Z4YLB0_MOUSE Loading...

ABO, alpha 1-3-N-acetylgalactosaminyltransferase and alpha 1-3-galactosyltransferase

AlphaFold DB , UniProt , Accession Z4YLB0, Species MOUSE (Mus musculus, Mouse), Gene Abo, Length 334 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.7	Very low	38	Very low	224 Å²	224	160.3 Å²	160.3	100%	1.103	82%	0.818	S	S	*	*				0	110.5	0	-165.9	-177.8	-67.9	0	0	107
2	I	34.7	Very low	38.2	Very low	159 Å²	159	159.5 Å²	159.5	82%	0.815	82%	0.817	S	S	*	*			trans	71	150.1	164.3	-51.4	157.4	0	0	0	115.6
3	D	33.2	Very low	38.9	Very low	128 Å²	128	161.2 Å²	161.2	68%	0.684	82%	0.816	S	S	*	*			cis	-171.7	147.1	-44.7	-157.8	-1.6	0	0	0	105.2
4	L	39.1	Very low	39	Very low	118 Å²	118	159.2 Å²	159.2	62%	0.618	81%	0.807	S	S	*	*			trans	27.6	127.2	155.7	-74	156.4	0	0	0	122	L6	L4-L6 HydrophobicContact CD2-CD1 3.78Å; L4-L6 HydrophobicContact CD2-CG 4.28Å
5	R	35.1	Very low	39.4	Very low	255 Å²	255	158.4 Å²	158.4	96%	0.962	80%	0.799	S	S	*	*				-141.8	128.8	115.1	-75.6	-157	-172.8	-159.1	1	112.6
6	L	46.1	Very low	40.3	Very low	143 Å²	143	157.9 Å²	157.9	75%	0.749	80%	0.798	S	S	*	*			trans	-67.5	143.2	178.4	-74.7	102.4	0	0	0	113.6	L4	L4-L6 HydrophobicContact CD2-CD1 3.78Å; L4-L6 HydrophobicContact CD2-CG 4.28Å
7	G	34.7	Very low	40.8	Very low	76 Å²	76	151.3 Å²	151.3	78%	0.784	78%	0.779	S	S	*	*			trans	-127.2	107.8	153.6	0	0	0	0	0	110.1
8	R	39.5	Very low	41.7	Very low	228 Å²	228	148.3 Å²	148.3	86%	0.86	76%	0.763	S	S	*	*			trans	-67.6	144.5	171	-79	-178.4	178.3	-174.9	-0.6	110.4	K10	R8-K10 PolarHBondContact O-N 3.36Å
9	P	38.7	Very low	42.3	Very low	128 Å²	128	147.7 Å²	147.7	83%	0.831	76%	0.761	S	S	*	*			trans	-74.8	122.5	162.1	26.8	-21.8	0	0	0	109.2	C11	P9-C11 PolarHBondContact O-N 2.83Å
10	K	38	Very low	43	Very low	191 Å²	191	144.2 Å²	144.2	83%	0.83	75%	0.748	S	S	*	*			trans	-73.7	115.2	167.7	-80.2	-178.6	176.6	177.7	0	108.4	R8 N12	R8-K10 PolarHBondContact O-N 3.36Å; K10-N12 PolarHBondContact O-N 3.28Å
11	C	44.4	Very low	44	Very low	113 Å²	113	144.4 Å²	144.4	76%	0.764	74%	0.743	S	S	*	*			trans	-66.9	105	166.3	-156.1	0	0	0	0	107.9	P9 F13	P9-C11 PolarHBondContact O-N 2.83Å; C11-F13 PolarHBondContact O-N 3.05Å
12	N	39.8	Very low	45.4	Very low	151 Å²	151	136 Å²	136	81%	0.807	71%	0.709	S	S	*	*			trans	-85.6	99.4	171.5	-85.6	-3.1	0	0	0	108.9	K10	K10-N12 PolarHBondContact O-N 3.28Å
13	F	47.1	Very low	47	Very low	181 Å²	181	132.4 Å²	132.4	79%	0.794	70%	0.695	S	S	*	*			trans	-60.7	150	156.6	-102.2	-100.1	0	0	0	110.3	C11	C11-F13 PolarHBondContact O-N 3.05Å
14	L	40.8	Very low	48.7	Very low	134 Å²	134	133.2 Å²	133.2	70%	0.702	69%	0.693	S	S	*	*			trans	80.6	104.1	171.4	-72	112.5	0	0	0	118.2
15	H	45.7	Very low	50.2	Low	147 Å²	147	130.3 Å²	130.3	68%	0.681	68%	0.68	S	S	*	*				-132.8	64	101.7	-104.2	-59.9	0	0	0	110.4	G17 I18	H15-G17 PolarHBondContact O-N 3.15Å; H15-G17 VanDerWaalsContact O-N 3.08Å; H15-I18 HydrophobicContact CB-CB 4.42Å; H15-I18 HydrophobicContact CB-CD1 3.6Å; H15-I18 HydrophobicContact CB-CG1 3.83Å; H15-I18 PolarHBondContact O-N 3.42Å
16	L	52.7	Low	51.9	Low	150 Å²	150	124.4 Å²	124.4	79%	0.785	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-6.6	177	-154	72.5	0	0	0	113.1	P20	L16-P20 VanDerWaalsContact O-CD 3.25Å; L16-P20 WeakPolarHBondContact O-CD 3.33Å; L16-P20 VanDerWaalsContact O-CG 3.3Å; L16-P20 WeakPolarHBondContact O-CG 3.48Å
17	G	50.1	Low	53.1	Low	46 Å²	46	122.3 Å²	122.3	47%	0.474	66%	0.659	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.3	-17.4	176.4	0	0	0	0	0	115.5	H15 F21	H15-G17 PolarHBondContact O-N 3.15Å; H15-G17 VanDerWaalsContact O-N 3.08Å; G17-F21 VanDerWaalsContact O-CB 3.28Å; G17-F21 WeakPolarHBondContact O-CB 3.45Å; G17-F21 PolarHBondContact O-N 2.91Å
18	I	55.8	Low	54.9	Low	97 Å²	97	124.3 Å²	124.3	50%	0.497	65%	0.647	S	S	.	*	H	α-helix	trans	-80	-39.6	-175.2	-60.4	-178.5	0	0	0	111	H15 F21 A22	H15-I18 HydrophobicContact CB-CB 4.42Å; H15-I18 HydrophobicContact CB-CD1 3.6Å; H15-I18 HydrophobicContact CB-CG1 3.83Å; H15-I18 PolarHBondContact O-N 3.42Å; I18-F21 PolarHBondContact O-N 3.1Å; I18-A22 WeakPolarHBondContact O-CB 3.45Å; I18-A22 PolarHBondContact O-N 3.43Å
19	L	53.7	Low	56.1	Low	138 Å²	138	119.9 Å²	119.9	72%	0.723	63%	0.634	S	S	*	*	H	α-helix	trans	-64	-48.4	178.9	-147.1	82.8	0	0	0	113.2	F21 A22 V23	L19-F21 VanDerWaalsContact C-N 3.33Å; L19-F21 PolarHBondContact O-N 3.37Å; L19-A22 PolarHBondContact O-N 2.96Å; L19-V23 WeakPolarHBondContact O-CG2 3.32Å; L19-V23 PolarHBondContact O-N 3.09Å; L19-V23 VanDerWaalsContact O-N 3.12Å
20	P	56.9	Low	57.4	Low	77 Å²	77	115.2 Å²	115.2	50%	0.5	61%	0.609	S	S	.	*	H	α-helix	trans	-68	-31.9	177	24.4	-32.3	0	0	0	112.5	L16 V23 F24	L16-P20 VanDerWaalsContact O-CD 3.25Å; L16-P20 WeakPolarHBondContact O-CD 3.33Å; L16-P20 VanDerWaalsContact O-CG 3.3Å; L16-P20 WeakPolarHBondContact O-CG 3.48Å; P20-V23 PolarHBondContact O-N 3.37Å; P20-F24 WeakPolarHBondContact O-CB 3.16Å; P20-F24 PolarHBondContact O-N 3.09Å
21	F	62.8	Low	58.6	Low	148 Å²	148	114.2 Å²	114.2	65%	0.649	60%	0.601	S	S	*	*	H	α-helix	trans	-69.1	-41.8	176.7	-165.9	-97.7	0	0	0	112	G17 I18 L19 V23 F24 V25	G17-F21 VanDerWaalsContact O-CB 3.28Å; G17-F21 WeakPolarHBondContact O-CB 3.45Å; G17-F21 PolarHBondContact O-N 2.91Å; I18-F21 PolarHBondContact O-N 3.1Å; L19-F21 VanDerWaalsContact C-N 3.33Å; L19-F21 PolarHBondContact O-N 3.37Å; F21-V23 VanDerWaalsContact C-N 3.35Å; F21-V23 PolarHBondContact O-N 3.1Å; F21-F24 PolarHBondContact O-N 2.75Å; F21-V25 HydrophobicContact CD1-CG2 4.13Å; F21-V25 HydrophobicContact CE1-CG2 3.93Å; F21-V25 HydrophobicContact CZ-CG2 4.44Å; F21-V25 VanDerWaalsContact O-CG2 3.32Å; F21-V25 WeakPolarHBondContact O-CG2 3.31Å; F21-V25 PolarHBondContact O-N 3.37Å
22	A	64.8	Low	59.4	Low	47 Å²	47	112.3 Å²	112.3	39%	0.388	58%	0.583	S	S	.	*	H	α-helix	trans	-63.5	-39.4	175	0	0	0	0	0	112.3	I18 L19 L26	I18-A22 WeakPolarHBondContact O-CB 3.45Å; I18-A22 PolarHBondContact O-N 3.43Å; L19-A22 PolarHBondContact O-N 2.96Å; A22-L26 WeakPolarHBondContact O-CG 3.34Å; A22-L26 PolarHBondContact O-N 3.28Å
23	V	68.2	Low	60.3	Low	84 Å²	84	112.5 Å²	112.5	51%	0.509	58%	0.577	S	S	.	*	H	α-helix	trans	-65.8	-41.6	174.1	173.9	0	0	0	0	110.9	L19 P20 F21 V25 L26 V27	L19-V23 WeakPolarHBondContact O-CG2 3.32Å; L19-V23 PolarHBondContact O-N 3.09Å; L19-V23 VanDerWaalsContact O-N 3.12Å; P20-V23 PolarHBondContact O-N 3.37Å; F21-V23 VanDerWaalsContact C-N 3.35Å; F21-V23 PolarHBondContact O-N 3.1Å; V23-V25 PolarHBondContact O-N 3.42Å; V23-L26 PolarHBondContact O-N 3Å; V23-V27 HydrophobicContact CG1-CG2 4.3Å; V23-V27 VanDerWaalsContact O-CG2 3.3Å; V23-V27 WeakPolarHBondContact O-CG2 3.14Å; V23-V27 PolarHBondContact O-N 3.03Å
24	F	68.6	Low	60.6	Low	146 Å²	146	109.6 Å²	109.6	64%	0.64	57%	0.569	S	S	*	*	H	α-helix	trans	-64	-41.8	178.2	-154.8	-91.1	0	0	0	111.9	P20 F21 V27 F28	P20-F24 WeakPolarHBondContact O-CB 3.16Å; P20-F24 PolarHBondContact O-N 3.09Å; F21-F24 PolarHBondContact O-N 2.75Å; F24-V27 PolarHBondContact O-N 2.78Å; F24-F28 HydrophobicContact CE1-CD2 4.44Å; F24-F28 WeakPolarHBondContact O-CB 3.4Å; F24-F28 PolarHBondContact O-N 3.03Å
25	V	71.6	Confident	61	Low	57 Å²	57	105.5 Å²	105.5	35%	0.345	55%	0.552	S	S	.	*	H	α-helix	trans	-63.8	-43.5	175.5	172.7	0	0	0	0	110.9	F21 V23 F28 F29	F21-V25 HydrophobicContact CD1-CG2 4.13Å; F21-V25 HydrophobicContact CE1-CG2 3.93Å; F21-V25 HydrophobicContact CZ-CG2 4.44Å; F21-V25 VanDerWaalsContact O-CG2 3.32Å; F21-V25 WeakPolarHBondContact O-CG2 3.31Å; F21-V25 PolarHBondContact O-N 3.37Å; V23-V25 PolarHBondContact O-N 3.42Å; V25-F28 PolarHBondContact O-N 3.22Å; V25-F29 HydrophobicContact CG1-CD2 3.68Å; V25-F29 HydrophobicContact CG1-CE2 3.99Å; V25-F29 WeakPolarHBondContact O-CB 3.36Å; V25-F29 WeakPolarHBondContact O-CD2 3.48Å; V25-F29 PolarHBondContact O-N 3.06Å
26	L	70.9	Confident	61	Low	130 Å²	130	104.2 Å²	104.2	68%	0.681	55%	0.545	S	S	*	.	H	α-helix	trans	-66	-39.3	177.7	-77.7	165.5	0	0	0	113	A22 V23 G30	A22-L26 WeakPolarHBondContact O-CG 3.34Å; A22-L26 PolarHBondContact O-N 3.28Å; V23-L26 PolarHBondContact O-N 3Å; L26-G30 WeakPolarHBondContact O-CA 3.29Å; L26-G30 PolarHBondContact O-N 3.46Å
27	V	70.7	Confident	60.5	Low	99 Å²	99	105 Å²	105	60%	0.6	54%	0.537	S	S	*	.	H	α-helix	trans	-69.2	-41.3	175.6	173.4	0	0	0	0	110.7	V23 F24 G30 Y31	V23-V27 HydrophobicContact CG1-CG2 4.3Å; V23-V27 VanDerWaalsContact O-CG2 3.3Å; V23-V27 WeakPolarHBondContact O-CG2 3.14Å; V23-V27 PolarHBondContact O-N 3.03Å; F24-V27 PolarHBondContact O-N 2.78Å; V27-G30 PolarHBondContact O-N 2.97Å; V27-Y31 VanDerWaalsContact O-CB 3.22Å; V27-Y31 WeakPolarHBondContact O-CB 3.46Å; V27-Y31 PolarHBondContact O-N 2.96Å
28	F	71.7	Confident	60.2	Low	118 Å²	118	107.2 Å²	107.2	52%	0.518	55%	0.545	S	S	.	.	H	α-helix	trans	-68.9	-44.7	-179.2	-161.5	-98.7	0	0	0	111.8	F24 V25 Y31 L32	F24-F28 HydrophobicContact CE1-CD2 4.44Å; F24-F28 WeakPolarHBondContact O-CB 3.4Å; F24-F28 PolarHBondContact O-N 3.03Å; V25-F28 PolarHBondContact O-N 3.22Å; F28-Y31 PolarHBondContact O-N 3.45Å; F28-L32 HydrophobicContact CD1-CD1 3.5Å; F28-L32 HydrophobicContact CE1-CD1 3.39Å; F28-L32 HydrophobicContact CG-CD1 4.47Å; F28-L32 HydrophobicContact CZ-CD1 4.29Å; F28-L32 WeakPolarHBondContact O-CB 3.38Å; F28-L32 PolarHBondContact O-N 3.47Å
29	F	65.8	Low	59.8	Low	135 Å²	135	109.1 Å²	109.1	59%	0.592	55%	0.552	S	S	*	*	H	α-helix	trans	-72.2	-33.5	174.5	-84.1	-86.1	0	0	0	112.6	V25 L32 F33	V25-F29 HydrophobicContact CG1-CD2 3.68Å; V25-F29 HydrophobicContact CG1-CE2 3.99Å; V25-F29 WeakPolarHBondContact O-CB 3.36Å; V25-F29 WeakPolarHBondContact O-CD2 3.48Å; V25-F29 PolarHBondContact O-N 3.06Å; F29-L32 PolarHBondContact O-N 2.53Å; F29-F33 WeakPolarHBondContact O-CB 3.38Å; F29-F33 PolarHBondContact O-N 2.99Å
30	G	64.7	Low	59.2	Low	30 Å²	30	108.3 Å²	108.3	31%	0.309	55%	0.548	S	S	.	.	H	α-helix	trans	-63.2	-42.5	171.3	0	0	0	0	0	112.2	L26 V27 F33 L34	L26-G30 WeakPolarHBondContact O-CA 3.29Å; L26-G30 PolarHBondContact O-N 3.46Å; V27-G30 PolarHBondContact O-N 2.97Å; G30-F33 PolarHBondContact O-N 3.02Å; G30-L34 WeakPolarHBondContact O-CB 3.37Å; G30-L34 WeakPolarHBondContact O-CD1 3.25Å; G30-L34 WeakPolarHBondContact O-CG 3.14Å; G30-L34 PolarHBondContact O-N 2.91Å
31	Y	65.1	Low	58.5	Low	170 Å²	170	110.1 Å²	110.1	67%	0.667	55%	0.553	S	S	*	*	H	α-helix	trans	-66.7	-43.1	174.9	-172.6	-95.1	0	0	0	112	V27 F28 L34 S35	V27-Y31 VanDerWaalsContact O-CB 3.22Å; V27-Y31 WeakPolarHBondContact O-CB 3.46Å; V27-Y31 PolarHBondContact O-N 2.96Å; F28-Y31 PolarHBondContact O-N 3.45Å; Y31-L34 PolarHBondContact O-N 3.46Å; Y31-S35 WeakPolarHBondContact O-CB 3.36Å; Y31-S35 PolarHBondContact O-N 3.19Å
32	L	60.7	Low	57.3	Low	74 Å²	74	106 Å²	106	39%	0.387	55%	0.552	S	S	.	*	H	α-helix	trans	-62.9	-42	174.1	-90.8	154.1	0	0	0	111.8	F28 F29 S35 F36	F28-L32 HydrophobicContact CD1-CD1 3.5Å; F28-L32 HydrophobicContact CE1-CD1 3.39Å; F28-L32 HydrophobicContact CG-CD1 4.47Å; F28-L32 HydrophobicContact CZ-CD1 4.29Å; F28-L32 WeakPolarHBondContact O-CB 3.38Å; F28-L32 PolarHBondContact O-N 3.47Å; F29-L32 PolarHBondContact O-N 2.53Å; L32-S35 PolarHBondContact O-N 3.44Å; L32-F36 WeakPolarHBondContact O-CB 3.07Å; L32-F36 PolarHBondContact O-N 2.87Å
33	F	57.9	Low	56.4	Low	154 Å²	154	111.3 Å²	111.3	68%	0.675	57%	0.569	S	S	*	*	H	α-helix	trans	-68	-39.1	178.3	-161.9	-94.8	0	0	0	112	F29 G30 R37	F29-F33 WeakPolarHBondContact O-CB 3.38Å; F29-F33 PolarHBondContact O-N 2.99Å; G30-F33 PolarHBondContact O-N 3.02Å; F33-R37 VanDerWaalsContact O-CB 3.28Å; F33-R37 WeakPolarHBondContact O-CB 3.46Å; F33-R37 PolarHBondContact O-N 3.44Å
34	L	53	Low	55.2	Low	120 Å²	120	112.7 Å²	112.7	63%	0.628	58%	0.579	S	S	*	*	H	α-helix	trans	-66.1	-40.8	172	-76.8	163.7	0	0	0	112.1	G30 Y31 R37 S38	G30-L34 WeakPolarHBondContact O-CB 3.37Å; G30-L34 WeakPolarHBondContact O-CD1 3.25Å; G30-L34 WeakPolarHBondContact O-CG 3.14Å; G30-L34 PolarHBondContact O-N 2.91Å; Y31-L34 PolarHBondContact O-N 3.46Å; L34-R37 PolarHBondContact O-N 2.78Å; L34-S38 WeakPolarHBondContact O-CB 3.22Å; L34-S38 PolarHBondContact O-N 3.45Å
35	S	51	Low	54.3	Low	48 Å²	48	107.1 Å²	107.1	34%	0.336	56%	0.563	S	S	.	*	H	α-helix	trans	-66.3	-42.5	176.4	-173.8	0	0	0	0	111.8	Y31 L32 S38 Q39	Y31-S35 WeakPolarHBondContact O-CB 3.36Å; Y31-S35 PolarHBondContact O-N 3.19Å; L32-S35 PolarHBondContact O-N 3.44Å; S35-S38 WeakPolarHBondContact O-CB 3.3Å; S35-S38 PolarHBondContact O-N 3.17Å; S35-Q39 WeakPolarHBondContact O-CG 3.39Å; S35-Q39 PolarHBondContact O-N 2.99Å
36	F	45.5	Very low	53.1	Low	121 Å²	121	107.1 Å²	107.1	53%	0.531	57%	0.569	S	S	.	*	H	α-helix	trans	-67.9	-36.5	175.6	-127.4	-98.7	0	0	0	111.9	L32 S38 Q39 N40	L32-F36 WeakPolarHBondContact O-CB 3.07Å; L32-F36 PolarHBondContact O-N 2.87Å; F36-S38 VanDerWaalsContact C-N 3.32Å; F36-Q39 PolarHBondContact O-N 3.23Å; F36-N40 WeakPolarHBondContact CD1-ND2 3.2Å; F36-N40 WeakPolarHBondContact O-CB 3.39Å; F36-N40 PolarHBondContact O-N 3.27Å
37	R	41.6	Very low	52.4	Low	166 Å²	166	105.5 Å²	105.5	63%	0.626	57%	0.565	S	S	*	*	H	α-helix	trans	-67.3	-34.7	172.7	-159.3	177.3	-170.3	-177.8	3.1	111.6	F33 L34 Q39 N40 L41	F33-R37 VanDerWaalsContact O-CB 3.28Å; F33-R37 WeakPolarHBondContact O-CB 3.46Å; F33-R37 PolarHBondContact O-N 3.44Å; L34-R37 PolarHBondContact O-N 2.78Å; R37-Q39 VanDerWaalsContact C-N 3.27Å; R37-Q39 PolarHBondContact O-N 3.09Å; R37-N40 PolarHBondContact O-N 3.48Å; R37-L41 HydrophobicContact CG-CD1 4.28Å; R37-L41 WeakPolarHBondContact O-CD1 3.44Å; R37-L41 PolarHBondContact O-N 2.98Å
38	S	44.2	Very low	51.8	Low	92 Å²	92	105.2 Å²	105.2	64%	0.643	56%	0.563	S	S	*	*	H	α-helix	trans	-66.4	-26.8	171.4	-173.6	0	0	0	0	113.1	L34 S35 F36	L34-S38 WeakPolarHBondContact O-CB 3.22Å; L34-S38 PolarHBondContact O-N 3.45Å; S35-S38 WeakPolarHBondContact O-CB 3.3Å; S35-S38 PolarHBondContact O-N 3.17Å; F36-S38 VanDerWaalsContact C-N 3.32Å
39	Q	47.3	Very low	51.4	Low	138 Å²	138	111.8 Å²	111.8	65%	0.645	58%	0.584	S	S	*	*	H	α-helix	trans	-87.3	-27	176.3	-71.5	-178.2	-8.7	0	0	113.2	S35 F36 R37	S35-Q39 WeakPolarHBondContact O-CG 3.39Å; S35-Q39 PolarHBondContact O-N 2.99Å; F36-Q39 PolarHBondContact O-N 3.23Å; R37-Q39 VanDerWaalsContact C-N 3.27Å; R37-Q39 PolarHBondContact O-N 3.09Å
40	N	39.9	Very low	51.3	Low	120 Å²	120	108.7 Å²	108.7	64%	0.642	57%	0.574	S	S	*	*	H	α-helix	trans	-96.3	-6.9	179.9	-77.3	-34.4	0	0	0	114.9	F36 R37 G42	F36-N40 WeakPolarHBondContact CD1-ND2 3.2Å; F36-N40 WeakPolarHBondContact O-CB 3.39Å; F36-N40 PolarHBondContact O-N 3.27Å; R37-N40 PolarHBondContact O-N 3.48Å; N40-G42 VanDerWaalsContact C-N 3.35Å; N40-G42 PolarHBondContact O-N 3.1Å; N40-G42 VanDerWaalsContact O-N 3.12Å
41	L	41.9	Very low	52	Low	116 Å²	116	112.6 Å²	112.6	61%	0.607	60%	0.604	S	S	*	*	S	Bend	trans	-75.3	93.6	159.9	-87.6	149.8	0	0	0	107.3	R37 H43	R37-L41 HydrophobicContact CG-CD1 4.28Å; R37-L41 WeakPolarHBondContact O-CD1 3.44Å; R37-L41 PolarHBondContact O-N 2.98Å; L41-H43 PolarHBondContact O-N 2.96Å
42	G	37.8	Very low	53.1	Low	60 Å²	60	110.7 Å²	110.7	62%	0.619	60%	0.596	S	S	*	*			trans	-43.1	133.9	174.3	0	0	0	0	0	111.2	N40 P44	N40-G42 VanDerWaalsContact C-N 3.35Å; N40-G42 PolarHBondContact O-N 3.1Å; N40-G42 VanDerWaalsContact O-N 3.12Å; G42-P44 WeakPolarHBondContact O-CD 3.17Å
43	H	45.5	Very low	54.4	Low	160 Å²	160	115 Å²	115	74%	0.741	62%	0.619	S	S	*	*			trans	-42.4	101	-174.2	-128.3	28	0	0	0	112.3	L41 G45 A46	L41-H43 PolarHBondContact O-N 2.96Å; H43-G45 VanDerWaalsContact C-N 3.33Å; H43-G45 PolarHBondContact O-N 2.78Å; H43-G45 VanDerWaalsContact O-N 3.11Å; H43-A46 WeakPolarHBondContact NE2-CB 3.29Å
44	P	44.5	Very low	56.1	Low	112 Å²	112	115.7 Å²	115.7	73%	0.727	62%	0.624	S	S	*	*	S	Bend	trans	-86.3	86.2	171.3	18.4	-0.8	0	0	0	106	G42	G42-P44 WeakPolarHBondContact O-CD 3.17Å
45	G	48.8	Very low	58.1	Low	30 Å²	30	114.5 Å²	114.5	31%	0.309	62%	0.623	S	S	.	*			trans	57	91.6	175.1	0	0	0	0	0	113.9	H43 V47	H43-G45 VanDerWaalsContact C-N 3.33Å; H43-G45 PolarHBondContact O-N 2.78Å; H43-G45 VanDerWaalsContact O-N 3.11Å; G45-V47 PolarHBondContact O-N 2.94Å
46	A	47.8	Very low	60.2	Low	57 Å²	57	120.9 Å²	120.9	47%	0.471	64%	0.64	S	S	.	*			trans	-51.9	107.3	173.3	0	0	0	0	0	110.3	H43 T48	H43-A46 WeakPolarHBondContact NE2-CB 3.29Å; A46-T48 PolarHBondContact O-N 3.37Å; A46-T48 VanDerWaalsContact O-N 3.13Å
47	V	54.5	Low	62.6	Low	96 Å²	96	122 Å²	122	58%	0.582	66%	0.656	S	S	*	*			trans	-66	111.1	164.7	179.6	0	0	0	0	105.2	G45 E88	G45-V47 PolarHBondContact O-N 2.94Å; V47-E88 WeakPolarHBondContact CA-OE1 3.27Å; V47-E88 HydrophobicContact CG1-CG 4.45Å; V47-E88 WeakPolarHBondContact CG1-OE2 3.45Å
48	T	57.8	Low	65.2	Low	93 Å²	93	122.3 Å²	122.3	57%	0.571	67%	0.669	S	S	*	*			trans	-51.1	141.4	174.6	-19	0	0	0	0	108.8	A46 N50 E88	A46-T48 PolarHBondContact O-N 3.37Å; A46-T48 VanDerWaalsContact O-N 3.13Å; T48-N50 VanDerWaalsContact C-N 3.28Å; T48-N50 PolarHBondContact O-N 3.31Å; T48-E88 WeakPolarHBondContact CA-OE1 3.47Å; T48-E88 VanDerWaalsContact CB-OE1 3.27Å; T48-E88 WeakPolarHBondContact CB-OE1 3.38Å; T48-E88 PolarHBondContact N-OE1 3.27Å; T48-E88 PolarHBondContact OG1-OE1 3.22Å
49	R	63.3	Low	67.7	Low	255 Å²	255	124 Å²	124	96%	0.962	67%	0.665	S	S	*	*			trans	-65.4	89.2	179.1	-176.2	-176.5	176.3	179.7	-0.9	109.9
50	N	65.4	Low	70	Confident	71 Å²	71	120.7 Å²	120.7	38%	0.38	66%	0.656	S	S	.	*			trans	-91.2	122.1	175.9	-78.4	-31.8	0	0	0	109.6	T48 Y52 E88	T48-N50 VanDerWaalsContact C-N 3.28Å; T48-N50 PolarHBondContact O-N 3.31Å; N50-Y52 VanDerWaalsContact O-CD1 3.25Å; N50-Y52 WeakPolarHBondContact O-CD1 3.4Å; N50-Y52 PolarHBondContact O-N 3.45Å; N50-E88 PolarHBondContact ND2-OE2 3.48Å
51	A	79.4	Confident	72.6	Confident	112 Å²	112	119 Å²	119	93%	0.926	65%	0.65	S	S	*	*			trans	-75.3	110.1	169.3	0	0	0	0	0	108.3
52	Y	87.9	Confident	75.3	Confident	129 Å²	129	114 Å²	114	51%	0.506	62%	0.623	S	S	.	*			trans	-126.7	159	174.2	60.3	-93.2	0	0	0	110.6	N50 Q54 I85	N50-Y52 VanDerWaalsContact O-CD1 3.25Å; N50-Y52 WeakPolarHBondContact O-CD1 3.4Å; N50-Y52 PolarHBondContact O-N 3.45Å; Y52-Q54 PolarHBondContact O-N 2.87Å; Y52-I85 HydrophobicContact CD1-CD1 4.04Å; Y52-I85 HydrophobicContact CD1-CG1 4.36Å; Y52-I85 HydrophobicContact CD2-CD1 4.06Å; Y52-I85 HydrophobicContact CE1-CD1 4.05Å; Y52-I85 HydrophobicContact CE2-CD1 4.06Å; Y52-I85 HydrophobicContact CG-CD1 4.06Å
53	L	87.8	Confident	78.1	Confident	165 Å²	165	119.6 Å²	119.6	86%	0.864	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-63.4	127.3	178.4	-68.3	174.2	0	0	0	110.6
54	Q	93.6	Very high	80.6	Confident	168 Å²	168	116 Å²	116	79%	0.785	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-56.1	127.3	178.6	-172.8	-176.8	10.9	0	0	110.9	Y52 R56	Y52-Q54 PolarHBondContact O-N 2.87Å; Q54-R56 PolarHBondContact O-N 2.82Å
55	P	95	Very high	83.2	Confident	95 Å²	95	111.9 Å²	111.9	62%	0.617	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-57	129	171.7	-24.7	34.3	0	0	0	110.8
56	R	95.8	Very high	85.5	Confident	183 Å²	183	115.1 Å²	115.1	69%	0.691	60%	0.599	S	S	*	*			trans	-97.5	98.1	-178.4	-65.7	-173.6	-176.4	-165.9	3.1	110.2	Q54 L58 K59	Q54-R56 PolarHBondContact O-N 2.82Å; R56-L58 VanDerWaalsContact C-N 3.28Å; R56-L58 PolarHBondContact O-N 2.72Å; R56-K59 HydrophobicContact CB-CB 3.83Å; R56-K59 PolarHBondContact O-N 2.73Å
57	V	95.5	Very high	87.9	Confident	143 Å²	143	114.7 Å²	114.7	87%	0.867	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.6	-41.5	-174.8	179.1	0	0	0	0	113.3	K59	V57-K59 VanDerWaalsContact C-N 3.32Å; V57-K59 PolarHBondContact O-N 2.88Å
58	L	96.6	Very high	90	Very high	173 Å²	173	113.9 Å²	113.9	91%	0.906	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	7.6	-178.1	-57.4	-179.9	0	0	0	113.9	R56	R56-L58 VanDerWaalsContact C-N 3.28Å; R56-L58 PolarHBondContact O-N 2.72Å
59	K	95.6	Very high	92	Very high	127 Å²	127	109.6 Å²	109.6	55%	0.552	56%	0.556	S	S	*	*	S	Bend	trans	-124.5	111	178.3	-172.8	-179.8	179.1	-178.2	0	109.5	R56 V57	R56-K59 HydrophobicContact CB-CB 3.83Å; R56-K59 PolarHBondContact O-N 2.73Å; V57-K59 VanDerWaalsContact C-N 3.32Å; V57-K59 PolarHBondContact O-N 2.88Å
60	P	95.1	Very high	93.7	Very high	70 Å²	70	102.8 Å²	102.8	46%	0.455	55%	0.545	S	S	.	.			trans	-64.6	146.6	178.3	28.9	-36.3	0	0	0	111	K63	P60-K63 HydrophobicContact CB-CG 4.4Å; P60-K63 HydrophobicContact CG-CD 4.17Å; P60-K63 HydrophobicContact CG-CG 3.52Å
61	T	95.5	Very high	95.3	Very high	83 Å²	83	102.3 Å²	102.3	51%	0.509	54%	0.538	S	S	.	.	S	Bend	trans	-68.7	-38.5	177.2	47.6	0	0	0	0	112	G79	T61-G79 WeakPolarHBondContact CB-O 3.42Å
62	R	97.5	Very high	96.2	Very high	12 Å²	12	103.3 Å²	103.3	5%	0.045	53%	0.527	C	S	.	.			trans	-132.8	141.8	172.8	-65.2	-67.7	-66.9	-93.1	-3.7	109.5	D64 V65 V67 E78 T80 E303 I316	R62-D64 IonicContact CZ-OD1 2.76Å; R62-D64 IonicContact CZ-OD2 3.66Å; R62-D64 IonicContact NE-OD1 2.77Å; R62-D64 PolarHBondContact NE-OD1 3.11Å; R62-D64 IonicContact NE-OD2 3.08Å; R62-D64 PolarHBondContact NE-OD2 2.81Å; R62-D64 IonicContact NH2-OD1 3.87Å; R62-D64 IonicContact NH2-OD2 3.76Å; R62-D64 PolarHBondContact NH2-OD2 3.1Å; R62-V65 HydrophobicContact CB-CG2 3.56Å; R62-V65 HydrophobicContact CG-CG2 3.84Å; R62-V67 HydrophobicContact CB-CG1 3.79Å; R62-V67 HydrophobicContact CG-CG1 4.15Å; R62-E78 PolarHBondContact NH1-O 3.05Å; R62-T80 HydrophobicContact CG-CG2 4.1Å; R62-E303 IonicContact NH1-OE1 3.5Å; R62-I316 PolarHBondContact NH2-O 2.76Å
63	K	97.4	Very high	96.7	Very high	177 Å²	177	97.3 Å²	97.3	77%	0.77	50%	0.504	S	S	*	.	S	Bend	trans	-113.3	-7.6	178.9	-70.2	-173.9	176.6	-172.6	0	113.1	P60	P60-K63 HydrophobicContact CB-CG 4.4Å; P60-K63 HydrophobicContact CG-CD 4.17Å; P60-K63 HydrophobicContact CG-CG 3.52Å
64	D	97.9	Very high	97.2	Very high	84 Å²	84	91.7 Å²	91.7	45%	0.449	48%	0.477	S	S	.	.	S	Bend	trans	-112.6	-8.1	-165.8	55.3	-42.2	0	0	0	112.7	R62	R62-D64 IonicContact CZ-OD1 2.76Å; R62-D64 IonicContact CZ-OD2 3.66Å; R62-D64 IonicContact NE-OD1 2.77Å; R62-D64 PolarHBondContact NE-OD1 3.11Å; R62-D64 IonicContact NE-OD2 3.08Å; R62-D64 PolarHBondContact NE-OD2 2.81Å; R62-D64 IonicContact NH2-OD1 3.87Å; R62-D64 IonicContact NH2-OD2 3.76Å; R62-D64 PolarHBondContact NH2-OD2 3.1Å
65	V	98.4	Very high	97.5	Very high	26 Å²	26	83.8 Å²	83.8	16%	0.158	44%	0.441	C	S	.	.	S	Bend	trans	-141.3	155.8	-178.1	-70.2	0	0	0	0	111.5	R62 V67 W77 I316	R62-V65 HydrophobicContact CB-CG2 3.56Å; R62-V65 HydrophobicContact CG-CG2 3.84Å; V65-V67 HydrophobicContact CG2-CG1 4.14Å; V65-W77 HydrophobicContact CB-CD2 4.3Å; V65-W77 HydrophobicContact CB-CZ2 4.11Å; V65-W77 HydrophobicContact CG1-CD2 4.16Å; V65-W77 HydrophobicContact CG1-CE3 4.34Å; V65-W77 HydrophobicContact CG1-CH2 3.88Å; V65-W77 HydrophobicContact CG1-CZ2 3.69Å; V65-W77 HydrophobicContact CG1-CZ3 4.2Å; V65-W77 HydrophobicContact CG2-CD2 4.02Å; V65-W77 HydrophobicContact CG2-CG 3.97Å; V65-I316 HydrophobicContact CG1-CD1 3.43Å; V65-I316 VanDerWaalsContact CG1-CD1 3.43Å; V65-I316 HydrophobicContact CG1-CG1 3.44Å; V65-I316 VanDerWaalsContact CG1-CG1 3.44Å
66	L	98.5	Very high	97.6	Very high	98 Å²	98	79.7 Å²	79.7	51%	0.513	41%	0.413	S	S	.	.			trans	-70.6	128.3	164.6	-173.3	66.5	0	0	0	109.4	L68 I75 W77 F244	L66-L68 WeakPolarHBondContact CD1-O 3.45Å; L66-L68 VanDerWaalsContact CG-O 3.3Å; L66-L68 WeakPolarHBondContact CG-O 3.46Å; L66-I75 HydrophobicContact CB-CD1 4.08Å; L66-I75 HydrophobicContact CD2-CD1 3.74Å; L66-I75 HydrophobicContact CG-CD1 3.79Å; L66-W77 PolarHBondContact O-NE1 3.48Å; L66-F244 HydrophobicContact CD2-CZ 4.22Å
67	V	98.6	Very high	97.8	Very high	48 Å²	48	71.4 Å²	71.4	29%	0.291	38%	0.382	S	S	.	.			trans	-111.7	-5.2	-179.5	-61.2	0	0	0	0	113.6	R62 V65 P74 I75 T80	R62-V67 HydrophobicContact CB-CG1 3.79Å; R62-V67 HydrophobicContact CG-CG1 4.15Å; V65-V67 HydrophobicContact CG2-CG1 4.14Å; V67-P74 WeakPolarHBondContact O-CA 3.19Å; V67-I75 PolarHBondContact O-N 3.47Å; V67-T80 HydrophobicContact CB-CG2 4.22Å; V67-T80 HydrophobicContact CG1-CG2 3.74Å
68	L	98.5	Very high	97.9	Very high	79 Å²	79	67.2 Å²	67.2	41%	0.414	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-146	130.4	-179.4	-166.8	73.8	0	0	0	109	L66 L72 A73	L66-L68 WeakPolarHBondContact CD1-O 3.45Å; L66-L68 VanDerWaalsContact CG-O 3.3Å; L66-L68 WeakPolarHBondContact CG-O 3.46Å; L68-L72 HydrophobicContact CD2-CD2 3.89Å; L68-A73 CarbonylContact C-O 3.56Å; L68-A73 WeakPolarHBondContact CA-O 3.37Å
69	T	98.8	Very high	98	Very high	4 Å²	4	60.6 Å²	60.6	3%	0.025	33%	0.327	C	S	.	.			trans	-73.7	164.3	176.7	69.5	0	0	0	0	111.3	W71 L72 A73 I75 F244 V299	T69-W71 HydrophobicContact CG2-CD2 4.45Å; T69-W71 HydrophobicContact CG2-CH2 4Å; T69-W71 HydrophobicContact CG2-CZ2 3.65Å; T69-W71 PolarHBondContact O-N 3.14Å; T69-W71 VanDerWaalsContact O-N 3.13Å; T69-W71 PolarHBondContact OG1-N 3.23Å; T69-W71 PolarHBondContact OG1-NE1 3.4Å; T69-L72 PolarHBondContact O-N 3.24Å; T69-L72 PolarHBondContact OG1-N 3.33Å; T69-A73 HydrophobicContact CG2-CB 4.19Å; T69-A73 WeakPolarHBondContact CG2-O 3.43Å; T69-A73 PolarHBondContact N-O 2.76Å; T69-A73 WeakPolarHBondContact OG1-CB 3.18Å; T69-A73 PolarHBondContact OG1-N 3.1Å; T69-A73 PolarHBondContact OG1-O 3.33Å; T69-I75 HydrophobicContact CG2-CD1 4.07Å; T69-I75 HydrophobicContact CG2-CG1 3.84Å; T69-F244 HydrophobicContact CG2-CE2 3.88Å; T69-F244 HydrophobicContact CG2-CZ 4.28Å; T69-V299 HydrophobicContact CG2-CG2 3.85Å
70	P	98.6	Very high	98.1	Very high	112 Å²	112	56.5 Å²	56.5	73%	0.727	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-19.6	173.3	-26.4	36.4	0	0	0	114.9
71	W	98.6	Very high	98.3	Very high	60 Å²	60	55.4 Å²	55.4	23%	0.227	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	19.4	174.4	63.3	87.9	0	0	0	113.2	T69 A73 D243 F244 K295 P296 V299	T69-W71 HydrophobicContact CG2-CD2 4.45Å; T69-W71 HydrophobicContact CG2-CH2 4Å; T69-W71 HydrophobicContact CG2-CZ2 3.65Å; T69-W71 PolarHBondContact O-N 3.14Å; T69-W71 VanDerWaalsContact O-N 3.13Å; T69-W71 PolarHBondContact OG1-N 3.23Å; T69-W71 PolarHBondContact OG1-NE1 3.4Å; W71-A73 VanDerWaalsContact C-N 3.31Å; W71-A73 PolarHBondContact O-N 2.83Å; W71-D243 HydrophobicContact CH2-CB 3.78Å; W71-D243 HydrophobicContact CZ3-CB 3.71Å; W71-F244 AromaticContact CH2-CD2 3.87Å; W71-F244 HydrophobicContact CH2-CD2 3.87Å; W71-F244 AromaticContact CH2-CE2 3.59Å; W71-F244 HydrophobicContact CH2-CE2 3.59Å; W71-F244 HydrophobicContact CZ2-CE2 4.34Å; W71-F244 HydrophobicContact CZ3-CE2 4.23Å; W71-K295 HydrophobicContact CD2-CB 4.11Å; W71-K295 HydrophobicContact CD2-CD 4.21Å; W71-K295 HydrophobicContact CD2-CG 4.17Å; W71-K295 HydrophobicContact CE3-CD 4.22Å; W71-K295 HydrophobicContact CG-CB 4.03Å; W71-K295 HydrophobicContact CG-CG 4.23Å; W71-K295 HydrophobicContact CH2-CD 4.49Å; W71-K295 HydrophobicContact CZ3-CD 4.36Å; W71-P296 HydrophobicContact CZ2-CG 4.07Å; W71-P296 PolarHBondContact NE1-O 3.44Å; W71-V299 HydrophobicContact CZ2-CG2 4.18Å
72	L	98.6	Very high	98.4	Very high	133 Å²	133	54 Å²	54	70%	0.696	29%	0.29	S	S	*	.	S	Bend	trans	67.4	21.1	173.6	-47.4	177.8	0	0	0	115.6	L68 T69	L68-L72 HydrophobicContact CD2-CD2 3.89Å; T69-L72 PolarHBondContact O-N 3.24Å; T69-L72 PolarHBondContact OG1-N 3.33Å
73	A	98.8	Very high	98.4	Very high	4 Å²	4	55.5 Å²	55.5	3%	0.033	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-83.7	132.9	167.8	0	0	0	0	0	110	L68 T69 W71 P296 T297	L68-A73 CarbonylContact C-O 3.56Å; L68-A73 WeakPolarHBondContact CA-O 3.37Å; T69-A73 HydrophobicContact CG2-CB 4.19Å; T69-A73 WeakPolarHBondContact CG2-O 3.43Å; T69-A73 PolarHBondContact N-O 2.76Å; T69-A73 WeakPolarHBondContact OG1-CB 3.18Å; T69-A73 PolarHBondContact OG1-N 3.1Å; T69-A73 PolarHBondContact OG1-O 3.33Å; W71-A73 VanDerWaalsContact C-N 3.31Å; W71-A73 PolarHBondContact O-N 2.83Å; A73-P296 WeakPolarHBondContact CB-O 3.5Å; A73-T297 WeakPolarHBondContact CB-O 3.48Å
74	P	98.8	Very high	98.4	Very high	46 Å²	46	51.8 Å²	51.8	30%	0.299	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-69.5	142.8	176.7	29.8	-34.4	0	0	0	110.6	V67 I76 T297 K298 V299	V67-P74 WeakPolarHBondContact O-CA 3.19Å; P74-I76 HydrophobicContact CB-CD1 4.11Å; P74-I76 HydrophobicContact CG-CD1 4.11Å; P74-T297 WeakPolarHBondContact CD-O 3.37Å; P74-K298 HydrophobicContact CG-CG 3.9Å; P74-V299 PolarHBondContact O-N 3.19Å
75	I	98.9	Very high	98.3	Very high	3 Å²	3	50 Å²	50	2%	0.015	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	116.4	167.8	-47.6	-173.9	0	0	0	107.5	L66 V67 T69 W77 L213 F244 V299	L66-I75 HydrophobicContact CB-CD1 4.08Å; L66-I75 HydrophobicContact CD2-CD1 3.74Å; L66-I75 HydrophobicContact CG-CD1 3.79Å; V67-I75 PolarHBondContact O-N 3.47Å; T69-I75 HydrophobicContact CG2-CD1 4.07Å; T69-I75 HydrophobicContact CG2-CG1 3.84Å; I75-W77 VanDerWaalsContact CG2-NE1 3.31Å; I75-W77 PolarHBondContact O-N 3.39Å; I75-L213 HydrophobicContact CG2-CD1 4.34Å; I75-F244 HydrophobicContact CD1-CE1 4.47Å; I75-F244 HydrophobicContact CD1-CZ 3.97Å; I75-V299 CarbonylContact C-O 3.56Å; I75-V299 WeakPolarHBondContact CA-O 3.17Å; I75-V299 HydrophobicContact CG1-CB 4.25Å; I75-V299 HydrophobicContact CG2-CB 4.4Å; I75-V299 HydrophobicContact CG2-CG1 4.3Å
76	I	98.9	Very high	98.3	Very high	8 Å²	8	50.2 Å²	50.2	4%	0.041	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	108.5	-170.5	-50.6	-54.8	0	0	0	109.7	P74 F81 E204 K298 V299 L300 S301 Y304	P74-I76 HydrophobicContact CB-CD1 4.11Å; P74-I76 HydrophobicContact CG-CD1 4.11Å; I76-F81 HydrophobicContact CG2-CD1 4.07Å; I76-F81 HydrophobicContact CG2-CE1 4Å; I76-E204 HydrophobicContact CG2-CB 4.39Å; I76-E204 HydrophobicContact CG2-CG 3.81Å; I76-K298 HydrophobicContact CD1-CD 4.01Å; I76-K298 HydrophobicContact CG1-CB 4.48Å; I76-K298 HydrophobicContact CG1-CD 4.22Å; I76-V299 PolarHBondContact N-O 3.35Å; I76-L300 HydrophobicContact CB-CD2 3.88Å; I76-L300 HydrophobicContact CG1-CD2 3.68Å; I76-S301 WeakPolarHBondContact O-CB 3.28Å; I76-S301 PolarHBondContact O-N 2.87Å; I76-S301 VanDerWaalsContact O-N 3.1Å; I76-S301 PolarHBondContact O-OG 3.45Å; I76-Y304 HydrophobicContact CB-CE2 4.26Å; I76-Y304 HydrophobicContact CG2-CE2 3.8Å; I76-Y304 WeakPolarHBondContact CG2-OH 3.43Å
77	W	98.9	Very high	98.3	Very high	9 Å²	9	46.9 Å²	46.9	3%	0.034	26%	0.26	C	S	.	.			trans	-126.9	153.7	176.3	-69.8	95.8	0	0	0	109.3	V65 L66 I75 G79 T80 S301 E303 M317	V65-W77 HydrophobicContact CB-CD2 4.3Å; V65-W77 HydrophobicContact CB-CZ2 4.11Å; V65-W77 HydrophobicContact CG1-CD2 4.16Å; V65-W77 HydrophobicContact CG1-CE3 4.34Å; V65-W77 HydrophobicContact CG1-CH2 3.88Å; V65-W77 HydrophobicContact CG1-CZ2 3.69Å; V65-W77 HydrophobicContact CG1-CZ3 4.2Å; V65-W77 HydrophobicContact CG2-CD2 4.02Å; V65-W77 HydrophobicContact CG2-CG 3.97Å; L66-W77 PolarHBondContact O-NE1 3.48Å; I75-W77 VanDerWaalsContact CG2-NE1 3.31Å; I75-W77 PolarHBondContact O-N 3.39Å; W77-G79 PolarHBondContact O-N 3.36Å; W77-T80 HydrophobicContact CB-CG2 3.88Å; W77-T80 PolarHBondContact N-OG1 3.21Å; W77-T80 WeakPolarHBondContact O-CG2 3.11Å; W77-T80 PolarHBondContact O-N 2.91Å; W77-T80 PolarHBondContact O-OG1 3.12Å; W77-S301 VanDerWaalsContact CE3-CB 3.4Å; W77-E303 HydrophobicContact CE3-CG 4.02Å; W77-E303 HydrophobicContact CZ3-CG 4.24Å; W77-M317 HydrophobicContact CH2-CE 3.84Å; W77-M317 HydrophobicContact CH2-SD 4.3Å; W77-M317 HydrophobicContact CZ3-CE 3.85Å; W77-M317 HydrophobicContact CZ3-SD 3.7Å
78	E	98.7	Very high	98.2	Very high	55 Å²	55	45 Å²	45	26%	0.257	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	128.6	171.8	-176.9	60.1	-165.5	0	0	111.2	R62 E303 K318 K319 R321	R62-E78 PolarHBondContact NH1-O 3.05Å; E78-E303 WeakPolarHBondContact CB-OE1 3.47Å; E78-E303 WeakPolarHBondContact CB-OE2 3.38Å; E78-E303 PolarHBondContact N-OE1 3.01Å; E78-E303 PolarHBondContact N-OE2 3.18Å; E78-K318 HydrophobicContact CB-CB 3.84Å; E78-K318 HydrophobicContact CB-CD 4.14Å; E78-K318 HydrophobicContact CG-CB 3.98Å; E78-K318 HydrophobicContact CG-CD 4.14Å; E78-K319 HydrophobicContact CB-CD 4.46Å; E78-K319 HydrophobicContact CB-CG 4.44Å; E78-K319 HydrophobicContact CG-CD 4.04Å; E78-K319 HydrophobicContact CG-CG 4.18Å; E78-K319 WeakPolarHBondContact OE2-CD 3.21Å; E78-R321 IonicContact OE2-CZ 3.58Å; E78-R321 IonicContact OE2-NH1 3.4Å; E78-R321 IonicContact OE2-NH2 3.11Å; E78-R321 PolarHBondContact OE2-NH2 3.35Å
79	G	97.4	Very high	98.1	Very high	35 Å²	35	45.1 Å²	45.1	36%	0.361	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.7	-1.4	-176.8	0	0	0	0	0	115.4	T61 W77	T61-G79 WeakPolarHBondContact CB-O 3.42Å; W77-G79 PolarHBondContact O-N 3.36Å
80	T	98.4	Very high	98	Very high	40 Å²	40	45.5 Å²	45.5	25%	0.245	25%	0.248	C	C	.	.	S	Bend	trans	-90.6	-7.9	176.3	68.9	0	0	0	0	114.2	R62 V67 W77	R62-T80 HydrophobicContact CG-CG2 4.1Å; V67-T80 HydrophobicContact CB-CG2 4.22Å; V67-T80 HydrophobicContact CG1-CG2 3.74Å; W77-T80 HydrophobicContact CB-CG2 3.88Å; W77-T80 PolarHBondContact N-OG1 3.21Å; W77-T80 WeakPolarHBondContact O-CG2 3.11Å; W77-T80 PolarHBondContact O-N 2.91Å; W77-T80 PolarHBondContact O-OG1 3.12Å
81	F	98.1	Very high	97.8	Very high	47 Å²	47	46.9 Å²	46.9	21%	0.206	24%	0.239	C	C	.	.			trans	-135.2	156.9	-177.5	59.3	-86.3	0	0	0	111.5	I76 I83 L86 E204	I76-F81 HydrophobicContact CG2-CD1 4.07Å; I76-F81 HydrophobicContact CG2-CE1 4Å; F81-I83 HydrophobicContact CD2-CB 4.23Å; F81-I83 HydrophobicContact CE2-CB 4.14Å; F81-I83 HydrophobicContact CE2-CD1 4.33Å; F81-L86 HydrophobicContact CB-CD1 3.84Å; F81-L86 HydrophobicContact CD2-CD1 4.17Å; F81-L86 HydrophobicContact CG-CD1 4.33Å; F81-E204 HydrophobicContact CB-CB 4.49Å; F81-E204 HydrophobicContact CD1-CB 4.15Å; F81-E204 HydrophobicContact CD1-CG 4.18Å; F81-E204 HydrophobicContact CD2-CB 3.78Å; F81-E204 HydrophobicContact CD2-CG 4.17Å; F81-E204 HydrophobicContact CE1-CB 4.32Å; F81-E204 HydrophobicContact CE1-CG 3.87Å; F81-E204 HydrophobicContact CE2-CB 3.95Å; F81-E204 HydrophobicContact CE2-CG 3.84Å; F81-E204 HydrophobicContact CG-CB 3.88Å; F81-E204 HydrophobicContact CG-CG 4.34Å; F81-E204 HydrophobicContact CZ-CB 4.23Å; F81-E204 HydrophobicContact CZ-CG 3.69Å
82	N	97.9	Very high	97.7	Very high	54 Å²	54	48 Å²	48	29%	0.289	25%	0.248	S	C	.	.			trans	-106.5	113.2	166.3	179.7	-50	0	0	0	107.7	D84 I85 L86	N82-D84 VanDerWaalsContact C-N 3.33Å; N82-D84 PolarHBondContact O-N 3.22Å; N82-D84 WeakPolarHBondContact OD1-CB 3.49Å; N82-D84 PolarHBondContact OD1-N 3.48Å; N82-I85 HydrophobicContact CB-CB 4.44Å; N82-I85 HydrophobicContact CB-CD1 3.96Å; N82-I85 HydrophobicContact CB-CG1 4.21Å; N82-I85 PolarHBondContact OD1-N 3.27Å; N82-L86 WeakPolarHBondContact O-CG 3.16Å; N82-L86 PolarHBondContact O-N 3.16Å
83	I	97.8	Very high	97.6	Very high	43 Å²	43	49.2 Å²	49.2	22%	0.221	24%	0.244	C	C	.	.	H	α-helix	trans	-69.9	-28.8	-172.7	-167.9	53.6	0	0	0	113	F81 L86 N87 H200 V203 E204	F81-I83 HydrophobicContact CD2-CB 4.23Å; F81-I83 HydrophobicContact CE2-CB 4.14Å; F81-I83 HydrophobicContact CE2-CD1 4.33Å; I83-L86 PolarHBondContact O-N 3.39Å; I83-N87 WeakPolarHBondContact O-CB 3.32Å; I83-N87 VanDerWaalsContact O-CG 3.25Å; I83-N87 PolarHBondContact O-N 3.23Å; I83-N87 PolarHBondContact O-ND2 2.95Å; I83-H200 WeakPolarHBondContact CD1-NE2 3.2Å; I83-V203 HydrophobicContact CD1-CG2 4.18Å; I83-E204 WeakPolarHBondContact CD1-OE2 3.46Å
84	D	96.7	Very high	97.5	Very high	99 Å²	99	53.6 Å²	53.6	53%	0.529	27%	0.266	S	S	.	.	H	α-helix	trans	-67.4	-44.5	179.9	-59.5	-42.7	0	0	0	111.2	N82 L86 N87 E88	N82-D84 VanDerWaalsContact C-N 3.33Å; N82-D84 PolarHBondContact O-N 3.22Å; N82-D84 WeakPolarHBondContact OD1-CB 3.49Å; N82-D84 PolarHBondContact OD1-N 3.48Å; D84-L86 VanDerWaalsContact C-N 3.35Å; D84-L86 PolarHBondContact O-N 2.96Å; D84-N87 PolarHBondContact O-N 3.38Å; D84-E88 WeakPolarHBondContact O-CB 3.37Å; D84-E88 PolarHBondContact O-N 3Å
85	I	96.7	Very high	97.4	Very high	46 Å²	46	51.7 Å²	51.7	24%	0.236	25%	0.254	C	S	.	.	H	α-helix	trans	-60.4	-46.7	175.5	-63	177	0	0	0	110.1	Y52 N82 E88 Q89	Y52-I85 HydrophobicContact CD1-CD1 4.04Å; Y52-I85 HydrophobicContact CD1-CG1 4.36Å; Y52-I85 HydrophobicContact CD2-CD1 4.06Å; Y52-I85 HydrophobicContact CE1-CD1 4.05Å; Y52-I85 HydrophobicContact CE2-CD1 4.06Å; Y52-I85 HydrophobicContact CG-CD1 4.06Å; N82-I85 HydrophobicContact CB-CB 4.44Å; N82-I85 HydrophobicContact CB-CD1 3.96Å; N82-I85 HydrophobicContact CB-CG1 4.21Å; N82-I85 PolarHBondContact OD1-N 3.27Å; I85-E88 PolarHBondContact O-N 3.02Å; I85-Q89 WeakPolarHBondContact O-CG 3.4Å; I85-Q89 PolarHBondContact O-N 2.91Å; I85-Q89 VanDerWaalsContact O-N 3.08Å
86	L	98.1	Very high	97.4	Very high	31 Å²	31	52.6 Å²	52.6	16%	0.162	26%	0.26	C	S	.	.	H	α-helix	trans	-66.7	-44.4	-179.7	-64.8	175.5	0	0	0	111.4	F81 N82 I83 D84 E88 Q89 F90 V203 E204	F81-L86 HydrophobicContact CB-CD1 3.84Å; F81-L86 HydrophobicContact CD2-CD1 4.17Å; F81-L86 HydrophobicContact CG-CD1 4.33Å; N82-L86 WeakPolarHBondContact O-CG 3.16Å; N82-L86 PolarHBondContact O-N 3.16Å; I83-L86 PolarHBondContact O-N 3.39Å; D84-L86 VanDerWaalsContact C-N 3.35Å; D84-L86 PolarHBondContact O-N 2.96Å; L86-E88 VanDerWaalsContact C-N 3.27Å; L86-E88 PolarHBondContact O-N 3.27Å; L86-Q89 PolarHBondContact O-N 3.36Å; L86-F90 WeakPolarHBondContact O-CD2 3.28Å; L86-F90 PolarHBondContact O-N 3.03Å; L86-V203 HydrophobicContact CB-CG2 3.78Å; L86-E204 HydrophobicContact CD1-CB 3.67Å
87	N	98.1	Very high	97.4	Very high	29 Å²	29	52.2 Å²	52.2	16%	0.155	26%	0.258	C	S	.	.	H	α-helix	trans	-58.2	-41.6	177.2	-84	-25.8	0	0	0	111.7	I83 D84 R91 H126 V203	I83-N87 WeakPolarHBondContact O-CB 3.32Å; I83-N87 VanDerWaalsContact O-CG 3.25Å; I83-N87 PolarHBondContact O-N 3.23Å; I83-N87 PolarHBondContact O-ND2 2.95Å; D84-N87 PolarHBondContact O-N 3.38Å; N87-R91 WeakPolarHBondContact O-CB 3.39Å; N87-R91 WeakPolarHBondContact O-CG 3.27Å; N87-R91 PolarHBondContact O-N 3.32Å; N87-R91 PolarHBondContact O-NE 3.03Å; N87-H126 PolarHBondContact OD1-NE2 3.02Å; N87-V203 WeakPolarHBondContact OD1-CG2 3.41Å
88	E	96.4	Very high	97.4	Very high	9 Å²	9	51.8 Å²	51.8	4%	0.042	26%	0.256	C	S	.	.	H	α-helix	trans	-62	-49.1	174.7	179.4	162.5	-145.9	0	0	112.1	V47 T48 N50 D84 I85 L86 F90 R91 I92	V47-E88 WeakPolarHBondContact CA-OE1 3.27Å; V47-E88 HydrophobicContact CG1-CG 4.45Å; V47-E88 WeakPolarHBondContact CG1-OE2 3.45Å; T48-E88 WeakPolarHBondContact CA-OE1 3.47Å; T48-E88 VanDerWaalsContact CB-OE1 3.27Å; T48-E88 WeakPolarHBondContact CB-OE1 3.38Å; T48-E88 PolarHBondContact N-OE1 3.27Å; T48-E88 PolarHBondContact OG1-OE1 3.22Å; N50-E88 PolarHBondContact ND2-OE2 3.48Å; D84-E88 WeakPolarHBondContact O-CB 3.37Å; D84-E88 PolarHBondContact O-N 3Å; I85-E88 PolarHBondContact O-N 3.02Å; L86-E88 VanDerWaalsContact C-N 3.27Å; L86-E88 PolarHBondContact O-N 3.27Å; E88-F90 PolarHBondContact O-N 2.85Å; E88-R91 PolarHBondContact O-N 3.37Å; E88-I92 HydrophobicContact CG-CD1 3.92Å; E88-I92 VanDerWaalsContact O-CG1 3.32Å; E88-I92 WeakPolarHBondContact O-CG1 3.42Å; E88-I92 PolarHBondContact O-N 2.68Å
89	Q	96.6	Very high	97.4	Very high	81 Å²	81	49.2 Å²	49.2	38%	0.379	24%	0.244	S	C	.	.	H	α-helix	trans	-57.7	-44.6	179.3	-72.2	175.3	-2.4	0	0	112.9	I85 L86 R93	I85-Q89 WeakPolarHBondContact O-CG 3.4Å; I85-Q89 PolarHBondContact O-N 2.91Å; I85-Q89 VanDerWaalsContact O-N 3.08Å; L86-Q89 PolarHBondContact O-N 3.36Å; Q89-R93 WeakPolarHBondContact O-CG 3.47Å; Q89-R93 PolarHBondContact O-N 2.92Å
90	F	97.4	Very high	97.5	Very high	12 Å²	12	47.6 Å²	47.6	5%	0.053	23%	0.227	C	C	.	.	H	α-helix	trans	-79.1	-28.8	-178.4	-78.3	-87.7	0	0	0	113.2	L86 E88 R93 N94 T95 Y187 V203 L206	L86-F90 WeakPolarHBondContact O-CD2 3.28Å; L86-F90 PolarHBondContact O-N 3.03Å; E88-F90 PolarHBondContact O-N 2.85Å; F90-R93 PolarHBondContact O-N 3.49Å; F90-N94 PolarHBondContact O-N 3.3Å; F90-T95 HydrophobicContact CD1-CG2 4.06Å; F90-T95 WeakPolarHBondContact CD1-OG1 3.44Å; F90-T95 PolarHBondContact O-N 2.82Å; F90-T95 PolarHBondContact O-OG1 3.5Å; F90-Y187 HydrophobicContact CE1-CE2 4.01Å; F90-V203 HydrophobicContact CB-CB 4.16Å; F90-V203 HydrophobicContact CB-CG1 3.86Å; F90-V203 HydrophobicContact CB-CG2 4.44Å; F90-V203 HydrophobicContact CD2-CB 3.66Å; F90-V203 HydrophobicContact CD2-CG1 4.3Å; F90-V203 HydrophobicContact CD2-CG2 3.91Å; F90-V203 HydrophobicContact CE2-CB 4.15Å; F90-V203 HydrophobicContact CG-CB 3.88Å; F90-V203 HydrophobicContact CG-CG1 4.01Å; F90-V203 HydrophobicContact CG-CG2 4.39Å; F90-L206 HydrophobicContact CD1-CD1 3.85Å; F90-L206 HydrophobicContact CE1-CB 3.78Å; F90-L206 HydrophobicContact CE1-CD1 3.76Å; F90-L206 HydrophobicContact CE1-CG 4.44Å; F90-L206 HydrophobicContact CZ-CB 3.77Å; F90-L206 HydrophobicContact CZ-CD1 4.38Å
91	R	95.1	Very high	97.5	Very high	141 Å²	141	45.7 Å²	45.7	53%	0.532	22%	0.215	S	C	.	.	H	α-helix	trans	-67.3	-41.4	172	-80.1	-179	-68.4	171.5	-2.5	112.2	N87 E88 R93 N94	N87-R91 WeakPolarHBondContact O-CB 3.39Å; N87-R91 WeakPolarHBondContact O-CG 3.27Å; N87-R91 PolarHBondContact O-N 3.32Å; N87-R91 PolarHBondContact O-NE 3.03Å; E88-R91 PolarHBondContact O-N 3.37Å; R91-R93 PolarHBondContact O-N 2.94Å; R91-N94 WeakPolarHBondContact O-CA 3.46Å; R91-N94 PolarHBondContact O-N 3.39Å
92	I	95.6	Very high	97.5	Very high	83 Å²	83	44.2 Å²	44.2	43%	0.426	21%	0.209	S	C	.	.	H	α-helix	trans	-59.4	-35	175.6	-70.8	167.3	0	0	0	111	E88 N94	E88-I92 HydrophobicContact CG-CD1 3.92Å; E88-I92 VanDerWaalsContact O-CG1 3.32Å; E88-I92 WeakPolarHBondContact O-CG1 3.42Å; E88-I92 PolarHBondContact O-N 2.68Å; I92-N94 PolarHBondContact O-N 3.3Å
93	R	95.8	Very high	97.5	Very high	159 Å²	159	41.7 Å²	41.7	60%	0.6	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-5.4	175.6	-65.1	173.8	-172.5	-176.2	1.1	113.7	Q89 F90 R91 T95	Q89-R93 WeakPolarHBondContact O-CG 3.47Å; Q89-R93 PolarHBondContact O-N 2.92Å; F90-R93 PolarHBondContact O-N 3.49Å; R91-R93 PolarHBondContact O-N 2.94Å; R93-T95 PolarHBondContact O-N 3.26Å
94	N	96.8	Very high	97.4	Very high	96 Å²	96	40.1 Å²	40.1	51%	0.513	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	41.3	-176.4	-168.9	34	0	0	0	112.4	F90 R91 I92 K127	F90-N94 PolarHBondContact O-N 3.3Å; R91-N94 WeakPolarHBondContact O-CA 3.46Å; R91-N94 PolarHBondContact O-N 3.39Å; I92-N94 PolarHBondContact O-N 3.3Å; N94-K127 PolarHBondContact ND2-NZ 3.4Å; N94-K127 VanDerWaalsContact OD1-CE 3.3Å; N94-K127 WeakPolarHBondContact OD1-CE 3.49Å; N94-K127 PolarHBondContact OD1-NZ 2.74Å
95	T	97.8	Very high	97.2	Very high	6 Å²	6	37.5 Å²	37.5	4%	0.037	17%	0.171	C	C	.	.			trans	-64.9	134.5	-169.4	-54.2	0	0	0	0	111.5	F90 R93 I97 D186 Y187 L206	F90-T95 HydrophobicContact CD1-CG2 4.06Å; F90-T95 WeakPolarHBondContact CD1-OG1 3.44Å; F90-T95 PolarHBondContact O-N 2.82Å; F90-T95 PolarHBondContact O-OG1 3.5Å; R93-T95 PolarHBondContact O-N 3.26Å; T95-I97 HydrophobicContact CG2-CD1 4Å; T95-I97 HydrophobicContact CG2-CG1 4.32Å; T95-D186 WeakPolarHBondContact CA-OD2 3.23Å; T95-D186 HydrophobicContact CG2-CB 4.09Å; T95-Y187 HydrophobicContact CG2-CD2 3.58Å; T95-Y187 HydrophobicContact CG2-CE2 3.73Å; T95-L206 HydrophobicContact CG2-CD1 4.25Å
96	T	98.8	Very high	97.2	Very high	22 Å²	22	39.8 Å²	39.8	14%	0.135	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	129	173.3	-52	0	0	0	0	110.1	K127 I129 V185 D186 Y187	T96-K127 HydrophobicContact CG2-CB 3.9Å; T96-K127 WeakPolarHBondContact OG1-CD 3.18Å; T96-I129 HydrophobicContact CG2-CD1 4.04Å; T96-I129 HydrophobicContact CG2-CG1 4.06Å; T96-V185 HydrophobicContact CG2-CB 4.5Å; T96-V185 HydrophobicContact CG2-CG1 3.96Å; T96-D186 PolarHBondContact N-OD2 3.02Å; T96-D186 PolarHBondContact O-N 3.24Å; T96-Y187 PolarHBondContact O-N 3.08Å
97	I	98.9	Very high	97.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.4	-175.4	-55.9	85.3	0	0	0	109.7	T95 F122 M123 H126 K127 V128 I129 V189 L206	T95-I97 HydrophobicContact CG2-CD1 4Å; T95-I97 HydrophobicContact CG2-CG1 4.32Å; I97-F122 HydrophobicContact CG2-CE1 4.23Å; I97-F122 HydrophobicContact CG2-CZ 3.9Å; I97-M123 HydrophobicContact CB-CG 4.38Å; I97-M123 HydrophobicContact CD1-CG 4.45Å; I97-M123 HydrophobicContact CD1-SD 4.36Å; I97-M123 HydrophobicContact CG1-CG 4.3Å; I97-M123 HydrophobicContact CG1-SD 4.2Å; I97-M123 HydrophobicContact CG2-CE 4.36Å; I97-M123 HydrophobicContact CG2-CG 4.32Å; I97-H126 HydrophobicContact CD1-CB 3.93Å; I97-K127 PolarHBondContact N-O 3.5Å; I97-V128 CarbonylContact O-C 3.51Å; I97-V128 VanDerWaalsContact O-CA 3.26Å; I97-V128 WeakPolarHBondContact O-CA 3.38Å; I97-I129 PolarHBondContact O-N 2.8Å; I97-V189 HydrophobicContact CG2-CG2 4.03Å; I97-L206 HydrophobicContact CD1-CD1 4.25Å; I97-L206 HydrophobicContact CG1-CD1 3.81Å; I97-L206 HydrophobicContact CG1-CD2 4.2Å; I97-L206 HydrophobicContact CG2-CD2 4.36Å
98	G	98.9	Very high	97.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	134.3	169.1	0	0	0	0	0	111.3	I129 Y187 L188 V189	G98-I129 CarbonylContact C-O 3.55Å; G98-I129 VanDerWaalsContact CA-O 3.3Å; G98-I129 WeakPolarHBondContact CA-O 3.43Å; G98-Y187 PolarHBondContact N-O 2.92Å; G98-L188 CarbonylContact O-C 3.24Å; G98-L188 WeakPolarHBondContact O-CA 3.49Å; G98-V189 PolarHBondContact O-N 3.03Å
99	L	98.9	Very high	97.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	109.2	170.3	-179.1	61.1	0	0	0	109.3	F114 A118 F122 I129 Y130 Y131 V189 A191 F197	L99-F114 HydrophobicContact CD1-CZ 4.5Å; L99-F114 HydrophobicContact CD2-CE1 3.84Å; L99-F114 HydrophobicContact CD2-CZ 3.75Å; L99-F114 HydrophobicContact CG-CE1 4.45Å; L99-F114 HydrophobicContact CG-CZ 4.2Å; L99-A118 HydrophobicContact CD2-CB 4.5Å; L99-F122 HydrophobicContact CB-CE1 3.81Å; L99-F122 HydrophobicContact CB-CZ 4.1Å; L99-F122 HydrophobicContact CD1-CE1 4.49Å; L99-F122 HydrophobicContact CD1-CE2 4.36Å; L99-F122 HydrophobicContact CD1-CZ 4.09Å; L99-F122 HydrophobicContact CD2-CD1 3.95Å; L99-F122 HydrophobicContact CD2-CE1 3.96Å; L99-F122 HydrophobicContact CD2-CG 4.28Å; L99-F122 HydrophobicContact CD2-CZ 4.29Å; L99-F122 HydrophobicContact CG-CE1 4.31Å; L99-F122 HydrophobicContact CG-CZ 4.39Å; L99-I129 PolarHBondContact N-O 3.2Å; L99-Y130 HydrophobicContact CB-CD1 4.09Å; L99-Y130 HydrophobicContact CD2-CD1 3.84Å; L99-Y130 HydrophobicContact CD2-CE1 3.77Å; L99-Y130 HydrophobicContact CG-CD1 4.37Å; L99-Y131 PolarHBondContact O-N 3.33Å; L99-V189 CarbonylContact C-O 3.5Å; L99-V189 WeakPolarHBondContact CA-O 3.45Å; L99-V189 HydrophobicContact CD1-CB 3.87Å; L99-V189 HydrophobicContact CD1-CG1 3.72Å; L99-A191 HydrophobicContact CD1-CB 3.79Å; L99-F197 HydrophobicContact CD2-CE2 4.42Å; L99-F197 HydrophobicContact CD2-CZ 4.19Å
100	T	98.8	Very high	97.2	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	131.8	176.6	68.9	0	0	0	0	110.4	Y131 F133 F181 L188 V189 C190 A191	T100-Y131 WeakPolarHBondContact CA-O 3.38Å; T100-Y131 HydrophobicContact CG2-CD2 4.27Å; T100-F133 HydrophobicContact CG2-CE2 4Å; T100-F181 HydrophobicContact CG2-CE2 4.07Å; T100-F181 HydrophobicContact CG2-CZ 4.06Å; T100-L188 HydrophobicContact CG2-CD2 3.88Å; T100-V189 PolarHBondContact N-O 3.22Å; T100-C190 WeakPolarHBondContact OG1-CA 3.46Å; T100-C190 PolarHBondContact OG1-SG 3.35Å; T100-A191 PolarHBondContact O-N 2.81Å
101	V	98.6	Very high	97.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	136.7	176	61.6	0	0	0	0	110	L111 F114 Y131 V132 F133 A193	V101-L111 HydrophobicContact CG1-CD2 4.19Å; V101-L111 HydrophobicContact CG2-CD2 4.48Å; V101-F114 HydrophobicContact CB-CE1 3.91Å; V101-F114 HydrophobicContact CB-CZ 3.94Å; V101-F114 HydrophobicContact CG1-CD1 4.43Å; V101-F114 HydrophobicContact CG1-CE1 3.92Å; V101-F114 HydrophobicContact CG1-CZ 4.46Å; V101-F114 HydrophobicContact CG2-CD1 4.32Å; V101-F114 HydrophobicContact CG2-CE1 4Å; V101-F114 HydrophobicContact CG2-CE2 4.21Å; V101-F114 HydrophobicContact CG2-CZ 3.93Å; V101-Y131 PolarHBondContact N-O 3.17Å; V101-V132 HydrophobicContact CG1-CB 4.44Å; V101-V132 HydrophobicContact CG1-CG2 3.93Å; V101-F133 PolarHBondContact O-N 2.93Å; V101-A193 HydrophobicContact CG2-CB 3.53Å
102	F	98.3	Very high	97.5	Very high	17 Å²	17	39.2 Å²	39.2	8%	0.075	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	119.4	178.5	-74.7	-104.6	0	0	0	110.5	F133 R169 M172 I173 A193	F102-F133 HydrophobicContact CB-CB 4.49Å; F102-F133 HydrophobicContact CD1-CB 3.42Å; F102-F133 VanDerWaalsContact CD1-CB 3.42Å; F102-F133 HydrophobicContact CD1-CG 4Å; F102-F133 HydrophobicContact CD2-CB 4.24Å; F102-F133 HydrophobicContact CD2-CD2 4.17Å; F102-F133 HydrophobicContact CD2-CG 4.36Å; F102-F133 HydrophobicContact CE1-CB 3.52Å; F102-F133 AromaticContact CE1-CD1 3.78Å; F102-F133 HydrophobicContact CE1-CD1 3.78Å; F102-F133 HydrophobicContact CE1-CD2 4.23Å; F102-F133 HydrophobicContact CE1-CE1 4.48Å; F102-F133 AromaticContact CE1-CG 3.6Å; F102-F133 HydrophobicContact CE1-CG 3.6Å; F102-F133 HydrophobicContact CE2-CB 4.31Å; F102-F133 AromaticContact CE2-CD2 3.74Å; F102-F133 HydrophobicContact CE2-CD2 3.74Å; F102-F133 HydrophobicContact CE2-CE2 4.11Å; F102-F133 AromaticContact CE2-CG 3.98Å; F102-F133 HydrophobicContact CE2-CG 3.98Å; F102-F133 HydrophobicContact CG-CB 3.8Å; F102-F133 HydrophobicContact CG-CG 4.36Å; F102-F133 HydrophobicContact CZ-CB 3.97Å; F102-F133 AromaticContact CZ-CD1 3.78Å; F102-F133 HydrophobicContact CZ-CD1 3.78Å; F102-F133 AromaticContact CZ-CD2 3.76Å; F102-F133 HydrophobicContact CZ-CD2 3.76Å; F102-F133 HydrophobicContact CZ-CE1 4.1Å; F102-F133 HydrophobicContact CZ-CE2 4.1Å; F102-F133 AromaticContact CZ-CG 3.57Å; F102-F133 HydrophobicContact CZ-CG 3.57Å; F102-F133 HydrophobicContact CZ-CZ 4.23Å; F102-R169 HydrophobicContact CB-CG 4.24Å; F102-R169 HydrophobicContact CD1-CG 3.78Å; F102-R169 HydrophobicContact CD2-CB 4.09Å; F102-R169 HydrophobicContact CD2-CG 3.67Å; F102-R169 HydrophobicContact CE1-CB 4.27Å; F102-R169 HydrophobicContact CE1-CG 3.99Å; F102-R169 HydrophobicContact CE2-CB 3.83Å; F102-R169 HydrophobicContact CE2-CG 3.9Å; F102-R169 HydrophobicContact CG-CB 4.45Å; F102-R169 HydrophobicContact CG-CG 3.62Å; F102-R169 HydrophobicContact CZ-CB 3.93Å; F102-R169 HydrophobicContact CZ-CG 4.06Å; F102-M172 HydrophobicContact CE1-CB 3.9Å; F102-M172 HydrophobicContact CE1-CG 4.31Å; F102-M172 HydrophobicContact CZ-CB 3.8Å; F102-I173 HydrophobicContact CE2-CD1 3.95Å; F102-I173 HydrophobicContact CE2-CG1 3.82Å; F102-I173 HydrophobicContact CZ-CG1 4.06Å; F102-A193 VanDerWaalsContact O-CB 3.31Å; F102-A193 WeakPolarHBondContact O-CB 3.42Å
103	A	97	Very high	97.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.182	C	C	.	.			trans	-125.2	82.3	178.2	0	0	0	0	0	109.5	V108 L111 F133 T134	A103-V108 HydrophobicContact CB-CG1 4.29Å; A103-V108 WeakPolarHBondContact O-CG1 3.42Å; A103-L111 HydrophobicContact CB-CD1 3.56Å; A103-L111 HydrophobicContact CB-CD2 3.56Å; A103-L111 HydrophobicContact CB-CG 3.47Å; A103-L111 VanDerWaalsContact CB-CG 3.47Å; A103-F133 PolarHBondContact N-O 2.87Å; A103-T134 VanDerWaalsContact O-CB 3.26Å; A103-T134 WeakPolarHBondContact O-CB 3.34Å; A103-T134 PolarHBondContact O-OG1 3.42Å
104	I	95.6	Very high	97.7	Very high	10 Å²	10	31 Å²	31	5%	0.051	15%	0.154	C	C	.	.			trans	-103	139.1	-174.2	-57.9	-67.9	0	0	0	110.1	K106 Y107 D135 V156 N158 V165	I104-K106 PolarHBondContact O-N 3.03Å; I104-Y107 WeakPolarHBondContact O-CB 3.33Å; I104-Y107 PolarHBondContact O-N 2.96Å; I104-Y107 VanDerWaalsContact O-N 3.11Å; I104-D135 VanDerWaalsContact CA-OD1 3.29Å; I104-D135 WeakPolarHBondContact CA-OD1 3Å; I104-D135 HydrophobicContact CD1-CB 4.43Å; I104-V156 HydrophobicContact CD1-CG2 3.51Å; I104-N158 HydrophobicContact CG2-CB 3.7Å; I104-V165 HydrophobicContact CB-CG1 3.74Å; I104-V165 HydrophobicContact CG1-CG1 3.88Å; I104-V165 HydrophobicContact CG2-CG1 3.92Å; I104-V165 HydrophobicContact CG2-CG2 3.98Å
105	K	94.2	Very high	97.8	Very high	45 Å²	45	26.4 Å²	26.4	20%	0.196	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	53.7	-121.3	-175.8	-59.7	173.8	-177	-178.9	0	111.5	Y107 V108 D135 R136 N158 Y159 T160	K105-Y107 PolarHBondContact O-N 2.61Å; K105-V108 WeakPolarHBondContact O-CG2 3.36Å; K105-D135 PolarHBondContact N-OD1 3.4Å; K105-R136 WeakPolarHBondContact O-CD 3.35Å; K105-N158 HydrophobicContact CG-CB 4.34Å; K105-Y159 WeakPolarHBondContact CE-O 3.42Å; K105-Y159 PolarHBondContact NZ-O 2.79Å; K105-T160 PolarHBondContact NZ-O 2.85Å
106	K	95.9	Very high	97.9	Very high	94 Å²	94	29.8 Å²	29.8	41%	0.409	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-72.1	-14.8	-177.3	-64.3	177.1	171.7	175	0	112.9	I104 V108 V109 A331 I332 N334	I104-K106 PolarHBondContact O-N 3.03Å; K106-V108 PolarHBondContact O-N 3.09Å; K106-V108 VanDerWaalsContact O-N 3.1Å; K106-V109 WeakPolarHBondContact O-CG1 3.44Å; K106-V109 VanDerWaalsContact O-CG2 3.23Å; K106-V109 WeakPolarHBondContact O-CG2 3.45Å; K106-V109 PolarHBondContact O-N 2.76Å; K106-A331 WeakPolarHBondContact CD-O 3.35Å; K106-A331 PolarHBondContact NZ-O 3.08Å; K106-I332 HydrophobicContact CB-CD1 3.74Å; K106-I332 HydrophobicContact CB-CG1 4.36Å; K106-N334 VanDerWaalsContact CE-O 3.29Å; K106-N334 WeakPolarHBondContact CE-O 3.47Å; K106-N334 PolarHBondContact NZ-O 2.73Å
107	Y	96.4	Very high	97.9	Very high	40 Å²	40	29.4 Å²	29.4	16%	0.157	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-67.4	-11.1	-179	-78.6	-110.6	0	0	0	113.4	I104 K105 V109 F110 D194 I332 R333	I104-Y107 WeakPolarHBondContact O-CB 3.33Å; I104-Y107 PolarHBondContact O-N 2.96Å; I104-Y107 VanDerWaalsContact O-N 3.11Å; K105-Y107 PolarHBondContact O-N 2.61Å; Y107-V109 PolarHBondContact O-N 3.03Å; Y107-V109 VanDerWaalsContact O-N 3.13Å; Y107-F110 AromaticContact CD1-CD2 3.79Å; Y107-F110 HydrophobicContact CD1-CD2 3.79Å; Y107-F110 AromaticContact CD1-CE2 3.69Å; Y107-F110 HydrophobicContact CD1-CE2 3.69Å; Y107-F110 HydrophobicContact CE1-CE2 4.05Å; Y107-F110 HydrophobicContact CG-CD2 4.19Å; Y107-F110 HydrophobicContact CG-CE2 4.12Å; Y107-F110 WeakPolarHBondContact O-CD2 3.36Å; Y107-F110 PolarHBondContact O-N 3.44Å; Y107-F110 VanDerWaalsContact O-N 3.1Å; Y107-D194 HydrophobicContact CD1-CB 4.42Å; Y107-D194 HydrophobicContact CE1-CB 4.21Å; Y107-I332 HydrophobicContact CD2-CG1 4.03Å; Y107-I332 HydrophobicContact CE2-CB 4.45Å; Y107-I332 HydrophobicContact CE2-CG1 3.82Å; Y107-I332 HydrophobicContact CE2-CG2 4.03Å; Y107-R333 HydrophobicContact CE2-CG 4.42Å
108	V	97.3	Very high	97.9	Very high	17 Å²	17	29.4 Å²	29.4	10%	0.103	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-55	-26.5	169.8	-61.8	0	0	0	0	113.3	A103 K105 K106 F110 L111 R136 D139	A103-V108 HydrophobicContact CB-CG1 4.29Å; A103-V108 WeakPolarHBondContact O-CG1 3.42Å; K105-V108 WeakPolarHBondContact O-CG2 3.36Å; K106-V108 PolarHBondContact O-N 3.09Å; K106-V108 VanDerWaalsContact O-N 3.1Å; V108-F110 PolarHBondContact O-N 3.03Å; V108-L111 HydrophobicContact CB-CD1 4.47Å; V108-L111 WeakPolarHBondContact O-CB 3.38Å; V108-L111 PolarHBondContact O-N 3.45Å; V108-L111 VanDerWaalsContact O-N 3.16Å; V108-R136 HydrophobicContact CG1-CB 4.08Å; V108-D139 HydrophobicContact CB-CB 4.24Å; V108-D139 HydrophobicContact CG1-CB 4.39Å; V108-D139 HydrophobicContact CG2-CB 4.1Å
109	V	97.6	Very high	97.9	Very high	98 Å²	98	31 Å²	31	59%	0.594	15%	0.15	S	C	*	.	G	3₁₀ helix	trans	-62	-24.5	178.2	-57.7	0	0	0	0	113.3	K106 Y107 I332	K106-V109 WeakPolarHBondContact O-CG1 3.44Å; K106-V109 VanDerWaalsContact O-CG2 3.23Å; K106-V109 WeakPolarHBondContact O-CG2 3.45Å; K106-V109 PolarHBondContact O-N 2.76Å; Y107-V109 PolarHBondContact O-N 3.03Å; Y107-V109 VanDerWaalsContact O-N 3.13Å; V109-I332 HydrophobicContact CG2-CD1 3.99Å
110	F	98.3	Very high	97.9	Very high	18 Å²	18	37.1 Å²	37.1	8%	0.079	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-84	-20.1	-179.6	-57.9	-66.9	0	0	0	113.3	Y107 V108 K112 L113 F114 A193 D194 V325 K327 I332	Y107-F110 AromaticContact CD1-CD2 3.79Å; Y107-F110 HydrophobicContact CD1-CD2 3.79Å; Y107-F110 AromaticContact CD1-CE2 3.69Å; Y107-F110 HydrophobicContact CD1-CE2 3.69Å; Y107-F110 HydrophobicContact CE1-CE2 4.05Å; Y107-F110 HydrophobicContact CG-CD2 4.19Å; Y107-F110 HydrophobicContact CG-CE2 4.12Å; Y107-F110 WeakPolarHBondContact O-CD2 3.36Å; Y107-F110 PolarHBondContact O-N 3.44Å; Y107-F110 VanDerWaalsContact O-N 3.1Å; V108-F110 PolarHBondContact O-N 3.03Å; F110-K112 VanDerWaalsContact C-N 3.28Å; F110-K112 PolarHBondContact O-N 2.91Å; F110-L113 PolarHBondContact O-N 3.47Å; F110-F114 WeakPolarHBondContact O-CB 3.48Å; F110-F114 PolarHBondContact O-N 3.03Å; F110-A193 HydrophobicContact CB-CB 4.48Å; F110-A193 WeakPolarHBondContact CB-O 3.3Å; F110-D194 HydrophobicContact CD1-CB 4.33Å; F110-D194 HydrophobicContact CD2-CB 3.84Å; F110-D194 HydrophobicContact CE1-CB 4.25Å; F110-D194 HydrophobicContact CE2-CB 3.74Å; F110-D194 HydrophobicContact CG-CB 4.14Å; F110-D194 HydrophobicContact CZ-CB 3.97Å; F110-V325 HydrophobicContact CD1-CB 4.39Å; F110-V325 HydrophobicContact CD1-CG1 4.21Å; F110-V325 HydrophobicContact CE1-CB 4.38Å; F110-V325 HydrophobicContact CE1-CG1 4.09Å; F110-K327 HydrophobicContact CE1-CB 4.42Å; F110-K327 HydrophobicContact CZ-CB 3.99Å; F110-K327 HydrophobicContact CZ-CD 4.06Å; F110-I332 HydrophobicContact CE2-CD1 3.96Å; F110-I332 HydrophobicContact CE2-CG1 3.78Å; F110-I332 HydrophobicContact CZ-CD1 4.09Å; F110-I332 HydrophobicContact CZ-CG1 4.03Å
111	L	98.6	Very high	97.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-57.8	-38.9	-171.7	-76.5	177.4	0	0	0	113.1	V101 A103 V108 F114 L115 V132 V140 P141	V101-L111 HydrophobicContact CG1-CD2 4.19Å; V101-L111 HydrophobicContact CG2-CD2 4.48Å; A103-L111 HydrophobicContact CB-CD1 3.56Å; A103-L111 HydrophobicContact CB-CD2 3.56Å; A103-L111 HydrophobicContact CB-CG 3.47Å; A103-L111 VanDerWaalsContact CB-CG 3.47Å; V108-L111 HydrophobicContact CB-CD1 4.47Å; V108-L111 WeakPolarHBondContact O-CB 3.38Å; V108-L111 PolarHBondContact O-N 3.45Å; V108-L111 VanDerWaalsContact O-N 3.16Å; L111-F114 PolarHBondContact O-N 3.36Å; L111-L115 HydrophobicContact CB-CD1 4.44Å; L111-L115 VanDerWaalsContact O-CB 3.28Å; L111-L115 WeakPolarHBondContact O-CB 3.26Å; L111-L115 WeakPolarHBondContact O-CG 3.36Å; L111-L115 PolarHBondContact O-N 3.46Å; L111-V132 HydrophobicContact CD1-CG1 3.79Å; L111-V132 HydrophobicContact CD2-CG1 3.87Å; L111-V132 HydrophobicContact CD2-CG2 4.46Å; L111-V140 HydrophobicContact CD1-CG1 4.42Å; L111-V140 HydrophobicContact CD1-CG2 4.16Å; L111-P141 HydrophobicContact CB-CG 3.88Å
112	K	98.5	Very high	97.9	Very high	118 Å²	118	39.2 Å²	39.2	51%	0.513	19%	0.188	S	C	.	.	H	α-helix	trans	-62.3	-53.9	-176.5	-174.7	179	175.2	-171.2	0	110.7	F110 F114 L115 E116 P141	F110-K112 VanDerWaalsContact C-N 3.28Å; F110-K112 PolarHBondContact O-N 2.91Å; K112-F114 PolarHBondContact O-N 3.16Å; K112-L115 PolarHBondContact O-N 3.35Å; K112-E116 WeakPolarHBondContact CE-OE1 3.37Å; K112-E116 HydrophobicContact CG-CG 4.4Å; K112-E116 IonicContact NZ-OE1 3.43Å; K112-E116 VanDerWaalsContact O-CB 3.31Å; K112-E116 WeakPolarHBondContact O-CB 3.5Å; K112-E116 VanDerWaalsContact O-CG 3.26Å; K112-E116 WeakPolarHBondContact O-CG 2.94Å; K112-E116 PolarHBondContact O-N 3.05Å; K112-P141 HydrophobicContact CB-CB 4.13Å; K112-P141 HydrophobicContact CB-CG 3.99Å; K112-P141 HydrophobicContact CG-CB 4.41Å
113	L	98.7	Very high	97.9	Very high	69 Å²	69	38.5 Å²	38.5	36%	0.361	19%	0.185	S	C	.	.	H	α-helix	trans	-63.5	-42.2	178.8	180	63	0	0	0	111.5	F110 T117 K196 V325	F110-L113 PolarHBondContact O-N 3.47Å; L113-T117 HydrophobicContact CD1-CG2 3.88Å; L113-T117 WeakPolarHBondContact O-CB 3.38Å; L113-T117 WeakPolarHBondContact O-CG2 3.34Å; L113-T117 PolarHBondContact O-N 2.94Å; L113-T117 PolarHBondContact O-OG1 2.6Å; L113-K196 HydrophobicContact CD2-CB 4.14Å; L113-K196 HydrophobicContact CD2-CD 4.34Å; L113-K196 HydrophobicContact CG-CB 4.04Å; L113-V325 HydrophobicContact CD2-CG1 4.46Å; L113-V325 HydrophobicContact CD2-CG2 3.82Å
114	F	98.8	Very high	98	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.9	-52.3	177.7	176.9	-87.1	0	0	0	111.5	L99 V101 F110 L111 K112 T117 A118 A191 D192 F197 Y322	L99-F114 HydrophobicContact CD1-CZ 4.5Å; L99-F114 HydrophobicContact CD2-CE1 3.84Å; L99-F114 HydrophobicContact CD2-CZ 3.75Å; L99-F114 HydrophobicContact CG-CE1 4.45Å; L99-F114 HydrophobicContact CG-CZ 4.2Å; V101-F114 HydrophobicContact CB-CE1 3.91Å; V101-F114 HydrophobicContact CB-CZ 3.94Å; V101-F114 HydrophobicContact CG1-CD1 4.43Å; V101-F114 HydrophobicContact CG1-CE1 3.92Å; V101-F114 HydrophobicContact CG1-CZ 4.46Å; V101-F114 HydrophobicContact CG2-CD1 4.32Å; V101-F114 HydrophobicContact CG2-CE1 4Å; V101-F114 HydrophobicContact CG2-CE2 4.21Å; V101-F114 HydrophobicContact CG2-CZ 3.93Å; F110-F114 WeakPolarHBondContact O-CB 3.48Å; F110-F114 PolarHBondContact O-N 3.03Å; L111-F114 PolarHBondContact O-N 3.36Å; K112-F114 PolarHBondContact O-N 3.16Å; F114-T117 PolarHBondContact O-OG1 2.89Å; F114-A118 VanDerWaalsContact O-CB 3.25Å; F114-A118 WeakPolarHBondContact O-CB 3.35Å; F114-A118 PolarHBondContact O-N 3.16Å; F114-A191 HydrophobicContact CE2-CB 4.3Å; F114-A191 HydrophobicContact CZ-CB 4.22Å; F114-D192 WeakPolarHBondContact CE2-O 3.36Å; F114-F197 HydrophobicContact CD2-CE2 4.15Å; F114-F197 HydrophobicContact CE1-CE2 4.4Å; F114-F197 AromaticContact CE2-CE2 3.74Å; F114-F197 HydrophobicContact CE2-CE2 3.74Å; F114-F197 HydrophobicContact CE2-CZ 4.25Å; F114-F197 AromaticContact CZ-CE2 3.88Å; F114-F197 HydrophobicContact CZ-CE2 3.88Å; F114-F197 HydrophobicContact CZ-CZ 4.29Å; F114-Y322 HydrophobicContact CD2-CE2 4.34Å; F114-Y322 AromaticContact CE2-CE2 3.93Å; F114-Y322 HydrophobicContact CE2-CE2 3.93Å
115	L	98.9	Very high	98	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-70.1	-43.3	-177	-68.8	169.2	0	0	0	112.2	L111 K112 T117 A118 E119 Y130 P141 V143 L151	L111-L115 HydrophobicContact CB-CD1 4.44Å; L111-L115 VanDerWaalsContact O-CB 3.28Å; L111-L115 WeakPolarHBondContact O-CB 3.26Å; L111-L115 WeakPolarHBondContact O-CG 3.36Å; L111-L115 PolarHBondContact O-N 3.46Å; K112-L115 PolarHBondContact O-N 3.35Å; L115-T117 VanDerWaalsContact C-N 3.32Å; L115-T117 PolarHBondContact O-N 3.31Å; L115-A118 PolarHBondContact O-N 3.42Å; L115-E119 PolarHBondContact O-N 3.39Å; L115-Y130 HydrophobicContact CD2-CD1 3.86Å; L115-Y130 HydrophobicContact CD2-CE1 4.28Å; L115-Y130 HydrophobicContact CD2-CG 4.02Å; L115-P141 HydrophobicContact CD1-CG 4.2Å; L115-V143 HydrophobicContact CB-CB 4.37Å; L115-V143 HydrophobicContact CB-CG1 4.29Å; L115-V143 HydrophobicContact CB-CG2 3.91Å; L115-V143 HydrophobicContact CD1-CG2 4.1Å; L115-L151 HydrophobicContact CD1-CD1 3.59Å; L115-L151 HydrophobicContact CD2-CD1 3.94Å; L115-L151 HydrophobicContact CG-CD1 4.42Å
116	E	98.8	Very high	98.3	Very high	76 Å²	76	43.5 Å²	43.5	36%	0.355	23%	0.232	S	C	.	.	H	α-helix	trans	-61.5	-40.9	177.9	-74.5	175.2	164.8	0	0	111.6	K112 Q120 V143	K112-E116 WeakPolarHBondContact CE-OE1 3.37Å; K112-E116 HydrophobicContact CG-CG 4.4Å; K112-E116 IonicContact NZ-OE1 3.43Å; K112-E116 VanDerWaalsContact O-CB 3.31Å; K112-E116 WeakPolarHBondContact O-CB 3.5Å; K112-E116 VanDerWaalsContact O-CG 3.26Å; K112-E116 WeakPolarHBondContact O-CG 2.94Å; K112-E116 PolarHBondContact O-N 3.05Å; E116-Q120 WeakPolarHBondContact O-CG 3.47Å; E116-V143 HydrophobicContact CG-CG1 3.96Å; E116-V143 HydrophobicContact CG-CG2 4.41Å
117	T	98.9	Very high	98.4	Very high	14 Å²	14	42.9 Å²	42.9	9%	0.086	23%	0.229	C	C	.	.	H	α-helix	trans	-76.4	-31	176.7	57.6	0	0	0	0	112.7	L113 F114 L115 E119 Q120 H121 K196 F197	L113-T117 HydrophobicContact CD1-CG2 3.88Å; L113-T117 WeakPolarHBondContact O-CB 3.38Å; L113-T117 WeakPolarHBondContact O-CG2 3.34Å; L113-T117 PolarHBondContact O-N 2.94Å; L113-T117 PolarHBondContact O-OG1 2.6Å; F114-T117 PolarHBondContact O-OG1 2.89Å; L115-T117 VanDerWaalsContact C-N 3.32Å; L115-T117 PolarHBondContact O-N 3.31Å; T117-E119 VanDerWaalsContact C-N 3.33Å; T117-E119 PolarHBondContact O-N 2.69Å; T117-Q120 PolarHBondContact O-N 3.17Å; T117-Q120 VanDerWaalsContact O-N 3.16Å; T117-H121 PolarHBondContact O-CD2 3.26Å; T117-H121 PolarHBondContact O-N 2.97Å; T117-H121 VanDerWaalsContact O-N 3.16Å; T117-K196 HydrophobicContact CG2-CB 4.31Å; T117-F197 VanDerWaalsContact CB-O 3.24Å; T117-F197 WeakPolarHBondContact CB-O 3.23Å; T117-F197 PolarHBondContact OG1-N 2.89Å
118	A	98.9	Very high	98.5	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.6	-39.6	171.8	0	0	0	0	0	111.7	L99 F114 L115 Q120 H121 F122 Y130 F197	L99-A118 HydrophobicContact CD2-CB 4.5Å; F114-A118 VanDerWaalsContact O-CB 3.25Å; F114-A118 WeakPolarHBondContact O-CB 3.35Å; F114-A118 PolarHBondContact O-N 3.16Å; L115-A118 PolarHBondContact O-N 3.42Å; A118-Q120 PolarHBondContact O-N 3.36Å; A118-H121 PolarHBondContact O-N 3.3Å; A118-F122 HydrophobicContact CB-CB 4.06Å; A118-F122 WeakPolarHBondContact O-CA 3.23Å; A118-F122 VanDerWaalsContact O-CB 3.26Å; A118-F122 WeakPolarHBondContact O-CB 3.33Å; A118-F122 PolarHBondContact O-N 3.3Å; A118-Y130 HydrophobicContact CB-CE1 3.79Å; A118-F197 HydrophobicContact CB-CD2 3.69Å; A118-F197 HydrophobicContact CB-CE2 3.66Å
119	E	98.7	Very high	98.6	Very high	34 Å²	34	40.6 Å²	40.6	16%	0.159	22%	0.219	C	C	.	.	H	α-helix	trans	-60.2	-31.4	173.8	-77.3	-60	111.5	0	0	113.1	L115 T117 Y130 L145 G146 R149	L115-E119 PolarHBondContact O-N 3.39Å; T117-E119 VanDerWaalsContact C-N 3.33Å; T117-E119 PolarHBondContact O-N 2.69Å; E119-Y130 WeakPolarHBondContact OE1-CE2 3.32Å; E119-Y130 PolarHBondContact OE1-OH 3.18Å; E119-L145 HydrophobicContact CG-CD2 4.11Å; E119-L145 WeakPolarHBondContact OE2-CA 3.37Å; E119-G146 PolarHBondContact OE2-N 3.49Å; E119-R149 WeakPolarHBondContact OE1-CD 3.49Å; E119-R149 IonicContact OE1-CZ 2.76Å; E119-R149 IonicContact OE1-NE 3.02Å; E119-R149 PolarHBondContact OE1-NE 3.45Å; E119-R149 IonicContact OE1-NH2 3.71Å; E119-R149 WeakPolarHBondContact OE2-CD 3.39Å; E119-R149 IonicContact OE2-NE 3.19Å; E119-R149 PolarHBondContact OE2-NE 2.97Å
120	Q	98.7	Very high	98.6	Very high	128 Å²	128	36 Å²	36	60%	0.598	19%	0.191	S	C	*	.	H	α-helix	trans	-80.2	-26.9	-180	-66.3	175.6	1.9	0	0	113.5	E116 T117 A118 V124	E116-Q120 WeakPolarHBondContact O-CG 3.47Å; T117-Q120 PolarHBondContact O-N 3.17Å; T117-Q120 VanDerWaalsContact O-N 3.16Å; A118-Q120 PolarHBondContact O-N 3.36Å; Q120-V124 WeakPolarHBondContact O-CG2 3.39Å
121	H	98.9	Very high	98.7	Very high	46 Å²	46	35.1 Å²	35.1	21%	0.213	19%	0.187	C	C	.	.	H	α-helix	trans	-135.8	-23.8	-162.1	-65	-51.4	0	0	0	115.6	T117 A118 F197 D199 V201	T117-H121 PolarHBondContact O-CD2 3.26Å; T117-H121 PolarHBondContact O-N 2.97Å; T117-H121 VanDerWaalsContact O-N 3.16Å; A118-H121 PolarHBondContact O-N 3.3Å; H121-F197 HydrophobicContact CB-CB 3.77Å; H121-D199 WeakPolarHBondContact CB-O 3.49Å; H121-V201 PolarHBondContact O-N 2.6Å
122	F	98.9	Very high	98.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-93.2	112.6	-173.7	-178.3	-102.9	0	0	0	111.3	I97 L99 A118 V124 V128 R149 V189 F197 V201	I97-F122 HydrophobicContact CG2-CE1 4.23Å; I97-F122 HydrophobicContact CG2-CZ 3.9Å; L99-F122 HydrophobicContact CB-CE1 3.81Å; L99-F122 HydrophobicContact CB-CZ 4.1Å; L99-F122 HydrophobicContact CD1-CE1 4.49Å; L99-F122 HydrophobicContact CD1-CE2 4.36Å; L99-F122 HydrophobicContact CD1-CZ 4.09Å; L99-F122 HydrophobicContact CD2-CD1 3.95Å; L99-F122 HydrophobicContact CD2-CE1 3.96Å; L99-F122 HydrophobicContact CD2-CG 4.28Å; L99-F122 HydrophobicContact CD2-CZ 4.29Å; L99-F122 HydrophobicContact CG-CE1 4.31Å; L99-F122 HydrophobicContact CG-CZ 4.39Å; A118-F122 HydrophobicContact CB-CB 4.06Å; A118-F122 WeakPolarHBondContact O-CA 3.23Å; A118-F122 VanDerWaalsContact O-CB 3.26Å; A118-F122 WeakPolarHBondContact O-CB 3.33Å; A118-F122 PolarHBondContact O-N 3.3Å; F122-V124 PolarHBondContact O-N 3.03Å; F122-V124 VanDerWaalsContact O-N 3.12Å; F122-V128 HydrophobicContact CD1-CG1 4.18Å; F122-V128 HydrophobicContact CD1-CG2 4.23Å; F122-V128 HydrophobicContact CE1-CG1 4Å; F122-V128 HydrophobicContact CE1-CG2 4.12Å; F122-R149 PolarHBondContact O-NH1 2.84Å; F122-R149 PolarHBondContact O-NH2 2.74Å; F122-V189 HydrophobicContact CE2-CB 4.35Å; F122-V189 HydrophobicContact CE2-CG1 4.22Å; F122-V189 HydrophobicContact CE2-CG2 4.18Å; F122-V189 HydrophobicContact CZ-CB 4.09Å; F122-V189 HydrophobicContact CZ-CG1 4.42Å; F122-V189 HydrophobicContact CZ-CG2 3.93Å; F122-F197 HydrophobicContact CB-CD1 4.37Å; F122-F197 HydrophobicContact CB-CE1 4.22Å; F122-F197 HydrophobicContact CB-CZ 4.41Å; F122-F197 AromaticContact CD2-CE1 3.88Å; F122-F197 HydrophobicContact CD2-CE1 3.88Å; F122-F197 HydrophobicContact CD2-CZ 4.18Å; F122-F197 HydrophobicContact CG-CE1 4.38Å; F122-F197 HydrophobicContact CG-CZ 4.45Å; F122-V201 CarbonylContact C-O 3.57Å; F122-V201 WeakPolarHBondContact CA-O 3.43Å; F122-V201 HydrophobicContact CD2-CB 4.31Å; F122-V201 HydrophobicContact CD2-CG1 3.93Å; F122-V201 HydrophobicContact CE2-CG1 4.28Å
123	M	98.8	Very high	98.7	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	16%	0.163	C	C	.	.	S	Bend	trans	52.5	37.1	173.3	-55.9	-69.3	174.1	0	0	112.8	I97 G125 H126 V128 R149 V201 G202 V203 I205 L206	I97-M123 HydrophobicContact CB-CG 4.38Å; I97-M123 HydrophobicContact CD1-CG 4.45Å; I97-M123 HydrophobicContact CD1-SD 4.36Å; I97-M123 HydrophobicContact CG1-CG 4.3Å; I97-M123 HydrophobicContact CG1-SD 4.2Å; I97-M123 HydrophobicContact CG2-CE 4.36Å; I97-M123 HydrophobicContact CG2-CG 4.32Å; M123-G125 PolarHBondContact O-N 3.49Å; M123-H126 HydrophobicContact CB-CB 4.4Å; M123-H126 PolarHBondContact O-N 2.67Å; M123-V128 HydrophobicContact CB-CG2 3.65Å; M123-V128 HydrophobicContact CG-CG2 4.36Å; M123-R149 PolarHBondContact O-NH1 3.43Å; M123-V201 PolarHBondContact N-O 3.02Å; M123-G202 WeakPolarHBondContact CE-O 3.42Å; M123-V203 HydrophobicContact SD-CG1 4.02Å; M123-I205 HydrophobicContact CE-CD1 3.61Å; M123-I205 HydrophobicContact CE-CG1 3.66Å; M123-L206 HydrophobicContact CE-CD1 4.45Å; M123-L206 HydrophobicContact CE-CD2 3.71Å; M123-L206 HydrophobicContact CE-CG 3.97Å; M123-L206 HydrophobicContact SD-CD1 4.43Å
124	V	98.3	Very high	98.7	Very high	80 Å²	80	26.2 Å²	26.2	49%	0.485	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	131.7	-179	179.6	0	0	0	0	109.6	Q120 F122	Q120-V124 WeakPolarHBondContact O-CG2 3.39Å; F122-V124 PolarHBondContact O-N 3.03Å; F122-V124 VanDerWaalsContact O-N 3.12Å
125	G	96.9	Very high	98.6	Very high	67 Å²	67	27.9 Å²	27.9	69%	0.691	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.6	0.9	-175.3	0	0	0	0	0	115.2	M123	M123-G125 PolarHBondContact O-N 3.49Å
126	H	98.6	Very high	98.5	Very high	14 Å²	14	33 Å²	33	7%	0.065	17%	0.174	C	C	.	.	S	Bend	trans	-117.7	163.6	173.5	-60.4	-92.3	0	0	0	111.2	N87 I97 M123 V203	N87-H126 PolarHBondContact OD1-NE2 3.02Å; I97-H126 HydrophobicContact CD1-CB 3.93Å; M123-H126 HydrophobicContact CB-CB 4.4Å; M123-H126 PolarHBondContact O-N 2.67Å; H126-V203 VanDerWaalsContact CE1-CG1 3.5Å; H126-V203 WeakPolarHBondContact CE1-CG1 3.22Å; H126-V203 WeakPolarHBondContact NE2-CG1 3.3Å
127	K	98.8	Very high	98.4	Very high	80 Å²	80	32.4 Å²	32.4	35%	0.348	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	131.3	177.3	-67.1	173.8	173.2	172.2	0	110.2	N94 T96 I97 G148	N94-K127 PolarHBondContact ND2-NZ 3.4Å; N94-K127 VanDerWaalsContact OD1-CE 3.3Å; N94-K127 WeakPolarHBondContact OD1-CE 3.49Å; N94-K127 PolarHBondContact OD1-NZ 2.74Å; T96-K127 HydrophobicContact CG2-CB 3.9Å; T96-K127 WeakPolarHBondContact OG1-CD 3.18Å; I97-K127 PolarHBondContact N-O 3.5Å; K127-G148 WeakPolarHBondContact CA-O 3.19Å
128	V	98.9	Very high	98.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	137.5	-179.4	173.5	0	0	0	0	111.3	I97 F122 M123 Y130 G148 R149 Q150	I97-V128 CarbonylContact O-C 3.51Å; I97-V128 VanDerWaalsContact O-CA 3.26Å; I97-V128 WeakPolarHBondContact O-CA 3.38Å; F122-V128 HydrophobicContact CD1-CG1 4.18Å; F122-V128 HydrophobicContact CD1-CG2 4.23Å; F122-V128 HydrophobicContact CE1-CG1 4Å; F122-V128 HydrophobicContact CE1-CG2 4.12Å; M123-V128 HydrophobicContact CB-CG2 3.65Å; M123-V128 HydrophobicContact CG-CG2 4.36Å; V128-Y130 HydrophobicContact CG1-CD1 4.26Å; V128-Y130 HydrophobicContact CG1-CD2 4.23Å; V128-Y130 HydrophobicContact CG1-CE1 4.01Å; V128-Y130 HydrophobicContact CG1-CE2 3.99Å; V128-Y130 HydrophobicContact CG1-CG 4.38Å; V128-G148 PolarHBondContact N-O 3.36Å; V128-R149 HydrophobicContact CB-CG 4.31Å; V128-R149 CarbonylContact O-C 3.6Å; V128-R149 VanDerWaalsContact O-CA 3.24Å; V128-R149 WeakPolarHBondContact O-CA 3.08Å; V128-Q150 PolarHBondContact O-N 2.86Å
129	I	98.9	Very high	98.3	Very high	10 Å²	10	39.8 Å²	39.8	5%	0.051	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	114.6	168.9	-52.1	-180	0	0	0	108.1	T96 I97 G98 L99 Y131 Q150 V152 E184 V185	T96-I129 HydrophobicContact CG2-CD1 4.04Å; T96-I129 HydrophobicContact CG2-CG1 4.06Å; I97-I129 PolarHBondContact O-N 2.8Å; G98-I129 CarbonylContact C-O 3.55Å; G98-I129 VanDerWaalsContact CA-O 3.3Å; G98-I129 WeakPolarHBondContact CA-O 3.43Å; L99-I129 PolarHBondContact N-O 3.2Å; I129-Y131 HydrophobicContact CB-CE1 4.46Å; I129-Y131 HydrophobicContact CB-CE2 3.91Å; I129-Y131 HydrophobicContact CG2-CD1 4.01Å; I129-Y131 HydrophobicContact CG2-CD2 4.26Å; I129-Y131 HydrophobicContact CG2-CE1 3.42Å; I129-Y131 VanDerWaalsContact CG2-CE1 3.42Å; I129-Y131 HydrophobicContact CG2-CE2 3.7Å; I129-Y131 HydrophobicContact CG2-CG 4.41Å; I129-Y131 WeakPolarHBondContact CG2-OH 3.49Å; I129-Q150 CarbonylContact C-O 3.6Å; I129-Q150 WeakPolarHBondContact CA-O 3.4Å; I129-Q150 HydrophobicContact CB-CG 4.13Å; I129-Q150 HydrophobicContact CD1-CG 4.46Å; I129-Q150 HydrophobicContact CG1-CG 3.74Å; I129-Q150 VanDerWaalsContact CG1-NE2 3.28Å; I129-Q150 HydrophobicContact CG2-CG 3.91Å; I129-V152 HydrophobicContact CG2-CG2 4Å; I129-E184 HydrophobicContact CD1-CB 4.01Å; I129-V185 HydrophobicContact CB-CG1 4.17Å; I129-V185 HydrophobicContact CD1-CG1 3.67Å; I129-V185 HydrophobicContact CG1-CG1 4.07Å
130	Y	98.9	Very high	98.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	125.7	170.5	-58.4	-79.9	0	0	0	109.6	L99 L115 A118 E119 V128 L145 R149 Q150 L151 V152	L99-Y130 HydrophobicContact CB-CD1 4.09Å; L99-Y130 HydrophobicContact CD2-CD1 3.84Å; L99-Y130 HydrophobicContact CD2-CE1 3.77Å; L99-Y130 HydrophobicContact CG-CD1 4.37Å; L115-Y130 HydrophobicContact CD2-CD1 3.86Å; L115-Y130 HydrophobicContact CD2-CE1 4.28Å; L115-Y130 HydrophobicContact CD2-CG 4.02Å; A118-Y130 HydrophobicContact CB-CE1 3.79Å; E119-Y130 WeakPolarHBondContact OE1-CE2 3.32Å; E119-Y130 PolarHBondContact OE1-OH 3.18Å; V128-Y130 HydrophobicContact CG1-CD1 4.26Å; V128-Y130 HydrophobicContact CG1-CD2 4.23Å; V128-Y130 HydrophobicContact CG1-CE1 4.01Å; V128-Y130 HydrophobicContact CG1-CE2 3.99Å; V128-Y130 HydrophobicContact CG1-CG 4.38Å; Y130-L145 HydrophobicContact CD2-CD2 4.27Å; Y130-L145 HydrophobicContact CE2-CD2 3.94Å; Y130-R149 PolarHBondContact OH-NH2 2.64Å; Y130-Q150 WeakPolarHBondContact CD2-O 3.36Å; Y130-Q150 PolarHBondContact N-O 3.41Å; Y130-L151 HydrophobicContact CD2-CB 4.5Å; Y130-V152 PolarHBondContact O-N 2.88Å
131	Y	98.8	Very high	98.2	Very high	0 Å²	0	34 Å²	34	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	99.5	173.7	-60.5	-72.6	0	0	0	109.1	L99 T100 V101 I129 V152 L154 F181 E184 V185 L188	L99-Y131 PolarHBondContact O-N 3.33Å; T100-Y131 WeakPolarHBondContact CA-O 3.38Å; T100-Y131 HydrophobicContact CG2-CD2 4.27Å; V101-Y131 PolarHBondContact N-O 3.17Å; I129-Y131 HydrophobicContact CB-CE1 4.46Å; I129-Y131 HydrophobicContact CB-CE2 3.91Å; I129-Y131 HydrophobicContact CG2-CD1 4.01Å; I129-Y131 HydrophobicContact CG2-CD2 4.26Å; I129-Y131 HydrophobicContact CG2-CE1 3.42Å; I129-Y131 VanDerWaalsContact CG2-CE1 3.42Å; I129-Y131 HydrophobicContact CG2-CE2 3.7Å; I129-Y131 HydrophobicContact CG2-CG 4.41Å; I129-Y131 WeakPolarHBondContact CG2-OH 3.49Å; Y131-V152 WeakPolarHBondContact CA-O 3.35Å; Y131-V152 HydrophobicContact CD1-CB 3.92Å; Y131-V152 HydrophobicContact CD1-CG1 4.19Å; Y131-V152 HydrophobicContact CD1-CG2 4.45Å; Y131-V152 HydrophobicContact CE1-CB 4.26Å; Y131-V152 HydrophobicContact CE1-CG2 4.32Å; Y131-L154 HydrophobicContact CD1-CD1 4.14Å; Y131-F181 HydrophobicContact CD1-CD1 4.27Å; Y131-F181 AromaticContact CD1-CE1 3.51Å; Y131-F181 HydrophobicContact CD1-CE1 3.51Å; Y131-F181 HydrophobicContact CD1-CZ 4.34Å; Y131-F181 HydrophobicContact CD2-CD1 4.09Å; Y131-F181 AromaticContact CD2-CE1 3.63Å; Y131-F181 HydrophobicContact CD2-CE1 3.63Å; Y131-F181 HydrophobicContact CD2-CZ 4.16Å; Y131-F181 AromaticContact CE1-CD1 3.86Å; Y131-F181 HydrophobicContact CE1-CD1 3.86Å; Y131-F181 AromaticContact CE1-CE1 3.55Å; Y131-F181 HydrophobicContact CE1-CE1 3.55Å; Y131-F181 AromaticContact CE2-CD1 3.67Å; Y131-F181 HydrophobicContact CE2-CD1 3.67Å; Y131-F181 AromaticContact CE2-CE1 3.68Å; Y131-F181 HydrophobicContact CE2-CE1 3.68Å; Y131-F181 HydrophobicContact CG-CD1 4.35Å; Y131-F181 AromaticContact CG-CE1 3.52Å; Y131-F181 HydrophobicContact CG-CE1 3.52Å; Y131-F181 HydrophobicContact CG-CZ 4.02Å; Y131-F181 AromaticContact CZ-CD1 3.52Å; Y131-F181 AromaticContact CZ-CE1 3.63Å; Y131-E184 WeakPolarHBondContact CE1-OE2 3.35Å; Y131-E184 VanDerWaalsContact CZ-OE2 3.28Å; Y131-E184 VanDerWaalsContact OH-CB 3.29Å; Y131-E184 WeakPolarHBondContact OH-CB 3.28Å; Y131-E184 PolarHBondContact OH-OE2 3.39Å; Y131-V185 HydrophobicContact CE2-CG1 4.12Å; Y131-L188 HydrophobicContact CD2-CD2 4.44Å; Y131-L188 HydrophobicContact CE2-CD2 4.34Å
132	V	98.8	Very high	98.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	107	-179.9	179.6	0	0	0	0	109	V101 L111 V140 L151 V152 L154	V101-V132 HydrophobicContact CG1-CB 4.44Å; V101-V132 HydrophobicContact CG1-CG2 3.93Å; L111-V132 HydrophobicContact CD1-CG1 3.79Å; L111-V132 HydrophobicContact CD2-CG1 3.87Å; L111-V132 HydrophobicContact CD2-CG2 4.46Å; V132-V140 HydrophobicContact CG1-CG1 4.39Å; V132-V140 HydrophobicContact CG1-CG2 4.05Å; V132-L151 HydrophobicContact CG2-CD1 4.03Å; V132-L151 HydrophobicContact CG2-CD2 4.29Å; V132-L151 HydrophobicContact CG2-CG 4.1Å; V132-V152 PolarHBondContact N-O 3.14Å; V132-L154 PolarHBondContact O-N 3.36Å
133	F	98.5	Very high	98	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	120.9	173.6	-68.3	-96.9	0	0	0	109.8	T100 V101 F102 A103 L154 V156 M172 F176 F181	T100-F133 HydrophobicContact CG2-CE2 4Å; V101-F133 PolarHBondContact O-N 2.93Å; F102-F133 HydrophobicContact CB-CB 4.49Å; F102-F133 HydrophobicContact CD1-CB 3.42Å; F102-F133 VanDerWaalsContact CD1-CB 3.42Å; F102-F133 HydrophobicContact CD1-CG 4Å; F102-F133 HydrophobicContact CD2-CB 4.24Å; F102-F133 HydrophobicContact CD2-CD2 4.17Å; F102-F133 HydrophobicContact CD2-CG 4.36Å; F102-F133 HydrophobicContact CE1-CB 3.52Å; F102-F133 AromaticContact CE1-CD1 3.78Å; F102-F133 HydrophobicContact CE1-CD1 3.78Å; F102-F133 HydrophobicContact CE1-CD2 4.23Å; F102-F133 HydrophobicContact CE1-CE1 4.48Å; F102-F133 AromaticContact CE1-CG 3.6Å; F102-F133 HydrophobicContact CE1-CG 3.6Å; F102-F133 HydrophobicContact CE2-CB 4.31Å; F102-F133 AromaticContact CE2-CD2 3.74Å; F102-F133 HydrophobicContact CE2-CD2 3.74Å; F102-F133 HydrophobicContact CE2-CE2 4.11Å; F102-F133 AromaticContact CE2-CG 3.98Å; F102-F133 HydrophobicContact CE2-CG 3.98Å; F102-F133 HydrophobicContact CG-CB 3.8Å; F102-F133 HydrophobicContact CG-CG 4.36Å; F102-F133 HydrophobicContact CZ-CB 3.97Å; F102-F133 AromaticContact CZ-CD1 3.78Å; F102-F133 HydrophobicContact CZ-CD1 3.78Å; F102-F133 AromaticContact CZ-CD2 3.76Å; F102-F133 HydrophobicContact CZ-CD2 3.76Å; F102-F133 HydrophobicContact CZ-CE1 4.1Å; F102-F133 HydrophobicContact CZ-CE2 4.1Å; F102-F133 AromaticContact CZ-CG 3.57Å; F102-F133 HydrophobicContact CZ-CG 3.57Å; F102-F133 HydrophobicContact CZ-CZ 4.23Å; A103-F133 PolarHBondContact N-O 2.87Å; F133-L154 WeakPolarHBondContact CA-O 3.36Å; F133-L154 HydrophobicContact CD1-CB 3.93Å; F133-L154 HydrophobicContact CD1-CD1 4.16Å; F133-L154 HydrophobicContact CD2-CD1 4.42Å; F133-L154 HydrophobicContact CE1-CB 4.15Å; F133-L154 HydrophobicContact CE1-CD1 3.62Å; F133-L154 HydrophobicContact CE2-CD1 3.88Å; F133-L154 HydrophobicContact CG-CB 4.35Å; F133-L154 HydrophobicContact CZ-CD1 3.48Å; F133-L154 VanDerWaalsContact CZ-CD1 3.48Å; F133-V156 HydrophobicContact CB-CG2 4.34Å; F133-V156 HydrophobicContact CD1-CG1 3.71Å; F133-V156 HydrophobicContact CE1-CG1 4.46Å; F133-M172 HydrophobicContact CD1-CB 4.37Å; F133-M172 HydrophobicContact CE1-CB 4.09Å; F133-F176 AromaticContact CE1-CD2 3.51Å; F133-F176 HydrophobicContact CE1-CD2 3.51Å; F133-F176 AromaticContact CE1-CE2 3.8Å; F133-F176 HydrophobicContact CE1-CE2 3.8Å; F133-F176 HydrophobicContact CE1-CG 4.11Å; F133-F176 HydrophobicContact CZ-CB 4.29Å; F133-F176 HydrophobicContact CZ-CD2 4.06Å; F133-F176 HydrophobicContact CZ-CG 4.24Å; F133-F181 HydrophobicContact CE2-CZ 4.16Å; F133-F181 HydrophobicContact CZ-CE2 4.34Å; F133-F181 AromaticContact CZ-CZ 3.79Å; F133-F181 HydrophobicContact CZ-CZ 3.79Å
134	T	98.1	Very high	98	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	151.5	-177.4	-171.1	0	0	0	0	113.1	A103 R136 P137 V140 V153 L154 T155 V156	A103-T134 VanDerWaalsContact O-CB 3.26Å; A103-T134 WeakPolarHBondContact O-CB 3.34Å; A103-T134 PolarHBondContact O-OG1 3.42Å; T134-R136 VanDerWaalsContact C-N 3.33Å; T134-R136 PolarHBondContact OG1-N 3.01Å; T134-P137 HydrophobicContact CG2-CB 4.44Å; T134-V140 HydrophobicContact CG2-CG2 3.77Å; T134-V153 HydrophobicContact CG2-CG1 3.78Å; T134-L154 PolarHBondContact N-O 2.83Å; T134-L154 VanDerWaalsContact N-O 3.09Å; T134-T155 VanDerWaalsContact O-CA 3.3Å; T134-T155 WeakPolarHBondContact O-CA 3.33Å; T134-V156 PolarHBondContact O-N 3.49Å
135	D	96.7	Very high	98	Very high	36 Å²	36	48.4 Å²	48.4	19%	0.193	27%	0.274	C	S	.	.	S	Bend	trans	-88	-4.3	166.3	63.3	-41.5	0	0	0	112.4	I104 K105 V156 N158	I104-D135 VanDerWaalsContact CA-OD1 3.29Å; I104-D135 WeakPolarHBondContact CA-OD1 3Å; I104-D135 HydrophobicContact CD1-CB 4.43Å; K105-D135 PolarHBondContact N-OD1 3.4Å; D135-V156 WeakPolarHBondContact CA-O 3.47Å; D135-V156 WeakPolarHBondContact CB-O 3.43Å; D135-N158 HydrophobicContact CB-CB 3.91Å; D135-N158 WeakPolarHBondContact OD2-CB 3.29Å; D135-N158 PolarHBondContact OD2-ND2 3.11Å
136	R	97.5	Very high	98	Very high	107 Å²	107	46.9 Å²	46.9	40%	0.404	26%	0.258	S	S	.	.			trans	-130.5	66.2	-173.3	-62.2	177	66.6	147.3	1.2	111	K105 V108 T134 A138 D139	K105-R136 WeakPolarHBondContact O-CD 3.35Å; V108-R136 HydrophobicContact CG1-CB 4.08Å; T134-R136 VanDerWaalsContact C-N 3.33Å; T134-R136 PolarHBondContact OG1-N 3.01Å; R136-A138 PolarHBondContact O-N 2.98Å; R136-A138 VanDerWaalsContact O-N 3.16Å; R136-D139 HydrophobicContact CB-CB 4.18Å; R136-D139 IonicContact CZ-OD2 3.78Å; R136-D139 IonicContact NE-OD2 2.82Å; R136-D139 PolarHBondContact NE-OD2 2.98Å; R136-D139 IonicContact NH2-OD2 3.9Å; R136-D139 PolarHBondContact NH2-OD2 3.04Å; R136-D139 PolarHBondContact O-N 3.42Å
137	P	97.7	Very high	97.9	Very high	63 Å²	63	51.2 Å²	51.2	41%	0.409	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-59.7	-30.5	-173.8	23.4	-34.3	0	0	0	113.9	T134 D139 V140 V153	T134-P137 HydrophobicContact CG2-CB 4.44Å; P137-D139 PolarHBondContact O-N 3.02Å; P137-V140 PolarHBondContact O-N 3.14Å; P137-V153 HydrophobicContact CB-CG1 3.92Å
138	A	97.6	Very high	97.8	Very high	99 Å²	99	50 Å²	50	82%	0.818	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-68.6	-20.2	177	0	0	0	0	0	113.6	R136	R136-A138 PolarHBondContact O-N 2.98Å; R136-A138 VanDerWaalsContact O-N 3.16Å
139	D	97.6	Very high	97.8	Very high	70 Å²	70	51.4 Å²	51.4	37%	0.374	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-94.6	1.9	-179.3	-63.2	-39.8	0	0	0	112.8	V108 R136 P137	V108-D139 HydrophobicContact CB-CB 4.24Å; V108-D139 HydrophobicContact CG1-CB 4.39Å; V108-D139 HydrophobicContact CG2-CB 4.1Å; R136-D139 HydrophobicContact CB-CB 4.18Å; R136-D139 IonicContact CZ-OD2 3.78Å; R136-D139 IonicContact NE-OD2 2.82Å; R136-D139 PolarHBondContact NE-OD2 2.98Å; R136-D139 IonicContact NH2-OD2 3.9Å; R136-D139 PolarHBondContact NH2-OD2 3.04Å; R136-D139 PolarHBondContact O-N 3.42Å; P137-D139 PolarHBondContact O-N 3.02Å
140	V	98.3	Very high	97.8	Very high	12 Å²	12	55.3 Å²	55.3	7%	0.073	33%	0.33	C	S	.	.	S	Bend	trans	-70.4	121.6	173	-179.9	0	0	0	0	108.6	L111 V132 T134 P137 L151 V153	L111-V140 HydrophobicContact CD1-CG1 4.42Å; L111-V140 HydrophobicContact CD1-CG2 4.16Å; V132-V140 HydrophobicContact CG1-CG1 4.39Å; V132-V140 HydrophobicContact CG1-CG2 4.05Å; T134-V140 HydrophobicContact CG2-CG2 3.77Å; P137-V140 PolarHBondContact O-N 3.14Å; V140-L151 HydrophobicContact CG1-CD2 4.21Å; V140-V153 HydrophobicContact CB-CG2 4.22Å; V140-V153 HydrophobicContact CG1-CG2 3.99Å; V140-V153 HydrophobicContact CG2-CG1 4.07Å; V140-V153 HydrophobicContact CG2-CG2 4.06Å
141	P	97.6	Very high	97.8	Very high	30 Å²	30	57.7 Å²	57.7	20%	0.195	34%	0.343	C	S	.	.			trans	-69.1	145.2	-175.1	28.8	-35	0	0	0	111.3	L111 K112 L115 V143	L111-P141 HydrophobicContact CB-CG 3.88Å; K112-P141 HydrophobicContact CB-CB 4.13Å; K112-P141 HydrophobicContact CB-CG 3.99Å; K112-P141 HydrophobicContact CG-CB 4.41Å; L115-P141 HydrophobicContact CD1-CG 4.2Å; P141-V143 HydrophobicContact CB-CG2 4.29Å; P141-V143 HydrophobicContact CG-CG2 4.2Å; P141-V143 PolarHBondContact O-N 3.21Å
142	Q	96.1	Very high	97.8	Very high	190 Å²	190	58.7 Å²	58.7	89%	0.888	35%	0.349	S	S	*	.			trans	-76.1	114.6	166.9	-63	-61.9	-48.5	0	0	108.6
143	V	96.9	Very high	97.8	Very high	27 Å²	27	61.3 Å²	61.3	16%	0.164	37%	0.365	C	S	.	.			trans	-118.7	139.2	178.8	-178.7	0	0	0	0	108.6	L115 E116 P141 L145	L115-V143 HydrophobicContact CB-CB 4.37Å; L115-V143 HydrophobicContact CB-CG1 4.29Å; L115-V143 HydrophobicContact CB-CG2 3.91Å; L115-V143 HydrophobicContact CD1-CG2 4.1Å; E116-V143 HydrophobicContact CG-CG1 3.96Å; E116-V143 HydrophobicContact CG-CG2 4.41Å; P141-V143 HydrophobicContact CB-CG2 4.29Å; P141-V143 HydrophobicContact CG-CG2 4.2Å; P141-V143 PolarHBondContact O-N 3.21Å; V143-L145 HydrophobicContact CG1-CD2 4.44Å; V143-L145 PolarHBondContact O-N 3.48Å
144	I	97.5	Very high	97.7	Very high	161 Å²	161	61.7 Å²	61.7	83%	0.826	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-71.8	120.7	175.8	-59.7	173.4	0	0	0	107.9
145	L	98.4	Very high	97.7	Very high	51 Å²	51	66.2 Å²	66.2	27%	0.267	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-102.4	139.5	178.9	-53	-178.9	0	0	0	110.7	E119 Y130 V143 R149 L151	E119-L145 HydrophobicContact CG-CD2 4.11Å; E119-L145 WeakPolarHBondContact OE2-CA 3.37Å; Y130-L145 HydrophobicContact CD2-CD2 4.27Å; Y130-L145 HydrophobicContact CE2-CD2 3.94Å; V143-L145 HydrophobicContact CG1-CD2 4.44Å; V143-L145 PolarHBondContact O-N 3.48Å; L145-R149 HydrophobicContact CB-CB 4.3Å; L145-L151 HydrophobicContact CD1-CB 3.78Å
146	G	97.6	Very high	97.5	Very high	34 Å²	34	65 Å²	65	35%	0.351	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-65.7	165.5	172.9	0	0	0	0	0	112.9	E119 G148 R149	E119-G146 PolarHBondContact OE2-N 3.49Å; G146-G148 PolarHBondContact O-N 2.89Å; G146-R149 VanDerWaalsContact O-CB 3.31Å; G146-R149 WeakPolarHBondContact O-CB 3.37Å; G146-R149 PolarHBondContact O-N 2.84Å
147	A	97	Very high	97.1	Very high	106 Å²	106	67.3 Å²	67.3	88%	0.876	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	137.7	179.7	0	0	0	0	0	112.2	R149	A147-R149 VanDerWaalsContact C-N 3.26Å; A147-R149 PolarHBondContact O-N 2.99Å
148	G	97.4	Very high	96.6	Very high	55 Å²	55	68.1 Å²	68.1	57%	0.567	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	14.1	-178.7	0	0	0	0	0	114.3	K127 V128 G146	K127-G148 WeakPolarHBondContact CA-O 3.19Å; V128-G148 PolarHBondContact N-O 3.36Å; G146-G148 PolarHBondContact O-N 2.89Å
149	R	98.7	Very high	95.9	Very high	28 Å²	28	65.7 Å²	65.7	11%	0.106	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	141.6	179.5	-49.1	175.8	72.5	92.2	-11.8	110.2	E119 F122 M123 V128 Y130 L145 G146 A147	E119-R149 WeakPolarHBondContact OE1-CD 3.49Å; E119-R149 IonicContact OE1-CZ 2.76Å; E119-R149 IonicContact OE1-NE 3.02Å; E119-R149 PolarHBondContact OE1-NE 3.45Å; E119-R149 IonicContact OE1-NH2 3.71Å; E119-R149 WeakPolarHBondContact OE2-CD 3.39Å; E119-R149 IonicContact OE2-NE 3.19Å; E119-R149 PolarHBondContact OE2-NE 2.97Å; F122-R149 PolarHBondContact O-NH1 2.84Å; F122-R149 PolarHBondContact O-NH2 2.74Å; M123-R149 PolarHBondContact O-NH1 3.43Å; V128-R149 HydrophobicContact CB-CG 4.31Å; V128-R149 CarbonylContact O-C 3.6Å; V128-R149 VanDerWaalsContact O-CA 3.24Å; V128-R149 WeakPolarHBondContact O-CA 3.08Å; Y130-R149 PolarHBondContact OH-NH2 2.64Å; L145-R149 HydrophobicContact CB-CB 4.3Å; G146-R149 VanDerWaalsContact O-CB 3.31Å; G146-R149 WeakPolarHBondContact O-CB 3.37Å; G146-R149 PolarHBondContact O-N 2.84Å; A147-R149 VanDerWaalsContact C-N 3.26Å; A147-R149 PolarHBondContact O-N 2.99Å
150	Q	98.4	Very high	95.1	Very high	92 Å²	92	68.6 Å²	68.6	43%	0.43	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	154.8	-178.7	61.6	177.1	13.5	0	0	111.2	V128 I129 Y130	V128-Q150 PolarHBondContact O-N 2.86Å; I129-Q150 CarbonylContact C-O 3.6Å; I129-Q150 WeakPolarHBondContact CA-O 3.4Å; I129-Q150 HydrophobicContact CB-CG 4.13Å; I129-Q150 HydrophobicContact CD1-CG 4.46Å; I129-Q150 HydrophobicContact CG1-CG 3.74Å; I129-Q150 VanDerWaalsContact CG1-NE2 3.28Å; I129-Q150 HydrophobicContact CG2-CG 3.91Å; Y130-Q150 WeakPolarHBondContact CD2-O 3.36Å; Y130-Q150 PolarHBondContact N-O 3.41Å
151	L	98.7	Very high	94.5	Very high	51 Å²	51	72.8 Å²	72.8	27%	0.267	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	131.4	176	-175.9	154.6	0	0	0	109.7	L115 Y130 V132 V140 L145 V153	L115-L151 HydrophobicContact CD1-CD1 3.59Å; L115-L151 HydrophobicContact CD2-CD1 3.94Å; L115-L151 HydrophobicContact CG-CD1 4.42Å; Y130-L151 HydrophobicContact CD2-CB 4.5Å; V132-L151 HydrophobicContact CG2-CD1 4.03Å; V132-L151 HydrophobicContact CG2-CD2 4.29Å; V132-L151 HydrophobicContact CG2-CG 4.1Å; V140-L151 HydrophobicContact CG1-CD2 4.21Å; L145-L151 HydrophobicContact CD1-CB 3.78Å; L151-V153 HydrophobicContact CD2-CG2 3.64Å
152	V	98.4	Very high	93.6	Very high	20 Å²	20	74.9 Å²	74.9	12%	0.121	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	123.1	178.1	175.9	0	0	0	0	108.2	I129 Y130 Y131 V132 L154 R180	I129-V152 HydrophobicContact CG2-CG2 4Å; Y130-V152 PolarHBondContact O-N 2.88Å; Y131-V152 WeakPolarHBondContact CA-O 3.35Å; Y131-V152 HydrophobicContact CD1-CB 3.92Å; Y131-V152 HydrophobicContact CD1-CG1 4.19Å; Y131-V152 HydrophobicContact CD1-CG2 4.45Å; Y131-V152 HydrophobicContact CE1-CB 4.26Å; Y131-V152 HydrophobicContact CE1-CG2 4.32Å; V132-V152 PolarHBondContact N-O 3.14Å; V152-L154 HydrophobicContact CG1-CD2 3.68Å; V152-L154 HydrophobicContact CG1-CG 4.17Å; V152-R180 VanDerWaalsContact CG1-CZ 3.44Å; V152-R180 VanDerWaalsContact CG1-NH1 3.28Å
153	V	98.5	Very high	92.9	Very high	55 Å²	55	67.4 Å²	67.4	33%	0.333	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	125.7	172.8	-175.8	0	0	0	0	109.2	T134 P137 V140 L151	T134-V153 HydrophobicContact CG2-CG1 3.78Å; P137-V153 HydrophobicContact CB-CG1 3.92Å; V140-V153 HydrophobicContact CB-CG2 4.22Å; V140-V153 HydrophobicContact CG1-CG2 3.99Å; V140-V153 HydrophobicContact CG2-CG1 4.07Å; V140-V153 HydrophobicContact CG2-CG2 4.06Å; L151-V153 HydrophobicContact CD2-CG2 3.64Å
154	L	97.9	Very high	92.3	Very high	8 Å²	8	68.2 Å²	68.2	4%	0.042	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	105.7	177.8	-59.8	179.8	0	0	0	108.6	Y131 V132 F133 T134 V152 V156 F176 F181	Y131-L154 HydrophobicContact CD1-CD1 4.14Å; V132-L154 PolarHBondContact O-N 3.36Å; F133-L154 WeakPolarHBondContact CA-O 3.36Å; F133-L154 HydrophobicContact CD1-CB 3.93Å; F133-L154 HydrophobicContact CD1-CD1 4.16Å; F133-L154 HydrophobicContact CD2-CD1 4.42Å; F133-L154 HydrophobicContact CE1-CB 4.15Å; F133-L154 HydrophobicContact CE1-CD1 3.62Å; F133-L154 HydrophobicContact CE2-CD1 3.88Å; F133-L154 HydrophobicContact CG-CB 4.35Å; F133-L154 HydrophobicContact CZ-CD1 3.48Å; F133-L154 VanDerWaalsContact CZ-CD1 3.48Å; T134-L154 PolarHBondContact N-O 2.83Å; T134-L154 VanDerWaalsContact N-O 3.09Å; V152-L154 HydrophobicContact CG1-CD2 3.68Å; V152-L154 HydrophobicContact CG1-CG 4.17Å; L154-V156 PolarHBondContact O-N 3.43Å; L154-F176 HydrophobicContact CB-CZ 4.23Å; L154-F176 HydrophobicContact CD1-CD1 3.78Å; L154-F176 HydrophobicContact CD1-CD2 4.45Å; L154-F176 HydrophobicContact CD1-CE1 3.85Å; L154-F176 HydrophobicContact CD1-CE2 4.48Å; L154-F176 HydrophobicContact CD1-CG 4.08Å; L154-F176 HydrophobicContact CD1-CZ 4.19Å; L154-F176 HydrophobicContact CD2-CD1 4.23Å; L154-F176 HydrophobicContact CD2-CE1 3.63Å; L154-F176 HydrophobicContact CD2-CZ 4.13Å; L154-F176 HydrophobicContact CG-CE1 4.21Å; L154-F176 HydrophobicContact CG-CZ 4.42Å; L154-F181 HydrophobicContact CD1-CE1 4.29Å; L154-F181 HydrophobicContact CD1-CZ 4.21Å
155	T	96.3	Very high	91.4	Very high	95 Å²	95	62 Å²	62	58%	0.583	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	125.1	-179.4	-55.5	0	0	0	0	110.8	T134	T134-T155 VanDerWaalsContact O-CA 3.3Å; T134-T155 WeakPolarHBondContact O-CA 3.33Å
156	V	93.9	Very high	90.3	Very high	12 Å²	12	60.7 Å²	60.7	7%	0.073	34%	0.34	C	S	.	.			trans	-132.3	158.4	179.8	-58.2	0	0	0	0	110.7	I104 F133 T134 D135 L154 M172	I104-V156 HydrophobicContact CD1-CG2 3.51Å; F133-V156 HydrophobicContact CB-CG2 4.34Å; F133-V156 HydrophobicContact CD1-CG1 3.71Å; F133-V156 HydrophobicContact CE1-CG1 4.46Å; T134-V156 PolarHBondContact O-N 3.49Å; D135-V156 WeakPolarHBondContact CA-O 3.47Å; D135-V156 WeakPolarHBondContact CB-O 3.43Å; L154-V156 PolarHBondContact O-N 3.43Å; V156-M172 HydrophobicContact CB-CE 4.12Å; V156-M172 HydrophobicContact CG1-CE 3.33Å; V156-M172 HydrophobicContact CG1-CG 4.47Å
157	R	89.1	Confident	89.6	Confident	155 Å²	155	60.2 Å²	60.2	59%	0.585	33%	0.329	S	S	*	.			trans	-69	149.7	175.8	66.9	179.6	178.5	-172.5	-1.8	111	Y159	R157-Y159 HydrophobicContact CG-CE2 3.95Å; R157-Y159 VanDerWaalsContact NE-CZ 3.25Å; R157-Y159 PolarHBondContact NE-OH 2.64Å; R157-Y159 PolarHBondContact NH2-OH 3.09Å
158	N	85.6	Confident	89.2	Confident	80 Å²	80	55.8 Å²	55.8	43%	0.428	29%	0.291	S	S	.	.			trans	-89.9	167.6	165.2	68.5	27.5	0	0	0	111.3	I104 K105 D135	I104-N158 HydrophobicContact CG2-CB 3.7Å; K105-N158 HydrophobicContact CG-CB 4.34Å; D135-N158 HydrophobicContact CB-CB 3.91Å; D135-N158 WeakPolarHBondContact OD2-CB 3.29Å; D135-N158 PolarHBondContact OD2-ND2 3.11Å
159	Y	82.9	Confident	89	Confident	47 Å²	47	54 Å²	54	18%	0.184	27%	0.267	C	S	.	.			trans	-127.6	155.3	173.5	-65.6	-99.1	0	0	0	109.8	K105 R157 D164 V165 H168	K105-Y159 WeakPolarHBondContact CE-O 3.42Å; K105-Y159 PolarHBondContact NZ-O 2.79Å; R157-Y159 HydrophobicContact CG-CE2 3.95Å; R157-Y159 VanDerWaalsContact NE-CZ 3.25Å; R157-Y159 PolarHBondContact NE-OH 2.64Å; R157-Y159 PolarHBondContact NH2-OH 3.09Å; Y159-D164 HydrophobicContact CD1-CB 3.96Å; Y159-D164 HydrophobicContact CG-CB 3.84Å; Y159-V165 HydrophobicContact CD2-CG2 4.48Å; Y159-H168 HydrophobicContact CD2-CB 4.37Å; Y159-H168 HydrophobicContact CE2-CB 3.71Å; Y159-H168 AromaticContact CE2-CD2 3.27Å; Y159-H168 WeakPolarHBondContact CE2-CD2 3.21Å; Y159-H168 AromaticContact CE2-CG 3.4Å; Y159-H168 VanDerWaalsContact CE2-CG 3.4Å; Y159-H168 AromaticContact CE2-ND1 3.97Å; Y159-H168 AromaticContact CE2-NE2 3.69Å; Y159-H168 AromaticContact CZ-CD2 3.85Å; Y159-H168 AromaticContact CZ-CE1 3.97Å; Y159-H168 AromaticContact CZ-CG 3.67Å; Y159-H168 AromaticContact CZ-ND1 3.76Å; Y159-H168 AromaticContact CZ-NE2 3.93Å; Y159-H168 PolarHBondContact OH-CD2 3.45Å; Y159-H168 PolarHBondContact OH-CE1 3.49Å; Y159-H168 VanDerWaalsContact OH-CG 3.22Å; Y159-H168 PolarHBondContact OH-ND1 3.38Å; Y159-H168 PolarHBondContact OH-NE2 2.79Å
160	T	81.4	Confident	88.9	Confident	131 Å²	131	52.8 Å²	52.8	80%	0.804	26%	0.262	S	S	*	.	S	Bend	trans	-63.5	-49	-179.3	-47.6	0	0	0	0	111.5	K105	K105-T160 PolarHBondContact NZ-O 2.85Å
161	R	85	Confident	88.8	Confident	101 Å²	101	51.2 Å²	51.2	38%	0.381	26%	0.255	S	S	.	.	S	Bend	trans	-86.4	141.4	-178.5	-61.2	171.9	65.2	-136.7	4.2	111.4	Q163 D164 V165 E278	R161-Q163 PolarHBondContact O-N 2.61Å; R161-D164 HydrophobicContact CB-CB 4.4Å; R161-D164 WeakPolarHBondContact CB-OD2 3.47Å; R161-D164 IonicContact NH1-OD1 2.93Å; R161-D164 PolarHBondContact NH1-OD1 3.43Å; R161-D164 PolarHBondContact O-N 3.13Å; R161-V165 PolarHBondContact O-N 3.27Å; R161-E278 IonicContact CZ-OE1 3.49Å; R161-E278 IonicContact CZ-OE2 2.87Å; R161-E278 IonicContact NH1-OE1 2.59Å; R161-E278 IonicContact NH1-OE2 3.3Å; R161-E278 PolarHBondContact NH1-OE2 2.87Å; R161-E278 VanDerWaalsContact NH2-CD 3.35Å; R161-E278 IonicContact NH2-OE1 3.35Å; R161-E278 PolarHBondContact NH2-OE1 2.71Å; R161-E278 IonicContact NH2-OE2 2.87Å; R161-E278 PolarHBondContact NH2-OE2 2.81Å; R161-E278 VanDerWaalsContact NH2-OE2 3.11Å
162	W	79.9	Confident	88.7	Confident	73 Å²	73	50 Å²	50	28%	0.277	25%	0.248	S	C	.	.	H	α-helix	trans	-66.7	-28.9	176.5	70.1	-93.9	0	0	0	112.2	V165 S166 H282 R333	W162-V165 WeakPolarHBondContact O-CB 3.12Å; W162-V165 PolarHBondContact O-N 2.85Å; W162-S166 PolarHBondContact O-N 3.33Å; W162-H282 AromaticContact CH2-CE1 3.33Å; W162-H282 WeakPolarHBondContact CH2-CE1 3.11Å; W162-H282 AromaticContact CH2-ND1 3.66Å; W162-H282 AromaticContact CZ2-CE1 3.92Å; W162-H282 AromaticContact CZ3-ND1 3.96Å; W162-R333 HydrophobicContact CB-CB 4.07Å; W162-R333 HydrophobicContact CB-CG 4.02Å; W162-R333 HydrophobicContact CG-CB 4.18Å; W162-R333 HydrophobicContact CG-CG 4.04Å
163	Q	81.3	Confident	88.7	Confident	34 Å²	34	49.1 Å²	49.1	16%	0.159	24%	0.243	C	C	.	.	H	α-helix	trans	-58.9	-48.6	173.6	-64.2	89.2	-23.7	0	0	111.1	R161 V165 S166 M167 H282	R161-Q163 PolarHBondContact O-N 2.61Å; Q163-V165 VanDerWaalsContact C-N 3.29Å; Q163-V165 PolarHBondContact O-N 2.96Å; Q163-S166 PolarHBondContact O-N 3.49Å; Q163-S166 VanDerWaalsContact O-N 3.16Å; Q163-M167 HydrophobicContact CB-CE 4.33Å; Q163-M167 WeakPolarHBondContact O-CB 3.45Å; Q163-M167 WeakPolarHBondContact O-CG 3.2Å; Q163-M167 PolarHBondContact O-N 3.35Å; Q163-H282 WeakPolarHBondContact CG-CD2 3.22Å; Q163-H282 WeakPolarHBondContact CG-NE2 3.41Å
164	D	83.8	Confident	88.6	Confident	43 Å²	43	47.1 Å²	47.1	23%	0.23	23%	0.231	C	C	.	.	H	α-helix	trans	-64.6	-37.2	179.2	-59.9	-25.7	0	0	0	110.8	Y159 R161 H168	Y159-D164 HydrophobicContact CD1-CB 3.96Å; Y159-D164 HydrophobicContact CG-CB 3.84Å; R161-D164 HydrophobicContact CB-CB 4.4Å; R161-D164 WeakPolarHBondContact CB-OD2 3.47Å; R161-D164 IonicContact NH1-OD1 2.93Å; R161-D164 PolarHBondContact NH1-OD1 3.43Å; R161-D164 PolarHBondContact O-N 3.13Å; D164-H168 WeakPolarHBondContact O-CB 3.47Å; D164-H168 PolarHBondContact O-N 3.33Å
165	V	78.2	Confident	88.6	Confident	30 Å²	30	50 Å²	50	18%	0.182	24%	0.244	C	C	.	.	H	α-helix	trans	-61.2	-45.3	173.1	173.9	0	0	0	0	111.2	I104 Y159 R161 W162 Q163 R169	I104-V165 HydrophobicContact CB-CG1 3.74Å; I104-V165 HydrophobicContact CG1-CG1 3.88Å; I104-V165 HydrophobicContact CG2-CG1 3.92Å; I104-V165 HydrophobicContact CG2-CG2 3.98Å; Y159-V165 HydrophobicContact CD2-CG2 4.48Å; R161-V165 PolarHBondContact O-N 3.27Å; W162-V165 WeakPolarHBondContact O-CB 3.12Å; W162-V165 PolarHBondContact O-N 2.85Å; Q163-V165 VanDerWaalsContact C-N 3.29Å; Q163-V165 PolarHBondContact O-N 2.96Å; V165-R169 WeakPolarHBondContact O-CG 3.44Å
166	S	76.7	Confident	88.7	Confident	24 Å²	24	47.2 Å²	47.2	17%	0.168	22%	0.224	C	C	.	.	H	α-helix	trans	-66.3	-45.8	179.8	-162.4	0	0	0	0	112.2	W162 Q163 R169 D283	W162-S166 PolarHBondContact O-N 3.33Å; Q163-S166 PolarHBondContact O-N 3.49Å; Q163-S166 VanDerWaalsContact O-N 3.16Å; S166-R169 WeakPolarHBondContact O-CB 3.3Å; S166-R169 VanDerWaalsContact O-CG 3.26Å; S166-R169 WeakPolarHBondContact O-CG 3.47Å; S166-R169 PolarHBondContact O-N 3.02Å; S166-R169 PolarHBondContact O-NE 2.8Å; S166-R169 VanDerWaalsContact O-NE 3.17Å; S166-D283 WeakPolarHBondContact CB-OD1 3.38Å; S166-D283 PolarHBondContact OG-OD1 2.99Å; S166-D283 PolarHBondContact OG-OD2 3.47Å
167	M	82.4	Confident	88.8	Confident	25 Å²	25	46.6 Å²	46.6	12%	0.123	22%	0.22	C	C	.	.	H	α-helix	trans	-67.9	-37.3	179.8	-69.4	-171.2	-63.3	0	0	112.6	Q163 R169 M170 M269 E278 H282	Q163-M167 HydrophobicContact CB-CE 4.33Å; Q163-M167 WeakPolarHBondContact O-CB 3.45Å; Q163-M167 WeakPolarHBondContact O-CG 3.2Å; Q163-M167 PolarHBondContact O-N 3.35Å; M167-R169 PolarHBondContact O-N 3.26Å; M167-R169 VanDerWaalsContact O-N 3.12Å; M167-M170 PolarHBondContact O-N 2.86Å; M167-M269 HydrophobicContact CB-CE 4.15Å; M167-M269 HydrophobicContact CB-SD 3.78Å; M167-M269 HydrophobicContact CG-CE 4.19Å; M167-M269 HydrophobicContact CG-SD 4.25Å; M167-E278 HydrophobicContact CE-CG 4.27Å; M167-E278 WeakPolarHBondContact CE-OE2 3.35Å; M167-E278 HydrophobicContact SD-CG 4.34Å; M167-H282 HydrophobicContact CG-CB 3.85Å; M167-H282 HydrophobicContact SD-CB 4.22Å
168	H	88.8	Confident	89.1	Confident	13 Å²	13	44.2 Å²	44.2	6%	0.06	22%	0.216	C	C	.	.	H	α-helix	trans	-65.1	-16	179.6	-172.9	60.4	0	0	0	113.6	Y159 D164 M170 E171 M172	Y159-H168 HydrophobicContact CD2-CB 4.37Å; Y159-H168 HydrophobicContact CE2-CB 3.71Å; Y159-H168 AromaticContact CE2-CD2 3.27Å; Y159-H168 WeakPolarHBondContact CE2-CD2 3.21Å; Y159-H168 AromaticContact CE2-CG 3.4Å; Y159-H168 VanDerWaalsContact CE2-CG 3.4Å; Y159-H168 AromaticContact CE2-ND1 3.97Å; Y159-H168 AromaticContact CE2-NE2 3.69Å; Y159-H168 AromaticContact CZ-CD2 3.85Å; Y159-H168 AromaticContact CZ-CE1 3.97Å; Y159-H168 AromaticContact CZ-CG 3.67Å; Y159-H168 AromaticContact CZ-ND1 3.76Å; Y159-H168 AromaticContact CZ-NE2 3.93Å; Y159-H168 PolarHBondContact OH-CD2 3.45Å; Y159-H168 PolarHBondContact OH-CE1 3.49Å; Y159-H168 VanDerWaalsContact OH-CG 3.22Å; Y159-H168 PolarHBondContact OH-ND1 3.38Å; Y159-H168 PolarHBondContact OH-NE2 2.79Å; D164-H168 WeakPolarHBondContact O-CB 3.47Å; D164-H168 PolarHBondContact O-N 3.33Å; H168-M170 PolarHBondContact O-N 2.83Å; H168-E171 IonicContact CE1-OE1 3.4Å; H168-E171 IonicContact CE1-OE2 2.88Å; H168-E171 PolarHBondContact CE1-OE2 2.63Å; H168-E171 IonicContact CG-OE2 2.6Å; H168-E171 IonicContact ND1-OE2 3.65Å; H168-E171 PolarHBondContact ND1-OE2 2.59Å; H168-E171 WeakPolarHBondContact O-CB 3.22Å; H168-E171 PolarHBondContact O-N 3.19Å; H168-M172 VanDerWaalsContact CD2-CG 3.42Å; H168-M172 WeakPolarHBondContact CD2-CG 3.48Å; H168-M172 PolarHBondContact CE1-SD 2.79Å; H168-M172 VanDerWaalsContact NE2-CG 3.27Å; H168-M172 WeakPolarHBondContact NE2-CG 3.22Å; H168-M172 PolarHBondContact NE2-SD 3.16Å; H168-M172 WeakPolarHBondContact O-CG 3.19Å; H168-M172 PolarHBondContact O-N 3.21Å
169	R	92.9	Very high	89.5	Confident	18 Å²	18	48.4 Å²	48.4	7%	0.068	23%	0.226	C	C	.	.	H	α-helix	trans	-56.9	-39.3	174.1	-59.3	-172.1	-62.9	154.8	-4.7	111.8	F102 V165 S166 M167 M172 I173 D192 D283	F102-R169 HydrophobicContact CB-CG 4.24Å; F102-R169 HydrophobicContact CD1-CG 3.78Å; F102-R169 HydrophobicContact CD2-CB 4.09Å; F102-R169 HydrophobicContact CD2-CG 3.67Å; F102-R169 HydrophobicContact CE1-CB 4.27Å; F102-R169 HydrophobicContact CE1-CG 3.99Å; F102-R169 HydrophobicContact CE2-CB 3.83Å; F102-R169 HydrophobicContact CE2-CG 3.9Å; F102-R169 HydrophobicContact CG-CB 4.45Å; F102-R169 HydrophobicContact CG-CG 3.62Å; F102-R169 HydrophobicContact CZ-CB 3.93Å; F102-R169 HydrophobicContact CZ-CG 4.06Å; V165-R169 WeakPolarHBondContact O-CG 3.44Å; S166-R169 WeakPolarHBondContact O-CB 3.3Å; S166-R169 VanDerWaalsContact O-CG 3.26Å; S166-R169 WeakPolarHBondContact O-CG 3.47Å; S166-R169 PolarHBondContact O-N 3.02Å; S166-R169 PolarHBondContact O-NE 2.8Å; S166-R169 VanDerWaalsContact O-NE 3.17Å; M167-R169 PolarHBondContact O-N 3.26Å; M167-R169 VanDerWaalsContact O-N 3.12Å; R169-M172 PolarHBondContact O-N 3.23Å; R169-I173 HydrophobicContact CB-CD1 4.39Å; R169-I173 WeakPolarHBondContact O-CB 3.29Å; R169-I173 WeakPolarHBondContact O-CD1 3.29Å; R169-I173 WeakPolarHBondContact O-CG1 3.33Å; R169-I173 PolarHBondContact O-N 3.12Å; R169-D192 IonicContact CZ-OD1 3.48Å; R169-D192 IonicContact NH1-OD1 2.71Å; R169-D192 PolarHBondContact NH1-OD1 2.97Å; R169-D192 IonicContact NH2-OD1 3.63Å; R169-D192 PolarHBondContact NH2-OD1 2.82Å; R169-D283 IonicContact CZ-OD2 2.72Å; R169-D283 IonicContact NE-OD2 3.55Å; R169-D283 IonicContact NH2-OD2 2.65Å; R169-D283 PolarHBondContact NH2-OD2 2.87Å
170	M	96.1	Very high	90.2	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-45.7	178.9	-63.6	-61.1	179.1	0	0	111.5	M167 H168 S174 F251 L261 T262 C265 H266 M269 D283	M167-M170 PolarHBondContact O-N 2.86Å; H168-M170 PolarHBondContact O-N 2.83Å; M170-S174 WeakPolarHBondContact O-CB 3.36Å; M170-S174 PolarHBondContact O-N 2.78Å; M170-S174 PolarHBondContact O-OG 3.49Å; M170-F251 HydrophobicContact CE-CE1 4.19Å; M170-F251 HydrophobicContact CE-CZ 4.09Å; M170-F251 HydrophobicContact SD-CZ 4.22Å; M170-L261 HydrophobicContact CE-CD2 4.22Å; M170-L261 HydrophobicContact SD-CD2 3.83Å; M170-T262 WeakPolarHBondContact O-CB 3.42Å; M170-T262 HydrophobicContact SD-CG2 3.79Å; M170-C265 HydrophobicContact CB-CB 4.28Å; M170-C265 HydrophobicContact CG-CB 3.91Å; M170-C265 HydrophobicContact SD-CB 4.06Å; M170-H266 HydrophobicContact CB-CB 4.26Å; M170-M269 HydrophobicContact CB-CE 4.23Å; M170-M269 HydrophobicContact CB-SD 4.38Å; M170-M269 HydrophobicContact CG-CE 3.65Å; M170-M269 HydrophobicContact CG-SD 4.43Å; M170-D283 HydrophobicContact CE-CB 3.92Å; M170-D283 HydrophobicContact CG-CB 4.33Å
171	E	96.3	Very high	91	Very high	58 Å²	58	43.3 Å²	43.3	27%	0.271	19%	0.191	S	C	.	.	H	α-helix	trans	-58.2	-52.4	174.6	-173.2	-178.1	163.4	0	0	111.1	H168 I173 S174 H175 H266	H168-E171 IonicContact CE1-OE1 3.4Å; H168-E171 IonicContact CE1-OE2 2.88Å; H168-E171 PolarHBondContact CE1-OE2 2.63Å; H168-E171 IonicContact CG-OE2 2.6Å; H168-E171 IonicContact ND1-OE2 3.65Å; H168-E171 PolarHBondContact ND1-OE2 2.59Å; H168-E171 WeakPolarHBondContact O-CB 3.22Å; H168-E171 PolarHBondContact O-N 3.19Å; E171-I173 PolarHBondContact O-N 3.49Å; E171-S174 PolarHBondContact O-N 2.85Å; E171-S174 PolarHBondContact O-OG 2.92Å; E171-H175 WeakPolarHBondContact O-CB 3.45Å; E171-H175 PolarHBondContact O-N 2.8Å; E171-H266 IonicContact OE2-CE1 3.44Å; E171-H266 PolarHBondContact OE2-CE1 3.32Å
172	M	97	Very high	91.6	Very high	25 Å²	25	42.8 Å²	42.8	12%	0.123	20%	0.196	C	C	.	.	H	α-helix	trans	-66.7	-41.4	-175	-65.6	-47.7	-71.1	0	0	112.9	F102 F133 V156 H168 R169 H175 F176	F102-M172 HydrophobicContact CE1-CB 3.9Å; F102-M172 HydrophobicContact CE1-CG 4.31Å; F102-M172 HydrophobicContact CZ-CB 3.8Å; F133-M172 HydrophobicContact CD1-CB 4.37Å; F133-M172 HydrophobicContact CE1-CB 4.09Å; V156-M172 HydrophobicContact CB-CE 4.12Å; V156-M172 HydrophobicContact CG1-CE 3.33Å; V156-M172 HydrophobicContact CG1-CG 4.47Å; H168-M172 VanDerWaalsContact CD2-CG 3.42Å; H168-M172 WeakPolarHBondContact CD2-CG 3.48Å; H168-M172 PolarHBondContact CE1-SD 2.79Å; H168-M172 VanDerWaalsContact NE2-CG 3.27Å; H168-M172 WeakPolarHBondContact NE2-CG 3.22Å; H168-M172 PolarHBondContact NE2-SD 3.16Å; H168-M172 WeakPolarHBondContact O-CG 3.19Å; H168-M172 PolarHBondContact O-N 3.21Å; R169-M172 PolarHBondContact O-N 3.23Å; M172-H175 PolarHBondContact O-N 3.26Å; M172-F176 HydrophobicContact CE-CD2 4.14Å; M172-F176 HydrophobicContact CE-CE2 3.6Å; M172-F176 WeakPolarHBondContact O-CD2 3.29Å; M172-F176 PolarHBondContact O-N 2.98Å
173	I	98	Very high	92.4	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-62.9	-45	175.4	-64.7	160.7	0	0	0	109.5	F102 R169 E171 H175 F176 S177 C190 F251 V258 T262	F102-I173 HydrophobicContact CE2-CD1 3.95Å; F102-I173 HydrophobicContact CE2-CG1 3.82Å; F102-I173 HydrophobicContact CZ-CG1 4.06Å; R169-I173 HydrophobicContact CB-CD1 4.39Å; R169-I173 WeakPolarHBondContact O-CB 3.29Å; R169-I173 WeakPolarHBondContact O-CD1 3.29Å; R169-I173 WeakPolarHBondContact O-CG1 3.33Å; R169-I173 PolarHBondContact O-N 3.12Å; E171-I173 PolarHBondContact O-N 3.49Å; I173-H175 VanDerWaalsContact C-N 3.34Å; I173-H175 PolarHBondContact O-N 2.85Å; I173-F176 PolarHBondContact O-N 3.44Å; I173-S177 WeakPolarHBondContact O-CB 3.33Å; I173-S177 PolarHBondContact O-N 3.15Å; I173-S177 PolarHBondContact O-OG 3.11Å; I173-C190 HydrophobicContact CD1-CB 4.22Å; I173-F251 HydrophobicContact CD1-CZ 4.28Å; I173-V258 HydrophobicContact CG2-CG1 3.71Å; I173-T262 HydrophobicContact CB-CG2 3.95Å; I173-T262 HydrophobicContact CD1-CG2 4.43Å; I173-T262 HydrophobicContact CG2-CG2 3.72Å
174	S	97.6	Very high	93.2	Very high	13 Å²	13	50.9 Å²	50.9	9%	0.091	23%	0.227	C	C	.	.	H	α-helix	trans	-60.3	-43.4	178.2	76.6	0	0	0	0	112.3	M170 E171 S177 E178 Y259 T262	M170-S174 WeakPolarHBondContact O-CB 3.36Å; M170-S174 PolarHBondContact O-N 2.78Å; M170-S174 PolarHBondContact O-OG 3.49Å; E171-S174 PolarHBondContact O-N 2.85Å; E171-S174 PolarHBondContact O-OG 2.92Å; S174-S177 PolarHBondContact O-N 3.36Å; S174-E178 PolarHBondContact O-N 3.37Å; S174-Y259 WeakPolarHBondContact O-CD2 3.39Å; S174-T262 WeakPolarHBondContact CA-OG1 3.36Å; S174-T262 WeakPolarHBondContact CB-OG1 3.46Å; S174-T262 PolarHBondContact N-OG1 2.99Å
175	H	97.1	Very high	93.9	Very high	68 Å²	68	49.3 Å²	49.3	32%	0.315	22%	0.219	S	C	.	.	H	α-helix	trans	-63.4	-46.1	180	-176.9	77.3	0	0	0	112.5	E171 M172 I173 R179	E171-H175 WeakPolarHBondContact O-CB 3.45Å; E171-H175 PolarHBondContact O-N 2.8Å; M172-H175 PolarHBondContact O-N 3.26Å; I173-H175 VanDerWaalsContact C-N 3.34Å; I173-H175 PolarHBondContact O-N 2.85Å; H175-R179 VanDerWaalsContact CE1-CD 3.47Å; H175-R179 WeakPolarHBondContact CE1-CD 3.33Å; H175-R179 VanDerWaalsContact CE1-CZ 3.49Å; H175-R179 PolarHBondContact CE1-NE 2.81Å; H175-R179 PolarHBondContact CE1-NH1 2.87Å; H175-R179 VanDerWaalsContact NE2-CD 3.28Å; H175-R179 WeakPolarHBondContact NE2-CD 3.31Å; H175-R179 PolarHBondContact NE2-NH1 2.99Å; H175-R179 WeakPolarHBondContact O-CB 3.12Å; H175-R179 PolarHBondContact O-N 3.27Å
176	F	98	Very high	94.9	Very high	37 Å²	37	51.6 Å²	51.6	16%	0.162	23%	0.231	C	C	.	.	H	α-helix	trans	-77.1	-25.2	179.2	-82.9	-85.2	0	0	0	112.9	F133 L154 M172 I173 R179 R180 F181	F133-F176 AromaticContact CE1-CD2 3.51Å; F133-F176 HydrophobicContact CE1-CD2 3.51Å; F133-F176 AromaticContact CE1-CE2 3.8Å; F133-F176 HydrophobicContact CE1-CE2 3.8Å; F133-F176 HydrophobicContact CE1-CG 4.11Å; F133-F176 HydrophobicContact CZ-CB 4.29Å; F133-F176 HydrophobicContact CZ-CD2 4.06Å; F133-F176 HydrophobicContact CZ-CG 4.24Å; L154-F176 HydrophobicContact CB-CZ 4.23Å; L154-F176 HydrophobicContact CD1-CD1 3.78Å; L154-F176 HydrophobicContact CD1-CD2 4.45Å; L154-F176 HydrophobicContact CD1-CE1 3.85Å; L154-F176 HydrophobicContact CD1-CE2 4.48Å; L154-F176 HydrophobicContact CD1-CG 4.08Å; L154-F176 HydrophobicContact CD1-CZ 4.19Å; L154-F176 HydrophobicContact CD2-CD1 4.23Å; L154-F176 HydrophobicContact CD2-CE1 3.63Å; L154-F176 HydrophobicContact CD2-CZ 4.13Å; L154-F176 HydrophobicContact CG-CE1 4.21Å; L154-F176 HydrophobicContact CG-CZ 4.42Å; M172-F176 HydrophobicContact CE-CD2 4.14Å; M172-F176 HydrophobicContact CE-CE2 3.6Å; M172-F176 WeakPolarHBondContact O-CD2 3.29Å; M172-F176 PolarHBondContact O-N 2.98Å; I173-F176 PolarHBondContact O-N 3.44Å; F176-R179 PolarHBondContact O-N 2.84Å; F176-R180 HydrophobicContact CD1-CB 4.25Å; F176-R180 CarbonylContact O-C 3.58Å; F176-R180 WeakPolarHBondContact O-CA 3.36Å; F176-R180 WeakPolarHBondContact O-CB 3.29Å; F176-R180 PolarHBondContact O-N 2.78Å; F176-F181 VanDerWaalsContact C-CD2 3.48Å; F176-F181 HydrophobicContact CB-CD2 4.08Å; F176-F181 HydrophobicContact CB-CE1 4Å; F176-F181 HydrophobicContact CB-CE2 3.44Å; F176-F181 VanDerWaalsContact CB-CE2 3.44Å; F176-F181 HydrophobicContact CB-CZ 3.41Å; F176-F181 VanDerWaalsContact CB-CZ 3.41Å; F176-F181 HydrophobicContact CG-CZ 4.29Å; F176-F181 PolarHBondContact O-N 3.01Å
177	S	97.6	Very high	96	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	23%	0.23	C	C	.	.	I	π-helix	trans	-57.9	-50.8	170.7	-71.5	0	0	0	0	111.2	I173 S174 F181 L182	I173-S177 WeakPolarHBondContact O-CB 3.33Å; I173-S177 PolarHBondContact O-N 3.15Å; I173-S177 PolarHBondContact O-OG 3.11Å; S174-S177 PolarHBondContact O-N 3.36Å; S177-F181 VanDerWaalsContact CA-CD2 3.47Å; S177-F181 VanDerWaalsContact N-CD2 3.34Å; S177-F181 PolarHBondContact O-N 3.09Å; S177-L182 VanDerWaalsContact O-CG 3.28Å; S177-L182 WeakPolarHBondContact O-CG 3.42Å; S177-L182 PolarHBondContact O-N 2.82Å; S177-L182 VanDerWaalsContact O-N 3.14Å
178	E	94.8	Very high	96.7	Very high	105 Å²	105	51.1 Å²	51.1	49%	0.491	22%	0.224	S	C	.	.	I	π-helix	trans	-65.8	-43.9	179.5	-175.3	176.6	-123.1	0	0	112.6	S174 Y259	S174-E178 PolarHBondContact O-N 3.37Å; E178-Y259 HydrophobicContact CB-CD2 4.42Å; E178-Y259 HydrophobicContact CB-CE2 4.09Å
179	R	94.8	Very high	97.2	Very high	168 Å²	168	50.5 Å²	50.5	63%	0.634	22%	0.221	S	C	*	.	I	π-helix	trans	-83.7	-26.7	-172	-75.4	-178.5	153	-163.4	-11.4	114.7	H175 F176	H175-R179 VanDerWaalsContact CE1-CD 3.47Å; H175-R179 WeakPolarHBondContact CE1-CD 3.33Å; H175-R179 VanDerWaalsContact CE1-CZ 3.49Å; H175-R179 PolarHBondContact CE1-NE 2.81Å; H175-R179 PolarHBondContact CE1-NH1 2.87Å; H175-R179 VanDerWaalsContact NE2-CD 3.28Å; H175-R179 WeakPolarHBondContact NE2-CD 3.31Å; H175-R179 PolarHBondContact NE2-NH1 2.99Å; H175-R179 WeakPolarHBondContact O-CB 3.12Å; H175-R179 PolarHBondContact O-N 3.27Å; F176-R179 PolarHBondContact O-N 2.84Å
180	R	97.1	Very high	97.5	Very high	70 Å²	70	49.7 Å²	49.7	26%	0.264	22%	0.219	S	C	.	.	I	π-helix	trans	-136.8	-61.2	-165.9	-172.8	173.2	-173.8	140.5	15.2	112.6	V152 F176 L182 R183 E184	V152-R180 VanDerWaalsContact CG1-CZ 3.44Å; V152-R180 VanDerWaalsContact CG1-NH1 3.28Å; F176-R180 HydrophobicContact CD1-CB 4.25Å; F176-R180 CarbonylContact O-C 3.58Å; F176-R180 WeakPolarHBondContact O-CA 3.36Å; F176-R180 WeakPolarHBondContact O-CB 3.29Å; F176-R180 PolarHBondContact O-N 2.78Å; R180-L182 VanDerWaalsContact C-N 3.29Å; R180-L182 PolarHBondContact O-N 2.91Å; R180-R183 PolarHBondContact O-N 2.87Å; R180-E184 VanDerWaalsContact CG-CD 3.46Å; R180-E184 HydrophobicContact CG-CG 4.26Å; R180-E184 WeakPolarHBondContact CG-OE2 3.29Å; R180-E184 IonicContact CZ-OE1 2.95Å; R180-E184 VanDerWaalsContact CZ-OE1 3.3Å; R180-E184 IonicContact CZ-OE2 3.55Å; R180-E184 IonicContact NE-OE1 3.63Å; R180-E184 PolarHBondContact NE-OE1 2.93Å; R180-E184 IonicContact NE-OE2 3.56Å; R180-E184 PolarHBondContact NE-OE2 2.94Å; R180-E184 IonicContact NH2-OE1 3.2Å; R180-E184 PolarHBondContact NH2-OE1 2.88Å; R180-E184 IonicContact NH2-OE2 3.83Å; R180-E184 PolarHBondContact O-N 2.72Å
181	F	98.3	Very high	97.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	22%	0.218	C	C	.	.	I	π-helix	trans	-63.7	-34.2	-165	-50.4	-36.3	0	0	0	112.8	T100 Y131 F133 L154 F176 S177 R183 E184 V185 L188 V255	T100-F181 HydrophobicContact CG2-CE2 4.07Å; T100-F181 HydrophobicContact CG2-CZ 4.06Å; Y131-F181 HydrophobicContact CD1-CD1 4.27Å; Y131-F181 AromaticContact CD1-CE1 3.51Å; Y131-F181 HydrophobicContact CD1-CE1 3.51Å; Y131-F181 HydrophobicContact CD1-CZ 4.34Å; Y131-F181 HydrophobicContact CD2-CD1 4.09Å; Y131-F181 AromaticContact CD2-CE1 3.63Å; Y131-F181 HydrophobicContact CD2-CE1 3.63Å; Y131-F181 HydrophobicContact CD2-CZ 4.16Å; Y131-F181 AromaticContact CE1-CD1 3.86Å; Y131-F181 HydrophobicContact CE1-CD1 3.86Å; Y131-F181 AromaticContact CE1-CE1 3.55Å; Y131-F181 HydrophobicContact CE1-CE1 3.55Å; Y131-F181 AromaticContact CE2-CD1 3.67Å; Y131-F181 HydrophobicContact CE2-CD1 3.67Å; Y131-F181 AromaticContact CE2-CE1 3.68Å; Y131-F181 HydrophobicContact CE2-CE1 3.68Å; Y131-F181 HydrophobicContact CG-CD1 4.35Å; Y131-F181 AromaticContact CG-CE1 3.52Å; Y131-F181 HydrophobicContact CG-CE1 3.52Å; Y131-F181 HydrophobicContact CG-CZ 4.02Å; Y131-F181 AromaticContact CZ-CD1 3.52Å; Y131-F181 AromaticContact CZ-CE1 3.63Å; F133-F181 HydrophobicContact CE2-CZ 4.16Å; F133-F181 HydrophobicContact CZ-CE2 4.34Å; F133-F181 AromaticContact CZ-CZ 3.79Å; F133-F181 HydrophobicContact CZ-CZ 3.79Å; L154-F181 HydrophobicContact CD1-CE1 4.29Å; L154-F181 HydrophobicContact CD1-CZ 4.21Å; F176-F181 VanDerWaalsContact C-CD2 3.48Å; F176-F181 HydrophobicContact CB-CD2 4.08Å; F176-F181 HydrophobicContact CB-CE1 4Å; F176-F181 HydrophobicContact CB-CE2 3.44Å; F176-F181 VanDerWaalsContact CB-CE2 3.44Å; F176-F181 HydrophobicContact CB-CZ 3.41Å; F176-F181 VanDerWaalsContact CB-CZ 3.41Å; F176-F181 HydrophobicContact CG-CZ 4.29Å; F176-F181 PolarHBondContact O-N 3.01Å; S177-F181 VanDerWaalsContact CA-CD2 3.47Å; S177-F181 VanDerWaalsContact N-CD2 3.34Å; S177-F181 PolarHBondContact O-N 3.09Å; F181-R183 PolarHBondContact O-N 3.48Å; F181-E184 PolarHBondContact O-N 2.88Å; F181-V185 HydrophobicContact CB-CG2 4.08Å; F181-V185 PolarHBondContact O-N 2.55Å; F181-L188 HydrophobicContact CB-CD1 3.84Å; F181-L188 HydrophobicContact CB-CD2 4.21Å; F181-L188 HydrophobicContact CB-CG 4.35Å; F181-L188 HydrophobicContact CD1-CD2 4.47Å; F181-L188 HydrophobicContact CD2-CD1 3.44Å; F181-L188 VanDerWaalsContact CD2-CD1 3.44Å; F181-L188 HydrophobicContact CD2-CD2 3.86Å; F181-L188 HydrophobicContact CD2-CG 4.29Å; F181-L188 HydrophobicContact CE2-CD1 4.27Å; F181-L188 HydrophobicContact CE2-CD2 4.28Å; F181-L188 HydrophobicContact CG-CD1 3.95Å; F181-L188 HydrophobicContact CG-CD2 3.95Å; F181-L188 HydrophobicContact CG-CG 4.48Å; F181-V255 HydrophobicContact CB-CG1 3.83Å; F181-V255 HydrophobicContact CB-CG2 4.33Å
182	L	96.4	Very high	97.7	Very high	91 Å²	91	48.6 Å²	48.6	48%	0.476	21%	0.214	S	C	.	.	H	α-helix	trans	-57.2	-19.8	176.3	-79.5	171.1	0	0	0	113.8	S177 R180 V255	S177-L182 VanDerWaalsContact O-CG 3.28Å; S177-L182 WeakPolarHBondContact O-CG 3.42Å; S177-L182 PolarHBondContact O-N 2.82Å; S177-L182 VanDerWaalsContact O-N 3.14Å; R180-L182 VanDerWaalsContact C-N 3.29Å; R180-L182 PolarHBondContact O-N 2.91Å; L182-V255 HydrophobicContact CB-CG1 4.37Å; L182-V255 HydrophobicContact CD2-CB 3.96Å; L182-V255 HydrophobicContact CD2-CG1 3.64Å; L182-V255 HydrophobicContact CG-CG1 3.69Å
183	R	97.6	Very high	97.7	Very high	213 Å²	213	47.5 Å²	47.5	80%	0.804	21%	0.21	S	C	*	.	H	α-helix	trans	-105.6	-13	-178.1	-54.7	177.9	-172.3	-167.5	1	113	R180 F181	R180-R183 PolarHBondContact O-N 2.87Å; F181-R183 PolarHBondContact O-N 3.48Å
184	E	98.4	Very high	97.7	Very high	63 Å²	63	48.2 Å²	48.2	29%	0.294	21%	0.213	S	C	.	.	H	α-helix	trans	-113.9	-31.8	-170.1	-69.9	-173.1	168.8	0	0	113.1	I129 Y131 R180 F181	I129-E184 HydrophobicContact CD1-CB 4.01Å; Y131-E184 WeakPolarHBondContact CE1-OE2 3.35Å; Y131-E184 VanDerWaalsContact CZ-OE2 3.28Å; Y131-E184 VanDerWaalsContact OH-CB 3.29Å; Y131-E184 WeakPolarHBondContact OH-CB 3.28Å; Y131-E184 PolarHBondContact OH-OE2 3.39Å; R180-E184 VanDerWaalsContact CG-CD 3.46Å; R180-E184 HydrophobicContact CG-CG 4.26Å; R180-E184 WeakPolarHBondContact CG-OE2 3.29Å; R180-E184 IonicContact CZ-OE1 2.95Å; R180-E184 VanDerWaalsContact CZ-OE1 3.3Å; R180-E184 IonicContact CZ-OE2 3.55Å; R180-E184 IonicContact NE-OE1 3.63Å; R180-E184 PolarHBondContact NE-OE1 2.93Å; R180-E184 IonicContact NE-OE2 3.56Å; R180-E184 PolarHBondContact NE-OE2 2.94Å; R180-E184 IonicContact NH2-OE1 3.2Å; R180-E184 PolarHBondContact NH2-OE1 2.88Å; R180-E184 IonicContact NH2-OE2 3.83Å; R180-E184 PolarHBondContact O-N 2.72Å; F181-E184 PolarHBondContact O-N 2.88Å
185	V	98.8	Very high	97.7	Very high	10 Å²	10	48 Å²	48	6%	0.061	21%	0.211	C	C	.	.			trans	-138.6	154.2	-173.8	-56.7	0	0	0	0	112.1	T96 I129 Y131 F181 Y187 L188 V255	T96-V185 HydrophobicContact CG2-CB 4.5Å; T96-V185 HydrophobicContact CG2-CG1 3.96Å; I129-V185 HydrophobicContact CB-CG1 4.17Å; I129-V185 HydrophobicContact CD1-CG1 3.67Å; I129-V185 HydrophobicContact CG1-CG1 4.07Å; Y131-V185 HydrophobicContact CE2-CG1 4.12Å; F181-V185 HydrophobicContact CB-CG2 4.08Å; F181-V185 PolarHBondContact O-N 2.55Å; V185-Y187 WeakPolarHBondContact CG2-O 3.45Å; V185-L188 HydrophobicContact CG2-CD2 3.96Å; V185-L188 HydrophobicContact CG2-CG 4.07Å; V185-V255 HydrophobicContact CG2-CG2 3.65Å; V185-V255 VanDerWaalsContact O-CG2 3.23Å; V185-V255 WeakPolarHBondContact O-CG2 3.49Å
186	D	98.7	Very high	97.8	Very high	78 Å²	78	48.2 Å²	48.2	42%	0.417	21%	0.211	S	C	.	.	S	Bend	trans	-85.9	-37.5	176.1	-57.5	-68.9	0	0	0	111.4	T95 T96 V255	T95-D186 WeakPolarHBondContact CA-OD2 3.23Å; T95-D186 HydrophobicContact CG2-CB 4.09Å; T96-D186 PolarHBondContact N-OD2 3.02Å; T96-D186 PolarHBondContact O-N 3.24Å; D186-V255 PolarHBondContact O-N 2.59Å
187	Y	98.9	Very high	97.8	Very high	39 Å²	39	46.5 Å²	46.5	15%	0.153	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	148.5	-178.7	-62	-91.3	0	0	0	111	F90 T95 T96 G98 V185 L206 S207 G253	F90-Y187 HydrophobicContact CE1-CE2 4.01Å; T95-Y187 HydrophobicContact CG2-CD2 3.58Å; T95-Y187 HydrophobicContact CG2-CE2 3.73Å; T96-Y187 PolarHBondContact O-N 3.08Å; G98-Y187 PolarHBondContact N-O 2.92Å; V185-Y187 WeakPolarHBondContact CG2-O 3.45Å; Y187-L206 HydrophobicContact CD1-CB 4.31Å; Y187-L206 HydrophobicContact CD1-CD2 4.32Å; Y187-L206 HydrophobicContact CD2-CD1 4.11Å; Y187-L206 HydrophobicContact CD2-CD2 4.43Å; Y187-L206 HydrophobicContact CE1-CB 4.37Å; Y187-L206 HydrophobicContact CE2-CD1 4.49Å; Y187-L206 HydrophobicContact CG-CB 4.45Å; Y187-L206 HydrophobicContact CG-CD1 4.43Å; Y187-L206 HydrophobicContact CG-CD2 3.94Å; Y187-L206 HydrophobicContact CG-CG 4.5Å; Y187-S207 WeakPolarHBondContact CD1-O 3.43Å; Y187-S207 VanDerWaalsContact CE1-O 3.29Å; Y187-S207 WeakPolarHBondContact CE1-O 3.47Å; Y187-G253 CarbonylContact C-O 3.6Å; Y187-G253 VanDerWaalsContact CA-O 3.23Å; Y187-G253 WeakPolarHBondContact CA-O 3.43Å; Y187-G253 WeakPolarHBondContact CB-O 3.45Å
188	L	98.8	Very high	97.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	137.2	168.9	-76.2	164.5	0	0	0	110.4	G98 T100 Y131 F181 V185 G252 G253 V255 V258	G98-L188 CarbonylContact O-C 3.24Å; G98-L188 WeakPolarHBondContact O-CA 3.49Å; T100-L188 HydrophobicContact CG2-CD2 3.88Å; Y131-L188 HydrophobicContact CD2-CD2 4.44Å; Y131-L188 HydrophobicContact CE2-CD2 4.34Å; F181-L188 HydrophobicContact CB-CD1 3.84Å; F181-L188 HydrophobicContact CB-CD2 4.21Å; F181-L188 HydrophobicContact CB-CG 4.35Å; F181-L188 HydrophobicContact CD1-CD2 4.47Å; F181-L188 HydrophobicContact CD2-CD1 3.44Å; F181-L188 VanDerWaalsContact CD2-CD1 3.44Å; F181-L188 HydrophobicContact CD2-CD2 3.86Å; F181-L188 HydrophobicContact CD2-CG 4.29Å; F181-L188 HydrophobicContact CE2-CD1 4.27Å; F181-L188 HydrophobicContact CE2-CD2 4.28Å; F181-L188 HydrophobicContact CG-CD1 3.95Å; F181-L188 HydrophobicContact CG-CD2 3.95Å; F181-L188 HydrophobicContact CG-CG 4.48Å; V185-L188 HydrophobicContact CG2-CD2 3.96Å; V185-L188 HydrophobicContact CG2-CG 4.07Å; L188-G252 CarbonylContact O-C 3.58Å; L188-G252 WeakPolarHBondContact O-CA 3.34Å; L188-G253 PolarHBondContact N-O 2.95Å; L188-G253 PolarHBondContact O-N 2.84Å; L188-V255 HydrophobicContact CD1-CB 4.31Å; L188-V255 HydrophobicContact CD1-CG1 3.95Å; L188-V255 HydrophobicContact CD1-CG2 4.13Å; L188-V255 HydrophobicContact CG-CG2 4.11Å; L188-V258 HydrophobicContact CB-CB 4.36Å; L188-V258 HydrophobicContact CB-CG1 4.24Å; L188-V258 HydrophobicContact CB-CG2 4.1Å; L188-V258 HydrophobicContact CD1-CB 4.29Å; L188-V258 HydrophobicContact CD1-CG1 4.03Å
189	V	98.9	Very high	98.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	125.9	166	180	0	0	0	0	107	I97 G98 L99 T100 F122 I205 F210 F250	I97-V189 HydrophobicContact CG2-CG2 4.03Å; G98-V189 PolarHBondContact O-N 3.03Å; L99-V189 CarbonylContact C-O 3.5Å; L99-V189 WeakPolarHBondContact CA-O 3.45Å; L99-V189 HydrophobicContact CD1-CB 3.87Å; L99-V189 HydrophobicContact CD1-CG1 3.72Å; T100-V189 PolarHBondContact N-O 3.22Å; F122-V189 HydrophobicContact CE2-CB 4.35Å; F122-V189 HydrophobicContact CE2-CG1 4.22Å; F122-V189 HydrophobicContact CE2-CG2 4.18Å; F122-V189 HydrophobicContact CZ-CB 4.09Å; F122-V189 HydrophobicContact CZ-CG1 4.42Å; F122-V189 HydrophobicContact CZ-CG2 3.93Å; V189-I205 HydrophobicContact CG2-CD1 4Å; V189-F210 HydrophobicContact CG1-CZ 4.3Å; V189-F210 HydrophobicContact CG2-CE1 4.41Å; V189-F210 HydrophobicContact CG2-CZ 4.16Å; V189-F250 HydrophobicContact CG1-CD2 4.28Å; V189-F250 HydrophobicContact CG1-CE1 4.47Å; V189-F250 HydrophobicContact CG1-CE2 3.46Å; V189-F250 VanDerWaalsContact CG1-CE2 3.46Å; V189-F250 HydrophobicContact CG1-CZ 3.57Å
190	C	98.8	Very high	98.3	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.014	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	119.8	-179.4	-59.9	0	0	0	0	109.2	T100 I173 F250 F251	T100-C190 WeakPolarHBondContact OG1-CA 3.46Å; T100-C190 PolarHBondContact OG1-SG 3.35Å; I173-C190 HydrophobicContact CD1-CB 4.22Å; C190-F250 WeakPolarHBondContact O-CA 3.37Å; C190-F251 HydrophobicContact CB-CD1 4.15Å; C190-F251 HydrophobicContact CB-CD2 4.05Å; C190-F251 HydrophobicContact CB-CE1 3.74Å; C190-F251 HydrophobicContact CB-CE2 3.63Å; C190-F251 HydrophobicContact CB-CG 4.29Å; C190-F251 HydrophobicContact CB-CZ 3.47Å; C190-F251 VanDerWaalsContact CB-CZ 3.47Å; C190-F251 PolarHBondContact N-O 3.14Å; C190-F251 PolarHBondContact O-N 3.13Å; C190-F251 VanDerWaalsContact O-N 3.14Å
191	A	98.5	Very high	98.4	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.008	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	147.7	-165.7	0	0	0	0	0	112.5	L99 T100 F114 A249 F250 Y322	L99-A191 HydrophobicContact CD1-CB 3.79Å; T100-A191 PolarHBondContact O-N 2.81Å; F114-A191 HydrophobicContact CE2-CB 4.3Å; F114-A191 HydrophobicContact CZ-CB 4.22Å; A191-A249 WeakPolarHBondContact CA-O 3.32Å; A191-F250 HydrophobicContact CB-CD2 3.73Å; A191-F250 HydrophobicContact CB-CE2 3.82Å; A191-Y322 WeakPolarHBondContact CB-OH 3.17Å
192	D	98.1	Very high	98.4	Very high	35 Å²	35	37 Å²	37	19%	0.187	18%	0.176	C	C	.	.			trans	-75.8	143.9	174.4	-85.3	2.7	0	0	0	112.7	F114 R169 M195 A249 Y322	F114-D192 WeakPolarHBondContact CE2-O 3.36Å; R169-D192 IonicContact CZ-OD1 3.48Å; R169-D192 IonicContact NH1-OD1 2.71Å; R169-D192 PolarHBondContact NH1-OD1 2.97Å; R169-D192 IonicContact NH2-OD1 3.63Å; R169-D192 PolarHBondContact NH2-OD1 2.82Å; D192-M195 HydrophobicContact CB-CG 3.97Å; D192-A249 HydrophobicContact CB-CB 3.97Å; D192-A249 PolarHBondContact N-O 2.98Å; D192-A249 WeakPolarHBondContact OD2-CA 3.29Å; D192-A249 WeakPolarHBondContact OD2-CB 3.17Å; D192-Y322 PolarHBondContact N-OH 3.37Å; D192-Y322 PolarHBondContact O-OH 2.84Å
193	A	97.1	Very high	98.5	Very high	3 Å²	3	32.6 Å²	32.6	3%	0.025	15%	0.153	C	C	.	.	S	Bend	trans	-76.6	-30.5	-175.3	0	0	0	0	0	113.2	V101 F102 F110 M195	V101-A193 HydrophobicContact CG2-CB 3.53Å; F102-A193 VanDerWaalsContact O-CB 3.31Å; F102-A193 WeakPolarHBondContact O-CB 3.42Å; F110-A193 HydrophobicContact CB-CB 4.48Å; F110-A193 WeakPolarHBondContact CB-O 3.3Å; A193-M195 PolarHBondContact O-N 2.8Å
194	D	97.3	Very high	98.6	Very high	16 Å²	16	22.5 Å²	22.5	9%	0.086	12%	0.115	C	C	.	.	S	Bend	trans	-79.8	38.2	-174.9	55.5	-51.1	0	0	0	113.4	Y107 F110 V325 K327	Y107-D194 HydrophobicContact CD1-CB 4.42Å; Y107-D194 HydrophobicContact CE1-CB 4.21Å; F110-D194 HydrophobicContact CD1-CB 4.33Å; F110-D194 HydrophobicContact CD2-CB 3.84Å; F110-D194 HydrophobicContact CE1-CB 4.25Å; F110-D194 HydrophobicContact CE2-CB 3.74Å; F110-D194 HydrophobicContact CG-CB 4.14Å; F110-D194 HydrophobicContact CZ-CB 3.97Å; D194-V325 PolarHBondContact O-N 2.94Å; D194-K327 HydrophobicContact CB-CD 3.93Å; D194-K327 WeakPolarHBondContact OD2-CE 3.26Å; D194-K327 IonicContact OD2-NZ 2.66Å; D194-K327 PolarHBondContact OD2-NZ 2.85Å
195	M	98.5	Very high	98.6	Very high	8 Å²	8	19.5 Å²	19.5	4%	0.039	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	160.1	-173.1	-56.8	-68.4	-65.2	0	0	109.4	D192 A193 L305 Y322 V323 A324	D192-M195 HydrophobicContact CB-CG 3.97Å; A193-M195 PolarHBondContact O-N 2.8Å; M195-L305 HydrophobicContact CE-CD1 3.5Å; M195-L305 VanDerWaalsContact CE-CD1 3.5Å; M195-L305 HydrophobicContact SD-CD1 4.41Å; M195-Y322 HydrophobicContact CB-CD1 4.46Å; M195-Y322 HydrophobicContact CB-CD2 4Å; M195-Y322 HydrophobicContact CB-CE1 3.82Å; M195-Y322 HydrophobicContact CB-CE2 3.25Å; M195-Y322 VanDerWaalsContact CB-OH 3.28Å; M195-Y322 WeakPolarHBondContact CB-OH 3.2Å; M195-Y322 HydrophobicContact CE-CD1 3.65Å; M195-Y322 HydrophobicContact CE-CE1 3.69Å; M195-Y322 HydrophobicContact CE-CG 4.19Å; M195-Y322 HydrophobicContact CG-CE1 3.73Å; M195-Y322 HydrophobicContact CG-CE2 4.1Å; M195-Y322 VanDerWaalsContact CG-CZ 3.47Å; M195-Y322 WeakPolarHBondContact CG-OH 3.46Å; M195-V323 CarbonylContact C-O 3.59Å; M195-V323 WeakPolarHBondContact CA-O 3.43Å; M195-V323 VanDerWaalsContact CE-C 3.41Å; M195-A324 HydrophobicContact CE-CB 4.43Å; M195-A324 WeakPolarHBondContact SD-CA 3.49Å; M195-A324 HydrophobicContact SD-CB 3.92Å
196	K	98.6	Very high	98.6	Very high	74 Å²	74	19.1 Å²	19.1	32%	0.322	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	148.7	170.4	66.5	174	-176.2	174.4	0	110.5	L113 T117 S198 Y322 V323 V325	L113-K196 HydrophobicContact CD2-CB 4.14Å; L113-K196 HydrophobicContact CD2-CD 4.34Å; L113-K196 HydrophobicContact CG-CB 4.04Å; T117-K196 HydrophobicContact CG2-CB 4.31Å; K196-S198 WeakPolarHBondContact CE-OG 3.29Å; K196-Y322 CarbonylContact O-C 3.58Å; K196-Y322 WeakPolarHBondContact O-CA 3.46Å; K196-V323 PolarHBondContact N-O 2.78Å; K196-V323 PolarHBondContact O-N 3.43Å; K196-V325 HydrophobicContact CB-CG2 4.2Å; K196-V325 HydrophobicContact CG-CG2 4.35Å
197	F	98.9	Very high	98.6	Very high	1 Å²	1	16 Å²	16	0%	0.004	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	139.6	166.6	-59.4	-93.8	0	0	0	108.8	L99 F114 T117 A118 H121 F122 V201 R321 Y322	L99-F197 HydrophobicContact CD2-CE2 4.42Å; L99-F197 HydrophobicContact CD2-CZ 4.19Å; F114-F197 HydrophobicContact CD2-CE2 4.15Å; F114-F197 HydrophobicContact CE1-CE2 4.4Å; F114-F197 AromaticContact CE2-CE2 3.74Å; F114-F197 HydrophobicContact CE2-CE2 3.74Å; F114-F197 HydrophobicContact CE2-CZ 4.25Å; F114-F197 AromaticContact CZ-CE2 3.88Å; F114-F197 HydrophobicContact CZ-CE2 3.88Å; F114-F197 HydrophobicContact CZ-CZ 4.29Å; T117-F197 VanDerWaalsContact CB-O 3.24Å; T117-F197 WeakPolarHBondContact CB-O 3.23Å; T117-F197 PolarHBondContact OG1-N 2.89Å; A118-F197 HydrophobicContact CB-CD2 3.69Å; A118-F197 HydrophobicContact CB-CE2 3.66Å; H121-F197 HydrophobicContact CB-CB 3.77Å; F122-F197 HydrophobicContact CB-CD1 4.37Å; F122-F197 HydrophobicContact CB-CE1 4.22Å; F122-F197 HydrophobicContact CB-CZ 4.41Å; F122-F197 AromaticContact CD2-CE1 3.88Å; F122-F197 HydrophobicContact CD2-CE1 3.88Å; F122-F197 HydrophobicContact CD2-CZ 4.18Å; F122-F197 HydrophobicContact CG-CE1 4.38Å; F122-F197 HydrophobicContact CG-CZ 4.45Å; F197-V201 HydrophobicContact CD1-CB 4.23Å; F197-V201 HydrophobicContact CD1-CG2 3.88Å; F197-V201 HydrophobicContact CE1-CB 4.35Å; F197-V201 HydrophobicContact CE1-CG1 4.47Å; F197-V201 HydrophobicContact CE1-CG2 4.24Å; F197-R321 CarbonylContact C-O 3.47Å; F197-R321 VanDerWaalsContact CA-O 3.32Å; F197-R321 WeakPolarHBondContact CA-O 3.35Å; F197-Y322 AromaticContact CD1-CD2 3.71Å; F197-Y322 HydrophobicContact CD1-CD2 3.71Å; F197-Y322 HydrophobicContact CD1-CE2 4.41Å; F197-Y322 HydrophobicContact CD1-CG 4.43Å; F197-Y322 HydrophobicContact CD2-CD2 4.12Å; F197-Y322 HydrophobicContact CD2-CE2 4.21Å; F197-Y322 AromaticContact CE1-CD2 3.62Å; F197-Y322 HydrophobicContact CE1-CD2 3.62Å; F197-Y322 HydrophobicContact CE1-CE2 4.01Å; F197-Y322 HydrophobicContact CE1-CG 4.29Å; F197-Y322 HydrophobicContact CE2-CD2 4.03Å; F197-Y322 AromaticContact CE2-CE2 3.77Å; F197-Y322 HydrophobicContact CE2-CE2 3.77Å; F197-Y322 AromaticContact CG-CD2 3.96Å; F197-Y322 HydrophobicContact CG-CD2 3.96Å; F197-Y322 AromaticContact CZ-CD2 3.79Å; F197-Y322 HydrophobicContact CZ-CD2 3.79Å; F197-Y322 AromaticContact CZ-CE2 3.67Å; F197-Y322 HydrophobicContact CZ-CE2 3.67Å
198	S	98.6	Very high	98.5	Very high	46 Å²	46	17.9 Å²	17.9	32%	0.322	10%	0.098	S	C	.	.			trans	-135.2	-9.4	-176.2	-65.2	0	0	0	0	113.4	K196 L320 R321	K196-S198 WeakPolarHBondContact CE-OG 3.29Å; S198-L320 WeakPolarHBondContact CB-O 3.26Å; S198-R321 PolarHBondContact N-O 2.74Å
199	D	98.9	Very high	98.3	Very high	45 Å²	45	18.1 Å²	18.1	24%	0.241	10%	0.099	C	C	.	.	S	Bend	trans	-156.4	173.3	171.2	-156.8	-36.2	0	0	0	107.9	H121 V201 K319 R321	H121-D199 WeakPolarHBondContact CB-O 3.49Å; D199-V201 PolarHBondContact O-N 3.27Å; D199-K319 VanDerWaalsContact CG-NZ 3.31Å; D199-K319 IonicContact OD1-NZ 2.68Å; D199-K319 PolarHBondContact OD1-NZ 3.22Å; D199-K319 WeakPolarHBondContact OD2-CD 3.45Å; D199-K319 WeakPolarHBondContact OD2-CE 3.47Å; D199-K319 WeakPolarHBondContact OD2-CG 3.49Å; D199-K319 IonicContact OD2-NZ 3.99Å; D199-K319 PolarHBondContact OD2-NZ 3.48Å; D199-K319 VanDerWaalsContact OD2-NZ 3.08Å; D199-R321 HydrophobicContact CB-CB 4.4Å; D199-R321 HydrophobicContact CB-CG 4.19Å; D199-R321 PolarHBondContact N-O 3.13Å
200	H	98.8	Very high	98.3	Very high	50 Å²	50	18.1 Å²	18.1	23%	0.231	10%	0.099	C	C	.	.			trans	-47.5	125.1	-178.2	175.7	84.4	0	0	0	113.4	I83 G202 E204 R321	I83-H200 WeakPolarHBondContact CD1-NE2 3.2Å; H200-G202 WeakPolarHBondContact NE2-CA 3.49Å; H200-G202 PolarHBondContact NE2-N 3.35Å; H200-E204 IonicContact CD2-OE1 2.84Å; H200-E204 PolarHBondContact CD2-OE1 2.97Å; H200-E204 IonicContact CD2-OE2 3.48Å; H200-E204 IonicContact CE1-OE2 3.89Å; H200-E204 IonicContact NE2-OE1 2.7Å; H200-E204 IonicContact NE2-OE2 3.53Å; H200-E204 PolarHBondContact NE2-OE2 3.14Å; H200-R321 WeakPolarHBondContact O-CD 3.45Å; H200-R321 PolarHBondContact O-NH1 3.46Å
201	V	98.9	Very high	98.3	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-128.4	102.6	165.6	178.3	0	0	0	0	107.3	H121 F122 M123 F197 D199 I205 F250 Y304 R321	H121-V201 PolarHBondContact O-N 2.6Å; F122-V201 CarbonylContact C-O 3.57Å; F122-V201 WeakPolarHBondContact CA-O 3.43Å; F122-V201 HydrophobicContact CD2-CB 4.31Å; F122-V201 HydrophobicContact CD2-CG1 3.93Å; F122-V201 HydrophobicContact CE2-CG1 4.28Å; M123-V201 PolarHBondContact N-O 3.02Å; F197-V201 HydrophobicContact CD1-CB 4.23Å; F197-V201 HydrophobicContact CD1-CG2 3.88Å; F197-V201 HydrophobicContact CE1-CB 4.35Å; F197-V201 HydrophobicContact CE1-CG1 4.47Å; F197-V201 HydrophobicContact CE1-CG2 4.24Å; D199-V201 PolarHBondContact O-N 3.27Å; V201-I205 HydrophobicContact CG1-CD1 3.86Å; V201-I205 HydrophobicContact CG1-CG2 4.36Å; V201-F250 HydrophobicContact CG1-CZ 4.19Å; V201-Y304 HydrophobicContact CG1-CD1 4.16Å; V201-Y304 HydrophobicContact CG1-CE1 4.22Å; V201-Y304 HydrophobicContact CG2-CD1 4.12Å; V201-Y304 HydrophobicContact CG2-CE1 4.29Å; V201-R321 HydrophobicContact CG2-CB 3.65Å
202	G	98.8	Very high	98.4	Very high	1 Å²	1	18 Å²	18	1%	0.01	10%	0.098	C	C	.	.			trans	-127.7	-158.2	-171.1	0	0	0	0	0	113.9	M123 H200 E204 I205	M123-G202 WeakPolarHBondContact CE-O 3.42Å; H200-G202 WeakPolarHBondContact NE2-CA 3.49Å; H200-G202 PolarHBondContact NE2-N 3.35Å; G202-E204 WeakPolarHBondContact CA-OE2 3.34Å; G202-E204 PolarHBondContact N-OE1 2.67Å; G202-E204 PolarHBondContact N-OE2 3.05Å; G202-E204 VanDerWaalsContact N-OE2 3.14Å; G202-E204 PolarHBondContact O-N 2.93Å; G202-I205 WeakPolarHBondContact O-CG1 3.44Å; G202-I205 PolarHBondContact O-N 3.22Å; G202-I205 VanDerWaalsContact O-N 3.17Å
203	V	98.8	Very high	98.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-64.2	-10.4	-174.6	-63.9	0	0	0	0	113.8	I83 L86 N87 F90 M123 H126 I205 L206	I83-V203 HydrophobicContact CD1-CG2 4.18Å; L86-V203 HydrophobicContact CB-CG2 3.78Å; N87-V203 WeakPolarHBondContact OD1-CG2 3.41Å; F90-V203 HydrophobicContact CB-CB 4.16Å; F90-V203 HydrophobicContact CB-CG1 3.86Å; F90-V203 HydrophobicContact CB-CG2 4.44Å; F90-V203 HydrophobicContact CD2-CB 3.66Å; F90-V203 HydrophobicContact CD2-CG1 4.3Å; F90-V203 HydrophobicContact CD2-CG2 3.91Å; F90-V203 HydrophobicContact CE2-CB 4.15Å; F90-V203 HydrophobicContact CG-CB 3.88Å; F90-V203 HydrophobicContact CG-CG1 4.01Å; F90-V203 HydrophobicContact CG-CG2 4.39Å; M123-V203 HydrophobicContact SD-CG1 4.02Å; H126-V203 VanDerWaalsContact CE1-CG1 3.5Å; H126-V203 WeakPolarHBondContact CE1-CG1 3.22Å; H126-V203 WeakPolarHBondContact NE2-CG1 3.3Å; V203-I205 PolarHBondContact O-N 3.34Å; V203-L206 HydrophobicContact CB-CD1 4.06Å; V203-L206 HydrophobicContact CB-CG 4.49Å; V203-L206 HydrophobicContact CG1-CD1 3.84Å; V203-L206 PolarHBondContact O-N 3.39Å; V203-L206 VanDerWaalsContact O-N 3.12Å
204	E	98.9	Very high	98.5	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-60.7	-25	172.5	75.8	-76.5	175.6	0	0	113.5	I76 F81 I83 L86 H200 G202 K298 Y304	I76-E204 HydrophobicContact CG2-CB 4.39Å; I76-E204 HydrophobicContact CG2-CG 3.81Å; F81-E204 HydrophobicContact CB-CB 4.49Å; F81-E204 HydrophobicContact CD1-CB 4.15Å; F81-E204 HydrophobicContact CD1-CG 4.18Å; F81-E204 HydrophobicContact CD2-CB 3.78Å; F81-E204 HydrophobicContact CD2-CG 4.17Å; F81-E204 HydrophobicContact CE1-CB 4.32Å; F81-E204 HydrophobicContact CE1-CG 3.87Å; F81-E204 HydrophobicContact CE2-CB 3.95Å; F81-E204 HydrophobicContact CE2-CG 3.84Å; F81-E204 HydrophobicContact CG-CB 3.88Å; F81-E204 HydrophobicContact CG-CG 4.34Å; F81-E204 HydrophobicContact CZ-CB 4.23Å; F81-E204 HydrophobicContact CZ-CG 3.69Å; I83-E204 WeakPolarHBondContact CD1-OE2 3.46Å; L86-E204 HydrophobicContact CD1-CB 3.67Å; H200-E204 IonicContact CD2-OE1 2.84Å; H200-E204 PolarHBondContact CD2-OE1 2.97Å; H200-E204 IonicContact CD2-OE2 3.48Å; H200-E204 IonicContact CE1-OE2 3.89Å; H200-E204 IonicContact NE2-OE1 2.7Å; H200-E204 IonicContact NE2-OE2 3.53Å; H200-E204 PolarHBondContact NE2-OE2 3.14Å; G202-E204 WeakPolarHBondContact CA-OE2 3.34Å; G202-E204 PolarHBondContact N-OE1 2.67Å; G202-E204 PolarHBondContact N-OE2 3.05Å; G202-E204 VanDerWaalsContact N-OE2 3.14Å; G202-E204 PolarHBondContact O-N 2.93Å; E204-K298 PolarHBondContact O-NZ 2.98Å; E204-Y304 WeakPolarHBondContact CG-OH 3.09Å; E204-Y304 WeakPolarHBondContact OE1-CE1 3.43Å; E204-Y304 PolarHBondContact OE1-OH 3.16Å
205	I	98.9	Very high	98.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-80.8	-24.2	177	80.1	-179.4	0	0	0	112.4	M123 V189 V201 G202 V203 S207 F210 F250 L300 Y304	M123-I205 HydrophobicContact CE-CD1 3.61Å; M123-I205 HydrophobicContact CE-CG1 3.66Å; V189-I205 HydrophobicContact CG2-CD1 4Å; V201-I205 HydrophobicContact CG1-CD1 3.86Å; V201-I205 HydrophobicContact CG1-CG2 4.36Å; G202-I205 WeakPolarHBondContact O-CG1 3.44Å; G202-I205 PolarHBondContact O-N 3.22Å; G202-I205 VanDerWaalsContact O-N 3.17Å; V203-I205 PolarHBondContact O-N 3.34Å; I205-S207 PolarHBondContact O-N 3.12Å; I205-F210 HydrophobicContact CD1-CE1 4.45Å; I205-F210 HydrophobicContact CD1-CZ 4.06Å; I205-F210 HydrophobicContact CG1-CE1 4.29Å; I205-F210 HydrophobicContact CG1-CZ 4.33Å; I205-F210 WeakPolarHBondContact O-CD1 3.45Å; I205-F250 HydrophobicContact CD1-CE1 4.23Å; I205-F250 HydrophobicContact CD1-CZ 4.22Å; I205-L300 HydrophobicContact CB-CD1 3.91Å; I205-L300 HydrophobicContact CB-CD2 3.78Å; I205-L300 HydrophobicContact CG2-CD1 3.86Å; I205-L300 HydrophobicContact CG2-CD2 3.83Å; I205-Y304 HydrophobicContact CG2-CD1 3.79Å; I205-Y304 HydrophobicContact CG2-CE1 3.34Å
206	L	98.8	Very high	98.5	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.01	12%	0.116	C	C	.	.			trans	-67.8	129.7	-172	-60.1	-178.7	0	0	0	111.2	F90 T95 I97 M123 Y187 V203 K298	F90-L206 HydrophobicContact CD1-CD1 3.85Å; F90-L206 HydrophobicContact CE1-CB 3.78Å; F90-L206 HydrophobicContact CE1-CD1 3.76Å; F90-L206 HydrophobicContact CE1-CG 4.44Å; F90-L206 HydrophobicContact CZ-CB 3.77Å; F90-L206 HydrophobicContact CZ-CD1 4.38Å; T95-L206 HydrophobicContact CG2-CD1 4.25Å; I97-L206 HydrophobicContact CD1-CD1 4.25Å; I97-L206 HydrophobicContact CG1-CD1 3.81Å; I97-L206 HydrophobicContact CG1-CD2 4.2Å; I97-L206 HydrophobicContact CG2-CD2 4.36Å; M123-L206 HydrophobicContact CE-CD1 4.45Å; M123-L206 HydrophobicContact CE-CD2 3.71Å; M123-L206 HydrophobicContact CE-CG 3.97Å; M123-L206 HydrophobicContact SD-CD1 4.43Å; Y187-L206 HydrophobicContact CD1-CB 4.31Å; Y187-L206 HydrophobicContact CD1-CD2 4.32Å; Y187-L206 HydrophobicContact CD2-CD1 4.11Å; Y187-L206 HydrophobicContact CD2-CD2 4.43Å; Y187-L206 HydrophobicContact CE1-CB 4.37Å; Y187-L206 HydrophobicContact CE2-CD1 4.49Å; Y187-L206 HydrophobicContact CG-CB 4.45Å; Y187-L206 HydrophobicContact CG-CD1 4.43Å; Y187-L206 HydrophobicContact CG-CD2 3.94Å; Y187-L206 HydrophobicContact CG-CG 4.5Å; V203-L206 HydrophobicContact CB-CD1 4.06Å; V203-L206 HydrophobicContact CB-CG 4.49Å; V203-L206 HydrophobicContact CG1-CD1 3.84Å; V203-L206 PolarHBondContact O-N 3.39Å; V203-L206 VanDerWaalsContact O-N 3.12Å; L206-K298 WeakPolarHBondContact O-CE 3.34Å; L206-K298 PolarHBondContact O-NZ 2.75Å
207	S	98.1	Very high	98.5	Very high	13 Å²	13	18.2 Å²	18.2	9%	0.091	11%	0.109	C	C	.	.	S	Bend	trans	-161.2	174.2	175.8	58.7	0	0	0	0	109.1	Y187 I205 F209 G253 S254 T297	Y187-S207 WeakPolarHBondContact CD1-O 3.43Å; Y187-S207 VanDerWaalsContact CE1-O 3.29Å; Y187-S207 WeakPolarHBondContact CE1-O 3.47Å; I205-S207 PolarHBondContact O-N 3.12Å; S207-F209 PolarHBondContact O-N 3.1Å; S207-F209 VanDerWaalsContact O-N 3.15Å; S207-F209 PolarHBondContact OG-O 3.34Å; S207-F209 VanDerWaalsContact OG-O 3.12Å; S207-G253 CarbonylContact O-C 3.5Å; S207-G253 WeakPolarHBondContact O-CA 3.21Å; S207-S254 PolarHBondContact O-N 3.06Å; S207-T297 VanDerWaalsContact CB-OG1 3.29Å; S207-T297 WeakPolarHBondContact CB-OG1 3.47Å; S207-T297 PolarHBondContact OG-OG1 3.08Å
208	T	97.6	Very high	98.5	Very high	77 Å²	77	21.5 Å²	21.5	47%	0.472	12%	0.122	S	C	.	.	S	Bend	trans	-48.8	-41.7	173.3	-59.4	0	0	0	0	110.7	G253 S254 E257 T297	T208-G253 CarbonylContact O-C 3.57Å; T208-G253 WeakPolarHBondContact O-CA 3.39Å; T208-S254 PolarHBondContact O-N 3.1Å; T208-S254 PolarHBondContact O-OG 3.13Å; T208-E257 HydrophobicContact CG2-CG 3.58Å; T208-E257 WeakPolarHBondContact O-CB 3.27Å; T208-E257 WeakPolarHBondContact O-CG 3.45Å; T208-T297 PolarHBondContact N-OG1 3.43Å
209	F	95.6	Very high	98.4	Very high	5 Å²	5	23.9 Å²	23.9	2%	0.022	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	136.8	179.1	-174.4	-141.2	0	0	0	112.4	S207 G252 E257 L261 Y290 L291 P296 T297 K298	S207-F209 PolarHBondContact O-N 3.1Å; S207-F209 VanDerWaalsContact O-N 3.15Å; S207-F209 PolarHBondContact OG-O 3.34Å; S207-F209 VanDerWaalsContact OG-O 3.12Å; F209-G252 VanDerWaalsContact CD2-O 3.29Å; F209-G252 WeakPolarHBondContact CD2-O 3.46Å; F209-E257 HydrophobicContact CB-CB 4.21Å; F209-E257 HydrophobicContact CB-CG 4.41Å; F209-E257 HydrophobicContact CD2-CB 4.47Å; F209-E257 HydrophobicContact CG-CB 4.47Å; F209-L261 HydrophobicContact CE2-CB 4.5Å; F209-L261 HydrophobicContact CE2-CD1 3.43Å; F209-L261 VanDerWaalsContact CE2-CD1 3.43Å; F209-L261 HydrophobicContact CZ-CB 4.43Å; F209-L261 HydrophobicContact CZ-CD1 3.28Å; F209-L261 HydrophobicContact CZ-CG 4.37Å; F209-Y290 HydrophobicContact CE1-CD1 4.12Å; F209-Y290 AromaticContact CE1-CE1 3.82Å; F209-Y290 HydrophobicContact CE1-CE1 3.82Å; F209-Y290 HydrophobicContact CZ-CD1 4.05Å; F209-Y290 AromaticContact CZ-CE1 3.93Å; F209-Y290 HydrophobicContact CZ-CE1 3.93Å; F209-L291 HydrophobicContact CD1-CD2 4.25Å; F209-L291 HydrophobicContact CE1-CD2 3.25Å; F209-L291 HydrophobicContact CE1-CG 4.49Å; F209-L291 HydrophobicContact CE2-CD2 4.28Å; F209-L291 HydrophobicContact CZ-CD2 3.23Å; F209-L291 HydrophobicContact CZ-CG 4.26Å; F209-P296 HydrophobicContact CD1-CB 4.26Å; F209-P296 CarbonylContact O-C 3.56Å; F209-T297 PolarHBondContact N-OG1 3.19Å; F209-T297 WeakPolarHBondContact O-CA 3.34Å; F209-T297 PolarHBondContact O-N 3.39Å; F209-T297 PolarHBondContact O-OG1 3.2Å; F209-K298 PolarHBondContact O-N 3.26Å; F209-K298 VanDerWaalsContact O-N 3.16Å
210	F	98.8	Very high	98.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	149.6	176.4	73.1	-96.1	0	0	0	113.8	V189 I205 F250 G252 K298 L300	V189-F210 HydrophobicContact CG1-CZ 4.3Å; V189-F210 HydrophobicContact CG2-CE1 4.41Å; V189-F210 HydrophobicContact CG2-CZ 4.16Å; I205-F210 HydrophobicContact CD1-CE1 4.45Å; I205-F210 HydrophobicContact CD1-CZ 4.06Å; I205-F210 HydrophobicContact CG1-CE1 4.29Å; I205-F210 HydrophobicContact CG1-CZ 4.33Å; I205-F210 WeakPolarHBondContact O-CD1 3.45Å; F210-F250 HydrophobicContact CE2-CD1 4.45Å; F210-F250 HydrophobicContact CE2-CE1 4.48Å; F210-G252 VanDerWaalsContact CD1-C 3.43Å; F210-G252 WeakPolarHBondContact CD1-O 3.1Å; F210-G252 VanDerWaalsContact CE1-CA 3.42Å; F210-G252 VanDerWaalsContact CZ-CA 3.48Å; F210-G252 PolarHBondContact N-O 3.08Å; F210-G252 PolarHBondContact O-N 3.45Å; F210-K298 VanDerWaalsContact CA-O 3.22Å; F210-K298 WeakPolarHBondContact CA-O 3.22Å; F210-K298 HydrophobicContact CB-CB 4.05Å; F210-K298 WeakPolarHBondContact CB-O 3.46Å; F210-L300 HydrophobicContact CD2-CD1 3.55Å; F210-L300 HydrophobicContact CD2-CD2 4.44Å; F210-L300 HydrophobicContact CD2-CG 3.76Å; F210-L300 HydrophobicContact CE2-CD1 3.54Å; F210-L300 HydrophobicContact CE2-CG 4.27Å; F210-L300 HydrophobicContact CG-CD1 4.46Å; F210-L300 HydrophobicContact CG-CG 4.42Å; F210-L300 HydrophobicContact CZ-CD1 4.43Å
211	G	98.8	Very high	98.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	159.5	166.8	0	0	0	0	0	110.7	K298 V299 L300	G211-K298 PolarHBondContact N-O 3.46Å; G211-V299 CarbonylContact O-C 3.52Å; G211-V299 WeakPolarHBondContact O-CA 3.42Å; G211-L300 PolarHBondContact O-N 2.86Å
212	T	98.9	Very high	98.3	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	132.4	-176.4	-52.8	0	0	0	0	110.7	H214 Y246 G247 F250 L300 L305	T212-H214 PolarHBondContact O-N 3.43Å; T212-Y246 CarbonylContact O-C 3.54Å; T212-Y246 WeakPolarHBondContact O-CA 3.5Å; T212-G247 PolarHBondContact O-N 3.44Å; T212-F250 WeakPolarHBondContact CB-O 2.87Å; T212-F250 PolarHBondContact OG1-O 3.12Å; T212-L300 HydrophobicContact CG2-CB 3.93Å; T212-L305 HydrophobicContact CG2-CB 3.62Å; T212-L305 HydrophobicContact CG2-CD2 4.42Å
213	L	98.9	Very high	98.2	Very high	8 Å²	8	34.1 Å²	34.1	4%	0.042	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	126.6	175.2	-64	-178.7	0	0	0	110	I75 F244 V299 L300 P302	I75-L213 HydrophobicContact CG2-CD1 4.34Å; L213-F244 HydrophobicContact CD2-CB 3.44Å; L213-F244 VanDerWaalsContact CD2-CB 3.44Å; L213-F244 HydrophobicContact CD2-CD1 3.52Å; L213-F244 HydrophobicContact CD2-CD2 4.27Å; L213-F244 HydrophobicContact CD2-CE1 4.33Å; L213-F244 HydrophobicContact CD2-CG 3.48Å; L213-F244 VanDerWaalsContact CD2-CG 3.48Å; L213-V299 HydrophobicContact CD1-CG1 4.3Å; L213-V299 HydrophobicContact CD2-CG1 3.68Å; L213-V299 HydrophobicContact CG-CG1 3.66Å; L213-L300 WeakPolarHBondContact CG-O 3.26Å; L213-L300 PolarHBondContact N-O 2.84Å; L213-P302 HydrophobicContact CB-CG 3.97Å
214	H	98.8	Very high	98.2	Very high	47 Å²	47	36.7 Å²	36.7	22%	0.218	21%	0.214	C	C	.	.			trans	-67.7	133.7	177.7	-172.4	-80.9	0	0	0	110.4	T212 G216 F217 Y218 Y245 E284	T212-H214 PolarHBondContact O-N 3.43Å; H214-G216 VanDerWaalsContact C-N 3.26Å; H214-G216 PolarHBondContact ND1-N 3.49Å; H214-G216 PolarHBondContact O-N 2.93Å; H214-F217 HydrophobicContact CB-CD2 4.29Å; H214-F217 AromaticContact CG-CD2 3.97Å; H214-F217 AromaticContact ND1-CD2 3.42Å; H214-F217 WeakPolarHBondContact ND1-CD2 3.41Å; H214-F217 AromaticContact ND1-CE2 3.96Å; H214-F217 PolarHBondContact O-N 3.48Å; H214-F217 VanDerWaalsContact O-N 3.08Å; H214-Y218 PolarHBondContact O-N 2.82Å; H214-Y245 HydrophobicContact CB-CD1 3.57Å; H214-Y245 HydrophobicContact CB-CE1 4.18Å; H214-Y245 WeakPolarHBondContact CB-O 3.28Å; H214-Y245 AromaticContact CG-CD1 3.91Å; H214-Y245 PolarHBondContact N-O 3.1Å; H214-E284 IonicContact CD2-OE2 2.72Å
215	P	98.4	Very high	98.2	Very high	12 Å²	12	37.2 Å²	37.2	8%	0.078	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-24.6	-172	27.8	-37.3	0	0	0	113.9	F217 Y218 P302 L305 W306 L311	P215-F217 VanDerWaalsContact C-N 3.34Å; P215-Y218 WeakPolarHBondContact O-CD1 3.34Å; P215-Y218 VanDerWaalsContact O-CE1 3.29Å; P215-Y218 WeakPolarHBondContact O-CE1 3.4Å; P215-P302 HydrophobicContact CB-CB 4.28Å; P215-L305 VanDerWaalsContact CB-O 3.32Å; P215-L305 WeakPolarHBondContact CB-O 3.44Å; P215-L305 HydrophobicContact CG-CG 4.4Å; P215-L305 WeakPolarHBondContact CG-O 3.45Å; P215-W306 HydrophobicContact CB-CD2 4.3Å; P215-W306 HydrophobicContact CB-CE3 3.45Å; P215-W306 VanDerWaalsContact CB-CE3 3.45Å; P215-W306 HydrophobicContact CB-CZ3 3.61Å; P215-L311 HydrophobicContact CB-CD1 3.57Å; P215-L311 HydrophobicContact CG-CD1 4.24Å
216	G	98.1	Very high	98.1	Very high	36 Å²	36	39.5 Å²	39.5	37%	0.371	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-10.3	174.4	0	0	0	0	0	115.8	H214	H214-G216 VanDerWaalsContact C-N 3.26Å; H214-G216 PolarHBondContact ND1-N 3.49Å; H214-G216 PolarHBondContact O-N 2.93Å
217	F	98.6	Very high	98.1	Very high	39 Å²	39	39.8 Å²	39.8	17%	0.171	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.3	-3.7	-168.6	-65.9	-76	0	0	0	115.5	H214 P215 S219 S220 A224 F225 T226 Y245	H214-F217 HydrophobicContact CB-CD2 4.29Å; H214-F217 AromaticContact CG-CD2 3.97Å; H214-F217 AromaticContact ND1-CD2 3.42Å; H214-F217 WeakPolarHBondContact ND1-CD2 3.41Å; H214-F217 AromaticContact ND1-CE2 3.96Å; H214-F217 PolarHBondContact O-N 3.48Å; H214-F217 VanDerWaalsContact O-N 3.08Å; P215-F217 VanDerWaalsContact C-N 3.34Å; F217-S219 PolarHBondContact O-N 2.86Å; F217-S220 WeakPolarHBondContact O-CB 3.34Å; F217-S220 PolarHBondContact O-N 2.86Å; F217-A224 WeakPolarHBondContact CE1-O 3.37Å; F217-F225 HydrophobicContact CB-CD1 3.98Å; F217-F225 HydrophobicContact CB-CE1 3.97Å; F217-F225 HydrophobicContact CD1-CD1 4.04Å; F217-F225 HydrophobicContact CG-CD1 4.28Å; F217-F225 WeakPolarHBondContact O-CE1 3.23Å; F217-T226 HydrophobicContact CE1-CG2 4.04Å; F217-T226 HydrophobicContact CZ-CG2 3.6Å; F217-T226 WeakPolarHBondContact CZ-OG1 3.4Å; F217-Y245 HydrophobicContact CB-CD1 4.21Å; F217-Y245 HydrophobicContact CB-CG 4.21Å; F217-Y245 AromaticContact CD2-CD1 3.33Å; F217-Y245 HydrophobicContact CD2-CD1 3.33Å; F217-Y245 AromaticContact CD2-CE1 3.69Å; F217-Y245 HydrophobicContact CD2-CE1 3.69Å; F217-Y245 AromaticContact CD2-CG 3.92Å; F217-Y245 HydrophobicContact CD2-CG 3.92Å; F217-Y245 AromaticContact CE2-CD1 3.93Å; F217-Y245 HydrophobicContact CE2-CD1 3.93Å; F217-Y245 AromaticContact CE2-CE1 3.8Å; F217-Y245 HydrophobicContact CE2-CE1 3.8Å; F217-Y245 AromaticContact CG-CD1 3.97Å; F217-Y245 HydrophobicContact CG-CD1 3.97Å; F217-Y245 HydrophobicContact CG-CG 4.12Å
218	Y	97.9	Very high	98.2	Very high	69 Å²	69	39.4 Å²	39.4	27%	0.271	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-19.4	-174.6	73.1	-84.6	0	0	0	115.1	H214 P215 P302 W306 I316 M317	H214-Y218 PolarHBondContact O-N 2.82Å; P215-Y218 WeakPolarHBondContact O-CD1 3.34Å; P215-Y218 VanDerWaalsContact O-CE1 3.29Å; P215-Y218 WeakPolarHBondContact O-CE1 3.4Å; Y218-P302 HydrophobicContact CD1-CB 4.43Å; Y218-P302 HydrophobicContact CD1-CG 3.75Å; Y218-P302 HydrophobicContact CD2-CG 4.26Å; Y218-P302 HydrophobicContact CG-CG 3.6Å; Y218-W306 HydrophobicContact CD1-CZ3 4.32Å; Y218-W306 AromaticContact CE1-CH2 3.8Å; Y218-W306 HydrophobicContact CE1-CH2 3.8Å; Y218-W306 AromaticContact CE1-CZ3 3.79Å; Y218-W306 HydrophobicContact CE1-CZ3 3.79Å; Y218-I316 HydrophobicContact CE2-CG2 4.43Å; Y218-M317 HydrophobicContact CD2-CE 4.44Å; Y218-M317 HydrophobicContact CE1-CE 4.17Å; Y218-M317 HydrophobicContact CE2-CE 4.01Å
219	S	96.9	Very high	98.2	Very high	96 Å²	96	37.7 Å²	37.7	67%	0.671	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-0	175.4	57.5	0	0	0	0	113.8	F217	F217-S219 PolarHBondContact O-N 2.86Å
220	S	98.2	Very high	98.4	Very high	46 Å²	46	42.4 Å²	42.4	32%	0.322	23%	0.231	S	C	.	.	S	Bend	trans	-84.6	153.4	-175.9	-60.1	0	0	0	0	111.6	F217 F225	F217-S220 WeakPolarHBondContact O-CB 3.34Å; F217-S220 PolarHBondContact O-N 2.86Å; S220-F225 WeakPolarHBondContact O-CE1 3.38Å
221	S	98.1	Very high	98.3	Very high	69 Å²	69	46.7 Å²	46.7	48%	0.483	26%	0.258	S	S	.	.			trans	-75.1	158.9	169.4	78.6	0	0	0	0	110.9	E223 A224 F225	S221-E223 WeakPolarHBondContact CB-OE2 3.33Å; S221-E223 PolarHBondContact O-N 3.03Å; S221-E223 VanDerWaalsContact O-N 3.14Å; S221-E223 PolarHBondContact OG-OE2 2.84Å; S221-A224 WeakPolarHBondContact O-CB 3.16Å; S221-A224 PolarHBondContact O-N 3.39Å; S221-F225 PolarHBondContact O-N 2.82Å
222	R	97.9	Very high	98.3	Very high	109 Å²	109	52.8 Å²	52.8	41%	0.411	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.7	-174.2	71.6	170.1	73.8	89.7	-4.9	113.9	A224 F225 R229 W239 G242	R222-A224 VanDerWaalsContact C-N 3.28Å; R222-F225 VanDerWaalsContact CA-CD2 3.49Å; R222-F225 HydrophobicContact CB-CD2 3.96Å; R222-F225 HydrophobicContact CB-CE2 3.99Å; R222-F225 WeakPolarHBondContact O-CB 3.41Å; R222-F225 PolarHBondContact O-N 2.72Å; R222-R229 PolarHBondContact O-NH2 2.93Å; R222-W239 WeakPolarHBondContact CD-O 3.42Å; R222-G242 PolarHBondContact NE-O 2.65Å
223	E	97.1	Very high	98.3	Very high	88 Å²	88	53 Å²	53	41%	0.411	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-25.9	177.7	-52.4	74.8	-159.9	0	0	110.7	S221 W239	S221-E223 WeakPolarHBondContact CB-OE2 3.33Å; S221-E223 PolarHBondContact O-N 3.03Å; S221-E223 VanDerWaalsContact O-N 3.14Å; S221-E223 PolarHBondContact OG-OE2 2.84Å; E223-W239 WeakPolarHBondContact O-CZ3 3.41Å
224	A	98.1	Very high	98.3	Very high	54 Å²	54	55.8 Å²	55.8	45%	0.446	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-10.7	175.1	0	0	0	0	0	113.1	F217 S221 R222 T226	F217-A224 WeakPolarHBondContact CE1-O 3.37Å; S221-A224 WeakPolarHBondContact O-CB 3.16Å; S221-A224 PolarHBondContact O-N 3.39Å; R222-A224 VanDerWaalsContact C-N 3.28Å; A224-T226 PolarHBondContact O-N 2.86Å
225	F	98.7	Very high	98.3	Very high	12 Å²	12	53.6 Å²	53.6	5%	0.053	29%	0.291	C	S	.	.	S	Bend	trans	-64.5	131.9	176	-67	-14	0	0	0	110.9	F217 S220 S221 R222 Y227 R229 Y245	F217-F225 HydrophobicContact CB-CD1 3.98Å; F217-F225 HydrophobicContact CB-CE1 3.97Å; F217-F225 HydrophobicContact CD1-CD1 4.04Å; F217-F225 HydrophobicContact CG-CD1 4.28Å; F217-F225 WeakPolarHBondContact O-CE1 3.23Å; S220-F225 WeakPolarHBondContact O-CE1 3.38Å; S221-F225 PolarHBondContact O-N 2.82Å; R222-F225 VanDerWaalsContact CA-CD2 3.49Å; R222-F225 HydrophobicContact CB-CD2 3.96Å; R222-F225 HydrophobicContact CB-CE2 3.99Å; R222-F225 WeakPolarHBondContact O-CB 3.41Å; R222-F225 PolarHBondContact O-N 2.72Å; F225-Y227 HydrophobicContact CB-CD1 4.47Å; F225-Y227 HydrophobicContact CB-CD2 3.97Å; F225-Y227 HydrophobicContact CB-CE1 4.34Å; F225-Y227 HydrophobicContact CB-CE2 3.85Å; F225-Y227 HydrophobicContact CB-CG 4.29Å; F225-Y227 HydrophobicContact CD2-CE1 4.37Å; F225-Y227 AromaticContact CD2-CE2 3.61Å; F225-Y227 HydrophobicContact CD2-CE2 3.61Å; F225-Y227 AromaticContact CD2-CZ 3.51Å; F225-Y227 VanDerWaalsContact CD2-OH 3.29Å; F225-Y227 WeakPolarHBondContact CD2-OH 3.43Å; F225-Y227 HydrophobicContact CG-CE2 4.23Å; F225-Y227 PolarHBondContact O-N 2.93Å; F225-R229 PolarHBondContact O-NH2 2.9Å; F225-Y245 HydrophobicContact CB-CD2 3.79Å; F225-Y245 HydrophobicContact CB-CG 4.43Å; F225-Y245 HydrophobicContact CD1-CG 4.45Å; F225-Y245 HydrophobicContact CG-CD2 4.17Å; F225-Y245 HydrophobicContact CG-CG 4.37Å
226	T	98.5	Very high	98.3	Very high	47 Å²	47	55.9 Å²	55.9	29%	0.288	30%	0.298	S	S	.	.			trans	-82.3	42.2	-178.5	52.7	0	0	0	0	112.3	F217 A224 Y245 W281	F217-T226 HydrophobicContact CE1-CG2 4.04Å; F217-T226 HydrophobicContact CZ-CG2 3.6Å; F217-T226 WeakPolarHBondContact CZ-OG1 3.4Å; A224-T226 PolarHBondContact O-N 2.86Å; T226-Y245 VanDerWaalsContact OG1-CZ 3.28Å; T226-Y245 PolarHBondContact OG1-OH 3.44Å; T226-Y245 VanDerWaalsContact OG1-OH 3.11Å; T226-W281 PolarHBondContact OG1-NE1 2.81Å; T226-W281 VanDerWaalsContact OG1-NE1 3.09Å
227	Y	98.8	Very high	98.3	Very high	9 Å²	9	54.2 Å²	54.2	4%	0.035	28%	0.281	C	S	.	.			trans	-60.5	161.2	171.1	-59.1	-43.9	0	0	0	111.2	F225 R229 I237 F244 Y245 N288	F225-Y227 HydrophobicContact CB-CD1 4.47Å; F225-Y227 HydrophobicContact CB-CD2 3.97Å; F225-Y227 HydrophobicContact CB-CE1 4.34Å; F225-Y227 HydrophobicContact CB-CE2 3.85Å; F225-Y227 HydrophobicContact CB-CG 4.29Å; F225-Y227 HydrophobicContact CD2-CE1 4.37Å; F225-Y227 AromaticContact CD2-CE2 3.61Å; F225-Y227 HydrophobicContact CD2-CE2 3.61Å; F225-Y227 AromaticContact CD2-CZ 3.51Å; F225-Y227 VanDerWaalsContact CD2-OH 3.29Å; F225-Y227 WeakPolarHBondContact CD2-OH 3.43Å; F225-Y227 HydrophobicContact CG-CE2 4.23Å; F225-Y227 PolarHBondContact O-N 2.93Å; Y227-R229 WeakPolarHBondContact O-CG 3.44Å; Y227-R229 PolarHBondContact O-N 2.98Å; Y227-I237 HydrophobicContact CD1-CD1 3.77Å; Y227-I237 HydrophobicContact CD2-CB 3.81Å; Y227-I237 HydrophobicContact CD2-CD1 3.94Å; Y227-I237 HydrophobicContact CD2-CG1 4.46Å; Y227-I237 HydrophobicContact CD2-CG2 3.63Å; Y227-I237 HydrophobicContact CE1-CD1 4Å; Y227-I237 HydrophobicContact CE2-CB 4.5Å; Y227-I237 HydrophobicContact CE2-CD1 4.15Å; Y227-I237 HydrophobicContact CE2-CG2 3.92Å; Y227-I237 HydrophobicContact CG-CB 4.02Å; Y227-I237 HydrophobicContact CG-CD1 3.73Å; Y227-I237 HydrophobicContact CG-CG1 4.36Å; Y227-I237 HydrophobicContact CG-CG2 4.33Å; Y227-F244 VanDerWaalsContact OH-C 3.24Å; Y227-F244 PolarHBondContact OH-O 2.68Å; Y227-Y245 AromaticContact CD1-CD2 3.52Å; Y227-Y245 HydrophobicContact CD1-CD2 3.52Å; Y227-Y245 AromaticContact CD1-CE2 3.65Å; Y227-Y245 HydrophobicContact CD1-CE2 3.65Å; Y227-Y245 AromaticContact CE1-CD2 3.37Å; Y227-Y245 HydrophobicContact CE1-CD2 3.37Å; Y227-Y245 AromaticContact CE1-CE2 3.97Å; Y227-Y245 HydrophobicContact CE1-CE2 3.97Å; Y227-Y245 HydrophobicContact CE1-CG 4.3Å; Y227-Y245 HydrophobicContact CG-CD2 4.46Å; Y227-N288 HydrophobicContact CD1-CB 3.81Å; Y227-N288 HydrophobicContact CE1-CB 3.62Å; Y227-N288 WeakPolarHBondContact CE1-OD1 3.33Å
228	E	98.8	Very high	98.3	Very high	5 Å²	5	53.9 Å²	53.9	2%	0.023	28%	0.282	C	S	.	.			trans	-63.9	125.2	166.9	179.9	52.7	-109.6	0	0	109.9	R230 A235 Y236 I237 P279 V280	E228-R230 WeakPolarHBondContact OE1-CB 3.38Å; E228-R230 VanDerWaalsContact OE1-CG 3.31Å; E228-R230 WeakPolarHBondContact OE1-CG 3.37Å; E228-R230 IonicContact OE1-CZ 2.69Å; E228-R230 PolarHBondContact OE1-N 2.78Å; E228-R230 IonicContact OE1-NE 3.45Å; E228-R230 PolarHBondContact OE1-NE 3.37Å; E228-R230 IonicContact OE1-NH2 3.85Å; E228-R230 IonicContact OE2-CZ 2.61Å; E228-R230 IonicContact OE2-NE 3.69Å; E228-R230 PolarHBondContact OE2-NE 3.36Å; E228-R230 IonicContact OE2-NH2 3.62Å; E228-R230 PolarHBondContact OE2-NH2 3.49Å; E228-A235 HydrophobicContact CB-CB 3.87Å; E228-A235 HydrophobicContact CG-CB 4.27Å; E228-Y236 WeakPolarHBondContact O-CA 3.42Å; E228-I237 PolarHBondContact O-N 3.31Å; E228-P279 HydrophobicContact CB-CB 4.21Å; E228-P279 HydrophobicContact CG-CB 4.11Å; E228-P279 WeakPolarHBondContact OE2-CA 3.36Å; E228-V280 HydrophobicContact CB-CG1 4.44Å; E228-V280 PolarHBondContact OE2-N 2.76Å
229	R	98.6	Very high	98.3	Very high	41 Å²	41	57.7 Å²	57.7	16%	0.155	30%	0.296	C	S	.	.			trans	-111.8	-5.8	-174.9	-56.9	-53.4	-174.7	167.4	4.6	113.2	R222 F225 Y227 P231 Y236 I237 P238 W239	R222-R229 PolarHBondContact O-NH2 2.93Å; F225-R229 PolarHBondContact O-NH2 2.9Å; Y227-R229 WeakPolarHBondContact O-CG 3.44Å; Y227-R229 PolarHBondContact O-N 2.98Å; R229-P231 WeakPolarHBondContact O-CD 3.48Å; R229-Y236 VanDerWaalsContact C-CD2 3.48Å; R229-Y236 WeakPolarHBondContact O-CD2 3.4Å; R229-Y236 WeakPolarHBondContact O-CE2 3.43Å; R229-I237 VanDerWaalsContact CD-O 3.3Å; R229-I237 WeakPolarHBondContact CD-O 3.35Å; R229-I237 PolarHBondContact NH1-O 3.12Å; R229-P238 VanDerWaalsContact NH1-C 3.29Å; R229-P238 PolarHBondContact NH1-O 3.22Å; R229-W239 HydrophobicContact CB-CZ2 4.25Å; R229-W239 HydrophobicContact CG-CH2 3.9Å; R229-W239 HydrophobicContact CG-CZ2 3.79Å; R229-W239 HydrophobicContact CG-CZ3 4.39Å
230	R	98.6	Very high	98.4	Very high	104 Å²	104	58.4 Å²	58.4	39%	0.392	29%	0.293	S	S	.	.			trans	-79.3	115.2	173.9	-66	172.1	-68.6	172.8	0.3	109.2	E228 Q232 S233 I277 E278	E228-R230 WeakPolarHBondContact OE1-CB 3.38Å; E228-R230 VanDerWaalsContact OE1-CG 3.31Å; E228-R230 WeakPolarHBondContact OE1-CG 3.37Å; E228-R230 IonicContact OE1-CZ 2.69Å; E228-R230 PolarHBondContact OE1-N 2.78Å; E228-R230 IonicContact OE1-NE 3.45Å; E228-R230 PolarHBondContact OE1-NE 3.37Å; E228-R230 IonicContact OE1-NH2 3.85Å; E228-R230 IonicContact OE2-CZ 2.61Å; E228-R230 IonicContact OE2-NE 3.69Å; E228-R230 PolarHBondContact OE2-NE 3.36Å; E228-R230 IonicContact OE2-NH2 3.62Å; E228-R230 PolarHBondContact OE2-NH2 3.49Å; R230-Q232 PolarHBondContact O-N 3.16Å; R230-S233 PolarHBondContact O-N 2.83Å; R230-S233 VanDerWaalsContact O-N 3.09Å; R230-I277 HydrophobicContact CB-CD1 4.21Å; R230-E278 PolarHBondContact NH2-O 2.97Å
231	P	98.3	Very high	98.4	Very high	89 Å²	89	61.7 Å²	61.7	58%	0.578	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-14.7	-178.3	-24	35.3	0	0	0	115	R229 S233 Y236	R229-P231 WeakPolarHBondContact O-CD 3.48Å; P231-S233 VanDerWaalsContact C-N 3.27Å; P231-Y236 HydrophobicContact CB-CD1 4.23Å; P231-Y236 HydrophobicContact CB-CE1 4.23Å; P231-Y236 HydrophobicContact CB-CG 4.42Å; P231-Y236 HydrophobicContact CG-CD2 4.42Å; P231-Y236 HydrophobicContact CG-CE1 4.33Å; P231-Y236 HydrophobicContact CG-CE2 4.09Å
232	Q	98.4	Very high	98.3	Very high	129 Å²	129	58.9 Å²	58.9	60%	0.603	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-19.8	177.1	-59	81.9	0.4	0	0	113.1	R230 I277	R230-Q232 PolarHBondContact O-N 3.16Å; Q232-I277 HydrophobicContact CB-CD1 4.03Å
233	S	98.7	Very high	98.4	Very high	4 Å²	4	56.5 Å²	56.5	3%	0.028	28%	0.275	C	S	.	.	S	Bend	trans	-89.9	141.5	179.4	170.5	0	0	0	0	111.3	R230 P231 A235 Y236 D272	R230-S233 PolarHBondContact O-N 2.83Å; R230-S233 VanDerWaalsContact O-N 3.09Å; P231-S233 VanDerWaalsContact C-N 3.27Å; S233-A235 PolarHBondContact O-N 3.45Å; S233-A235 PolarHBondContact OG-N 3.02Å; S233-Y236 WeakPolarHBondContact O-CB 3.32Å; S233-Y236 PolarHBondContact O-N 2.82Å; S233-D272 WeakPolarHBondContact CA-OD1 3.26Å; S233-D272 VanDerWaalsContact CB-OD2 3.29Å; S233-D272 WeakPolarHBondContact CB-OD2 3.22Å; S233-D272 PolarHBondContact OG-OD2 2.78Å
234	Q	98.6	Very high	98.4	Very high	67 Å²	67	53.8 Å²	53.8	31%	0.313	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-28.7	170.5	-65.4	-53.6	-43.7	0	0	112.5	Y236 A268 E271 D272 Y286 K289	Q234-Y236 PolarHBondContact O-N 3.42Å; Q234-A268 HydrophobicContact CB-CB 3.78Å; Q234-A268 HydrophobicContact CG-CB 4.3Å; Q234-E271 VanDerWaalsContact CD-CD 3.42Å; Q234-E271 VanDerWaalsContact CD-OE2 3.26Å; Q234-E271 HydrophobicContact CG-CB 4.06Å; Q234-E271 HydrophobicContact CG-CG 4.07Å; Q234-E271 PolarHBondContact NE2-OE1 3.44Å; Q234-E271 PolarHBondContact NE2-OE2 3.46Å; Q234-D272 WeakPolarHBondContact CG-OD1 3.25Å; Q234-D272 PolarHBondContact N-OD1 3.45Å; Q234-D272 PolarHBondContact N-OD2 2.92Å; Q234-Y286 HydrophobicContact CB-CE1 4.24Å; Q234-K289 WeakPolarHBondContact O-CE 3.46Å; Q234-K289 WeakPolarHBondContact O-CG 3.32Å; Q234-K289 PolarHBondContact O-NZ 2.97Å
235	A	98.6	Very high	98.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-1.1	177.3	0	0	0	0	0	114.1	E228 S233 I237 P279 Y286	E228-A235 HydrophobicContact CB-CB 3.87Å; E228-A235 HydrophobicContact CG-CB 4.27Å; S233-A235 PolarHBondContact O-N 3.45Å; S233-A235 PolarHBondContact OG-N 3.02Å; A235-I237 PolarHBondContact O-N 2.92Å; A235-P279 HydrophobicContact CB-CB 4.02Å; A235-P279 HydrophobicContact CB-CG 4.45Å; A235-Y286 HydrophobicContact CB-CD1 3.83Å; A235-Y286 HydrophobicContact CB-CE1 4.01Å; A235-Y286 HydrophobicContact CB-CG 4.27Å
236	Y	98.8	Very high	98.5	Very high	61 Å²	61	51 Å²	51	24%	0.239	24%	0.24	C	C	.	.			trans	-56	128.9	-175.4	173.1	-120.4	0	0	0	114.1	E228 R229 P231 S233 Q234 P238 K289	E228-Y236 WeakPolarHBondContact O-CA 3.42Å; R229-Y236 VanDerWaalsContact C-CD2 3.48Å; R229-Y236 WeakPolarHBondContact O-CD2 3.4Å; R229-Y236 WeakPolarHBondContact O-CE2 3.43Å; P231-Y236 HydrophobicContact CB-CD1 4.23Å; P231-Y236 HydrophobicContact CB-CE1 4.23Å; P231-Y236 HydrophobicContact CB-CG 4.42Å; P231-Y236 HydrophobicContact CG-CD2 4.42Å; P231-Y236 HydrophobicContact CG-CE1 4.33Å; P231-Y236 HydrophobicContact CG-CE2 4.09Å; S233-Y236 WeakPolarHBondContact O-CB 3.32Å; S233-Y236 PolarHBondContact O-N 2.82Å; Q234-Y236 PolarHBondContact O-N 3.42Å; Y236-P238 HydrophobicContact CE1-CG 3.73Å; Y236-K289 WeakPolarHBondContact O-CD 3.3Å; Y236-K289 PolarHBondContact O-NZ 3.46Å
237	I	98.8	Very high	98.5	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	23%	0.227	C	C	.	.			trans	-126.2	122.4	170.1	-58.8	177.6	0	0	0	109.4	Y227 E228 R229 A235 R241 N288 K289 L292	Y227-I237 HydrophobicContact CD1-CD1 3.77Å; Y227-I237 HydrophobicContact CD2-CB 3.81Å; Y227-I237 HydrophobicContact CD2-CD1 3.94Å; Y227-I237 HydrophobicContact CD2-CG1 4.46Å; Y227-I237 HydrophobicContact CD2-CG2 3.63Å; Y227-I237 HydrophobicContact CE1-CD1 4Å; Y227-I237 HydrophobicContact CE2-CB 4.5Å; Y227-I237 HydrophobicContact CE2-CD1 4.15Å; Y227-I237 HydrophobicContact CE2-CG2 3.92Å; Y227-I237 HydrophobicContact CG-CB 4.02Å; Y227-I237 HydrophobicContact CG-CD1 3.73Å; Y227-I237 HydrophobicContact CG-CG1 4.36Å; Y227-I237 HydrophobicContact CG-CG2 4.33Å; E228-I237 PolarHBondContact O-N 3.31Å; R229-I237 VanDerWaalsContact CD-O 3.3Å; R229-I237 WeakPolarHBondContact CD-O 3.35Å; R229-I237 PolarHBondContact NH1-O 3.12Å; A235-I237 PolarHBondContact O-N 2.92Å; I237-R241 HydrophobicContact CG2-CB 3.9Å; I237-N288 HydrophobicContact CD1-CB 4.28Å; I237-K289 HydrophobicContact CG1-CD 4.12Å; I237-L292 HydrophobicContact CD1-CD2 4.09Å; I237-L292 HydrophobicContact CG1-CD2 4.09Å; I237-L292 HydrophobicContact CG2-CD2 3.8Å
238	P	98.3	Very high	98.4	Very high	31 Å²	31	48.6 Å²	48.6	20%	0.201	23%	0.227	C	C	.	.			trans	-59.1	156	173.4	-25.5	34.4	0	0	0	113.9	R229 Y236 D240 R241	R229-P238 VanDerWaalsContact NH1-C 3.29Å; R229-P238 PolarHBondContact NH1-O 3.22Å; Y236-P238 HydrophobicContact CE1-CG 3.73Å; P238-D240 VanDerWaalsContact C-N 3.25Å; P238-D240 WeakPolarHBondContact CB-OD1 3.3Å; P238-D240 PolarHBondContact O-N 3.28Å; P238-R241 HydrophobicContact CB-CB 4.45Å; P238-R241 HydrophobicContact CB-CG 4.07Å; P238-R241 HydrophobicContact CG-CG 4.22Å; P238-R241 PolarHBondContact O-N 3.17Å; P238-R241 VanDerWaalsContact O-N 3.1Å
239	W	98	Very high	98.4	Very high	149 Å²	149	49 Å²	49	56%	0.564	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-29.8	-177.3	-65.3	104.5	0	0	0	114.1	R222 E223 R229 R241	R222-W239 WeakPolarHBondContact CD-O 3.42Å; E223-W239 WeakPolarHBondContact O-CZ3 3.41Å; R229-W239 HydrophobicContact CB-CZ2 4.25Å; R229-W239 HydrophobicContact CG-CH2 3.9Å; R229-W239 HydrophobicContact CG-CZ2 3.79Å; R229-W239 HydrophobicContact CG-CZ3 4.39Å; W239-R241 VanDerWaalsContact C-N 3.31Å
240	D	97.8	Very high	98.4	Very high	111 Å²	111	47 Å²	47	59%	0.594	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	3	179.2	67.4	-33.4	0	0	0	113.4	P238	P238-D240 VanDerWaalsContact C-N 3.25Å; P238-D240 WeakPolarHBondContact CB-OD1 3.3Å; P238-D240 PolarHBondContact O-N 3.28Å
241	R	98.2	Very high	98.4	Very high	116 Å²	116	42.1 Å²	42.1	44%	0.438	21%	0.205	S	C	.	.			trans	-118.2	154.9	-178.5	-59	-68	-91.9	-97.7	-2.5	111.5	I237 P238 W239 L292	I237-R241 HydrophobicContact CG2-CB 3.9Å; P238-R241 HydrophobicContact CB-CB 4.45Å; P238-R241 HydrophobicContact CB-CG 4.07Å; P238-R241 HydrophobicContact CG-CG 4.22Å; P238-R241 PolarHBondContact O-N 3.17Å; P238-R241 VanDerWaalsContact O-N 3.1Å; W239-R241 VanDerWaalsContact C-N 3.31Å; R241-L292 HydrophobicContact CB-CD2 4.26Å
242	G	97.9	Very high	98.4	Very high	10 Å²	10	37.9 Å²	37.9	10%	0.103	18%	0.178	C	C	.	.			trans	120.8	129.3	-176.5	0	0	0	0	0	112.1	R222	R222-G242 PolarHBondContact NE-O 2.65Å
243	D	98.4	Very high	98.5	Very high	58 Å²	58	31.7 Å²	31.7	31%	0.31	15%	0.149	S	C	.	.	S	Bend	trans	-91.4	-51.1	172.5	-45.7	-83.4	0	0	0	110.4	W71 K295	W71-D243 HydrophobicContact CH2-CB 3.78Å; W71-D243 HydrophobicContact CZ3-CB 3.71Å; D243-K295 IonicContact OD1-NZ 3.09Å; D243-K295 PolarHBondContact OD1-NZ 2.87Å; D243-K295 IonicContact OD2-NZ 3.52Å; D243-K295 PolarHBondContact OD2-NZ 3.4Å
244	F	98.7	Very high	98.5	Very high	32 Å²	32	32.8 Å²	32.8	14%	0.14	16%	0.157	C	C	.	.			trans	-147.1	154.2	-178.3	-57.2	-74.5	0	0	0	110.5	L66 T69 W71 I75 L213 Y227 Y246	L66-F244 HydrophobicContact CD2-CZ 4.22Å; T69-F244 HydrophobicContact CG2-CE2 3.88Å; T69-F244 HydrophobicContact CG2-CZ 4.28Å; W71-F244 AromaticContact CH2-CD2 3.87Å; W71-F244 HydrophobicContact CH2-CD2 3.87Å; W71-F244 AromaticContact CH2-CE2 3.59Å; W71-F244 HydrophobicContact CH2-CE2 3.59Å; W71-F244 HydrophobicContact CZ2-CE2 4.34Å; W71-F244 HydrophobicContact CZ3-CE2 4.23Å; I75-F244 HydrophobicContact CD1-CE1 4.47Å; I75-F244 HydrophobicContact CD1-CZ 3.97Å; L213-F244 HydrophobicContact CD2-CB 3.44Å; L213-F244 VanDerWaalsContact CD2-CB 3.44Å; L213-F244 HydrophobicContact CD2-CD1 3.52Å; L213-F244 HydrophobicContact CD2-CD2 4.27Å; L213-F244 HydrophobicContact CD2-CE1 4.33Å; L213-F244 HydrophobicContact CD2-CG 3.48Å; L213-F244 VanDerWaalsContact CD2-CG 3.48Å; Y227-F244 VanDerWaalsContact OH-C 3.24Å; Y227-F244 PolarHBondContact OH-O 2.68Å; F244-Y246 HydrophobicContact CB-CE1 4.11Å; F244-Y246 HydrophobicContact CB-CE2 4.16Å; F244-Y246 HydrophobicContact CD2-CE1 4.37Å; F244-Y246 WeakPolarHBondContact CD2-OH 3.22Å; F244-Y246 WeakPolarHBondContact O-CD2 3.26Å
245	Y	98.9	Very high	98.5	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.016	14%	0.143	C	C	.	.			trans	-90.7	111.1	166.6	-164.5	-91.9	0	0	0	109.8	H214 F217 F225 T226 Y227 W281 E284	H214-Y245 HydrophobicContact CB-CD1 3.57Å; H214-Y245 HydrophobicContact CB-CE1 4.18Å; H214-Y245 WeakPolarHBondContact CB-O 3.28Å; H214-Y245 AromaticContact CG-CD1 3.91Å; H214-Y245 PolarHBondContact N-O 3.1Å; F217-Y245 HydrophobicContact CB-CD1 4.21Å; F217-Y245 HydrophobicContact CB-CG 4.21Å; F217-Y245 AromaticContact CD2-CD1 3.33Å; F217-Y245 HydrophobicContact CD2-CD1 3.33Å; F217-Y245 AromaticContact CD2-CE1 3.69Å; F217-Y245 HydrophobicContact CD2-CE1 3.69Å; F217-Y245 AromaticContact CD2-CG 3.92Å; F217-Y245 HydrophobicContact CD2-CG 3.92Å; F217-Y245 AromaticContact CE2-CD1 3.93Å; F217-Y245 HydrophobicContact CE2-CD1 3.93Å; F217-Y245 AromaticContact CE2-CE1 3.8Å; F217-Y245 HydrophobicContact CE2-CE1 3.8Å; F217-Y245 AromaticContact CG-CD1 3.97Å; F217-Y245 HydrophobicContact CG-CD1 3.97Å; F217-Y245 HydrophobicContact CG-CG 4.12Å; F225-Y245 HydrophobicContact CB-CD2 3.79Å; F225-Y245 HydrophobicContact CB-CG 4.43Å; F225-Y245 HydrophobicContact CD1-CG 4.45Å; F225-Y245 HydrophobicContact CG-CD2 4.17Å; F225-Y245 HydrophobicContact CG-CG 4.37Å; T226-Y245 VanDerWaalsContact OG1-CZ 3.28Å; T226-Y245 PolarHBondContact OG1-OH 3.44Å; T226-Y245 VanDerWaalsContact OG1-OH 3.11Å; Y227-Y245 AromaticContact CD1-CD2 3.52Å; Y227-Y245 HydrophobicContact CD1-CD2 3.52Å; Y227-Y245 AromaticContact CD1-CE2 3.65Å; Y227-Y245 HydrophobicContact CD1-CE2 3.65Å; Y227-Y245 AromaticContact CE1-CD2 3.37Å; Y227-Y245 HydrophobicContact CE1-CD2 3.37Å; Y227-Y245 AromaticContact CE1-CE2 3.97Å; Y227-Y245 HydrophobicContact CE1-CE2 3.97Å; Y227-Y245 HydrophobicContact CE1-CG 4.3Å; Y227-Y245 HydrophobicContact CG-CD2 4.46Å; Y245-W281 VanDerWaalsContact OH-CD1 3.26Å; Y245-E284 HydrophobicContact CE1-CG 4.42Å; Y245-E284 WeakPolarHBondContact CE1-OE1 3.46Å; Y245-E284 PolarHBondContact OH-OE1 3.26Å
246	Y	98.9	Very high	98.5	Very high	3 Å²	3	34 Å²	34	1%	0.012	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	140.1	-178.9	-57.6	-80.1	0	0	0	111	T212 F244 E284 N288 L291 P296 V299	T212-Y246 CarbonylContact O-C 3.54Å; T212-Y246 WeakPolarHBondContact O-CA 3.5Å; F244-Y246 HydrophobicContact CB-CE1 4.11Å; F244-Y246 HydrophobicContact CB-CE2 4.16Å; F244-Y246 HydrophobicContact CD2-CE1 4.37Å; F244-Y246 WeakPolarHBondContact CD2-OH 3.22Å; F244-Y246 WeakPolarHBondContact O-CD2 3.26Å; Y246-E284 WeakPolarHBondContact O-CG 3.39Å; Y246-N288 WeakPolarHBondContact CD2-OD1 3.33Å; Y246-N288 PolarHBondContact N-OD1 3.3Å; Y246-N288 PolarHBondContact O-ND2 2.86Å; Y246-L291 HydrophobicContact CD1-CD1 3.86Å; Y246-L291 HydrophobicContact CD2-CB 3.73Å; Y246-L291 HydrophobicContact CD2-CD1 3.35Å; Y246-L291 HydrophobicContact CD2-CG 4.17Å; Y246-L291 HydrophobicContact CE1-CD1 4.32Å; Y246-L291 HydrophobicContact CE2-CB 3.59Å; Y246-L291 HydrophobicContact CE2-CD1 3.87Å; Y246-L291 HydrophobicContact CE2-CG 4.32Å; Y246-L291 HydrophobicContact CG-CD1 3.33Å; Y246-P296 HydrophobicContact CE1-CG 4.28Å; Y246-V299 HydrophobicContact CE1-CG1 4.09Å; Y246-V299 HydrophobicContact CE1-CG2 4.16Å
247	G	98.4	Very high	98.4	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	134.3	176.7	0	0	0	0	0	112.7	T212 A249 E284	T212-G247 PolarHBondContact O-N 3.44Å; G247-A249 PolarHBondContact O-N 3.03Å; G247-E284 VanDerWaalsContact CA-OE2 3.3Å; G247-E284 WeakPolarHBondContact CA-OE2 3.44Å
248	G	97.6	Very high	98.4	Very high	4 Å²	4	33.6 Å²	33.6	4%	0.041	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	-14	176	0	0	0	0	0	114.4	E284	G248-E284 PolarHBondContact N-OE2 3.06Å
249	A	98	Very high	98.4	Very high	13 Å²	13	33.6 Å²	33.6	11%	0.107	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-15.6	-174.9	0	0	0	0	0	114.7	A191 D192 G247 L305	A191-A249 WeakPolarHBondContact CA-O 3.32Å; D192-A249 HydrophobicContact CB-CB 3.97Å; D192-A249 PolarHBondContact N-O 2.98Å; D192-A249 WeakPolarHBondContact OD2-CA 3.29Å; D192-A249 WeakPolarHBondContact OD2-CB 3.17Å; G247-A249 PolarHBondContact O-N 3.03Å; A249-L305 HydrophobicContact CB-CD1 3.69Å; A249-L305 HydrophobicContact CB-CD2 4.02Å
250	F	98.8	Very high	98.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	106.1	-177.6	-152.8	-118.6	0	0	0	112.7	V189 C190 A191 V201 I205 F210 T212 L300 Y322	V189-F250 HydrophobicContact CG1-CD2 4.28Å; V189-F250 HydrophobicContact CG1-CE1 4.47Å; V189-F250 HydrophobicContact CG1-CE2 3.46Å; V189-F250 VanDerWaalsContact CG1-CE2 3.46Å; V189-F250 HydrophobicContact CG1-CZ 3.57Å; C190-F250 WeakPolarHBondContact O-CA 3.37Å; A191-F250 HydrophobicContact CB-CD2 3.73Å; A191-F250 HydrophobicContact CB-CE2 3.82Å; V201-F250 HydrophobicContact CG1-CZ 4.19Å; I205-F250 HydrophobicContact CD1-CE1 4.23Å; I205-F250 HydrophobicContact CD1-CZ 4.22Å; F210-F250 HydrophobicContact CE2-CD1 4.45Å; F210-F250 HydrophobicContact CE2-CE1 4.48Å; T212-F250 WeakPolarHBondContact CB-O 2.87Å; T212-F250 PolarHBondContact OG1-O 3.12Å; F250-L300 HydrophobicContact CD1-CD1 3.87Å; F250-L300 HydrophobicContact CE1-CD1 3.77Å; F250-Y322 HydrophobicContact CB-CE1 4.44Å; F250-Y322 HydrophobicContact CD2-CD1 4.04Å; F250-Y322 AromaticContact CD2-CE1 3.7Å; F250-Y322 HydrophobicContact CD2-CE1 3.7Å; F250-Y322 HydrophobicContact CE2-CD1 4.39Å; F250-Y322 HydrophobicContact CE2-CE1 4.22Å; F250-Y322 HydrophobicContact CG-CD1 4.29Å; F250-Y322 HydrophobicContact CG-CE1 4.23Å
251	F	98.8	Very high	98.5	Very high	1 Å²	1	25 Å²	25	0%	0.004	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	170.7	176.1	66.2	-88.5	0	0	0	110.4	M170 I173 C190 L261 T262 L287	M170-F251 HydrophobicContact CE-CE1 4.19Å; M170-F251 HydrophobicContact CE-CZ 4.09Å; M170-F251 HydrophobicContact SD-CZ 4.22Å; I173-F251 HydrophobicContact CD1-CZ 4.28Å; C190-F251 HydrophobicContact CB-CD1 4.15Å; C190-F251 HydrophobicContact CB-CD2 4.05Å; C190-F251 HydrophobicContact CB-CE1 3.74Å; C190-F251 HydrophobicContact CB-CE2 3.63Å; C190-F251 HydrophobicContact CB-CG 4.29Å; C190-F251 HydrophobicContact CB-CZ 3.47Å; C190-F251 VanDerWaalsContact CB-CZ 3.47Å; C190-F251 PolarHBondContact N-O 3.14Å; C190-F251 PolarHBondContact O-N 3.13Å; C190-F251 VanDerWaalsContact O-N 3.14Å; F251-L261 HydrophobicContact CD2-CD1 4.24Å; F251-L261 HydrophobicContact CE2-CD2 4.15Å; F251-T262 HydrophobicContact CE2-CG2 4.12Å; F251-T262 HydrophobicContact CZ-CG2 4.36Å; F251-L287 HydrophobicContact CD1-CD2 4.33Å
252	G	98.8	Very high	98.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.3	-170.1	177.8	0	0	0	0	0	113.7	L188 F209 F210	L188-G252 CarbonylContact O-C 3.58Å; L188-G252 WeakPolarHBondContact O-CA 3.34Å; F209-G252 VanDerWaalsContact CD2-O 3.29Å; F209-G252 WeakPolarHBondContact CD2-O 3.46Å; F210-G252 VanDerWaalsContact CD1-C 3.43Å; F210-G252 WeakPolarHBondContact CD1-O 3.1Å; F210-G252 VanDerWaalsContact CE1-CA 3.42Å; F210-G252 VanDerWaalsContact CZ-CA 3.48Å; F210-G252 PolarHBondContact N-O 3.08Å; F210-G252 PolarHBondContact O-N 3.45Å
253	G	98.8	Very high	98.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.4	-164.5	-175.7	0	0	0	0	0	112	Y187 L188 S207 T208	Y187-G253 CarbonylContact C-O 3.6Å; Y187-G253 VanDerWaalsContact CA-O 3.23Å; Y187-G253 WeakPolarHBondContact CA-O 3.43Å; Y187-G253 WeakPolarHBondContact CB-O 3.45Å; L188-G253 PolarHBondContact N-O 2.95Å; L188-G253 PolarHBondContact O-N 2.84Å; S207-G253 CarbonylContact O-C 3.5Å; S207-G253 WeakPolarHBondContact O-CA 3.21Å; T208-G253 CarbonylContact O-C 3.57Å; T208-G253 WeakPolarHBondContact O-CA 3.39Å
254	S	98.8	Very high	98.5	Very high	27 Å²	27	21.4 Å²	21.4	19%	0.189	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	151	163.8	70.7	0	0	0	0	109.7	S207 T208 L256 E257 V258	S207-S254 PolarHBondContact O-N 3.06Å; T208-S254 PolarHBondContact O-N 3.1Å; T208-S254 PolarHBondContact O-OG 3.13Å; S254-L256 PolarHBondContact O-N 2.93Å; S254-L256 VanDerWaalsContact O-N 3.17Å; S254-E257 PolarHBondContact O-N 3.24Å; S254-E257 WeakPolarHBondContact OG-CG 3.45Å; S254-E257 PolarHBondContact OG-N 3.34Å; S254-V258 PolarHBondContact O-N 3Å
255	V	98.7	Very high	98.5	Very high	5 Å²	5	20 Å²	20	3%	0.03	11%	0.106	C	C	.	.	H	α-helix	trans	-54.5	-39.3	-179.2	-179.5	0	0	0	0	112.1	F181 L182 V185 D186 L188 V258 Y259	F181-V255 HydrophobicContact CB-CG1 3.83Å; F181-V255 HydrophobicContact CB-CG2 4.33Å; L182-V255 HydrophobicContact CB-CG1 4.37Å; L182-V255 HydrophobicContact CD2-CB 3.96Å; L182-V255 HydrophobicContact CD2-CG1 3.64Å; L182-V255 HydrophobicContact CG-CG1 3.69Å; V185-V255 HydrophobicContact CG2-CG2 3.65Å; V185-V255 VanDerWaalsContact O-CG2 3.23Å; V185-V255 WeakPolarHBondContact O-CG2 3.49Å; D186-V255 PolarHBondContact O-N 2.59Å; L188-V255 HydrophobicContact CD1-CB 4.31Å; L188-V255 HydrophobicContact CD1-CG1 3.95Å; L188-V255 HydrophobicContact CD1-CG2 4.13Å; L188-V255 HydrophobicContact CG-CG2 4.11Å; V255-V258 PolarHBondContact O-N 3.16Å; V255-Y259 WeakPolarHBondContact O-CB 3.44Å; V255-Y259 PolarHBondContact O-N 3.33Å
256	L	98.3	Very high	98.5	Very high	86 Å²	86	21.7 Å²	21.7	45%	0.45	11%	0.114	S	C	.	.	H	α-helix	trans	-63.9	-45.3	-178.9	-177.2	61.7	0	0	0	112.3	S254 Y259 H260	S254-L256 PolarHBondContact O-N 2.93Å; S254-L256 VanDerWaalsContact O-N 3.17Å; L256-Y259 WeakPolarHBondContact O-CB 3.49Å; L256-Y259 PolarHBondContact O-N 2.75Å; L256-H260 PolarHBondContact O-CD2 2.93Å; L256-H260 PolarHBondContact O-N 2.98Å
257	E	98.4	Very high	98.4	Very high	54 Å²	54	26.9 Å²	26.9	25%	0.252	14%	0.138	S	C	.	.	H	α-helix	trans	-69.6	-37.1	178.5	-68.2	-58.8	137	0	0	112.1	T208 F209 S254 Y259 H260 L261	T208-E257 HydrophobicContact CG2-CG 3.58Å; T208-E257 WeakPolarHBondContact O-CB 3.27Å; T208-E257 WeakPolarHBondContact O-CG 3.45Å; F209-E257 HydrophobicContact CB-CB 4.21Å; F209-E257 HydrophobicContact CB-CG 4.41Å; F209-E257 HydrophobicContact CD2-CB 4.47Å; F209-E257 HydrophobicContact CG-CB 4.47Å; S254-E257 PolarHBondContact O-N 3.24Å; S254-E257 WeakPolarHBondContact OG-CG 3.45Å; S254-E257 PolarHBondContact OG-N 3.34Å; E257-Y259 VanDerWaalsContact C-N 3.32Å; E257-Y259 PolarHBondContact O-N 3.17Å; E257-H260 PolarHBondContact O-N 3.18Å; E257-L261 PolarHBondContact O-N 3.25Å
258	V	98.6	Very high	98.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.2	-39.5	173.9	173.6	0	0	0	0	110.7	I173 L188 S254 V255 T262	I173-V258 HydrophobicContact CG2-CG1 3.71Å; L188-V258 HydrophobicContact CB-CB 4.36Å; L188-V258 HydrophobicContact CB-CG1 4.24Å; L188-V258 HydrophobicContact CB-CG2 4.1Å; L188-V258 HydrophobicContact CD1-CB 4.29Å; L188-V258 HydrophobicContact CD1-CG1 4.03Å; S254-V258 PolarHBondContact O-N 3Å; V255-V258 PolarHBondContact O-N 3.16Å; V258-T262 HydrophobicContact CG1-CG2 4.12Å; V258-T262 WeakPolarHBondContact O-CB 3.34Å; V258-T262 VanDerWaalsContact O-CG2 3.23Å; V258-T262 WeakPolarHBondContact O-CG2 3.45Å; V258-T262 PolarHBondContact O-N 3.17Å; V258-T262 PolarHBondContact O-OG1 2.88Å
259	Y	98.5	Very high	98.4	Very high	31 Å²	31	28.1 Å²	28.1	12%	0.122	15%	0.147	C	C	.	.	H	α-helix	trans	-57.6	-50.3	171	168.4	-101	0	0	0	111.8	S174 E178 V255 L256 E257 L261 T262 K263	S174-Y259 WeakPolarHBondContact O-CD2 3.39Å; E178-Y259 HydrophobicContact CB-CD2 4.42Å; E178-Y259 HydrophobicContact CB-CE2 4.09Å; V255-Y259 WeakPolarHBondContact O-CB 3.44Å; V255-Y259 PolarHBondContact O-N 3.33Å; L256-Y259 WeakPolarHBondContact O-CB 3.49Å; L256-Y259 PolarHBondContact O-N 2.75Å; E257-Y259 VanDerWaalsContact C-N 3.32Å; E257-Y259 PolarHBondContact O-N 3.17Å; Y259-L261 PolarHBondContact O-N 3.49Å; Y259-T262 PolarHBondContact O-N 3.33Å; Y259-T262 PolarHBondContact O-OG1 3.19Å; Y259-K263 HydrophobicContact CE1-CD 4.07Å; Y259-K263 HydrophobicContact CE2-CD 4.15Å; Y259-K263 WeakPolarHBondContact O-CB 3.42Å; Y259-K263 PolarHBondContact O-N 3.45Å; Y259-K263 WeakPolarHBondContact OH-CD 3.21Å; Y259-K263 PolarHBondContact OH-NZ 2.94Å; Y259-K263 VanDerWaalsContact OH-NZ 3.09Å
260	H	98.5	Very high	98.3	Very high	80 Å²	80	32 Å²	32	37%	0.37	16%	0.164	S	C	.	.	H	α-helix	trans	-61.4	-45.3	-179.3	-73.1	-52.4	0	0	0	112.8	L256 E257 A264	L256-H260 PolarHBondContact O-CD2 2.93Å; L256-H260 PolarHBondContact O-N 2.98Å; E257-H260 PolarHBondContact O-N 3.18Å; H260-A264 VanDerWaalsContact O-CB 3.28Å; H260-A264 WeakPolarHBondContact O-CB 3.16Å; H260-A264 PolarHBondContact O-N 3.4Å
261	L	98.4	Very high	98.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.4	-56.5	174.7	177.1	163.5	0	0	0	111.1	M170 F209 F251 E257 Y259 K263 A264 C265 L287 Y290	M170-L261 HydrophobicContact CE-CD2 4.22Å; M170-L261 HydrophobicContact SD-CD2 3.83Å; F209-L261 HydrophobicContact CE2-CB 4.5Å; F209-L261 HydrophobicContact CE2-CD1 3.43Å; F209-L261 VanDerWaalsContact CE2-CD1 3.43Å; F209-L261 HydrophobicContact CZ-CB 4.43Å; F209-L261 HydrophobicContact CZ-CD1 3.28Å; F209-L261 HydrophobicContact CZ-CG 4.37Å; F251-L261 HydrophobicContact CD2-CD1 4.24Å; F251-L261 HydrophobicContact CE2-CD2 4.15Å; E257-L261 PolarHBondContact O-N 3.25Å; Y259-L261 PolarHBondContact O-N 3.49Å; L261-K263 VanDerWaalsContact C-N 3.28Å; L261-K263 PolarHBondContact O-N 3.32Å; L261-A264 PolarHBondContact O-N 2.92Å; L261-C265 WeakPolarHBondContact O-CB 3.37Å; L261-C265 PolarHBondContact O-N 3.44Å; L261-C265 PolarHBondContact O-SG 3.46Å; L261-C265 VanDerWaalsContact O-SG 3.39Å; L261-L287 HydrophobicContact CD1-CD1 3.46Å; L261-L287 VanDerWaalsContact CD1-CD1 3.46Å; L261-L287 HydrophobicContact CD2-CD1 4.29Å; L261-L287 HydrophobicContact CG-CD1 4.33Å; L261-Y290 HydrophobicContact CB-CD1 4.01Å; L261-Y290 HydrophobicContact CB-CE1 3.68Å; L261-Y290 HydrophobicContact CB-CE2 4.5Å; L261-Y290 HydrophobicContact CD1-CD1 4Å; L261-Y290 HydrophobicContact CD1-CE1 4.31Å; L261-Y290 HydrophobicContact CG-CD1 3.81Å; L261-Y290 HydrophobicContact CG-CE1 4.04Å; L261-Y290 HydrophobicContact CG-CG 4.18Å; L261-Y290 PolarHBondContact N-OH 3.18Å
262	T	98.6	Very high	98.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66.9	-35.3	-169.6	54	0	0	0	0	111.1	M170 I173 S174 F251 V258 Y259 H266	M170-T262 WeakPolarHBondContact O-CB 3.42Å; M170-T262 HydrophobicContact SD-CG2 3.79Å; I173-T262 HydrophobicContact CB-CG2 3.95Å; I173-T262 HydrophobicContact CD1-CG2 4.43Å; I173-T262 HydrophobicContact CG2-CG2 3.72Å; S174-T262 WeakPolarHBondContact CA-OG1 3.36Å; S174-T262 WeakPolarHBondContact CB-OG1 3.46Å; S174-T262 PolarHBondContact N-OG1 2.99Å; F251-T262 HydrophobicContact CE2-CG2 4.12Å; F251-T262 HydrophobicContact CZ-CG2 4.36Å; V258-T262 HydrophobicContact CG1-CG2 4.12Å; V258-T262 WeakPolarHBondContact O-CB 3.34Å; V258-T262 VanDerWaalsContact O-CG2 3.23Å; V258-T262 WeakPolarHBondContact O-CG2 3.45Å; V258-T262 PolarHBondContact O-N 3.17Å; V258-T262 PolarHBondContact O-OG1 2.88Å; Y259-T262 PolarHBondContact O-N 3.33Å; Y259-T262 PolarHBondContact O-OG1 3.19Å; T262-H266 WeakPolarHBondContact O-CB 3.28Å; T262-H266 PolarHBondContact O-N 3.36Å
263	K	98.3	Very high	98.1	Very high	74 Å²	74	43.8 Å²	43.8	32%	0.322	22%	0.216	S	C	.	.	H	α-helix	trans	-64.2	-50	171.4	-175.2	173.4	-179	-179.7	0	112.3	Y259 L261 C265 H266 E267	Y259-K263 HydrophobicContact CE1-CD 4.07Å; Y259-K263 HydrophobicContact CE2-CD 4.15Å; Y259-K263 WeakPolarHBondContact O-CB 3.42Å; Y259-K263 PolarHBondContact O-N 3.45Å; Y259-K263 WeakPolarHBondContact OH-CD 3.21Å; Y259-K263 PolarHBondContact OH-NZ 2.94Å; Y259-K263 VanDerWaalsContact OH-NZ 3.09Å; L261-K263 VanDerWaalsContact C-N 3.28Å; L261-K263 PolarHBondContact O-N 3.32Å; K263-C265 PolarHBondContact O-N 2.85Å; K263-H266 PolarHBondContact O-N 3.49Å; K263-E267 WeakPolarHBondContact CE-OE1 3.25Å; K263-E267 HydrophobicContact CG-CG 4.46Å; K263-E267 WeakPolarHBondContact O-CG 3.28Å; K263-E267 PolarHBondContact O-N 2.97Å
264	A	98.5	Very high	98	Very high	35 Å²	35	47.8 Å²	47.8	29%	0.289	25%	0.249	S	C	.	.	H	α-helix	trans	-63.1	-41.5	-179.7	0	0	0	0	0	112.3	H260 L261 H266 E267 A268 Y290	H260-A264 VanDerWaalsContact O-CB 3.28Å; H260-A264 WeakPolarHBondContact O-CB 3.16Å; H260-A264 PolarHBondContact O-N 3.4Å; L261-A264 PolarHBondContact O-N 2.92Å; A264-H266 VanDerWaalsContact C-N 3.35Å; A264-E267 PolarHBondContact O-N 2.85Å; A264-A268 WeakPolarHBondContact O-CB 3.3Å; A264-A268 PolarHBondContact O-N 3.3Å; A264-Y290 HydrophobicContact CB-CD2 3.79Å; A264-Y290 HydrophobicContact CB-CE2 3.66Å
265	C	98.5	Very high	97.9	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.02	27%	0.266	C	S	.	.	H	α-helix	trans	-61.2	-43.8	173.7	-73	0	0	0	0	111.4	M170 L261 K263 A268 M269	M170-C265 HydrophobicContact CB-CB 4.28Å; M170-C265 HydrophobicContact CG-CB 3.91Å; M170-C265 HydrophobicContact SD-CB 4.06Å; L261-C265 WeakPolarHBondContact O-CB 3.37Å; L261-C265 PolarHBondContact O-N 3.44Å; L261-C265 PolarHBondContact O-SG 3.46Å; L261-C265 VanDerWaalsContact O-SG 3.39Å; K263-C265 PolarHBondContact O-N 2.85Å; C265-A268 PolarHBondContact O-N 3.23Å; C265-M269 HydrophobicContact CB-CE 4.43Å; C265-M269 WeakPolarHBondContact O-CG 3.34Å; C265-M269 PolarHBondContact O-N 3.34Å
266	H	98	Very high	97.8	Very high	39 Å²	39	54.6 Å²	54.6	18%	0.181	30%	0.301	C	S	.	.	H	α-helix	trans	-64.9	-44.2	177.5	177.2	56.7	0	0	0	112.4	M170 E171 T262 K263 A264 A268 M269 M270	M170-H266 HydrophobicContact CB-CB 4.26Å; E171-H266 IonicContact OE2-CE1 3.44Å; E171-H266 PolarHBondContact OE2-CE1 3.32Å; T262-H266 WeakPolarHBondContact O-CB 3.28Å; T262-H266 PolarHBondContact O-N 3.36Å; K263-H266 PolarHBondContact O-N 3.49Å; A264-H266 VanDerWaalsContact C-N 3.35Å; H266-A268 VanDerWaalsContact C-N 3.33Å; H266-A268 PolarHBondContact O-N 3.37Å; H266-M269 WeakPolarHBondContact O-CB 3.4Å; H266-M269 PolarHBondContact O-N 2.51Å; H266-M270 WeakPolarHBondContact O-CG 3.45Å; H266-M270 PolarHBondContact O-N 2.83Å
267	E	98.2	Very high	97.8	Very high	111 Å²	111	51.6 Å²	51.6	52%	0.519	29%	0.285	S	S	.	.	H	α-helix	trans	-59.7	-44.6	176.5	-72.7	171.2	173.6	0	0	111.2	K263 A264 M269 M270 E271	K263-E267 WeakPolarHBondContact CE-OE1 3.25Å; K263-E267 HydrophobicContact CG-CG 4.46Å; K263-E267 WeakPolarHBondContact O-CG 3.28Å; K263-E267 PolarHBondContact O-N 2.97Å; A264-E267 PolarHBondContact O-N 2.85Å; E267-M269 PolarHBondContact O-N 3.37Å; E267-M270 PolarHBondContact O-N 2.79Å; E267-E271 PolarHBondContact O-N 3.03Å; E267-E271 VanDerWaalsContact O-N 3.1Å
268	A	98.1	Very high	97.7	Very high	20 Å²	20	51.7 Å²	51.7	17%	0.165	29%	0.286	C	S	.	.	H	α-helix	trans	-62	-39.4	174.8	0	0	0	0	0	112.9	Q234 A264 C265 H266 M270 E271 D272 Y286	Q234-A268 HydrophobicContact CB-CB 3.78Å; Q234-A268 HydrophobicContact CG-CB 4.3Å; A264-A268 WeakPolarHBondContact O-CB 3.3Å; A264-A268 PolarHBondContact O-N 3.3Å; C265-A268 PolarHBondContact O-N 3.23Å; H266-A268 VanDerWaalsContact C-N 3.33Å; H266-A268 PolarHBondContact O-N 3.37Å; A268-M270 VanDerWaalsContact C-N 3.32Å; A268-M270 PolarHBondContact O-N 2.77Å; A268-E271 PolarHBondContact O-N 3.21Å; A268-D272 PolarHBondContact O-N 2.88Å; A268-Y286 HydrophobicContact CB-CD1 3.57Å; A268-Y286 HydrophobicContact CB-CE1 3.78Å
269	M	96.9	Very high	97.6	Very high	12 Å²	12	51.8 Å²	51.8	6%	0.059	29%	0.287	C	S	.	.	H	α-helix	trans	-61.1	-40.4	173.4	-72.2	164	-172.4	0	0	112.5	M167 M170 C265 H266 E267 E271 K273 D283 Y286	M167-M269 HydrophobicContact CB-CE 4.15Å; M167-M269 HydrophobicContact CB-SD 3.78Å; M167-M269 HydrophobicContact CG-CE 4.19Å; M167-M269 HydrophobicContact CG-SD 4.25Å; M170-M269 HydrophobicContact CB-CE 4.23Å; M170-M269 HydrophobicContact CB-SD 4.38Å; M170-M269 HydrophobicContact CG-CE 3.65Å; M170-M269 HydrophobicContact CG-SD 4.43Å; C265-M269 HydrophobicContact CB-CE 4.43Å; C265-M269 WeakPolarHBondContact O-CG 3.34Å; C265-M269 PolarHBondContact O-N 3.34Å; H266-M269 WeakPolarHBondContact O-CB 3.4Å; H266-M269 PolarHBondContact O-N 2.51Å; E267-M269 PolarHBondContact O-N 3.37Å; M269-E271 VanDerWaalsContact C-N 3.34Å; M269-K273 VanDerWaalsContact O-CB 3.25Å; M269-K273 WeakPolarHBondContact O-CB 3.33Å; M269-K273 PolarHBondContact O-N 2.89Å; M269-D283 HydrophobicContact CE-CB 3.52Å; M269-Y286 WeakPolarHBondContact CA-OH 3.3Å; M269-Y286 HydrophobicContact CB-CE2 4.2Å; M269-Y286 HydrophobicContact CE-CD2 3.5Å; M269-Y286 HydrophobicContact CE-CE2 3.95Å; M269-Y286 HydrophobicContact CE-CG 4.28Å; M269-Y286 HydrophobicContact CG-CD2 3.57Å; M269-Y286 HydrophobicContact CG-CE1 4.26Å; M269-Y286 HydrophobicContact CG-CE2 3.17Å; M269-Y286 HydrophobicContact CG-CG 4.23Å; M269-Y286 HydrophobicContact SD-CD2 4.44Å; M269-Y286 HydrophobicContact SD-CE2 4.42Å
270	M	96.6	Very high	97.5	Very high	95 Å²	95	53.8 Å²	53.8	47%	0.468	30%	0.302	S	S	.	.	H	α-helix	trans	-69	-35	-179.5	-68.4	-55.9	-62.3	0	0	111.8	H266 E267 A268 A274	H266-M270 WeakPolarHBondContact O-CG 3.45Å; H266-M270 PolarHBondContact O-N 2.83Å; E267-M270 PolarHBondContact O-N 2.79Å; A268-M270 VanDerWaalsContact C-N 3.32Å; A268-M270 PolarHBondContact O-N 2.77Å; M270-A274 WeakPolarHBondContact O-CB 3.28Å; M270-A274 PolarHBondContact O-N 3.46Å
271	E	98	Very high	97.5	Very high	95 Å²	95	55.5 Å²	55.5	44%	0.444	31%	0.305	S	S	.	.	H	α-helix	trans	-67.4	-48.2	173.2	-174.8	173.1	174.5	0	0	112	Q234 E267 A268 M269 K273 A274 N275	Q234-E271 VanDerWaalsContact CD-CD 3.42Å; Q234-E271 VanDerWaalsContact CD-OE2 3.26Å; Q234-E271 HydrophobicContact CG-CB 4.06Å; Q234-E271 HydrophobicContact CG-CG 4.07Å; Q234-E271 PolarHBondContact NE2-OE1 3.44Å; Q234-E271 PolarHBondContact NE2-OE2 3.46Å; E267-E271 PolarHBondContact O-N 3.03Å; E267-E271 VanDerWaalsContact O-N 3.1Å; A268-E271 PolarHBondContact O-N 3.21Å; M269-E271 VanDerWaalsContact C-N 3.34Å; E271-K273 VanDerWaalsContact C-N 3.29Å; E271-K273 PolarHBondContact O-N 3.34Å; E271-A274 WeakPolarHBondContact O-CB 3.41Å; E271-A274 PolarHBondContact O-N 2.9Å; E271-A274 VanDerWaalsContact O-N 3.09Å; E271-N275 PolarHBondContact O-N 3.19Å; E271-N275 PolarHBondContact O-ND2 3.37Å
272	D	98.2	Very high	97.4	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-58.7	-42.7	175.8	-92	15.8	0	0	0	111.4	S233 Q234 A268 A274 N275 G276 I277 Y286	S233-D272 WeakPolarHBondContact CA-OD1 3.26Å; S233-D272 VanDerWaalsContact CB-OD2 3.29Å; S233-D272 WeakPolarHBondContact CB-OD2 3.22Å; S233-D272 PolarHBondContact OG-OD2 2.78Å; Q234-D272 WeakPolarHBondContact CG-OD1 3.25Å; Q234-D272 PolarHBondContact N-OD1 3.45Å; Q234-D272 PolarHBondContact N-OD2 2.92Å; A268-D272 PolarHBondContact O-N 2.88Å; D272-A274 PolarHBondContact O-N 3.11Å; D272-N275 CarbonylContact O-C 3.59Å; D272-N275 WeakPolarHBondContact O-CA 3.44Å; D272-N275 PolarHBondContact O-N 3.29Å; D272-N275 VanDerWaalsContact O-N 3.1Å; D272-G276 PolarHBondContact O-N 3.01Å; D272-I277 CarbonylContact C-O 3.4Å; D272-I277 HydrophobicContact CB-CG2 3.67Å; D272-I277 WeakPolarHBondContact O-CG2 3.48Å; D272-I277 PolarHBondContact O-N 3.41Å; D272-Y286 WeakPolarHBondContact CB-OH 3.5Å; D272-Y286 PolarHBondContact OD2-OH 2.9Å
273	K	95.2	Very high	97.3	Very high	152 Å²	152	56.7 Å²	56.7	66%	0.661	31%	0.311	S	S	*	.	H	α-helix	trans	-60.5	-42.5	174.1	-176.2	176.6	-178.6	175.9	0	112.4	M269 E271 N275 G276	M269-K273 VanDerWaalsContact O-CB 3.25Å; M269-K273 WeakPolarHBondContact O-CB 3.33Å; M269-K273 PolarHBondContact O-N 2.89Å; E271-K273 VanDerWaalsContact C-N 3.29Å; E271-K273 PolarHBondContact O-N 3.34Å; K273-N275 PolarHBondContact O-N 3.18Å; K273-G276 PolarHBondContact O-N 2.98Å; K273-G276 VanDerWaalsContact O-N 3.15Å
274	A	97	Very high	97.4	Very high	84 Å²	84	54.4 Å²	54.4	69%	0.694	30%	0.301	S	S	*	.	H	α-helix	trans	-64.5	-31	176.1	0	0	0	0	0	112.2	M270 E271 D272 G276	M270-A274 WeakPolarHBondContact O-CB 3.28Å; M270-A274 PolarHBondContact O-N 3.46Å; E271-A274 WeakPolarHBondContact O-CB 3.41Å; E271-A274 PolarHBondContact O-N 2.9Å; E271-A274 VanDerWaalsContact O-N 3.09Å; D272-A274 PolarHBondContact O-N 3.11Å; A274-G276 VanDerWaalsContact C-N 3.31Å
275	N	96.8	Very high	97.4	Very high	100 Å²	100	52.8 Å²	52.8	54%	0.535	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	2.9	175.7	-66.8	-31.4	0	0	0	113.8	E271 D272 K273 I277	E271-N275 PolarHBondContact O-N 3.19Å; E271-N275 PolarHBondContact O-ND2 3.37Å; D272-N275 CarbonylContact O-C 3.59Å; D272-N275 WeakPolarHBondContact O-CA 3.44Å; D272-N275 PolarHBondContact O-N 3.29Å; D272-N275 VanDerWaalsContact O-N 3.1Å; K273-N275 PolarHBondContact O-N 3.18Å; N275-I277 VanDerWaalsContact C-N 3.3Å; N275-I277 HydrophobicContact CB-CG2 4.21Å; N275-I277 PolarHBondContact O-N 2.99Å
276	G	96.9	Very high	97.4	Very high	75 Å²	75	53 Å²	53	77%	0.773	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	26.1	179.6	0	0	0	0	0	114.1	D272 K273 A274	D272-G276 PolarHBondContact O-N 3.01Å; K273-G276 PolarHBondContact O-N 2.98Å; K273-G276 VanDerWaalsContact O-N 3.15Å; A274-G276 VanDerWaalsContact C-N 3.31Å
277	I	97.4	Very high	97.4	Very high	23 Å²	23	51.1 Å²	51.1	12%	0.118	28%	0.28	C	S	.	.			trans	-117.6	143.7	177.4	-171.1	162.5	0	0	0	110.5	R230 Q232 D272 N275	R230-I277 HydrophobicContact CB-CD1 4.21Å; Q232-I277 HydrophobicContact CB-CD1 4.03Å; D272-I277 CarbonylContact C-O 3.4Å; D272-I277 HydrophobicContact CB-CG2 3.67Å; D272-I277 WeakPolarHBondContact O-CG2 3.48Å; D272-I277 PolarHBondContact O-N 3.41Å; N275-I277 VanDerWaalsContact C-N 3.3Å; N275-I277 HydrophobicContact CB-CG2 4.21Å; N275-I277 PolarHBondContact O-N 2.99Å
278	E	96.9	Very high	97.4	Very high	57 Å²	57	45.9 Å²	45.9	27%	0.266	26%	0.255	S	S	.	.			trans	-129.4	128.3	171.3	-177.8	175.7	98.3	0	0	106.7	R161 M167 R230 H282	R161-E278 IonicContact CZ-OE1 3.49Å; R161-E278 IonicContact CZ-OE2 2.87Å; R161-E278 IonicContact NH1-OE1 2.59Å; R161-E278 IonicContact NH1-OE2 3.3Å; R161-E278 PolarHBondContact NH1-OE2 2.87Å; R161-E278 VanDerWaalsContact NH2-CD 3.35Å; R161-E278 IonicContact NH2-OE1 3.35Å; R161-E278 PolarHBondContact NH2-OE1 2.71Å; R161-E278 IonicContact NH2-OE2 2.87Å; R161-E278 PolarHBondContact NH2-OE2 2.81Å; R161-E278 VanDerWaalsContact NH2-OE2 3.11Å; M167-E278 HydrophobicContact CE-CG 4.27Å; M167-E278 WeakPolarHBondContact CE-OE2 3.35Å; M167-E278 HydrophobicContact SD-CG 4.34Å; R230-E278 PolarHBondContact NH2-O 2.97Å; E278-H282 IonicContact OE1-CD2 3.67Å; E278-H282 IonicContact OE1-NE2 3.73Å
279	P	96.1	Very high	97.5	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.013	26%	0.258	C	S	.	.			trans	-75.4	156.2	-172.8	31.2	-37.3	0	0	0	112.3	E228 A235 W281 H282 Y286	E228-P279 HydrophobicContact CB-CB 4.21Å; E228-P279 HydrophobicContact CG-CB 4.11Å; E228-P279 WeakPolarHBondContact OE2-CA 3.36Å; A235-P279 HydrophobicContact CB-CB 4.02Å; A235-P279 HydrophobicContact CB-CG 4.45Å; P279-W281 VanDerWaalsContact C-N 3.26Å; P279-W281 PolarHBondContact O-N 3.48Å; P279-W281 VanDerWaalsContact O-N 3.1Å; P279-H282 PolarHBondContact O-N 3.45Å; P279-Y286 WeakPolarHBondContact CD-OH 3.32Å; P279-Y286 HydrophobicContact CG-CD2 4.04Å; P279-Y286 HydrophobicContact CG-CE1 4.39Å; P279-Y286 HydrophobicContact CG-CE2 3.27Å; P279-Y286 VanDerWaalsContact CG-CZ 3.49Å
280	V	97.3	Very high	97.6	Very high	72 Å²	72	48 Å²	48	44%	0.436	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-37.3	-169.8	63	0	0	0	0	114.7	E228	E228-V280 HydrophobicContact CB-CG1 4.44Å; E228-V280 PolarHBondContact OE2-N 2.76Å
281	W	97.6	Very high	97.6	Very high	117 Å²	117	43.5 Å²	43.5	44%	0.443	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.1	35.5	177.3	-64.6	111.5	0	0	0	112.6	T226 Y245 P279 D283 E284 S285	T226-W281 PolarHBondContact OG1-NE1 2.81Å; T226-W281 VanDerWaalsContact OG1-NE1 3.09Å; Y245-W281 VanDerWaalsContact OH-CD1 3.26Å; P279-W281 VanDerWaalsContact C-N 3.26Å; P279-W281 PolarHBondContact O-N 3.48Å; P279-W281 VanDerWaalsContact O-N 3.1Å; W281-D283 PolarHBondContact O-N 2.92Å; W281-E284 HydrophobicContact CB-CB 4.23Å; W281-E284 WeakPolarHBondContact O-CB 3.16Å; W281-E284 PolarHBondContact O-N 3.29Å; W281-S285 WeakPolarHBondContact CA-OG 3.48Å; W281-S285 PolarHBondContact N-OG 3.21Å; W281-S285 PolarHBondContact O-N 2.95Å
282	H	97.3	Very high	97.7	Very high	18 Å²	18	39.6 Å²	39.6	8%	0.083	22%	0.22	C	C	.	.	H	α-helix	trans	53.1	-128.7	168.5	-43.9	92	0	0	0	112.2	W162 Q163 M167 E278 P279 E284 S285 Y286	W162-H282 AromaticContact CH2-CE1 3.33Å; W162-H282 WeakPolarHBondContact CH2-CE1 3.11Å; W162-H282 AromaticContact CH2-ND1 3.66Å; W162-H282 AromaticContact CZ2-CE1 3.92Å; W162-H282 AromaticContact CZ3-ND1 3.96Å; Q163-H282 WeakPolarHBondContact CG-CD2 3.22Å; Q163-H282 WeakPolarHBondContact CG-NE2 3.41Å; M167-H282 HydrophobicContact CG-CB 3.85Å; M167-H282 HydrophobicContact SD-CB 4.22Å; E278-H282 IonicContact OE1-CD2 3.67Å; E278-H282 IonicContact OE1-NE2 3.73Å; P279-H282 PolarHBondContact O-N 3.45Å; H282-E284 VanDerWaalsContact C-N 3.3Å; H282-E284 PolarHBondContact O-N 3.38Å; H282-S285 WeakPolarHBondContact O-CB 3.18Å; H282-S285 PolarHBondContact O-N 3.2Å; H282-S285 VanDerWaalsContact O-N 3.16Å; H282-Y286 WeakPolarHBondContact O-CD2 3.36Å
283	D	96.3	Very high	97.7	Very high	6 Å²	6	45.1 Å²	45.1	3%	0.032	24%	0.241	C	C	.	.	H	α-helix	trans	-60.5	-31.3	178.5	54.7	-60.6	0	0	0	114.6	S166 R169 M170 M269 W281 S285 Y286 L287	S166-D283 WeakPolarHBondContact CB-OD1 3.38Å; S166-D283 PolarHBondContact OG-OD1 2.99Å; S166-D283 PolarHBondContact OG-OD2 3.47Å; R169-D283 IonicContact CZ-OD2 2.72Å; R169-D283 IonicContact NE-OD2 3.55Å; R169-D283 IonicContact NH2-OD2 2.65Å; R169-D283 PolarHBondContact NH2-OD2 2.87Å; M170-D283 HydrophobicContact CE-CB 3.92Å; M170-D283 HydrophobicContact CG-CB 4.33Å; M269-D283 HydrophobicContact CE-CB 3.52Å; W281-D283 PolarHBondContact O-N 2.92Å; D283-S285 VanDerWaalsContact C-N 3.26Å; D283-S285 PolarHBondContact O-N 3.47Å; D283-Y286 PolarHBondContact O-N 2.66Å; D283-L287 WeakPolarHBondContact O-CB 3.46Å; D283-L287 PolarHBondContact O-N 3.45Å
284	E	98.6	Very high	97.8	Very high	27 Å²	27	42.3 Å²	42.3	13%	0.126	23%	0.23	C	C	.	.	H	α-helix	trans	-64.6	-32.3	176	-176.6	173.7	92.1	0	0	111.9	H214 Y245 Y246 G247 G248 W281 H282 L287 N288	H214-E284 IonicContact CD2-OE2 2.72Å; Y245-E284 HydrophobicContact CE1-CG 4.42Å; Y245-E284 WeakPolarHBondContact CE1-OE1 3.46Å; Y245-E284 PolarHBondContact OH-OE1 3.26Å; Y246-E284 WeakPolarHBondContact O-CG 3.39Å; G247-E284 VanDerWaalsContact CA-OE2 3.3Å; G247-E284 WeakPolarHBondContact CA-OE2 3.44Å; G248-E284 PolarHBondContact N-OE2 3.06Å; W281-E284 HydrophobicContact CB-CB 4.23Å; W281-E284 WeakPolarHBondContact O-CB 3.16Å; W281-E284 PolarHBondContact O-N 3.29Å; H282-E284 VanDerWaalsContact C-N 3.3Å; H282-E284 PolarHBondContact O-N 3.38Å; E284-L287 PolarHBondContact O-N 2.79Å; E284-N288 PolarHBondContact O-N 2.82Å; E284-N288 PolarHBondContact O-ND2 3.44Å
285	S	98.8	Very high	97.9	Very high	1 Å²	1	42 Å²	42	1%	0.007	21%	0.214	C	C	.	.	H	α-helix	trans	-66.4	-45.3	177.1	-60.8	0	0	0	0	111.5	W281 H282 D283 N288 K289	W281-S285 WeakPolarHBondContact CA-OG 3.48Å; W281-S285 PolarHBondContact N-OG 3.21Å; W281-S285 PolarHBondContact O-N 2.95Å; H282-S285 WeakPolarHBondContact O-CB 3.18Å; H282-S285 PolarHBondContact O-N 3.2Å; H282-S285 VanDerWaalsContact O-N 3.16Å; D283-S285 VanDerWaalsContact C-N 3.26Å; D283-S285 PolarHBondContact O-N 3.47Å; S285-N288 PolarHBondContact O-N 2.94Å; S285-K289 PolarHBondContact O-N 3.03Å; S285-K289 VanDerWaalsContact O-N 3.09Å
286	Y	98.7	Very high	98	Very high	6 Å²	6	37.3 Å²	37.3	2%	0.024	19%	0.188	C	C	.	.	H	α-helix	trans	-68	-37.7	175.7	-58	-79.5	0	0	0	112.1	Q234 A235 A268 M269 D272 P279 H282 D283 N288 K289 Y290	Q234-Y286 HydrophobicContact CB-CE1 4.24Å; A235-Y286 HydrophobicContact CB-CD1 3.83Å; A235-Y286 HydrophobicContact CB-CE1 4.01Å; A235-Y286 HydrophobicContact CB-CG 4.27Å; A268-Y286 HydrophobicContact CB-CD1 3.57Å; A268-Y286 HydrophobicContact CB-CE1 3.78Å; M269-Y286 WeakPolarHBondContact CA-OH 3.3Å; M269-Y286 HydrophobicContact CB-CE2 4.2Å; M269-Y286 HydrophobicContact CE-CD2 3.5Å; M269-Y286 HydrophobicContact CE-CE2 3.95Å; M269-Y286 HydrophobicContact CE-CG 4.28Å; M269-Y286 HydrophobicContact CG-CD2 3.57Å; M269-Y286 HydrophobicContact CG-CE1 4.26Å; M269-Y286 HydrophobicContact CG-CE2 3.17Å; M269-Y286 HydrophobicContact CG-CG 4.23Å; M269-Y286 HydrophobicContact SD-CD2 4.44Å; M269-Y286 HydrophobicContact SD-CE2 4.42Å; D272-Y286 WeakPolarHBondContact CB-OH 3.5Å; D272-Y286 PolarHBondContact OD2-OH 2.9Å; P279-Y286 WeakPolarHBondContact CD-OH 3.32Å; P279-Y286 HydrophobicContact CG-CD2 4.04Å; P279-Y286 HydrophobicContact CG-CE1 4.39Å; P279-Y286 HydrophobicContact CG-CE2 3.27Å; P279-Y286 VanDerWaalsContact CG-CZ 3.49Å; H282-Y286 WeakPolarHBondContact O-CD2 3.36Å; D283-Y286 PolarHBondContact O-N 2.66Å; Y286-N288 VanDerWaalsContact C-N 3.34Å; Y286-N288 PolarHBondContact O-N 2.85Å; Y286-K289 WeakPolarHBondContact O-CB 3.03Å; Y286-K289 PolarHBondContact O-N 2.76Å; Y286-Y290 WeakPolarHBondContact O-CB 3.37Å; Y286-Y290 PolarHBondContact O-N 3.29Å
287	L	98.6	Very high	98.1	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-56.8	-48.6	174.7	174.4	64.5	0	0	0	111	F251 L261 D283 E284 K289 Y290 L291	F251-L287 HydrophobicContact CD1-CD2 4.33Å; L261-L287 HydrophobicContact CD1-CD1 3.46Å; L261-L287 VanDerWaalsContact CD1-CD1 3.46Å; L261-L287 HydrophobicContact CD2-CD1 4.29Å; L261-L287 HydrophobicContact CG-CD1 4.33Å; D283-L287 WeakPolarHBondContact O-CB 3.46Å; D283-L287 PolarHBondContact O-N 3.45Å; E284-L287 PolarHBondContact O-N 2.79Å; L287-K289 VanDerWaalsContact C-N 3.34Å; L287-K289 PolarHBondContact O-N 3.14Å; L287-Y290 PolarHBondContact O-N 2.98Å; L287-L291 HydrophobicContact CD1-CD1 3.73Å; L287-L291 HydrophobicContact CD1-CG 4.04Å; L287-L291 HydrophobicContact CG-CD1 3.84Å; L287-L291 HydrophobicContact CG-CG 4.46Å; L287-L291 WeakPolarHBondContact O-CB 3.31Å; L287-L291 WeakPolarHBondContact O-CG 3.29Å; L287-L291 PolarHBondContact O-N 2.72Å
288	N	98.8	Very high	98.1	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-63.4	-40.5	178.5	-83.7	-79.4	0	0	0	112.1	Y227 I237 Y246 E284 S285 Y286 L292	Y227-N288 HydrophobicContact CD1-CB 3.81Å; Y227-N288 HydrophobicContact CE1-CB 3.62Å; Y227-N288 WeakPolarHBondContact CE1-OD1 3.33Å; I237-N288 HydrophobicContact CD1-CB 4.28Å; Y246-N288 WeakPolarHBondContact CD2-OD1 3.33Å; Y246-N288 PolarHBondContact N-OD1 3.3Å; Y246-N288 PolarHBondContact O-ND2 2.86Å; E284-N288 PolarHBondContact O-N 2.82Å; E284-N288 PolarHBondContact O-ND2 3.44Å; S285-N288 PolarHBondContact O-N 2.94Å; Y286-N288 VanDerWaalsContact C-N 3.34Å; Y286-N288 PolarHBondContact O-N 2.85Å; N288-L292 WeakPolarHBondContact O-CB 3.44Å; N288-L292 PolarHBondContact O-N 2.85Å
289	K	98.8	Very high	98.2	Very high	54 Å²	54	34.1 Å²	34.1	24%	0.235	16%	0.156	C	C	.	.	H	α-helix	trans	-58.8	-48.1	172.7	178.4	74.1	178	-141.1	0	111.2	Q234 Y236 I237 S285 Y286 L287 L292 Y293	Q234-K289 WeakPolarHBondContact O-CE 3.46Å; Q234-K289 WeakPolarHBondContact O-CG 3.32Å; Q234-K289 PolarHBondContact O-NZ 2.97Å; Y236-K289 WeakPolarHBondContact O-CD 3.3Å; Y236-K289 PolarHBondContact O-NZ 3.46Å; I237-K289 HydrophobicContact CG1-CD 4.12Å; S285-K289 PolarHBondContact O-N 3.03Å; S285-K289 VanDerWaalsContact O-N 3.09Å; Y286-K289 WeakPolarHBondContact O-CB 3.03Å; Y286-K289 PolarHBondContact O-N 2.76Å; L287-K289 VanDerWaalsContact C-N 3.34Å; L287-K289 PolarHBondContact O-N 3.14Å; K289-L292 PolarHBondContact O-N 2.82Å; K289-Y293 HydrophobicContact CD-CD2 4.29Å; K289-Y293 HydrophobicContact CD-CE2 3.87Å; K289-Y293 VanDerWaalsContact O-CD2 3.29Å; K289-Y293 WeakPolarHBondContact O-CD2 3.47Å
290	Y	98.8	Very high	98.4	Very high	23 Å²	23	34 Å²	34	9%	0.09	16%	0.156	C	C	.	.	H	α-helix	trans	-61.5	-49.3	-179.4	-172.9	-89.7	0	0	0	111.2	F209 L261 A264 Y286 L287 L292 Y293 H294	F209-Y290 HydrophobicContact CE1-CD1 4.12Å; F209-Y290 AromaticContact CE1-CE1 3.82Å; F209-Y290 HydrophobicContact CE1-CE1 3.82Å; F209-Y290 HydrophobicContact CZ-CD1 4.05Å; F209-Y290 AromaticContact CZ-CE1 3.93Å; F209-Y290 HydrophobicContact CZ-CE1 3.93Å; L261-Y290 HydrophobicContact CB-CD1 4.01Å; L261-Y290 HydrophobicContact CB-CE1 3.68Å; L261-Y290 HydrophobicContact CB-CE2 4.5Å; L261-Y290 HydrophobicContact CD1-CD1 4Å; L261-Y290 HydrophobicContact CD1-CE1 4.31Å; L261-Y290 HydrophobicContact CG-CD1 3.81Å; L261-Y290 HydrophobicContact CG-CE1 4.04Å; L261-Y290 HydrophobicContact CG-CG 4.18Å; L261-Y290 PolarHBondContact N-OH 3.18Å; A264-Y290 HydrophobicContact CB-CD2 3.79Å; A264-Y290 HydrophobicContact CB-CE2 3.66Å; Y286-Y290 WeakPolarHBondContact O-CB 3.37Å; Y286-Y290 PolarHBondContact O-N 3.29Å; L287-Y290 PolarHBondContact O-N 2.98Å; Y290-L292 VanDerWaalsContact C-N 3.28Å; Y290-L292 PolarHBondContact O-N 3.33Å; Y290-Y293 PolarHBondContact O-N 3.48Å; Y290-Y293 VanDerWaalsContact O-N 3.1Å; Y290-H294 HydrophobicContact CD1-CB 3.97Å; Y290-H294 AromaticContact CD2-ND1 3.62Å; Y290-H294 HydrophobicContact CE1-CB 3.58Å; Y290-H294 AromaticContact CE1-CG 3.8Å; Y290-H294 AromaticContact CE1-ND1 3.91Å; Y290-H294 AromaticContact CE2-CE1 3.74Å; Y290-H294 AromaticContact CE2-ND1 3.51Å; Y290-H294 AromaticContact CG-ND1 3.86Å; Y290-H294 AromaticContact CZ-CG 3.67Å; Y290-H294 AromaticContact CZ-ND1 3.67Å; Y290-H294 WeakPolarHBondContact O-CB 3.24Å; Y290-H294 PolarHBondContact O-N 3.03Å; Y290-H294 PolarHBondContact O-ND1 3.02Å; Y290-H294 VanDerWaalsContact O-ND1 3.14Å
291	L	98.4	Very high	98.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.6	-27	-178.8	-72.1	174.4	0	0	0	113.9	F209 Y246 L287 Y293 H294 P296	F209-L291 HydrophobicContact CD1-CD2 4.25Å; F209-L291 HydrophobicContact CE1-CD2 3.25Å; F209-L291 HydrophobicContact CE1-CG 4.49Å; F209-L291 HydrophobicContact CE2-CD2 4.28Å; F209-L291 HydrophobicContact CZ-CD2 3.23Å; F209-L291 HydrophobicContact CZ-CG 4.26Å; Y246-L291 HydrophobicContact CD1-CD1 3.86Å; Y246-L291 HydrophobicContact CD2-CB 3.73Å; Y246-L291 HydrophobicContact CD2-CD1 3.35Å; Y246-L291 HydrophobicContact CD2-CG 4.17Å; Y246-L291 HydrophobicContact CE1-CD1 4.32Å; Y246-L291 HydrophobicContact CE2-CB 3.59Å; Y246-L291 HydrophobicContact CE2-CD1 3.87Å; Y246-L291 HydrophobicContact CE2-CG 4.32Å; Y246-L291 HydrophobicContact CG-CD1 3.33Å; L287-L291 HydrophobicContact CD1-CD1 3.73Å; L287-L291 HydrophobicContact CD1-CG 4.04Å; L287-L291 HydrophobicContact CG-CD1 3.84Å; L287-L291 HydrophobicContact CG-CG 4.46Å; L287-L291 WeakPolarHBondContact O-CB 3.31Å; L287-L291 WeakPolarHBondContact O-CG 3.29Å; L287-L291 PolarHBondContact O-N 2.72Å; L291-Y293 VanDerWaalsContact C-N 3.29Å; L291-Y293 PolarHBondContact O-N 3.44Å; L291-H294 CarbonylContact O-C 3.18Å; L291-P296 HydrophobicContact CD2-CB 3.99Å; L291-P296 HydrophobicContact CD2-CG 4.1Å
292	L	98.5	Very high	98.5	Very high	13 Å²	13	25 Å²	25	7%	0.068	11%	0.114	C	C	.	.	H	α-helix	trans	-63.7	-36.3	173.1	177.1	60.6	0	0	0	111.8	I237 R241 N288 K289 Y290 K295	I237-L292 HydrophobicContact CD1-CD2 4.09Å; I237-L292 HydrophobicContact CG1-CD2 4.09Å; I237-L292 HydrophobicContact CG2-CD2 3.8Å; R241-L292 HydrophobicContact CB-CD2 4.26Å; N288-L292 WeakPolarHBondContact O-CB 3.44Å; N288-L292 PolarHBondContact O-N 2.85Å; K289-L292 PolarHBondContact O-N 2.82Å; Y290-L292 VanDerWaalsContact C-N 3.28Å; Y290-L292 PolarHBondContact O-N 3.33Å; L292-K295 WeakPolarHBondContact O-CE 3.28Å; L292-K295 PolarHBondContact O-NZ 2.8Å
293	Y	98.3	Very high	98.6	Very high	116 Å²	116	24.2 Å²	24.2	46%	0.455	11%	0.11	S	C	.	.	H	α-helix	trans	-102.5	-18.7	-176.9	-64.5	-73	0	0	0	113.7	K289 Y290 L291	K289-Y293 HydrophobicContact CD-CD2 4.29Å; K289-Y293 HydrophobicContact CD-CE2 3.87Å; K289-Y293 VanDerWaalsContact O-CD2 3.29Å; K289-Y293 WeakPolarHBondContact O-CD2 3.47Å; Y290-Y293 PolarHBondContact O-N 3.48Å; Y290-Y293 VanDerWaalsContact O-N 3.1Å; L291-Y293 VanDerWaalsContact C-N 3.29Å; L291-Y293 PolarHBondContact O-N 3.44Å
294	H	98.4	Very high	98.7	Very high	93 Å²	93	23.9 Å²	23.9	43%	0.431	11%	0.108	S	C	.	.	S	Bend	trans	-121.4	87.3	175.3	-54.2	89.7	0	0	0	108.2	Y290 L291	Y290-H294 HydrophobicContact CD1-CB 3.97Å; Y290-H294 AromaticContact CD2-ND1 3.62Å; Y290-H294 HydrophobicContact CE1-CB 3.58Å; Y290-H294 AromaticContact CE1-CG 3.8Å; Y290-H294 AromaticContact CE1-ND1 3.91Å; Y290-H294 AromaticContact CE2-CE1 3.74Å; Y290-H294 AromaticContact CE2-ND1 3.51Å; Y290-H294 AromaticContact CG-ND1 3.86Å; Y290-H294 AromaticContact CZ-CG 3.67Å; Y290-H294 AromaticContact CZ-ND1 3.67Å; Y290-H294 WeakPolarHBondContact O-CB 3.24Å; Y290-H294 PolarHBondContact O-N 3.03Å; Y290-H294 PolarHBondContact O-ND1 3.02Å; Y290-H294 VanDerWaalsContact O-ND1 3.14Å; L291-H294 CarbonylContact O-C 3.18Å
295	K	98.6	Very high	98.7	Very high	78 Å²	78	23.1 Å²	23.1	34%	0.339	11%	0.105	S	C	.	.			trans	-61.2	128.5	-170.7	-60.1	-53.6	-168.6	-169.5	0	110.8	W71 D243 L292	W71-K295 HydrophobicContact CD2-CB 4.11Å; W71-K295 HydrophobicContact CD2-CD 4.21Å; W71-K295 HydrophobicContact CD2-CG 4.17Å; W71-K295 HydrophobicContact CE3-CD 4.22Å; W71-K295 HydrophobicContact CG-CB 4.03Å; W71-K295 HydrophobicContact CG-CG 4.23Å; W71-K295 HydrophobicContact CH2-CD 4.49Å; W71-K295 HydrophobicContact CZ3-CD 4.36Å; D243-K295 IonicContact OD1-NZ 3.09Å; D243-K295 PolarHBondContact OD1-NZ 2.87Å; D243-K295 IonicContact OD2-NZ 3.52Å; D243-K295 PolarHBondContact OD2-NZ 3.4Å; L292-K295 WeakPolarHBondContact O-CE 3.28Å; L292-K295 PolarHBondContact O-NZ 2.8Å
296	P	98.6	Very high	98.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.105	C	C	.	.			trans	-69.7	141.8	178.8	30.5	-35.9	0	0	0	110.5	W71 A73 F209 Y246 L291 K298 V299	W71-P296 HydrophobicContact CZ2-CG 4.07Å; W71-P296 PolarHBondContact NE1-O 3.44Å; A73-P296 WeakPolarHBondContact CB-O 3.5Å; F209-P296 HydrophobicContact CD1-CB 4.26Å; F209-P296 CarbonylContact O-C 3.56Å; Y246-P296 HydrophobicContact CE1-CG 4.28Å; L291-P296 HydrophobicContact CD2-CB 3.99Å; L291-P296 HydrophobicContact CD2-CG 4.1Å; P296-K298 VanDerWaalsContact C-N 3.29Å; P296-K298 WeakPolarHBondContact CB-O 3.38Å; P296-K298 PolarHBondContact O-N 3.49Å; P296-V299 HydrophobicContact CG-CG2 3.82Å
297	T	98.8	Very high	98.7	Very high	59 Å²	59	24.7 Å²	24.7	36%	0.362	11%	0.114	S	C	.	.	S	Bend	trans	-77.2	-14.3	178.9	57.7	0	0	0	0	113.7	A73 P74 S207 T208 F209	A73-T297 WeakPolarHBondContact CB-O 3.48Å; P74-T297 WeakPolarHBondContact CD-O 3.37Å; S207-T297 VanDerWaalsContact CB-OG1 3.29Å; S207-T297 WeakPolarHBondContact CB-OG1 3.47Å; S207-T297 PolarHBondContact OG-OG1 3.08Å; T208-T297 PolarHBondContact N-OG1 3.43Å; F209-T297 PolarHBondContact N-OG1 3.19Å; F209-T297 WeakPolarHBondContact O-CA 3.34Å; F209-T297 PolarHBondContact O-N 3.39Å; F209-T297 PolarHBondContact O-OG1 3.2Å
298	K	98.9	Very high	98.6	Very high	30 Å²	30	29 Å²	29	13%	0.13	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	150.2	162.8	-68.6	-172.9	173.3	169.8	0	109.8	P74 I76 E204 L206 F209 F210 G211 P296	P74-K298 HydrophobicContact CG-CG 3.9Å; I76-K298 HydrophobicContact CD1-CD 4.01Å; I76-K298 HydrophobicContact CG1-CB 4.48Å; I76-K298 HydrophobicContact CG1-CD 4.22Å; E204-K298 PolarHBondContact O-NZ 2.98Å; L206-K298 WeakPolarHBondContact O-CE 3.34Å; L206-K298 PolarHBondContact O-NZ 2.75Å; F209-K298 PolarHBondContact O-N 3.26Å; F209-K298 VanDerWaalsContact O-N 3.16Å; F210-K298 VanDerWaalsContact CA-O 3.22Å; F210-K298 WeakPolarHBondContact CA-O 3.22Å; F210-K298 HydrophobicContact CB-CB 4.05Å; F210-K298 WeakPolarHBondContact CB-O 3.46Å; G211-K298 PolarHBondContact N-O 3.46Å; P296-K298 VanDerWaalsContact C-N 3.29Å; P296-K298 WeakPolarHBondContact CB-O 3.38Å; P296-K298 PolarHBondContact O-N 3.49Å
299	V	98.9	Very high	98.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.2	168.4	177.4	0	0	0	0	108	T69 W71 P74 I75 I76 G211 L213 Y246 P296	T69-V299 HydrophobicContact CG2-CG2 3.85Å; W71-V299 HydrophobicContact CZ2-CG2 4.18Å; P74-V299 PolarHBondContact O-N 3.19Å; I75-V299 CarbonylContact C-O 3.56Å; I75-V299 WeakPolarHBondContact CA-O 3.17Å; I75-V299 HydrophobicContact CG1-CB 4.25Å; I75-V299 HydrophobicContact CG2-CB 4.4Å; I75-V299 HydrophobicContact CG2-CG1 4.3Å; I76-V299 PolarHBondContact N-O 3.35Å; G211-V299 CarbonylContact O-C 3.52Å; G211-V299 WeakPolarHBondContact O-CA 3.42Å; L213-V299 HydrophobicContact CD1-CG1 4.3Å; L213-V299 HydrophobicContact CD2-CG1 3.68Å; L213-V299 HydrophobicContact CG-CG1 3.66Å; Y246-V299 HydrophobicContact CE1-CG1 4.09Å; Y246-V299 HydrophobicContact CE1-CG2 4.16Å; P296-V299 HydrophobicContact CG-CG2 3.82Å
300	L	98.9	Very high	98.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	135.5	175.4	-51.8	-171.6	0	0	0	109.5	I76 I205 F210 G211 T212 L213 F250 Y304	I76-L300 HydrophobicContact CB-CD2 3.88Å; I76-L300 HydrophobicContact CG1-CD2 3.68Å; I205-L300 HydrophobicContact CB-CD1 3.91Å; I205-L300 HydrophobicContact CB-CD2 3.78Å; I205-L300 HydrophobicContact CG2-CD1 3.86Å; I205-L300 HydrophobicContact CG2-CD2 3.83Å; F210-L300 HydrophobicContact CD2-CD1 3.55Å; F210-L300 HydrophobicContact CD2-CD2 4.44Å; F210-L300 HydrophobicContact CD2-CG 3.76Å; F210-L300 HydrophobicContact CE2-CD1 3.54Å; F210-L300 HydrophobicContact CE2-CG 4.27Å; F210-L300 HydrophobicContact CG-CD1 4.46Å; F210-L300 HydrophobicContact CG-CG 4.42Å; F210-L300 HydrophobicContact CZ-CD1 4.43Å; G211-L300 PolarHBondContact O-N 2.86Å; T212-L300 HydrophobicContact CG2-CB 3.93Å; L213-L300 WeakPolarHBondContact CG-O 3.26Å; L213-L300 PolarHBondContact N-O 2.84Å; F250-L300 HydrophobicContact CD1-CD1 3.87Å; F250-L300 HydrophobicContact CE1-CD1 3.77Å; L300-Y304 HydrophobicContact CB-CD2 3.98Å; L300-Y304 HydrophobicContact CB-CG 4.07Å; L300-Y304 HydrophobicContact CD1-CD1 4.24Å; L300-Y304 HydrophobicContact CD1-CG 4.08Å
301	S	98.9	Very high	98.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.2	C	C	.	.			trans	-66.7	167.1	171.8	65.9	0	0	0	0	111.6	I76 W77 E303 Y304	I76-S301 WeakPolarHBondContact O-CB 3.28Å; I76-S301 PolarHBondContact O-N 2.87Å; I76-S301 VanDerWaalsContact O-N 3.1Å; I76-S301 PolarHBondContact O-OG 3.45Å; W77-S301 VanDerWaalsContact CE3-CB 3.4Å; S301-E303 PolarHBondContact O-N 3.12Å; S301-E303 WeakPolarHBondContact OG-CB 3.32Å; S301-E303 WeakPolarHBondContact OG-CG 3.21Å; S301-E303 PolarHBondContact OG-N 2.79Å; S301-Y304 PolarHBondContact O-N 3.23Å
302	P	98.8	Very high	98.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-64.6	-5.2	174.3	-18.1	31.3	0	0	0	114.4	L213 P215 Y218 Y304 L305 W306 M317	L213-P302 HydrophobicContact CB-CG 3.97Å; P215-P302 HydrophobicContact CB-CB 4.28Å; Y218-P302 HydrophobicContact CD1-CB 4.43Å; Y218-P302 HydrophobicContact CD1-CG 3.75Å; Y218-P302 HydrophobicContact CD2-CG 4.26Å; Y218-P302 HydrophobicContact CG-CG 3.6Å; P302-Y304 PolarHBondContact O-N 3.27Å; P302-Y304 VanDerWaalsContact O-N 3.14Å; P302-L305 CarbonylContact O-C 3.5Å; P302-L305 VanDerWaalsContact O-C 3.24Å; P302-L305 PolarHBondContact O-N 3.5Å; P302-L305 VanDerWaalsContact O-N 3.13Å; P302-W306 HydrophobicContact CB-CE3 3.56Å; P302-W306 HydrophobicContact CB-CZ3 3.59Å; P302-W306 HydrophobicContact CG-CZ3 4.47Å; P302-M317 HydrophobicContact CB-CE 3.57Å; P302-M317 HydrophobicContact CB-SD 4.19Å; P302-M317 HydrophobicContact CG-CE 3.72Å
303	E	98.9	Very high	98.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-56.2	-26.9	166.9	-60.6	-176.8	170.6	0	0	111.5	R62 W77 E78 S301 M317 K318 K319 R321	R62-E303 IonicContact NH1-OE1 3.5Å; W77-E303 HydrophobicContact CE3-CG 4.02Å; W77-E303 HydrophobicContact CZ3-CG 4.24Å; E78-E303 WeakPolarHBondContact CB-OE1 3.47Å; E78-E303 WeakPolarHBondContact CB-OE2 3.38Å; E78-E303 PolarHBondContact N-OE1 3.01Å; E78-E303 PolarHBondContact N-OE2 3.18Å; S301-E303 PolarHBondContact O-N 3.12Å; S301-E303 WeakPolarHBondContact OG-CB 3.32Å; S301-E303 WeakPolarHBondContact OG-CG 3.21Å; S301-E303 PolarHBondContact OG-N 2.79Å; E303-M317 HydrophobicContact CG-SD 3.88Å; E303-K318 PolarHBondContact OE1-N 2.8Å; E303-K319 WeakPolarHBondContact CB-O 3.22Å; E303-K319 WeakPolarHBondContact CG-O 3.36Å; E303-R321 HydrophobicContact CB-CG 4.34Å; E303-R321 WeakPolarHBondContact O-CA 3.31Å; E303-R321 WeakPolarHBondContact O-CB 2.87Å; E303-R321 WeakPolarHBondContact O-CG 3.27Å; E303-R321 PolarHBondContact O-N 2.7Å; E303-R321 IonicContact OE2-CZ 3.59Å; E303-R321 IonicContact OE2-NE 3.46Å; E303-R321 PolarHBondContact OE2-NE 3.26Å; E303-R321 IonicContact OE2-NH2 3.51Å; E303-R321 PolarHBondContact OE2-NH2 3.16Å
304	Y	98.9	Very high	98.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-96.5	2	-178.6	-65.3	-92.1	0	0	0	114.1	I76 V201 E204 I205 L300 S301 P302 Y322	I76-Y304 HydrophobicContact CB-CE2 4.26Å; I76-Y304 HydrophobicContact CG2-CE2 3.8Å; I76-Y304 WeakPolarHBondContact CG2-OH 3.43Å; V201-Y304 HydrophobicContact CG1-CD1 4.16Å; V201-Y304 HydrophobicContact CG1-CE1 4.22Å; V201-Y304 HydrophobicContact CG2-CD1 4.12Å; V201-Y304 HydrophobicContact CG2-CE1 4.29Å; E204-Y304 WeakPolarHBondContact CG-OH 3.09Å; E204-Y304 WeakPolarHBondContact OE1-CE1 3.43Å; E204-Y304 PolarHBondContact OE1-OH 3.16Å; I205-Y304 HydrophobicContact CG2-CD1 3.79Å; I205-Y304 HydrophobicContact CG2-CE1 3.34Å; L300-Y304 HydrophobicContact CB-CD2 3.98Å; L300-Y304 HydrophobicContact CB-CG 4.07Å; L300-Y304 HydrophobicContact CD1-CD1 4.24Å; L300-Y304 HydrophobicContact CD1-CG 4.08Å; S301-Y304 PolarHBondContact O-N 3.23Å; P302-Y304 PolarHBondContact O-N 3.27Å; P302-Y304 VanDerWaalsContact O-N 3.14Å; Y304-Y322 WeakPolarHBondContact O-CB 3.32Å; Y304-Y322 WeakPolarHBondContact O-CD1 3.43Å
305	L	98.8	Very high	98.1	Very high	10 Å²	10	47.6 Å²	47.6	5%	0.052	25%	0.252	C	S	.	.	S	Bend	trans	-160.7	102.4	173	176.5	60.9	0	0	0	108.4	M195 T212 P215 A249 P302 Y322	M195-L305 HydrophobicContact CE-CD1 3.5Å; M195-L305 VanDerWaalsContact CE-CD1 3.5Å; M195-L305 HydrophobicContact SD-CD1 4.41Å; T212-L305 HydrophobicContact CG2-CB 3.62Å; T212-L305 HydrophobicContact CG2-CD2 4.42Å; P215-L305 VanDerWaalsContact CB-O 3.32Å; P215-L305 WeakPolarHBondContact CB-O 3.44Å; P215-L305 HydrophobicContact CG-CG 4.4Å; P215-L305 WeakPolarHBondContact CG-O 3.45Å; A249-L305 HydrophobicContact CB-CD1 3.69Å; A249-L305 HydrophobicContact CB-CD2 4.02Å; P302-L305 CarbonylContact O-C 3.5Å; P302-L305 VanDerWaalsContact O-C 3.24Å; P302-L305 PolarHBondContact O-N 3.5Å; P302-L305 VanDerWaalsContact O-N 3.13Å; L305-Y322 WeakPolarHBondContact CA-O 3.44Å; L305-Y322 HydrophobicContact CD1-CD1 4.42Å
306	W	98.7	Very high	98	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.015	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-136	148.1	-173.5	-160.7	-107.5	0	0	0	113.7	P215 Y218 P302 L311 G312 P314 M317 L320 Y322 V323 A324	P215-W306 HydrophobicContact CB-CD2 4.3Å; P215-W306 HydrophobicContact CB-CE3 3.45Å; P215-W306 VanDerWaalsContact CB-CE3 3.45Å; P215-W306 HydrophobicContact CB-CZ3 3.61Å; Y218-W306 HydrophobicContact CD1-CZ3 4.32Å; Y218-W306 AromaticContact CE1-CH2 3.8Å; Y218-W306 HydrophobicContact CE1-CH2 3.8Å; Y218-W306 AromaticContact CE1-CZ3 3.79Å; Y218-W306 HydrophobicContact CE1-CZ3 3.79Å; P302-W306 HydrophobicContact CB-CE3 3.56Å; P302-W306 HydrophobicContact CB-CZ3 3.59Å; P302-W306 HydrophobicContact CG-CZ3 4.47Å; W306-L311 HydrophobicContact CH2-CB 4.06Å; W306-L311 HydrophobicContact CH2-CD1 4.07Å; W306-L311 HydrophobicContact CZ2-CB 3.51Å; W306-L311 HydrophobicContact CZ2-CD1 4.18Å; W306-L311 HydrophobicContact CZ3-CD1 4.22Å; W306-G312 PolarHBondContact NE1-O 3.26Å; W306-P314 HydrophobicContact CH2-CG 3.96Å; W306-P314 VanDerWaalsContact CZ2-CD 3.46Å; W306-P314 HydrophobicContact CZ2-CG 3.76Å; W306-M317 HydrophobicContact CE3-CE 4.14Å; W306-M317 HydrophobicContact CE3-SD 4.37Å; W306-M317 HydrophobicContact CH2-CE 3.91Å; W306-M317 HydrophobicContact CH2-CG 4.24Å; W306-M317 HydrophobicContact CZ2-CG 4.34Å; W306-M317 HydrophobicContact CZ3-CE 3.51Å; W306-M317 HydrophobicContact CZ3-CG 4.35Å; W306-M317 HydrophobicContact CZ3-SD 4.27Å; W306-L320 HydrophobicContact CB-CD2 4.24Å; W306-L320 VanDerWaalsContact CD1-CD2 3.49Å; W306-L320 HydrophobicContact CD2-CD2 4.15Å; W306-L320 HydrophobicContact CG-CD2 3.69Å; W306-Y322 PolarHBondContact N-O 2.97Å; W306-V323 CarbonylContact O-C 3.59Å; W306-V323 VanDerWaalsContact O-CA 3.27Å; W306-V323 WeakPolarHBondContact O-CA 3.39Å; W306-A324 PolarHBondContact O-N 3.44Å
307	D	98.3	Very high	98	Very high	37 Å²	37	45.9 Å²	45.9	20%	0.198	25%	0.245	C	C	.	.			trans	-116.4	99.2	166.8	-171.1	-38.8	0	0	0	108.8	Q309 L310 L311 A324	D307-Q309 VanDerWaalsContact C-N 3.29Å; D307-Q309 PolarHBondContact O-N 2.9Å; D307-Q309 WeakPolarHBondContact OD1-CB 3.24Å; D307-Q309 PolarHBondContact OD1-N 3.43Å; D307-L310 HydrophobicContact CB-CB 4.31Å; D307-L310 PolarHBondContact OD1-N 2.95Å; D307-L310 WeakPolarHBondContact OD2-CD1 3.39Å; D307-L311 VanDerWaalsContact O-CB 3.29Å; D307-L311 WeakPolarHBondContact O-CB 3.35Å; D307-L311 PolarHBondContact O-N 2.78Å; D307-A324 HydrophobicContact CB-CB 4.18Å
308	Q	96.8	Very high	98	Very high	90 Å²	90	48 Å²	48	42%	0.421	25%	0.25	S	C	.	.	H	α-helix	trans	-69.8	-28.7	-177.6	-170.6	178.1	9.3	0	0	112.3	G312 L320 V323	Q308-G312 VanDerWaalsContact O-CA 3.28Å; Q308-G312 WeakPolarHBondContact O-CA 3.41Å; Q308-G312 PolarHBondContact O-N 2.61Å; Q308-L320 HydrophobicContact CB-CD1 4.32Å; Q308-L320 HydrophobicContact CG-CD1 4.07Å; Q308-V323 HydrophobicContact CB-CG1 4.08Å
309	Q	95.9	Very high	98	Very high	143 Å²	143	48.8 Å²	48.8	67%	0.668	25%	0.253	S	S	*	.	H	α-helix	trans	-70.5	-41	-178.9	-177.8	177.7	-3	0	0	110.7	D307	D307-Q309 VanDerWaalsContact C-N 3.29Å; D307-Q309 PolarHBondContact O-N 2.9Å; D307-Q309 WeakPolarHBondContact OD1-CB 3.24Å; D307-Q309 PolarHBondContact OD1-N 3.43Å
310	L	96.4	Very high	97.9	Very high	131 Å²	131	49.3 Å²	49.3	69%	0.686	26%	0.256	S	S	*	.	H	α-helix	trans	-84.6	-34.9	-178.7	-64.5	-179	0	0	0	113.3	D307	D307-L310 HydrophobicContact CB-CB 4.31Å; D307-L310 PolarHBondContact OD1-N 2.95Å; D307-L310 WeakPolarHBondContact OD2-CD1 3.39Å
311	L	97.6	Very high	97.9	Very high	73 Å²	73	49.3 Å²	49.3	38%	0.382	26%	0.256	S	S	.	.	H	α-helix	trans	-114.6	-2.2	-167.5	-55	171.3	0	0	0	113.7	P215 W306 D307	P215-L311 HydrophobicContact CB-CD1 3.57Å; P215-L311 HydrophobicContact CG-CD1 4.24Å; W306-L311 HydrophobicContact CH2-CB 4.06Å; W306-L311 HydrophobicContact CH2-CD1 4.07Å; W306-L311 HydrophobicContact CZ2-CB 3.51Å; W306-L311 HydrophobicContact CZ2-CD1 4.18Å; W306-L311 HydrophobicContact CZ3-CD1 4.22Å; D307-L311 VanDerWaalsContact O-CB 3.29Å; D307-L311 WeakPolarHBondContact O-CB 3.35Å; D307-L311 PolarHBondContact O-N 2.78Å
312	G	97.8	Very high	97.9	Very high	34 Å²	34	49.3 Å²	49.3	35%	0.351	26%	0.256	S	S	.	.			trans	63.3	-149.3	-176.2	0	0	0	0	0	112.4	W306 Q308	W306-G312 PolarHBondContact NE1-O 3.26Å; Q308-G312 VanDerWaalsContact O-CA 3.28Å; Q308-G312 WeakPolarHBondContact O-CA 3.41Å; Q308-G312 PolarHBondContact O-N 2.61Å
313	W	98	Very high	97.9	Very high	148 Å²	148	49.5 Å²	49.5	56%	0.561	26%	0.257	S	S	*	.			trans	-132.3	86.2	175.4	-169.3	-16.7	0	0	0	109.9	M317 L320	W313-M317 PolarHBondContact NE1-O 3.36Å; W313-L320 HydrophobicContact CB-CD1 4.27Å; W313-L320 HydrophobicContact CD2-CD1 3.64Å; W313-L320 HydrophobicContact CD2-CG 3.93Å; W313-L320 HydrophobicContact CE3-CD1 3.84Å; W313-L320 HydrophobicContact CE3-CG 4.4Å; W313-L320 HydrophobicContact CG-CD1 3.85Å; W313-L320 HydrophobicContact CG-CG 4.23Å; W313-L320 HydrophobicContact CZ2-CG 4.23Å; W313-L320 HydrophobicContact CZ3-CD1 4.43Å
314	P	97.3	Very high	97.9	Very high	41 Å²	41	50.3 Å²	50.3	27%	0.266	26%	0.263	S	S	.	.			trans	-70.8	148.4	179	29.4	-33.9	0	0	0	111	W306 I316 M317	W306-P314 HydrophobicContact CH2-CG 3.96Å; W306-P314 VanDerWaalsContact CZ2-CD 3.46Å; W306-P314 HydrophobicContact CZ2-CG 3.76Å; P314-I316 HydrophobicContact CB-CG2 4.16Å; P314-I316 HydrophobicContact CG-CG2 4.09Å; P314-I316 PolarHBondContact O-N 2.68Å; P314-M317 HydrophobicContact CG-CG 3.92Å; P314-M317 WeakPolarHBondContact O-CB 3.44Å; P314-M317 PolarHBondContact O-N 3.05Å
315	S	96.3	Very high	97.8	Very high	122 Å²	122	51.4 Å²	51.4	85%	0.853	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-20.2	-174.7	56.8	0	0	0	0	115	M317	S315-M317 PolarHBondContact O-N 3.02Å
316	I	97.3	Very high	97.6	Very high	39 Å²	39	55.4 Å²	55.4	20%	0.2	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-27.6	174	-161.8	172.1	0	0	0	112.3	R62 V65 Y218 P314 K318	R62-I316 PolarHBondContact NH2-O 2.76Å; V65-I316 HydrophobicContact CG1-CD1 3.43Å; V65-I316 VanDerWaalsContact CG1-CD1 3.43Å; V65-I316 HydrophobicContact CG1-CG1 3.44Å; V65-I316 VanDerWaalsContact CG1-CG1 3.44Å; Y218-I316 HydrophobicContact CE2-CG2 4.43Å; P314-I316 HydrophobicContact CB-CG2 4.16Å; P314-I316 HydrophobicContact CG-CG2 4.09Å; P314-I316 PolarHBondContact O-N 2.68Å; I316-K318 PolarHBondContact O-N 3.01Å
317	M	97.9	Very high	97.3	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.01	31%	0.307	C	S	.	.			trans	-86.7	104.3	174.1	-60.6	-61.3	158.8	0	0	108.3	W77 Y218 P302 E303 W306 W313 P314 S315 K319 L320	W77-M317 HydrophobicContact CH2-CE 3.84Å; W77-M317 HydrophobicContact CH2-SD 4.3Å; W77-M317 HydrophobicContact CZ3-CE 3.85Å; W77-M317 HydrophobicContact CZ3-SD 3.7Å; Y218-M317 HydrophobicContact CD2-CE 4.44Å; Y218-M317 HydrophobicContact CE1-CE 4.17Å; Y218-M317 HydrophobicContact CE2-CE 4.01Å; P302-M317 HydrophobicContact CB-CE 3.57Å; P302-M317 HydrophobicContact CB-SD 4.19Å; P302-M317 HydrophobicContact CG-CE 3.72Å; E303-M317 HydrophobicContact CG-SD 3.88Å; W306-M317 HydrophobicContact CE3-CE 4.14Å; W306-M317 HydrophobicContact CE3-SD 4.37Å; W306-M317 HydrophobicContact CH2-CE 3.91Å; W306-M317 HydrophobicContact CH2-CG 4.24Å; W306-M317 HydrophobicContact CZ2-CG 4.34Å; W306-M317 HydrophobicContact CZ3-CE 3.51Å; W306-M317 HydrophobicContact CZ3-CG 4.35Å; W306-M317 HydrophobicContact CZ3-SD 4.27Å; W313-M317 PolarHBondContact NE1-O 3.36Å; P314-M317 HydrophobicContact CG-CG 3.92Å; P314-M317 WeakPolarHBondContact O-CB 3.44Å; P314-M317 PolarHBondContact O-N 3.05Å; S315-M317 PolarHBondContact O-N 3.02Å; M317-K319 VanDerWaalsContact C-N 3.31Å; M317-L320 HydrophobicContact CB-CD2 3.95Å; M317-L320 HydrophobicContact CG-CD2 4.34Å
318	K	98.3	Very high	97	Very high	103 Å²	103	60.9 Å²	60.9	45%	0.448	32%	0.324	S	S	.	.	S	Bend	trans	-78.2	-24.3	177	-65.3	-177	179.3	177.9	0	112	E78 E303 I316	E78-K318 HydrophobicContact CB-CB 3.84Å; E78-K318 HydrophobicContact CB-CD 4.14Å; E78-K318 HydrophobicContact CG-CB 3.98Å; E78-K318 HydrophobicContact CG-CD 4.14Å; E303-K318 PolarHBondContact OE1-N 2.8Å; I316-K318 PolarHBondContact O-N 3.01Å
319	K	98.6	Very high	96.4	Very high	48 Å²	48	60.9 Å²	60.9	21%	0.209	32%	0.323	C	S	.	.			trans	-141.2	147.4	179.4	-67.8	-173	164.9	-134.8	0	110.3	E78 D199 E303 M317 R321	E78-K319 HydrophobicContact CB-CD 4.46Å; E78-K319 HydrophobicContact CB-CG 4.44Å; E78-K319 HydrophobicContact CG-CD 4.04Å; E78-K319 HydrophobicContact CG-CG 4.18Å; E78-K319 WeakPolarHBondContact OE2-CD 3.21Å; D199-K319 VanDerWaalsContact CG-NZ 3.31Å; D199-K319 IonicContact OD1-NZ 2.68Å; D199-K319 PolarHBondContact OD1-NZ 3.22Å; D199-K319 WeakPolarHBondContact OD2-CD 3.45Å; D199-K319 WeakPolarHBondContact OD2-CE 3.47Å; D199-K319 WeakPolarHBondContact OD2-CG 3.49Å; D199-K319 IonicContact OD2-NZ 3.99Å; D199-K319 PolarHBondContact OD2-NZ 3.48Å; D199-K319 VanDerWaalsContact OD2-NZ 3.08Å; E303-K319 WeakPolarHBondContact CB-O 3.22Å; E303-K319 WeakPolarHBondContact CG-O 3.36Å; M317-K319 VanDerWaalsContact C-N 3.31Å; K319-R321 HydrophobicContact CB-CG 4.08Å
320	L	98.6	Very high	95.9	Very high	10 Å²	10	61.2 Å²	61.2	5%	0.052	33%	0.325	C	S	.	.			trans	-114.4	99.8	168.8	-57.5	-175.5	0	0	0	107.3	S198 W306 Q308 W313 M317 V323	S198-L320 WeakPolarHBondContact CB-O 3.26Å; W306-L320 HydrophobicContact CB-CD2 4.24Å; W306-L320 VanDerWaalsContact CD1-CD2 3.49Å; W306-L320 HydrophobicContact CD2-CD2 4.15Å; W306-L320 HydrophobicContact CG-CD2 3.69Å; Q308-L320 HydrophobicContact CB-CD1 4.32Å; Q308-L320 HydrophobicContact CG-CD1 4.07Å; W313-L320 HydrophobicContact CB-CD1 4.27Å; W313-L320 HydrophobicContact CD2-CD1 3.64Å; W313-L320 HydrophobicContact CD2-CG 3.93Å; W313-L320 HydrophobicContact CE3-CD1 3.84Å; W313-L320 HydrophobicContact CE3-CG 4.4Å; W313-L320 HydrophobicContact CG-CD1 3.85Å; W313-L320 HydrophobicContact CG-CG 4.23Å; W313-L320 HydrophobicContact CZ2-CG 4.23Å; W313-L320 HydrophobicContact CZ3-CD1 4.43Å; M317-L320 HydrophobicContact CB-CD2 3.95Å; M317-L320 HydrophobicContact CG-CD2 4.34Å; L320-V323 HydrophobicContact CB-CG2 3.83Å
321	R	98.8	Very high	95.6	Very high	1 Å²	1	57.5 Å²	57.5	0%	0.004	31%	0.314	C	S	.	.			trans	-93.9	-36.8	-165.5	-52	168.4	-176.7	-83.2	0.4	112.7	E78 F197 S198 D199 H200 V201 E303 K319	E78-R321 IonicContact OE2-CZ 3.58Å; E78-R321 IonicContact OE2-NH1 3.4Å; E78-R321 IonicContact OE2-NH2 3.11Å; E78-R321 PolarHBondContact OE2-NH2 3.35Å; F197-R321 CarbonylContact C-O 3.47Å; F197-R321 VanDerWaalsContact CA-O 3.32Å; F197-R321 WeakPolarHBondContact CA-O 3.35Å; S198-R321 PolarHBondContact N-O 2.74Å; D199-R321 HydrophobicContact CB-CB 4.4Å; D199-R321 HydrophobicContact CB-CG 4.19Å; D199-R321 PolarHBondContact N-O 3.13Å; H200-R321 WeakPolarHBondContact O-CD 3.45Å; H200-R321 PolarHBondContact O-NH1 3.46Å; V201-R321 HydrophobicContact CG2-CB 3.65Å; E303-R321 HydrophobicContact CB-CG 4.34Å; E303-R321 WeakPolarHBondContact O-CA 3.31Å; E303-R321 WeakPolarHBondContact O-CB 2.87Å; E303-R321 WeakPolarHBondContact O-CG 3.27Å; E303-R321 PolarHBondContact O-N 2.7Å; E303-R321 IonicContact OE2-CZ 3.59Å; E303-R321 IonicContact OE2-NE 3.46Å; E303-R321 PolarHBondContact OE2-NE 3.26Å; E303-R321 IonicContact OE2-NH2 3.51Å; E303-R321 PolarHBondContact OE2-NH2 3.16Å; K319-R321 HydrophobicContact CB-CG 4.08Å
322	Y	98.8	Very high	95.2	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	111.6	-178.8	-177.5	-118.8	0	0	0	109.2	F114 A191 D192 M195 K196 F197 F250 Y304 L305 W306	F114-Y322 HydrophobicContact CD2-CE2 4.34Å; F114-Y322 AromaticContact CE2-CE2 3.93Å; F114-Y322 HydrophobicContact CE2-CE2 3.93Å; A191-Y322 WeakPolarHBondContact CB-OH 3.17Å; D192-Y322 PolarHBondContact N-OH 3.37Å; D192-Y322 PolarHBondContact O-OH 2.84Å; M195-Y322 HydrophobicContact CB-CD1 4.46Å; M195-Y322 HydrophobicContact CB-CD2 4Å; M195-Y322 HydrophobicContact CB-CE1 3.82Å; M195-Y322 HydrophobicContact CB-CE2 3.25Å; M195-Y322 VanDerWaalsContact CB-OH 3.28Å; M195-Y322 WeakPolarHBondContact CB-OH 3.2Å; M195-Y322 HydrophobicContact CE-CD1 3.65Å; M195-Y322 HydrophobicContact CE-CE1 3.69Å; M195-Y322 HydrophobicContact CE-CG 4.19Å; M195-Y322 HydrophobicContact CG-CE1 3.73Å; M195-Y322 HydrophobicContact CG-CE2 4.1Å; M195-Y322 VanDerWaalsContact CG-CZ 3.47Å; M195-Y322 WeakPolarHBondContact CG-OH 3.46Å; K196-Y322 CarbonylContact O-C 3.58Å; K196-Y322 WeakPolarHBondContact O-CA 3.46Å; F197-Y322 AromaticContact CD1-CD2 3.71Å; F197-Y322 HydrophobicContact CD1-CD2 3.71Å; F197-Y322 HydrophobicContact CD1-CE2 4.41Å; F197-Y322 HydrophobicContact CD1-CG 4.43Å; F197-Y322 HydrophobicContact CD2-CD2 4.12Å; F197-Y322 HydrophobicContact CD2-CE2 4.21Å; F197-Y322 AromaticContact CE1-CD2 3.62Å; F197-Y322 HydrophobicContact CE1-CD2 3.62Å; F197-Y322 HydrophobicContact CE1-CE2 4.01Å; F197-Y322 HydrophobicContact CE1-CG 4.29Å; F197-Y322 HydrophobicContact CE2-CD2 4.03Å; F197-Y322 AromaticContact CE2-CE2 3.77Å; F197-Y322 HydrophobicContact CE2-CE2 3.77Å; F197-Y322 AromaticContact CG-CD2 3.96Å; F197-Y322 HydrophobicContact CG-CD2 3.96Å; F197-Y322 AromaticContact CZ-CD2 3.79Å; F197-Y322 HydrophobicContact CZ-CD2 3.79Å; F197-Y322 AromaticContact CZ-CE2 3.67Å; F197-Y322 HydrophobicContact CZ-CE2 3.67Å; F250-Y322 HydrophobicContact CB-CE1 4.44Å; F250-Y322 HydrophobicContact CD2-CD1 4.04Å; F250-Y322 AromaticContact CD2-CE1 3.7Å; F250-Y322 HydrophobicContact CD2-CE1 3.7Å; F250-Y322 HydrophobicContact CE2-CD1 4.39Å; F250-Y322 HydrophobicContact CE2-CE1 4.22Å; F250-Y322 HydrophobicContact CG-CD1 4.29Å; F250-Y322 HydrophobicContact CG-CE1 4.23Å; Y304-Y322 WeakPolarHBondContact O-CB 3.32Å; Y304-Y322 WeakPolarHBondContact O-CD1 3.43Å; L305-Y322 WeakPolarHBondContact CA-O 3.44Å; L305-Y322 HydrophobicContact CD1-CD1 4.42Å; W306-Y322 PolarHBondContact N-O 2.97Å
323	V	98.6	Very high	94.7	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.024	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	138.7	-159.6	-173.1	0	0	0	0	110.9	M195 K196 W306 Q308 L320	M195-V323 CarbonylContact C-O 3.59Å; M195-V323 WeakPolarHBondContact CA-O 3.43Å; M195-V323 VanDerWaalsContact CE-C 3.41Å; K196-V323 PolarHBondContact N-O 2.78Å; K196-V323 PolarHBondContact O-N 3.43Å; W306-V323 CarbonylContact O-C 3.59Å; W306-V323 VanDerWaalsContact O-CA 3.27Å; W306-V323 WeakPolarHBondContact O-CA 3.39Å; Q308-V323 HydrophobicContact CB-CG1 4.08Å; L320-V323 HydrophobicContact CB-CG2 3.83Å
324	A	98.3	Very high	93.8	Very high	16 Å²	16	56.4 Å²	56.4	13%	0.132	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	137.1	176.9	0	0	0	0	0	112.2	M195 W306 D307	M195-A324 HydrophobicContact CE-CB 4.43Å; M195-A324 WeakPolarHBondContact SD-CA 3.49Å; M195-A324 HydrophobicContact SD-CB 3.92Å; W306-A324 PolarHBondContact O-N 3.44Å; D307-A324 HydrophobicContact CB-CB 4.18Å
325	V	97.2	Very high	93.6	Very high	24 Å²	24	57.2 Å²	57.2	15%	0.145	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-87.6	128.5	170	179.7	0	0	0	0	108.2	F110 L113 D194 K196 K327	F110-V325 HydrophobicContact CD1-CB 4.39Å; F110-V325 HydrophobicContact CD1-CG1 4.21Å; F110-V325 HydrophobicContact CE1-CB 4.38Å; F110-V325 HydrophobicContact CE1-CG1 4.09Å; L113-V325 HydrophobicContact CD2-CG1 4.46Å; L113-V325 HydrophobicContact CD2-CG2 3.82Å; D194-V325 PolarHBondContact O-N 2.94Å; K196-V325 HydrophobicContact CB-CG2 4.2Å; K196-V325 HydrophobicContact CG-CG2 4.35Å; V325-K327 PolarHBondContact O-N 3.06Å
326	P	93.4	Very high	93.5	Very high	93 Å²	93	53.7 Å²	53.7	60%	0.604	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-54.6	132.1	175.7	-27.6	35.7	0	0	0	111.4
327	K	92.6	Very high	93.3	Very high	54 Å²	54	54.6 Å²	54.6	24%	0.235	28%	0.283	C	S	.	.			trans	-152	148.7	-177.7	62.1	-175.1	176.5	-81.1	0	111	F110 D194 V325 H329 I332	F110-K327 HydrophobicContact CE1-CB 4.42Å; F110-K327 HydrophobicContact CZ-CB 3.99Å; F110-K327 HydrophobicContact CZ-CD 4.06Å; D194-K327 HydrophobicContact CB-CD 3.93Å; D194-K327 WeakPolarHBondContact OD2-CE 3.26Å; D194-K327 IonicContact OD2-NZ 2.66Å; D194-K327 PolarHBondContact OD2-NZ 2.85Å; V325-K327 PolarHBondContact O-N 3.06Å; K327-H329 VanDerWaalsContact CE-NE2 3.34Å; K327-H329 WeakPolarHBondContact CE-NE2 3.46Å; K327-I332 HydrophobicContact CD-CG2 4.5Å
328	D	92.1	Very high	93	Very high	102 Å²	102	57.6 Å²	57.6	55%	0.545	30%	0.299	S	S	.	.			trans	-85.1	111.6	165.1	-178.5	-34	0	0	0	108.7	Q330 A331 I332	D328-Q330 VanDerWaalsContact C-N 3.29Å; D328-Q330 PolarHBondContact O-N 3.33Å; D328-Q330 WeakPolarHBondContact OD1-CA 3.38Å; D328-Q330 WeakPolarHBondContact OD1-CB 3.44Å; D328-Q330 PolarHBondContact OD1-N 2.77Å; D328-A331 HydrophobicContact CB-CB 3.87Å; D328-A331 PolarHBondContact O-N 3.18Å; D328-A331 PolarHBondContact OD1-N 2.96Å; D328-I332 WeakPolarHBondContact O-CB 3.19Å; D328-I332 VanDerWaalsContact O-CG2 3.26Å; D328-I332 WeakPolarHBondContact O-CG2 3.38Å; D328-I332 PolarHBondContact O-N 3.42Å
329	H	85.4	Confident	92.7	Very high	90 Å²	90	54.8 Å²	54.8	42%	0.417	29%	0.29	S	S	.	.	H	α-helix	trans	-60.7	-36.2	-178.9	-71.1	100.3	0	0	0	112.9	K327 R333	K327-H329 VanDerWaalsContact CE-NE2 3.34Å; K327-H329 WeakPolarHBondContact CE-NE2 3.46Å; H329-R333 VanDerWaalsContact CD2-CZ 3.42Å; H329-R333 PolarHBondContact CD2-NH2 3.02Å; H329-R333 VanDerWaalsContact CD2-NH2 3.33Å; H329-R333 WeakPolarHBondContact O-CB 3.43Å; H329-R333 WeakPolarHBondContact O-CD 3.25Å; H329-R333 WeakPolarHBondContact O-CG 3.38Å; H329-R333 PolarHBondContact O-N 3.31Å
330	Q	85.3	Confident	92.3	Very high	150 Å²	150	55.3 Å²	55.3	70%	0.701	30%	0.296	S	S	*	.	H	α-helix	trans	-73.2	-41.5	-179.8	-173.5	173	5.6	0	0	110.6	D328 N334	D328-Q330 VanDerWaalsContact C-N 3.29Å; D328-Q330 PolarHBondContact O-N 3.33Å; D328-Q330 WeakPolarHBondContact OD1-CA 3.38Å; D328-Q330 WeakPolarHBondContact OD1-CB 3.44Å; D328-Q330 PolarHBondContact OD1-N 2.77Å; Q330-N334 PolarHBondContact O-ND2 3.34Å
331	A	89.6	Confident	91.8	Very high	54 Å²	54	58.5 Å²	58.5	45%	0.446	31%	0.313	S	S	.	.	H	α-helix	trans	-70.6	-35.8	-179.1	0	0	0	0	0	113.4	K106 D328	K106-A331 WeakPolarHBondContact CD-O 3.35Å; K106-A331 PolarHBondContact NZ-O 3.08Å; D328-A331 HydrophobicContact CB-CB 3.87Å; D328-A331 PolarHBondContact O-N 3.18Å; D328-A331 PolarHBondContact OD1-N 2.96Å
332	I	90	Very high	91.3	Very high	21 Å²	21	62.9 Å²	62.9	11%	0.108	34%	0.337	C	S	.	.	H	α-helix	trans	-84.5	-28.1	-175.6	-159.1	70.5	0	0	0	113.3	K106 Y107 V109 F110 K327 D328	K106-I332 HydrophobicContact CB-CD1 3.74Å; K106-I332 HydrophobicContact CB-CG1 4.36Å; Y107-I332 HydrophobicContact CD2-CG1 4.03Å; Y107-I332 HydrophobicContact CE2-CB 4.45Å; Y107-I332 HydrophobicContact CE2-CG1 3.82Å; Y107-I332 HydrophobicContact CE2-CG2 4.03Å; V109-I332 HydrophobicContact CG2-CD1 3.99Å; F110-I332 HydrophobicContact CE2-CD1 3.96Å; F110-I332 HydrophobicContact CE2-CG1 3.78Å; F110-I332 HydrophobicContact CZ-CD1 4.09Å; F110-I332 HydrophobicContact CZ-CG1 4.03Å; K327-I332 HydrophobicContact CD-CG2 4.5Å; D328-I332 WeakPolarHBondContact O-CB 3.19Å; D328-I332 VanDerWaalsContact O-CG2 3.26Å; D328-I332 WeakPolarHBondContact O-CG2 3.38Å; D328-I332 PolarHBondContact O-N 3.42Å
333	R	87.3	Confident	90.7	Very high	65 Å²	65	68.2 Å²	68.2	25%	0.245	37%	0.365	C	S	.	.	H	α-helix	trans	-86.9	-17.4	-176.4	-69.4	173.5	174.1	167.8	-1.8	114.1	Y107 W162 H329	Y107-R333 HydrophobicContact CE2-CG 4.42Å; W162-R333 HydrophobicContact CB-CB 4.07Å; W162-R333 HydrophobicContact CB-CG 4.02Å; W162-R333 HydrophobicContact CG-CB 4.18Å; W162-R333 HydrophobicContact CG-CG 4.04Å; H329-R333 VanDerWaalsContact CD2-CZ 3.42Å; H329-R333 PolarHBondContact CD2-NH2 3.02Å; H329-R333 VanDerWaalsContact CD2-NH2 3.33Å; H329-R333 WeakPolarHBondContact O-CB 3.43Å; H329-R333 WeakPolarHBondContact O-CD 3.25Å; H329-R333 WeakPolarHBondContact O-CG 3.38Å; H329-R333 PolarHBondContact O-N 3.31Å
334	N	78.5	Confident	90	Very high	145 Å²	145	74 Å²	74	78%	0.775	40%	0.396	S	S	*	.			trans	-112.4	0	-174.7	-61.8	-64.9	0	0	0	112.9	K106 Q330	K106-N334 VanDerWaalsContact CE-O 3.29Å; K106-N334 WeakPolarHBondContact CE-O 3.47Å; K106-N334 PolarHBondContact NZ-O 2.73Å; Q330-N334 PolarHBondContact O-ND2 3.34Å

Retrieved 334 of 334 residues in 76.9 ms (Link to these results)

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