å; H100-F150 HydrophobicContact CB-CE2 4.08Å; H100-F150 HydrophobicContact CB-CZ 3.92Å; H100-F150 AromaticContact CD2-CE2 3.78Å; H100-F150 AromaticContact CD2-CZ 3.66Å; H100-F150 PolarHBondContact NE2-O 3.42Å; H100-Y152 HydrophobicContact CB-CE1 4.12Å
101	C	93.9	Very high	96.9	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.007	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	139.4	165.4	26.3	0	0	0	0	110.8	W37 C40 S42 Y152	W37-C101 WeakPolarHBondContact O-CB 3.33Å; C40-C101 HydrophobicContact CB-CB 4.31Å; C40-C101 WeakPolarHBondContact CB-SG 3.44Å; C40-C101 WeakPolarHBondContact SG-CB 3.29Å; C40-C101 CovalentContact SG-SG 2.03Å; C40-C101 PolarHBondContact SG-SG 3.18Å; S42-C101 PolarHBondContact OG-O 2.98Å; C101-Y152 PolarHBondContact O-OH 3.28Å
102	L	94.3	Very high	96.9	Very high	5 Å²	5	11.9 Å²	11.9	3%	0.026	8%	0.083	C	C	.	.			trans	-106.6	154.2	175.9	-54.3	-164.8	0	0	0	111.6	S104 G105 Q106 M108 L125 Y152 W193	L102-S104 PolarHBondContact O-N 3.16Å; L102-S104 VanDerWaalsContact O-N 3.17Å; L102-G105 PolarHBondContact O-N 3.22Å; L102-Q106 VanDerWaalsContact CB-O 3.32Å; L102-Q106 WeakPolarHBondContact CB-O 3.11Å; L102-Q106 HydrophobicContact CD1-CB 4.4Å; L102-Q106 WeakPolarHBondContact CG-O 3.36Å; L102-Q106 PolarHBondContact N-O 3.45Å; L102-M108 HydrophobicContact CD1-CB 4.09Å; L102-M108 HydrophobicContact CD2-CB 3.87Å; L102-M108 HydrophobicContact CG-CB 4.11Å; L102-L125 HydrophobicContact CD1-CD2 3.96Å; L102-Y152 HydrophobicContact CD2-CD1 4.35Å; L102-Y152 HydrophobicContact CD2-CE1 3.56Å; L102-W193 HydrophobicContact CD1-CH2 4.12Å; L102-W193 HydrophobicContact CD1-CZ2 4.48Å; L102-W193 HydrophobicContact CD2-CH2 3.64Å; L102-W193 HydrophobicContact CD2-CZ2 4.21Å; L102-W193 HydrophobicContact CG-CH2 4.45Å
103	A	90.1	Very high	96.8	Very high	59 Å²	59	10.8 Å²	10.8	49%	0.488	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.5	172.5	0	0	0	0	0	113.1	S42 G105	S42-A103 WeakPolarHBondContact O-CB 3.36Å; A103-G105 PolarHBondContact O-N 3.37Å
104	S	90.9	Very high	96.8	Very high	75 Å²	75	14.6 Å²	14.6	52%	0.524	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-10.4	172.4	62.2	0	0	0	0	113.6	L102 Q106	L102-S104 PolarHBondContact O-N 3.16Å; L102-S104 VanDerWaalsContact O-N 3.17Å; S104-Q106 VanDerWaalsContact C-N 3.28Å; S104-Q106 PolarHBondContact OG-N 3.13Å
105	G	92.2	Very high	96.7	Very high	4 Å²	4	17.7 Å²	17.7	4%	0.041	11%	0.109	C	C	.	.	S	Bend	trans	87.7	-12	-171.2	0	0	0	0	0	113.7	L102 A103 G128	L102-G105 PolarHBondContact O-N 3.22Å; A103-G105 PolarHBondContact O-N 3.37Å; G105-G128 WeakPolarHBondContact O-CA 3.41Å
106	Q	96.4	Very high	96.6	Very high	48 Å²	48	20.9 Å²	20.9	22%	0.224	14%	0.138	C	C	.	.			trans	-73.3	164.9	173.6	-65.4	179.6	-61.3	0	0	111.6	L102 S104 L126	L102-Q106 VanDerWaalsContact CB-O 3.32Å; L102-Q106 WeakPolarHBondContact CB-O 3.11Å; L102-Q106 HydrophobicContact CD1-CB 4.4Å; L102-Q106 WeakPolarHBondContact CG-O 3.36Å; L102-Q106 PolarHBondContact N-O 3.45Å; S104-Q106 VanDerWaalsContact C-N 3.28Å; S104-Q106 PolarHBondContact OG-N 3.13Å; Q106-L126 WeakPolarHBondContact CA-O 3.42Å; Q106-L126 WeakPolarHBondContact CB-O 3.3Å
107	I	98.4	Very high	96.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128.5	172.5	-61.6	144.9	0	0	0	107.9	N38 I55 I109 L125 L126 F131	N38-I107 HydrophobicContact CB-CD1 3.93Å; N38-I107 HydrophobicContact CB-CG1 4.48Å; I55-I107 HydrophobicContact CD1-CD1 3.69Å; I55-I107 HydrophobicContact CG1-CD1 3.94Å; I55-I107 HydrophobicContact CG1-CG1 4.48Å; I55-I107 HydrophobicContact CG1-CG2 4.21Å; I55-I107 HydrophobicContact CG2-CG2 4.36Å; I107-I109 HydrophobicContact CG2-CD1 4.4Å; I107-I109 HydrophobicContact CG2-CG1 4.04Å; I107-L125 WeakPolarHBondContact O-CA 3.49Å; I107-L126 HydrophobicContact CB-CB 4.29Å; I107-L126 PolarHBondContact N-O 3.37Å; I107-L126 PolarHBondContact O-N 2.96Å; I107-F131 HydrophobicContact CD1-CD1 3.74Å; I107-F131 HydrophobicContact CD1-CE1 3.69Å
108	M	98.6	Very high	96.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	137.9	174.9	-168.7	161.9	75.8	0	0	110.5	S99 H100 L102 F123 V124 L125 W137 F150 M159 W193	S99-M108 CarbonylContact C-O 3.59Å; S99-M108 WeakPolarHBondContact CA-O 3.36Å; H100-M108 PolarHBondContact N-O 3.21Å; H100-M108 PolarHBondContact O-N 3.41Å; L102-M108 HydrophobicContact CD1-CB 4.09Å; L102-M108 HydrophobicContact CD2-CB 3.87Å; L102-M108 HydrophobicContact CG-CB 4.11Å; M108-F123 HydrophobicContact CE-CD1 4.47Å; M108-F123 HydrophobicContact CG-CB 3.76Å; M108-F123 HydrophobicContact CG-CG 4.46Å; M108-F123 HydrophobicContact SD-CB 3.89Å; M108-F123 HydrophobicContact SD-CG 4.26Å; M108-V124 CarbonylContact C-O 3.6Å; M108-V124 WeakPolarHBondContact CA-O 3.17Å; M108-L125 HydrophobicContact CB-CD2 3.83Å; M108-L125 HydrophobicContact CG-CD2 3.89Å; M108-L125 HydrophobicContact SD-CD2 4.16Å; M108-W137 HydrophobicContact SD-CB 3.62Å; M108-W137 HydrophobicContact SD-CD2 3.74Å; M108-W137 HydrophobicContact SD-CE3 4.39Å; M108-W137 HydrophobicContact SD-CG 3.36Å; M108-F150 HydrophobicContact CB-CE2 4.45Å; M108-F150 HydrophobicContact CB-CZ 4.06Å; M108-F150 HydrophobicContact CE-CD2 3.48Å; M108-F150 VanDerWaalsContact CE-CD2 3.48Å; M108-F150 HydrophobicContact CE-CE2 3.07Å; M108-F150 HydrophobicContact CE-CG 4.41Å; M108-F150 HydrophobicContact CE-CZ 3.69Å; M108-F150 HydrophobicContact CG-CE2 4.4Å; M108-F150 HydrophobicContact CG-CZ 4.06Å; M108-M159 HydrophobicContact CE-SD 3.52Å; M108-M159 VanDerWaalsContact CE-SD 3.52Å; M108-W193 HydrophobicContact CE-CH2 4.22Å; M108-W193 HydrophobicContact CE-CZ3 3.84Å
109	I	98.9	Very high	96.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	122.9	-176.7	-50.7	174.5	0	0	0	108.7	I55 P57 I64 P96 T98 I107 F123 V124 L126	I55-I109 HydrophobicContact CG2-CD1 4Å; P57-I109 HydrophobicContact CB-CG2 4.23Å; P57-I109 HydrophobicContact CG-CD1 4.44Å; P57-I109 HydrophobicContact CG-CG2 3.72Å; I64-I109 HydrophobicContact CD1-CD1 3.52Å; I64-I109 HydrophobicContact CG1-CD1 4.24Å; I64-I109 HydrophobicContact CG2-CD1 4.23Å; P96-I109 HydrophobicContact CB-CG2 3.74Å; T98-I109 CarbonylContact O-C 3.6Å; T98-I109 WeakPolarHBondContact O-CA 3.37Å; T98-I109 WeakPolarHBondContact O-CG2 3.27Å; I107-I109 HydrophobicContact CG2-CD1 4.4Å; I107-I109 HydrophobicContact CG2-CG1 4.04Å; I109-F123 CarbonylContact O-C 3.57Å; I109-F123 VanDerWaalsContact O-CA 3.27Å; I109-F123 WeakPolarHBondContact O-CA 3.41Å; I109-V124 PolarHBondContact N-O 3.37Å; I109-V124 PolarHBondContact O-N 3.42Å; I109-L126 HydrophobicContact CD1-CD1 3.71Å; I109-L126 HydrophobicContact CD1-CG 3.96Å
110	S	98.9	Very high	96.5	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.014	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	148.7	173.6	53.8	0	0	0	0	110.9	P96 H97 T98 G122 Y148	P96-S110 CarbonylContact C-O 3.54Å; P96-S110 WeakPolarHBondContact CA-O 3.49Å; H97-S110 PolarHBondContact N-O 3.07Å; T98-S110 WeakPolarHBondContact CB-OG 3.48Å; T98-S110 PolarHBondContact N-OG 3.28Å; T98-S110 PolarHBondContact O-N 3.43Å; T98-S110 PolarHBondContact O-OG 2.96Å; S110-G122 CarbonylContact C-O 2.97Å; S110-Y148 VanDerWaalsContact CB-O 3.31Å; S110-Y148 WeakPolarHBondContact CB-O 3.36Å; S110-Y148 PolarHBondContact OG-O 3.36Å
111	C	98.8	Very high	96.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	141.2	174.4	-69.9	0	0	0	0	109.8	L93 A94 N95 G122	L93-C111 HydrophobicContact CB-CB 3.88Å; L93-C111 HydrophobicContact CD1-CB 4.12Å; L93-C111 HydrophobicContact CD2-CB 4.29Å; L93-C111 HydrophobicContact CG-CB 4.31Å; A94-C111 WeakPolarHBondContact O-CB 3.26Å; N95-C111 WeakPolarHBondContact O-CA 3.37Å; C111-G122 PolarHBondContact N-O 2.56Å; C111-G122 PolarHBondContact O-N 3.42Å
112	M	98.4	Very high	96.7	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.015	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-23.3	-177.2	-63.2	-171	48.8	0	0	114	L59 A94 N95 H97 K120 G147 Y148 W164 P167 L170	L59-M112 HydrophobicContact CD1-CG 4.44Å; L59-M112 HydrophobicContact CD1-SD 3.72Å; A94-M112 PolarHBondContact O-N 3.19Å; N95-M112 HydrophobicContact CB-CB 4.04Å; N95-M112 PolarHBondContact O-N 2.95Å; H97-M112 HydrophobicContact CB-CG 4.32Å; M112-K120 CarbonylContact C-O 3.57Å; M112-K120 PolarHBondContact O-N 2.83Å; M112-G147 WeakPolarHBondContact CG-O 3.25Å; M112-Y148 HydrophobicContact SD-CD2 4.27Å; M112-W164 HydrophobicContact CE-CB 3.78Å; M112-W164 HydrophobicContact CE-CD2 3.79Å; M112-W164 HydrophobicContact CE-CE3 3.33Å; M112-W164 HydrophobicContact CE-CG 4Å; M112-W164 HydrophobicContact CE-CZ3 4.14Å; M112-W164 HydrophobicContact SD-CE3 3.69Å; M112-W164 HydrophobicContact SD-CZ3 4.2Å; M112-P167 HydrophobicContact CB-CG 4.23Å; M112-L170 HydrophobicContact CE-CD1 3.38Å
113	G	97.6	Very high	97	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	-179.8	-171	0	0	0	0	0	115.6	L93 A94 G118 K120	L93-G113 CarbonylContact C-O 3.27Å; L93-G113 WeakPolarHBondContact CA-O 3.45Å; A94-G113 PolarHBondContact N-O 3.1Å; A94-G113 PolarHBondContact O-N 3.08Å; G113-G118 WeakPolarHBondContact CA-O 3.47Å; G113-K120 PolarHBondContact N-O 2.96Å
114	E	97.2	Very high	97.4	Very high	79 Å²	79	22.5 Å²	22.5	37%	0.369	15%	0.147	S	C	.	.			trans	-96.6	164.5	168.5	64.1	179.5	175.7	0	0	110.6	A116 G117 G118 K120	E114-A116 HydrophobicContact CG-CB 4.3Å; E114-A116 PolarHBondContact O-N 3.23Å; E114-G117 WeakPolarHBondContact O-CA 3.48Å; E114-G117 PolarHBondContact O-N 2.78Å; E114-G118 PolarHBondContact N-O 2.8Å; E114-G118 VanDerWaalsContact N-O 3.12Å; E114-K120 HydrophobicContact CB-CB 4.25Å; E114-K120 HydrophobicContact CB-CD 3.97Å
115	P	97.3	Very high	97.7	Very high	67 Å²	67	19.4 Å²	19.4	44%	0.435	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-23.7	-177.7	-27.8	35.9	0	0	0	115.1	Y88 G117	Y88-P115 HydrophobicContact CD1-CB 4.12Å; Y88-P115 HydrophobicContact CD1-CG 3.67Å; Y88-P115 HydrophobicContact CD2-CB 4.47Å; Y88-P115 HydrophobicContact CE1-CB 4.44Å; Y88-P115 HydrophobicContact CE1-CG 4.35Å; Y88-P115 HydrophobicContact CG-CB 4.13Å; Y88-P115 HydrophobicContact CG-CG 3.82Å; P115-G117 PolarHBondContact O-N 3.46Å
116	A	96.6	Very high	98	Very high	83 Å²	83	19.2 Å²	19.2	69%	0.686	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-1.3	175.2	0	0	0	0	0	113.9	E114 G118	E114-A116 HydrophobicContact CG-CB 4.3Å; E114-A116 PolarHBondContact O-N 3.23Å; A116-G118 VanDerWaalsContact C-N 3.34Å
117	G	96.3	Very high	98.1	Very high	12 Å²	12	19.4 Å²	19.4	12%	0.124	13%	0.126	C	C	.	.	S	Bend	trans	80.1	9.3	-179.4	0	0	0	0	0	114.8	E114 P115 P167 K168	E114-G117 WeakPolarHBondContact O-CA 3.48Å; E114-G117 PolarHBondContact O-N 2.78Å; P115-G117 PolarHBondContact O-N 3.46Å; G117-P167 WeakPolarHBondContact O-CD 3.3Å; G117-K168 WeakPolarHBondContact O-CB 3.21Å; G117-K168 VanDerWaalsContact O-CG 3.26Å; G117-K168 WeakPolarHBondContact O-CG 3.45Å; G117-K168 PolarHBondContact O-N 3.35Å
118	G	97.9	Very high	97.9	Very high	8 Å²	8	19.8 Å²	19.8	8%	0.082	13%	0.13	C	C	.	.			trans	-70.9	159.2	168.9	0	0	0	0	0	112.1	G113 E114 A116	G113-G118 WeakPolarHBondContact CA-O 3.47Å; E114-G118 PolarHBondContact N-O 2.8Å; E114-G118 VanDerWaalsContact N-O 3.12Å; A116-G118 VanDerWaalsContact C-N 3.34Å
119	G	97.9	Very high	97.7	Very high	28 Å²	28	25.9 Å²	25.9	29%	0.289	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	130	173.3	0	0	0	0	0	110.7	P145	G119-P145 CarbonylContact C-O 3.46Å; G119-P145 WeakPolarHBondContact CA-O 3.46Å
120	K	98.2	Very high	97.6	Very high	55 Å²	55	29.1 Å²	29.1	24%	0.239	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	104.7	174	-173.8	177.9	175	-171.5	0	109.2	G92 L93 M112 G113 E114 A143 P145	G92-K120 PolarHBondContact O-NZ 3.14Å; L93-K120 HydrophobicContact CD2-CD 3.92Å; L93-K120 HydrophobicContact CD2-CG 4.01Å; M112-K120 CarbonylContact C-O 3.57Å; M112-K120 PolarHBondContact O-N 2.83Å; G113-K120 PolarHBondContact N-O 2.96Å; E114-K120 HydrophobicContact CB-CB 4.25Å; E114-K120 HydrophobicContact CB-CD 3.97Å; K120-A143 HydrophobicContact CG-CB 4.1Å; K120-P145 PolarHBondContact N-O 3.12Å
121	G	98.4	Very high	97.6	Very high	2 Å²	2	29.3 Å²	29.3	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	109.2	176.8	0	0	0	0	0	111.9	A143 A144 F146	G121-A143 CarbonylContact O-C 3.5Å; G121-A143 WeakPolarHBondContact O-CA 3.47Å; G121-A144 PolarHBondContact N-O 3.46Å; G121-A144 PolarHBondContact O-N 2.82Å; G121-F146 VanDerWaalsContact CA-C 3.43Å; G121-F146 WeakPolarHBondContact CA-O 3.17Å
122	G	98.4	Very high	97.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	179.8	176.1	0	0	0	0	0	111.4	S110 C111 E138	S110-G122 CarbonylContact C-O 2.97Å; C111-G122 PolarHBondContact N-O 2.56Å; C111-G122 PolarHBondContact O-N 3.42Å; G122-E138 WeakPolarHBondContact CA-OE1 3.41Å
123	F	98.8	Very high	97.6	Very high	5 Å²	5	34.6 Å²	34.6	2%	0.022	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	123.5	-174.1	-46.3	-87.6	0	0	0	111.2	M108 I109 N136 W137 E138 F150 M159 W191	M108-F123 HydrophobicContact CE-CD1 4.47Å; M108-F123 HydrophobicContact CG-CB 3.76Å; M108-F123 HydrophobicContact CG-CG 4.46Å; M108-F123 HydrophobicContact SD-CB 3.89Å; M108-F123 HydrophobicContact SD-CG 4.26Å; I109-F123 CarbonylContact O-C 3.57Å; I109-F123 VanDerWaalsContact O-CA 3.27Å; I109-F123 WeakPolarHBondContact O-CA 3.41Å; F123-N136 CarbonylContact O-C 3.53Å; F123-N136 VanDerWaalsContact O-CA 3.27Å; F123-N136 WeakPolarHBondContact O-CA 3.33Å; F123-W137 HydrophobicContact CB-CB 3.93Å; F123-W137 AromaticContact CD2-CE3 3.84Å; F123-W137 HydrophobicContact CD2-CE3 3.84Å; F123-W137 HydrophobicContact CD2-CZ3 4.47Å; F123-W137 HydrophobicContact CE2-CE3 4.31Å; F123-W137 PolarHBondContact O-N 3.24Å; F123-E138 WeakPolarHBondContact CD2-OE2 3.44Å; F123-E138 PolarHBondContact N-OE2 3.1Å; F123-F150 HydrophobicContact CD1-CD1 4.08Å; F123-F150 HydrophobicContact CD1-CE1 4.41Å; F123-F150 HydrophobicContact CD1-CG 4.22Å; F123-F150 HydrophobicContact CE1-CB 3.82Å; F123-F150 AromaticContact CE1-CD1 3.98Å; F123-F150 HydrophobicContact CE1-CD1 3.98Å; F123-F150 AromaticContact CE1-CG 3.87Å; F123-F150 HydrophobicContact CE1-CG 3.87Å; F123-M159 HydrophobicContact CD2-CE 4.28Å; F123-M159 HydrophobicContact CE1-CE 4.1Å; F123-M159 HydrophobicContact CE1-SD 4.27Å; F123-M159 HydrophobicContact CE2-CE 3.56Å; F123-M159 HydrophobicContact CZ-CE 3.46Å; F123-M159 VanDerWaalsContact CZ-CE 3.46Å; F123-M159 HydrophobicContact CZ-SD 4.22Å; F123-W191 HydrophobicContact CE2-CH2 4.26Å; F123-W191 AromaticContact CE2-CZ2 3.92Å; F123-W191 HydrophobicContact CE2-CZ2 3.92Å; F123-W191 HydrophobicContact CZ-CZ2 4.38Å
124	V	98.7	Very high	97.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	134.9	174.1	172.7	0	0	0	0	109.4	L87 C91 L93 M108 I109 L126 V133	L87-V124 HydrophobicContact CD2-CG2 4.33Å; L87-V124 HydrophobicContact CG-CG2 4.27Å; C91-V124 HydrophobicContact CB-CG2 4.1Å; L93-V124 HydrophobicContact CB-CG2 4.27Å; L93-V124 HydrophobicContact CD1-CG2 3.87Å; M108-V124 CarbonylContact C-O 3.6Å; M108-V124 WeakPolarHBondContact CA-O 3.17Å; I109-V124 PolarHBondContact N-O 3.37Å; I109-V124 PolarHBondContact O-N 3.42Å; V124-L126 HydrophobicContact CG1-CD2 4.08Å; V124-V133 HydrophobicContact CG1-CG1 4.09Å; V124-V133 HydrophobicContact CG1-CG2 4.44Å
125	L	98.7	Very high	97.7	Very high	11 Å²	11	35.3 Å²	35.3	6%	0.058	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	126.8	169.1	-66.5	176	0	0	0	110.5	L102 I107 M108 V134 G135 W137	L102-L125 HydrophobicContact CD1-CD2 3.96Å; I107-L125 WeakPolarHBondContact O-CA 3.49Å; M108-L125 HydrophobicContact CB-CD2 3.83Å; M108-L125 HydrophobicContact CG-CD2 3.89Å; M108-L125 HydrophobicContact SD-CD2 4.16Å; L125-V134 HydrophobicContact CB-CB 4.17Å; L125-V134 PolarHBondContact O-N 3.16Å; L125-G135 PolarHBondContact N-O 3.07Å; L125-W137 HydrophobicContact CD1-CB 4.06Å; L125-W137 HydrophobicContact CD2-CB 4.11Å; L125-W137 HydrophobicContact CG-CB 3.95Å
126	L	98.8	Very high	97.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	143.3	164.2	-53.6	-174.3	0	0	0	110.2	I64 Q106 I107 I109 V124 E132 V133	I64-L126 HydrophobicContact CD1-CD1 4.32Å; I64-L126 HydrophobicContact CD1-CD2 4.4Å; I64-L126 HydrophobicContact CG2-CD1 4.26Å; Q106-L126 WeakPolarHBondContact CA-O 3.42Å; Q106-L126 WeakPolarHBondContact CB-O 3.3Å; I107-L126 HydrophobicContact CB-CB 4.29Å; I107-L126 PolarHBondContact N-O 3.37Å; I107-L126 PolarHBondContact O-N 2.96Å; I109-L126 HydrophobicContact CD1-CD1 3.71Å; I109-L126 HydrophobicContact CD1-CG 3.96Å; V124-L126 HydrophobicContact CG1-CD2 4.08Å; L126-E132 WeakPolarHBondContact CA-O 3.41Å; L126-V133 HydrophobicContact CD2-CB 4.4Å; L126-V133 HydrophobicContact CD2-CG2 3.76Å
127	D	97.8	Very high	97.8	Very high	51 Å²	51	30.9 Å²	30.9	27%	0.273	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-63.7	140.5	168.3	178.5	-103.2	0	0	0	111.1	E129 T130 F131 E132 V134	D127-E129 VanDerWaalsContact C-N 3.27Å; D127-E129 PolarHBondContact O-N 2.99Å; D127-E129 PolarHBondContact OD1-N 3.22Å; D127-E129 VanDerWaalsContact OD1-N 3.1Å; D127-T130 VanDerWaalsContact CB-OG1 3.28Å; D127-T130 WeakPolarHBondContact CB-OG1 3.47Å; D127-T130 VanDerWaalsContact CG-OG1 3.27Å; D127-T130 WeakPolarHBondContact OD1-CB 3.49Å; D127-T130 PolarHBondContact OD1-N 2.89Å; D127-T130 PolarHBondContact OD1-OG1 3.01Å; D127-F131 WeakPolarHBondContact O-CA 3.34Å; D127-F131 PolarHBondContact O-N 3.09Å; D127-E132 PolarHBondContact N-O 2.8Å; D127-V134 HydrophobicContact CB-CG2 3.95Å
128	G	94.9	Very high	97.9	Very high	9 Å²	9	30.8 Å²	30.8	9%	0.093	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-14.7	-172.6	0	0	0	0	0	116.1	G105	G105-G128 WeakPolarHBondContact O-CA 3.41Å
129	E	93.7	Very high	97.9	Very high	128 Å²	128	34.2 Å²	34.2	60%	0.598	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120	-47.6	-172.5	-68.2	174.6	-159.8	0	0	111.4	R49 D127 F131	R49-E129 IonicContact CZ-OE1 2.74Å; R49-E129 IonicContact NH1-OE1 3.19Å; R49-E129 PolarHBondContact NH1-OE1 2.93Å; R49-E129 IonicContact NH2-OE1 2.95Å; R49-E129 PolarHBondContact NH2-OE1 3.48Å; D127-E129 VanDerWaalsContact C-N 3.27Å; D127-E129 PolarHBondContact O-N 2.99Å; D127-E129 PolarHBondContact OD1-N 3.22Å; D127-E129 VanDerWaalsContact OD1-N 3.1Å; E129-F131 WeakPolarHBondContact O-CD2 3.35Å; E129-F131 VanDerWaalsContact O-CE2 3.28Å; E129-F131 WeakPolarHBondContact O-CE2 3.35Å
130	T	97.3	Very high	97.7	Very high	68 Å²	68	39.2 Å²	39.2	42%	0.417	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-21.4	179.1	66.2	0	0	0	0	112.3	K80 D127 E132	K80-T130 VanDerWaalsContact CD-O 3.29Å; K80-T130 WeakPolarHBondContact CD-O 3.37Å; K80-T130 WeakPolarHBondContact CE-O 3.32Å; K80-T130 PolarHBondContact NZ-O 2.85Å; D127-T130 VanDerWaalsContact CB-OG1 3.28Å; D127-T130 WeakPolarHBondContact CB-OG1 3.47Å; D127-T130 VanDerWaalsContact CG-OG1 3.27Å; D127-T130 WeakPolarHBondContact OD1-CB 3.49Å; D127-T130 PolarHBondContact OD1-N 2.89Å; D127-T130 PolarHBondContact OD1-OG1 3.01Å; T130-E132 PolarHBondContact O-N 2.95Å; T130-E132 PolarHBondContact OG1-N 3.29Å
131	F	98.1	Very high	97.5	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.026	24%	0.243	C	C	.	.			trans	55.5	26.5	-171.8	-47.1	-83.8	0	0	0	113.9	N38 R53 I55 V66 H79 K80 V82 I107 D127 E129	N38-F131 HydrophobicContact CB-CE1 4.04Å; R53-F131 HydrophobicContact CB-CE1 4.4Å; R53-F131 HydrophobicContact CB-CZ 4.2Å; R53-F131 HydrophobicContact CG-CE1 4.3Å; R53-F131 HydrophobicContact CG-CE2 4.24Å; R53-F131 HydrophobicContact CG-CZ 3.62Å; I55-F131 HydrophobicContact CD1-CD1 4.14Å; I55-F131 HydrophobicContact CD1-CE1 4.08Å; V66-F131 HydrophobicContact CB-CG 4.43Å; V66-F131 HydrophobicContact CG1-CD1 3.88Å; V66-F131 HydrophobicContact CG1-CD2 3.99Å; V66-F131 HydrophobicContact CG1-CE1 3.93Å; V66-F131 HydrophobicContact CG1-CE2 4.05Å; V66-F131 HydrophobicContact CG1-CG 3.93Å; V66-F131 HydrophobicContact CG1-CZ 4.04Å; V66-F131 HydrophobicContact CG2-CB 3.82Å; V66-F131 HydrophobicContact CG2-CD1 3.98Å; V66-F131 HydrophobicContact CG2-CG 3.85Å; H79-F131 AromaticContact CD2-CD2 3.91Å; H79-F131 AromaticContact CD2-CE2 3.75Å; H79-F131 AromaticContact NE2-CE2 3.83Å; K80-F131 HydrophobicContact CD-CB 4.16Å; V82-F131 VanDerWaalsContact CG2-O 3.29Å; V82-F131 WeakPolarHBondContact CG2-O 3.26Å; I107-F131 HydrophobicContact CD1-CD1 3.74Å; I107-F131 HydrophobicContact CD1-CE1 3.69Å; D127-F131 WeakPolarHBondContact O-CA 3.34Å; D127-F131 PolarHBondContact O-N 3.09Å; E129-F131 WeakPolarHBondContact O-CD2 3.35Å; E129-F131 VanDerWaalsContact O-CE2 3.28Å; E129-F131 WeakPolarHBondContact O-CE2 3.35Å
132	E	98.4	Very high	97.4	Very high	109 Å²	109	42.8 Å²	42.8	51%	0.509	25%	0.253	S	S	.	.			trans	-78.3	147.8	169.7	-68.2	-172	178.1	0	0	111	K80 L126 D127 T130 V134	K80-E132 IonicContact NZ-OE1 3.17Å; L126-E132 WeakPolarHBondContact CA-O 3.41Å; D127-E132 PolarHBondContact N-O 2.8Å; T130-E132 PolarHBondContact O-N 2.95Å; T130-E132 PolarHBondContact OG1-N 3.29Å; E132-V134 PolarHBondContact O-N 2.87Å
133	V	98.7	Very high	97.4	Very high	5 Å²	5	44 Å²	44	3%	0.03	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	119	171.7	177.4	0	0	0	0	109	V82 D86 L87 K90 V124 L126	V82-V133 HydrophobicContact CG1-CG2 3.53Å; D86-V133 HydrophobicContact CB-CB 4.46Å; D86-V133 HydrophobicContact CB-CG2 3.94Å; L87-V133 HydrophobicContact CD1-CG2 3.94Å; K90-V133 HydrophobicContact CB-CG1 3.95Å; K90-V133 HydrophobicContact CD-CB 3.91Å; K90-V133 HydrophobicContact CD-CG1 3.81Å; K90-V133 WeakPolarHBondContact CD-O 3.18Å; K90-V133 HydrophobicContact CG-CG1 4.49Å; K90-V133 PolarHBondContact NZ-O 2.81Å; V124-V133 HydrophobicContact CG1-CG1 4.09Å; V124-V133 HydrophobicContact CG1-CG2 4.44Å; L126-V133 HydrophobicContact CD2-CB 4.4Å; L126-V133 HydrophobicContact CD2-CG2 3.76Å
134	V	98.3	Very high	97.3	Very high	80 Å²	80	44 Å²	44	49%	0.485	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-46.1	176.9	178.1	0	0	0	0	110.3	L125 D127 E132	L125-V134 HydrophobicContact CB-CB 4.17Å; L125-V134 PolarHBondContact O-N 3.16Å; D127-V134 HydrophobicContact CB-CG2 3.95Å; E132-V134 PolarHBondContact O-N 2.87Å
135	G	98.3	Very high	97.3	Very high	13 Å²	13	47.6 Å²	47.6	13%	0.134	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	152.5	-160.5	-175.3	0	0	0	0	0	111.1	C91 L125	C91-G135 VanDerWaalsContact SG-C 3.53Å; L125-G135 PolarHBondContact N-O 3.07Å
136	N	98.5	Very high	97.3	Very high	51 Å²	51	48.5 Å²	48.5	27%	0.273	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	148.6	176.3	-63.5	41.4	0	0	0	110.7	C91 L93 F123 E138	C91-N136 WeakPolarHBondContact CA-OD1 3.43Å; C91-N136 WeakPolarHBondContact CB-OD1 3.34Å; C91-N136 PolarHBondContact O-ND2 2.98Å; C91-N136 PolarHBondContact O-OD1 3.08Å; C91-N136 PolarHBondContact SG-OD1 2.96Å; L93-N136 WeakPolarHBondContact CD1-ND2 3.17Å; F123-N136 CarbonylContact O-C 3.53Å; F123-N136 VanDerWaalsContact O-CA 3.27Å; F123-N136 WeakPolarHBondContact O-CA 3.33Å; N136-E138 PolarHBondContact ND2-OE1 2.86Å
137	W	98.6	Very high	97.2	Very high	6 Å²	6	48.7 Å²	48.7	2%	0.023	29%	0.293	C	S	.	.	S	Bend	trans	-75.3	-48.1	168.6	179.2	79.6	0	0	0	110.8	M108 F123 L125 M159 W191 W193 H196	M108-W137 HydrophobicContact SD-CB 3.62Å; M108-W137 HydrophobicContact SD-CD2 3.74Å; M108-W137 HydrophobicContact SD-CE3 4.39Å; M108-W137 HydrophobicContact SD-CG 3.36Å; F123-W137 HydrophobicContact CB-CB 3.93Å; F123-W137 AromaticContact CD2-CE3 3.84Å; F123-W137 HydrophobicContact CD2-CE3 3.84Å; F123-W137 HydrophobicContact CD2-CZ3 4.47Å; F123-W137 HydrophobicContact CE2-CE3 4.31Å; F123-W137 PolarHBondContact O-N 3.24Å; L125-W137 HydrophobicContact CD1-CB 4.06Å; L125-W137 HydrophobicContact CD2-CB 4.11Å; L125-W137 HydrophobicContact CG-CB 3.95Å; W137-M159 HydrophobicContact CE3-CE 4.03Å; W137-M159 HydrophobicContact CH2-CB 4.49Å; W137-M159 HydrophobicContact CH2-CE 3.74Å; W137-M159 HydrophobicContact CH2-SD 4.21Å; W137-M159 HydrophobicContact CZ3-CE 3.32Å; W137-M159 HydrophobicContact CZ3-SD 4.12Å; W137-W191 HydrophobicContact CH2-CB 3.79Å; W137-W191 HydrophobicContact CH2-CG 4.42Å; W137-W191 HydrophobicContact CZ3-CB 4.01Å; W137-W191 HydrophobicContact CZ3-CD2 4.12Å; W137-W191 AromaticContact CZ3-CE3 3.97Å; W137-W191 HydrophobicContact CZ3-CE3 3.97Å; W137-W191 HydrophobicContact CZ3-CG 4.17Å; W137-W193 HydrophobicContact CH2-CE3 4.34Å; W137-W193 HydrophobicContact CZ2-CD2 4.42Å; W137-W193 AromaticContact CZ2-CE3 3.59Å; W137-W193 HydrophobicContact CZ2-CE3 3.59Å; W137-W193 AromaticContact CZ2-CZ3 3.87Å; W137-W193 HydrophobicContact CZ2-CZ3 3.87Å; W137-H196 AromaticContact CD1-CE1 3.5Å; W137-H196 VanDerWaalsContact CD1-CE1 3.5Å; W137-H196 AromaticContact CD1-ND1 3.63Å; W137-H196 AromaticContact CD1-NE2 3.85Å; W137-H196 HydrophobicContact CD2-CB 4.21Å; W137-H196 AromaticContact CE2-CD2 3.55Å; W137-H196 AromaticContact CE2-CG 3.61Å; W137-H196 AromaticContact CE2-ND1 3.99Å; W137-H196 AromaticContact CE2-NE2 3.93Å; W137-H196 HydrophobicContact CE3-CB 4.39Å; W137-H196 HydrophobicContact CH2-CB 4.33Å; W137-H196 HydrophobicContact CZ2-CB 4.13Å; W137-H196 AromaticContact CZ2-CD2 3.66Å; W137-H196 AromaticContact CZ2-CG 3.93Å; W137-H196 HydrophobicContact CZ3-CB 4.45Å; W137-H196 AromaticContact NE1-CD2 3.37Å; W137-H196 PolarHBondContact NE1-CD2 2.92Å; W137-H196 AromaticContact NE1-CE1 3.38Å; W137-H196 PolarHBondContact NE1-CE1 2.74Å; W137-H196 AromaticContact NE1-CG 3.61Å; W137-H196 AromaticContact NE1-ND1 3.6Å; W137-H196 AromaticContact NE1-NE2 3.23Å; W137-H196 PolarHBondContact NE1-NE2 3.1Å; W137-H196 VanDerWaalsContact O-CB 3.28Å; W137-H196 WeakPolarHBondContact O-CB 3.27Å; W137-H196 PolarHBondContact O-ND1 3.37Å
138	E	98	Very high	97.3	Very high	10 Å²	10	46.4 Å²	46.4	5%	0.047	28%	0.281	C	S	.	.	S	Bend	trans	-70.6	152.1	179.1	76.2	-72.4	175.2	0	0	112.6	G122 F123 N136 E142 W191	G122-E138 WeakPolarHBondContact CA-OE1 3.41Å; F123-E138 WeakPolarHBondContact CD2-OE2 3.44Å; F123-E138 PolarHBondContact N-OE2 3.1Å; N136-E138 PolarHBondContact ND2-OE1 2.86Å; E138-E142 HydrophobicContact CB-CB 4.36Å; E138-W191 HydrophobicContact CB-CH2 4.48Å; E138-W191 HydrophobicContact CB-CZ3 3.9Å
139	H	96.9	Very high	97.5	Very high	80 Å²	80	46 Å²	46	37%	0.37	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-67.9	153.9	174.5	-71.8	-54.7	0	0	0	112.9	G141 E142 T195	H139-G141 PolarHBondContact O-N 3.13Å; H139-E142 HydrophobicContact CB-CG 3.88Å; H139-E142 WeakPolarHBondContact O-CB 3.5Å; H139-E142 PolarHBondContact O-N 2.82Å; H139-T195 PolarHBondContact CD2-O 3.4Å; H139-T195 PolarHBondContact NE2-O 3.33Å
140	P	95.3	Very high	97.7	Very high	133 Å²	133	40 Å²	40	86%	0.864	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	125.4	174.9	-26.5	34.9	0	0	0	112.3
141	G	94	Very high	97.7	Very high	83 Å²	83	36.9 Å²	36.9	86%	0.856	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.8	-4.3	-179.9	0	0	0	0	0	115.5	H139	H139-G141 PolarHBondContact O-N 3.13Å
142	E	96.1	Very high	97.7	Very high	49 Å²	49	36.6 Å²	36.6	23%	0.229	23%	0.228	C	C	.	.			trans	-86.9	-12.5	179.8	-69.5	-75	160.1	0	0	113.9	E138 H139 A144 W191 K198	E138-E142 HydrophobicContact CB-CB 4.36Å; H139-E142 HydrophobicContact CB-CG 3.88Å; H139-E142 WeakPolarHBondContact O-CB 3.5Å; H139-E142 PolarHBondContact O-N 2.82Å; E142-A144 PolarHBondContact O-N 3.18Å; E142-W191 HydrophobicContact CB-CZ3 4.09Å; E142-W191 VanDerWaalsContact O-CH2 3.3Å; E142-W191 WeakPolarHBondContact O-CH2 3.46Å; E142-K198 PolarHBondContact O-NZ 2.93Å; E142-K198 VanDerWaalsContact OE2-CB 3.23Å; E142-K198 WeakPolarHBondContact OE2-CB 3.46Å; E142-K198 PolarHBondContact OE2-N 2.89Å; E142-K198 VanDerWaalsContact OE2-N 3.1Å
143	A	97.1	Very high	97.6	Very high	28 Å²	28	31.6 Å²	31.6	23%	0.231	20%	0.204	C	C	.	.			trans	-45.7	137.8	-178.2	0	0	0	0	0	112.4	K120 G121 K198	K120-A143 HydrophobicContact CG-CB 4.1Å; G121-A143 CarbonylContact O-C 3.5Å; G121-A143 WeakPolarHBondContact O-CA 3.47Å; A143-K198 PolarHBondContact O-NZ 2.84Å
144	A	98	Very high	97.3	Very high	4 Å²	4	33 Å²	33	3%	0.033	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-71.1	155.5	174.4	0	0	0	0	0	111	G121 E142 F146 H189 W191	G121-A144 PolarHBondContact N-O 3.46Å; G121-A144 PolarHBondContact O-N 2.82Å; E142-A144 PolarHBondContact O-N 3.18Å; A144-F146 VanDerWaalsContact CB-O 3.27Å; A144-F146 WeakPolarHBondContact CB-O 3.49Å; A144-F146 PolarHBondContact O-N 2.92Å; A144-H189 WeakPolarHBondContact CB-CD2 3.21Å; A144-H189 WeakPolarHBondContact CB-NE2 3.2Å; A144-W191 HydrophobicContact CB-CZ2 4.28Å
145	P	97.6	Very high	97.2	Very high	76 Å²	76	34.9 Å²	34.9	49%	0.494	21%	0.212	S	C	.	.	S	Bend	trans	-57.8	-35.4	174.8	-23.8	35.2	0	0	0	112.7	G119 K120	G119-P145 CarbonylContact C-O 3.46Å; G119-P145 WeakPolarHBondContact CA-O 3.46Å; K120-P145 PolarHBondContact N-O 3.12Å
146	F	98.4	Very high	97.1	Very high	29 Å²	29	36.6 Å²	36.6	13%	0.127	22%	0.216	C	C	.	.	S	Bend	trans	-136.4	159.2	175.6	-58.2	-72.7	0	0	0	110.5	G121 A144 E163 A166 G182	G121-F146 VanDerWaalsContact CA-C 3.43Å; G121-F146 WeakPolarHBondContact CA-O 3.17Å; A144-F146 VanDerWaalsContact CB-O 3.27Å; A144-F146 WeakPolarHBondContact CB-O 3.49Å; A144-F146 PolarHBondContact O-N 2.92Å; F146-E163 HydrophobicContact CB-CB 3.77Å; F146-E163 HydrophobicContact CB-CG 3.88Å; F146-A166 HydrophobicContact CE1-CB 4.15Å; F146-G182 WeakPolarHBondContact CZ-O 3.22Å
147	G	98.3	Very high	97.1	Very high	5 Å²	5	36.6 Å²	36.6	5%	0.052	22%	0.217	C	C	.	.			trans	-131.6	157.2	173	0	0	0	0	0	111.2	M112 T162	M112-G147 WeakPolarHBondContact CG-O 3.25Å; G147-T162 CarbonylContact C-O 3.59Å; G147-T162 WeakPolarHBondContact CA-O 3.13Å
148	Y	98.7	Very high	97	Very high	3 Å²	3	36.4 Å²	36.4	1%	0.012	22%	0.216	C	C	.	.			trans	-155.5	-87.2	170.1	-178	-102.1	0	0	0	110.3	H97 S110 M112 T162 W164 L212 E213	H97-Y148 AromaticContact CD2-CE2 3.95Å; H97-Y148 AromaticContact CE1-CD2 3.68Å; H97-Y148 AromaticContact CE1-CE1 3.8Å; H97-Y148 AromaticContact CE1-CE2 3.18Å; H97-Y148 WeakPolarHBondContact CE1-CE2 3.26Å; H97-Y148 AromaticContact CE1-CZ 3.26Å; H97-Y148 PolarHBondContact ND1-O 3.28Å; H97-Y148 AromaticContact NE2-CD2 3.69Å; H97-Y148 AromaticContact NE2-CE2 3.06Å; H97-Y148 WeakPolarHBondContact NE2-CE2 3.33Å; H97-Y148 AromaticContact NE2-CZ 3.55Å; S110-Y148 VanDerWaalsContact CB-O 3.31Å; S110-Y148 WeakPolarHBondContact CB-O 3.36Å; S110-Y148 PolarHBondContact OG-O 3.36Å; M112-Y148 HydrophobicContact SD-CD2 4.27Å; Y148-T162 PolarHBondContact N-O 3.34Å; Y148-T162 VanDerWaalsContact N-O 3.16Å; Y148-W164 HydrophobicContact CD2-CB 3.59Å; Y148-W164 HydrophobicContact CD2-CD2 4.13Å; Y148-W164 AromaticContact CD2-CE3 3.62Å; Y148-W164 HydrophobicContact CD2-CE3 3.62Å; Y148-W164 HydrophobicContact CD2-CG 4.18Å; Y148-W164 HydrophobicContact CE2-CB 4.39Å; Y148-W164 HydrophobicContact CE2-CD2 4.17Å; Y148-W164 AromaticContact CE2-CE3 3.52Å; Y148-W164 HydrophobicContact CE2-CE3 3.52Å; Y148-W164 HydrophobicContact CE2-CZ3 4.18Å; Y148-W164 HydrophobicContact CG-CB 3.97Å; Y148-L212 HydrophobicContact CD1-CB 3.94Å; Y148-L212 HydrophobicContact CD1-CD2 3.96Å; Y148-L212 VanDerWaalsContact CD1-O 3.3Å; Y148-L212 WeakPolarHBondContact CD1-O 3.39Å; Y148-L212 HydrophobicContact CD2-CD2 3.96Å; Y148-L212 HydrophobicContact CE1-CB 3.4Å; Y148-L212 HydrophobicContact CE1-CD2 3.81Å; Y148-L212 HydrophobicContact CE1-CG 4.12Å; Y148-L212 HydrophobicContact CE2-CD2 3.75Å; Y148-L212 HydrophobicContact CG-CD2 4.03Å; Y148-E213 HydrophobicContact CE1-CG 4.34Å; Y148-E213 PolarHBondContact OH-OE1 3.26Å
149	D	98.7	Very high	97.1	Very high	1 Å²	1	36 Å²	36	1%	0.005	21%	0.214	C	C	.	.			trans	-111.3	163.3	-176.2	-169.5	31.9	0	0	0	110.9	T98 S161 T162 E213 V214 R215	T98-D149 VanDerWaalsContact CB-OD1 3.24Å; T98-D149 WeakPolarHBondContact CB-OD1 3.2Å; T98-D149 WeakPolarHBondContact CG2-OD1 3.43Å; T98-D149 PolarHBondContact OG1-OD1 3.22Å; D149-S161 CarbonylContact O-C 3.48Å; D149-S161 VanDerWaalsContact O-CA 3.28Å; D149-S161 WeakPolarHBondContact O-CA 3.36Å; D149-T162 PolarHBondContact N-OG1 3.43Å; D149-T162 PolarHBondContact O-N 2.92Å; D149-T162 PolarHBondContact O-OG1 2.83Å; D149-E213 VanDerWaalsContact OD2-OE2 3.06Å; D149-V214 HydrophobicContact CB-CG1 4.25Å; D149-V214 WeakPolarHBondContact OD2-CG1 3.4Å; D149-V214 PolarHBondContact OD2-N 2.97Å; D149-R215 IonicContact OD2-NH1 3.88Å; D149-R215 PolarHBondContact OD2-NH1 2.97Å
150	F	98.8	Very high	97.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	151.3	172.2	73.1	-77.9	0	0	0	111.7	T98 H100 M108 F123 Y152 M159 I160	T98-F150 HydrophobicContact CG2-CD1 4.47Å; T98-F150 HydrophobicContact CG2-CE1 4.28Å; H100-F150 HydrophobicContact CB-CE2 4.08Å; H100-F150 HydrophobicContact CB-CZ 3.92Å; H100-F150 AromaticContact CD2-CE2 3.78Å; H100-F150 AromaticContact CD2-CZ 3.66Å; H100-F150 PolarHBondContact NE2-O 3.42Å; M108-F150 HydrophobicContact CB-CE2 4.45Å; M108-F150 HydrophobicContact CB-CZ 4.06Å; M108-F150 HydrophobicContact CE-CD2 3.48Å; M108-F150 VanDerWaalsContact CE-CD2 3.48Å; M108-F150 HydrophobicContact CE-CE2 3.07Å; M108-F150 HydrophobicContact CE-CG 4.41Å; M108-F150 HydrophobicContact CE-CZ 3.69Å; M108-F150 HydrophobicContact CG-CE2 4.4Å; M108-F150 HydrophobicContact CG-CZ 4.06Å; F123-F150 HydrophobicContact CD1-CD1 4.08Å; F123-F150 HydrophobicContact CD1-CE1 4.41Å; F123-F150 HydrophobicContact CD1-CG 4.22Å; F123-F150 HydrophobicContact CE1-CB 3.82Å; F123-F150 AromaticContact CE1-CD1 3.98Å; F123-F150 HydrophobicContact CE1-CD1 3.98Å; F123-F150 AromaticContact CE1-CG 3.87Å; F123-F150 HydrophobicContact CE1-CG 3.87Å; F150-Y152 HydrophobicContact CD2-CD1 4.5Å; F150-Y152 HydrophobicContact CE2-CD1 4.14Å; F150-M159 HydrophobicContact CB-CG 4.35Å; F150-M159 HydrophobicContact CB-SD 4.14Å; F150-M159 HydrophobicContact CD2-CG 4.19Å; F150-M159 HydrophobicContact CD2-SD 3.72Å; F150-M159 HydrophobicContact CG-SD 4.2Å; F150-I160 CarbonylContact C-O 3.59Å; F150-I160 VanDerWaalsContact CA-O 3.24Å; F150-I160 WeakPolarHBondContact CA-O 3.44Å
151	W	98.1	Very high	97.3	Very high	4 Å²	4	26 Å²	26	2%	0.015	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	142.2	171.8	-159.5	-67.7	0	0	0	109.6	M159 I160 V214 R215 F216 I432	W151-M159 WeakPolarHBondContact O-CA 3.49Å; W151-M159 WeakPolarHBondContact O-CG 3.36Å; W151-I160 PolarHBondContact N-O 3.04Å; W151-I160 PolarHBondContact O-N 2.99Å; W151-V214 HydrophobicContact CB-CG1 4.05Å; W151-R215 VanDerWaalsContact CZ3-CD 3.45Å; W151-F216 HydrophobicContact CB-CD2 3.95Å; W151-F216 AromaticContact CD1-CD2 3.56Å; W151-F216 HydrophobicContact CG-CB 4.43Å; W151-F216 AromaticContact CG-CD2 3.99Å; W151-F216 HydrophobicContact CG-CD2 3.99Å; W151-I432 HydrophobicContact CZ2-CG1 3.97Å
152	Y	96.8	Very high	97.6	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	151.5	-177.2	69.5	-96.1	0	0	0	112	H100 C101 L102 F150 P154 V158 W193 I432	H100-Y152 HydrophobicContact CB-CE1 4.12Å; C101-Y152 PolarHBondContact O-OH 3.28Å; L102-Y152 HydrophobicContact CD2-CD1 4.35Å; L102-Y152 HydrophobicContact CD2-CE1 3.56Å; F150-Y152 HydrophobicContact CD2-CD1 4.5Å; F150-Y152 HydrophobicContact CE2-CD1 4.14Å; Y152-P154 HydrophobicContact CD2-CG 3.52Å; Y152-P154 HydrophobicContact CE2-CG 3.53Å; Y152-V158 WeakPolarHBondContact CA-O 3.37Å; Y152-W193 AromaticContact CD1-CH2 3.82Å; Y152-W193 HydrophobicContact CD1-CH2 3.82Å; Y152-W193 AromaticContact CD1-CZ3 3.97Å; Y152-W193 HydrophobicContact CD1-CZ3 3.97Å; Y152-W193 HydrophobicContact CD2-CD2 4.37Å; Y152-W193 HydrophobicContact CD2-CE3 4.4Å; Y152-W193 AromaticContact CD2-CH2 3.87Å; Y152-W193 HydrophobicContact CD2-CH2 3.87Å; Y152-W193 AromaticContact CD2-CZ2 3.82Å; Y152-W193 HydrophobicContact CD2-CZ2 3.82Å; Y152-W193 HydrophobicContact CD2-CZ3 4.16Å; Y152-W193 HydrophobicContact CE1-CH2 4.1Å; Y152-W193 HydrophobicContact CE2-CH2 4.19Å; Y152-W193 AromaticContact CE2-CZ2 3.97Å; Y152-W193 HydrophobicContact CE2-CZ2 3.97Å; Y152-W193 HydrophobicContact CG-CE3 4.11Å; Y152-W193 AromaticContact CG-CH2 3.7Å; Y152-W193 HydrophobicContact CG-CH2 3.7Å; Y152-W193 HydrophobicContact CG-CZ2 4.14Å; Y152-W193 AromaticContact CG-CZ3 3.68Å; Y152-W193 HydrophobicContact CG-CZ3 3.68Å; Y152-I432 HydrophobicContact CD1-CD1 3.55Å; Y152-I432 HydrophobicContact CD2-CD1 4.28Å; Y152-I432 HydrophobicContact CD2-CG2 4.25Å; Y152-I432 HydrophobicContact CE1-CD1 3.21Å; Y152-I432 HydrophobicContact CE2-CB 4.41Å; Y152-I432 HydrophobicContact CE2-CD1 3.97Å; Y152-I432 HydrophobicContact CE2-CG2 3.81Å; Y152-I432 HydrophobicContact CG-CD1 4.08Å; Y152-I432 VanDerWaalsContact CZ-CD1 3.42Å; Y152-I432 WeakPolarHBondContact O-CG2 3.46Å
153	Q	96.7	Very high	97.7	Very high	3 Å²	3	20.1 Å²	20.1	1%	0.014	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	89	-177.5	-174.6	70.7	-38.6	0	0	109.5	R155 H156 N157 V158 F216 D219 P220 A222	Q153-R155 PolarHBondContact O-N 2.53Å; Q153-H156 HydrophobicContact CG-CB 4.33Å; Q153-H156 PolarHBondContact O-N 2.8Å; Q153-N157 PolarHBondContact O-N 2.96Å; Q153-V158 HydrophobicContact CB-CG1 3.9Å; Q153-V158 PolarHBondContact N-O 2.91Å; Q153-V158 PolarHBondContact O-N 3.22Å; Q153-F216 HydrophobicContact CB-CD1 4.03Å; Q153-F216 HydrophobicContact CB-CE1 3.98Å; Q153-F216 HydrophobicContact CB-CG 4.33Å; Q153-F216 HydrophobicContact CB-CZ 4.25Å; Q153-F216 HydrophobicContact CG-CD1 4.3Å; Q153-F216 HydrophobicContact CG-CE1 4.44Å; Q153-D219 PolarHBondContact NE2-O 2.82Å; Q153-D219 VanDerWaalsContact NE2-O 3.09Å; Q153-P220 VanDerWaalsContact NE2-C 3.3Å; Q153-P220 PolarHBondContact NE2-O 2.7Å; Q153-A222 PolarHBondContact NE2-O 3.21Å
154	P	93.4	Very high	97.7	Very high	34 Å²	34	19 Å²	19	22%	0.221	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-61.8	-35.7	-167.6	-27	37.2	0	0	0	114.5	Y152 H156 N157 V434	Y152-P154 HydrophobicContact CD2-CG 3.52Å; Y152-P154 HydrophobicContact CE2-CG 3.53Å; P154-H156 PolarHBondContact O-N 2.87Å; P154-N157 PolarHBondContact O-N 2.95Å; P154-V434 HydrophobicContact CG-CG1 4.1Å
155	R	94.7	Very high	97.6	Very high	120 Å²	120	18.8 Å²	18.8	45%	0.453	10%	0.095	S	C	.	.	G	3₁₀ helix	trans	-57.9	-22.8	177.1	-69.7	-159.6	-177.5	165.2	10.7	113.3	Q153 P220 N221 V434	Q153-R155 PolarHBondContact O-N 2.53Å; R155-P220 WeakPolarHBondContact CB-O 3.23Å; R155-P220 WeakPolarHBondContact CD-O 3.49Å; R155-P220 HydrophobicContact CG-CB 4.36Å; R155-P220 VanDerWaalsContact CZ-CG 3.47Å; R155-N221 PolarHBondContact NH1-ND2 3.11Å; R155-N221 PolarHBondContact NH1-OD1 3.28Å; R155-V434 WeakPolarHBondContact CG-OXT 3.31Å; R155-V434 PolarHBondContact NE-OXT 2.6Å; R155-V434 VanDerWaalsContact NH2-C 3.27Å; R155-V434 PolarHBondContact NH2-O 3.31Å; R155-V434 PolarHBondContact NH2-OXT 3.03Å
156	H	97	Very high	97.6	Very high	49 Å²	49	15.3 Å²	15.3	23%	0.227	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-110.7	8.9	-179.5	-60.7	-47.2	0	0	0	113.3	Q153 P154 V158 P220 N221 A222 T223	Q153-H156 HydrophobicContact CG-CB 4.33Å; Q153-H156 PolarHBondContact O-N 2.8Å; P154-H156 PolarHBondContact O-N 2.87Å; H156-V158 HydrophobicContact CB-CG1 4.06Å; H156-V158 PolarHBondContact O-N 2.7Å; H156-P220 PolarHBondContact NE2-O 2.91Å; H156-N221 WeakPolarHBondContact NE2-CA 3.46Å; H156-N221 PolarHBondContact NE2-O 2.89Å; H156-A222 PolarHBondContact CD2-O 2.86Å; H156-A222 PolarHBondContact NE2-O 2.86Å; H156-T223 HydrophobicContact CB-CG2 4.43Å; H156-T223 VanDerWaalsContact CD2-CG2 3.49Å; H156-T223 WeakPolarHBondContact CD2-CG2 3.5Å; H156-T223 WeakPolarHBondContact NE2-CG2 3.27Å
157	N	97.2	Very high	97.5	Very high	52 Å²	52	14.5 Å²	14.5	28%	0.278	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	41.5	-179.9	-167.5	43.2	0	0	0	113.3	Q153 P154 D192 W193 T194	Q153-N157 PolarHBondContact O-N 2.96Å; P154-N157 PolarHBondContact O-N 2.95Å; N157-D192 PolarHBondContact ND2-OD1 3.24Å; N157-D192 PolarHBondContact ND2-OD2 2.94Å; N157-W193 VanDerWaalsContact C-CB 3.4Å; N157-W193 PolarHBondContact O-N 3.38Å; N157-W193 WeakPolarHBondContact OD1-CB 3.43Å; N157-T194 WeakPolarHBondContact OD1-CB 3.48Å; N157-T194 PolarHBondContact OD1-N 2.72Å; N157-T194 PolarHBondContact OD1-OG1 2.68Å
158	V	98.4	Very high	97.4	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.012	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	144.8	-174.4	69.1	0	0	0	0	112.4	Y152 Q153 H156 I160 V190 W191 F216 W246	Y152-V158 WeakPolarHBondContact CA-O 3.37Å; Q153-V158 HydrophobicContact CB-CG1 3.9Å; Q153-V158 PolarHBondContact N-O 2.91Å; Q153-V158 PolarHBondContact O-N 3.22Å; H156-V158 HydrophobicContact CB-CG1 4.06Å; H156-V158 PolarHBondContact O-N 2.7Å; V158-I160 HydrophobicContact CG2-CG1 4.28Å; V158-V190 HydrophobicContact CG2-CG1 3.75Å; V158-W191 WeakPolarHBondContact CA-O 3.4Å; V158-F216 HydrophobicContact CG1-CE1 4.24Å; V158-F216 HydrophobicContact CG1-CZ 3.86Å; V158-W246 HydrophobicContact CB-CZ2 3.98Å; V158-W246 HydrophobicContact CG1-CH2 4.11Å; V158-W246 HydrophobicContact CG1-CZ2 3.7Å; V158-W246 HydrophobicContact CG2-CZ2 3.76Å
159	M	98.5	Very high	97.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	144.8	157	176.7	-167.3	75.1	0	0	109	M108 F123 W137 F150 W151 W191 W193	M108-M159 HydrophobicContact CE-SD 3.52Å; M108-M159 VanDerWaalsContact CE-SD 3.52Å; F123-M159 HydrophobicContact CD2-CE 4.28Å; F123-M159 HydrophobicContact CE1-CE 4.1Å; F123-M159 HydrophobicContact CE1-SD 4.27Å; F123-M159 HydrophobicContact CE2-CE 3.56Å; F123-M159 HydrophobicContact CZ-CE 3.46Å; F123-M159 VanDerWaalsContact CZ-CE 3.46Å; F123-M159 HydrophobicContact CZ-SD 4.22Å; W137-M159 HydrophobicContact CE3-CE 4.03Å; W137-M159 HydrophobicContact CH2-CB 4.49Å; W137-M159 HydrophobicContact CH2-CE 3.74Å; W137-M159 HydrophobicContact CH2-SD 4.21Å; W137-M159 HydrophobicContact CZ3-CE 3.32Å; W137-M159 HydrophobicContact CZ3-SD 4.12Å; F150-M159 HydrophobicContact CB-CG 4.35Å; F150-M159 HydrophobicContact CB-SD 4.14Å; F150-M159 HydrophobicContact CD2-CG 4.19Å; F150-M159 HydrophobicContact CD2-SD 3.72Å; F150-M159 HydrophobicContact CG-SD 4.2Å; W151-M159 WeakPolarHBondContact O-CA 3.49Å; W151-M159 WeakPolarHBondContact O-CG 3.36Å; M159-W191 HydrophobicContact CB-CB 4.29Å; M159-W191 HydrophobicContact CE-CB 3.81Å; M159-W191 HydrophobicContact CE-CD2 3.78Å; M159-W191 HydrophobicContact CE-CG 3.31Å; M159-W191 PolarHBondContact N-O 2.95Å; M159-W191 PolarHBondContact O-N 3.05Å; M159-W193 HydrophobicContact CB-CE3 3.97Å; M159-W193 HydrophobicContact CB-CZ3 4.41Å; M159-W193 HydrophobicContact SD-CZ3 4.44Å
160	I	98.8	Very high	97	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	134.2	169.2	-62.2	-176.4	0	0	0	108.6	F150 W151 V158 L188 H189 V214 F216 F238 W246	F150-I160 CarbonylContact C-O 3.59Å; F150-I160 VanDerWaalsContact CA-O 3.24Å; F150-I160 WeakPolarHBondContact CA-O 3.44Å; W151-I160 PolarHBondContact N-O 3.04Å; W151-I160 PolarHBondContact O-N 2.99Å; V158-I160 HydrophobicContact CG2-CG1 4.28Å; I160-L188 HydrophobicContact CG2-CB 4.12Å; I160-L188 HydrophobicContact CG2-CD1 4.41Å; I160-H189 VanDerWaalsContact CA-O 3.31Å; I160-H189 WeakPolarHBondContact CA-O 3.45Å; I160-V214 HydrophobicContact CG2-CG2 4.13Å; I160-F216 HydrophobicContact CB-CE2 4.09Å; I160-F216 HydrophobicContact CD1-CE2 3.99Å; I160-F216 HydrophobicContact CD1-CZ 3.67Å; I160-F216 HydrophobicContact CG1-CE2 3.93Å; I160-F216 HydrophobicContact CG1-CZ 3.87Å; I160-F238 HydrophobicContact CD1-CB 4.42Å; I160-F238 HydrophobicContact CD1-CD1 4.35Å; I160-F238 HydrophobicContact CD1-CD2 3.19Å; I160-F238 HydrophobicContact CD1-CE1 4.46Å; I160-F238 HydrophobicContact CD1-CE2 3.37Å; I160-F238 HydrophobicContact CD1-CG 3.73Å; I160-F238 HydrophobicContact CD1-CZ 4Å; I160-W246 HydrophobicContact CD1-CD2 4.49Å; I160-W246 HydrophobicContact CD1-CE3 3.96Å; I160-W246 HydrophobicContact CD1-CZ3 4.1Å
161	S	98.9	Very high	96.6	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.021	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	157.6	173.6	72.2	0	0	0	0	111.9	D149 L188 H189 W191	D149-S161 CarbonylContact O-C 3.48Å; D149-S161 VanDerWaalsContact O-CA 3.28Å; D149-S161 WeakPolarHBondContact O-CA 3.36Å; S161-L188 WeakPolarHBondContact O-CA 3.45Å; S161-H189 PolarHBondContact N-O 2.99Å; S161-H189 PolarHBondContact O-N 3.38Å; S161-W191 PolarHBondContact OG-NE1 2.89Å
162	T	98.8	Very high	96.2	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.148	C	C	.	.			trans	-119.3	179.9	-173.9	66.8	0	0	0	0	112.4	G147 Y148 D149 L188 P211 L212 V214 V227	G147-T162 CarbonylContact C-O 3.59Å; G147-T162 WeakPolarHBondContact CA-O 3.13Å; Y148-T162 PolarHBondContact N-O 3.34Å; Y148-T162 VanDerWaalsContact N-O 3.16Å; D149-T162 PolarHBondContact N-OG1 3.43Å; D149-T162 PolarHBondContact O-N 2.92Å; D149-T162 PolarHBondContact O-OG1 2.83Å; T162-L188 HydrophobicContact CG2-CD2 3.71Å; T162-P211 WeakPolarHBondContact CB-O 3.3Å; T162-P211 PolarHBondContact OG1-O 3.16Å; T162-L212 VanDerWaalsContact CB-O 3.31Å; T162-L212 WeakPolarHBondContact CB-O 3.33Å; T162-L212 VanDerWaalsContact CG2-O 3.28Å; T162-L212 WeakPolarHBondContact CG2-O 3.22Å; T162-L212 PolarHBondContact OG1-O 2.89Å; T162-V214 HydrophobicContact CG2-CB 3.6Å; T162-V214 HydrophobicContact CG2-CG1 3.8Å; T162-V214 HydrophobicContact CG2-CG2 4.38Å; T162-V227 HydrophobicContact CG2-CG2 3.89Å
163	E	98.4	Very high	96	Very high	10 Å²	10	31.3 Å²	31.3	5%	0.047	15%	0.151	C	C	.	.			trans	-135.9	125.6	-170.9	-64.9	-171	131.8	0	0	111.2	F146 G185 S186 A187 H189 P211	F146-E163 HydrophobicContact CB-CB 3.77Å; F146-E163 HydrophobicContact CB-CG 3.88Å; E163-G185 WeakPolarHBondContact OE2-CA 3.36Å; E163-S186 PolarHBondContact OE2-N 3.03Å; E163-A187 PolarHBondContact OE2-N 3.5Å; E163-H189 IonicContact OE1-CE1 3.63Å; E163-H189 IonicContact OE1-NE2 3.23Å; E163-H189 PolarHBondContact OE1-NE2 2.85Å; E163-H189 VanDerWaalsContact OE1-NE2 3.09Å; E163-P211 CarbonylContact C-O 3.54Å; E163-P211 HydrophobicContact CB-CG 4.19Å; E163-P211 PolarHBondContact N-O 2.96Å; E163-P211 WeakPolarHBondContact O-CD 3.31Å
164	W	97.3	Very high	95.7	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.015	16%	0.156	C	C	.	.			trans	-99.6	-79.9	167.6	-177.4	9.6	0	0	0	111.5	L59 M112 Y148 L170 Y184 G185 I210 L212 F368 W371	L59-W164 HydrophobicContact CD2-CZ3 4.4Å; M112-W164 HydrophobicContact CE-CB 3.78Å; M112-W164 HydrophobicContact CE-CD2 3.79Å; M112-W164 HydrophobicContact CE-CE3 3.33Å; M112-W164 HydrophobicContact CE-CG 4Å; M112-W164 HydrophobicContact CE-CZ3 4.14Å; M112-W164 HydrophobicContact SD-CE3 3.69Å; M112-W164 HydrophobicContact SD-CZ3 4.2Å; Y148-W164 HydrophobicContact CD2-CB 3.59Å; Y148-W164 HydrophobicContact CD2-CD2 4.13Å; Y148-W164 AromaticContact CD2-CE3 3.62Å; Y148-W164 HydrophobicContact CD2-CE3 3.62Å; Y148-W164 HydrophobicContact CD2-CG 4.18Å; Y148-W164 HydrophobicContact CE2-CB 4.39Å; Y148-W164 HydrophobicContact CE2-CD2 4.17Å; Y148-W164 AromaticContact CE2-CE3 3.52Å; Y148-W164 HydrophobicContact CE2-CE3 3.52Å; Y148-W164 HydrophobicContact CE2-CZ3 4.18Å; Y148-W164 HydrophobicContact CG-CB 3.97Å; W164-L170 HydrophobicContact CD2-CD1 3.63Å; W164-L170 HydrophobicContact CD2-CD2 4.32Å; W164-L170 HydrophobicContact CE3-CD1 3.85Å; W164-L170 HydrophobicContact CG-CD1 4.1Å; W164-L170 HydrophobicContact CH2-CD1 4.21Å; W164-L170 HydrophobicContact CZ2-CD1 4.04Å; W164-L170 HydrophobicContact CZ2-CD2 3.96Å; W164-L170 HydrophobicContact CZ2-CG 4.45Å; W164-L170 HydrophobicContact CZ3-CD1 4.12Å; W164-Y184 AromaticContact CD1-CD1 3.97Å; W164-Y184 AromaticContact NE1-CE1 3.83Å; W164-Y184 WeakPolarHBondContact O-CA 3.26Å; W164-Y184 WeakPolarHBondContact O-CD1 3.28Å; W164-G185 PolarHBondContact O-N 2.94Å; W164-I210 VanDerWaalsContact CD1-CG2 3.42Å; W164-I210 HydrophobicContact CG-CG2 4.24Å; W164-L212 HydrophobicContact CB-CD2 3.9Å; W164-L212 HydrophobicContact CD2-CD2 4.26Å; W164-L212 HydrophobicContact CG-CD2 3.83Å; W164-F368 HydrophobicContact CH2-CB 4.14Å; W164-F368 HydrophobicContact CH2-CD1 4.26Å; W164-F368 HydrophobicContact CH2-CG 4.1Å; W164-W371 HydrophobicContact CZ2-CD2 4.44Å; W164-W371 AromaticContact CZ2-CE2 3.89Å; W164-W371 HydrophobicContact CZ2-CH2 4.28Å; W164-W371 AromaticContact CZ2-CZ2 3.8Å; W164-W371 HydrophobicContact CZ2-CZ2 3.8Å; W164-W371 AromaticContact NE1-CH2 3.85Å; W164-W371 AromaticContact NE1-CZ2 3.76Å
165	G	96.4	Very high	95.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-179.1	173.6	-177.8	0	0	0	0	0	112.5	L183	G165-L183 CarbonylContact C-O 3.58Å; G165-L183 WeakPolarHBondContact CA-O 3.49Å
166	A	97.4	Very high	95.3	Very high	2 Å²	2	30.7 Å²	30.7	2%	0.017	16%	0.157	C	C	.	.			trans	-66.6	128.2	179.6	0	0	0	0	0	110.6	F146 K168 A169 L170 L183	F146-A166 HydrophobicContact CE1-CB 4.15Å; A166-K168 VanDerWaalsContact C-N 3.25Å; A166-K168 HydrophobicContact CB-CG 4.35Å; A166-K168 PolarHBondContact O-N 3.2Å; A166-K168 VanDerWaalsContact O-N 3.08Å; A166-A169 HydrophobicContact CB-CB 4.39Å; A166-A169 WeakPolarHBondContact O-CA 3.46Å; A166-A169 VanDerWaalsContact O-CB 3.3Å; A166-A169 WeakPolarHBondContact O-CB 3.3Å; A166-A169 PolarHBondContact O-N 3.04Å; A166-L170 PolarHBondContact O-N 3.1Å; A166-L183 PolarHBondContact N-O 3.02Å
167	P	96.9	Very high	95.1	Very high	13 Å²	13	30.2 Å²	30.2	8%	0.084	16%	0.161	C	C	.	.	H	α-helix	trans	-50.5	-39.8	-177.8	-31.2	35.8	0	0	0	114.9	N95 M112 G117 A169 L170 V171	N95-P167 HydrophobicContact CB-CG 4.06Å; N95-P167 WeakPolarHBondContact OD1-CB 3.43Å; N95-P167 VanDerWaalsContact OD1-CG 3.23Å; N95-P167 WeakPolarHBondContact OD1-CG 2.95Å; M112-P167 HydrophobicContact CB-CG 4.23Å; G117-P167 WeakPolarHBondContact O-CD 3.3Å; P167-A169 PolarHBondContact O-N 2.98Å; P167-L170 PolarHBondContact O-N 3.45Å; P167-V171 PolarHBondContact O-N 2.94Å; P167-V171 VanDerWaalsContact O-N 3.11Å
168	K	95.7	Very high	94.9	Very high	126 Å²	126	29.8 Å²	29.8	55%	0.548	16%	0.157	S	C	.	.	H	α-helix	trans	-61.4	-25.4	176.8	71.9	-172.7	179.6	-179	0	114.1	G117 A166	G117-K168 WeakPolarHBondContact O-CB 3.21Å; G117-K168 VanDerWaalsContact O-CG 3.26Å; G117-K168 WeakPolarHBondContact O-CG 3.45Å; G117-K168 PolarHBondContact O-N 3.35Å; A166-K168 VanDerWaalsContact C-N 3.25Å; A166-K168 HydrophobicContact CB-CG 4.35Å; A166-K168 PolarHBondContact O-N 3.2Å; A166-K168 VanDerWaalsContact O-N 3.08Å
169	A	95.4	Very high	94.5	Very high	3 Å²	3	32 Å²	32	3%	0.025	17%	0.17	C	C	.	.	H	α-helix	trans	-86.1	-14.6	178.6	0	0	0	0	0	112.9	A166 P167 H178 L183	A166-A169 HydrophobicContact CB-CB 4.39Å; A166-A169 WeakPolarHBondContact O-CA 3.46Å; A166-A169 VanDerWaalsContact O-CB 3.3Å; A166-A169 WeakPolarHBondContact O-CB 3.3Å; A166-A169 PolarHBondContact O-N 3.04Å; P167-A169 PolarHBondContact O-N 2.98Å; A169-H178 PolarHBondContact O-ND1 3.23Å; A169-L183 HydrophobicContact CB-CB 3.85Å; A169-L183 HydrophobicContact CB-CD1 3.87Å; A169-L183 HydrophobicContact CB-CG 4.46Å
170	L	93.4	Very high	94.1	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-100.6	-40.2	-174.6	-57.4	177.2	0	0	0	112.7	M112 W164 A166 P167 H172 G173 Y184 F368 W371	M112-L170 HydrophobicContact CE-CD1 3.38Å; W164-L170 HydrophobicContact CD2-CD1 3.63Å; W164-L170 HydrophobicContact CD2-CD2 4.32Å; W164-L170 HydrophobicContact CE3-CD1 3.85Å; W164-L170 HydrophobicContact CG-CD1 4.1Å; W164-L170 HydrophobicContact CH2-CD1 4.21Å; W164-L170 HydrophobicContact CZ2-CD1 4.04Å; W164-L170 HydrophobicContact CZ2-CD2 3.96Å; W164-L170 HydrophobicContact CZ2-CG 4.45Å; W164-L170 HydrophobicContact CZ3-CD1 4.12Å; A166-L170 PolarHBondContact O-N 3.1Å; P167-L170 PolarHBondContact O-N 3.45Å; L170-H172 PolarHBondContact O-N 3.18Å; L170-G173 PolarHBondContact O-N 3.39Å; L170-Y184 HydrophobicContact CD2-CD1 4.24Å; L170-Y184 HydrophobicContact CD2-CE1 3.31Å; L170-Y184 WeakPolarHBondContact CD2-OH 3.43Å; L170-F368 WeakPolarHBondContact O-CE1 3.34Å; L170-W371 HydrophobicContact CD2-CZ2 4.12Å
171	V	91.3	Very high	93.9	Very high	51 Å²	51	47 Å²	47	31%	0.309	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-23.2	-166.9	66.7	0	0	0	0	115.2	I60 P167	I60-V171 HydrophobicContact CD1-CG2 4.03Å; P167-V171 PolarHBondContact O-N 2.94Å; P167-V171 VanDerWaalsContact O-N 3.11Å
172	H	89.6	Confident	93.7	Very high	175 Å²	175	49 Å²	49	81%	0.81	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	13.3	-179.6	-60.2	-43.3	0	0	0	114	L170	L170-H172 PolarHBondContact O-N 3.18Å
173	G	91.5	Very high	93.6	Very high	6 Å²	6	50.9 Å²	50.9	6%	0.062	27%	0.268	C	S	.	.			trans	103.2	174.2	-177.4	0	0	0	0	0	113.1	L170	L170-G173 PolarHBondContact O-N 3.39Å
174	F	91	Very high	93.5	Very high	27 Å²	27	51.3 Å²	51.3	12%	0.118	27%	0.269	C	S	.	.			trans	-77.8	123.6	178.9	-179.2	-107	0	0	0	111.5	P176 V179 Y184 L231 W371 Q374 F375	F174-P176 HydrophobicContact CD1-CG 4.34Å; F174-P176 HydrophobicContact CE1-CB 4.4Å; F174-P176 HydrophobicContact CE1-CG 3.82Å; F174-V179 HydrophobicContact CE2-CG2 3.85Å; F174-V179 HydrophobicContact CZ-CG2 3.9Å; F174-Y184 HydrophobicContact CD2-CE1 4.43Å; F174-Y184 AromaticContact CD2-CZ 3.95Å; F174-Y184 WeakPolarHBondContact CD2-OH 3.5Å; F174-Y184 HydrophobicContact CE2-CE1 4.5Å; F174-Y184 HydrophobicContact CE2-CE2 4.43Å; F174-L231 HydrophobicContact CE1-CD1 4.48Å; F174-L231 HydrophobicContact CE2-CD1 4.19Å; F174-L231 HydrophobicContact CZ-CD1 3.68Å; F174-W371 HydrophobicContact CB-CD2 4.19Å; F174-W371 HydrophobicContact CB-CE3 4.5Å; F174-W371 HydrophobicContact CB-CH2 4.27Å; F174-W371 HydrophobicContact CB-CZ2 3.93Å; F174-W371 AromaticContact CD2-CH2 3.65Å; F174-W371 HydrophobicContact CD2-CH2 3.65Å; F174-W371 AromaticContact CD2-CZ2 3.69Å; F174-W371 HydrophobicContact CD2-CZ2 3.69Å; F174-W371 HydrophobicContact CD2-CZ3 4.42Å; F174-W371 HydrophobicContact CE2-CH2 4.41Å; F174-W371 HydrophobicContact CG-CH2 4.26Å; F174-W371 HydrophobicContact CG-CZ2 4.24Å; F174-Q374 PolarHBondContact O-NE2 2.83Å; F174-Q374 PolarHBondContact O-OE1 2.95Å; F174-F375 HydrophobicContact CB-CE2 3.88Å; F174-F375 HydrophobicContact CB-CZ 4.14Å; F174-F375 HydrophobicContact CD1-CZ 4.25Å
175	N	91.4	Very high	93.5	Very high	63 Å²	63	51.2 Å²	51.2	34%	0.337	27%	0.27	S	S	.	.			trans	-117.6	115.7	171.3	179.5	1.2	0	0	0	109.9	A177 H178	N175-A177 PolarHBondContact O-N 3.05Å; N175-A177 VanDerWaalsContact O-N 3.1Å; N175-A177 WeakPolarHBondContact OD1-CB 3.42Å; N175-A177 PolarHBondContact OD1-N 3.06Å; N175-H178 HydrophobicContact CB-CB 4.46Å; N175-H178 PolarHBondContact ND2-CD2 3.48Å; N175-H178 PolarHBondContact ND2-NE2 2.92Å; N175-H178 VanDerWaalsContact ND2-NE2 3.18Å; N175-H178 WeakPolarHBondContact O-CB 3.43Å; N175-H178 PolarHBondContact O-N 3Å
176	P	88.3	Confident	93.5	Very high	54 Å²	54	53 Å²	53	35%	0.351	28%	0.283	S	S	.	.	H	α-helix	trans	-56.8	-25.9	177.6	-24.5	32.3	0	0	0	114.6	F174 H178 V179 M263	F174-P176 HydrophobicContact CD1-CG 4.34Å; F174-P176 HydrophobicContact CE1-CB 4.4Å; F174-P176 HydrophobicContact CE1-CG 3.82Å; P176-H178 VanDerWaalsContact C-N 3.34Å; P176-V179 WeakPolarHBondContact O-CB 3.42Å; P176-V179 PolarHBondContact O-N 3.23Å; P176-M263 HydrophobicContact CG-CE 4Å
177	A	92	Very high	93.6	Very high	38 Å²	38	53 Å²	53	31%	0.314	28%	0.283	S	S	.	.	H	α-helix	trans	-65.8	-37.6	176.8	0	0	0	0	0	112	N175 V179 K180 E181	N175-A177 PolarHBondContact O-N 3.05Å; N175-A177 VanDerWaalsContact O-N 3.1Å; N175-A177 WeakPolarHBondContact OD1-CB 3.42Å; N175-A177 PolarHBondContact OD1-N 3.06Å; A177-V179 PolarHBondContact O-N 3.09Å; A177-K180 WeakPolarHBondContact O-CB 3.21Å; A177-K180 PolarHBondContact O-N 3.14Å; A177-E181 WeakPolarHBondContact O-CG 3.38Å; A177-E181 PolarHBondContact O-N 2.82Å
178	H	94.2	Very high	93.7	Very high	43 Å²	43	52.4 Å²	52.4	20%	0.199	28%	0.279	C	S	.	.	H	α-helix	trans	-62.3	-26.8	178.7	-67.7	173.5	0	0	0	112.4	A169 N175 P176 E181 G182 L183 Y184	A169-H178 PolarHBondContact O-ND1 3.23Å; N175-H178 HydrophobicContact CB-CB 4.46Å; N175-H178 PolarHBondContact ND2-CD2 3.48Å; N175-H178 PolarHBondContact ND2-NE2 2.92Å; N175-H178 VanDerWaalsContact ND2-NE2 3.18Å; N175-H178 WeakPolarHBondContact O-CB 3.43Å; N175-H178 PolarHBondContact O-N 3Å; P176-H178 VanDerWaalsContact C-N 3.34Å; H178-E181 IonicContact CD2-OE2 3.54Å; H178-E181 PolarHBondContact CD2-OE2 2.8Å; H178-E181 PolarHBondContact O-N 2.98Å; H178-G182 PolarHBondContact O-N 2.74Å; H178-L183 HydrophobicContact CB-CB 4.18Å; H178-L183 HydrophobicContact CB-CD1 3.93Å; H178-L183 HydrophobicContact CB-CG 4.49Å; H178-L183 WeakPolarHBondContact O-CB 3.36Å; H178-L183 PolarHBondContact O-N 2.95Å; H178-Y184 HydrophobicContact CB-CD2 4.27Å; H178-Y184 HydrophobicContact CB-CE2 3.7Å
179	V	89.9	Confident	93.8	Very high	48 Å²	48	46.6 Å²	46.6	29%	0.291	25%	0.253	S	S	.	.	H	α-helix	trans	-64.4	-45.2	172.4	-177.7	0	0	0	0	110.4	F174 P176 A177 E181 G182 Y184 L231	F174-V179 HydrophobicContact CE2-CG2 3.85Å; F174-V179 HydrophobicContact CZ-CG2 3.9Å; P176-V179 WeakPolarHBondContact O-CB 3.42Å; P176-V179 PolarHBondContact O-N 3.23Å; A177-V179 PolarHBondContact O-N 3.09Å; V179-E181 VanDerWaalsContact C-N 3.29Å; V179-E181 PolarHBondContact O-N 3.12Å; V179-G182 PolarHBondContact O-N 3.01Å; V179-Y184 HydrophobicContact CB-CD2 4.43Å; V179-Y184 HydrophobicContact CG2-CD2 3.8Å; V179-Y184 HydrophobicContact CG2-CE2 4.09Å; V179-Y184 HydrophobicContact CG2-CG 4.42Å; V179-L231 HydrophobicContact CG1-CD2 3.99Å; V179-L231 HydrophobicContact CG2-CD2 4.08Å
180	K	90	Very high	94	Very high	195 Å²	195	46.4 Å²	46.4	85%	0.848	25%	0.252	S	S	*	.	H	α-helix	trans	-69.8	-27.9	178	-63.5	-178.4	179.1	179.6	0	112.8	A177 G182	A177-K180 WeakPolarHBondContact O-CB 3.21Å; A177-K180 PolarHBondContact O-N 3.14Å; K180-G182 PolarHBondContact O-N 3.42Å
181	E	94.7	Very high	94.2	Very high	122 Å²	122	46.2 Å²	46.2	57%	0.57	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-4.1	174.8	-67.3	165.1	-164.4	0	0	113	A177 H178 V179 L183	A177-E181 WeakPolarHBondContact O-CG 3.38Å; A177-E181 PolarHBondContact O-N 2.82Å; H178-E181 IonicContact CD2-OE2 3.54Å; H178-E181 PolarHBondContact CD2-OE2 2.8Å; H178-E181 PolarHBondContact O-N 2.98Å; V179-E181 VanDerWaalsContact C-N 3.29Å; V179-E181 PolarHBondContact O-N 3.12Å; E181-L183 HydrophobicContact CB-CD1 4.34Å; E181-L183 HydrophobicContact CB-CG 4.13Å
182	G	94.5	Very high	94.6	Very high	44 Å²	44	45.1 Å²	45.1	45%	0.454	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	28.5	179	0	0	0	0	0	113.7	F146 H178 V179 K180 Y184	F146-G182 WeakPolarHBondContact CZ-O 3.22Å; H178-G182 PolarHBondContact O-N 2.74Å; V179-G182 PolarHBondContact O-N 3.01Å; K180-G182 PolarHBondContact O-N 3.42Å; G182-Y184 VanDerWaalsContact C-N 3.32Å
183	L	96.6	Very high	94.9	Very high	39 Å²	39	38.6 Å²	38.6	20%	0.204	21%	0.212	C	C	.	.			trans	-90.1	5.1	179.4	-58.2	178.9	0	0	0	113.7	G165 A166 A169 H178 E181	G165-L183 CarbonylContact C-O 3.58Å; G165-L183 WeakPolarHBondContact CA-O 3.49Å; A166-L183 PolarHBondContact N-O 3.02Å; A169-L183 HydrophobicContact CB-CB 3.85Å; A169-L183 HydrophobicContact CB-CD1 3.87Å; A169-L183 HydrophobicContact CB-CG 4.46Å; H178-L183 HydrophobicContact CB-CB 4.18Å; H178-L183 HydrophobicContact CB-CD1 3.93Å; H178-L183 HydrophobicContact CB-CG 4.49Å; H178-L183 WeakPolarHBondContact O-CB 3.36Å; H178-L183 PolarHBondContact O-N 2.95Å; E181-L183 HydrophobicContact CB-CD1 4.34Å; E181-L183 HydrophobicContact CB-CG 4.13Å
184	Y	96.8	Very high	95.2	Very high	19 Å²	19	43.1 Å²	43.1	8%	0.075	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-127.6	145.3	176.9	-70.9	-92.2	0	0	0	109.8	W164 L170 F174 H178 V179 G182 I210 W371	W164-Y184 AromaticContact CD1-CD1 3.97Å; W164-Y184 AromaticContact NE1-CE1 3.83Å; W164-Y184 WeakPolarHBondContact O-CA 3.26Å; W164-Y184 WeakPolarHBondContact O-CD1 3.28Å; L170-Y184 HydrophobicContact CD2-CD1 4.24Å; L170-Y184 HydrophobicContact CD2-CE1 3.31Å; L170-Y184 WeakPolarHBondContact CD2-OH 3.43Å; F174-Y184 HydrophobicContact CD2-CE1 4.43Å; F174-Y184 AromaticContact CD2-CZ 3.95Å; F174-Y184 WeakPolarHBondContact CD2-OH 3.5Å; F174-Y184 HydrophobicContact CE2-CE1 4.5Å; F174-Y184 HydrophobicContact CE2-CE2 4.43Å; H178-Y184 HydrophobicContact CB-CD2 4.27Å; H178-Y184 HydrophobicContact CB-CE2 3.7Å; V179-Y184 HydrophobicContact CB-CD2 4.43Å; V179-Y184 HydrophobicContact CG2-CD2 3.8Å; V179-Y184 HydrophobicContact CG2-CE2 4.09Å; V179-Y184 HydrophobicContact CG2-CG 4.42Å; G182-Y184 VanDerWaalsContact C-N 3.32Å; Y184-I210 HydrophobicContact CD1-CD1 3.37Å; Y184-I210 HydrophobicContact CD1-CG1 3.73Å; Y184-I210 HydrophobicContact CE1-CD1 3.78Å; Y184-I210 HydrophobicContact CG-CD1 4.06Å; Y184-I210 HydrophobicContact CG-CG1 4.24Å; Y184-W371 HydrophobicContact CE1-CH2 4.44Å; Y184-W371 HydrophobicContact CE1-CZ2 4.08Å
185	G	96.8	Very high	95.5	Very high	3 Å²	3	44.7 Å²	44.7	3%	0.031	25%	0.25	C	S	.	.			trans	-86.6	169.4	-179.5	0	0	0	0	0	114.5	E163 W164 I210	E163-G185 WeakPolarHBondContact OE2-CA 3.36Å; W164-G185 PolarHBondContact O-N 2.94Å; G185-I210 PolarHBondContact O-N 3.28Å
186	S	97.1	Very high	95.8	Very high	38 Å²	38	44.4 Å²	44.4	27%	0.266	25%	0.247	S	C	.	.			trans	-153.4	19.1	-178.9	60.7	0	0	0	0	113	E163 L204	E163-S186 PolarHBondContact OE2-N 3.03Å; S186-L204 WeakPolarHBondContact O-CB 3.37Å; S186-L204 PolarHBondContact O-N 3.32Å
187	A	98.4	Very high	96.2	Very high	2 Å²	2	48.5 Å²	48.5	2%	0.017	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	160.1	-175.2	0	0	0	0	0	113.1	E163 T201 L202 P211	E163-A187 PolarHBondContact OE2-N 3.5Å; A187-T201 HydrophobicContact CB-CG2 3.64Å; A187-L202 VanDerWaalsContact CA-O 3.27Å; A187-L202 WeakPolarHBondContact CA-O 3.24Å; A187-P211 WeakPolarHBondContact O-CG 3.49Å
188	L	98.9	Very high	96.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	146.5	162.9	-51.9	178	0	0	0	109.1	I160 S161 T162 T201 L202 L204 P211 V227 F238	I160-L188 HydrophobicContact CG2-CB 4.12Å; I160-L188 HydrophobicContact CG2-CD1 4.41Å; S161-L188 WeakPolarHBondContact O-CA 3.45Å; T162-L188 HydrophobicContact CG2-CD2 3.71Å; L188-T201 CarbonylContact O-C 3.54Å; L188-T201 WeakPolarHBondContact O-CA 3.31Å; L188-L202 HydrophobicContact CB-CB 4.19Å; L188-L202 HydrophobicContact CB-CD1 4.43Å; L188-L202 HydrophobicContact CD1-CD1 4.42Å; L188-L202 PolarHBondContact N-O 2.76Å; L188-L202 PolarHBondContact O-N 2.72Å; L188-L204 HydrophobicContact CD1-CD1 4.46Å; L188-L204 HydrophobicContact CD1-CD2 4.28Å; L188-L204 HydrophobicContact CD2-CD1 4.22Å; L188-L204 HydrophobicContact CG-CD1 3.99Å; L188-L204 HydrophobicContact CG-CD2 4.25Å; L188-L204 HydrophobicContact CG-CG 4.33Å; L188-P211 HydrophobicContact CD2-CB 4.05Å; L188-V227 HydrophobicContact CD1-CG1 4.04Å; L188-V227 HydrophobicContact CD2-CB 4.26Å; L188-V227 HydrophobicContact CD2-CG1 4.08Å; L188-V227 HydrophobicContact CD2-CG2 4.02Å; L188-F238 HydrophobicContact CD1-CB 4.11Å; L188-F238 HydrophobicContact CD1-CD1 4.26Å; L188-F238 HydrophobicContact CD1-CG 4.49Å
189	H	98.8	Very high	96.7	Very high	3 Å²	3	51.8 Å²	51.8	1%	0.014	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	128.6	172.1	-55.4	-66.5	0	0	0	110.2	A144 I160 S161 E163 W191 K198 Q200 T201	A144-H189 WeakPolarHBondContact CB-CD2 3.21Å; A144-H189 WeakPolarHBondContact CB-NE2 3.2Å; I160-H189 VanDerWaalsContact CA-O 3.31Å; I160-H189 WeakPolarHBondContact CA-O 3.45Å; S161-H189 PolarHBondContact N-O 2.99Å; S161-H189 PolarHBondContact O-N 3.38Å; E163-H189 IonicContact OE1-CE1 3.63Å; E163-H189 IonicContact OE1-NE2 3.23Å; E163-H189 PolarHBondContact OE1-NE2 2.85Å; E163-H189 VanDerWaalsContact OE1-NE2 3.09Å; H189-W191 HydrophobicContact CB-CZ2 4.01Å; H189-W191 PolarHBondContact O-NE1 3.21Å; H189-K198 HydrophobicContact CB-CD 4.09Å; H189-K198 HydrophobicContact CB-CG 4.47Å; H189-Q200 WeakPolarHBondContact CA-O 3.32Å; H189-T201 PolarHBondContact ND1-OG1 2.86Å; H189-T201 VanDerWaalsContact ND1-OG1 3.12Å
190	V	98.8	Very high	97.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	128.4	177.3	-175.9	0	0	0	0	108	V158 L199 Q200 L202 W246	V158-V190 HydrophobicContact CG2-CG1 3.75Å; V190-L199 HydrophobicContact CG1-CB 4.48Å; V190-L199 PolarHBondContact O-N 2.96Å; V190-Q200 HydrophobicContact CB-CB 4.02Å; V190-Q200 HydrophobicContact CG2-CB 4.13Å; V190-Q200 PolarHBondContact N-O 2.83Å; V190-Q200 PolarHBondContact O-N 2.91Å; V190-L202 HydrophobicContact CG2-CD1 4.02Å; V190-L202 HydrophobicContact CG2-CG 4.09Å; V190-W246 VanDerWaalsContact CG1-CD1 3.48Å; V190-W246 HydrophobicContact CG1-CG 4Å; V190-W246 HydrophobicContact CG2-CB 3.92Å; V190-W246 HydrophobicContact CG2-CG 4.06Å
191	W	98.8	Very high	97.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	143.1	-176.1	-50.2	78.1	0	0	0	110.4	F123 W137 E138 E142 A144 V158 M159 S161 H189 W193 R197 K198	F123-W191 HydrophobicContact CE2-CH2 4.26Å; F123-W191 AromaticContact CE2-CZ2 3.92Å; F123-W191 HydrophobicContact CE2-CZ2 3.92Å; F123-W191 HydrophobicContact CZ-CZ2 4.38Å; W137-W191 HydrophobicContact CH2-CB 3.79Å; W137-W191 HydrophobicContact CH2-CG 4.42Å; W137-W191 HydrophobicContact CZ3-CB 4.01Å; W137-W191 HydrophobicContact CZ3-CD2 4.12Å; W137-W191 AromaticContact CZ3-CE3 3.97Å; W137-W191 HydrophobicContact CZ3-CE3 3.97Å; W137-W191 HydrophobicContact CZ3-CG 4.17Å; E138-W191 HydrophobicContact CB-CH2 4.48Å; E138-W191 HydrophobicContact CB-CZ3 3.9Å; E142-W191 HydrophobicContact CB-CZ3 4.09Å; E142-W191 VanDerWaalsContact O-CH2 3.3Å; E142-W191 WeakPolarHBondContact O-CH2 3.46Å; A144-W191 HydrophobicContact CB-CZ2 4.28Å; V158-W191 WeakPolarHBondContact CA-O 3.4Å; M159-W191 HydrophobicContact CB-CB 4.29Å; M159-W191 HydrophobicContact CE-CB 3.81Å; M159-W191 HydrophobicContact CE-CD2 3.78Å; M159-W191 HydrophobicContact CE-CG 3.31Å; M159-W191 PolarHBondContact N-O 2.95Å; M159-W191 PolarHBondContact O-N 3.05Å; S161-W191 PolarHBondContact OG-NE1 2.89Å; H189-W191 HydrophobicContact CB-CZ2 4.01Å; H189-W191 PolarHBondContact O-NE1 3.21Å; W191-W193 PolarHBondContact O-N 2.76Å; W191-R197 CarbonylContact C-O 3.6Å; W191-R197 WeakPolarHBondContact CA-O 3.44Å; W191-K198 HydrophobicContact CD2-CB 4.24Å; W191-K198 HydrophobicContact CD2-CG 4.4Å; W191-K198 HydrophobicContact CE3-CB 3.74Å; W191-K198 HydrophobicContact CE3-CG 4.37Å; W191-K198 HydrophobicContact CH2-CB 4.27Å; W191-K198 HydrophobicContact CH2-CD 4.09Å; W191-K198 HydrophobicContact CZ2-CD 4.13Å; W191-K198 HydrophobicContact CZ3-CB 3.77Å; W191-K198 HydrophobicContact CZ3-CD 4.44Å; W191-K198 HydrophobicContact CZ3-CG 4.42Å
192	D	98.1	Very high	97.7	Very high	28 Å²	28	41 Å²	41	15%	0.15	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	116.3	167.6	-171.6	-73.6	0	0	0	108.8	N157 T194 T195 H196 R197 L199	N157-D192 PolarHBondContact ND2-OD1 3.24Å; N157-D192 PolarHBondContact ND2-OD2 2.94Å; D192-T194 VanDerWaalsContact C-N 3.3Å; D192-T194 PolarHBondContact O-N 3.38Å; D192-T194 PolarHBondContact OD1-N 2.89Å; D192-T194 VanDerWaalsContact OD1-N 3.11Å; D192-T195 WeakPolarHBondContact CB-OG1 3.48Å; D192-T195 WeakPolarHBondContact OD1-CG2 3.34Å; D192-T195 PolarHBondContact OD1-N 3.31Å; D192-T195 PolarHBondContact OD1-OG1 2.85Å; D192-H196 WeakPolarHBondContact O-CA 3.46Å; D192-H196 PolarHBondContact O-N 3.04Å; D192-R197 PolarHBondContact N-O 2.82Å; D192-L199 HydrophobicContact CB-CD1 3.84Å; D192-L199 HydrophobicContact CB-CD2 3.98Å; D192-L199 HydrophobicContact CB-CG 3.89Å
193	W	97.3	Very high	97.8	Very high	39 Å²	39	45.3 Å²	45.3	15%	0.148	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-32.9	-173.5	177.2	-110.1	0	0	0	113.5	L102 M108 W137 Y152 N157 M159 W191 H196	L102-W193 HydrophobicContact CD1-CH2 4.12Å; L102-W193 HydrophobicContact CD1-CZ2 4.48Å; L102-W193 HydrophobicContact CD2-CH2 3.64Å; L102-W193 HydrophobicContact CD2-CZ2 4.21Å; L102-W193 HydrophobicContact CG-CH2 4.45Å; M108-W193 HydrophobicContact CE-CH2 4.22Å; M108-W193 HydrophobicContact CE-CZ3 3.84Å; W137-W193 HydrophobicContact CH2-CE3 4.34Å; W137-W193 HydrophobicContact CZ2-CD2 4.42Å; W137-W193 AromaticContact CZ2-CE3 3.59Å; W137-W193 HydrophobicContact CZ2-CE3 3.59Å; W137-W193 AromaticContact CZ2-CZ3 3.87Å; W137-W193 HydrophobicContact CZ2-CZ3 3.87Å; Y152-W193 AromaticContact CD1-CH2 3.82Å; Y152-W193 HydrophobicContact CD1-CH2 3.82Å; Y152-W193 AromaticContact CD1-CZ3 3.97Å; Y152-W193 HydrophobicContact CD1-CZ3 3.97Å; Y152-W193 HydrophobicContact CD2-CD2 4.37Å; Y152-W193 HydrophobicContact CD2-CE3 4.4Å; Y152-W193 AromaticContact CD2-CH2 3.87Å; Y152-W193 HydrophobicContact CD2-CH2 3.87Å; Y152-W193 AromaticContact CD2-CZ2 3.82Å; Y152-W193 HydrophobicContact CD2-CZ2 3.82Å; Y152-W193 HydrophobicContact CD2-CZ3 4.16Å; Y152-W193 HydrophobicContact CE1-CH2 4.1Å; Y152-W193 HydrophobicContact CE2-CH2 4.19Å; Y152-W193 AromaticContact CE2-CZ2 3.97Å; Y152-W193 HydrophobicContact CE2-CZ2 3.97Å; Y152-W193 HydrophobicContact CG-CE3 4.11Å; Y152-W193 AromaticContact CG-CH2 3.7Å; Y152-W193 HydrophobicContact CG-CH2 3.7Å; Y152-W193 HydrophobicContact CG-CZ2 4.14Å; Y152-W193 AromaticContact CG-CZ3 3.68Å; Y152-W193 HydrophobicContact CG-CZ3 3.68Å; N157-W193 VanDerWaalsContact C-CB 3.4Å; N157-W193 PolarHBondContact O-N 3.38Å; N157-W193 WeakPolarHBondContact OD1-CB 3.43Å; M159-W193 HydrophobicContact CB-CE3 3.97Å; M159-W193 HydrophobicContact CB-CZ3 4.41Å; M159-W193 HydrophobicContact SD-CZ3 4.44Å; W191-W193 PolarHBondContact O-N 2.76Å; W193-H196 PolarHBondContact O-CD2 3.04Å
194	T	96.6	Very high	97.9	Very high	100 Å²	100	44.1 Å²	44.1	61%	0.613	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-38.4	-175.1	-63.8	0	0	0	0	112	N157 D192 H196	N157-T194 WeakPolarHBondContact OD1-CB 3.48Å; N157-T194 PolarHBondContact OD1-N 2.72Å; N157-T194 PolarHBondContact OD1-OG1 2.68Å; D192-T194 VanDerWaalsContact C-N 3.3Å; D192-T194 PolarHBondContact O-N 3.38Å; D192-T194 PolarHBondContact OD1-N 2.89Å; D192-T194 VanDerWaalsContact OD1-N 3.11Å; T194-H196 PolarHBondContact O-CD2 2.91Å
195	T	97.5	Very high	97.8	Very high	61 Å²	61	45 Å²	45	37%	0.374	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-9.1	-177.4	67.8	0	0	0	0	113.3	H139 D192 R197	H139-T195 PolarHBondContact CD2-O 3.4Å; H139-T195 PolarHBondContact NE2-O 3.33Å; D192-T195 WeakPolarHBondContact CB-OG1 3.48Å; D192-T195 WeakPolarHBondContact OD1-CG2 3.34Å; D192-T195 PolarHBondContact OD1-N 3.31Å; D192-T195 PolarHBondContact OD1-OG1 2.85Å; T195-R197 PolarHBondContact O-N 3.3Å
196	H	97.6	Very high	97.6	Very high	57 Å²	57	51.9 Å²	51.9	26%	0.264	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	33.4	178.4	-48.8	-176.6	0	0	0	113.2	W137 D192 W193 T194	W137-H196 AromaticContact CD1-CE1 3.5Å; W137-H196 VanDerWaalsContact CD1-CE1 3.5Å; W137-H196 AromaticContact CD1-ND1 3.63Å; W137-H196 AromaticContact CD1-NE2 3.85Å; W137-H196 HydrophobicContact CD2-CB 4.21Å; W137-H196 AromaticContact CE2-CD2 3.55Å; W137-H196 AromaticContact CE2-CG 3.61Å; W137-H196 AromaticContact CE2-ND1 3.99Å; W137-H196 AromaticContact CE2-NE2 3.93Å; W137-H196 HydrophobicContact CE3-CB 4.39Å; W137-H196 HydrophobicContact CH2-CB 4.33Å; W137-H196 HydrophobicContact CZ2-CB 4.13Å; W137-H196 AromaticContact CZ2-CD2 3.66Å; W137-H196 AromaticContact CZ2-CG 3.93Å; W137-H196 HydrophobicContact CZ3-CB 4.45Å; W137-H196 AromaticContact NE1-CD2 3.37Å; W137-H196 PolarHBondContact NE1-CD2 2.92Å; W137-H196 AromaticContact NE1-CE1 3.38Å; W137-H196 PolarHBondContact NE1-CE1 2.74Å; W137-H196 AromaticContact NE1-CG 3.61Å; W137-H196 AromaticContact NE1-ND1 3.6Å; W137-H196 AromaticContact NE1-NE2 3.23Å; W137-H196 PolarHBondContact NE1-NE2 3.1Å; W137-H196 VanDerWaalsContact O-CB 3.28Å; W137-H196 WeakPolarHBondContact O-CB 3.27Å; W137-H196 PolarHBondContact O-ND1 3.37Å; D192-H196 WeakPolarHBondContact O-CA 3.46Å; D192-H196 PolarHBondContact O-N 3.04Å; W193-H196 PolarHBondContact O-CD2 3.04Å; T194-H196 PolarHBondContact O-CD2 2.91Å
197	R	97.7	Very high	97.4	Very high	139 Å²	139	53.4 Å²	53.4	53%	0.525	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	141.8	-179.7	-72.8	-177.2	178.1	-135.2	-0.2	111.3	W191 D192 T195 L199	W191-R197 CarbonylContact C-O 3.6Å; W191-R197 WeakPolarHBondContact CA-O 3.44Å; D192-R197 PolarHBondContact N-O 2.82Å; T195-R197 PolarHBondContact O-N 3.3Å; R197-L199 PolarHBondContact O-N 3.35Å
198	K	97.7	Very high	97.2	Very high	59 Å²	59	53.3 Å²	53.3	26%	0.257	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	122.6	171.1	-168.5	164.8	60.2	-152.8	0	109	E142 A143 H189 W191	E142-K198 PolarHBondContact O-NZ 2.93Å; E142-K198 VanDerWaalsContact OE2-CB 3.23Å; E142-K198 WeakPolarHBondContact OE2-CB 3.46Å; E142-K198 PolarHBondContact OE2-N 2.89Å; E142-K198 VanDerWaalsContact OE2-N 3.1Å; A143-K198 PolarHBondContact O-NZ 2.84Å; H189-K198 HydrophobicContact CB-CD 4.09Å; H189-K198 HydrophobicContact CB-CG 4.47Å; W191-K198 HydrophobicContact CD2-CB 4.24Å; W191-K198 HydrophobicContact CD2-CG 4.4Å; W191-K198 HydrophobicContact CE3-CB 3.74Å; W191-K198 HydrophobicContact CE3-CG 4.37Å; W191-K198 HydrophobicContact CH2-CB 4.27Å; W191-K198 HydrophobicContact CH2-CD 4.09Å; W191-K198 HydrophobicContact CZ2-CD 4.13Å; W191-K198 HydrophobicContact CZ3-CB 3.77Å; W191-K198 HydrophobicContact CZ3-CD 4.44Å; W191-K198 HydrophobicContact CZ3-CG 4.42Å
199	L	97.3	Very high	97	Very high	92 Å²	92	53.9 Å²	53.9	48%	0.482	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-44.1	179.7	-64.1	178.4	0	0	0	111.4	V190 D192 R197	V190-L199 HydrophobicContact CG1-CB 4.48Å; V190-L199 PolarHBondContact O-N 2.96Å; D192-L199 HydrophobicContact CB-CD1 3.84Å; D192-L199 HydrophobicContact CB-CD2 3.98Å; D192-L199 HydrophobicContact CB-CG 3.89Å; R197-L199 PolarHBondContact O-N 3.35Å
200	Q	98.4	Very high	96.9	Very high	56 Å²	56	53.8 Å²	53.8	26%	0.262	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	153.3	-170.6	-54.9	180	-2.8	0	0	111.2	H189 V190 L202 W246	H189-Q200 WeakPolarHBondContact CA-O 3.32Å; V190-Q200 HydrophobicContact CB-CB 4.02Å; V190-Q200 HydrophobicContact CG2-CB 4.13Å; V190-Q200 PolarHBondContact N-O 2.83Å; V190-Q200 PolarHBondContact O-N 2.91Å; Q200-L202 HydrophobicContact CB-CD2 4.48Å; Q200-W246 PolarHBondContact OE1-O 3.49Å
201	T	98.6	Very high	96.9	Very high	62 Å²	62	53.8 Å²	53.8	38%	0.38	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	124.8	163.4	-63.5	0	0	0	0	107.4	A187 L188 H189 E203	A187-T201 HydrophobicContact CB-CG2 3.64Å; L188-T201 CarbonylContact O-C 3.54Å; L188-T201 WeakPolarHBondContact O-CA 3.31Å; H189-T201 PolarHBondContact ND1-OG1 2.86Å; H189-T201 VanDerWaalsContact ND1-OG1 3.12Å; T201-E203 WeakPolarHBondContact CG2-OE1 3.28Å
202	L	98.8	Very high	96.8	Very high	19 Å²	19	54.1 Å²	54.1	10%	0.099	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	102.5	177.1	-51	-179.7	0	0	0	108.2	A187 L188 V190 Q200 L204 W246 A248	A187-L202 VanDerWaalsContact CA-O 3.27Å; A187-L202 WeakPolarHBondContact CA-O 3.24Å; L188-L202 HydrophobicContact CB-CB 4.19Å; L188-L202 HydrophobicContact CB-CD1 4.43Å; L188-L202 HydrophobicContact CD1-CD1 4.42Å; L188-L202 PolarHBondContact N-O 2.76Å; L188-L202 PolarHBondContact O-N 2.72Å; V190-L202 HydrophobicContact CG2-CD1 4.02Å; V190-L202 HydrophobicContact CG2-CG 4.09Å; Q200-L202 HydrophobicContact CB-CD2 4.48Å; L202-L204 PolarHBondContact O-N 3.37Å; L202-W246 HydrophobicContact CD1-CB 4.06Å; L202-W246 HydrophobicContact CD2-CB 4.39Å; L202-W246 VanDerWaalsContact CD2-O 3.28Å; L202-W246 WeakPolarHBondContact CD2-O 2.84Å; L202-A248 HydrophobicContact CD1-CB 4.43Å
203	E	98	Very high	96.8	Very high	136 Å²	136	52.9 Å²	52.9	64%	0.636	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	119.7	174.8	-62.1	-60.7	159.5	0	0	110	T201	T201-E203 WeakPolarHBondContact CG2-OE1 3.28Å
204	L	97.9	Very high	96.9	Very high	14 Å²	14	51 Å²	51	7%	0.073	27%	0.265	C	S	.	.			trans	-93.4	-6.9	-179.8	-52.1	-177.4	0	0	0	112.7	S186 L188 L202 G208 P211 V227 F236 A248	S186-L204 WeakPolarHBondContact O-CB 3.37Å; S186-L204 PolarHBondContact O-N 3.32Å; L188-L204 HydrophobicContact CD1-CD1 4.46Å; L188-L204 HydrophobicContact CD1-CD2 4.28Å; L188-L204 HydrophobicContact CD2-CD1 4.22Å; L188-L204 HydrophobicContact CG-CD1 3.99Å; L188-L204 HydrophobicContact CG-CD2 4.25Å; L188-L204 HydrophobicContact CG-CG 4.33Å; L202-L204 PolarHBondContact O-N 3.37Å; L204-G208 PolarHBondContact O-N 2.99Å; L204-P211 HydrophobicContact CD1-CB 4.15Å; L204-V227 HydrophobicContact CD1-CG1 4.27Å; L204-F236 HydrophobicContact CB-CE1 4.21Å; L204-F236 HydrophobicContact CB-CZ 4.24Å; L204-F236 HydrophobicContact CD1-CG 4.43Å; L204-F236 HydrophobicContact CD2-CD1 3.94Å; L204-F236 HydrophobicContact CD2-CE1 4.33Å; L204-F236 HydrophobicContact CD2-CG 4.34Å; L204-A248 HydrophobicContact CD2-CB 3.53Å
205	G	94.6	Very high	97	Very high	38 Å²	38	46.6 Å²	46.6	39%	0.392	24%	0.237	S	C	.	.			trans	67.6	-165.5	-178.1	0	0	0	0	0	113.2	D207 G208 A209	G205-D207 VanDerWaalsContact C-N 3.25Å; G205-D207 PolarHBondContact O-N 3.28Å; G205-G208 PolarHBondContact O-N 3.05Å; G205-G208 VanDerWaalsContact O-N 3.08Å; G205-A209 PolarHBondContact O-N 3.09Å
206	E	92.1	Very high	97	Very high	147 Å²	147	43.7 Å²	43.7	69%	0.687	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-60.6	-35.2	-176.8	-66.1	-168.9	-174	0	0	113.2	G208 A209 R232	E206-G208 PolarHBondContact O-N 2.92Å; E206-A209 WeakPolarHBondContact O-CB 3.28Å; E206-A209 PolarHBondContact O-N 2.83Å; E206-R232 WeakPolarHBondContact O-CG 3.14Å; E206-R232 IonicContact OE2-NH2 3.16Å
207	D	93.4	Very high	97.1	Very high	69 Å²	69	41.5 Å²	41.5	37%	0.369	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-65.8	-26.1	178.7	-77.3	-18	0	0	0	112.5	G205 C234 F236 K250	G205-D207 VanDerWaalsContact C-N 3.25Å; G205-D207 PolarHBondContact O-N 3.28Å; D207-C234 WeakPolarHBondContact O-CB 3.29Å; D207-F236 HydrophobicContact CB-CE2 4.23Å; D207-F236 HydrophobicContact CB-CZ 3.92Å; D207-K250 HydrophobicContact CB-CD 4.31Å; D207-K250 IonicContact OD1-NZ 2.67Å; D207-K250 IonicContact OD2-NZ 2.77Å; D207-K250 PolarHBondContact OD2-NZ 3.3Å
208	G	94.9	Very high	97.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-101.8	17.5	178.9	0	0	0	0	0	114.5	L204 G205 E206 P211 C229	L204-G208 PolarHBondContact O-N 2.99Å; G205-G208 PolarHBondContact O-N 3.05Å; G205-G208 VanDerWaalsContact O-N 3.08Å; E206-G208 PolarHBondContact O-N 2.92Å; G208-P211 VanDerWaalsContact O-CD 3.28Å; G208-P211 WeakPolarHBondContact O-CD 3.45Å; G208-C229 VanDerWaalsContact CA-SG 3.52Å
209	A	94.8	Very high	97.1	Very high	13 Å²	13	36.2 Å²	36.2	11%	0.107	19%	0.194	C	C	.	.			trans	-60.2	136.1	178.6	0	0	0	0	0	112.1	G205 E206 L231	G205-A209 PolarHBondContact O-N 3.09Å; E206-A209 WeakPolarHBondContact O-CB 3.28Å; E206-A209 PolarHBondContact O-N 2.83Å; A209-L231 HydrophobicContact CB-CB 4.13Å; A209-L231 HydrophobicContact CB-CD2 4.14Å; A209-L231 PolarHBondContact O-N 3.02Å
210	I	96.4	Very high	97	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	18%	0.177	C	C	.	.	S	Bend	trans	57.6	63.7	-175.5	-50	179.8	0	0	0	110.8	W164 Y184 G185 L212 C229 A230 L231	W164-I210 VanDerWaalsContact CD1-CG2 3.42Å; W164-I210 HydrophobicContact CG-CG2 4.24Å; Y184-I210 HydrophobicContact CD1-CD1 3.37Å; Y184-I210 HydrophobicContact CD1-CG1 3.73Å; Y184-I210 HydrophobicContact CE1-CD1 3.78Å; Y184-I210 HydrophobicContact CG-CD1 4.06Å; Y184-I210 HydrophobicContact CG-CG1 4.24Å; G185-I210 PolarHBondContact O-N 3.28Å; I210-L212 HydrophobicContact CG2-CD1 4.39Å; I210-L212 HydrophobicContact CG2-CD2 3.42Å; I210-L212 VanDerWaalsContact CG2-CD2 3.42Å; I210-L212 HydrophobicContact CG2-CG 3.83Å; I210-L212 PolarHBondContact O-N 3.06Å; I210-C229 WeakPolarHBondContact O-CA 3.43Å; I210-A230 HydrophobicContact CB-CB 4.17Å; I210-A230 HydrophobicContact CG2-CB 3.93Å; I210-A230 PolarHBondContact O-N 3.01Å; I210-L231 HydrophobicContact CD1-CB 4.04Å; I210-L231 HydrophobicContact CD1-CD2 4.38Å; I210-L231 HydrophobicContact CG1-CB 4.28Å
211	P	98.1	Very high	96.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	112.7	169.5	27.7	-30.5	0	0	0	109	T162 E163 A187 L188 L204 G208 V227	T162-P211 WeakPolarHBondContact CB-O 3.3Å; T162-P211 PolarHBondContact OG1-O 3.16Å; E163-P211 CarbonylContact C-O 3.54Å; E163-P211 HydrophobicContact CB-CG 4.19Å; E163-P211 PolarHBondContact N-O 2.96Å; E163-P211 WeakPolarHBondContact O-CD 3.31Å; A187-P211 WeakPolarHBondContact O-CG 3.49Å; L188-P211 HydrophobicContact CD2-CB 4.05Å; L204-P211 HydrophobicContact CD1-CB 4.15Å; G208-P211 VanDerWaalsContact O-CD 3.28Å; G208-P211 WeakPolarHBondContact O-CD 3.45Å; P211-V227 HydrophobicContact CB-CG2 3.73Å
212	L	98.1	Very high	96.9	Very high	6 Å²	6	32.3 Å²	32.3	3%	0.031	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-107.9	-178	-64	-175	0	0	0	110	Y148 T162 W164 I210 V214 G228 A230	Y148-L212 HydrophobicContact CD1-CB 3.94Å; Y148-L212 HydrophobicContact CD1-CD2 3.96Å; Y148-L212 VanDerWaalsContact CD1-O 3.3Å; Y148-L212 WeakPolarHBondContact CD1-O 3.39Å; Y148-L212 HydrophobicContact CD2-CD2 3.96Å; Y148-L212 HydrophobicContact CE1-CB 3.4Å; Y148-L212 HydrophobicContact CE1-CD2 3.81Å; Y148-L212 HydrophobicContact CE1-CG 4.12Å; Y148-L212 HydrophobicContact CE2-CD2 3.75Å; Y148-L212 HydrophobicContact CG-CD2 4.03Å; T162-L212 VanDerWaalsContact CB-O 3.31Å; T162-L212 WeakPolarHBondContact CB-O 3.33Å; T162-L212 VanDerWaalsContact CG2-O 3.28Å; T162-L212 WeakPolarHBondContact CG2-O 3.22Å; T162-L212 PolarHBondContact OG1-O 2.89Å; W164-L212 HydrophobicContact CB-CD2 3.9Å; W164-L212 HydrophobicContact CD2-CD2 4.26Å; W164-L212 HydrophobicContact CG-CD2 3.83Å; I210-L212 HydrophobicContact CG2-CD1 4.39Å; I210-L212 HydrophobicContact CG2-CD2 3.42Å; I210-L212 VanDerWaalsContact CG2-CD2 3.42Å; I210-L212 HydrophobicContact CG2-CG 3.83Å; I210-L212 PolarHBondContact O-N 3.06Å; L212-V214 PolarHBondContact O-N 3.26Å; L212-G228 PolarHBondContact N-O 3.28Å; L212-A230 HydrophobicContact CD1-CB 3.71Å; L212-A230 HydrophobicContact CG-CB 4.12Å
213	E	98.3	Very high	96.8	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.009	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	128.8	-172.9	-63.5	-64.6	161.4	0	0	112.1	H34 Y148 D149 R215 V227 G228 D274 I275	H34-E213 IonicContact CE1-OE1 3.06Å; H34-E213 PolarHBondContact CE1-OE1 3.46Å; H34-E213 IonicContact NE2-OE1 2.73Å; H34-E213 PolarHBondContact NE2-OE1 3.3Å; Y148-E213 HydrophobicContact CE1-CG 4.34Å; Y148-E213 PolarHBondContact OH-OE1 3.26Å; D149-E213 VanDerWaalsContact OD2-OE2 3.06Å; E213-R215 IonicContact OE2-CZ 2.68Å; E213-R215 IonicContact OE2-NH1 2.77Å; E213-R215 PolarHBondContact OE2-NH1 2.81Å; E213-R215 IonicContact OE2-NH2 3.62Å; E213-R215 PolarHBondContact OE2-NH2 3.38Å; E213-V227 WeakPolarHBondContact O-CA 3.39Å; E213-G228 PolarHBondContact O-N 3.03Å; E213-G228 VanDerWaalsContact O-N 3.1Å; E213-D274 HydrophobicContact CG-CB 4.33Å; E213-D274 WeakPolarHBondContact CG-OD1 3.23Å; E213-I275 HydrophobicContact CB-CG1 3.99Å; E213-I275 WeakPolarHBondContact O-CD1 3.32Å
214	V	98.6	Very high	96.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	134.6	177.2	60.8	0	0	0	0	110.2	D149 W151 I160 T162 L212 F238	D149-V214 HydrophobicContact CB-CG1 4.25Å; D149-V214 WeakPolarHBondContact OD2-CG1 3.4Å; D149-V214 PolarHBondContact OD2-N 2.97Å; W151-V214 HydrophobicContact CB-CG1 4.05Å; I160-V214 HydrophobicContact CG2-CG2 4.13Å; T162-V214 HydrophobicContact CG2-CB 3.6Å; T162-V214 HydrophobicContact CG2-CG1 3.8Å; T162-V214 HydrophobicContact CG2-CG2 4.38Å; L212-V214 PolarHBondContact O-N 3.26Å; V214-F238 HydrophobicContact CG2-CD1 4.34Å; V214-F238 HydrophobicContact CG2-CE1 3.46Å; V214-F238 VanDerWaalsContact CG2-CE1 3.46Å; V214-F238 HydrophobicContact CG2-CZ 3.93Å
215	R	98.5	Very high	96.9	Very high	8 Å²	8	27.7 Å²	27.7	3%	0.03	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	118.1	179.9	-57.4	-66.4	177.2	-103.3	0.2	109.7	D149 W151 E213 G225 Y226 D274 I275 I277	D149-R215 IonicContact OD2-NH1 3.88Å; D149-R215 PolarHBondContact OD2-NH1 2.97Å; W151-R215 VanDerWaalsContact CZ3-CD 3.45Å; E213-R215 IonicContact OE2-CZ 2.68Å; E213-R215 IonicContact OE2-NH1 2.77Å; E213-R215 PolarHBondContact OE2-NH1 2.81Å; E213-R215 IonicContact OE2-NH2 3.62Å; E213-R215 PolarHBondContact OE2-NH2 3.38Å; R215-G225 CarbonylContact O-C 3.6Å; R215-G225 WeakPolarHBondContact O-CA 3.47Å; R215-Y226 PolarHBondContact N-O 3.12Å; R215-Y226 PolarHBondContact O-N 3.23Å; R215-D274 IonicContact NH2-OD1 2.71Å; R215-D274 PolarHBondContact NH2-OD1 2.99Å; R215-I275 HydrophobicContact CB-CD1 4.42Å; R215-I275 HydrophobicContact CG-CD1 4.09Å; R215-I275 HydrophobicContact CG-CG1 3.8Å; R215-I275 PolarHBondContact NE-O 2.85Å; R215-I275 PolarHBondContact NH2-O 2.62Å; R215-I277 HydrophobicContact CB-CD1 3.81Å; R215-I277 HydrophobicContact CB-CG1 4.08Å
216	F	98.4	Very high	97.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	158.4	159.5	-86.3	-94.4	0	0	0	109.9	W151 Q153 V158 I160 F238 W246	W151-F216 HydrophobicContact CB-CD2 3.95Å; W151-F216 AromaticContact CD1-CD2 3.56Å; W151-F216 HydrophobicContact CG-CB 4.43Å; W151-F216 AromaticContact CG-CD2 3.99Å; W151-F216 HydrophobicContact CG-CD2 3.99Å; Q153-F216 HydrophobicContact CB-CD1 4.03Å; Q153-F216 HydrophobicContact CB-CE1 3.98Å; Q153-F216 HydrophobicContact CB-CG 4.33Å; Q153-F216 HydrophobicContact CB-CZ 4.25Å; Q153-F216 HydrophobicContact CG-CD1 4.3Å; Q153-F216 HydrophobicContact CG-CE1 4.44Å; V158-F216 HydrophobicContact CG1-CE1 4.24Å; V158-F216 HydrophobicContact CG1-CZ 3.86Å; I160-F216 HydrophobicContact CB-CE2 4.09Å; I160-F216 HydrophobicContact CD1-CE2 3.99Å; I160-F216 HydrophobicContact CD1-CZ 3.67Å; I160-F216 HydrophobicContact CG1-CE2 3.93Å; I160-F216 HydrophobicContact CG1-CZ 3.87Å; F216-F238 AromaticContact CD1-CE2 3.87Å; F216-F238 HydrophobicContact CD1-CE2 3.87Å; F216-F238 HydrophobicContact CD1-CZ 4.26Å; F216-F238 HydrophobicContact CD2-CE2 4.09Å; F216-F238 AromaticContact CD2-CZ 3.87Å; F216-F238 HydrophobicContact CD2-CZ 3.87Å; F216-F238 AromaticContact CE1-CE2 3.57Å; F216-F238 HydrophobicContact CE1-CE2 3.57Å; F216-F238 HydrophobicContact CE1-CZ 4.3Å; F216-F238 AromaticContact CE2-CE2 3.81Å; F216-F238 HydrophobicContact CE2-CE2 3.81Å; F216-F238 AromaticContact CE2-CZ 3.91Å; F216-F238 HydrophobicContact CE2-CZ 3.91Å; F216-F238 HydrophobicContact CG-CE2 4.13Å; F216-F238 HydrophobicContact CG-CZ 4.06Å; F216-F238 HydrophobicContact CZ-CD2 4.47Å; F216-F238 AromaticContact CZ-CE2 3.55Å; F216-F238 HydrophobicContact CZ-CE2 3.55Å; F216-F238 HydrophobicContact CZ-CZ 4.13Å; F216-W246 AromaticContact CE1-CH2 3.72Å; F216-W246 HydrophobicContact CE1-CH2 3.72Å; F216-W246 HydrophobicContact CE1-CZ3 4.04Å; F216-W246 HydrophobicContact CZ-CH2 4.03Å; F216-W246 HydrophobicContact CZ-CZ3 4.26Å
217	L	98.4	Very high	97.4	Very high	11 Å²	11	18.9 Å²	18.9	6%	0.058	11%	0.105	C	C	.	.			trans	-59.7	146.6	160.6	-63.2	-173.6	0	0	0	109.8	D219 A222 E224 Y226 I277 D281 I299	L217-D219 VanDerWaalsContact C-N 3.32Å; L217-A222 HydrophobicContact CB-CB 3.71Å; L217-A222 HydrophobicContact CD1-CB 3.88Å; L217-A222 HydrophobicContact CG-CB 4.27Å; L217-E224 HydrophobicContact CD1-CG 3.8Å; L217-E224 HydrophobicContact CG-CG 4.32Å; L217-E224 PolarHBondContact N-O 2.62Å; L217-Y226 HydrophobicContact CD2-CE2 4.08Å; L217-I277 HydrophobicContact CD2-CD1 3.96Å; L217-I277 HydrophobicContact CD2-CG2 4.45Å; L217-D281 WeakPolarHBondContact CA-OD1 3.06Å; L217-D281 HydrophobicContact CD2-CB 4.16Å; L217-I299 HydrophobicContact CD2-CD1 4.16Å
218	H	97.5	Very high	97.7	Very high	14 Å²	14	15.6 Å²	15.6	7%	0.065	9%	0.087	C	C	.	.	S	Bend	trans	-69.6	-28.6	-179.7	-62.2	-58.9	0	0	0	112.5	P220 I277 S278 L279 D281 C428 W433	H218-P220 WeakPolarHBondContact O-CD 3.35Å; H218-P220 VanDerWaalsContact O-N 3.12Å; H218-I277 PolarHBondContact NE2-O 3.23Å; H218-S278 PolarHBondContact CD2-O 3.32Å; H218-L279 VanDerWaalsContact CD2-CA 3.49Å; H218-L279 WeakPolarHBondContact CD2-CA 3.34Å; H218-D281 IonicContact CD2-OD1 2.9Å; H218-D281 PolarHBondContact CD2-OD1 3.1Å; H218-D281 VanDerWaalsContact CD2-OD1 3.23Å; H218-D281 IonicContact CG-OD1 2.68Å; H218-D281 VanDerWaalsContact N-CG 3.29Å; H218-D281 PolarHBondContact N-OD1 2.92Å; H218-D281 PolarHBondContact N-OD2 3.02Å; H218-D281 VanDerWaalsContact N-OD2 3.08Å; H218-C428 PolarHBondContact CE1-O 3.3Å; H218-W433 HydrophobicContact CB-CE3 4.12Å; H218-W433 HydrophobicContact CB-CZ3 4.05Å; H218-W433 AromaticContact CG-CZ3 3.86Å; H218-W433 AromaticContact ND1-CE3 3.94Å; H218-W433 AromaticContact ND1-CH2 3.83Å; H218-W433 AromaticContact ND1-CZ3 3.13Å; H218-W433 WeakPolarHBondContact ND1-CZ3 3.38Å
219	D	97.4	Very high	97.8	Very high	72 Å²	72	15.6 Å²	15.6	39%	0.385	9%	0.087	S	C	.	.	S	Bend	trans	-57.6	113.9	171.1	-178.9	-2	0	0	0	109.8	Q153 L217 N221 A222 D281	Q153-D219 PolarHBondContact NE2-O 2.82Å; Q153-D219 VanDerWaalsContact NE2-O 3.09Å; L217-D219 VanDerWaalsContact C-N 3.32Å; D219-N221 PolarHBondContact O-N 3.47Å; D219-N221 WeakPolarHBondContact OD1-CB 3.5Å; D219-N221 PolarHBondContact OD1-N 2.66Å; D219-N221 PolarHBondContact OD1-ND2 2.71Å; D219-A222 HydrophobicContact CB-CB 4.25Å; D219-A222 WeakPolarHBondContact O-CB 3.27Å; D219-A222 PolarHBondContact O-N 2.52Å; D219-D281 PolarHBondContact N-OD2 2.87Å
220	P	96.1	Very high	97.7	Very high	20 Å²	20	15 Å²	15	13%	0.13	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-11.6	-178.1	27.9	-37.1	0	0	0	113.6	Q153 R155 H156 H218	Q153-P220 VanDerWaalsContact NE2-C 3.3Å; Q153-P220 PolarHBondContact NE2-O 2.7Å; R155-P220 WeakPolarHBondContact CB-O 3.23Å; R155-P220 WeakPolarHBondContact CD-O 3.49Å; R155-P220 HydrophobicContact CG-CB 4.36Å; R155-P220 VanDerWaalsContact CZ-CG 3.47Å; H156-P220 PolarHBondContact NE2-O 2.91Å; H218-P220 WeakPolarHBondContact O-CD 3.35Å; H218-P220 VanDerWaalsContact O-N 3.12Å
221	N	96.9	Very high	97.3	Very high	96 Å²	96	16.1 Å²	16.1	51%	0.513	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-5.3	175.3	-51.2	-64.4	0	0	0	113.8	R155 H156 D219	R155-N221 PolarHBondContact NH1-ND2 3.11Å; R155-N221 PolarHBondContact NH1-OD1 3.28Å; H156-N221 WeakPolarHBondContact NE2-CA 3.46Å; H156-N221 PolarHBondContact NE2-O 2.89Å; D219-N221 PolarHBondContact O-N 3.47Å; D219-N221 WeakPolarHBondContact OD1-CB 3.5Å; D219-N221 PolarHBondContact OD1-N 2.66Å; D219-N221 PolarHBondContact OD1-ND2 2.71Å
222	A	97.6	Very high	96.9	Very high	12 Å²	12	21 Å²	21	10%	0.099	11%	0.107	C	C	.	.			trans	-78.5	136.9	177.2	0	0	0	0	0	111.2	Q153 H156 L217 D219	Q153-A222 PolarHBondContact NE2-O 3.21Å; H156-A222 PolarHBondContact CD2-O 2.86Å; H156-A222 PolarHBondContact NE2-O 2.86Å; L217-A222 HydrophobicContact CB-CB 3.71Å; L217-A222 HydrophobicContact CD1-CB 3.88Å; L217-A222 HydrophobicContact CG-CB 4.27Å; D219-A222 HydrophobicContact CB-CB 4.25Å; D219-A222 WeakPolarHBondContact O-CB 3.27Å; D219-A222 PolarHBondContact O-N 2.52Å
223	T	97.7	Very high	96.7	Very high	39 Å²	39	20.8 Å²	20.8	24%	0.239	11%	0.105	C	C	.	.			trans	-109.6	39.2	177.4	58.7	0	0	0	0	111.6	H156 Y239 R240 W246	H156-T223 HydrophobicContact CB-CG2 4.43Å; H156-T223 VanDerWaalsContact CD2-CG2 3.49Å; H156-T223 WeakPolarHBondContact CD2-CG2 3.5Å; H156-T223 WeakPolarHBondContact NE2-CG2 3.27Å; T223-Y239 WeakPolarHBondContact O-CA 3.45Å; T223-R240 HydrophobicContact CG2-CB 4.44Å; T223-R240 PolarHBondContact O-N 3.46Å; T223-W246 WeakPolarHBondContact O-CH2 3.32Å; T223-W246 WeakPolarHBondContact O-CZ3 3.13Å
224	E	98.6	Very high	96.6	Very high	33 Å²	33	20.7 Å²	20.7	15%	0.154	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	165.8	-176.8	62	179.5	90.7	0	0	111.7	L217 R237 F238 R302	L217-E224 HydrophobicContact CD1-CG 3.8Å; L217-E224 HydrophobicContact CG-CG 4.32Å; L217-E224 PolarHBondContact N-O 2.62Å; E224-R237 IonicContact OE1-CZ 2.83Å; E224-R237 IonicContact OE1-NH2 3.99Å; E224-R237 PolarHBondContact OE1-NH2 3.2Å; E224-R237 IonicContact OE2-CZ 2.83Å; E224-R237 VanDerWaalsContact OE2-CZ 3.29Å; E224-R237 IonicContact OE2-NE 2.68Å; E224-R237 PolarHBondContact OE2-NE 3.11Å; E224-R237 IonicContact OE2-NH2 3.32Å; E224-R237 PolarHBondContact OE2-NH2 2.9Å; E224-F238 CarbonylContact C-O 3.38Å; E224-F238 WeakPolarHBondContact CA-O 3.36Å; E224-F238 VanDerWaalsContact CB-O 3.29Å; E224-F238 WeakPolarHBondContact CB-O 3.33Å; E224-R302 WeakPolarHBondContact OE2-CB 3.3Å; E224-R302 VanDerWaalsContact OE2-CG 3.24Å; E224-R302 WeakPolarHBondContact OE2-CG 2.94Å
225	G	98.6	Very high	96.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.2	-165.5	178.5	0	0	0	0	0	111	R215 R237 F238	R215-G225 CarbonylContact O-C 3.6Å; R215-G225 WeakPolarHBondContact O-CA 3.47Å; G225-R237 CarbonylContact O-C 3.21Å; G225-R237 VanDerWaalsContact O-CA 3.27Å; G225-R237 WeakPolarHBondContact O-CA 3.13Å; G225-F238 VanDerWaalsContact N-CE2 3.31Å; G225-F238 PolarHBondContact N-O 2.86Å; G225-F238 PolarHBondContact O-N 2.93Å
226	Y	98.9	Very high	96.7	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	154.5	-173.4	-57.6	-88.5	0	0	0	112.4	R215 L217 V235 F236 R237 F238 V251 I275 I277 L284 I299 R302 P305	R215-Y226 PolarHBondContact N-O 3.12Å; R215-Y226 PolarHBondContact O-N 3.23Å; L217-Y226 HydrophobicContact CD2-CE2 4.08Å; Y226-V235 HydrophobicContact CD1-CG1 4.03Å; Y226-V235 HydrophobicContact CG-CG1 4.38Å; Y226-F236 CarbonylContact C-O 3.54Å; Y226-F236 WeakPolarHBondContact CA-O 3.48Å; Y226-R237 HydrophobicContact CD1-CB 3.94Å; Y226-R237 HydrophobicContact CD1-CG 4.49Å; Y226-R237 HydrophobicContact CE1-CB 3.77Å; Y226-R237 HydrophobicContact CE1-CG 4.07Å; Y226-F238 WeakPolarHBondContact O-CE1 3.46Å; Y226-V251 HydrophobicContact CD1-CG2 3.99Å; Y226-V251 HydrophobicContact CE1-CG2 3.96Å; Y226-I275 WeakPolarHBondContact O-CD1 3.17Å; Y226-I277 HydrophobicContact CD2-CD1 3.77Å; Y226-I277 HydrophobicContact CE2-CD1 4.36Å; Y226-L284 HydrophobicContact CD1-CD1 4.42Å; Y226-L284 HydrophobicContact CD2-CD1 3.86Å; Y226-L284 HydrophobicContact CG-CD1 3.73Å; Y226-I299 HydrophobicContact CE2-CD1 3.9Å; Y226-R302 WeakPolarHBondContact OH-CA 3.4Å; Y226-R302 WeakPolarHBondContact OH-CB 3.46Å; Y226-R302 PolarHBondContact OH-O 2.63Å; Y226-P305 HydrophobicContact CE1-CG 4.49Å
227	V	98.8	Very high	96.7	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	136.6	170.9	61.8	0	0	0	0	110.2	T162 L188 L204 P211 E213 V235 F236	T162-V227 HydrophobicContact CG2-CG2 3.89Å; L188-V227 HydrophobicContact CD1-CG1 4.04Å; L188-V227 HydrophobicContact CD2-CB 4.26Å; L188-V227 HydrophobicContact CD2-CG1 4.08Å; L188-V227 HydrophobicContact CD2-CG2 4.02Å; L204-V227 HydrophobicContact CD1-CG1 4.27Å; P211-V227 HydrophobicContact CB-CG2 3.73Å; E213-V227 WeakPolarHBondContact O-CA 3.39Å; V227-V235 WeakPolarHBondContact O-CA 3.28Å; V227-V235 WeakPolarHBondContact O-CG1 3.33Å; V227-F236 HydrophobicContact CG1-CB 3.78Å; V227-F236 PolarHBondContact N-O 3.2Å; V227-F236 PolarHBondContact O-N 3.09Å
228	G	98.3	Very high	96.7	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.01	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	125.7	172.2	0	0	0	0	0	111.1	L212 E213	L212-G228 PolarHBondContact N-O 3.28Å; E213-G228 PolarHBondContact O-N 3.03Å; E213-G228 VanDerWaalsContact O-N 3.1Å
229	C	97.1	Very high	96.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	110.6	178.1	-60.7	0	0	0	0	109.6	G208 I210 G233 C234	G208-C229 VanDerWaalsContact CA-SG 3.52Å; I210-C229 WeakPolarHBondContact O-CA 3.43Å; C229-G233 PolarHBondContact O-N 3.24Å; C229-C234 HydrophobicContact CB-CB 4.49Å; C229-C234 WeakPolarHBondContact CB-O 3.48Å; C229-C234 PolarHBondContact N-O 3.12Å; C229-C234 PolarHBondContact O-N 2.98Å
230	A	93.8	Very high	96.8	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.008	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-55.2	-165.6	0	0	0	0	0	112.3	I210 L212 R232 G233 L271 I272	I210-A230 HydrophobicContact CB-CB 4.17Å; I210-A230 HydrophobicContact CG2-CB 3.93Å; I210-A230 PolarHBondContact O-N 3.01Å; L212-A230 HydrophobicContact CD1-CB 3.71Å; L212-A230 HydrophobicContact CG-CB 4.12Å; A230-R232 VanDerWaalsContact C-N 3.27Å; A230-R232 PolarHBondContact O-N 3Å; A230-R232 VanDerWaalsContact O-N 3.14Å; A230-G233 PolarHBondContact O-N 2.83Å; A230-G233 VanDerWaalsContact O-N 3.11Å; A230-L271 HydrophobicContact CB-CD1 3.87Å; A230-L271 HydrophobicContact CB-CG 4.18Å; A230-L271 VanDerWaalsContact O-CA 3.28Å; A230-L271 WeakPolarHBondContact O-CA 3.45Å; A230-I272 VanDerWaalsContact CA-O 3.26Å; A230-I272 WeakPolarHBondContact CA-O 3.37Å; A230-I272 WeakPolarHBondContact CB-O 3.32Å
231	L	88.3	Confident	96.9	Very high	23 Å²	23	26 Å²	26	12%	0.12	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-29.1	-162.8	-170.6	59.9	0	0	0	114	F174 V179 A209 I210	F174-L231 HydrophobicContact CE1-CD1 4.48Å; F174-L231 HydrophobicContact CE2-CD1 4.19Å; F174-L231 HydrophobicContact CZ-CD1 3.68Å; V179-L231 HydrophobicContact CG1-CD2 3.99Å; V179-L231 HydrophobicContact CG2-CD2 4.08Å; A209-L231 HydrophobicContact CB-CB 4.13Å; A209-L231 HydrophobicContact CB-CD2 4.14Å; A209-L231 PolarHBondContact O-N 3.02Å; I210-L231 HydrophobicContact CD1-CB 4.04Å; I210-L231 HydrophobicContact CD1-CD2 4.38Å; I210-L231 HydrophobicContact CG1-CB 4.28Å
232	R	88.8	Confident	96.9	Very high	104 Å²	104	28.3 Å²	28.3	39%	0.392	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	8.2	178.6	-61.3	-55.5	-166.4	171.9	6.4	113.7	E206 A230 C234 A269	E206-R232 WeakPolarHBondContact O-CG 3.14Å; E206-R232 IonicContact OE2-NH2 3.16Å; A230-R232 VanDerWaalsContact C-N 3.27Å; A230-R232 PolarHBondContact O-N 3Å; A230-R232 VanDerWaalsContact O-N 3.14Å; R232-C234 VanDerWaalsContact C-N 3.29Å; R232-C234 PolarHBondContact O-N 2.87Å; R232-C234 PolarHBondContact O-SG 3.24Å; R232-A269 WeakPolarHBondContact O-CB 3.35Å
233	G	93.9	Very high	96.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	45.9	177.9	0	0	0	0	0	112.9	C229 A230 V254 A269 I272	C229-G233 PolarHBondContact O-N 3.24Å; A230-G233 PolarHBondContact O-N 2.83Å; A230-G233 VanDerWaalsContact O-N 3.11Å; G233-V254 WeakPolarHBondContact O-CB 3.45Å; G233-V254 PolarHBondContact O-N 3.29Å; G233-A269 WeakPolarHBondContact CA-O 3.41Å; G233-A269 PolarHBondContact N-O 2.92Å; G233-I272 VanDerWaalsContact C-CD1 3.4Å
234	C	97.3	Very high	96.8	Very high	1 Å²	1	36 Å²	36	1%	0.007	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	151.6	-177.4	-69.7	0	0	0	0	110.8	D207 C229 R232 F236 K250 I252	D207-C234 WeakPolarHBondContact O-CB 3.29Å; C229-C234 HydrophobicContact CB-CB 4.49Å; C229-C234 WeakPolarHBondContact CB-O 3.48Å; C229-C234 PolarHBondContact N-O 3.12Å; C229-C234 PolarHBondContact O-N 2.98Å; R232-C234 VanDerWaalsContact C-N 3.29Å; R232-C234 PolarHBondContact O-N 2.87Å; R232-C234 PolarHBondContact O-SG 3.24Å; C234-F236 HydrophobicContact CB-CD2 4.45Å; C234-F236 HydrophobicContact CB-CE2 4.06Å; C234-K250 HydrophobicContact CB-CD 4.14Å; C234-K250 HydrophobicContact CB-CG 4.42Å; C234-I252 CarbonylContact C-O 3.51Å; C234-I252 VanDerWaalsContact CA-O 3.3Å; C234-I252 WeakPolarHBondContact CA-O 3.34Å
235	V	98.6	Very high	96.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.3	167.9	-176.5	0	0	0	0	108.3	Y226 V227 V251 I252 I272 L284 F286	Y226-V235 HydrophobicContact CD1-CG1 4.03Å; Y226-V235 HydrophobicContact CG-CG1 4.38Å; V227-V235 WeakPolarHBondContact O-CA 3.28Å; V227-V235 WeakPolarHBondContact O-CG1 3.33Å; V235-V251 HydrophobicContact CB-CG2 4.47Å; V235-V251 HydrophobicContact CG1-CG2 4.33Å; V235-V251 VanDerWaalsContact O-CG2 3.29Å; V235-V251 WeakPolarHBondContact O-CG2 3.45Å; V235-V251 PolarHBondContact O-N 3Å; V235-I252 HydrophobicContact CB-CB 3.88Å; V235-I252 HydrophobicContact CB-CD1 4.11Å; V235-I252 HydrophobicContact CB-CG1 4.25Å; V235-I252 HydrophobicContact CG2-CB 4.05Å; V235-I252 HydrophobicContact CG2-CD1 4.09Å; V235-I252 PolarHBondContact N-O 3.17Å; V235-I252 PolarHBondContact O-N 2.68Å; V235-I272 HydrophobicContact CG2-CD1 3.98Å; V235-L284 HydrophobicContact CG1-CD2 4.45Å; V235-F286 HydrophobicContact CG2-CD1 4.21Å; V235-F286 HydrophobicContact CG2-CE1 4.22Å
236	F	98.8	Very high	96.7	Very high	15 Å²	15	38 Å²	38	7%	0.066	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	138.8	173.4	-77.3	-110.5	0	0	0	109.8	L204 D207 Y226 V227 C234 A248 E249 K250	L204-F236 HydrophobicContact CB-CE1 4.21Å; L204-F236 HydrophobicContact CB-CZ 4.24Å; L204-F236 HydrophobicContact CD1-CG 4.43Å; L204-F236 HydrophobicContact CD2-CD1 3.94Å; L204-F236 HydrophobicContact CD2-CE1 4.33Å; L204-F236 HydrophobicContact CD2-CG 4.34Å; D207-F236 HydrophobicContact CB-CE2 4.23Å; D207-F236 HydrophobicContact CB-CZ 3.92Å; Y226-F236 CarbonylContact C-O 3.54Å; Y226-F236 WeakPolarHBondContact CA-O 3.48Å; V227-F236 HydrophobicContact CG1-CB 3.78Å; V227-F236 PolarHBondContact N-O 3.2Å; V227-F236 PolarHBondContact O-N 3.09Å; C234-F236 HydrophobicContact CB-CD2 4.45Å; C234-F236 HydrophobicContact CB-CE2 4.06Å; F236-A248 HydrophobicContact CD1-CB 4.34Å; F236-E249 CarbonylContact C-O 3.4Å; F236-E249 VanDerWaalsContact CA-O 3.3Å; F236-E249 WeakPolarHBondContact CA-O 3.46Å; F236-K250 HydrophobicContact CD1-CB 4.19Å; F236-K250 HydrophobicContact CE1-CB 3.86Å; F236-K250 HydrophobicContact CE2-CB 4.19Å; F236-K250 HydrophobicContact CE2-CG 4.3Å; F236-K250 HydrophobicContact CZ-CB 3.86Å; F236-K250 HydrophobicContact CZ-CD 4.49Å; F236-K250 HydrophobicContact CZ-CG 4.38Å
237	R	98.8	Very high	96.7	Very high	20 Å²	20	39.2 Å²	39.2	8%	0.075	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	122	165.3	175.5	-176.6	172.3	-101.4	-5.7	108	E224 G225 Y226 Y239 A248 E249 V251 R302	E224-R237 IonicContact OE1-CZ 2.83Å; E224-R237 IonicContact OE1-NH2 3.99Å; E224-R237 PolarHBondContact OE1-NH2 3.2Å; E224-R237 IonicContact OE2-CZ 2.83Å; E224-R237 VanDerWaalsContact OE2-CZ 3.29Å; E224-R237 IonicContact OE2-NE 2.68Å; E224-R237 PolarHBondContact OE2-NE 3.11Å; E224-R237 IonicContact OE2-NH2 3.32Å; E224-R237 PolarHBondContact OE2-NH2 2.9Å; G225-R237 CarbonylContact O-C 3.21Å; G225-R237 VanDerWaalsContact O-CA 3.27Å; G225-R237 WeakPolarHBondContact O-CA 3.13Å; Y226-R237 HydrophobicContact CD1-CB 3.94Å; Y226-R237 HydrophobicContact CD1-CG 4.49Å; Y226-R237 HydrophobicContact CE1-CB 3.77Å; Y226-R237 HydrophobicContact CE1-CG 4.07Å; R237-Y239 VanDerWaalsContact NH1-CD1 3.31Å; R237-A248 CarbonylContact O-C 3.54Å; R237-A248 VanDerWaalsContact O-CA 3.25Å; R237-A248 WeakPolarHBondContact O-CA 3.09Å; R237-E249 HydrophobicContact CB-CG 4.29Å; R237-E249 IonicContact CZ-OE1 3.01Å; R237-E249 PolarHBondContact N-O 2.96Å; R237-E249 IonicContact NH1-OE1 3.11Å; R237-E249 PolarHBondContact NH1-OE1 3.35Å; R237-E249 PolarHBondContact O-N 2.82Å; R237-V251 HydrophobicContact CB-CG1 3.66Å; R237-V251 HydrophobicContact CB-CG2 4.09Å; R237-R302 WeakPolarHBondContact CD-O 3.28Å
238	F	98.8	Very high	96.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	145.6	166.6	62.7	-98	0	0	0	109.5	I160 L188 V214 F216 E224 G225 Y226 W246 A247 A248	I160-F238 HydrophobicContact CD1-CB 4.42Å; I160-F238 HydrophobicContact CD1-CD1 4.35Å; I160-F238 HydrophobicContact CD1-CD2 3.19Å; I160-F238 HydrophobicContact CD1-CE1 4.46Å; I160-F238 HydrophobicContact CD1-CE2 3.37Å; I160-F238 HydrophobicContact CD1-CG 3.73Å; I160-F238 HydrophobicContact CD1-CZ 4Å; L188-F238 HydrophobicContact CD1-CB 4.11Å; L188-F238 HydrophobicContact CD1-CD1 4.26Å; L188-F238 HydrophobicContact CD1-CG 4.49Å; V214-F238 HydrophobicContact CG2-CD1 4.34Å; V214-F238 HydrophobicContact CG2-CE1 3.46Å; V214-F238 VanDerWaalsContact CG2-CE1 3.46Å; V214-F238 HydrophobicContact CG2-CZ 3.93Å; F216-F238 AromaticContact CD1-CE2 3.87Å; F216-F238 HydrophobicContact CD1-CE2 3.87Å; F216-F238 HydrophobicContact CD1-CZ 4.26Å; F216-F238 HydrophobicContact CD2-CE2 4.09Å; F216-F238 AromaticContact CD2-CZ 3.87Å; F216-F238 HydrophobicContact CD2-CZ 3.87Å; F216-F238 AromaticContact CE1-CE2 3.57Å; F216-F238 HydrophobicContact CE1-CE2 3.57Å; F216-F238 HydrophobicContact CE1-CZ 4.3Å; F216-F238 AromaticContact CE2-CE2 3.81Å; F216-F238 HydrophobicContact CE2-CE2 3.81Å; F216-F238 AromaticContact CE2-CZ 3.91Å; F216-F238 HydrophobicContact CE2-CZ 3.91Å; F216-F238 HydrophobicContact CG-CE2 4.13Å; F216-F238 HydrophobicContact CG-CZ 4.06Å; F216-F238 HydrophobicContact CZ-CD2 4.47Å; F216-F238 AromaticContact CZ-CE2 3.55Å; F216-F238 HydrophobicContact CZ-CE2 3.55Å; F216-F238 HydrophobicContact CZ-CZ 4.13Å; E224-F238 CarbonylContact C-O 3.38Å; E224-F238 WeakPolarHBondContact CA-O 3.36Å; E224-F238 VanDerWaalsContact CB-O 3.29Å; E224-F238 WeakPolarHBondContact CB-O 3.33Å; G225-F238 VanDerWaalsContact N-CE2 3.31Å; G225-F238 PolarHBondContact N-O 2.86Å; G225-F238 PolarHBondContact O-N 2.93Å; Y226-F238 WeakPolarHBondContact O-CE1 3.46Å; F238-W246 HydrophobicContact CD2-CE3 4.01Å; F238-W246 AromaticContact CD2-CZ3 3.77Å; F238-W246 HydrophobicContact CD2-CZ3 3.77Å; F238-W246 HydrophobicContact CE2-CZ3 4.16Å; F238-A247 CarbonylContact C-O 3.59Å; F238-A247 VanDerWaalsContact CA-O 3.26Å; F238-A247 WeakPolarHBondContact CA-O 3.22Å; F238-A248 HydrophobicContact CB-CB 4.49Å
239	Y	98.8	Very high	96.7	Very high	57 Å²	57	42.7 Å²	42.7	22%	0.224	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	152.9	-177	64.1	-82.2	0	0	0	111.9	T223 R237 T241 W246 A247 E249	T223-Y239 WeakPolarHBondContact O-CA 3.45Å; R237-Y239 VanDerWaalsContact NH1-CD1 3.31Å; Y239-T241 HydrophobicContact CE2-CG2 4.25Å; Y239-W246 WeakPolarHBondContact O-CA 3.35Å; Y239-A247 HydrophobicContact CE1-CB 3.96Å; Y239-A247 HydrophobicContact CE2-CB 4.18Å; Y239-A247 PolarHBondContact N-O 2.98Å; Y239-A247 PolarHBondContact O-N 2.9Å; Y239-E249 HydrophobicContact CE1-CG 4.13Å
240	R	98.4	Very high	96.8	Very high	118 Å²	118	47.1 Å²	47.1	45%	0.445	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	127.7	171.2	-163.7	178.1	-169.7	-146.3	3.7	110.6	T223 G244 D245 W246	T223-R240 HydrophobicContact CG2-CB 4.44Å; T223-R240 PolarHBondContact O-N 3.46Å; R240-G244 PolarHBondContact NE-O 3.29Å; R240-G244 VanDerWaalsContact NE-O 3.09Å; R240-D245 CarbonylContact C-O 3.54Å; R240-D245 WeakPolarHBondContact CA-O 3.21Å; R240-W246 HydrophobicContact CB-CD2 4.27Å; R240-W246 HydrophobicContact CB-CE3 4.38Å; R240-W246 HydrophobicContact CB-CH2 4.15Å; R240-W246 HydrophobicContact CB-CZ2 4.05Å; R240-W246 HydrophobicContact CB-CZ3 4.33Å; R240-W246 HydrophobicContact CG-CZ2 4.41Å
241	T	98.3	Very high	97	Very high	27 Å²	27	48.2 Å²	48.2	17%	0.166	24%	0.243	C	C	.	.			trans	-81.2	166.7	178.5	99	0	0	0	0	111.5	Y239 K243 G244 D245 A247	Y239-T241 HydrophobicContact CE2-CG2 4.25Å; T241-K243 PolarHBondContact O-N 2.94Å; T241-K243 VanDerWaalsContact O-N 3.1Å; T241-K243 PolarHBondContact OG1-N 2.86Å; T241-G244 PolarHBondContact O-N 3.05Å; T241-D245 WeakPolarHBondContact CB-OD1 3.46Å; T241-D245 VanDerWaalsContact CG2-OD1 3.29Å; T241-D245 WeakPolarHBondContact CG2-OD1 3.47Å; T241-D245 PolarHBondContact N-O 3.03Å; T241-D245 PolarHBondContact OG1-OD1 2.84Å; T241-A247 HydrophobicContact CG2-CB 3.81Å
242	P	97.3	Very high	97.5	Very high	144 Å²	144	47.5 Å²	47.5	94%	0.935	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-20.7	173.1	-25.5	35.7	0	0	0	115	G244	P242-G244 VanDerWaalsContact C-N 3.29Å
243	K	96.9	Very high	97.9	Very high	188 Å²	188	45.8 Å²	45.8	82%	0.817	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-13	175.2	-60.8	178.7	-177.1	174.4	0	112.7	T241	T241-K243 PolarHBondContact O-N 2.94Å; T241-K243 VanDerWaalsContact O-N 3.1Å; T241-K243 PolarHBondContact OG1-N 2.86Å
244	G	95.7	Very high	98	Very high	24 Å²	24	45.9 Å²	45.9	25%	0.247	24%	0.243	C	C	.	.	S	Bend	trans	93.4	-6.7	179.7	0	0	0	0	0	115.2	R240 T241 P242	R240-G244 PolarHBondContact NE-O 3.29Å; R240-G244 VanDerWaalsContact NE-O 3.09Å; T241-G244 PolarHBondContact O-N 3.05Å; P242-G244 VanDerWaalsContact C-N 3.29Å
245	D	97.5	Very high	97.9	Very high	57 Å²	57	47.5 Å²	47.5	31%	0.305	25%	0.254	S	S	.	.			trans	-76.1	175.4	165.8	57.4	-6.7	0	0	0	111.5	R240 T241	R240-D245 CarbonylContact C-O 3.54Å; R240-D245 WeakPolarHBondContact CA-O 3.21Å; T241-D245 WeakPolarHBondContact CB-OD1 3.46Å; T241-D245 VanDerWaalsContact CG2-OD1 3.29Å; T241-D245 WeakPolarHBondContact CG2-OD1 3.47Å; T241-D245 PolarHBondContact N-O 3.03Å; T241-D245 PolarHBondContact OG1-OD1 2.84Å
246	W	98.6	Very high	97.7	Very high	19 Å²	19	48.9 Å²	48.9	7%	0.072	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	149.1	179.5	-68	76.9	0	0	0	110.9	V158 I160 V190 Q200 L202 F216 T223 F238 Y239 R240	V158-W246 HydrophobicContact CB-CZ2 3.98Å; V158-W246 HydrophobicContact CG1-CH2 4.11Å; V158-W246 HydrophobicContact CG1-CZ2 3.7Å; V158-W246 HydrophobicContact CG2-CZ2 3.76Å; I160-W246 HydrophobicContact CD1-CD2 4.49Å; I160-W246 HydrophobicContact CD1-CE3 3.96Å; I160-W246 HydrophobicContact CD1-CZ3 4.1Å; V190-W246 VanDerWaalsContact CG1-CD1 3.48Å; V190-W246 HydrophobicContact CG1-CG 4Å; V190-W246 HydrophobicContact CG2-CB 3.92Å; V190-W246 HydrophobicContact CG2-CG 4.06Å; Q200-W246 PolarHBondContact OE1-O 3.49Å; L202-W246 HydrophobicContact CD1-CB 4.06Å; L202-W246 HydrophobicContact CD2-CB 4.39Å; L202-W246 VanDerWaalsContact CD2-O 3.28Å; L202-W246 WeakPolarHBondContact CD2-O 2.84Å; F216-W246 AromaticContact CE1-CH2 3.72Å; F216-W246 HydrophobicContact CE1-CH2 3.72Å; F216-W246 HydrophobicContact CE1-CZ3 4.04Å; F216-W246 HydrophobicContact CZ-CH2 4.03Å; F216-W246 HydrophobicContact CZ-CZ3 4.26Å; T223-W246 WeakPolarHBondContact O-CH2 3.32Å; T223-W246 WeakPolarHBondContact O-CZ3 3.13Å; F238-W246 HydrophobicContact CD2-CE3 4.01Å; F238-W246 AromaticContact CD2-CZ3 3.77Å; F238-W246 HydrophobicContact CD2-CZ3 3.77Å; F238-W246 HydrophobicContact CE2-CZ3 4.16Å; Y239-W246 WeakPolarHBondContact O-CA 3.35Å; R240-W246 HydrophobicContact CB-CD2 4.27Å; R240-W246 HydrophobicContact CB-CE3 4.38Å; R240-W246 HydrophobicContact CB-CH2 4.15Å; R240-W246 HydrophobicContact CB-CZ2 4.05Å; R240-W246 HydrophobicContact CB-CZ3 4.33Å; R240-W246 HydrophobicContact CG-CZ2 4.41Å
247	A	98.7	Very high	97.6	Very high	24 Å²	24	48.2 Å²	48.2	20%	0.198	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	162.5	174.4	0	0	0	0	0	109.7	F238 Y239 T241	F238-A247 CarbonylContact C-O 3.59Å; F238-A247 VanDerWaalsContact CA-O 3.26Å; F238-A247 WeakPolarHBondContact CA-O 3.22Å; Y239-A247 HydrophobicContact CE1-CB 3.96Å; Y239-A247 HydrophobicContact CE2-CB 4.18Å; Y239-A247 PolarHBondContact N-O 2.98Å; Y239-A247 PolarHBondContact O-N 2.9Å; T241-A247 HydrophobicContact CG2-CB 3.81Å
248	A	98.7	Very high	97.5	Very high	35 Å²	35	52.2 Å²	52.2	29%	0.289	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	143.6	174.3	0	0	0	0	0	110.7	L202 L204 F236 R237 F238	L202-A248 HydrophobicContact CD1-CB 4.43Å; L204-A248 HydrophobicContact CD2-CB 3.53Å; F236-A248 HydrophobicContact CD1-CB 4.34Å; R237-A248 CarbonylContact O-C 3.54Å; R237-A248 VanDerWaalsContact O-CA 3.25Å; R237-A248 WeakPolarHBondContact O-CA 3.09Å; F238-A248 HydrophobicContact CB-CB 4.49Å
249	E	98.4	Very high	97.4	Very high	40 Å²	40	52.6 Å²	52.6	19%	0.187	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	140.3	175.2	66.3	-173.5	152.4	0	0	110.6	F236 R237 Y239 V251 R303	F236-E249 CarbonylContact C-O 3.4Å; F236-E249 VanDerWaalsContact CA-O 3.3Å; F236-E249 WeakPolarHBondContact CA-O 3.46Å; R237-E249 HydrophobicContact CB-CG 4.29Å; R237-E249 IonicContact CZ-OE1 3.01Å; R237-E249 PolarHBondContact N-O 2.96Å; R237-E249 IonicContact NH1-OE1 3.11Å; R237-E249 PolarHBondContact NH1-OE1 3.35Å; R237-E249 PolarHBondContact O-N 2.82Å; Y239-E249 HydrophobicContact CE1-CG 4.13Å; E249-V251 HydrophobicContact CG-CG1 4.05Å; E249-V251 PolarHBondContact O-N 3.4Å; E249-R303 WeakPolarHBondContact OE1-CG 3.34Å; E249-R303 IonicContact OE1-CZ 2.68Å; E249-R303 IonicContact OE1-NE 3.48Å; E249-R303 PolarHBondContact OE1-NE 2.89Å; E249-R303 IonicContact OE1-NH2 3.31Å; E249-R303 IonicContact OE2-CZ 3.77Å; E249-R303 IonicContact OE2-NE 2.88Å; E249-R303 PolarHBondContact OE2-NE 2.84Å; E249-R303 IonicContact OE2-NH2 3.78Å; E249-R303 PolarHBondContact OE2-NH2 3.45Å
250	K	98.4	Very high	97.3	Very high	92 Å²	92	55.3 Å²	55.3	40%	0.4	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	126.5	175.2	-177.5	172.7	65	-178.4	0	109.6	D207 C234 F236	D207-K250 HydrophobicContact CB-CD 4.31Å; D207-K250 IonicContact OD1-NZ 2.67Å; D207-K250 IonicContact OD2-NZ 2.77Å; D207-K250 PolarHBondContact OD2-NZ 3.3Å; C234-K250 HydrophobicContact CB-CD 4.14Å; C234-K250 HydrophobicContact CB-CG 4.42Å; F236-K250 HydrophobicContact CD1-CB 4.19Å; F236-K250 HydrophobicContact CE1-CB 3.86Å; F236-K250 HydrophobicContact CE2-CB 4.19Å; F236-K250 HydrophobicContact CE2-CG 4.3Å; F236-K250 HydrophobicContact CZ-CB 3.86Å; F236-K250 HydrophobicContact CZ-CD 4.49Å; F236-K250 HydrophobicContact CZ-CG 4.38Å
251	V	98.7	Very high	97	Very high	25 Å²	25	52.3 Å²	52.3	15%	0.152	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	-23.4	-176	-68.6	0	0	0	0	113.6	Y226 V235 R237 E249 P305	Y226-V251 HydrophobicContact CD1-CG2 3.99Å; Y226-V251 HydrophobicContact CE1-CG2 3.96Å; V235-V251 HydrophobicContact CB-CG2 4.47Å; V235-V251 HydrophobicContact CG1-CG2 4.33Å; V235-V251 VanDerWaalsContact O-CG2 3.29Å; V235-V251 WeakPolarHBondContact O-CG2 3.45Å; V235-V251 PolarHBondContact O-N 3Å; R237-V251 HydrophobicContact CB-CG1 3.66Å; R237-V251 HydrophobicContact CB-CG2 4.09Å; E249-V251 HydrophobicContact CG-CG1 4.05Å; E249-V251 PolarHBondContact O-N 3.4Å; V251-P305 HydrophobicContact CB-CG 3.97Å; V251-P305 HydrophobicContact CG2-CG 4.06Å
252	I	98.4	Very high	96.7	Very high	7 Å²	7	54.1 Å²	54.1	4%	0.036	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	140.9	173.8	-55.8	169.9	0	0	0	108.5	C234 V235 L284 F286 Y297 P305	C234-I252 CarbonylContact C-O 3.51Å; C234-I252 VanDerWaalsContact CA-O 3.3Å; C234-I252 WeakPolarHBondContact CA-O 3.34Å; V235-I252 HydrophobicContact CB-CB 3.88Å; V235-I252 HydrophobicContact CB-CD1 4.11Å; V235-I252 HydrophobicContact CB-CG1 4.25Å; V235-I252 HydrophobicContact CG2-CB 4.05Å; V235-I252 HydrophobicContact CG2-CD1 4.09Å; V235-I252 PolarHBondContact N-O 3.17Å; V235-I252 PolarHBondContact O-N 2.68Å; I252-L284 HydrophobicContact CD1-CD2 3.72Å; I252-F286 HydrophobicContact CD1-CE1 4.14Å; I252-F286 HydrophobicContact CG2-CE1 4.06Å; I252-F286 HydrophobicContact CG2-CZ 4.17Å; I252-Y297 HydrophobicContact CD1-CD1 3.69Å; I252-Y297 HydrophobicContact CD1-CD2 3.94Å; I252-Y297 HydrophobicContact CD1-CE1 3.96Å; I252-Y297 HydrophobicContact CD1-CE2 4.19Å; I252-Y297 HydrophobicContact CD1-CG 3.69Å; I252-Y297 HydrophobicContact CG1-CD1 4.12Å; I252-Y297 HydrophobicContact CG1-CE1 4.05Å; I252-Y297 HydrophobicContact CG2-CE1 3.9Å; I252-Y297 HydrophobicContact CG2-CE2 4.19Å; I252-Y297 WeakPolarHBondContact CG2-OH 3.29Å; I252-P305 HydrophobicContact CD1-CB 3.75Å; I252-P305 HydrophobicContact CD1-CG 4.1Å; I252-P305 HydrophobicContact CG1-CB 3.78Å; I252-P305 HydrophobicContact CG1-CG 3.94Å
253	S	96.5	Very high	96.2	Very high	68 Å²	68	53 Å²	53	48%	0.476	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	120.2	172.5	-178.4	0	0	0	0	109.1
254	V	96.6	Very high	95.7	Very high	2 Å²	2	48 Å²	48	1%	0.012	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-84.5	133.3	167.7	-178.7	0	0	0	0	106.8	G233 A269 I272 F286	G233-V254 WeakPolarHBondContact O-CB 3.45Å; G233-V254 PolarHBondContact O-N 3.29Å; V254-A269 HydrophobicContact CB-CB 4.24Å; V254-A269 HydrophobicContact CG1-CB 4.43Å; V254-A269 WeakPolarHBondContact O-CB 3.32Å; V254-I272 HydrophobicContact CG2-CD1 4.32Å; V254-F286 HydrophobicContact CG2-CE2 3.95Å; V254-F286 HydrophobicContact CG2-CZ 3.88Å
255	P	95.2	Very high	95.5	Very high	36 Å²	36	51.9 Å²	51.9	23%	0.234	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-82.3	149.5	179.3	31.6	-33.4	0	0	0	111.7	H291 P329 E330	P255-H291 PolarHBondContact O-CE1 2.88Å; P255-P329 HydrophobicContact CB-CB 3.92Å; P255-P329 HydrophobicContact CB-CG 3.96Å; P255-P329 HydrophobicContact CG-CB 3.94Å; P255-P329 HydrophobicContact CG-CG 4.3Å; P255-E330 HydrophobicContact CG-CG 3.49Å; P255-E330 VanDerWaalsContact CG-CG 3.49Å
256	S	94.9	Very high	95.2	Very high	28 Å²	28	54 Å²	54	20%	0.196	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-61.5	158.9	165.3	-58.9	0	0	0	0	111.7	E266 M267 P329	S256-E266 WeakPolarHBondContact CB-OE1 3.24Å; S256-E266 PolarHBondContact OG-OE1 2.88Å; S256-M267 WeakPolarHBondContact CA-O 3.44Å; S256-M267 VanDerWaalsContact CB-O 3.24Å; S256-M267 WeakPolarHBondContact CB-O 3.36Å; S256-P329 WeakPolarHBondContact O-CD 3.27Å; S256-P329 WeakPolarHBondContact O-CG 3.41Å
257	K	95.6	Very high	94.9	Very high	2 Å²	2	53 Å²	53	1%	0.009	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	140	176.6	-56.2	-168.3	-176.4	-152.4	0	110.9	V259 E266 M267 I317 V325 D328	K257-V259 HydrophobicContact CB-CG1 4.28Å; K257-E266 WeakPolarHBondContact O-CA 3.47Å; K257-M267 PolarHBondContact N-O 3.36Å; K257-M267 VanDerWaalsContact N-O 3.12Å; K257-M267 PolarHBondContact O-N 3.02Å; K257-I317 HydrophobicContact CD-CD1 4.1Å; K257-V325 HydrophobicContact CB-CG1 4.42Å; K257-V325 HydrophobicContact CD-CG1 4.39Å; K257-D328 HydrophobicContact CD-CB 4.42Å; K257-D328 WeakPolarHBondContact CE-OD1 3.4Å; K257-D328 IonicContact NZ-OD1 2.74Å; K257-D328 PolarHBondContact NZ-OD1 2.84Å; K257-D328 IonicContact NZ-OD2 3.38Å; K257-D328 PolarHBondContact NZ-OD2 2.87Å
258	K	96.7	Very high	94.3	Very high	104 Å²	104	53.6 Å²	53.6	45%	0.452	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	130.4	170.3	-63.3	-175	-173.4	156.9	0	108.9	P265 L326 E327	K258-P265 WeakPolarHBondContact CA-O 3.42Å; K258-L326 HydrophobicContact CB-CB 4.36Å; K258-L326 PolarHBondContact O-N 3.48Å; K258-E327 HydrophobicContact CB-CB 3.91Å; K258-E327 HydrophobicContact CD-CB 4.07Å; K258-E327 VanDerWaalsContact CD-OE2 3.29Å; K258-E327 WeakPolarHBondContact CD-OE2 3.49Å; K258-E327 VanDerWaalsContact CE-OE2 3.25Å; K258-E327 WeakPolarHBondContact CE-OE2 3.49Å; K258-E327 HydrophobicContact CG-CB 4.15Å; K258-E327 PolarHBondContact N-O 2.94Å; K258-E327 IonicContact NZ-OE2 2.78Å; K258-E327 PolarHBondContact NZ-OE2 3.16Å; K258-E327 PolarHBondContact O-N 2.78Å
259	V	96.7	Very high	93.4	Very high	7 Å²	7	52.1 Å²	52.1	4%	0.042	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	157.1	-170.9	-65	0	0	0	0	112.4	K257 W262 P265 M267 V323 K324 V325	K257-V259 HydrophobicContact CB-CG1 4.28Å; V259-W262 HydrophobicContact CG2-CB 3.57Å; V259-W262 HydrophobicContact CG2-CG 4.09Å; V259-P265 PolarHBondContact N-O 3.42Å; V259-M267 HydrophobicContact CG1-CB 4.04Å; V259-M267 HydrophobicContact CG2-CB 3.83Å; V259-V323 HydrophobicContact CB-CG1 3.7Å; V259-V323 HydrophobicContact CG1-CG1 3.75Å; V259-V323 HydrophobicContact CG2-CG1 4.34Å; V259-K324 CarbonylContact C-O 3.58Å; V259-K324 VanDerWaalsContact CA-O 3.22Å; V259-K324 WeakPolarHBondContact CA-O 3.41Å; V259-V325 HydrophobicContact CG1-CG2 4.32Å
260	E	96.7	Very high	92.1	Very high	114 Å²	114	50.2 Å²	50.2	53%	0.533	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	151.5	165.9	179.7	176.9	-151.1	0	0	108.8	V323 K324 L326	E260-V323 CarbonylContact O-C 3.53Å; E260-V323 WeakPolarHBondContact O-CA 3.27Å; E260-K324 HydrophobicContact CB-CB 4.38Å; E260-K324 PolarHBondContact N-O 2.73Å; E260-K324 PolarHBondContact O-N 3.09Å; E260-L326 HydrophobicContact CB-CD1 4.26Å; E260-L326 HydrophobicContact CB-CD2 4.39Å; E260-L326 HydrophobicContact CB-CG 4.42Å
261	G	92.9	Very high	91.8	Very high	55 Å²	55	46.6 Å²	46.6	57%	0.567	26%	0.261	S	S	*	.	S	Bend	trans	80	17.1	-178.6	0	0	0	0	0	114.6
262	W	91.8	Very high	91.7	Very high	65 Å²	65	45.4 Å²	45.4	25%	0.246	25%	0.254	C	S	.	.	S	Bend	trans	-120.2	162.2	176.2	-175.1	-115.6	0	0	0	111.2	V259 L264 M267 L290 V323 F375	V259-W262 HydrophobicContact CG2-CB 3.57Å; V259-W262 HydrophobicContact CG2-CG 4.09Å; W262-L264 VanDerWaalsContact CD1-O 3.32Å; W262-L264 PolarHBondContact O-N 2.61Å; W262-L264 VanDerWaalsContact O-N 3.16Å; W262-M267 HydrophobicContact CB-CE 4.38Å; W262-M267 HydrophobicContact CD2-CE 3.52Å; W262-M267 HydrophobicContact CE3-CE 3.68Å; W262-M267 HydrophobicContact CG-CE 3.83Å; W262-M267 HydrophobicContact CZ2-CE 4.42Å; W262-M267 HydrophobicContact CZ3-CE 4.2Å; W262-L290 HydrophobicContact CH2-CD1 3.79Å; W262-L290 HydrophobicContact CZ2-CD1 3.98Å; W262-L290 HydrophobicContact CZ2-CD2 4.48Å; W262-V323 HydrophobicContact CB-CG1 4.5Å; W262-V323 HydrophobicContact CB-CG2 4.38Å; W262-V323 HydrophobicContact CE3-CG2 4.02Å; W262-F375 AromaticContact CH2-CD1 3.63Å; W262-F375 HydrophobicContact CH2-CD1 3.63Å; W262-F375 AromaticContact CH2-CE1 3.65Å; W262-F375 HydrophobicContact CH2-CE1 3.65Å; W262-F375 HydrophobicContact CZ2-CD1 4.32Å; W262-F375 AromaticContact CZ2-CE1 3.88Å; W262-F375 HydrophobicContact CZ2-CE1 3.88Å
263	M	86	Confident	91.5	Very high	120 Å²	120	45.1 Å²	45.1	59%	0.591	25%	0.253	S	S	*	.	S	Bend	trans	-59.4	-26.9	-179.1	-176.5	171.9	64.3	0	0	113.5	P176	P176-M263 HydrophobicContact CG-CE 4Å
264	L	88	Confident	91.6	Very high	84 Å²	84	42 Å²	42	44%	0.44	23%	0.23	S	C	.	.	S	Bend	trans	-128.8	152.2	178.5	-63.7	175.6	0	0	0	109.9	W262 E266	W262-L264 VanDerWaalsContact CD1-O 3.32Å; W262-L264 PolarHBondContact O-N 2.61Å; W262-L264 VanDerWaalsContact O-N 3.16Å; L264-E266 WeakPolarHBondContact CB-O 3.04Å; L264-E266 PolarHBondContact O-N 3.08Å
265	P	90	Very high	91.7	Very high	105 Å²	105	41.9 Å²	41.9	68%	0.682	23%	0.23	S	C	*	.	S	Bend	trans	-66.9	-20	177	28	-35.8	0	0	0	113.1	K258 V259	K258-P265 WeakPolarHBondContact CA-O 3.42Å; V259-P265 PolarHBondContact N-O 3.42Å
266	E	92.2	Very high	91.8	Very high	101 Å²	101	40.1 Å²	40.1	47%	0.472	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119	174.3	-171.8	176.5	143.5	0	0	108.3	S256 K257 L264	S256-E266 WeakPolarHBondContact CB-OE1 3.24Å; S256-E266 PolarHBondContact OG-OE1 2.88Å; K257-E266 WeakPolarHBondContact O-CA 3.47Å; L264-E266 WeakPolarHBondContact CB-O 3.04Å; L264-E266 PolarHBondContact O-N 3.08Å
267	M	92.1	Very high	92	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	122.7	172.3	-177.9	174	-77.8	0	0	108	S256 K257 V259 W262 L290 I317 V323	S256-M267 WeakPolarHBondContact CA-O 3.44Å; S256-M267 VanDerWaalsContact CB-O 3.24Å; S256-M267 WeakPolarHBondContact CB-O 3.36Å; K257-M267 PolarHBondContact N-O 3.36Å; K257-M267 VanDerWaalsContact N-O 3.12Å; K257-M267 PolarHBondContact O-N 3.02Å; V259-M267 HydrophobicContact CG1-CB 4.04Å; V259-M267 HydrophobicContact CG2-CB 3.83Å; W262-M267 HydrophobicContact CB-CE 4.38Å; W262-M267 HydrophobicContact CD2-CE 3.52Å; W262-M267 HydrophobicContact CE3-CE 3.68Å; W262-M267 HydrophobicContact CG-CE 3.83Å; W262-M267 HydrophobicContact CZ2-CE 4.42Å; W262-M267 HydrophobicContact CZ3-CE 4.2Å; M267-L290 HydrophobicContact CG-CD2 3.65Å; M267-L290 HydrophobicContact CG-CG 4.11Å; M267-L290 HydrophobicContact SD-CD2 4.21Å; M267-L290 HydrophobicContact SD-CG 3.98Å; M267-I317 HydrophobicContact CE-CG2 4.14Å; M267-I317 HydrophobicContact SD-CG2 3.55Å; M267-I317 VanDerWaalsContact SD-CG2 3.55Å; M267-V323 HydrophobicContact CE-CG1 3.91Å; M267-V323 HydrophobicContact CE-CG2 4.13Å
268	P	86.4	Confident	92.1	Very high	36 Å²	36	38.8 Å²	38.8	23%	0.234	21%	0.209	C	C	.	.			trans	-55	147.5	177.5	-24	32.9	0	0	0	111.5	G270 H291	P268-G270 PolarHBondContact O-N 3.46Å; P268-G270 VanDerWaalsContact O-N 3.1Å; P268-H291 PolarHBondContact O-NE2 3.27Å
269	A	78.6	Confident	92.1	Very high	3 Å²	3	36.5 Å²	36.5	3%	0.025	20%	0.202	C	C	.	.	S	Bend	trans	-52.2	115.4	175.9	0	0	0	0	0	112.3	R232 G233 V254 L271	R232-A269 WeakPolarHBondContact O-CB 3.35Å; G233-A269 WeakPolarHBondContact CA-O 3.41Å; G233-A269 PolarHBondContact N-O 2.92Å; V254-A269 HydrophobicContact CB-CB 4.24Å; V254-A269 HydrophobicContact CG1-CB 4.43Å; V254-A269 WeakPolarHBondContact O-CB 3.32Å; A269-L271 PolarHBondContact O-N 3.08Å
270	G	72.4	Confident	92.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.224	C	C	.	.			trans	67.2	-42.9	151.4	0	0	0	0	0	118.5	P268 N288 W289 L290 H291	P268-G270 PolarHBondContact O-N 3.46Å; P268-G270 VanDerWaalsContact O-N 3.1Å; G270-N288 WeakPolarHBondContact CA-OD1 3.33Å; G270-N288 CarbonylContact O-C 3.59Å; G270-N288 WeakPolarHBondContact O-CA 3.48Å; G270-N288 VanDerWaalsContact O-CB 3.3Å; G270-N288 WeakPolarHBondContact O-CB 3.42Å; G270-W289 PolarHBondContact O-N 2.64Å; G270-L290 PolarHBondContact O-N 3.5Å; G270-H291 PolarHBondContact N-CE1 3.49Å; G270-H291 PolarHBondContact N-ND1 3.02Å; G270-H291 PolarHBondContact N-NE2 2.88Å; G270-H291 PolarHBondContact O-N 3.03Å
271	L	91.2	Very high	92.2	Very high	16 Å²	16	35.9 Å²	35.9	8%	0.084	20%	0.202	C	C	.	.			trans	47.1	75.9	-159.1	-157.9	81	0	0	0	110.8	A230 A269 T273 W289 L290 L367 W371	A230-L271 HydrophobicContact CB-CD1 3.87Å; A230-L271 HydrophobicContact CB-CG 4.18Å; A230-L271 VanDerWaalsContact O-CA 3.28Å; A230-L271 WeakPolarHBondContact O-CA 3.45Å; A269-L271 PolarHBondContact O-N 3.08Å; L271-T273 HydrophobicContact CD2-CG2 4.02Å; L271-T273 HydrophobicContact CG-CG2 4.15Å; L271-T273 PolarHBondContact O-N 3.36Å; L271-W289 HydrophobicContact CD2-CB 4.49Å; L271-W289 HydrophobicContact CD2-CD2 4.49Å; L271-W289 HydrophobicContact CD2-CE3 3.59Å; L271-W289 HydrophobicContact CD2-CZ3 4.2Å; L271-W289 PolarHBondContact O-N 2.55Å; L271-L290 HydrophobicContact CB-CB 3.66Å; L271-L367 HydrophobicContact CD2-CD2 4.21Å; L271-W371 HydrophobicContact CD1-CZ3 4.28Å; L271-W371 HydrophobicContact CD2-CE3 4.21Å; L271-W371 HydrophobicContact CD2-CZ3 3.98Å
272	I	96.7	Very high	92.4	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	103.6	177.4	-65.2	176.1	0	0	0	108.6	A230 G233 V235 V254 I275 F286 S287 N288	A230-I272 VanDerWaalsContact CA-O 3.26Å; A230-I272 WeakPolarHBondContact CA-O 3.37Å; A230-I272 WeakPolarHBondContact CB-O 3.32Å; G233-I272 VanDerWaalsContact C-CD1 3.4Å; V235-I272 HydrophobicContact CG2-CD1 3.98Å; V254-I272 HydrophobicContact CG2-CD1 4.32Å; I272-I275 HydrophobicContact CG2-CG2 3.79Å; I272-F286 HydrophobicContact CD1-CD2 3.91Å; I272-F286 HydrophobicContact CD1-CE1 4.47Å; I272-F286 HydrophobicContact CD1-CE2 3.73Å; I272-F286 HydrophobicContact CD1-CG 4.36Å; I272-F286 HydrophobicContact CD1-CZ 4Å; I272-F286 HydrophobicContact CG1-CD2 3.81Å; I272-F286 HydrophobicContact CG1-CE2 3.91Å; I272-F286 HydrophobicContact CG2-CB 3.99Å; I272-F286 HydrophobicContact CG2-CD2 4.26Å; I272-F286 HydrophobicContact CG2-CG 4.28Å; I272-S287 WeakPolarHBondContact CA-O 3.26Å; I272-N288 VanDerWaalsContact CG1-OD1 3.26Å; I272-N288 WeakPolarHBondContact CG1-OD1 3.23Å
273	T	95.1	Very high	92.8	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-37.5	-174.8	54.4	0	0	0	0	113.2	L271 S287 W289 Q350 L367	L271-T273 HydrophobicContact CD2-CG2 4.02Å; L271-T273 HydrophobicContact CG-CG2 4.15Å; L271-T273 PolarHBondContact O-N 3.36Å; T273-S287 PolarHBondContact N-O 3.43Å; T273-S287 PolarHBondContact OG1-OG 3.26Å; T273-S287 VanDerWaalsContact OG1-OG 3.05Å; T273-W289 HydrophobicContact CG2-CB 3.53Å; T273-W289 HydrophobicContact CG2-CG 4.16Å; T273-Q350 PolarHBondContact OG1-OE1 2.74Å; T273-L367 HydrophobicContact CG2-CD1 3.75Å; T273-L367 HydrophobicContact CG2-CD2 3.83Å; T273-L367 HydrophobicContact CG2-CG 4.37Å
274	D	98.1	Very high	93.4	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	146.5	-179.7	-179.1	33.9	0	0	0	111.4	E213 R215 F286 S287 M351 L352	E213-D274 HydrophobicContact CG-CB 4.33Å; E213-D274 WeakPolarHBondContact CG-OD1 3.23Å; R215-D274 IonicContact NH2-OD1 2.71Å; R215-D274 PolarHBondContact NH2-OD1 2.99Å; D274-F286 WeakPolarHBondContact O-CA 3.41Å; D274-F286 VanDerWaalsContact O-CB 3.26Å; D274-F286 WeakPolarHBondContact O-CB 3.4Å; D274-S287 PolarHBondContact N-OG 3.32Å; D274-S287 PolarHBondContact O-N 3.02Å; D274-S287 VanDerWaalsContact O-N 3.13Å; D274-M351 HydrophobicContact CB-SD 4.14Å; D274-L352 WeakPolarHBondContact OD2-CA 3.42Å; D274-L352 VanDerWaalsContact OD2-CB 3.27Å; D274-L352 WeakPolarHBondContact OD2-CB 3.41Å; D274-L352 PolarHBondContact OD2-N 2.95Å
275	I	98.6	Very high	93.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	147.3	171.8	74.8	166.3	0	0	0	110.3	E213 R215 Y226 I272 L284 Y285 F286	E213-I275 HydrophobicContact CB-CG1 3.99Å; E213-I275 WeakPolarHBondContact O-CD1 3.32Å; R215-I275 HydrophobicContact CB-CD1 4.42Å; R215-I275 HydrophobicContact CG-CD1 4.09Å; R215-I275 HydrophobicContact CG-CG1 3.8Å; R215-I275 PolarHBondContact NE-O 2.85Å; R215-I275 PolarHBondContact NH2-O 2.62Å; Y226-I275 WeakPolarHBondContact O-CD1 3.17Å; I272-I275 HydrophobicContact CG2-CG2 3.79Å; I275-L284 HydrophobicContact CD1-CD1 4.3Å; I275-Y285 CarbonylContact C-O 3.54Å; I275-Y285 VanDerWaalsContact CA-O 3.22Å; I275-Y285 WeakPolarHBondContact CA-O 3.28Å; I275-F286 HydrophobicContact CB-CB 4.33Å; I275-F286 HydrophobicContact CG2-CB 3.69Å
276	L	97.8	Very high	94.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	162.4	168	63.1	79.9	0	0	0	111.6	L284 Y285 L352 L354 L361 T429	L276-L284 WeakPolarHBondContact O-CA 3.29Å; L276-Y285 HydrophobicContact CD1-CD2 3.44Å; L276-Y285 VanDerWaalsContact CD1-CD2 3.44Å; L276-Y285 HydrophobicContact CD1-CE2 4.22Å; L276-Y285 HydrophobicContact CD1-CG 3.95Å; L276-Y285 PolarHBondContact N-O 2.84Å; L276-Y285 PolarHBondContact O-N 3.36Å; L276-L352 VanDerWaalsContact CD2-C 3.5Å; L276-L352 HydrophobicContact CD2-CB 3.51Å; L276-L352 WeakPolarHBondContact CD2-O 3.3Å; L276-L352 HydrophobicContact CG-CB 4.25Å; L276-L354 HydrophobicContact CD1-CB 3.68Å; L276-L354 HydrophobicContact CD1-CD2 4.13Å; L276-L354 HydrophobicContact CD1-CG 4.49Å; L276-L354 HydrophobicContact CD2-CB 4.21Å; L276-L361 HydrophobicContact CD1-CD1 4.47Å; L276-L361 HydrophobicContact CD2-CD1 4.09Å; L276-T429 HydrophobicContact CB-CG2 3.72Å
277	I	98.6	Very high	94.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	138	179.5	-57	178.5	0	0	0	108.4	R215 L217 H218 Y226 D281 F283 L284 I299	R215-I277 HydrophobicContact CB-CD1 3.81Å; R215-I277 HydrophobicContact CB-CG1 4.08Å; L217-I277 HydrophobicContact CD2-CD1 3.96Å; L217-I277 HydrophobicContact CD2-CG2 4.45Å; H218-I277 PolarHBondContact NE2-O 3.23Å; Y226-I277 HydrophobicContact CD2-CD1 3.77Å; Y226-I277 HydrophobicContact CE2-CD1 4.36Å; I277-D281 WeakPolarHBondContact CG2-OD1 3.18Å; I277-F283 CarbonylContact C-O 3.53Å; I277-F283 WeakPolarHBondContact CA-O 3.43Å; I277-L284 HydrophobicContact CD1-CD1 4.49Å; I277-L284 HydrophobicContact CG1-CD1 4.1Å; I277-I299 HydrophobicContact CG2-CD1 3.93Å
278	S	98.1	Very high	94.8	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.014	7%	0.071	C	C	.	.			trans	-65.6	147.1	172.4	56.1	0	0	0	0	111.3	H218 D280 D281 R282 F283	H218-S278 PolarHBondContact CD2-O 3.32Å; S278-D280 VanDerWaalsContact CB-OD1 3.26Å; S278-D280 WeakPolarHBondContact CB-OD1 3.49Å; S278-D280 PolarHBondContact O-N 3.19Å; S278-D280 PolarHBondContact OG-OD1 3.48Å; S278-D281 WeakPolarHBondContact O-CA 3.31Å; S278-D281 PolarHBondContact O-N 2.91Å; S278-R282 PolarHBondContact OG-N 3.45Å; S278-F283 PolarHBondContact N-O 3.44Å; S278-F283 PolarHBondContact OG-N 3.24Å; S278-F283 PolarHBondContact OG-O 3.48Å
279	L	96.6	Very high	95.3	Very high	55 Å²	55	12 Å²	12	29%	0.288	6%	0.06	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-23.5	-174.2	-73.4	-170.6	0	0	0	115.6	H218 D281 L356 C428 W433	H218-L279 VanDerWaalsContact CD2-CA 3.49Å; H218-L279 WeakPolarHBondContact CD2-CA 3.34Å; L279-D281 PolarHBondContact O-N 3.23Å; L279-L356 HydrophobicContact CD1-CB 3.75Å; L279-L356 HydrophobicContact CD1-CD2 3.62Å; L279-L356 HydrophobicContact CD1-CG 4.26Å; L279-L356 WeakPolarHBondContact CD1-O 3.24Å; L279-L356 HydrophobicContact CG-CD2 4.47Å; L279-C428 HydrophobicContact CD2-CB 4.03Å; L279-C428 HydrophobicContact CG-CB 4.38Å; L279-W433 HydrophobicContact CD2-CH2 3.34Å; L279-W433 HydrophobicContact CD2-CZ2 3.78Å; L279-W433 HydrophobicContact CD2-CZ3 4.21Å
280	D	96.8	Very high	96.1	Very high	95 Å²	95	12.1 Å²	12.1	51%	0.508	6%	0.06	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	7.6	175.1	66.1	-12.8	0	0	0	113.1	S278 R282	S278-D280 VanDerWaalsContact CB-OD1 3.26Å; S278-D280 WeakPolarHBondContact CB-OD1 3.49Å; S278-D280 PolarHBondContact O-N 3.19Å; S278-D280 PolarHBondContact OG-OD1 3.48Å; D280-R282 VanDerWaalsContact CG-CB 3.48Å; D280-R282 PolarHBondContact O-N 3.14Å; D280-R282 VanDerWaalsContact O-N 3.13Å; D280-R282 VanDerWaalsContact OD1-CB 3.32Å; D280-R282 WeakPolarHBondContact OD1-CB 3.33Å; D280-R282 PolarHBondContact OD1-N 2.91Å; D280-R282 VanDerWaalsContact OD1-N 3.14Å; D280-R282 WeakPolarHBondContact OD2-CB 3.45Å
281	D	98.2	Very high	97.2	Very high	13 Å²	13	12.1 Å²	12.1	7%	0.07	6%	0.06	C	C	.	.	S	Bend	trans	53.3	28.8	-175.4	-71.5	-39.3	0	0	0	113.6	L217 H218 D219 I277 S278 L279 R302	L217-D281 WeakPolarHBondContact CA-OD1 3.06Å; L217-D281 HydrophobicContact CD2-CB 4.16Å; H218-D281 IonicContact CD2-OD1 2.9Å; H218-D281 PolarHBondContact CD2-OD1 3.1Å; H218-D281 VanDerWaalsContact CD2-OD1 3.23Å; H218-D281 IonicContact CG-OD1 2.68Å; H218-D281 VanDerWaalsContact N-CG 3.29Å; H218-D281 PolarHBondContact N-OD1 2.92Å; H218-D281 PolarHBondContact N-OD2 3.02Å; H218-D281 VanDerWaalsContact N-OD2 3.08Å; D219-D281 PolarHBondContact N-OD2 2.87Å; I277-D281 WeakPolarHBondContact CG2-OD1 3.18Å; S278-D281 WeakPolarHBondContact O-CA 3.31Å; S278-D281 PolarHBondContact O-N 2.91Å; L279-D281 PolarHBondContact O-N 3.23Å; D281-R302 PolarHBondContact O-NH1 3.25Å; D281-R302 PolarHBondContact O-NH2 2.74Å
282	R	97.9	Very high	97.4	Very high	63 Å²	63	11.4 Å²	11.4	24%	0.238	6%	0.056	C	C	.	.			trans	-98.3	-33.3	-174.3	-170.2	179	161.9	-157.7	-7	113.7	S278 D280 I299 A393 E394	S278-R282 PolarHBondContact OG-N 3.45Å; D280-R282 VanDerWaalsContact CG-CB 3.48Å; D280-R282 PolarHBondContact O-N 3.14Å; D280-R282 VanDerWaalsContact O-N 3.13Å; D280-R282 VanDerWaalsContact OD1-CB 3.32Å; D280-R282 WeakPolarHBondContact OD1-CB 3.33Å; D280-R282 PolarHBondContact OD1-N 2.91Å; D280-R282 VanDerWaalsContact OD1-N 3.14Å; D280-R282 WeakPolarHBondContact OD2-CB 3.45Å; R282-I299 VanDerWaalsContact O-CG1 3.23Å; R282-I299 WeakPolarHBondContact O-CG1 3.29Å; R282-I299 PolarHBondContact O-N 3.29Å; R282-A393 PolarHBondContact NH1-O 3.44Å; R282-A393 VanDerWaalsContact NH1-O 3.12Å; R282-E394 VanDerWaalsContact CZ-O 3.29Å; R282-E394 PolarHBondContact NH1-O 3.23Å; R282-E394 PolarHBondContact NH2-O 3.07Å
283	F	98.8	Very high	97.4	Very high	1 Å²	1	11.4 Å²	11.4	0%	0.004	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	136.2	-176.5	-62	-71.8	0	0	0	112.3	I277 S278 Y285 Q296 Y297 D298 V308 A393	I277-F283 CarbonylContact C-O 3.53Å; I277-F283 WeakPolarHBondContact CA-O 3.43Å; S278-F283 PolarHBondContact N-O 3.44Å; S278-F283 PolarHBondContact OG-N 3.24Å; S278-F283 PolarHBondContact OG-O 3.48Å; F283-Y285 HydrophobicContact CB-CD2 4.35Å; F283-Y285 HydrophobicContact CB-CE2 3.49Å; F283-Y285 VanDerWaalsContact CB-CE2 3.49Å; F283-Q296 HydrophobicContact CB-CG 4.22Å; F283-Q296 HydrophobicContact CD1-CG 3.98Å; F283-Q296 HydrophobicContact CG-CG 4.27Å; F283-Y297 CarbonylContact C-O 3.59Å; F283-Y297 WeakPolarHBondContact CA-O 3.39Å; F283-D298 HydrophobicContact CD1-CB 4.25Å; F283-D298 HydrophobicContact CE1-CB 4.02Å; F283-V308 HydrophobicContact CD1-CG2 4.02Å; F283-V308 HydrophobicContact CE1-CG2 3.84Å; F283-A393 WeakPolarHBondContact CE2-O 3.19Å
284	L	98.8	Very high	97.6	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	133.8	166.8	177.5	121.3	0	0	0	109	Y226 V235 I252 I275 L276 I277 F286 Q296 Y297 I299	Y226-L284 HydrophobicContact CD1-CD1 4.42Å; Y226-L284 HydrophobicContact CD2-CD1 3.86Å; Y226-L284 HydrophobicContact CG-CD1 3.73Å; V235-L284 HydrophobicContact CG1-CD2 4.45Å; I252-L284 HydrophobicContact CD1-CD2 3.72Å; I275-L284 HydrophobicContact CD1-CD1 4.3Å; L276-L284 WeakPolarHBondContact O-CA 3.29Å; I277-L284 HydrophobicContact CD1-CD1 4.49Å; I277-L284 HydrophobicContact CG1-CD1 4.1Å; L284-F286 HydrophobicContact CD2-CD1 3.91Å; L284-F286 HydrophobicContact CD2-CE1 4.48Å; L284-Q296 CarbonylContact O-C 3.54Å; L284-Q296 WeakPolarHBondContact O-CA 3.46Å; L284-Y297 PolarHBondContact N-O 2.94Å; L284-Y297 PolarHBondContact O-N 2.83Å; L284-I299 HydrophobicContact CB-CD1 4.26Å; L284-I299 HydrophobicContact CB-CG2 3.6Å
285	Y	98.8	Very high	97.6	Very high	1 Å²	1	11.3 Å²	11.3	0%	0.004	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	146	176.6	-54.5	-104.3	0	0	0	108.6	I275 L276 F283 R295 Q296 L354 L361 V391 L398	I275-Y285 CarbonylContact C-O 3.54Å; I275-Y285 VanDerWaalsContact CA-O 3.22Å; I275-Y285 WeakPolarHBondContact CA-O 3.28Å; L276-Y285 HydrophobicContact CD1-CD2 3.44Å; L276-Y285 VanDerWaalsContact CD1-CD2 3.44Å; L276-Y285 HydrophobicContact CD1-CE2 4.22Å; L276-Y285 HydrophobicContact CD1-CG 3.95Å; L276-Y285 PolarHBondContact N-O 2.84Å; L276-Y285 PolarHBondContact O-N 3.36Å; F283-Y285 HydrophobicContact CB-CD2 4.35Å; F283-Y285 HydrophobicContact CB-CE2 3.49Å; F283-Y285 VanDerWaalsContact CB-CE2 3.49Å; Y285-R295 VanDerWaalsContact CA-O 3.25Å; Y285-R295 WeakPolarHBondContact CA-O 3.1Å; Y285-Q296 HydrophobicContact CD1-CB 3.92Å; Y285-Q296 HydrophobicContact CD1-CG 3.92Å; Y285-Q296 HydrophobicContact CE1-CB 3.9Å; Y285-Q296 HydrophobicContact CE1-CG 3.46Å; Y285-Q296 VanDerWaalsContact CE1-CG 3.46Å; Y285-Q296 PolarHBondContact OH-NE2 3.05Å; Y285-L354 HydrophobicContact CD2-CD2 4.41Å; Y285-L354 HydrophobicContact CE2-CD2 3.75Å; Y285-L361 HydrophobicContact CD1-CD2 4Å; Y285-V391 HydrophobicContact CE1-CG1 4.03Å; Y285-V391 HydrophobicContact CE1-CG2 4.43Å; Y285-V391 WeakPolarHBondContact OH-CG1 3.01Å; Y285-L398 HydrophobicContact CD1-CD2 4.31Å; Y285-L398 HydrophobicContact CE1-CD2 4.01Å
286	F	98.4	Very high	97.6	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	155.2	169.2	64.9	-105.7	0	0	0	112.6	V235 I252 V254 I272 D274 I275 L284 N288 I294 R295 Y297	V235-F286 HydrophobicContact CG2-CD1 4.21Å; V235-F286 HydrophobicContact CG2-CE1 4.22Å; I252-F286 HydrophobicContact CD1-CE1 4.14Å; I252-F286 HydrophobicContact CG2-CE1 4.06Å; I252-F286 HydrophobicContact CG2-CZ 4.17Å; V254-F286 HydrophobicContact CG2-CE2 3.95Å; V254-F286 HydrophobicContact CG2-CZ 3.88Å; I272-F286 HydrophobicContact CD1-CD2 3.91Å; I272-F286 HydrophobicContact CD1-CE1 4.47Å; I272-F286 HydrophobicContact CD1-CE2 3.73Å; I272-F286 HydrophobicContact CD1-CG 4.36Å; I272-F286 HydrophobicContact CD1-CZ 4Å; I272-F286 HydrophobicContact CG1-CD2 3.81Å; I272-F286 HydrophobicContact CG1-CE2 3.91Å; I272-F286 HydrophobicContact CG2-CB 3.99Å; I272-F286 HydrophobicContact CG2-CD2 4.26Å; I272-F286 HydrophobicContact CG2-CG 4.28Å; D274-F286 WeakPolarHBondContact O-CA 3.41Å; D274-F286 VanDerWaalsContact O-CB 3.26Å; D274-F286 WeakPolarHBondContact O-CB 3.4Å; I275-F286 HydrophobicContact CB-CB 4.33Å; I275-F286 HydrophobicContact CG2-CB 3.69Å; L284-F286 HydrophobicContact CD2-CD1 3.91Å; L284-F286 HydrophobicContact CD2-CE1 4.48Å; F286-N288 WeakPolarHBondContact CE2-OD1 3.38Å; F286-I294 WeakPolarHBondContact O-CA 2.99Å; F286-R295 HydrophobicContact CD1-CB 4.46Å; F286-R295 HydrophobicContact CD2-CB 4.33Å; F286-R295 HydrophobicContact CE1-CB 4.12Å; F286-R295 HydrophobicContact CE2-CB 3.94Å; F286-R295 HydrophobicContact CE2-CG 3.86Å; F286-R295 HydrophobicContact CZ-CB 3.86Å; F286-R295 HydrophobicContact CZ-CG 4.03Å; F286-R295 PolarHBondContact N-O 2.99Å; F286-R295 VanDerWaalsContact N-O 3.08Å; F286-R295 PolarHBondContact O-N 2.88Å; F286-Y297 HydrophobicContact CD1-CD2 4.2Å; F286-Y297 HydrophobicContact CD1-CE2 4.16Å; F286-Y297 AromaticContact CE1-CD2 3.57Å; F286-Y297 HydrophobicContact CE1-CD2 3.57Å; F286-Y297 AromaticContact CE1-CE2 3.16Å; F286-Y297 HydrophobicContact CE1-CE2 3.16Å; F286-Y297 HydrophobicContact CZ-CD2 4.36Å; F286-Y297 AromaticContact CZ-CE2 3.53Å; F286-Y297 HydrophobicContact CZ-CE2 3.53Å
287	S	97.9	Very high	97.7	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	123	175.4	58.3	0	0	0	0	110.9	I272 T273 D274 W289 P349 Q350	I272-S287 WeakPolarHBondContact CA-O 3.26Å; T273-S287 PolarHBondContact N-O 3.43Å; T273-S287 PolarHBondContact OG1-OG 3.26Å; T273-S287 VanDerWaalsContact OG1-OG 3.05Å; D274-S287 PolarHBondContact N-OG 3.32Å; D274-S287 PolarHBondContact O-N 3.02Å; D274-S287 VanDerWaalsContact O-N 3.13Å; S287-W289 PolarHBondContact O-N 3.22Å; S287-P349 WeakPolarHBondContact CB-O 3.4Å; S287-Q350 WeakPolarHBondContact CB-O 3.27Å; S287-Q350 PolarHBondContact OG-O 3.03Å
288	N	96.6	Very high	97.7	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	91	166.5	-74.7	-40.8	0	0	0	108.8	G270 I272 F286 L290 H291 G292 D293 R295	G270-N288 WeakPolarHBondContact CA-OD1 3.33Å; G270-N288 CarbonylContact O-C 3.59Å; G270-N288 WeakPolarHBondContact O-CA 3.48Å; G270-N288 VanDerWaalsContact O-CB 3.3Å; G270-N288 WeakPolarHBondContact O-CB 3.42Å; I272-N288 VanDerWaalsContact CG1-OD1 3.26Å; I272-N288 WeakPolarHBondContact CG1-OD1 3.23Å; F286-N288 WeakPolarHBondContact CE2-OD1 3.38Å; N288-L290 VanDerWaalsContact C-N 3.27Å; N288-L290 PolarHBondContact O-N 2.79Å; N288-H291 HydrophobicContact CB-CB 4.09Å; N288-H291 PolarHBondContact O-N 2.79Å; N288-G292 PolarHBondContact O-N 2.99Å; N288-D293 WeakPolarHBondContact CB-O 3.45Å; N288-D293 WeakPolarHBondContact CB-OD1 3.42Å; N288-D293 PolarHBondContact N-O 3.19Å; N288-D293 PolarHBondContact ND2-OD1 3.42Å; N288-D293 PolarHBondContact ND2-OD2 2.86Å; N288-R295 PolarHBondContact ND2-NE 3.35Å; N288-R295 VanDerWaalsContact ND2-NE 3.2Å
289	W	97.1	Very high	97.7	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-27.4	-173.8	-169.9	77.4	0	0	0	113.3	G270 L271 T273 S287 S348 Q350 T365 L367 W371 D372 F375 Y376	G270-W289 PolarHBondContact O-N 2.64Å; L271-W289 HydrophobicContact CD2-CB 4.49Å; L271-W289 HydrophobicContact CD2-CD2 4.49Å; L271-W289 HydrophobicContact CD2-CE3 3.59Å; L271-W289 HydrophobicContact CD2-CZ3 4.2Å; L271-W289 PolarHBondContact O-N 2.55Å; T273-W289 HydrophobicContact CG2-CB 3.53Å; T273-W289 HydrophobicContact CG2-CG 4.16Å; S287-W289 PolarHBondContact O-N 3.22Å; W289-S348 VanDerWaalsContact C-OG 3.24Å; W289-S348 WeakPolarHBondContact CA-OG 3.34Å; W289-S348 WeakPolarHBondContact O-CB 3.47Å; W289-S348 PolarHBondContact O-OG 2.76Å; W289-Q350 HydrophobicContact CG-CG 4.23Å; W289-T365 PolarHBondContact NE1-O 2.79Å; W289-L367 HydrophobicContact CD2-CB 4.17Å; W289-L367 HydrophobicContact CD2-CD2 4.16Å; W289-L367 HydrophobicContact CE3-CD2 4.01Å; W289-L367 HydrophobicContact CH2-CB 4.21Å; W289-L367 HydrophobicContact CH2-CD2 4.29Å; W289-L367 HydrophobicContact CZ2-CB 3.69Å; W289-L367 HydrophobicContact CZ2-CD2 4.48Å; W289-L367 HydrophobicContact CZ3-CD2 4.07Å; W289-W371 HydrophobicContact CH2-CB 4.33Å; W289-D372 WeakPolarHBondContact CZ2-OD1 3.09Å; W289-F375 HydrophobicContact CH2-CB 3.65Å; W289-F375 HydrophobicContact CH2-CD2 4.22Å; W289-F375 HydrophobicContact CH2-CG 4.15Å; W289-F375 HydrophobicContact CZ3-CB 3.61Å; W289-F375 HydrophobicContact CZ3-CD1 4.38Å; W289-F375 AromaticContact CZ3-CD2 3.85Å; W289-F375 HydrophobicContact CZ3-CD2 3.85Å; W289-F375 AromaticContact CZ3-CG 3.7Å; W289-F375 HydrophobicContact CZ3-CG 3.7Å; W289-Y376 HydrophobicContact CD2-CD2 4.38Å; W289-Y376 AromaticContact CD2-CE2 3.71Å; W289-Y376 HydrophobicContact CD2-CE2 3.71Å; W289-Y376 AromaticContact CE2-CD2 3.75Å; W289-Y376 AromaticContact CE2-CE2 3.53Å; W289-Y376 HydrophobicContact CE3-CD2 4.48Å; W289-Y376 AromaticContact CE3-CE2 3.75Å; W289-Y376 HydrophobicContact CE3-CE2 3.75Å; W289-Y376 AromaticContact CH2-CD2 3.53Å; W289-Y376 HydrophobicContact CH2-CD2 3.53Å; W289-Y376 AromaticContact CH2-CE2 3.64Å; W289-Y376 HydrophobicContact CH2-CE2 3.64Å; W289-Y376 AromaticContact CZ2-CD2 3.31Å; W289-Y376 HydrophobicContact CZ2-CD2 3.31Å; W289-Y376 AromaticContact CZ2-CE2 3.52Å; W289-Y376 HydrophobicContact CZ2-CE2 3.52Å; W289-Y376 HydrophobicContact CZ3-CD2 4.11Å; W289-Y376 AromaticContact CZ3-CE2 3.73Å; W289-Y376 HydrophobicContact CZ3-CE2 3.73Å; W289-Y376 PolarHBondContact O-OH 3.16Å
290	L	94.9	Very high	97.8	Very high	6 Å²	6	14.7 Å²	14.7	3%	0.031	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-45.4	176.6	-173	63.1	0	0	0	112.3	W262 M267 G270 L271 N288 S316 F375 Y376	W262-L290 HydrophobicContact CH2-CD1 3.79Å; W262-L290 HydrophobicContact CZ2-CD1 3.98Å; W262-L290 HydrophobicContact CZ2-CD2 4.48Å; M267-L290 HydrophobicContact CG-CD2 3.65Å; M267-L290 HydrophobicContact CG-CG 4.11Å; M267-L290 HydrophobicContact SD-CD2 4.21Å; M267-L290 HydrophobicContact SD-CG 3.98Å; G270-L290 PolarHBondContact O-N 3.5Å; L271-L290 HydrophobicContact CB-CB 3.66Å; N288-L290 VanDerWaalsContact C-N 3.27Å; N288-L290 PolarHBondContact O-N 2.79Å; L290-S316 WeakPolarHBondContact O-CB 3.41Å; L290-S316 PolarHBondContact O-N 3.38Å; L290-F375 HydrophobicContact CD1-CD1 3.82Å; L290-F375 HydrophobicContact CD1-CE1 4.04Å; L290-Y376 PolarHBondContact O-OH 2.9Å
291	H	95.4	Very high	97.8	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-25.1	-179.3	-71.8	180	0	0	0	113.5	P255 P268 G270 N288 I317	P255-H291 PolarHBondContact O-CE1 2.88Å; P268-H291 PolarHBondContact O-NE2 3.27Å; G270-H291 PolarHBondContact N-CE1 3.49Å; G270-H291 PolarHBondContact N-ND1 3.02Å; G270-H291 PolarHBondContact N-NE2 2.88Å; G270-H291 PolarHBondContact O-N 3.03Å; N288-H291 HydrophobicContact CB-CB 4.09Å; N288-H291 PolarHBondContact O-N 2.79Å; H291-I317 HydrophobicContact CB-CD1 4.24Å; H291-I317 WeakPolarHBondContact O-CG1 3.46Å
292	G	96.4	Very high	97.8	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.1	12.4	174.9	0	0	0	0	0	116.6	N288 F312 L313 G314 S348	N288-G292 PolarHBondContact O-N 2.99Å; G292-F312 WeakPolarHBondContact O-CA 3.43Å; G292-L313 PolarHBondContact O-N 2.95Å; G292-G314 WeakPolarHBondContact CA-O 3.23Å; G292-S348 VanDerWaalsContact CA-OG 3.3Å; G292-S348 WeakPolarHBondContact CA-OG 3.27Å
293	D	97.2	Very high	97.8	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	150.5	-176.9	65.6	-52.9	0	0	0	114.4	N288 R295 Q310 V311 F312	N288-D293 WeakPolarHBondContact CB-O 3.45Å; N288-D293 WeakPolarHBondContact CB-OD1 3.42Å; N288-D293 PolarHBondContact N-O 3.19Å; N288-D293 PolarHBondContact ND2-OD1 3.42Å; N288-D293 PolarHBondContact ND2-OD2 2.86Å; D293-R295 VanDerWaalsContact OD2-CG 3.29Å; D293-R295 WeakPolarHBondContact OD2-CG 3.26Å; D293-R295 IonicContact OD2-CZ 3.29Å; D293-R295 IonicContact OD2-NE 3.54Å; D293-R295 PolarHBondContact OD2-NE 3.12Å; D293-R295 IonicContact OD2-NH2 3.85Å; D293-R295 PolarHBondContact OD2-NH2 3.08Å; D293-Q310 HydrophobicContact CB-CG 4.16Å; D293-Q310 PolarHBondContact OD2-NE2 2.93Å; D293-V311 CarbonylContact C-O 3.53Å; D293-V311 VanDerWaalsContact CA-O 3.23Å; D293-V311 WeakPolarHBondContact CA-O 3.18Å; D293-V311 WeakPolarHBondContact CB-O 3.3Å; D293-F312 HydrophobicContact CB-CD1 3.68Å; D293-F312 HydrophobicContact CB-CD2 4.43Å; D293-F312 HydrophobicContact CB-CE1 3.69Å; D293-F312 HydrophobicContact CB-CE2 4.45Å; D293-F312 HydrophobicContact CB-CG 4.06Å; D293-F312 HydrophobicContact CB-CZ 4.09Å
294	I	98.5	Very high	97.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	136.9	163	-58.3	173.6	0	0	0	107.4	F286 Q310 V311 L313 P349 L352 L361 V363 I389 L398	F286-I294 WeakPolarHBondContact O-CA 2.99Å; I294-Q310 VanDerWaalsContact O-CA 3.28Å; I294-Q310 WeakPolarHBondContact O-CA 3.42Å; I294-V311 HydrophobicContact CB-CG1 4.1Å; I294-V311 PolarHBondContact N-O 3.23Å; I294-V311 PolarHBondContact O-N 2.93Å; I294-L313 HydrophobicContact CD1-CD1 3.47Å; I294-L313 VanDerWaalsContact CD1-CD1 3.47Å; I294-L313 HydrophobicContact CG1-CD1 4.01Å; I294-P349 HydrophobicContact CD1-CB 4.06Å; I294-P349 HydrophobicContact CG1-CB 3.63Å; I294-P349 HydrophobicContact CG1-CG 4.04Å; I294-L352 HydrophobicContact CD1-CD2 3.66Å; I294-L352 HydrophobicContact CG1-CD2 4.05Å; I294-L352 HydrophobicContact CG2-CD1 4.24Å; I294-L352 HydrophobicContact CG2-CD2 4.49Å; I294-L361 HydrophobicContact CD1-CD2 4.28Å; I294-L361 HydrophobicContact CG2-CD2 3.89Å; I294-V363 HydrophobicContact CD1-CB 4.07Å; I294-V363 HydrophobicContact CD1-CG1 4.16Å; I294-V363 HydrophobicContact CD1-CG2 4.04Å; I294-I389 HydrophobicContact CD1-CG1 4.13Å; I294-L398 HydrophobicContact CB-CD1 4.3Å; I294-L398 HydrophobicContact CG2-CD1 3.89Å
295	R	98.4	Very high	97.8	Very high	1 Å²	1	25.6 Å²	25.6	0%	0.004	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	147.7	173.4	-56.6	-165.5	-177.7	-165	0.3	111.2	Y285 F286 N288 D293 Y297 L307 G309 Q310 E330	Y285-R295 VanDerWaalsContact CA-O 3.25Å; Y285-R295 WeakPolarHBondContact CA-O 3.1Å; F286-R295 HydrophobicContact CD1-CB 4.46Å; F286-R295 HydrophobicContact CD2-CB 4.33Å; F286-R295 HydrophobicContact CE1-CB 4.12Å; F286-R295 HydrophobicContact CE2-CB 3.94Å; F286-R295 HydrophobicContact CE2-CG 3.86Å; F286-R295 HydrophobicContact CZ-CB 3.86Å; F286-R295 HydrophobicContact CZ-CG 4.03Å; F286-R295 PolarHBondContact N-O 2.99Å; F286-R295 VanDerWaalsContact N-O 3.08Å; F286-R295 PolarHBondContact O-N 2.88Å; N288-R295 PolarHBondContact ND2-NE 3.35Å; N288-R295 VanDerWaalsContact ND2-NE 3.2Å; D293-R295 VanDerWaalsContact OD2-CG 3.29Å; D293-R295 WeakPolarHBondContact OD2-CG 3.26Å; D293-R295 IonicContact OD2-CZ 3.29Å; D293-R295 IonicContact OD2-NE 3.54Å; D293-R295 PolarHBondContact OD2-NE 3.12Å; D293-R295 IonicContact OD2-NH2 3.85Å; D293-R295 PolarHBondContact OD2-NH2 3.08Å; R295-Y297 HydrophobicContact CB-CD2 4.11Å; R295-Y297 HydrophobicContact CB-CE2 3.62Å; R295-Y297 HydrophobicContact CG-CE2 4.42Å; R295-L307 HydrophobicContact CB-CD1 3.89Å; R295-L307 HydrophobicContact CG-CD1 4.26Å; R295-G309 WeakPolarHBondContact CA-O 3.31Å; R295-Q310 HydrophobicContact CG-CG 4.25Å; R295-E330 IonicContact CZ-OE1 2.81Å; R295-E330 IonicContact CZ-OE2 3.93Å; R295-E330 IonicContact NH1-OE1 3.54Å; R295-E330 PolarHBondContact NH1-OE1 3.47Å; R295-E330 IonicContact NH1-OE2 3.28Å; R295-E330 IonicContact NH2-OE1 2.93Å; R295-E330 PolarHBondContact NH2-OE1 3.48Å; R295-E330 IonicContact NH2-OE2 3.37Å; R295-E330 PolarHBondContact NH2-OE2 3.48Å
296	Q	98.8	Very high	97.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	124.7	172.2	-179.7	-173.8	16.5	0	0	108.7	F283 L284 Y285 V308 G309 G397 L398	F283-Q296 HydrophobicContact CB-CG 4.22Å; F283-Q296 HydrophobicContact CD1-CG 3.98Å; F283-Q296 HydrophobicContact CG-CG 4.27Å; L284-Q296 CarbonylContact O-C 3.54Å; L284-Q296 WeakPolarHBondContact O-CA 3.46Å; Y285-Q296 HydrophobicContact CD1-CB 3.92Å; Y285-Q296 HydrophobicContact CD1-CG 3.92Å; Y285-Q296 HydrophobicContact CE1-CB 3.9Å; Y285-Q296 HydrophobicContact CE1-CG 3.46Å; Y285-Q296 VanDerWaalsContact CE1-CG 3.46Å; Y285-Q296 PolarHBondContact OH-NE2 3.05Å; Q296-V308 HydrophobicContact CB-CG2 4.29Å; Q296-V308 HydrophobicContact CG-CG2 3.77Å; Q296-V308 WeakPolarHBondContact O-CG2 3.28Å; Q296-V308 PolarHBondContact O-N 3.36Å; Q296-G309 PolarHBondContact N-O 2.82Å; Q296-G309 PolarHBondContact O-N 3.11Å; Q296-G397 PolarHBondContact OE1-O 3.2Å; Q296-L398 HydrophobicContact CB-CD1 3.97Å; Q296-L398 HydrophobicContact CB-CD2 4.14Å; Q296-L398 HydrophobicContact CB-CG 4.01Å
297	Y	98.8	Very high	97.8	Very high	17 Å²	17	35.7 Å²	35.7	7%	0.067	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	131.2	177.6	-75.8	-103	0	0	0	110.2	I252 F283 L284 F286 R295 I299 P305 R306 L307	I252-Y297 HydrophobicContact CD1-CD1 3.69Å; I252-Y297 HydrophobicContact CD1-CD2 3.94Å; I252-Y297 HydrophobicContact CD1-CE1 3.96Å; I252-Y297 HydrophobicContact CD1-CE2 4.19Å; I252-Y297 HydrophobicContact CD1-CG 3.69Å; I252-Y297 HydrophobicContact CG1-CD1 4.12Å; I252-Y297 HydrophobicContact CG1-CE1 4.05Å; I252-Y297 HydrophobicContact CG2-CE1 3.9Å; I252-Y297 HydrophobicContact CG2-CE2 4.19Å; I252-Y297 WeakPolarHBondContact CG2-OH 3.29Å; F283-Y297 CarbonylContact C-O 3.59Å; F283-Y297 WeakPolarHBondContact CA-O 3.39Å; L284-Y297 PolarHBondContact N-O 2.94Å; L284-Y297 PolarHBondContact O-N 2.83Å; F286-Y297 HydrophobicContact CD1-CD2 4.2Å; F286-Y297 HydrophobicContact CD1-CE2 4.16Å; F286-Y297 AromaticContact CE1-CD2 3.57Å; F286-Y297 HydrophobicContact CE1-CD2 3.57Å; F286-Y297 AromaticContact CE1-CE2 3.16Å; F286-Y297 HydrophobicContact CE1-CE2 3.16Å; F286-Y297 HydrophobicContact CZ-CD2 4.36Å; F286-Y297 AromaticContact CZ-CE2 3.53Å; F286-Y297 HydrophobicContact CZ-CE2 3.53Å; R295-Y297 HydrophobicContact CB-CD2 4.11Å; R295-Y297 HydrophobicContact CB-CE2 3.62Å; R295-Y297 HydrophobicContact CG-CE2 4.42Å; Y297-I299 PolarHBondContact O-N 3.16Å; Y297-P305 HydrophobicContact CD1-CB 3.83Å; Y297-P305 HydrophobicContact CG-CB 4.33Å; Y297-R306 CarbonylContact C-O 3.39Å; Y297-R306 VanDerWaalsContact CA-O 3.27Å; Y297-R306 WeakPolarHBondContact CA-O 3.5Å; Y297-L307 HydrophobicContact CD1-CB 4.21Å; Y297-L307 VanDerWaalsContact CD1-N 3.35Å; Y297-L307 HydrophobicContact CD2-CD1 4.14Å; Y297-L307 HydrophobicContact CE1-CB 3.78Å; Y297-L307 HydrophobicContact CE1-CD1 4.39Å; Y297-L307 HydrophobicContact CE2-CD1 3.66Å
298	D	98.8	Very high	97.8	Very high	21 Å²	21	37.2 Å²	37.2	11%	0.112	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	117.6	164.1	-178.9	-12.1	0	0	0	108.1	F283 T300 P305 R306 V308	F283-D298 HydrophobicContact CD1-CB 4.25Å; F283-D298 HydrophobicContact CE1-CB 4.02Å; D298-T300 VanDerWaalsContact OD1-CB 3.28Å; D298-T300 WeakPolarHBondContact OD1-CB 3.38Å; D298-T300 PolarHBondContact OD1-N 2.98Å; D298-T300 PolarHBondContact OD1-OG1 3.06Å; D298-P305 WeakPolarHBondContact O-CA 3.24Å; D298-R306 HydrophobicContact CB-CB 4.5Å; D298-R306 PolarHBondContact N-O 2.03Å; D298-R306 PolarHBondContact O-N 3.18Å; D298-R306 IonicContact OD2-NH2 3.95Å; D298-R306 PolarHBondContact OD2-NH2 3.01Å; D298-R306 VanDerWaalsContact OD2-NH2 3.11Å; D298-V308 HydrophobicContact CB-CG1 3.8Å; D298-V308 HydrophobicContact CB-CG2 4.37Å
299	I	98.8	Very high	97.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.182	C	C	.	.			trans	-108.9	19.6	-178.4	57.8	164.5	0	0	0	112	L217 Y226 I277 R282 L284 Y297 D301 R302 P305	L217-I299 HydrophobicContact CD2-CD1 4.16Å; Y226-I299 HydrophobicContact CE2-CD1 3.9Å; I277-I299 HydrophobicContact CG2-CD1 3.93Å; R282-I299 VanDerWaalsContact O-CG1 3.23Å; R282-I299 WeakPolarHBondContact O-CG1 3.29Å; R282-I299 PolarHBondContact O-N 3.29Å; L284-I299 HydrophobicContact CB-CD1 4.26Å; L284-I299 HydrophobicContact CB-CG2 3.6Å; Y297-I299 PolarHBondContact O-N 3.16Å; I299-D301 CarbonylContact O-C 3.58Å; I299-D301 PolarHBondContact O-N 3.03Å; I299-R302 VanDerWaalsContact CD1-NH1 3.33Å; I299-R302 WeakPolarHBondContact O-CD 3.22Å; I299-R302 PolarHBondContact O-N 3.02Å; I299-R302 PolarHBondContact O-NE 3.14Å; I299-R302 PolarHBondContact O-NH1 2.92Å; I299-P305 HydrophobicContact CG2-CB 4.02Å; I299-P305 HydrophobicContact CG2-CG 4.17Å
300	T	97.9	Very high	97.9	Very high	89 Å²	89	39.9 Å²	39.9	55%	0.546	19%	0.192	S	C	.	.	S	Bend	trans	-54.3	-41.7	176.5	-53.9	0	0	0	0	111.3	D298	D298-T300 VanDerWaalsContact OD1-CB 3.28Å; D298-T300 WeakPolarHBondContact OD1-CB 3.38Å; D298-T300 PolarHBondContact OD1-N 2.98Å; D298-T300 PolarHBondContact OD1-OG1 3.06Å
301	D	98.1	Very high	98.1	Very high	82 Å²	82	40.5 Å²	40.5	44%	0.439	20%	0.196	S	C	.	.	S	Bend	trans	-90.3	107.5	159.5	-178	-15	0	0	0	109.2	I299 R303 N304	I299-D301 CarbonylContact O-C 3.58Å; I299-D301 PolarHBondContact O-N 3.03Å; D301-R303 PolarHBondContact O-N 2.81Å; D301-R303 PolarHBondContact OD1-N 2.99Å; D301-N304 HydrophobicContact CB-CB 4.46Å; D301-N304 CarbonylContact O-C 3.56Å; D301-N304 PolarHBondContact O-N 2.59Å; D301-N304 PolarHBondContact OD1-N 2.95Å; D301-N304 PolarHBondContact OD1-ND2 3.35Å; D301-N304 PolarHBondContact OD2-ND2 3.01Å
302	R	97.8	Very high	98.2	Very high	54 Å²	54	42.9 Å²	42.9	20%	0.204	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-30.6	-171.6	-50.2	-63.7	150.4	176.7	-5.5	113.5	E224 Y226 R237 D281 I299	E224-R302 WeakPolarHBondContact OE2-CB 3.3Å; E224-R302 VanDerWaalsContact OE2-CG 3.24Å; E224-R302 WeakPolarHBondContact OE2-CG 2.94Å; Y226-R302 WeakPolarHBondContact OH-CA 3.4Å; Y226-R302 WeakPolarHBondContact OH-CB 3.46Å; Y226-R302 PolarHBondContact OH-O 2.63Å; R237-R302 WeakPolarHBondContact CD-O 3.28Å; D281-R302 PolarHBondContact O-NH1 3.25Å; D281-R302 PolarHBondContact O-NH2 2.74Å; I299-R302 VanDerWaalsContact CD1-NH1 3.33Å; I299-R302 WeakPolarHBondContact O-CD 3.22Å; I299-R302 PolarHBondContact O-N 3.02Å; I299-R302 PolarHBondContact O-NE 3.14Å; I299-R302 PolarHBondContact O-NH1 2.92Å
303	R	97.9	Very high	98.2	Very high	138 Å²	138	42.9 Å²	42.9	52%	0.521	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-19.6	-176.1	-60.1	-173.7	72.1	-152.3	-3.3	112.1	E249 D301 P305	E249-R303 WeakPolarHBondContact OE1-CG 3.34Å; E249-R303 IonicContact OE1-CZ 2.68Å; E249-R303 IonicContact OE1-NE 3.48Å; E249-R303 PolarHBondContact OE1-NE 2.89Å; E249-R303 IonicContact OE1-NH2 3.31Å; E249-R303 IonicContact OE2-CZ 3.77Å; E249-R303 IonicContact OE2-NE 2.88Å; E249-R303 PolarHBondContact OE2-NE 2.84Å; E249-R303 IonicContact OE2-NH2 3.78Å; E249-R303 PolarHBondContact OE2-NH2 3.45Å; D301-R303 PolarHBondContact O-N 2.81Å; D301-R303 PolarHBondContact OD1-N 2.99Å; R303-P305 VanDerWaalsContact C-CD 3.46Å
304	N	98.4	Very high	98	Very high	110 Å²	110	43 Å²	43	59%	0.588	21%	0.208	S	C	*	.	S	Bend	trans	-127.9	65.9	-179.3	-53.7	-76.2	0	0	0	111.9	D301 R306	D301-N304 HydrophobicContact CB-CB 4.46Å; D301-N304 CarbonylContact O-C 3.56Å; D301-N304 PolarHBondContact O-N 2.59Å; D301-N304 PolarHBondContact OD1-N 2.95Å; D301-N304 PolarHBondContact OD1-ND2 3.35Å; D301-N304 PolarHBondContact OD2-ND2 3.01Å; N304-R306 PolarHBondContact O-N 3.3Å
305	P	98.6	Very high	97.9	Very high	18 Å²	18	43.2 Å²	43.2	12%	0.117	21%	0.21	C	C	.	.			trans	-54.8	136.4	175.3	-25.8	36	0	0	0	112.2	Y226 V251 I252 Y297 D298 I299 R303	Y226-P305 HydrophobicContact CE1-CG 4.49Å; V251-P305 HydrophobicContact CB-CG 3.97Å; V251-P305 HydrophobicContact CG2-CG 4.06Å; I252-P305 HydrophobicContact CD1-CB 3.75Å; I252-P305 HydrophobicContact CD1-CG 4.1Å; I252-P305 HydrophobicContact CG1-CB 3.78Å; I252-P305 HydrophobicContact CG1-CG 3.94Å; Y297-P305 HydrophobicContact CD1-CB 3.83Å; Y297-P305 HydrophobicContact CG-CB 4.33Å; D298-P305 WeakPolarHBondContact O-CA 3.24Å; I299-P305 HydrophobicContact CG2-CB 4.02Å; I299-P305 HydrophobicContact CG2-CG 4.17Å; R303-P305 VanDerWaalsContact C-CD 3.46Å
306	R	98.6	Very high	97.7	Very high	146 Å²	146	43.7 Å²	43.7	55%	0.551	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116	123.3	-177.7	-176.9	178.5	63.7	103	4.4	111.1	Y297 D298 N304 V308	Y297-R306 CarbonylContact C-O 3.39Å; Y297-R306 VanDerWaalsContact CA-O 3.27Å; Y297-R306 WeakPolarHBondContact CA-O 3.5Å; D298-R306 HydrophobicContact CB-CB 4.5Å; D298-R306 PolarHBondContact N-O 2.03Å; D298-R306 PolarHBondContact O-N 3.18Å; D298-R306 IonicContact OD2-NH2 3.95Å; D298-R306 PolarHBondContact OD2-NH2 3.01Å; D298-R306 VanDerWaalsContact OD2-NH2 3.11Å; N304-R306 PolarHBondContact O-N 3.3Å; R306-V308 PolarHBondContact O-N 2.91Å
307	L	98.4	Very high	97.6	Very high	67 Å²	67	43.8 Å²	43.8	35%	0.351	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	123.4	175.3	-177	66.9	0	0	0	110.3	R295 Y297 G309	R295-L307 HydrophobicContact CB-CD1 3.89Å; R295-L307 HydrophobicContact CG-CD1 4.26Å; Y297-L307 HydrophobicContact CD1-CB 4.21Å; Y297-L307 VanDerWaalsContact CD1-N 3.35Å; Y297-L307 HydrophobicContact CD2-CD1 4.14Å; Y297-L307 HydrophobicContact CE1-CB 3.78Å; Y297-L307 HydrophobicContact CE1-CD1 4.39Å; Y297-L307 HydrophobicContact CE2-CD1 3.66Å; L307-G309 WeakPolarHBondContact CD1-O 3.06Å
308	V	98.6	Very high	97.4	Very high	31 Å²	31	44.2 Å²	44.2	19%	0.188	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	-11.6	-179.3	-67.5	0	0	0	0	113.7	F283 Q296 D298 R306	F283-V308 HydrophobicContact CD1-CG2 4.02Å; F283-V308 HydrophobicContact CE1-CG2 3.84Å; Q296-V308 HydrophobicContact CB-CG2 4.29Å; Q296-V308 HydrophobicContact CG-CG2 3.77Å; Q296-V308 WeakPolarHBondContact O-CG2 3.28Å; Q296-V308 PolarHBondContact O-N 3.36Å; D298-V308 HydrophobicContact CB-CG1 3.8Å; D298-V308 HydrophobicContact CB-CG2 4.37Å; R306-V308 PolarHBondContact O-N 2.91Å
309	G	98.1	Very high	97.2	Very high	9 Å²	9	49.8 Å²	49.8	9%	0.093	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	146.1	176.4	0	0	0	0	0	111.8	R295 Q296 L307	R295-G309 WeakPolarHBondContact CA-O 3.31Å; Q296-G309 PolarHBondContact N-O 2.82Å; Q296-G309 PolarHBondContact O-N 3.11Å; L307-G309 WeakPolarHBondContact CD1-O 3.06Å
310	Q	97.9	Very high	96.9	Very high	48 Å²	48	54.1 Å²	54.1	22%	0.224	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	139.7	176	-173.9	-178	16.6	0	0	109.3	D293 I294 R295 F312	D293-Q310 HydrophobicContact CB-CG 4.16Å; D293-Q310 PolarHBondContact OD2-NE2 2.93Å; I294-Q310 VanDerWaalsContact O-CA 3.28Å; I294-Q310 WeakPolarHBondContact O-CA 3.42Å; R295-Q310 HydrophobicContact CG-CG 4.25Å; Q310-F312 HydrophobicContact CG-CE2 4.44Å
311	V	98	Very high	96.7	Very high	19 Å²	19	51 Å²	51	12%	0.115	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	130.6	174.1	63.4	0	0	0	0	110.4	D293 I294 L313 I389 L398 L400	D293-V311 CarbonylContact C-O 3.53Å; D293-V311 VanDerWaalsContact CA-O 3.23Å; D293-V311 WeakPolarHBondContact CA-O 3.18Å; D293-V311 WeakPolarHBondContact CB-O 3.3Å; I294-V311 HydrophobicContact CB-CG1 4.1Å; I294-V311 PolarHBondContact N-O 3.23Å; I294-V311 PolarHBondContact O-N 2.93Å; V311-L313 HydrophobicContact CG1-CD1 4.23Å; V311-L313 HydrophobicContact CG1-CD2 4.5Å; V311-L313 HydrophobicContact CG1-CG 4.26Å; V311-L313 HydrophobicContact CG2-CD2 3.89Å; V311-L313 HydrophobicContact CG2-CG 4.32Å; V311-I389 HydrophobicContact CG1-CD1 4.23Å; V311-I389 HydrophobicContact CG1-CG1 4.47Å; V311-I389 HydrophobicContact CG1-CG2 4.26Å; V311-L398 HydrophobicContact CB-CB 4.21Å; V311-L398 HydrophobicContact CG1-CB 4.02Å; V311-L398 HydrophobicContact CG1-CD1 4.12Å; V311-L400 HydrophobicContact CG2-CB 4.28Å
312	F	97.4	Very high	96.5	Very high	49 Å²	49	52.7 Å²	52.7	22%	0.215	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	132.3	174.3	-73.8	-87.5	0	0	0	110.6	G292 D293 Q310 I317 P335	G292-F312 WeakPolarHBondContact O-CA 3.43Å; D293-F312 HydrophobicContact CB-CD1 3.68Å; D293-F312 HydrophobicContact CB-CD2 4.43Å; D293-F312 HydrophobicContact CB-CE1 3.69Å; D293-F312 HydrophobicContact CB-CE2 4.45Å; D293-F312 HydrophobicContact CB-CG 4.06Å; D293-F312 HydrophobicContact CB-CZ 4.09Å; Q310-F312 HydrophobicContact CG-CE2 4.44Å; F312-I317 HydrophobicContact CE1-CD1 4.17Å; F312-P335 HydrophobicContact CB-CB 3.74Å; F312-P335 HydrophobicContact CB-CG 4.45Å; F312-P335 HydrophobicContact CD1-CB 3.75Å; F312-P335 HydrophobicContact CD1-CG 3.61Å; F312-P335 HydrophobicContact CD2-CB 4.14Å; F312-P335 HydrophobicContact CE1-CB 4.4Å; F312-P335 HydrophobicContact CE1-CG 3.99Å; F312-P335 HydrophobicContact CG-CB 3.61Å; F312-P335 HydrophobicContact CG-CG 4.03Å
313	L	96.5	Very high	96.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.253	C	S	.	.			trans	-132.1	11.4	-172.1	-59.8	174.7	0	0	0	113.4	G292 I294 V311 V345 P349 V363 M387 I389 L400	G292-L313 PolarHBondContact O-N 2.95Å; I294-L313 HydrophobicContact CD1-CD1 3.47Å; I294-L313 VanDerWaalsContact CD1-CD1 3.47Å; I294-L313 HydrophobicContact CG1-CD1 4.01Å; V311-L313 HydrophobicContact CG1-CD1 4.23Å; V311-L313 HydrophobicContact CG1-CD2 4.5Å; V311-L313 HydrophobicContact CG1-CG 4.26Å; V311-L313 HydrophobicContact CG2-CD2 3.89Å; V311-L313 HydrophobicContact CG2-CG 4.32Å; L313-V345 WeakPolarHBondContact O-CG1 3.34Å; L313-P349 HydrophobicContact CB-CG 4.28Å; L313-P349 HydrophobicContact CD1-CB 4.25Å; L313-V363 HydrophobicContact CD1-CG1 4.06Å; L313-M387 HydrophobicContact CB-CE 3.96Å; L313-M387 HydrophobicContact CB-SD 4.44Å; L313-M387 HydrophobicContact CD1-CE 4.07Å; L313-M387 HydrophobicContact CD2-SD 4.35Å; L313-M387 HydrophobicContact CG-CE 4.48Å; L313-I389 HydrophobicContact CD1-CD1 3.72Å; L313-I389 HydrophobicContact CD1-CG1 4.33Å; L313-I389 HydrophobicContact CD2-CD1 3.94Å; L313-I389 HydrophobicContact CG-CD1 4.45Å; L313-L400 HydrophobicContact CD2-CB 4.27Å; L313-L400 HydrophobicContact CD2-CD1 3.81Å; L313-L400 HydrophobicContact CD2-CD2 3.93Å; L313-L400 HydrophobicContact CD2-CG 4.21Å
314	G	94.5	Very high	96.3	Very high	4 Å²	4	49.3 Å²	49.3	4%	0.041	25%	0.253	C	S	.	.			trans	146.3	-134.5	-176.7	0	0	0	0	0	110.4	G292 I318	G292-G314 WeakPolarHBondContact CA-O 3.23Å; G314-I318 VanDerWaalsContact O-CG2 3.3Å; G314-I318 WeakPolarHBondContact O-CG2 3.48Å
315	G	95.4	Very high	96.2	Very high	4 Å²	4	45.4 Å²	45.4	4%	0.041	23%	0.233	C	C	.	.			trans	84.5	179.4	175.1	0	0	0	0	0	114.4	I317 G347	G315-I317 VanDerWaalsContact C-N 3.32Å; G315-I317 PolarHBondContact O-N 3.47Å; G315-G347 PolarHBondContact N-O 3.23Å
316	S	95.3	Very high	96.1	Very high	12 Å²	12	49.6 Å²	49.6	8%	0.084	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-16.8	-170.2	-60.7	0	0	0	0	113.5	L290 V323 Y376	L290-S316 WeakPolarHBondContact O-CB 3.41Å; L290-S316 PolarHBondContact O-N 3.38Å; S316-V323 VanDerWaalsContact O-CB 3.26Å; S316-V323 WeakPolarHBondContact O-CB 3.16Å; S316-V323 WeakPolarHBondContact O-CG2 3.29Å; S316-Y376 PolarHBondContact N-OH 3.5Å; S316-Y376 PolarHBondContact OG-OH 2.96Å
317	I	95.3	Very high	96	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	21.8	-175.2	62.5	169.3	0	0	0	113.8	K257 M267 H291 F312 G315 V323 V325 Q334 P335	K257-I317 HydrophobicContact CD-CD1 4.1Å; M267-I317 HydrophobicContact CE-CG2 4.14Å; M267-I317 HydrophobicContact SD-CG2 3.55Å; M267-I317 VanDerWaalsContact SD-CG2 3.55Å; H291-I317 HydrophobicContact CB-CD1 4.24Å; H291-I317 WeakPolarHBondContact O-CG1 3.46Å; F312-I317 HydrophobicContact CE1-CD1 4.17Å; G315-I317 VanDerWaalsContact C-N 3.32Å; G315-I317 PolarHBondContact O-N 3.47Å; I317-V323 HydrophobicContact CG2-CG1 4.43Å; I317-V325 HydrophobicContact CB-CG2 3.84Å; I317-V325 HydrophobicContact CG2-CG2 3.91Å; I317-Q334 WeakPolarHBondContact O-CG 3.41Å; I317-Q334 PolarHBondContact O-NE2 2.83Å; I317-P335 HydrophobicContact CD1-CG 4.42Å; I317-P335 HydrophobicContact CG1-CG 4.09Å; I317-P335 WeakPolarHBondContact O-CD 3.15Å
318	I	95.1	Very high	95.9	Very high	26 Å²	26	45 Å²	45	13%	0.133	24%	0.237	C	C	.	.			trans	-63.6	140.6	173.9	60.3	-173.1	0	0	0	112	G314 D320 G321 Q334 P335 R344	G314-I318 VanDerWaalsContact O-CG2 3.3Å; G314-I318 WeakPolarHBondContact O-CG2 3.48Å; I318-D320 VanDerWaalsContact C-N 3.29Å; I318-D320 PolarHBondContact O-N 3.37Å; I318-G321 PolarHBondContact O-N 2.89Å; I318-Q334 PolarHBondContact O-NE2 2.8Å; I318-P335 WeakPolarHBondContact CA-O 3.48Å; I318-R344 VanDerWaalsContact CD1-NH2 3.27Å
319	R	94.9	Very high	95.8	Very high	138 Å²	138	46.8 Å²	46.8	52%	0.521	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-28.6	-169.2	-171.2	-176.1	-60.6	-166	-4.2	115	E333 Q334 P335	R319-E333 IonicContact CZ-OE2 2.73Å; R319-E333 IonicContact NH2-OE2 3.71Å; R319-E333 PolarHBondContact NH2-OE2 2.89Å; R319-Q334 HydrophobicContact CB-CB 4.47Å; R319-Q334 HydrophobicContact CB-CG 4.25Å; R319-Q334 PolarHBondContact NE-O 2.78Å; R319-Q334 PolarHBondContact NH2-O 2.93Å; R319-P335 WeakPolarHBondContact CB-O 3.46Å; R319-P335 PolarHBondContact N-O 3.48Å
320	D	93.3	Very high	95.6	Very high	91 Å²	91	49 Å²	49	49%	0.487	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	12.9	177.2	67	-18.9	0	0	0	112.7	I318 R344	I318-D320 VanDerWaalsContact C-N 3.29Å; I318-D320 PolarHBondContact O-N 3.37Å; D320-R344 VanDerWaalsContact CG-NH2 3.27Å; D320-R344 IonicContact OD1-CZ 3.45Å; D320-R344 IonicContact OD1-NH1 3.74Å; D320-R344 IonicContact OD1-NH2 3.66Å; D320-R344 PolarHBondContact OD1-NH2 2.68Å; D320-R344 IonicContact OD2-CZ 2.74Å; D320-R344 IonicContact OD2-NH1 2.93Å; D320-R344 PolarHBondContact OD2-NH1 2.9Å; D320-R344 IonicContact OD2-NH2 3.95Å; D320-R344 PolarHBondContact OD2-NH2 3.1Å
321	G	92.8	Very high	95.5	Very high	25 Å²	25	55.9 Å²	55.9	26%	0.258	29%	0.286	S	S	.	.	S	Bend	trans	-86.3	-178.4	174.2	0	0	0	0	0	113.2	I318 V323	I318-G321 PolarHBondContact O-N 2.89Å; G321-V323 VanDerWaalsContact C-N 3.27Å; G321-V323 PolarHBondContact O-N 2.89Å
322	P	92.8	Very high	95.2	Very high	116 Å²	116	57.7 Å²	57.7	75%	0.753	29%	0.294	S	S	*	.	S	Bend	trans	-73.9	-17.7	-178.5	30	-35	0	0	0	113.6
323	V	95.7	Very high	95	Very high	5 Å²	5	62.6 Å²	62.6	3%	0.03	32%	0.317	C	S	.	.			trans	-97.3	130	-177.6	-177.4	0	0	0	0	110.1	V259 E260 W262 M267 S316 I317 G321 Q334	V259-V323 HydrophobicContact CB-CG1 3.7Å; V259-V323 HydrophobicContact CG1-CG1 3.75Å; V259-V323 HydrophobicContact CG2-CG1 4.34Å; E260-V323 CarbonylContact O-C 3.53Å; E260-V323 WeakPolarHBondContact O-CA 3.27Å; W262-V323 HydrophobicContact CB-CG1 4.5Å; W262-V323 HydrophobicContact CB-CG2 4.38Å; W262-V323 HydrophobicContact CE3-CG2 4.02Å; M267-V323 HydrophobicContact CE-CG1 3.91Å; M267-V323 HydrophobicContact CE-CG2 4.13Å; S316-V323 VanDerWaalsContact O-CB 3.26Å; S316-V323 WeakPolarHBondContact O-CB 3.16Å; S316-V323 WeakPolarHBondContact O-CG2 3.29Å; I317-V323 HydrophobicContact CG2-CG1 4.43Å; G321-V323 VanDerWaalsContact C-N 3.27Å; G321-V323 PolarHBondContact O-N 2.89Å; V323-Q334 PolarHBondContact O-NE2 2.8Å
324	K	96.5	Very high	95	Very high	117 Å²	117	64.1 Å²	64.1	51%	0.509	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	125.5	173	-179.5	-177.9	175.5	-171.4	0	109.7	V259 E260 L326	V259-K324 CarbonylContact C-O 3.58Å; V259-K324 VanDerWaalsContact CA-O 3.22Å; V259-K324 WeakPolarHBondContact CA-O 3.41Å; E260-K324 HydrophobicContact CB-CB 4.38Å; E260-K324 PolarHBondContact N-O 2.73Å; E260-K324 PolarHBondContact O-N 3.09Å; K324-L326 HydrophobicContact CD-CD2 4.12Å; K324-L326 HydrophobicContact CG-CD2 4.21Å
325	V	96.9	Very high	95.1	Very high	28 Å²	28	64.5 Å²	64.5	17%	0.17	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	119.6	175.1	-177.9	0	0	0	0	109.2	K257 V259 I317 D328 Q334	K257-V325 HydrophobicContact CB-CG1 4.42Å; K257-V325 HydrophobicContact CD-CG1 4.39Å; V259-V325 HydrophobicContact CG1-CG2 4.32Å; I317-V325 HydrophobicContact CB-CG2 3.84Å; I317-V325 HydrophobicContact CG2-CG2 3.91Å; V325-D328 HydrophobicContact CG1-CB 4.12Å; V325-Q334 HydrophobicContact CB-CG 4.47Å; V325-Q334 HydrophobicContact CG2-CG 4.04Å
326	L	96.8	Very high	95.2	Very high	105 Å²	105	67.5 Å²	67.5	55%	0.55	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	-38.4	179.6	-57.1	-179.2	0	0	0	111.6	K258 E260 K324	K258-L326 HydrophobicContact CB-CB 4.36Å; K258-L326 PolarHBondContact O-N 3.48Å; E260-L326 HydrophobicContact CB-CD1 4.26Å; E260-L326 HydrophobicContact CB-CD2 4.39Å; E260-L326 HydrophobicContact CB-CG 4.42Å; K324-L326 HydrophobicContact CD-CD2 4.12Å; K324-L326 HydrophobicContact CG-CD2 4.21Å
327	E	96.7	Very high	95.2	Very high	95 Å²	95	68.7 Å²	68.7	44%	0.444	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	126.3	177.1	-170	-178.5	159	0	0	109.6	K258	K258-E327 HydrophobicContact CB-CB 3.91Å; K258-E327 HydrophobicContact CD-CB 4.07Å; K258-E327 VanDerWaalsContact CD-OE2 3.29Å; K258-E327 WeakPolarHBondContact CD-OE2 3.49Å; K258-E327 VanDerWaalsContact CE-OE2 3.25Å; K258-E327 WeakPolarHBondContact CE-OE2 3.49Å; K258-E327 HydrophobicContact CG-CB 4.15Å; K258-E327 PolarHBondContact N-O 2.94Å; K258-E327 IonicContact NZ-OE2 2.78Å; K258-E327 PolarHBondContact NZ-OE2 3.16Å; K258-E327 PolarHBondContact O-N 2.78Å
328	D	95.7	Very high	95.3	Very high	21 Å²	21	69.2 Å²	69.2	11%	0.112	36%	0.362	C	S	.	.			trans	-116.6	112.2	171.8	-174.1	-7.6	0	0	0	108.9	K257 V325 E330 K331 Q332	K257-D328 HydrophobicContact CD-CB 4.42Å; K257-D328 WeakPolarHBondContact CE-OD1 3.4Å; K257-D328 IonicContact NZ-OD1 2.74Å; K257-D328 PolarHBondContact NZ-OD1 2.84Å; K257-D328 IonicContact NZ-OD2 3.38Å; K257-D328 PolarHBondContact NZ-OD2 2.87Å; V325-D328 HydrophobicContact CG1-CB 4.12Å; D328-E330 PolarHBondContact O-N 3.46Å; D328-E330 VanDerWaalsContact O-N 3.17Å; D328-E330 WeakPolarHBondContact OD1-CB 3.27Å; D328-E330 PolarHBondContact OD1-N 2.62Å; D328-K331 WeakPolarHBondContact O-CA 3.21Å; D328-K331 PolarHBondContact O-N 3.03Å; D328-Q332 WeakPolarHBondContact OD2-CB 3.49Å; D328-Q332 PolarHBondContact OD2-N 3.2Å
329	P	95.9	Very high	95.3	Very high	70 Å²	70	71.9 Å²	71.9	46%	0.455	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.1	176.9	-27.5	38.3	0	0	0	113.6	P255 S256 K331	P255-P329 HydrophobicContact CB-CB 3.92Å; P255-P329 HydrophobicContact CB-CG 3.96Å; P255-P329 HydrophobicContact CG-CB 3.94Å; P255-P329 HydrophobicContact CG-CG 4.3Å; S256-P329 WeakPolarHBondContact O-CD 3.27Å; S256-P329 WeakPolarHBondContact O-CG 3.41Å; P329-K331 PolarHBondContact O-N 2.9Å
330	E	94.4	Very high	95.4	Very high	55 Å²	55	65.3 Å²	65.3	26%	0.257	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-3	176	-55.7	-175.5	104.9	0	0	112.5	P255 R295 D328 Q332	P255-E330 HydrophobicContact CG-CG 3.49Å; P255-E330 VanDerWaalsContact CG-CG 3.49Å; R295-E330 IonicContact CZ-OE1 2.81Å; R295-E330 IonicContact CZ-OE2 3.93Å; R295-E330 IonicContact NH1-OE1 3.54Å; R295-E330 PolarHBondContact NH1-OE1 3.47Å; R295-E330 IonicContact NH1-OE2 3.28Å; R295-E330 IonicContact NH2-OE1 2.93Å; R295-E330 PolarHBondContact NH2-OE1 3.48Å; R295-E330 IonicContact NH2-OE2 3.37Å; R295-E330 PolarHBondContact NH2-OE2 3.48Å; D328-E330 PolarHBondContact O-N 3.46Å; D328-E330 VanDerWaalsContact O-N 3.17Å; D328-E330 WeakPolarHBondContact OD1-CB 3.27Å; D328-E330 PolarHBondContact OD1-N 2.62Å; E330-Q332 HydrophobicContact CB-CG 3.84Å; E330-Q332 PolarHBondContact O-N 2.62Å
331	K	94.9	Very high	95.4	Very high	192 Å²	192	67.7 Å²	67.7	84%	0.835	36%	0.356	S	S	*	.			trans	55.4	32.6	178.2	-56.6	177.9	-177.8	175.6	0	113.3	D328 P329	D328-K331 WeakPolarHBondContact O-CA 3.21Å; D328-K331 PolarHBondContact O-N 3.03Å; P329-K331 PolarHBondContact O-N 2.9Å
332	Q	92.4	Very high	95.4	Very high	58 Å²	58	70 Å²	70	27%	0.271	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-86.5	148.3	179.1	-52.6	-173.3	-32.7	0	0	109.9	D328 E330	D328-Q332 WeakPolarHBondContact OD2-CB 3.49Å; D328-Q332 PolarHBondContact OD2-N 3.2Å; E330-Q332 HydrophobicContact CB-CG 3.84Å; E330-Q332 PolarHBondContact O-N 2.62Å
333	E	94.3	Very high	95.5	Very high	151 Å²	151	66.1 Å²	66.1	71%	0.706	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-68	145.4	167.9	-70.7	-169.4	-169.6	0	0	110.4	R319	R319-E333 IonicContact CZ-OE2 2.73Å; R319-E333 IonicContact NH2-OE2 3.71Å; R319-E333 PolarHBondContact NH2-OE2 2.89Å
334	Q	95.9	Very high	95.5	Very high	33 Å²	33	70.3 Å²	70.3	15%	0.154	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-59.1	124.7	172.7	-165.4	172	-1.7	0	0	109.9	I317 I318 R319 V323 V325	I317-Q334 WeakPolarHBondContact O-CG 3.41Å; I317-Q334 PolarHBondContact O-NE2 2.83Å; I318-Q334 PolarHBondContact O-NE2 2.8Å; R319-Q334 HydrophobicContact CB-CB 4.47Å; R319-Q334 HydrophobicContact CB-CG 4.25Å; R319-Q334 PolarHBondContact NE-O 2.78Å; R319-Q334 PolarHBondContact NH2-O 2.93Å; V323-Q334 PolarHBondContact O-NE2 2.8Å; V325-Q334 HydrophobicContact CB-CG 4.47Å; V325-Q334 HydrophobicContact CG2-CG 4.04Å
335	P	96.4	Very high	95.4	Very high	12 Å²	12	65.2 Å²	65.2	8%	0.078	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-67.4	146.1	-168.3	25.7	-36.3	0	0	0	112.8	F312 I317 I318 R319	F312-P335 HydrophobicContact CB-CB 3.74Å; F312-P335 HydrophobicContact CB-CG 4.45Å; F312-P335 HydrophobicContact CD1-CB 3.75Å; F312-P335 HydrophobicContact CD1-CG 3.61Å; F312-P335 HydrophobicContact CD2-CB 4.14Å; F312-P335 HydrophobicContact CE1-CB 4.4Å; F312-P335 HydrophobicContact CE1-CG 3.99Å; F312-P335 HydrophobicContact CG-CB 3.61Å; F312-P335 HydrophobicContact CG-CG 4.03Å; I317-P335 HydrophobicContact CD1-CG 4.42Å; I317-P335 HydrophobicContact CG1-CG 4.09Å; I317-P335 WeakPolarHBondContact O-CD 3.15Å; I318-P335 WeakPolarHBondContact CA-O 3.48Å; R319-P335 WeakPolarHBondContact CB-O 3.46Å; R319-P335 PolarHBondContact N-O 3.48Å
336	A	96.4	Very high	95.2	Very high	67 Å²	67	64.3 Å²	64.3	55%	0.554	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-72.2	154.5	171	0	0	0	0	0	110.9
337	P	95.9	Very high	95.2	Very high	37 Å²	37	59.8 Å²	59.8	24%	0.24	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-59.9	139.8	174.2	26.9	-36.8	0	0	0	111.7	I339 R344	P337-I339 PolarHBondContact O-N 3.43Å; P337-R344 VanDerWaalsContact CB-NH1 3.32Å
338	C	96.7	Very high	95.2	Very high	12 Å²	12	55.3 Å²	55.3	8%	0.081	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-79.3	119.8	175.7	-175.1	0	0	0	0	110	R344 V345 L400	C338-R344 WeakPolarHBondContact O-CA 3.35Å; C338-V345 HydrophobicContact CB-CB 4.1Å; C338-V345 HydrophobicContact CB-CG2 4.18Å; C338-V345 PolarHBondContact O-N 3.4Å; C338-L400 VanDerWaalsContact SG-CD2 3.59Å
339	I	96.6	Very high	95.3	Very high	81 Å²	81	54.3 Å²	54.3	42%	0.415	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	124	176.8	-57.8	173.3	0	0	0	108.7	P337 K343 R402	P337-I339 PolarHBondContact O-N 3.43Å; I339-K343 CarbonylContact C-O 3.56Å; I339-K343 WeakPolarHBondContact CA-O 3.41Å; I339-R402 PolarHBondContact O-NH1 3.29Å
340	I	96.3	Very high	95.3	Very high	1 Å²	1	51 Å²	51	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	125.2	179.7	-54.2	169.4	0	0	0	107.8	G342 K343 V345 M387 L400 R402 L405	I340-G342 PolarHBondContact O-N 2.78Å; I340-G342 VanDerWaalsContact O-N 3.08Å; I340-K343 PolarHBondContact N-O 2.84Å; I340-K343 PolarHBondContact O-N 2.73Å; I340-V345 HydrophobicContact CD1-CG2 3.95Å; I340-V345 HydrophobicContact CG1-CG2 4.31Å; I340-M387 HydrophobicContact CD1-CB 4.42Å; I340-M387 HydrophobicContact CD1-CG 3.72Å; I340-M387 HydrophobicContact CD1-SD 3.63Å; I340-L400 HydrophobicContact CD1-CD1 3.81Å; I340-L400 HydrophobicContact CD1-CD2 3.95Å; I340-L400 HydrophobicContact CD1-CG 4.31Å; I340-L400 HydrophobicContact CG1-CD2 3.99Å; I340-R402 WeakPolarHBondContact CG2-O 3.33Å; I340-L405 HydrophobicContact CB-CD1 4.44Å; I340-L405 HydrophobicContact CB-CD2 4.26Å; I340-L405 HydrophobicContact CD1-CD1 4.26Å; I340-L405 HydrophobicContact CG2-CB 3.83Å; I340-L405 HydrophobicContact CG2-CD2 4.37Å; I340-L405 HydrophobicContact CG2-CG 4.48Å
341	K	93	Very high	95.5	Very high	140 Å²	140	48.5 Å²	48.5	61%	0.609	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	38.2	179.2	-60.6	176.2	69.2	179.9	0	113.8	K343 L405	K341-K343 VanDerWaalsContact C-N 3.26Å; K341-K343 PolarHBondContact O-N 2.93Å; K341-L405 HydrophobicContact CD-CB 4.32Å
342	G	93.7	Very high	95.7	Very high	75 Å²	75	39.4 Å²	39.4	77%	0.773	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.4	-9.3	-179.9	0	0	0	0	0	115.4	I340	I340-G342 PolarHBondContact O-N 2.78Å; I340-G342 VanDerWaalsContact O-N 3.08Å
343	K	94	Very high	95.9	Very high	34 Å²	34	36.7 Å²	36.7	15%	0.148	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	128.5	172.7	176.5	152.9	-178.7	146.9	0	110.3	I339 I340 K341 E382 V385 L405 D407	I339-K343 CarbonylContact C-O 3.56Å; I339-K343 WeakPolarHBondContact CA-O 3.41Å; I340-K343 PolarHBondContact N-O 2.84Å; I340-K343 PolarHBondContact O-N 2.73Å; K341-K343 VanDerWaalsContact C-N 3.26Å; K341-K343 PolarHBondContact O-N 2.93Å; K343-E382 PolarHBondContact NZ-O 3.02Å; K343-E382 VanDerWaalsContact NZ-O 3.1Å; K343-V385 HydrophobicContact CD-CG1 4.42Å; K343-L405 HydrophobicContact CB-CD2 3.92Å; K343-L405 HydrophobicContact CD-CD2 4.47Å; K343-L405 HydrophobicContact CG-CD2 4.42Å; K343-D407 HydrophobicContact CD-CB 4.22Å; K343-D407 VanDerWaalsContact CD-CG 3.44Å; K343-D407 WeakPolarHBondContact CD-OD2 3.36Å; K343-D407 WeakPolarHBondContact CE-OD1 3.46Å; K343-D407 WeakPolarHBondContact CE-OD2 3.48Å; K343-D407 IonicContact NZ-OD1 4Å; K343-D407 PolarHBondContact NZ-OD1 2.82Å; K343-D407 IonicContact NZ-OD2 3.56Å; K343-D407 PolarHBondContact NZ-OD2 2.82Å
344	R	95.3	Very high	96.1	Very high	93 Å²	93	29.5 Å²	29.5	35%	0.351	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	129.6	163.9	-175.3	-178.5	-176.7	104.3	-2	107.9	I318 D320 P337 C338 P346	I318-R344 VanDerWaalsContact CD1-NH2 3.27Å; D320-R344 VanDerWaalsContact CG-NH2 3.27Å; D320-R344 IonicContact OD1-CZ 3.45Å; D320-R344 IonicContact OD1-NH1 3.74Å; D320-R344 IonicContact OD1-NH2 3.66Å; D320-R344 PolarHBondContact OD1-NH2 2.68Å; D320-R344 IonicContact OD2-CZ 2.74Å; D320-R344 IonicContact OD2-NH1 2.93Å; D320-R344 PolarHBondContact OD2-NH1 2.9Å; D320-R344 IonicContact OD2-NH2 3.95Å; D320-R344 PolarHBondContact OD2-NH2 3.1Å; P337-R344 VanDerWaalsContact CB-NH1 3.32Å; C338-R344 WeakPolarHBondContact O-CA 3.35Å; R344-P346 VanDerWaalsContact O-CD 3.28Å; R344-P346 WeakPolarHBondContact O-CD 3.47Å
345	V	95.4	Very high	96	Very high	9 Å²	9	28.2 Å²	28.2	6%	0.055	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-75.2	118.1	178.4	173.3	0	0	0	0	108.8	L313 C338 I340 T365 V385 M387	L313-V345 WeakPolarHBondContact O-CG1 3.34Å; C338-V345 HydrophobicContact CB-CB 4.1Å; C338-V345 HydrophobicContact CB-CG2 4.18Å; C338-V345 PolarHBondContact O-N 3.4Å; I340-V345 HydrophobicContact CD1-CG2 3.95Å; I340-V345 HydrophobicContact CG1-CG2 4.31Å; V345-T365 HydrophobicContact CG1-CG2 4.37Å; V345-V385 HydrophobicContact CG1-CG2 3.72Å; V345-V385 HydrophobicContact CG2-CG2 4.39Å; V345-M387 HydrophobicContact CB-SD 4.48Å; V345-M387 HydrophobicContact CG1-CE 4Å; V345-M387 HydrophobicContact CG1-SD 3.97Å; V345-M387 HydrophobicContact CG2-SD 3.77Å
346	P	93.7	Very high	95.8	Very high	10 Å²	10	31.8 Å²	31.8	7%	0.065	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-81.4	157.3	172.4	34.9	-33.9	0	0	0	110.5	R344 M379 E382 G383	R344-P346 VanDerWaalsContact O-CD 3.28Å; R344-P346 WeakPolarHBondContact O-CD 3.47Å; P346-M379 HydrophobicContact CB-CB 4.06Å; P346-M379 HydrophobicContact CB-CG 4.43Å; P346-M379 HydrophobicContact CG-CG 4.4Å; P346-E382 HydrophobicContact CB-CB 4.47Å; P346-E382 HydrophobicContact CG-CB 4.29Å; P346-G383 WeakPolarHBondContact CG-O 3.37Å
347	G	95.3	Very high	95.7	Very high	10 Å²	10	32 Å²	32	10%	0.103	18%	0.178	C	C	.	.	S	Bend	trans	72	-141.8	178.2	0	0	0	0	0	113	G315	G315-G347 PolarHBondContact N-O 3.23Å
348	S	96.4	Very high	95.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.171	C	C	.	.			trans	-156	152.2	-166.8	-169.5	0	0	0	0	110.5	W289 G292 Q350 T365	W289-S348 VanDerWaalsContact C-OG 3.24Å; W289-S348 WeakPolarHBondContact CA-OG 3.34Å; W289-S348 WeakPolarHBondContact O-CB 3.47Å; W289-S348 PolarHBondContact O-OG 2.76Å; G292-S348 VanDerWaalsContact CA-OG 3.3Å; G292-S348 WeakPolarHBondContact CA-OG 3.27Å; S348-Q350 PolarHBondContact O-N 2.87Å; S348-T365 WeakPolarHBondContact O-CA 3.5Å; S348-T365 VanDerWaalsContact O-CB 3.32Å; S348-T365 WeakPolarHBondContact O-CB 3.4Å
349	P	97.6	Very high	95.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.191	C	C	.	.			trans	-56.2	128.1	174.8	23.7	-35.2	0	0	0	111.2	S287 I294 L313 V363	S287-P349 WeakPolarHBondContact CB-O 3.4Å; I294-P349 HydrophobicContact CD1-CB 4.06Å; I294-P349 HydrophobicContact CG1-CB 3.63Å; I294-P349 HydrophobicContact CG1-CG 4.04Å; L313-P349 HydrophobicContact CB-CG 4.28Å; L313-P349 HydrophobicContact CD1-CB 4.25Å; P349-V363 HydrophobicContact CB-CG2 3.65Å
350	Q	97.8	Very high	95.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.182	C	C	.	.			trans	-122.4	-109.1	175.9	-149.6	-66.5	67.3	0	0	108.4	T273 S287 W289 S348 L352 T364 S366 L367 H419	T273-Q350 PolarHBondContact OG1-OE1 2.74Å; S287-Q350 WeakPolarHBondContact CB-O 3.27Å; S287-Q350 PolarHBondContact OG-O 3.03Å; W289-Q350 HydrophobicContact CG-CG 4.23Å; S348-Q350 PolarHBondContact O-N 2.87Å; Q350-L352 PolarHBondContact O-N 2.85Å; Q350-T364 PolarHBondContact N-O 3.27Å; Q350-S366 WeakPolarHBondContact CB-O 3.46Å; Q350-S366 VanDerWaalsContact CG-O 3.27Å; Q350-S366 WeakPolarHBondContact CG-O 3.26Å; Q350-S366 PolarHBondContact NE2-O 3.32Å; Q350-L367 HydrophobicContact CG-CB 3.77Å; Q350-L367 HydrophobicContact CG-CD1 4.01Å; Q350-L367 HydrophobicContact CG-CG 4.48Å; Q350-H419 PolarHBondContact NE2-CE1 3.27Å; Q350-H419 PolarHBondContact NE2-NE2 3.02Å
351	M	97.8	Very high	95.8	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.015	18%	0.182	C	C	.	.			trans	-63.7	133.3	-172.1	-66.7	-56.4	-64.7	0	0	111.5	H34 D274 V363 T364 H419 E420	H34-M351 WeakPolarHBondContact CE1-CE 3.45Å; D274-M351 HydrophobicContact CB-SD 4.14Å; M351-V363 VanDerWaalsContact O-CA 3.27Å; M351-V363 WeakPolarHBondContact O-CA 3.42Å; M351-T364 PolarHBondContact O-N 2.63Å; M351-T364 VanDerWaalsContact O-N 3.08Å; M351-H419 WeakPolarHBondContact CB-O 3.25Å; M351-H419 VanDerWaalsContact CG-CD2 3.45Å; M351-H419 WeakPolarHBondContact CG-CD2 3.39Å; M351-H419 WeakPolarHBondContact CG-NE2 3.5Å; M351-H419 PolarHBondContact SD-NE2 3.22Å; M351-E420 HydrophobicContact CE-CB 4.22Å; M351-E420 HydrophobicContact CE-CG 3.86Å
352	L	98.3	Very high	96.1	Very high	2 Å²	2	30 Å²	30	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	141.5	179.9	-57.1	-175.8	0	0	0	109.7	D274 L276 I294 Q350 L361 Y362 V363	D274-L352 WeakPolarHBondContact OD2-CA 3.42Å; D274-L352 VanDerWaalsContact OD2-CB 3.27Å; D274-L352 WeakPolarHBondContact OD2-CB 3.41Å; D274-L352 PolarHBondContact OD2-N 2.95Å; L276-L352 VanDerWaalsContact CD2-C 3.5Å; L276-L352 HydrophobicContact CD2-CB 3.51Å; L276-L352 WeakPolarHBondContact CD2-O 3.3Å; L276-L352 HydrophobicContact CG-CB 4.25Å; I294-L352 HydrophobicContact CD1-CD2 3.66Å; I294-L352 HydrophobicContact CG1-CD2 4.05Å; I294-L352 HydrophobicContact CG2-CD1 4.24Å; I294-L352 HydrophobicContact CG2-CD2 4.49Å; Q350-L352 PolarHBondContact O-N 2.85Å; L352-L361 HydrophobicContact CB-CD1 4.08Å; L352-L361 HydrophobicContact CD2-CD2 4.47Å; L352-Y362 CarbonylContact C-O 3.58Å; L352-Y362 WeakPolarHBondContact CA-O 3.4Å; L352-V363 HydrophobicContact CD2-CB 3.92Å; L352-V363 HydrophobicContact CD2-CG2 3.77Å
353	Q	97.7	Very high	96.3	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	116.1	169.1	-162	63.5	68	0	0	110.9	Y362 L421 Y423 D427 T429	Q353-Y362 PolarHBondContact N-O 2.92Å; Q353-Y362 PolarHBondContact O-N 2.86Å; Q353-L421 HydrophobicContact CB-CB 3.99Å; Q353-L421 HydrophobicContact CB-CD1 4.3Å; Q353-L421 HydrophobicContact CG-CB 4.4Å; Q353-L421 PolarHBondContact OE1-O 3.42Å; Q353-Y423 HydrophobicContact CB-CE1 4.17Å; Q353-Y423 HydrophobicContact CG-CD1 4.15Å; Q353-Y423 HydrophobicContact CG-CE1 3.62Å; Q353-Y423 PolarHBondContact O-OH 2.84Å; Q353-D427 HydrophobicContact CG-CB 3.97Å; Q353-D427 VanDerWaalsContact NE2-CB 3.27Å; Q353-D427 PolarHBondContact NE2-OD1 2.98Å; Q353-T429 PolarHBondContact NE2-OG1 2.81Å; Q353-T429 PolarHBondContact OE1-OG1 3.36Å
354	L	97.2	Very high	96.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	139.2	179.3	-169.5	71.5	0	0	0	110.6	L276 Y285 L361 V391	L276-L354 HydrophobicContact CD1-CB 3.68Å; L276-L354 HydrophobicContact CD1-CD2 4.13Å; L276-L354 HydrophobicContact CD1-CG 4.49Å; L276-L354 HydrophobicContact CD2-CB 4.21Å; Y285-L354 HydrophobicContact CD2-CD2 4.41Å; Y285-L354 HydrophobicContact CE2-CD2 3.75Å; L354-L361 HydrophobicContact CB-CD1 4Å; L354-L361 HydrophobicContact CD1-CB 3.92Å; L354-L361 HydrophobicContact CD1-CD1 4.01Å; L354-V391 HydrophobicContact CD1-CG2 4.16Å
355	S	94.3	Very high	96.6	Very high	5 Å²	5	20.3 Å²	20.3	4%	0.035	10%	0.097	C	C	.	.			trans	-65.4	150.6	169.2	57	0	0	0	0	112.6	D357 G358 R359 R360	S355-D357 VanDerWaalsContact CB-OD1 3.28Å; S355-D357 WeakPolarHBondContact CB-OD1 3.4Å; S355-D357 PolarHBondContact O-N 2.98Å; S355-D357 VanDerWaalsContact O-N 3.11Å; S355-D357 PolarHBondContact OG-OD1 2.92Å; S355-G358 WeakPolarHBondContact O-CA 3.43Å; S355-G358 PolarHBondContact O-N 3.06Å; S355-R359 PolarHBondContact OG-N 3.08Å; S355-R360 PolarHBondContact N-O 3.3Å; S355-R360 WeakPolarHBondContact OG-CB 3.31Å; S355-R360 PolarHBondContact OG-N 3.17Å; S355-R360 PolarHBondContact OG-O 2.87Å
356	L	92.9	Very high	96.7	Very high	87 Å²	87	20.1 Å²	20.1	46%	0.455	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-29.8	-179.5	-55.6	174	0	0	0	112.6	L279 G358	L279-L356 HydrophobicContact CD1-CB 3.75Å; L279-L356 HydrophobicContact CD1-CD2 3.62Å; L279-L356 HydrophobicContact CD1-CG 4.26Å; L279-L356 WeakPolarHBondContact CD1-O 3.24Å; L279-L356 HydrophobicContact CG-CD2 4.47Å; L356-G358 VanDerWaalsContact C-N 3.28Å; L356-G358 PolarHBondContact O-N 2.89Å
357	D	93.6	Very high	96.9	Very high	71 Å²	71	19.8 Å²	19.8	38%	0.38	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	0.8	175.6	66.5	1	0	0	0	114.4	S355 R359 R360	S355-D357 VanDerWaalsContact CB-OD1 3.28Å; S355-D357 WeakPolarHBondContact CB-OD1 3.4Å; S355-D357 PolarHBondContact O-N 2.98Å; S355-D357 VanDerWaalsContact O-N 3.11Å; S355-D357 PolarHBondContact OG-OD1 2.92Å; D357-R359 WeakPolarHBondContact O-CG 3.32Å; D357-R359 PolarHBondContact O-N 3.33Å; D357-R359 PolarHBondContact OD1-N 3.19Å; D357-R359 VanDerWaalsContact OD1-N 3.14Å; D357-R360 IonicContact OD1-NE 3.96Å; D357-R360 IonicContact OD1-NH2 3.87Å; D357-R360 IonicContact OD2-CZ 3.33Å; D357-R360 IonicContact OD2-NE 3.34Å; D357-R360 IonicContact OD2-NH2 2.64Å; D357-R360 PolarHBondContact OD2-NH2 2.91Å
358	G	95.9	Very high	96.9	Very high	8 Å²	8	19.5 Å²	19.5	8%	0.082	9%	0.09	C	C	.	.	S	Bend	trans	71.2	6.8	178.1	0	0	0	0	0	115.7	S355 L356 V391	S355-G358 WeakPolarHBondContact O-CA 3.43Å; S355-G358 PolarHBondContact O-N 3.06Å; L356-G358 VanDerWaalsContact C-N 3.28Å; L356-G358 PolarHBondContact O-N 2.89Å; G358-V391 WeakPolarHBondContact O-CB 3.4Å; G358-V391 WeakPolarHBondContact O-CG1 3.18Å
359	R	97	Very high	96.9	Very high	135 Å²	135	21.3 Å²	21.3	51%	0.509	10%	0.102	S	C	.	.	S	Bend	trans	-101.5	-15.6	-168.6	-71.2	172.7	179	-122.7	-5.2	115.3	S355 D357 V391 A393 E394	S355-R359 PolarHBondContact OG-N 3.08Å; D357-R359 WeakPolarHBondContact O-CG 3.32Å; D357-R359 PolarHBondContact O-N 3.33Å; D357-R359 PolarHBondContact OD1-N 3.19Å; D357-R359 VanDerWaalsContact OD1-N 3.14Å; R359-V391 PolarHBondContact O-N 2.78Å; R359-A393 HydrophobicContact CG-CB 4.17Å; R359-E394 IonicContact NH2-OE1 3.64Å
360	R	97.1	Very high	96.7	Very high	58 Å²	58	21.9 Å²	21.9	22%	0.219	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	113.3	-175.2	-62.8	161.1	-77.6	-171	-4.5	109.1	D4 S355 D357 Y362	D4-R360 PolarHBondContact O-NH1 2.68Å; S355-R360 PolarHBondContact N-O 3.3Å; S355-R360 WeakPolarHBondContact OG-CB 3.31Å; S355-R360 PolarHBondContact OG-N 3.17Å; S355-R360 PolarHBondContact OG-O 2.87Å; D357-R360 IonicContact OD1-NE 3.96Å; D357-R360 IonicContact OD1-NH2 3.87Å; D357-R360 IonicContact OD2-CZ 3.33Å; D357-R360 IonicContact OD2-NE 3.34Å; D357-R360 IonicContact OD2-NH2 2.64Å; D357-R360 PolarHBondContact OD2-NH2 2.91Å; R360-Y362 HydrophobicContact CB-CD2 4.41Å; R360-Y362 HydrophobicContact CB-CE2 3.78Å
361	L	98.3	Very high	96.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	119.8	174.5	-178.7	70.8	0	0	0	108.5	L276 Y285 I294 L352 L354 R388 I389 V391	L276-L361 HydrophobicContact CD1-CD1 4.47Å; L276-L361 HydrophobicContact CD2-CD1 4.09Å; Y285-L361 HydrophobicContact CD1-CD2 4Å; I294-L361 HydrophobicContact CD1-CD2 4.28Å; I294-L361 HydrophobicContact CG2-CD2 3.89Å; L352-L361 HydrophobicContact CB-CD1 4.08Å; L352-L361 HydrophobicContact CD2-CD2 4.47Å; L354-L361 HydrophobicContact CB-CD1 4Å; L354-L361 HydrophobicContact CD1-CB 3.92Å; L354-L361 HydrophobicContact CD1-CD1 4.01Å; L361-R388 CarbonylContact O-C 2.97Å; L361-R388 WeakPolarHBondContact O-CA 3.25Å; L361-I389 HydrophobicContact CB-CB 4.19Å; L361-I389 PolarHBondContact N-O 3.16Å; L361-I389 PolarHBondContact O-N 2.97Å; L361-V391 HydrophobicContact CB-CG2 3.74Å
362	Y	98.1	Very high	96.5	Very high	28 Å²	28	22 Å²	22	11%	0.11	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	144.7	175.5	-66.5	-108.7	0	0	0	108.7	L352 Q353 R360 M386 M387 R388 F404 Y423	L352-Y362 CarbonylContact C-O 3.58Å; L352-Y362 WeakPolarHBondContact CA-O 3.4Å; Q353-Y362 PolarHBondContact N-O 2.92Å; Q353-Y362 PolarHBondContact O-N 2.86Å; R360-Y362 HydrophobicContact CB-CD2 4.41Å; R360-Y362 HydrophobicContact CB-CE2 3.78Å; Y362-M386 HydrophobicContact CD1-SD 4.11Å; Y362-M387 WeakPolarHBondContact CA-O 3.28Å; Y362-R388 HydrophobicContact CD1-CB 4.47Å; Y362-R388 HydrophobicContact CD1-CG 4.49Å; Y362-R388 HydrophobicContact CE1-CB 4.48Å; Y362-R388 HydrophobicContact CE1-CG 4.31Å; Y362-R388 HydrophobicContact CE2-CG 4.39Å; Y362-F404 HydrophobicContact CD1-CE1 4.16Å; Y362-F404 HydrophobicContact CD1-CE2 4.4Å; Y362-F404 AromaticContact CD1-CZ 3.84Å; Y362-F404 HydrophobicContact CD1-CZ 3.84Å; Y362-F404 HydrophobicContact CE1-CD2 4.47Å; Y362-F404 HydrophobicContact CE1-CE1 4.18Å; Y362-F404 AromaticContact CE1-CE2 3.61Å; Y362-F404 HydrophobicContact CE1-CE2 3.61Å; Y362-F404 AromaticContact CE1-CZ 3.46Å; Y362-F404 HydrophobicContact CE1-CZ 3.46Å; Y362-F404 VanDerWaalsContact CE1-CZ 3.46Å; Y362-Y423 HydrophobicContact CD2-CE1 4.46Å; Y362-Y423 AromaticContact CD2-CZ 3.88Å; Y362-Y423 WeakPolarHBondContact CD2-OH 3.22Å; Y362-Y423 WeakPolarHBondContact CE2-OH 3.38Å
363	V	98.4	Very high	96.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	137.4	-175.7	55.8	0	0	0	0	110.9	I294 L313 P349 M351 L352 M386 M387 I389	I294-V363 HydrophobicContact CD1-CB 4.07Å; I294-V363 HydrophobicContact CD1-CG1 4.16Å; I294-V363 HydrophobicContact CD1-CG2 4.04Å; L313-V363 HydrophobicContact CD1-CG1 4.06Å; P349-V363 HydrophobicContact CB-CG2 3.65Å; M351-V363 VanDerWaalsContact O-CA 3.27Å; M351-V363 WeakPolarHBondContact O-CA 3.42Å; L352-V363 HydrophobicContact CD2-CB 3.92Å; L352-V363 HydrophobicContact CD2-CG2 3.77Å; V363-M386 CarbonylContact O-C 3.46Å; V363-M386 VanDerWaalsContact O-CA 3.23Å; V363-M386 WeakPolarHBondContact O-CA 3.46Å; V363-M387 HydrophobicContact CG1-CB 3.76Å; V363-M387 HydrophobicContact CG1-CE 3.89Å; V363-M387 PolarHBondContact N-O 3.32Å; V363-M387 PolarHBondContact O-N 3.19Å; V363-I389 HydrophobicContact CG1-CG1 4.41Å
364	T	98.4	Very high	96.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.156	C	C	.	.			trans	-111.2	176.5	168.4	63.8	0	0	0	0	110.7	Q350 M351 V385 M386 A418 H419 L421	Q350-T364 PolarHBondContact N-O 3.27Å; M351-T364 PolarHBondContact O-N 2.63Å; M351-T364 VanDerWaalsContact O-N 3.08Å; T364-V385 WeakPolarHBondContact CA-O 3.36Å; T364-M386 HydrophobicContact CG2-CB 4.26Å; T364-M386 HydrophobicContact CG2-CG 4.48Å; T364-A418 VanDerWaalsContact CB-O 3.32Å; T364-A418 WeakPolarHBondContact CB-O 2.98Å; T364-A418 HydrophobicContact CG2-CB 4.07Å; T364-A418 PolarHBondContact OG1-O 2.82Å; T364-H419 WeakPolarHBondContact CB-O 3.19Å; T364-H419 WeakPolarHBondContact CG2-O 3.4Å; T364-H419 PolarHBondContact OG1-O 3.1Å; T364-L421 HydrophobicContact CG2-CD1 3.95Å; T364-L421 HydrophobicContact CG2-CD2 3.79Å; T364-L421 HydrophobicContact CG2-CG 3.82Å
365	T	97.8	Very high	96	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.162	C	C	.	.			trans	-119.2	-13.1	-169.3	60.8	0	0	0	0	116.3	W289 V345 S348 M379 S384 V385 M387	W289-T365 PolarHBondContact NE1-O 2.79Å; V345-T365 HydrophobicContact CG1-CG2 4.37Å; S348-T365 WeakPolarHBondContact O-CA 3.5Å; S348-T365 VanDerWaalsContact O-CB 3.32Å; S348-T365 WeakPolarHBondContact O-CB 3.4Å; T365-M379 PolarHBondContact OG1-SD 3.39Å; T365-S384 WeakPolarHBondContact OG1-CA 3.01Å; T365-S384 VanDerWaalsContact OG1-CB 3.29Å; T365-S384 WeakPolarHBondContact OG1-CB 3.19Å; T365-V385 HydrophobicContact CG2-CG2 3.78Å; T365-V385 PolarHBondContact OG1-N 3.26Å; T365-M387 HydrophobicContact CG2-CE 4.12Å
366	S	97.6	Very high	96	Very high	4 Å²	4	34.6 Å²	34.6	3%	0.028	16%	0.164	C	C	.	.			trans	-85.5	133.8	-178.2	178.8	0	0	0	0	111.5	Q350 D372 A418 H419	Q350-S366 WeakPolarHBondContact CB-O 3.46Å; Q350-S366 VanDerWaalsContact CG-O 3.27Å; Q350-S366 WeakPolarHBondContact CG-O 3.26Å; Q350-S366 PolarHBondContact NE2-O 3.32Å; S366-D372 WeakPolarHBondContact CA-OD2 3.48Å; S366-D372 WeakPolarHBondContact CB-OD2 3.28Å; S366-D372 PolarHBondContact OG-OD2 3.2Å; S366-A418 VanDerWaalsContact CB-O 3.29Å; S366-A418 WeakPolarHBondContact CB-O 3.49Å; S366-A418 PolarHBondContact N-O 3.43Å; S366-H419 PolarHBondContact O-ND1 3.01Å
367	L	96.6	Very high	96.1	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	16%	0.16	C	C	.	.	S	Bend	trans	-95.7	-75.5	169.5	176.2	60.5	0	0	0	109.1	H33 L271 T273 W289 Q350 W371 D372 H419	H33-L367 PolarHBondContact CE1-O 3.02Å; H33-L367 PolarHBondContact ND1-O 3.01Å; L271-L367 HydrophobicContact CD2-CD2 4.21Å; T273-L367 HydrophobicContact CG2-CD1 3.75Å; T273-L367 HydrophobicContact CG2-CD2 3.83Å; T273-L367 HydrophobicContact CG2-CG 4.37Å; W289-L367 HydrophobicContact CD2-CB 4.17Å; W289-L367 HydrophobicContact CD2-CD2 4.16Å; W289-L367 HydrophobicContact CE3-CD2 4.01Å; W289-L367 HydrophobicContact CH2-CB 4.21Å; W289-L367 HydrophobicContact CH2-CD2 4.29Å; W289-L367 HydrophobicContact CZ2-CB 3.69Å; W289-L367 HydrophobicContact CZ2-CD2 4.48Å; W289-L367 HydrophobicContact CZ3-CD2 4.07Å; Q350-L367 HydrophobicContact CG-CB 3.77Å; Q350-L367 HydrophobicContact CG-CD1 4.01Å; Q350-L367 HydrophobicContact CG-CG 4.48Å; L367-W371 HydrophobicContact CD2-CB 4.4Å; L367-W371 HydrophobicContact CD2-CD2 4.33Å; L367-W371 HydrophobicContact CD2-CE3 3.66Å; L367-W371 HydrophobicContact CD2-CZ3 4.33Å; L367-D372 PolarHBondContact N-OD1 3.48Å; L367-D372 PolarHBondContact N-OD2 3.38Å; L367-H419 PolarHBondContact O-CE1 3.4Å; L367-H419 PolarHBondContact O-ND1 3.02Å
368	F	96.4	Very high	96.1	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.018	16%	0.162	C	C	.	.			trans	-153.9	130.8	-174.3	170.7	-111.7	0	0	0	106.8	E31 L59 I60 W164 L170 G370 W371 D372	E31-F368 HydrophobicContact CG-CD2 3.99Å; E31-F368 HydrophobicContact CG-CE2 3.91Å; E31-F368 VanDerWaalsContact OE1-CD2 3.27Å; E31-F368 WeakPolarHBondContact OE1-CD2 3.2Å; L59-F368 HydrophobicContact CD2-CD2 3.96Å; L59-F368 HydrophobicContact CD2-CE2 4.08Å; I60-F368 HydrophobicContact CD1-CE2 3.85Å; I60-F368 HydrophobicContact CD1-CZ 3.86Å; I60-F368 HydrophobicContact CG1-CE2 4.03Å; I60-F368 HydrophobicContact CG1-CZ 4.43Å; W164-F368 HydrophobicContact CH2-CB 4.14Å; W164-F368 HydrophobicContact CH2-CD1 4.26Å; W164-F368 HydrophobicContact CH2-CG 4.1Å; L170-F368 WeakPolarHBondContact O-CE1 3.34Å; F368-G370 PolarHBondContact O-N 2.77Å; F368-W371 HydrophobicContact CD1-CB 4.49Å; F368-W371 AromaticContact CD1-CD1 3.58Å; F368-W371 HydrophobicContact CD1-CG 4.17Å; F368-W371 CarbonylContact O-C 3.55Å; F368-W371 WeakPolarHBondContact O-CA 3.33Å; F368-W371 PolarHBondContact O-N 3.04Å; F368-D372 PolarHBondContact N-OD1 2.71Å; F368-D372 VanDerWaalsContact N-OD1 3.16Å; F368-D372 PolarHBondContact O-N 3Å
369	S	95.1	Very high	96.1	Very high	37 Å²	37	33.2 Å²	33.2	26%	0.259	16%	0.158	S	C	.	.	H	α-helix	trans	-54.1	-36.3	-165.7	63.5	0	0	0	0	114	E31 K373	E31-S369 VanDerWaalsContact CD-OG 3.25Å; E31-S369 WeakPolarHBondContact OE1-CB 2.96Å; E31-S369 PolarHBondContact OE1-N 3.03Å; E31-S369 PolarHBondContact OE1-OG 3.25Å; E31-S369 VanDerWaalsContact OE2-CB 3.26Å; E31-S369 WeakPolarHBondContact OE2-CB 3.47Å; E31-S369 PolarHBondContact OE2-OG 3.11Å; S369-K373 VanDerWaalsContact O-CB 3.31Å; S369-K373 WeakPolarHBondContact O-CB 3.31Å; S369-K373 PolarHBondContact O-N 3.23Å
370	G	94.4	Very high	96	Very high	13 Å²	13	29.9 Å²	29.9	13%	0.134	15%	0.149	C	C	.	.	H	α-helix	trans	-63.3	-39.1	174.5	0	0	0	0	0	113.5	F368	F368-G370 PolarHBondContact O-N 2.77Å
371	W	95.1	Very high	95.8	Very high	6 Å²	6	34.6 Å²	34.6	2%	0.023	17%	0.167	C	C	.	.	H	α-helix	trans	-81.9	-42.2	178.8	-71.3	35.8	0	0	0	110.7	W164 L170 F174 Y184 L271 W289 L367 F368 K373 Q374 F375	W164-W371 HydrophobicContact CZ2-CD2 4.44Å; W164-W371 AromaticContact CZ2-CE2 3.89Å; W164-W371 HydrophobicContact CZ2-CH2 4.28Å; W164-W371 AromaticContact CZ2-CZ2 3.8Å; W164-W371 HydrophobicContact CZ2-CZ2 3.8Å; W164-W371 AromaticContact NE1-CH2 3.85Å; W164-W371 AromaticContact NE1-CZ2 3.76Å; L170-W371 HydrophobicContact CD2-CZ2 4.12Å; F174-W371 HydrophobicContact CB-CD2 4.19Å; F174-W371 HydrophobicContact CB-CE3 4.5Å; F174-W371 HydrophobicContact CB-CH2 4.27Å; F174-W371 HydrophobicContact CB-CZ2 3.93Å; F174-W371 AromaticContact CD2-CH2 3.65Å; F174-W371 HydrophobicContact CD2-CH2 3.65Å; F174-W371 AromaticContact CD2-CZ2 3.69Å; F174-W371 HydrophobicContact CD2-CZ2 3.69Å; F174-W371 HydrophobicContact CD2-CZ3 4.42Å; F174-W371 HydrophobicContact CE2-CH2 4.41Å; F174-W371 HydrophobicContact CG-CH2 4.26Å; F174-W371 HydrophobicContact CG-CZ2 4.24Å; Y184-W371 HydrophobicContact CE1-CH2 4.44Å; Y184-W371 HydrophobicContact CE1-CZ2 4.08Å; L271-W371 HydrophobicContact CD1-CZ3 4.28Å; L271-W371 HydrophobicContact CD2-CE3 4.21Å; L271-W371 HydrophobicContact CD2-CZ3 3.98Å; W289-W371 HydrophobicContact CH2-CB 4.33Å; L367-W371 HydrophobicContact CD2-CB 4.4Å; L367-W371 HydrophobicContact CD2-CD2 4.33Å; L367-W371 HydrophobicContact CD2-CE3 3.66Å; L367-W371 HydrophobicContact CD2-CZ3 4.33Å; F368-W371 HydrophobicContact CD1-CB 4.49Å; F368-W371 AromaticContact CD1-CD1 3.58Å; F368-W371 HydrophobicContact CD1-CG 4.17Å; F368-W371 CarbonylContact O-C 3.55Å; F368-W371 WeakPolarHBondContact O-CA 3.33Å; F368-W371 PolarHBondContact O-N 3.04Å; W371-K373 VanDerWaalsContact C-N 3.26Å; W371-K373 PolarHBondContact O-N 2.83Å; W371-Q374 WeakPolarHBondContact O-CB 3.43Å; W371-Q374 PolarHBondContact O-N 2.88Å; W371-F375 HydrophobicContact CB-CD2 4.22Å; W371-F375 HydrophobicContact CE3-CE2 4.34Å; W371-F375 VanDerWaalsContact O-CD2 3.29Å; W371-F375 WeakPolarHBondContact O-CD2 3.19Å; W371-F375 PolarHBondContact O-N 2.81Å
372	D	95.9	Very high	95.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-53.3	-45.4	175.2	-68.6	0.2	0	0	0	111.1	W289 S366 L367 F368 Q374 Y376 M379 M380	W289-D372 WeakPolarHBondContact CZ2-OD1 3.09Å; S366-D372 WeakPolarHBondContact CA-OD2 3.48Å; S366-D372 WeakPolarHBondContact CB-OD2 3.28Å; S366-D372 PolarHBondContact OG-OD2 3.2Å; L367-D372 PolarHBondContact N-OD1 3.48Å; L367-D372 PolarHBondContact N-OD2 3.38Å; F368-D372 PolarHBondContact N-OD1 2.71Å; F368-D372 VanDerWaalsContact N-OD1 3.16Å; F368-D372 PolarHBondContact O-N 3Å; D372-Q374 VanDerWaalsContact C-N 3.3Å; D372-Q374 PolarHBondContact O-N 3.49Å; D372-Y376 CarbonylContact O-C 3.59Å; D372-Y376 VanDerWaalsContact O-CA 3.28Å; D372-Y376 WeakPolarHBondContact O-CA 3.36Å; D372-Y376 PolarHBondContact O-N 2.79Å; D372-M379 HydrophobicContact CB-CE 3.58Å; D372-M379 VanDerWaalsContact OD2-CE 3.26Å; D372-M379 WeakPolarHBondContact OD2-CE 3.32Å; D372-M380 HydrophobicContact CB-SD 3.89Å
373	K	95.4	Very high	95.5	Very high	144 Å²	144	37.2 Å²	37.2	63%	0.626	18%	0.18	S	C	*	.	H	α-helix	trans	-62.9	-34.7	176.9	-175.2	178.6	179.6	-179.1	0	113.4	S369 W371 M380	S369-K373 VanDerWaalsContact O-CB 3.31Å; S369-K373 WeakPolarHBondContact O-CB 3.31Å; S369-K373 PolarHBondContact O-N 3.23Å; W371-K373 VanDerWaalsContact C-N 3.26Å; W371-K373 PolarHBondContact O-N 2.83Å; K373-M380 HydrophobicContact CB-CG 4.12Å; K373-M380 HydrophobicContact CB-SD 4.38Å
374	Q	93.8	Very high	95.4	Very high	81 Å²	81	37.2 Å²	37.2	38%	0.379	18%	0.18	S	C	.	.	H	α-helix	trans	-77.8	-46.2	-179.6	177.2	180	-0.6	0	0	112.1	F174 W371 D372	F174-Q374 PolarHBondContact O-NE2 2.83Å; F174-Q374 PolarHBondContact O-OE1 2.95Å; W371-Q374 WeakPolarHBondContact O-CB 3.43Å; W371-Q374 PolarHBondContact O-N 2.88Å; D372-Q374 VanDerWaalsContact C-N 3.3Å; D372-Q374 PolarHBondContact O-N 3.49Å
375	F	93.4	Very high	95.4	Very high	28 Å²	28	37.2 Å²	37.2	12%	0.123	18%	0.18	C	C	.	.	H	α-helix	trans	-92.5	-34.9	-170.7	-73.1	-88.3	0	0	0	113	F174 W262 W289 L290 W371	F174-F375 HydrophobicContact CB-CE2 3.88Å; F174-F375 HydrophobicContact CB-CZ 4.14Å; F174-F375 HydrophobicContact CD1-CZ 4.25Å; W262-F375 AromaticContact CH2-CD1 3.63Å; W262-F375 HydrophobicContact CH2-CD1 3.63Å; W262-F375 AromaticContact CH2-CE1 3.65Å; W262-F375 HydrophobicContact CH2-CE1 3.65Å; W262-F375 HydrophobicContact CZ2-CD1 4.32Å; W262-F375 AromaticContact CZ2-CE1 3.88Å; W262-F375 HydrophobicContact CZ2-CE1 3.88Å; W289-F375 HydrophobicContact CH2-CB 3.65Å; W289-F375 HydrophobicContact CH2-CD2 4.22Å; W289-F375 HydrophobicContact CH2-CG 4.15Å; W289-F375 HydrophobicContact CZ3-CB 3.61Å; W289-F375 HydrophobicContact CZ3-CD1 4.38Å; W289-F375 AromaticContact CZ3-CD2 3.85Å; W289-F375 HydrophobicContact CZ3-CD2 3.85Å; W289-F375 AromaticContact CZ3-CG 3.7Å; W289-F375 HydrophobicContact CZ3-CG 3.7Å; L290-F375 HydrophobicContact CD1-CD1 3.82Å; L290-F375 HydrophobicContact CD1-CE1 4.04Å; W371-F375 HydrophobicContact CB-CD2 4.22Å; W371-F375 HydrophobicContact CE3-CE2 4.34Å; W371-F375 VanDerWaalsContact O-CD2 3.29Å; W371-F375 WeakPolarHBondContact O-CD2 3.19Å; W371-F375 PolarHBondContact O-N 2.81Å
376	Y	95.1	Very high	95.4	Very high	18 Å²	18	37.4 Å²	37.4	7%	0.071	18%	0.181	C	C	.	.			trans	-135	62.7	-176.8	-58.7	-63.9	0	0	0	112	W289 L290 S316 D372 D378 M379	W289-Y376 HydrophobicContact CD2-CD2 4.38Å; W289-Y376 AromaticContact CD2-CE2 3.71Å; W289-Y376 HydrophobicContact CD2-CE2 3.71Å; W289-Y376 AromaticContact CE2-CD2 3.75Å; W289-Y376 AromaticContact CE2-CE2 3.53Å; W289-Y376 HydrophobicContact CE3-CD2 4.48Å; W289-Y376 AromaticContact CE3-CE2 3.75Å; W289-Y376 HydrophobicContact CE3-CE2 3.75Å; W289-Y376 AromaticContact CH2-CD2 3.53Å; W289-Y376 HydrophobicContact CH2-CD2 3.53Å; W289-Y376 AromaticContact CH2-CE2 3.64Å; W289-Y376 HydrophobicContact CH2-CE2 3.64Å; W289-Y376 AromaticContact CZ2-CD2 3.31Å; W289-Y376 HydrophobicContact CZ2-CD2 3.31Å; W289-Y376 AromaticContact CZ2-CE2 3.52Å; W289-Y376 HydrophobicContact CZ2-CE2 3.52Å; W289-Y376 HydrophobicContact CZ3-CD2 4.11Å; W289-Y376 AromaticContact CZ3-CE2 3.73Å; W289-Y376 HydrophobicContact CZ3-CE2 3.73Å; W289-Y376 PolarHBondContact O-OH 3.16Å; L290-Y376 PolarHBondContact O-OH 2.9Å; S316-Y376 PolarHBondContact N-OH 3.5Å; S316-Y376 PolarHBondContact OG-OH 2.96Å; D372-Y376 CarbonylContact O-C 3.59Å; D372-Y376 VanDerWaalsContact O-CA 3.28Å; D372-Y376 WeakPolarHBondContact O-CA 3.36Å; D372-Y376 PolarHBondContact O-N 2.79Å; Y376-D378 PolarHBondContact O-N 3.39Å; Y376-M379 WeakPolarHBondContact O-CB 3.22Å; Y376-M379 PolarHBondContact O-N 2.95Å
377	P	94.6	Very high	95.4	Very high	59 Å²	59	37.2 Å²	37.2	38%	0.383	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.3	-177.9	25.3	-36	0	0	0	114	R381	P377-R381 PolarHBondContact O-NH1 3.31Å; P377-R381 VanDerWaalsContact O-NH1 3.16Å
378	D	93.6	Very high	95.5	Very high	78 Å²	78	38.4 Å²	38.4	42%	0.417	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-35.5	176.1	-62.1	-7.5	0	0	0	111.4	Y376 M380 R381 E382	Y376-D378 PolarHBondContact O-N 3.39Å; D378-M380 VanDerWaalsContact C-N 3.26Å; D378-M380 PolarHBondContact O-N 2.99Å; D378-R381 PolarHBondContact O-N 3.14Å; D378-R381 IonicContact OD1-CZ 2.97Å; D378-R381 IonicContact OD1-NH1 3.37Å; D378-R381 PolarHBondContact OD1-NH1 2.92Å; D378-R381 IonicContact OD1-NH2 3.36Å; D378-R381 PolarHBondContact OD1-NH2 3.5Å; D378-E382 WeakPolarHBondContact O-CB 3.3Å; D378-E382 PolarHBondContact O-N 3.32Å
379	M	95.7	Very high	95.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.7	-34.5	174.9	-173.6	175.3	65.9	0	0	111.8	P346 T365 D372 Y376 R381 E382 G383 L417	P346-M379 HydrophobicContact CB-CB 4.06Å; P346-M379 HydrophobicContact CB-CG 4.43Å; P346-M379 HydrophobicContact CG-CG 4.4Å; T365-M379 PolarHBondContact OG1-SD 3.39Å; D372-M379 HydrophobicContact CB-CE 3.58Å; D372-M379 VanDerWaalsContact OD2-CE 3.26Å; D372-M379 WeakPolarHBondContact OD2-CE 3.32Å; Y376-M379 WeakPolarHBondContact O-CB 3.22Å; Y376-M379 PolarHBondContact O-N 2.95Å; M379-R381 PolarHBondContact O-N 3.41Å; M379-E382 PolarHBondContact O-N 3.2Å; M379-G383 CarbonylContact O-C 3.59Å; M379-G383 WeakPolarHBondContact O-CA 2.98Å; M379-G383 PolarHBondContact O-N 2.54Å; M379-L417 HydrophobicContact CE-CD2 4.48Å; M379-L417 HydrophobicContact CG-CD2 4.09Å
380	M	94.1	Very high	95.7	Very high	66 Å²	66	39 Å²	39	33%	0.325	18%	0.184	S	C	.	.	H	α-helix	trans	-62.5	-27.4	173.9	-61.1	-58.8	-58.5	0	0	112.9	D372 K373 D378 L417	D372-M380 HydrophobicContact CB-SD 3.89Å; K373-M380 HydrophobicContact CB-CG 4.12Å; K373-M380 HydrophobicContact CB-SD 4.38Å; D378-M380 VanDerWaalsContact C-N 3.26Å; D378-M380 PolarHBondContact O-N 2.99Å; M380-L417 HydrophobicContact CE-CD1 3.86Å; M380-L417 HydrophobicContact SD-CD1 3.59Å; M380-L417 VanDerWaalsContact SD-CD1 3.59Å; M380-L417 HydrophobicContact SD-CD2 4.47Å
381	R	93.7	Very high	95.9	Very high	157 Å²	157	39 Å²	39	59%	0.592	18%	0.182	S	C	*	.	H	α-helix	trans	-92.8	-36.8	-179.7	-58.6	-167.4	-56.4	-87.6	8.7	112.2	P377 D378 M379	P377-R381 PolarHBondContact O-NH1 3.31Å; P377-R381 VanDerWaalsContact O-NH1 3.16Å; D378-R381 PolarHBondContact O-N 3.14Å; D378-R381 IonicContact OD1-CZ 2.97Å; D378-R381 IonicContact OD1-NH1 3.37Å; D378-R381 PolarHBondContact OD1-NH1 2.92Å; D378-R381 IonicContact OD1-NH2 3.36Å; D378-R381 PolarHBondContact OD1-NH2 3.5Å; M379-R381 PolarHBondContact O-N 3.41Å
382	E	94.9	Very high	96	Very high	83 Å²	83	41.9 Å²	41.9	39%	0.388	20%	0.198	S	C	.	.	H	α-helix	trans	-98.4	-9	-171.8	-65.8	-175.7	-148.1	0	0	114.3	K343 P346 D378 M379 G409	K343-E382 PolarHBondContact NZ-O 3.02Å; K343-E382 VanDerWaalsContact NZ-O 3.1Å; P346-E382 HydrophobicContact CB-CB 4.47Å; P346-E382 HydrophobicContact CG-CB 4.29Å; D378-E382 WeakPolarHBondContact O-CB 3.3Å; D378-E382 PolarHBondContact O-N 3.32Å; M379-E382 PolarHBondContact O-N 3.2Å; E382-G409 WeakPolarHBondContact O-CA 3.21Å
383	G	95.7	Very high	95.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.203	C	C	.	.			trans	78	159.8	-174	0	0	0	0	0	113	P346 M379 P415	P346-G383 WeakPolarHBondContact CG-O 3.37Å; M379-G383 CarbonylContact O-C 3.59Å; M379-G383 WeakPolarHBondContact O-CA 2.98Å; M379-G383 PolarHBondContact O-N 2.54Å; G383-P415 VanDerWaalsContact N-CB 3.32Å
384	S	96.9	Very high	95.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.2	C	C	.	.			trans	-75.3	172.4	172.9	66.2	0	0	0	0	111.8	T365 F408 A416 L417 A418	T365-S384 WeakPolarHBondContact OG1-CA 3.01Å; T365-S384 VanDerWaalsContact OG1-CB 3.29Å; T365-S384 WeakPolarHBondContact OG1-CB 3.19Å; S384-F408 WeakPolarHBondContact O-CB 3.47Å; S384-F408 PolarHBondContact O-N 3.33Å; S384-A416 WeakPolarHBondContact CB-O 3.39Å; S384-A416 PolarHBondContact N-O 3Å; S384-A416 PolarHBondContact OG-O 2.98Å; S384-L417 WeakPolarHBondContact OG-CA 3.2Å; S384-A418 PolarHBondContact OG-N 3.48Å
385	V	97.1	Very high	95.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	160.8	173.1	-59.6	0	0	0	0	110.8	K343 V345 T364 T365 M387 L405 V406	K343-V385 HydrophobicContact CD-CG1 4.42Å; V345-V385 HydrophobicContact CG1-CG2 3.72Å; V345-V385 HydrophobicContact CG2-CG2 4.39Å; T364-V385 WeakPolarHBondContact CA-O 3.36Å; T365-V385 HydrophobicContact CG2-CG2 3.78Å; T365-V385 PolarHBondContact OG1-N 3.26Å; V385-M387 HydrophobicContact CG2-CE 4.24Å; V385-M387 HydrophobicContact CG2-CG 4.04Å; V385-M387 HydrophobicContact CG2-SD 4.32Å; V385-L405 HydrophobicContact CB-CD1 3.86Å; V385-L405 HydrophobicContact CG1-CD1 4.11Å; V385-L405 HydrophobicContact CG2-CD1 4.3Å; V385-V406 CarbonylContact C-O 3.56Å; V385-V406 WeakPolarHBondContact CA-O 3.28Å
386	M	97.8	Very high	96.1	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.02	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.1	161.7	173.7	-170.2	51.6	0	0	109.8	M1 Y362 V363 T364 F404 V406 F408 L421	M1-M386 HydrophobicContact CE-CE 3.37Å; M1-M386 HydrophobicContact CE-SD 3.64Å; M1-M386 HydrophobicContact SD-CE 3.96Å; Y362-M386 HydrophobicContact CD1-SD 4.11Å; V363-M386 CarbonylContact O-C 3.46Å; V363-M386 VanDerWaalsContact O-CA 3.23Å; V363-M386 WeakPolarHBondContact O-CA 3.46Å; T364-M386 HydrophobicContact CG2-CB 4.26Å; T364-M386 HydrophobicContact CG2-CG 4.48Å; M386-F404 HydrophobicContact CE-CE1 3.96Å; M386-F404 HydrophobicContact CE-CZ 3.94Å; M386-F404 HydrophobicContact CG-CE1 4.2Å; M386-F404 HydrophobicContact SD-CE1 4.45Å; M386-V406 HydrophobicContact CB-CB 4.29Å; M386-V406 HydrophobicContact CE-CB 3.54Å; M386-V406 HydrophobicContact CE-CG1 4.13Å; M386-V406 HydrophobicContact CE-CG2 3.31Å; M386-V406 PolarHBondContact N-O 3.3Å; M386-V406 PolarHBondContact O-N 3.33Å; M386-F408 HydrophobicContact CB-CE2 3.76Å; M386-F408 HydrophobicContact CB-CZ 4.33Å; M386-L421 HydrophobicContact CG-CD1 4.25Å; M386-L421 HydrophobicContact SD-CD1 4.03Å; M386-L421 HydrophobicContact SD-CD2 3.76Å
387	M	97.9	Very high	96.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	166.2	179.2	-55.4	171.7	-79.7	0	0	110.3	L313 I340 V345 Y362 V363 T365 V385 L400 L405	L313-M387 HydrophobicContact CB-CE 3.96Å; L313-M387 HydrophobicContact CB-SD 4.44Å; L313-M387 HydrophobicContact CD1-CE 4.07Å; L313-M387 HydrophobicContact CD2-SD 4.35Å; L313-M387 HydrophobicContact CG-CE 4.48Å; I340-M387 HydrophobicContact CD1-CB 4.42Å; I340-M387 HydrophobicContact CD1-CG 3.72Å; I340-M387 HydrophobicContact CD1-SD 3.63Å; V345-M387 HydrophobicContact CB-SD 4.48Å; V345-M387 HydrophobicContact CG1-CE 4Å; V345-M387 HydrophobicContact CG1-SD 3.97Å; V345-M387 HydrophobicContact CG2-SD 3.77Å; Y362-M387 WeakPolarHBondContact CA-O 3.28Å; V363-M387 HydrophobicContact CG1-CB 3.76Å; V363-M387 HydrophobicContact CG1-CE 3.89Å; V363-M387 PolarHBondContact N-O 3.32Å; V363-M387 PolarHBondContact O-N 3.19Å; T365-M387 HydrophobicContact CG2-CE 4.12Å; V385-M387 HydrophobicContact CG2-CE 4.24Å; V385-M387 HydrophobicContact CG2-CG 4.04Å; V385-M387 HydrophobicContact CG2-SD 4.32Å; M387-L400 HydrophobicContact CB-CD1 4.38Å; M387-L405 HydrophobicContact CG-CD1 4.15Å
388	R	97.9	Very high	96.4	Very high	28 Å²	28	44.7 Å²	44.7	11%	0.106	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	134.7	171.7	-170.1	-172.9	87.1	-173.4	8.8	110.2	L361 Y362 D390 N401 F404	L361-R388 CarbonylContact O-C 2.97Å; L361-R388 WeakPolarHBondContact O-CA 3.25Å; Y362-R388 HydrophobicContact CD1-CB 4.47Å; Y362-R388 HydrophobicContact CD1-CG 4.49Å; Y362-R388 HydrophobicContact CE1-CB 4.48Å; Y362-R388 HydrophobicContact CE1-CG 4.31Å; Y362-R388 HydrophobicContact CE2-CG 4.39Å; R388-D390 IonicContact CZ-OD1 3.6Å; R388-D390 VanDerWaalsContact CZ-OD1 3.24Å; R388-D390 IonicContact NE-OD1 3.6Å; R388-D390 PolarHBondContact NE-OD1 3.17Å; R388-D390 IonicContact NH2-OD1 3.17Å; R388-D390 PolarHBondContact NH2-OD1 2.61Å; R388-D390 IonicContact NH2-OD2 2.71Å; R388-N401 HydrophobicContact CB-CB 4.27Å; R388-N401 PolarHBondContact NH2-ND2 3.43Å; R388-N401 WeakPolarHBondContact O-CB 3.43Å; R388-N401 PolarHBondContact O-N 3.14Å; R388-F404 HydrophobicContact CB-CB 3.75Å; R388-F404 HydrophobicContact CB-CD1 3.65Å; R388-F404 HydrophobicContact CB-CD2 3.93Å; R388-F404 HydrophobicContact CB-CE1 4.27Å; R388-F404 HydrophobicContact CB-CG 3.48Å; R388-F404 VanDerWaalsContact CB-CG 3.48Å
389	I	98.6	Very high	96.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	126.7	171.6	-46.4	-55.6	0	0	0	107.4	I294 V311 L313 L361 V363 L398 T399 L400	I294-I389 HydrophobicContact CD1-CG1 4.13Å; V311-I389 HydrophobicContact CG1-CD1 4.23Å; V311-I389 HydrophobicContact CG1-CG1 4.47Å; V311-I389 HydrophobicContact CG1-CG2 4.26Å; L313-I389 HydrophobicContact CD1-CD1 3.72Å; L313-I389 HydrophobicContact CD1-CG1 4.33Å; L313-I389 HydrophobicContact CD2-CD1 3.94Å; L313-I389 HydrophobicContact CG-CD1 4.45Å; L361-I389 HydrophobicContact CB-CB 4.19Å; L361-I389 PolarHBondContact N-O 3.16Å; L361-I389 PolarHBondContact O-N 2.97Å; V363-I389 HydrophobicContact CG1-CG1 4.41Å; I389-L398 HydrophobicContact CG2-CB 3.84Å; I389-L398 HydrophobicContact CG2-CD2 4.06Å; I389-L398 HydrophobicContact CG2-CG 4.47Å; I389-T399 CarbonylContact C-O 3.54Å; I389-T399 WeakPolarHBondContact CA-O 3.49Å; I389-T399 WeakPolarHBondContact CG2-O 3.43Å; I389-L400 HydrophobicContact CD1-CB 4.23Å; I389-L400 HydrophobicContact CD1-CD1 3.65Å
390	D	98.6	Very high	96.7	Very high	53 Å²	53	46.5 Å²	46.5	28%	0.283	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	126	170.9	-61.5	-32.1	0	0	0	107.8	R388 T399 N401	R388-D390 IonicContact CZ-OD1 3.6Å; R388-D390 VanDerWaalsContact CZ-OD1 3.24Å; R388-D390 IonicContact NE-OD1 3.6Å; R388-D390 PolarHBondContact NE-OD1 3.17Å; R388-D390 IonicContact NH2-OD1 3.17Å; R388-D390 PolarHBondContact NH2-OD1 2.61Å; R388-D390 IonicContact NH2-OD2 2.71Å; D390-T399 PolarHBondContact N-O 2.93Å; D390-T399 PolarHBondContact O-N 3.38Å; D390-N401 PolarHBondContact OD2-ND2 3.21Å
391	V	98.5	Very high	96.9	Very high	13 Å²	13	44.1 Å²	44.1	8%	0.079	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128.2	-173	-178.5	0	0	0	0	109.9	Y285 L354 G358 R359 L361 A393 L398	Y285-V391 HydrophobicContact CE1-CG1 4.03Å; Y285-V391 HydrophobicContact CE1-CG2 4.43Å; Y285-V391 WeakPolarHBondContact OH-CG1 3.01Å; L354-V391 HydrophobicContact CD1-CG2 4.16Å; G358-V391 WeakPolarHBondContact O-CB 3.4Å; G358-V391 WeakPolarHBondContact O-CG1 3.18Å; R359-V391 PolarHBondContact O-N 2.78Å; L361-V391 HydrophobicContact CB-CG2 3.74Å; V391-A393 PolarHBondContact O-N 2.97Å; V391-A393 VanDerWaalsContact O-N 3.16Å; V391-L398 HydrophobicContact CG1-CD2 4.36Å; V391-L398 HydrophobicContact CG2-CD2 3.94Å
392	D	97.4	Very high	97	Very high	67 Å²	67	44.1 Å²	44.1	36%	0.358	21%	0.213	S	C	.	.			trans	-79.5	90.7	165.6	-171.9	-25.7	0	0	0	108.9	E394 R395 G396 G397	D392-E394 PolarHBondContact O-N 3.07Å; D392-E394 WeakPolarHBondContact OD1-CA 3.38Å; D392-E394 PolarHBondContact OD1-N 3.37Å; D392-R395 PolarHBondContact OD1-N 3.43Å; D392-G396 WeakPolarHBondContact O-CA 3.28Å; D392-G396 PolarHBondContact O-N 3.36Å; D392-G397 PolarHBondContact N-O 3.08Å
393	A	93.8	Very high	97	Very high	14 Å²	14	45.9 Å²	45.9	12%	0.116	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-10.5	178.8	0	0	0	0	0	113.5	R282 F283 R359 V391	R282-A393 PolarHBondContact NH1-O 3.44Å; R282-A393 VanDerWaalsContact NH1-O 3.12Å; F283-A393 WeakPolarHBondContact CE2-O 3.19Å; R359-A393 HydrophobicContact CG-CB 4.17Å; V391-A393 PolarHBondContact O-N 2.97Å; V391-A393 VanDerWaalsContact O-N 3.16Å
394	E	94.4	Very high	97.1	Very high	120 Å²	120	46.4 Å²	46.4	56%	0.561	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-38.1	-177.6	-61.9	-59.7	157.6	0	0	112.3	R282 R359 D392	R282-E394 VanDerWaalsContact CZ-O 3.29Å; R282-E394 PolarHBondContact NH1-O 3.23Å; R282-E394 PolarHBondContact NH2-O 3.07Å; R359-E394 IonicContact NH2-OE1 3.64Å; D392-E394 PolarHBondContact O-N 3.07Å; D392-E394 WeakPolarHBondContact OD1-CA 3.38Å; D392-E394 PolarHBondContact OD1-N 3.37Å
395	R	94.6	Very high	97	Very high	206 Å²	206	47.2 Å²	47.2	78%	0.777	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.4	-14.3	-176	-63.3	179.9	176.2	-176.3	-0.6	113.7	D392	D392-R395 PolarHBondContact OD1-N 3.43Å
396	G	96.3	Very high	97	Very high	12 Å²	12	47.6 Å²	47.6	12%	0.124	23%	0.234	C	C	.	.			trans	80	148.1	-161.3	0	0	0	0	0	111	D392	D392-G396 WeakPolarHBondContact O-CA 3.28Å; D392-G396 PolarHBondContact O-N 3.36Å
397	G	98	Very high	96.8	Very high	20 Å²	20	49 Å²	49	21%	0.206	24%	0.242	C	C	.	.			trans	143.4	136	-176.5	0	0	0	0	0	110.9	Q296 D392	Q296-G397 PolarHBondContact OE1-O 3.2Å; D392-G397 PolarHBondContact N-O 3.08Å
398	L	98.6	Very high	96.7	Very high	17 Å²	17	50.5 Å²	50.5	9%	0.089	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127.6	-179.9	-61.9	-178.3	0	0	0	109.1	Y285 I294 Q296 V311 I389 V391	Y285-L398 HydrophobicContact CD1-CD2 4.31Å; Y285-L398 HydrophobicContact CE1-CD2 4.01Å; I294-L398 HydrophobicContact CB-CD1 4.3Å; I294-L398 HydrophobicContact CG2-CD1 3.89Å; Q296-L398 HydrophobicContact CB-CD1 3.97Å; Q296-L398 HydrophobicContact CB-CD2 4.14Å; Q296-L398 HydrophobicContact CB-CG 4.01Å; V311-L398 HydrophobicContact CB-CB 4.21Å; V311-L398 HydrophobicContact CG1-CB 4.02Å; V311-L398 HydrophobicContact CG1-CD1 4.12Å; I389-L398 HydrophobicContact CG2-CB 3.84Å; I389-L398 HydrophobicContact CG2-CD2 4.06Å; I389-L398 HydrophobicContact CG2-CG 4.47Å; V391-L398 HydrophobicContact CG1-CD2 4.36Å; V391-L398 HydrophobicContact CG2-CD2 3.94Å
399	T	98.4	Very high	96.6	Very high	93 Å²	93	50 Å²	50	57%	0.571	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.9	124.8	174.7	-61.2	0	0	0	0	110.2	I389 D390 N401	I389-T399 CarbonylContact C-O 3.54Å; I389-T399 WeakPolarHBondContact CA-O 3.49Å; I389-T399 WeakPolarHBondContact CG2-O 3.43Å; D390-T399 PolarHBondContact N-O 2.93Å; D390-T399 PolarHBondContact O-N 3.38Å; T399-N401 PolarHBondContact O-N 3.13Å
400	L	98.3	Very high	96.1	Very high	23 Å²	23	57 Å²	57	12%	0.12	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	123.9	175.3	173.8	60.9	0	0	0	110.9	V311 L313 C338 I340 M387 I389 R402	V311-L400 HydrophobicContact CG2-CB 4.28Å; L313-L400 HydrophobicContact CD2-CB 4.27Å; L313-L400 HydrophobicContact CD2-CD1 3.81Å; L313-L400 HydrophobicContact CD2-CD2 3.93Å; L313-L400 HydrophobicContact CD2-CG 4.21Å; C338-L400 VanDerWaalsContact SG-CD2 3.59Å; I340-L400 HydrophobicContact CD1-CD1 3.81Å; I340-L400 HydrophobicContact CD1-CD2 3.95Å; I340-L400 HydrophobicContact CD1-CG 4.31Å; I340-L400 HydrophobicContact CG1-CD2 3.99Å; M387-L400 HydrophobicContact CB-CD1 4.38Å; I389-L400 HydrophobicContact CD1-CB 4.23Å; I389-L400 HydrophobicContact CD1-CD1 3.65Å; L400-R402 PolarHBondContact O-N 3.37Å
401	N	97.7	Very high	95.9	Very high	16 Å²	16	56 Å²	56	9%	0.086	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	102.5	172.5	-168.6	-77.5	0	0	0	110.6	R388 D390 T399 D403 F404	R388-N401 HydrophobicContact CB-CB 4.27Å; R388-N401 PolarHBondContact NH2-ND2 3.43Å; R388-N401 WeakPolarHBondContact O-CB 3.43Å; R388-N401 PolarHBondContact O-N 3.14Å; D390-N401 PolarHBondContact OD2-ND2 3.21Å; T399-N401 PolarHBondContact O-N 3.13Å; N401-D403 PolarHBondContact O-N 3.06Å; N401-D403 WeakPolarHBondContact OD1-CB 3.44Å; N401-D403 PolarHBondContact OD1-N 2.92Å; N401-D403 VanDerWaalsContact OD1-N 3.09Å; N401-F404 HydrophobicContact CB-CB 4.29Å; N401-F404 PolarHBondContact O-N 3.36Å; N401-F404 PolarHBondContact OD1-N 2.92Å; N401-F404 VanDerWaalsContact OD1-N 3.12Å
402	R	96	Very high	95.5	Very high	158 Å²	158	59.9 Å²	59.9	60%	0.596	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	-8.9	-177.1	-65.8	-174.5	173.8	-82.7	-0.5	114.7	I339 I340 L400	I339-R402 PolarHBondContact O-NH1 3.29Å; I340-R402 WeakPolarHBondContact CG2-O 3.33Å; L400-R402 PolarHBondContact O-N 3.37Å
403	D	95.4	Very high	95.1	Very high	119 Å²	119	64.2 Å²	64.2	64%	0.636	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	-11.3	177.4	-60.5	-39	0	0	0	112.5	L17 N401	L17-D403 WeakPolarHBondContact CD1-O 3.41Å; N401-D403 PolarHBondContact O-N 3.06Å; N401-D403 WeakPolarHBondContact OD1-CB 3.44Å; N401-D403 PolarHBondContact OD1-N 2.92Å; N401-D403 VanDerWaalsContact OD1-N 3.09Å
404	F	96.1	Very high	94.7	Very high	12 Å²	12	65 Å²	65	5%	0.053	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	114.2	-178	-168.1	-71.4	0	0	0	111.1	L17 Y362 M386 R388 N401 V406	L17-F404 HydrophobicContact CD2-CB 4.34Å; L17-F404 HydrophobicContact CD2-CD1 4.09Å; L17-F404 HydrophobicContact CD2-CD2 3.23Å; L17-F404 HydrophobicContact CD2-CE1 4.13Å; L17-F404 HydrophobicContact CD2-CE2 3.26Å; L17-F404 HydrophobicContact CD2-CG 3.64Å; L17-F404 HydrophobicContact CD2-CZ 3.72Å; Y362-F404 HydrophobicContact CD1-CE1 4.16Å; Y362-F404 HydrophobicContact CD1-CE2 4.4Å; Y362-F404 AromaticContact CD1-CZ 3.84Å; Y362-F404 HydrophobicContact CD1-CZ 3.84Å; Y362-F404 HydrophobicContact CE1-CD2 4.47Å; Y362-F404 HydrophobicContact CE1-CE1 4.18Å; Y362-F404 AromaticContact CE1-CE2 3.61Å; Y362-F404 HydrophobicContact CE1-CE2 3.61Å; Y362-F404 AromaticContact CE1-CZ 3.46Å; Y362-F404 HydrophobicContact CE1-CZ 3.46Å; Y362-F404 VanDerWaalsContact CE1-CZ 3.46Å; M386-F404 HydrophobicContact CE-CE1 3.96Å; M386-F404 HydrophobicContact CE-CZ 3.94Å; M386-F404 HydrophobicContact CG-CE1 4.2Å; M386-F404 HydrophobicContact SD-CE1 4.45Å; R388-F404 HydrophobicContact CB-CB 3.75Å; R388-F404 HydrophobicContact CB-CD1 3.65Å; R388-F404 HydrophobicContact CB-CD2 3.93Å; R388-F404 HydrophobicContact CB-CE1 4.27Å; R388-F404 HydrophobicContact CB-CG 3.48Å; R388-F404 VanDerWaalsContact CB-CG 3.48Å; N401-F404 HydrophobicContact CB-CB 4.29Å; N401-F404 PolarHBondContact O-N 3.36Å; N401-F404 PolarHBondContact OD1-N 2.92Å; N401-F404 VanDerWaalsContact OD1-N 3.12Å; F404-V406 HydrophobicContact CE1-CG2 4.3Å; F404-V406 HydrophobicContact CZ-CG2 4.4Å
405	L	96.1	Very high	94.7	Very high	17 Å²	17	62.1 Å²	62.1	9%	0.089	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	129.5	167.7	-175.8	68.9	0	0	0	108.7	I340 K341 K343 V385 M387	I340-L405 HydrophobicContact CB-CD1 4.44Å; I340-L405 HydrophobicContact CB-CD2 4.26Å; I340-L405 HydrophobicContact CD1-CD1 4.26Å; I340-L405 HydrophobicContact CG2-CB 3.83Å; I340-L405 HydrophobicContact CG2-CD2 4.37Å; I340-L405 HydrophobicContact CG2-CG 4.48Å; K341-L405 HydrophobicContact CD-CB 4.32Å; K343-L405 HydrophobicContact CB-CD2 3.92Å; K343-L405 HydrophobicContact CD-CD2 4.47Å; K343-L405 HydrophobicContact CG-CD2 4.42Å; V385-L405 HydrophobicContact CB-CD1 3.86Å; V385-L405 HydrophobicContact CG1-CD1 4.11Å; V385-L405 HydrophobicContact CG2-CD1 4.3Å; M387-L405 HydrophobicContact CG-CD1 4.15Å
406	V	95.9	Very high	94.7	Very high	8 Å²	8	54.1 Å²	54.1	5%	0.048	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.8	161.4	176.9	0	0	0	0	107.2	V19 V385 M386 F404 F408	V19-V406 HydrophobicContact CG2-CG1 4.1Å; V385-V406 CarbonylContact C-O 3.56Å; V385-V406 WeakPolarHBondContact CA-O 3.28Å; M386-V406 HydrophobicContact CB-CB 4.29Å; M386-V406 HydrophobicContact CE-CB 3.54Å; M386-V406 HydrophobicContact CE-CG1 4.13Å; M386-V406 HydrophobicContact CE-CG2 3.31Å; M386-V406 PolarHBondContact N-O 3.3Å; M386-V406 PolarHBondContact O-N 3.33Å; F404-V406 HydrophobicContact CE1-CG2 4.3Å; F404-V406 HydrophobicContact CZ-CG2 4.4Å; V406-F408 HydrophobicContact CG1-CD1 4.44Å; V406-F408 HydrophobicContact CG1-CE1 3.98Å; V406-F408 HydrophobicContact CG1-CE2 4.22Å; V406-F408 HydrophobicContact CG1-CZ 3.86Å
407	D	95.2	Very high	94.7	Very high	33 Å²	33	56.1 Å²	56.1	18%	0.176	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	107.4	-176.6	-180	4.1	0	0	0	109.8	K343 G409 Q410	K343-D407 HydrophobicContact CD-CB 4.22Å; K343-D407 VanDerWaalsContact CD-CG 3.44Å; K343-D407 WeakPolarHBondContact CD-OD2 3.36Å; K343-D407 WeakPolarHBondContact CE-OD1 3.46Å; K343-D407 WeakPolarHBondContact CE-OD2 3.48Å; K343-D407 IonicContact NZ-OD1 4Å; K343-D407 PolarHBondContact NZ-OD1 2.82Å; K343-D407 IonicContact NZ-OD2 3.56Å; K343-D407 PolarHBondContact NZ-OD2 2.82Å; D407-G409 PolarHBondContact O-N 3.23Å; D407-G409 WeakPolarHBondContact OD1-CA 3.38Å; D407-G409 PolarHBondContact OD1-N 2.82Å; D407-Q410 HydrophobicContact CB-CG 4.3Å; D407-Q410 PolarHBondContact O-N 2.84Å; D407-Q410 WeakPolarHBondContact OD2-CG 3.2Å
408	F	95.8	Very high	94.6	Very high	31 Å²	31	56 Å²	56	14%	0.136	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-82.3	-2.8	178.8	-61.3	-74.9	0	0	0	113.2	V19 S384 M386 V406 E411 A416 A418	V19-F408 HydrophobicContact CG2-CD1 4.43Å; V19-F408 HydrophobicContact CG2-CE1 4.04Å; S384-F408 WeakPolarHBondContact O-CB 3.47Å; S384-F408 PolarHBondContact O-N 3.33Å; M386-F408 HydrophobicContact CB-CE2 3.76Å; M386-F408 HydrophobicContact CB-CZ 4.33Å; V406-F408 HydrophobicContact CG1-CD1 4.44Å; V406-F408 HydrophobicContact CG1-CE1 3.98Å; V406-F408 HydrophobicContact CG1-CE2 4.22Å; V406-F408 HydrophobicContact CG1-CZ 3.86Å; F408-E411 HydrophobicContact CB-CG 4.25Å; F408-E411 HydrophobicContact CD1-CG 4.26Å; F408-E411 WeakPolarHBondContact O-CB 3.22Å; F408-E411 VanDerWaalsContact O-CG 3.28Å; F408-E411 WeakPolarHBondContact O-CG 3.21Å; F408-E411 PolarHBondContact O-N 2.84Å; F408-A416 HydrophobicContact CB-CB 4.16Å; F408-A416 WeakPolarHBondContact CB-O 3.17Å; F408-A416 PolarHBondContact O-N 2.64Å; F408-A418 HydrophobicContact CD2-CB 3.52Å; F408-A418 HydrophobicContact CE1-CB 4.45Å; F408-A418 HydrophobicContact CE2-CB 3.32Å; F408-A418 HydrophobicContact CG-CB 4.18Å; F408-A418 HydrophobicContact CZ-CB 3.83Å
409	G	93.9	Very high	94.6	Very high	19 Å²	19	55.8 Å²	55.8	20%	0.196	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-69.5	-21.1	167.6	0	0	0	0	0	114	E382 D407 E411	E382-G409 WeakPolarHBondContact O-CA 3.21Å; D407-G409 PolarHBondContact O-N 3.23Å; D407-G409 WeakPolarHBondContact OD1-CA 3.38Å; D407-G409 PolarHBondContact OD1-N 2.82Å; G409-E411 VanDerWaalsContact C-N 3.31Å
410	Q	89.8	Confident	94.4	Very high	146 Å²	146	52.6 Å²	52.6	68%	0.682	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-92.7	10.4	178.7	-56.4	-59.7	-36.3	0	0	112.7	D407	D407-Q410 HydrophobicContact CB-CG 4.3Å; D407-Q410 PolarHBondContact O-N 2.84Å; D407-Q410 WeakPolarHBondContact OD2-CG 3.2Å
411	E	93	Very high	94.3	Very high	32 Å²	32	52.8 Å²	52.8	15%	0.15	29%	0.289	C	S	.	.			trans	-65.9	139.8	175.7	-69.6	-66.9	108.3	0	0	110.1	R22 F408 G409 D413 G414 A416	R22-E411 WeakPolarHBondContact CD-OE2 3.5Å; R22-E411 IonicContact CZ-OE1 3.9Å; R22-E411 IonicContact CZ-OE2 2.68Å; R22-E411 IonicContact NE-OE1 3.92Å; R22-E411 IonicContact NE-OE2 2.85Å; R22-E411 PolarHBondContact NE-OE2 3.3Å; R22-E411 IonicContact NH2-OE1 3.7Å; R22-E411 PolarHBondContact NH2-OE1 3.12Å; R22-E411 IonicContact NH2-OE2 3.31Å; R22-E411 PolarHBondContact NH2-OE2 2.82Å; F408-E411 HydrophobicContact CB-CG 4.25Å; F408-E411 HydrophobicContact CD1-CG 4.26Å; F408-E411 WeakPolarHBondContact O-CB 3.22Å; F408-E411 VanDerWaalsContact O-CG 3.28Å; F408-E411 WeakPolarHBondContact O-CG 3.21Å; F408-E411 PolarHBondContact O-N 2.84Å; G409-E411 VanDerWaalsContact C-N 3.31Å; E411-D413 VanDerWaalsContact C-N 3.26Å; E411-D413 PolarHBondContact O-N 3.06Å; E411-G414 WeakPolarHBondContact CB-O 3.47Å; E411-G414 PolarHBondContact O-N 3.42Å; E411-G414 VanDerWaalsContact O-N 3.12Å; E411-A416 HydrophobicContact CB-CB 4.47Å; E411-A416 HydrophobicContact CG-CB 4.13Å
412	P	90.7	Very high	94.1	Very high	94 Å²	94	54 Å²	54	61%	0.61	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-29.4	-168.2	25	-34.5	0	0	0	113.6	G414	P412-G414 VanDerWaalsContact C-N 3.31Å
413	D	88.3	Confident	93.9	Very high	159 Å²	159	48.7 Å²	48.7	85%	0.85	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	11.1	-178.4	-57.6	-49.5	0	0	0	112.7	E411	E411-D413 VanDerWaalsContact C-N 3.26Å; E411-D413 PolarHBondContact O-N 3.06Å
414	G	87.1	Confident	93.4	Very high	30 Å²	30	47.3 Å²	47.3	31%	0.309	27%	0.27	S	S	.	.	S	Bend	trans	114.6	175	177.8	0	0	0	0	0	113.3	E411 P412 A416	E411-G414 WeakPolarHBondContact CB-O 3.47Å; E411-G414 PolarHBondContact O-N 3.42Å; E411-G414 VanDerWaalsContact O-N 3.12Å; P412-G414 VanDerWaalsContact C-N 3.31Å; G414-A416 PolarHBondContact O-N 3.24Å
415	P	93.3	Very high	92.9	Very high	60 Å²	60	49.5 Å²	49.5	39%	0.39	30%	0.296	S	S	.	.			trans	-60.1	121.5	179.8	24.6	-33.3	0	0	0	110.8	G383	G383-P415 VanDerWaalsContact N-CB 3.32Å
416	A	95.4	Very high	92.4	Very high	38 Å²	38	48.8 Å²	48.8	31%	0.314	29%	0.293	S	S	.	.			trans	-98	149	175.7	0	0	0	0	0	111.8	S384 F408 E411 G414	S384-A416 WeakPolarHBondContact CB-O 3.39Å; S384-A416 PolarHBondContact N-O 3Å; S384-A416 PolarHBondContact OG-O 2.98Å; F408-A416 HydrophobicContact CB-CB 4.16Å; F408-A416 WeakPolarHBondContact CB-O 3.17Å; F408-A416 PolarHBondContact O-N 2.64Å; E411-A416 HydrophobicContact CB-CB 4.47Å; E411-A416 HydrophobicContact CG-CB 4.13Å; G414-A416 PolarHBondContact O-N 3.24Å
417	L	96.3	Very high	92.2	Very high	53 Å²	53	48.4 Å²	48.4	28%	0.277	29%	0.291	S	S	.	.			trans	-107	99.2	178.1	-58.2	-178.8	0	0	0	108.7	M379 M380 S384	M379-L417 HydrophobicContact CE-CD2 4.48Å; M379-L417 HydrophobicContact CG-CD2 4.09Å; M380-L417 HydrophobicContact CE-CD1 3.86Å; M380-L417 HydrophobicContact SD-CD1 3.59Å; M380-L417 VanDerWaalsContact SD-CD1 3.59Å; M380-L417 HydrophobicContact SD-CD2 4.47Å; S384-L417 WeakPolarHBondContact OG-CA 3.2Å
418	A	96.1	Very high	92	Very high	18 Å²	18	46.9 Å²	46.9	15%	0.149	28%	0.282	C	S	.	.			trans	-82.3	131.1	178.9	0	0	0	0	0	109.7	T364 S366 S384 F408	T364-A418 VanDerWaalsContact CB-O 3.32Å; T364-A418 WeakPolarHBondContact CB-O 2.98Å; T364-A418 HydrophobicContact CG2-CB 4.07Å; T364-A418 PolarHBondContact OG1-O 2.82Å; S366-A418 VanDerWaalsContact CB-O 3.29Å; S366-A418 WeakPolarHBondContact CB-O 3.49Å; S366-A418 PolarHBondContact N-O 3.43Å; S384-A418 PolarHBondContact OG-N 3.48Å; F408-A418 HydrophobicContact CD2-CB 3.52Å; F408-A418 HydrophobicContact CE1-CB 4.45Å; F408-A418 HydrophobicContact CE2-CB 3.32Å; F408-A418 HydrophobicContact CG-CB 4.18Å; F408-A418 HydrophobicContact CZ-CB 3.83Å
419	H	97.1	Very high	91.8	Very high	12 Å²	12	45.5 Å²	45.5	6%	0.056	28%	0.277	C	S	.	.			trans	-113	-104.2	-178.6	-166.1	92.6	0	0	0	110	H33 H34 Q350 M351 T364 S366 L367	H33-H419 VanDerWaalsContact C-CD2 3.49Å; H33-H419 AromaticContact CD2-CD2 3.89Å; H33-H419 AromaticContact CD2-CE1 3.48Å; H33-H419 PolarHBondContact CD2-CE1 2.73Å; H33-H419 VanDerWaalsContact CD2-CE1 3.48Å; H33-H419 AromaticContact CD2-NE2 3.19Å; H33-H419 PolarHBondContact CD2-NE2 2.57Å; H33-H419 AromaticContact CE1-CE1 3.23Å; H33-H419 PolarHBondContact CE1-CE1 3.06Å; H33-H419 AromaticContact CE1-ND1 3.81Å; H33-H419 AromaticContact CE1-NE2 3.78Å; H33-H419 AromaticContact CG-CD2 3.95Å; H33-H419 AromaticContact CG-CE1 3.78Å; H33-H419 AromaticContact CG-NE2 3.66Å; H33-H419 AromaticContact ND1-CE1 3.6Å; H33-H419 AromaticContact ND1-ND1 3.86Å; H33-H419 AromaticContact ND1-NE2 3.96Å; H33-H419 AromaticContact NE2-CE1 3.14Å; H33-H419 PolarHBondContact NE2-CE1 3.36Å; H33-H419 AromaticContact NE2-NE2 3.32Å; H33-H419 PolarHBondContact NE2-NE2 3.12Å; H33-H419 PolarHBondContact O-CD2 3.21Å; H34-H419 AromaticContact NE2-NE2 3.96Å; Q350-H419 PolarHBondContact NE2-CE1 3.27Å; Q350-H419 PolarHBondContact NE2-NE2 3.02Å; M351-H419 WeakPolarHBondContact CB-O 3.25Å; M351-H419 VanDerWaalsContact CG-CD2 3.45Å; M351-H419 WeakPolarHBondContact CG-CD2 3.39Å; M351-H419 WeakPolarHBondContact CG-NE2 3.5Å; M351-H419 PolarHBondContact SD-NE2 3.22Å; T364-H419 WeakPolarHBondContact CB-O 3.19Å; T364-H419 WeakPolarHBondContact CG2-O 3.4Å; T364-H419 PolarHBondContact OG1-O 3.1Å; S366-H419 PolarHBondContact O-ND1 3.01Å; L367-H419 PolarHBondContact O-CE1 3.4Å; L367-H419 PolarHBondContact O-ND1 3.02Å
420	E	96	Very high	91.6	Very high	27 Å²	27	44.8 Å²	44.8	13%	0.126	27%	0.268	C	S	.	.			trans	-77.4	151	-175.6	-163.6	-175.5	-125.2	0	0	113.1	H33 H34 S35 M351 R422	H33-E420 WeakPolarHBondContact O-CB 3.28Å; H34-E420 WeakPolarHBondContact CA-OE2 3.44Å; H34-E420 IonicContact CE1-OE1 3.73Å; H34-E420 IonicContact CG-OE1 3.66Å; H34-E420 IonicContact ND1-OE1 3.61Å; H34-E420 PolarHBondContact ND1-OE1 3.1Å; S35-E420 VanDerWaalsContact CA-OE2 3.29Å; S35-E420 WeakPolarHBondContact CA-OE2 3.14Å; S35-E420 WeakPolarHBondContact CB-OE2 3.26Å; S35-E420 PolarHBondContact N-OE2 3.04Å; S35-E420 PolarHBondContact OG-OE2 2.72Å; M351-E420 HydrophobicContact CE-CB 4.22Å; M351-E420 HydrophobicContact CE-CG 3.86Å; E420-R422 IonicContact OE1-CZ 2.7Å; E420-R422 IonicContact OE1-NE 3.65Å; E420-R422 IonicContact OE1-NH2 3.22Å; E420-R422 PolarHBondContact OE1-NH2 3.04Å; E420-R422 IonicContact OE2-CZ 3.62Å; E420-R422 IonicContact OE2-NE 3.35Å; E420-R422 PolarHBondContact OE2-NE 3.04Å; E420-R422 VanDerWaalsContact OE2-NE 3.16Å; E420-R422 IonicContact OE2-NH2 2.72Å
421	L	95.1	Very high	91.6	Very high	27 Å²	27	38.1 Å²	38.1	14%	0.141	24%	0.238	C	C	.	.			trans	-116.1	134.9	176	-59.5	170.9	0	0	0	109.6	Q353 T364 M386	Q353-L421 HydrophobicContact CB-CB 3.99Å; Q353-L421 HydrophobicContact CB-CD1 4.3Å; Q353-L421 HydrophobicContact CG-CB 4.4Å; Q353-L421 PolarHBondContact OE1-O 3.42Å; T364-L421 HydrophobicContact CG2-CD1 3.95Å; T364-L421 HydrophobicContact CG2-CD2 3.79Å; T364-L421 HydrophobicContact CG2-CG 3.82Å; M386-L421 HydrophobicContact CG-CD1 4.25Å; M386-L421 HydrophobicContact SD-CD1 4.03Å; M386-L421 HydrophobicContact SD-CD2 3.76Å
422	R	94	Very high	91.5	Very high	40 Å²	40	36.7 Å²	36.7	15%	0.151	23%	0.231	C	C	.	.			trans	-125.2	135.3	172	-67.6	-62.8	-178.2	-171.9	-2.2	112.6	S35 W37 L54 E420 D427 T429	S35-R422 PolarHBondContact O-NE 2.83Å; S35-R422 PolarHBondContact O-NH2 3.24Å; S35-R422 VanDerWaalsContact O-NH2 3.09Å; S35-R422 WeakPolarHBondContact OG-CG 3.47Å; W37-R422 HydrophobicContact CZ2-CB 4.07Å; L54-R422 HydrophobicContact CD1-CB 4.21Å; L54-R422 HydrophobicContact CD1-CG 4.17Å; E420-R422 IonicContact OE1-CZ 2.7Å; E420-R422 IonicContact OE1-NE 3.65Å; E420-R422 IonicContact OE1-NH2 3.22Å; E420-R422 PolarHBondContact OE1-NH2 3.04Å; E420-R422 IonicContact OE2-CZ 3.62Å; E420-R422 IonicContact OE2-NE 3.35Å; E420-R422 PolarHBondContact OE2-NE 3.04Å; E420-R422 VanDerWaalsContact OE2-NE 3.16Å; E420-R422 IonicContact OE2-NH2 2.72Å; R422-D427 IonicContact NH1-OD1 2.72Å; R422-D427 PolarHBondContact NH1-OD1 3.1Å; R422-T429 PolarHBondContact NH1-O 3.1Å; R422-T429 PolarHBondContact NH1-OG1 3.22Å
423	Y	90.9	Very high	91.3	Very high	48 Å²	48	35.7 Å²	35.7	19%	0.188	22%	0.215	C	C	.	.			trans	-90.1	136.3	179.6	-68.6	8.1	0	0	0	109.8	W37 Q353 Y362 G425 G426 D427	W37-Y423 VanDerWaalsContact CZ2-O 3.24Å; W37-Y423 WeakPolarHBondContact CZ2-O 3.37Å; Q353-Y423 HydrophobicContact CB-CE1 4.17Å; Q353-Y423 HydrophobicContact CG-CD1 4.15Å; Q353-Y423 HydrophobicContact CG-CE1 3.62Å; Q353-Y423 PolarHBondContact O-OH 2.84Å; Y362-Y423 HydrophobicContact CD2-CE1 4.46Å; Y362-Y423 AromaticContact CD2-CZ 3.88Å; Y362-Y423 WeakPolarHBondContact CD2-OH 3.22Å; Y362-Y423 WeakPolarHBondContact CE2-OH 3.38Å; Y423-G425 PolarHBondContact O-N 3.45Å; Y423-G426 WeakPolarHBondContact CB-O 3.29Å; Y423-G426 PolarHBondContact O-N 2.87Å; Y423-D427 HydrophobicContact CD2-CB 4.05Å; Y423-D427 HydrophobicContact CG-CB 4.05Å; Y423-D427 PolarHBondContact N-OD2 3.12Å
424	P	86.4	Confident	91.1	Very high	90 Å²	90	31.4 Å²	31.4	58%	0.584	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-32.4	-178.6	-26.9	34.1	0	0	0	114
425	G	84.4	Confident	91.3	Very high	58 Å²	58	31.5 Å²	31.5	60%	0.598	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	4.3	178.7	0	0	0	0	0	114.8	R51 Y423	R51-G425 PolarHBondContact NH1-O 2.97Å; Y423-G425 PolarHBondContact O-N 3.45Å
426	G	86.5	Confident	91.2	Very high	2 Å²	2	30 Å²	30	2%	0.021	18%	0.178	C	C	.	.			trans	87	162.9	-170	0	0	0	0	0	112.3	R51 Y423 S430	R51-G426 VanDerWaalsContact NH1-CA 3.28Å; Y423-G426 WeakPolarHBondContact CB-O 3.29Å; Y423-G426 PolarHBondContact O-N 2.87Å; G426-S430 WeakPolarHBondContact CA-OG 3.33Å
427	D	90.6	Very high	91	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.171	C	C	.	.			trans	-149.6	174.6	-173.1	52	62.9	0	0	0	110.1	Q353 R422 Y423 T429 S430	Q353-D427 HydrophobicContact CG-CB 3.97Å; Q353-D427 VanDerWaalsContact NE2-CB 3.27Å; Q353-D427 PolarHBondContact NE2-OD1 2.98Å; R422-D427 IonicContact NH1-OD1 2.72Å; R422-D427 PolarHBondContact NH1-OD1 3.1Å; Y423-D427 HydrophobicContact CD2-CB 4.05Å; Y423-D427 HydrophobicContact CG-CB 4.05Å; Y423-D427 PolarHBondContact N-OD2 3.12Å; D427-T429 PolarHBondContact O-N 2.76Å; D427-T429 PolarHBondContact OD1-N 3.41Å; D427-T429 PolarHBondContact OD1-OG1 2.71Å; D427-S430 PolarHBondContact N-OG 2.78Å; D427-S430 PolarHBondContact O-N 2.72Å; D427-S430 PolarHBondContact O-OG 2.75Å; D427-S430 VanDerWaalsContact OD1-CB 3.24Å; D427-S430 WeakPolarHBondContact OD1-CB 3.29Å; D427-S430 PolarHBondContact OD1-N 3.18Å; D427-S430 VanDerWaalsContact OD1-N 3.12Å; D427-S430 PolarHBondContact OD1-OG 3.21Å
428	C	90.7	Very high	90.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-3.4	-173.3	65.6	0	0	0	0	114.7	H218 L279	H218-C428 PolarHBondContact CE1-O 3.3Å; L279-C428 HydrophobicContact CD2-CB 4.03Å; L279-C428 HydrophobicContact CG-CB 4.38Å
429	T	92.4	Very high	90.3	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.018	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	-0.2	178	57.4	0	0	0	0	112.3	L276 Q353 R422 D427	L276-T429 HydrophobicContact CB-CG2 3.72Å; Q353-T429 PolarHBondContact NE2-OG1 2.81Å; Q353-T429 PolarHBondContact OE1-OG1 3.36Å; R422-T429 PolarHBondContact NH1-O 3.1Å; R422-T429 PolarHBondContact NH1-OG1 3.22Å; D427-T429 PolarHBondContact O-N 2.76Å; D427-T429 PolarHBondContact OD1-N 3.41Å; D427-T429 PolarHBondContact OD1-OG1 2.71Å
430	S	89.9	Confident	89.8	Confident	3 Å²	3	29.9 Å²	29.9	2%	0.021	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-16.1	-174.9	70	0	0	0	0	114.6	G426 D427	G426-S430 WeakPolarHBondContact CA-OG 3.33Å; D427-S430 PolarHBondContact N-OG 2.78Å; D427-S430 PolarHBondContact O-N 2.72Å; D427-S430 PolarHBondContact O-OG 2.75Å; D427-S430 VanDerWaalsContact OD1-CB 3.24Å; D427-S430 WeakPolarHBondContact OD1-CB 3.29Å; D427-S430 PolarHBondContact OD1-N 3.18Å; D427-S430 VanDerWaalsContact OD1-N 3.12Å; D427-S430 PolarHBondContact OD1-OG 3.21Å
431	D	90.5	Very high	89.4	Confident	7 Å²	7	30.1 Å²	30.1	4%	0.037	18%	0.176	C	C	.	.			trans	-119.1	141.1	-170.4	-77	-103	0	0	0	110.8	S41 R51 W433	S41-D431 VanDerWaalsContact CB-OD1 3.3Å; S41-D431 WeakPolarHBondContact CB-OD1 3.4Å; S41-D431 PolarHBondContact N-OD1 2.92Å; S41-D431 PolarHBondContact OG-OD1 2.82Å; R51-D431 IonicContact CZ-OD1 3.71Å; R51-D431 IonicContact CZ-OD2 3.24Å; R51-D431 IonicContact NH2-OD1 3.36Å; R51-D431 PolarHBondContact NH2-OD1 3.07Å; R51-D431 IonicContact NH2-OD2 3.41Å; R51-D431 PolarHBondContact NH2-OD2 2.92Å; D431-W433 HydrophobicContact CB-CH2 3.64Å; D431-W433 HydrophobicContact CB-CZ2 3.66Å; D431-W433 HydrophobicContact CB-CZ3 4.15Å; D431-W433 WeakPolarHBondContact O-CZ3 3.27Å
432	I	89.1	Confident	89	Confident	2 Å²	2	30.4 Å²	30.4	1%	0.01	18%	0.179	C	C	.	.			trans	-121.2	125.5	171.5	-65.1	170.8	0	0	0	106.4	S41 S42 W151 Y152	S41-I432 CarbonylContact C-O 3.58Å; S42-I432 WeakPolarHBondContact CA-O 3.29Å; S42-I432 PolarHBondContact N-O 2.76Å; W151-I432 HydrophobicContact CZ2-CG1 3.97Å; Y152-I432 HydrophobicContact CD1-CD1 3.55Å; Y152-I432 HydrophobicContact CD2-CD1 4.28Å; Y152-I432 HydrophobicContact CD2-CG2 4.25Å; Y152-I432 HydrophobicContact CE1-CD1 3.21Å; Y152-I432 HydrophobicContact CE2-CB 4.41Å; Y152-I432 HydrophobicContact CE2-CD1 3.97Å; Y152-I432 HydrophobicContact CE2-CG2 3.81Å; Y152-I432 HydrophobicContact CG-CD1 4.08Å; Y152-I432 VanDerWaalsContact CZ-CD1 3.42Å; Y152-I432 WeakPolarHBondContact O-CG2 3.46Å
433	W	88.3	Confident	88.5	Confident	72 Å²	72	29.6 Å²	29.6	27%	0.273	18%	0.181	S	C	.	.			trans	-92.3	142.6	-178.8	-64.1	-91.5	0	0	0	110.3	H218 L279 D431	H218-W433 HydrophobicContact CB-CE3 4.12Å; H218-W433 HydrophobicContact CB-CZ3 4.05Å; H218-W433 AromaticContact CG-CZ3 3.86Å; H218-W433 AromaticContact ND1-CE3 3.94Å; H218-W433 AromaticContact ND1-CH2 3.83Å; H218-W433 AromaticContact ND1-CZ3 3.13Å; H218-W433 WeakPolarHBondContact ND1-CZ3 3.38Å; L279-W433 HydrophobicContact CD2-CH2 3.34Å; L279-W433 HydrophobicContact CD2-CZ2 3.78Å; L279-W433 HydrophobicContact CD2-CZ3 4.21Å; D431-W433 HydrophobicContact CB-CH2 3.64Å; D431-W433 HydrophobicContact CB-CZ2 3.66Å; D431-W433 HydrophobicContact CB-CZ3 4.15Å; D431-W433 WeakPolarHBondContact O-CZ3 3.27Å
434	V	82.9	Confident	88.3	Confident	70 Å²	70	27.9 Å²	27.9	42%	0.424	18%	0.181	S	C	.	.			trans	-117.6	0	-172.8	-67.8	0	0	0	0	113.5	P154 R155	P154-V434 HydrophobicContact CG-CG1 4.1Å; R155-V434 WeakPolarHBondContact CG-OXT 3.31Å; R155-V434 PolarHBondContact NE-OXT 2.6Å; R155-V434 VanDerWaalsContact NH2-C 3.27Å; R155-V434 PolarHBondContact NH2-O 3.31Å; R155-V434 PolarHBondContact NH2-OXT 3.03Å

Retrieved 434 of 434 residues in 697.8 ms (Link to these results)

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