A0A096NUQ6_PAPAN Loading...

alpha-1,2-Mannosidase

Involved in the endoplasmic reticulum-associated degradation (ERAD) pathway that targets misfolded glycoproteins for degradation in an N-glycan-dependent manner. May initiate ERAD by promoting the first mannose trimming step of ERAD substrates, from Man9GlcNAc2 to Man8GlcNAc2. Seems to recognize and bind to exposed hydrophobic regions in target proteins.

AlphaFold DB (A0A2K5WEL8), UniProt , Accession A0A096NUQ6, Species PAPAN (Papio anubis, Olive baboon), Gene EDEM2, Length 578 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.6	Very low	37.7	Very low	244 Å²	244	161 Å²	161	100%	1.202	86%	0.856	S	S	*	*				0	103	0	-74.2	178.7	165.7	0	0	108.6
2	P	51.4	Low	37.3	Very low	137 Å²	137	161.8 Å²	161.8	89%	0.89	86%	0.859	S	S	*	*			trans	-100	172	169.2	34.2	-21.9	0	0	0	111.8
3	F	36.3	Very low	37.2	Very low	195 Å²	195	158.6 Å²	158.6	86%	0.855	86%	0.855	S	S	*	*			trans	-116	166.9	-158.4	-139	-93.9	0	0	0	110.1
4	R	36	Very low	36.9	Very low	221 Å²	221	153.6 Å²	153.6	83%	0.834	85%	0.846	S	S	*	*			trans	90.3	145.2	164	-57.8	-179.2	174.9	-159.4	-2.1	115.7
5	L	31.7	Very low	36.7	Very low	141 Å²	141	154.7 Å²	154.7	74%	0.738	85%	0.849	S	S	*	*			cis	-161.6	151	18	-154.1	81.4	0	0	0	109.7
6	L	43	Very low	36.3	Very low	170 Å²	170	155.2 Å²	155.2	89%	0.89	85%	0.849	S	S	*	*			trans	-70.7	138.6	165.5	-91	123.6	0	0	0	111.8
7	I	33.8	Very low	36.1	Very low	140 Å²	140	152.8 Å²	152.8	72%	0.718	84%	0.843	S	S	*	*			trans	-144.1	129.2	152.2	-60.3	-176.6	0	0	0	109.9	L9	I7-L9 HydrophobicContact CG2-CD1 3.81Å
8	S	40.3	Very low	35.9	Very low	112 Å²	112	152.8 Å²	152.8	78%	0.783	84%	0.841	S	S	*	*			trans	-89.5	126.9	169.4	48.8	0	0	0	0	111.8
9	L	34	Very low	35.7	Very low	165 Å²	165	155.3 Å²	155.3	86%	0.864	85%	0.845	S	S	*	*			trans	-144.7	135.8	159.9	-98.6	94.5	0	0	0	104.9	I7	I7-L9 HydrophobicContact CG2-CD1 3.81Å
10	G	30.4	Very low	36	Very low	69 Å²	69	155.5 Å²	155.5	71%	0.711	84%	0.84	S	S	*	*			cis	135.4	123	31.1	0	0	0	0	0	105.3	L12	G10-L12 PolarHBondContact O-N 3.37Å
11	L	41.4	Very low	36.3	Very low	177 Å²	177	150.7 Å²	150.7	93%	0.927	83%	0.827	S	S	*	*			trans	-50.5	127.7	178.7	-129.2	83.6	0	0	0	111.2
12	L	33	Very low	36.3	Very low	170 Å²	170	142.8 Å²	142.8	89%	0.89	80%	0.8	S	S	*	*			trans	-139.3	107	154.4	-115.4	107.6	0	0	0	109.9	G10 A14	G10-L12 PolarHBondContact O-N 3.37Å; L12-A14 PolarHBondContact O-N 3.36Å
13	C	36	Very low	35.7	Very low	121 Å²	121	140.6 Å²	140.6	82%	0.818	79%	0.786	S	S	*	*			trans	-67.5	105.1	166.4	-147.4	0	0	0	0	107	L15	C13-L15 PolarHBondContact O-N 2.9Å
14	A	31.9	Very low	36.2	Very low	88 Å²	88	132 Å²	132	73%	0.727	75%	0.752	S	S	*	*			trans	-85.9	104.5	172.8	0	0	0	0	0	108.5	L12 L16	L12-A14 PolarHBondContact O-N 3.36Å; A14-L16 PolarHBondContact O-N 3.24Å
15	L	35	Very low	36.7	Very low	171 Å²	171	127.6 Å²	127.6	90%	0.895	75%	0.752	S	S	*	*			trans	-57.4	111.2	162.5	-74.1	154.3	0	0	0	108.2	C13	C13-L15 PolarHBondContact O-N 2.9Å
16	L	29.4	Very low	37.4	Very low	162 Å²	162	126.8 Å²	126.8	85%	0.848	75%	0.749	S	S	*	*			trans	-71.9	128.4	165.3	-80.3	152.2	0	0	0	108	A14 L18	A14-L16 PolarHBondContact O-N 3.24Å; L16-L18 PolarHBondContact O-N 2.98Å
17	P	32.8	Very low	37.8	Very low	115 Å²	115	121.1 Å²	121.1	75%	0.747	73%	0.731	S	S	*	*			trans	-69.6	129.4	169.1	3.8	10.1	0	0	0	108.9	H19	P17-H19 PolarHBondContact O-N 2.98Å; P17-H19 VanDerWaalsContact O-N 3.13Å
18	L	32.6	Very low	39	Very low	152 Å²	152	117.3 Å²	117.3	80%	0.796	72%	0.717	S	S	*	*			trans	-54.4	111.1	163.3	-78.2	140.9	0	0	0	108.8	L16 H20	L16-L18 PolarHBondContact O-N 2.98Å; L18-H20 PolarHBondContact O-N 3.12Å; L18-H20 PolarHBondContact O-ND1 3.41Å; L18-H20 VanDerWaalsContact O-ND1 3.12Å
19	H	32.6	Very low	40.4	Very low	200 Å²	200	115 Å²	115	93%	0.926	70%	0.704	S	S	*	*			trans	-62.3	109	172.1	-103.6	-48.4	0	0	0	109.2	P17	P17-H19 PolarHBondContact O-N 2.98Å; P17-H19 VanDerWaalsContact O-N 3.13Å
20	H	42.6	Very low	42.8	Very low	160 Å²	160	107.6 Å²	107.6	74%	0.741	67%	0.666	S	S	*	*			trans	-83.8	135.1	168.7	-78.1	57	0	0	0	109.9	L18	L18-H20 PolarHBondContact O-N 3.12Å; L18-H20 PolarHBondContact O-ND1 3.41Å; L18-H20 VanDerWaalsContact O-ND1 3.12Å
21	G	41.2	Very low	45.7	Very low	55 Å²	55	108.6 Å²	108.6	57%	0.567	66%	0.656	S	S	*	*			trans	74.5	120.5	147.8	0	0	0	0	0	117.4
22	A	35.9	Very low	48.2	Very low	77 Å²	77	102.1 Å²	102.1	64%	0.636	62%	0.624	S	S	*	*			trans	-72.8	147.2	154.1	0	0	0	0	0	108.9	E391	A22-E391 VanDerWaalsContact O-OE1 3.13Å
23	P	39.8	Very low	51.2	Low	92 Å²	92	96.3 Å²	96.3	60%	0.597	60%	0.601	S	S	*	*			trans	-97.8	152.5	-172.4	-3.1	24.9	0	0	0	114	G27	P23-G27 VanDerWaalsContact CB-CA 3.42Å
24	G	45.8	Very low	54.1	Low	13 Å²	13	95.1 Å²	95.1	13%	0.134	58%	0.583	C	S	.	*			trans	-66.3	-177.5	167.6	0	0	0	0	0	114.4	D26 G27	G24-D26 PolarHBondContact O-N 3.4Å; G24-G27 PolarHBondContact O-N 3.46Å
25	P	46.7	Very low	57.3	Low	129 Å²	129	91.9 Å²	91.9	84%	0.838	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-11.8	-170.7	21.8	-30.6	0	0	0	115.4
26	D	47.1	Very low	60.3	Low	125 Å²	125	87 Å²	87	67%	0.668	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.5	1.5	171.5	69	-12	0	0	0	114.2	G24 S28	G24-D26 PolarHBondContact O-N 3.4Å; D26-S28 VanDerWaalsContact CG-OG 3.26Å; D26-S28 PolarHBondContact OD1-N 3.3Å; D26-S28 PolarHBondContact OD1-OG 2.81Å; D26-S28 PolarHBondContact OD2-OG 3.47Å
27	G	51.3	Low	63.6	Low	51 Å²	51	84 Å²	84	53%	0.526	50%	0.503	S	S	.	.	S	Bend	trans	95.4	-7.2	-174.9	0	0	0	0	0	115.9	P23 G24	P23-G27 VanDerWaalsContact CB-CA 3.42Å; G24-G27 PolarHBondContact O-N 3.46Å
28	S	58.8	Low	66.7	Low	59 Å²	59	81.1 Å²	81.1	41%	0.413	48%	0.477	S	S	.	.			trans	-108.3	149.6	-171.5	75.6	0	0	0	0	113.3	D26	D26-S28 VanDerWaalsContact CG-OG 3.26Å; D26-S28 PolarHBondContact OD1-N 3.3Å; D26-S28 PolarHBondContact OD1-OG 2.81Å; D26-S28 PolarHBondContact OD2-OG 3.47Å
29	A	69.7	Low	69.9	Low	63 Å²	63	73.9 Å²	73.9	52%	0.521	44%	0.439	S	S	.	.			trans	-66	145.2	173	0	0	0	0	0	109.8	D31	A29-D31 PolarHBondContact O-N 3.44Å
30	P	84.5	Confident	73	Confident	10 Å²	10	67.2 Å²	67.2	7%	0.065	41%	0.408	C	S	.	.			trans	-54.4	133.4	178.1	-22.8	32.2	0	0	0	111.4	P32 Y35 L390 E391 R394	P30-P32 WeakPolarHBondContact O-CD 3.28Å; P30-Y35 HydrophobicContact CB-CD2 4.07Å; P30-Y35 HydrophobicContact CB-CE2 3.95Å; P30-L390 HydrophobicContact CB-CB 4.45Å; P30-L390 HydrophobicContact CG-CB 4.13Å; P30-E391 HydrophobicContact CG-CG 4.14Å; P30-R394 HydrophobicContact CB-CB 4.23Å; P30-R394 HydrophobicContact CG-CB 4.13Å
31	D	91.9	Very high	75.7	Confident	91 Å²	91	62.2 Å²	62.2	49%	0.487	39%	0.394	S	S	.	.			trans	-71.8	108.6	173.3	174.7	9.3	0	0	0	109.9	A29 A33 H34 Y35	A29-D31 PolarHBondContact O-N 3.44Å; D31-A33 VanDerWaalsContact C-N 3.26Å; D31-A33 PolarHBondContact O-N 2.88Å; D31-A33 PolarHBondContact OD1-N 3.4Å; D31-H34 HydrophobicContact CB-CB 3.96Å; D31-H34 PolarHBondContact O-N 3.2Å; D31-H34 WeakPolarHBondContact OD2-CB 3.36Å; D31-Y35 WeakPolarHBondContact O-CD2 3.1Å; D31-Y35 PolarHBondContact O-N 3.03Å
32	P	94.3	Very high	78.4	Confident	40 Å²	40	59.6 Å²	59.6	26%	0.26	37%	0.367	S	S	.	.	H	α-helix	trans	-62.5	-34.1	-175.9	-22	35.7	0	0	0	112.4	P30 H34 Y35 R36 L390 F441	P30-P32 WeakPolarHBondContact O-CD 3.28Å; P32-H34 PolarHBondContact O-N 2.91Å; P32-Y35 PolarHBondContact O-N 3.39Å; P32-R36 WeakPolarHBondContact O-CB 3.01Å; P32-R36 PolarHBondContact O-N 3.01Å; P32-L390 HydrophobicContact CG-CD1 4.3Å; P32-F441 HydrophobicContact CB-CB 4.39Å; P32-F441 HydrophobicContact CB-CD1 4.2Å; P32-F441 WeakPolarHBondContact CB-O 3.4Å
33	A	96.1	Very high	81.4	Confident	49 Å²	49	55.9 Å²	55.9	41%	0.405	34%	0.337	S	S	.	.	H	α-helix	trans	-66.2	-42.4	-179.7	0	0	0	0	0	111.2	D31 R36 E37	D31-A33 VanDerWaalsContact C-N 3.26Å; D31-A33 PolarHBondContact O-N 2.88Å; D31-A33 PolarHBondContact OD1-N 3.4Å; A33-R36 PolarHBondContact O-N 2.9Å; A33-E37 PolarHBondContact O-N 2.97Å
34	H	97.2	Very high	84.2	Confident	95 Å²	95	53.6 Å²	53.6	44%	0.44	32%	0.316	S	S	.	.	H	α-helix	trans	-60.1	-49.6	175.8	175.6	68.9	0	0	0	112.2	D31 P32 E37 R38	D31-H34 HydrophobicContact CB-CB 3.96Å; D31-H34 PolarHBondContact O-N 3.2Å; D31-H34 WeakPolarHBondContact OD2-CB 3.36Å; P32-H34 PolarHBondContact O-N 2.91Å; H34-E37 PolarHBondContact O-N 3.4Å; H34-R38 VanDerWaalsContact NE2-CD 3.31Å; H34-R38 WeakPolarHBondContact NE2-CD 3.47Å; H34-R38 PolarHBondContact O-N 3.32Å
35	Y	98.1	Very high	86.7	Confident	21 Å²	21	55.2 Å²	55.2	8%	0.082	32%	0.321	C	S	.	.	H	α-helix	trans	-71.7	-32.1	-179.2	-75.1	-81.3	0	0	0	112.7	P30 D31 P32 E37 R38 V39 R394 V397 E398 F441	P30-Y35 HydrophobicContact CB-CD2 4.07Å; P30-Y35 HydrophobicContact CB-CE2 3.95Å; D31-Y35 WeakPolarHBondContact O-CD2 3.1Å; D31-Y35 PolarHBondContact O-N 3.03Å; P32-Y35 PolarHBondContact O-N 3.39Å; Y35-E37 VanDerWaalsContact C-N 3.34Å; Y35-E37 PolarHBondContact O-N 3.48Å; Y35-R38 PolarHBondContact O-N 2.82Å; Y35-V39 VanDerWaalsContact O-CG2 3.24Å; Y35-V39 WeakPolarHBondContact O-CG2 3.24Å; Y35-V39 PolarHBondContact O-N 2.76Å; Y35-R394 HydrophobicContact CD1-CB 4.39Å; Y35-R394 HydrophobicContact CE1-CB 3.88Å; Y35-R394 HydrophobicContact CE1-CG 3.66Å; Y35-R394 HydrophobicContact CE2-CB 4.1Å; Y35-R394 HydrophobicContact CE2-CG 4.1Å; Y35-R394 VanDerWaalsContact OH-CD 3.27Å; Y35-R394 WeakPolarHBondContact OH-CD 2.97Å; Y35-R394 WeakPolarHBondContact OH-CG 3.38Å; Y35-V397 HydrophobicContact CD1-CB 4.13Å; Y35-V397 HydrophobicContact CD1-CG1 4.06Å; Y35-V397 HydrophobicContact CD1-CG2 4.39Å; Y35-V397 HydrophobicContact CE1-CG1 4.45Å; Y35-E398 HydrophobicContact CE1-CG 4.27Å; Y35-E398 PolarHBondContact OH-OE1 2.93Å; Y35-F441 HydrophobicContact CD1-CZ 4.42Å; Y35-F441 HydrophobicContact CD2-CE1 4.48Å; Y35-F441 HydrophobicContact CG-CE1 4.24Å; Y35-F441 HydrophobicContact CG-CE2 4.29Å; Y35-F441 AromaticContact CG-CZ 3.93Å; Y35-F441 HydrophobicContact CG-CZ 3.93Å
36	R	98.1	Very high	89.2	Confident	67 Å²	67	49.1 Å²	49.1	25%	0.253	28%	0.281	S	S	.	.	H	α-helix	trans	-57.7	-45.7	172.6	-173.3	-177.9	68.7	-169.1	-3.3	111.9	P32 A33 V39 K40 Y438 F441 D442	P32-R36 WeakPolarHBondContact O-CB 3.01Å; P32-R36 PolarHBondContact O-N 3.01Å; A33-R36 PolarHBondContact O-N 2.9Å; R36-V39 PolarHBondContact O-N 2.91Å; R36-K40 WeakPolarHBondContact O-CB 3.13Å; R36-K40 PolarHBondContact O-N 3.1Å; R36-Y438 HydrophobicContact CG-CD2 3.76Å; R36-Y438 HydrophobicContact CG-CE2 3.39Å; R36-Y438 HydrophobicContact CG-CG 4.49Å; R36-F441 HydrophobicContact CB-CB 3.92Å; R36-D442 HydrophobicContact CG-CB 4.38Å; R36-D442 IonicContact NH1-OD1 2.79Å; R36-D442 PolarHBondContact NH1-OD1 3.05Å
37	E	98.4	Very high	91.7	Very high	99 Å²	99	43.2 Å²	43.2	46%	0.463	25%	0.249	S	C	.	.	H	α-helix	trans	-68.5	-34.8	177.5	-63.7	-50.8	132.5	0	0	112.3	A33 H34 Y35 K40 A41	A33-E37 PolarHBondContact O-N 2.97Å; H34-E37 PolarHBondContact O-N 3.4Å; Y35-E37 VanDerWaalsContact C-N 3.34Å; Y35-E37 PolarHBondContact O-N 3.48Å; E37-K40 PolarHBondContact O-N 3.21Å; E37-A41 PolarHBondContact O-N 3.01Å
38	R	98.5	Very high	93.9	Very high	55 Å²	55	44 Å²	44	21%	0.208	24%	0.241	C	C	.	.	H	α-helix	trans	-63.1	-46.3	172.6	-74.5	178.7	65.9	-176.3	1.8	111.8	H34 Y35 K40 A41 M42 V397 E398 E401	H34-R38 VanDerWaalsContact NE2-CD 3.31Å; H34-R38 WeakPolarHBondContact NE2-CD 3.47Å; H34-R38 PolarHBondContact O-N 3.32Å; Y35-R38 PolarHBondContact O-N 2.82Å; R38-K40 VanDerWaalsContact C-N 3.3Å; R38-K40 PolarHBondContact O-N 2.84Å; R38-A41 CarbonylContact O-C 3.46Å; R38-A41 WeakPolarHBondContact O-CA 3.49Å; R38-A41 WeakPolarHBondContact O-CB 3.28Å; R38-A41 PolarHBondContact O-N 3.08Å; R38-A41 VanDerWaalsContact O-N 3.07Å; R38-M42 WeakPolarHBondContact O-CG 3.01Å; R38-M42 PolarHBondContact O-N 3.28Å; R38-V397 HydrophobicContact CB-CG1 4.17Å; R38-E398 IonicContact NH1-OE1 3.72Å; R38-E401 IonicContact CZ-OE2 2.75Å; R38-E401 VanDerWaalsContact CZ-OE2 3.28Å; R38-E401 IonicContact NE-OE2 3.32Å; R38-E401 PolarHBondContact NE-OE2 3.45Å; R38-E401 VanDerWaalsContact NE-OE2 3.12Å; R38-E401 IonicContact NH2-OE2 3.08Å; R38-E401 PolarHBondContact NH2-OE2 3.46Å
39	V	98.8	Very high	95.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.2	-41	176.7	175.4	0	0	0	0	111	Y35 R36 A41 M42 F43 V397 V434 L437 Y438 F441	Y35-V39 VanDerWaalsContact O-CG2 3.24Å; Y35-V39 WeakPolarHBondContact O-CG2 3.24Å; Y35-V39 PolarHBondContact O-N 2.76Å; R36-V39 PolarHBondContact O-N 2.91Å; V39-A41 VanDerWaalsContact C-N 3.33Å; V39-A41 PolarHBondContact O-N 3.45Å; V39-M42 WeakPolarHBondContact O-CB 3.24Å; V39-M42 PolarHBondContact O-N 3.32Å; V39-F43 PolarHBondContact O-N 2.85Å; V39-V397 HydrophobicContact CG2-CG2 3.5Å; V39-V434 HydrophobicContact CG1-CG1 3.77Å; V39-V434 VanDerWaalsContact CG1-O 3.31Å; V39-V434 WeakPolarHBondContact CG1-O 3.42Å; V39-L437 HydrophobicContact CB-CB 4.48Å; V39-L437 HydrophobicContact CG1-CB 3.82Å; V39-L437 HydrophobicContact CG2-CB 3.75Å; V39-L437 HydrophobicContact CG2-CD1 4.39Å; V39-Y438 HydrophobicContact CG1-CD2 4.48Å; V39-F441 HydrophobicContact CG2-CD2 4.12Å; V39-F441 HydrophobicContact CG2-CE2 4.28Å
40	K	98.6	Very high	97.2	Very high	60 Å²	60	38.7 Å²	38.7	26%	0.261	20%	0.201	S	C	.	.	H	α-helix	trans	-59.9	-42.6	172.7	-172.3	171	-179.6	161.5	0	111.7	R36 E37 R38 F43 Y44 L88 Y438	R36-K40 WeakPolarHBondContact O-CB 3.13Å; R36-K40 PolarHBondContact O-N 3.1Å; E37-K40 PolarHBondContact O-N 3.21Å; R38-K40 VanDerWaalsContact C-N 3.3Å; R38-K40 PolarHBondContact O-N 2.84Å; K40-F43 WeakPolarHBondContact O-CB 3.33Å; K40-F43 PolarHBondContact O-N 3.2Å; K40-Y44 HydrophobicContact CD-CE2 4.47Å; K40-Y44 HydrophobicContact CG-CD2 4.01Å; K40-Y44 HydrophobicContact CG-CE2 3.75Å; K40-Y44 WeakPolarHBondContact O-CD2 3.46Å; K40-Y44 PolarHBondContact O-N 2.82Å; K40-L88 HydrophobicContact CG-CD2 4.47Å; K40-L88 PolarHBondContact NZ-O 3.01Å; K40-L88 VanDerWaalsContact NZ-O 3.16Å; K40-Y438 HydrophobicContact CB-CE2 4.31Å
41	A	98.8	Very high	97.8	Very high	55 Å²	55	40.4 Å²	40.4	46%	0.455	21%	0.209	S	C	.	.	H	α-helix	trans	-66.1	-35.7	175	0	0	0	0	0	112.8	E37 R38 V39 H45	E37-A41 PolarHBondContact O-N 3.01Å; R38-A41 CarbonylContact O-C 3.46Å; R38-A41 WeakPolarHBondContact O-CA 3.49Å; R38-A41 WeakPolarHBondContact O-CB 3.28Å; R38-A41 PolarHBondContact O-N 3.08Å; R38-A41 VanDerWaalsContact O-N 3.07Å; V39-A41 VanDerWaalsContact C-N 3.33Å; V39-A41 PolarHBondContact O-N 3.45Å; A41-H45 WeakPolarHBondContact O-CB 3.43Å; A41-H45 PolarHBondContact O-N 3.34Å
42	M	98.8	Very high	98.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.4	-44.9	172.4	-65.3	169.7	64.9	0	0	111	R38 V39 H45 A46 V397 I400 E401 F410 F429	R38-M42 WeakPolarHBondContact O-CG 3.01Å; R38-M42 PolarHBondContact O-N 3.28Å; V39-M42 WeakPolarHBondContact O-CB 3.24Å; V39-M42 PolarHBondContact O-N 3.32Å; M42-H45 PolarHBondContact O-N 2.93Å; M42-A46 PolarHBondContact O-N 2.84Å; M42-A46 VanDerWaalsContact O-N 3.16Å; M42-V397 HydrophobicContact SD-CB 4.36Å; M42-V397 HydrophobicContact SD-CG1 3.83Å; M42-V397 HydrophobicContact SD-CG2 4.21Å; M42-I400 HydrophobicContact CE-CB 4.12Å; M42-I400 HydrophobicContact CE-CG2 3.59Å; M42-E401 HydrophobicContact CE-CG 4.27Å; M42-E401 HydrophobicContact CG-CG 3.86Å; M42-E401 HydrophobicContact SD-CG 3.88Å; M42-F410 HydrophobicContact CB-CE2 4.14Å; M42-F410 HydrophobicContact CB-CZ 3.81Å; M42-F410 HydrophobicContact CE-CE1 4.12Å; M42-F410 HydrophobicContact CE-CZ 4.22Å; M42-F410 HydrophobicContact CG-CE1 4.47Å; M42-F410 HydrophobicContact CG-CZ 3.82Å; M42-F410 WeakPolarHBondContact O-CE2 3.4Å; M42-F429 HydrophobicContact CE-CZ 4.1Å
43	F	98.8	Very high	98.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-54.4	-56.4	175.9	-173.4	-91.9	0	0	0	111.1	V39 K40 H45 A46 Y47 A81 T84 L85 L88 L430 V434	V39-F43 PolarHBondContact O-N 2.85Å; K40-F43 WeakPolarHBondContact O-CB 3.33Å; K40-F43 PolarHBondContact O-N 3.2Å; F43-H45 PolarHBondContact O-N 3.49Å; F43-A46 PolarHBondContact O-N 3.5Å; F43-Y47 HydrophobicContact CD1-CG 4.5Å; F43-Y47 HydrophobicContact CE1-CD1 4.25Å; F43-Y47 HydrophobicContact CE1-CD2 4.07Å; F43-Y47 AromaticContact CE1-CG 3.74Å; F43-Y47 HydrophobicContact CE1-CG 3.74Å; F43-Y47 HydrophobicContact CZ-CD2 4.01Å; F43-Y47 HydrophobicContact CZ-CG 4.15Å; F43-Y47 VanDerWaalsContact O-CB 3.23Å; F43-Y47 WeakPolarHBondContact O-CB 3.22Å; F43-Y47 PolarHBondContact O-N 3.12Å; F43-A81 HydrophobicContact CE2-CB 4.38Å; F43-A81 HydrophobicContact CZ-CB 4.15Å; F43-T84 HydrophobicContact CD2-CG2 3.73Å; F43-T84 HydrophobicContact CE2-CG2 3.36Å; F43-T84 HydrophobicContact CZ-CG2 4.21Å; F43-L85 HydrophobicContact CE1-CD2 3.55Å; F43-L85 HydrophobicContact CE1-CG 4.35Å; F43-L85 HydrophobicContact CZ-CD2 3.82Å; F43-L85 HydrophobicContact CZ-CG 4.14Å; F43-L88 HydrophobicContact CB-CD2 3.47Å; F43-L88 VanDerWaalsContact CB-CD2 3.47Å; F43-L88 HydrophobicContact CD1-CD2 3.7Å; F43-L88 HydrophobicContact CD2-CD2 3.76Å; F43-L88 HydrophobicContact CE1-CD2 4.4Å; F43-L88 HydrophobicContact CE2-CD2 4.44Å; F43-L88 HydrophobicContact CG-CD2 3.33Å; F43-L430 HydrophobicContact CD2-CD2 3.67Å; F43-L430 HydrophobicContact CE2-CB 4.07Å; F43-L430 HydrophobicContact CE2-CD2 3.86Å; F43-L430 HydrophobicContact CE2-CG 4.47Å; F43-L430 HydrophobicContact CG-CD2 4.24Å; F43-V434 HydrophobicContact CB-CG1 3.66Å; F43-V434 HydrophobicContact CD2-CB 4.44Å; F43-V434 HydrophobicContact CD2-CG1 3.74Å; F43-V434 HydrophobicContact CG-CG1 4.17Å
44	Y	98.8	Very high	98.3	Very high	43 Å²	43	41.9 Å²	41.9	17%	0.169	20%	0.203	C	C	.	.	H	α-helix	trans	-68	-34.4	-175.5	-74.5	-68.7	0	0	0	112.9	K40 A46 Y47 D48 N90	K40-Y44 HydrophobicContact CD-CE2 4.47Å; K40-Y44 HydrophobicContact CG-CD2 4.01Å; K40-Y44 HydrophobicContact CG-CE2 3.75Å; K40-Y44 WeakPolarHBondContact O-CD2 3.46Å; K40-Y44 PolarHBondContact O-N 2.82Å; Y44-A46 VanDerWaalsContact C-N 3.29Å; Y44-A46 PolarHBondContact O-N 3.36Å; Y44-Y47 PolarHBondContact O-N 3.27Å; Y44-D48 WeakPolarHBondContact O-CB 3.47Å; Y44-D48 PolarHBondContact O-N 3.11Å; Y44-N90 WeakPolarHBondContact CE1-ND2 3.49Å; Y44-N90 WeakPolarHBondContact OH-CB 3.5Å; Y44-N90 PolarHBondContact OH-ND2 3.08Å
45	H	98.8	Very high	98.2	Very high	48 Å²	48	41 Å²	41	22%	0.222	20%	0.198	C	C	.	.	H	α-helix	trans	-57	-44.9	172.5	-177.7	73.2	0	0	0	111.8	A41 M42 F43 S49 V406 E407 G409 F410	A41-H45 WeakPolarHBondContact O-CB 3.43Å; A41-H45 PolarHBondContact O-N 3.34Å; M42-H45 PolarHBondContact O-N 2.93Å; F43-H45 PolarHBondContact O-N 3.49Å; H45-S49 VanDerWaalsContact O-CB 3.23Å; H45-S49 WeakPolarHBondContact O-CB 3.46Å; H45-S49 PolarHBondContact O-N 2.82Å; H45-S49 PolarHBondContact O-OG 2.8Å; H45-V406 PolarHBondContact CE1-O 3.18Å; H45-V406 PolarHBondContact NE2-O 3.46Å; H45-E407 PolarHBondContact CE1-O 2.86Å; H45-E407 VanDerWaalsContact CE1-O 3.23Å; H45-G409 PolarHBondContact NE2-N 2.8Å; H45-G409 PolarHBondContact NE2-O 2.82Å; H45-F410 HydrophobicContact CB-CE2 4.22Å; H45-F410 AromaticContact CD2-CE2 3.58Å
46	A	98.6	Very high	98	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-74	-48.3	177.6	0	0	0	0	0	113.1	M42 F43 Y44 S49 Y50 F410 M425 F429 L430	M42-A46 PolarHBondContact O-N 2.84Å; M42-A46 VanDerWaalsContact O-N 3.16Å; F43-A46 PolarHBondContact O-N 3.5Å; Y44-A46 VanDerWaalsContact C-N 3.29Å; Y44-A46 PolarHBondContact O-N 3.36Å; A46-S49 PolarHBondContact O-N 3.3Å; A46-Y50 PolarHBondContact O-N 3.33Å; A46-F410 HydrophobicContact CB-CD2 4Å; A46-F410 HydrophobicContact CB-CE2 4.34Å; A46-M425 HydrophobicContact CB-CE 3.83Å; A46-M425 HydrophobicContact CB-SD 3.74Å; A46-F429 HydrophobicContact CB-CD1 4.29Å; A46-F429 HydrophobicContact CB-CE1 4.06Å; A46-L430 HydrophobicContact CB-CD2 3.6Å; A46-L430 HydrophobicContact CB-CG 4.35Å
47	Y	98.7	Very high	97.8	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-66	-46.6	-175.5	-179.2	-97.5	0	0	0	112.1	F43 Y44 S49 Y50 L51 L78 A81 L85 E93 V97 L430	F43-Y47 HydrophobicContact CD1-CG 4.5Å; F43-Y47 HydrophobicContact CE1-CD1 4.25Å; F43-Y47 HydrophobicContact CE1-CD2 4.07Å; F43-Y47 AromaticContact CE1-CG 3.74Å; F43-Y47 HydrophobicContact CE1-CG 3.74Å; F43-Y47 HydrophobicContact CZ-CD2 4.01Å; F43-Y47 HydrophobicContact CZ-CG 4.15Å; F43-Y47 VanDerWaalsContact O-CB 3.23Å; F43-Y47 WeakPolarHBondContact O-CB 3.22Å; F43-Y47 PolarHBondContact O-N 3.12Å; Y44-Y47 PolarHBondContact O-N 3.27Å; Y47-S49 VanDerWaalsContact C-N 3.32Å; Y47-S49 PolarHBondContact O-N 3.5Å; Y47-Y50 WeakPolarHBondContact O-CB 3.48Å; Y47-Y50 PolarHBondContact O-N 3.12Å; Y47-Y50 VanDerWaalsContact O-N 3.16Å; Y47-L51 HydrophobicContact CD1-CD1 3.97Å; Y47-L51 HydrophobicContact CD1-CG 4.36Å; Y47-L51 HydrophobicContact CE1-CD1 3.35Å; Y47-L51 HydrophobicContact CE1-CG 3.95Å; Y47-L51 PolarHBondContact O-N 3Å; Y47-L78 HydrophobicContact CE2-CD1 4.14Å; Y47-L78 WeakPolarHBondContact OH-CD1 3.3Å; Y47-A81 HydrophobicContact CD2-CB 4.13Å; Y47-A81 HydrophobicContact CE2-CB 4.19Å; Y47-L85 HydrophobicContact CE1-CD2 4.18Å; Y47-L85 HydrophobicContact CE2-CD1 4.4Å; Y47-L85 HydrophobicContact CE2-CD2 4.42Å; Y47-E93 HydrophobicContact CE1-CG 3.82Å; Y47-E93 VanDerWaalsContact CE1-OE1 3.28Å; Y47-E93 WeakPolarHBondContact CE1-OE1 3.33Å; Y47-E93 WeakPolarHBondContact OH-CG 3.49Å; Y47-E93 PolarHBondContact OH-OE1 2.91Å; Y47-V97 WeakPolarHBondContact OH-CG2 3.14Å; Y47-L430 HydrophobicContact CD2-CD1 4.19Å
48	D	98.6	Very high	97.5	Very high	68 Å²	68	39.9 Å²	39.9	36%	0.364	20%	0.201	S	C	.	.	H	α-helix	trans	-66.4	-39	178.1	-60.8	-18.1	0	0	0	110.1	Y44 Y50 L51 E52	Y44-D48 WeakPolarHBondContact O-CB 3.47Å; Y44-D48 PolarHBondContact O-N 3.11Å; D48-Y50 VanDerWaalsContact C-N 3.3Å; D48-Y50 PolarHBondContact O-N 3Å; D48-L51 PolarHBondContact O-N 3.1Å; D48-E52 WeakPolarHBondContact O-CB 3.23Å; D48-E52 WeakPolarHBondContact O-CG 3.28Å; D48-E52 PolarHBondContact O-N 2.97Å
49	S	98.6	Very high	97.4	Very high	11 Å²	11	37.3 Å²	37.3	8%	0.077	19%	0.191	C	C	.	.	H	α-helix	trans	-60.9	-38.3	173.2	-64.5	0	0	0	0	112.3	H45 A46 Y47 N53 C408 G409	H45-S49 VanDerWaalsContact O-CB 3.23Å; H45-S49 WeakPolarHBondContact O-CB 3.46Å; H45-S49 PolarHBondContact O-N 2.82Å; H45-S49 PolarHBondContact O-OG 2.8Å; A46-S49 PolarHBondContact O-N 3.3Å; Y47-S49 VanDerWaalsContact C-N 3.32Å; Y47-S49 PolarHBondContact O-N 3.5Å; S49-N53 VanDerWaalsContact O-CB 3.29Å; S49-N53 WeakPolarHBondContact O-CB 3.18Å; S49-N53 PolarHBondContact O-N 2.79Å; S49-N53 PolarHBondContact O-ND2 2.88Å; S49-C408 VanDerWaalsContact CB-C 3.46Å; S49-C408 WeakPolarHBondContact OG-CA 3.46Å; S49-G409 PolarHBondContact OG-N 3.47Å
50	Y	98.3	Very high	97.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.9	-48.6	173.8	166.1	-99.3	0	0	0	111.1	A46 Y47 D48 E52 N53 A54 F55 F57 L60 T77 L78	A46-Y50 PolarHBondContact O-N 3.33Å; Y47-Y50 WeakPolarHBondContact O-CB 3.48Å; Y47-Y50 PolarHBondContact O-N 3.12Å; Y47-Y50 VanDerWaalsContact O-N 3.16Å; D48-Y50 VanDerWaalsContact C-N 3.3Å; D48-Y50 PolarHBondContact O-N 3Å; Y50-E52 VanDerWaalsContact C-N 3.3Å; Y50-E52 PolarHBondContact O-N 3.37Å; Y50-N53 PolarHBondContact O-N 3.02Å; Y50-A54 HydrophobicContact CD2-CB 3.61Å; Y50-A54 HydrophobicContact CE2-CB 3.94Å; Y50-A54 HydrophobicContact CG-CB 4.49Å; Y50-A54 CarbonylContact O-C 3.44Å; Y50-A54 WeakPolarHBondContact O-CA 3.35Å; Y50-A54 PolarHBondContact O-N 3.15Å; Y50-F55 HydrophobicContact CE1-CB 4.14Å; Y50-F55 HydrophobicContact CE1-CD2 4.31Å; Y50-F55 PolarHBondContact O-N 2.71Å; Y50-F57 VanDerWaalsContact CE2-O 3.26Å; Y50-F57 WeakPolarHBondContact CE2-O 3.15Å; Y50-F57 PolarHBondContact OH-O 3.15Å; Y50-L60 HydrophobicContact CD2-CB 4.28Å; Y50-T77 HydrophobicContact CD1-CG2 3.87Å; Y50-T77 HydrophobicContact CD2-CG2 3.87Å; Y50-T77 HydrophobicContact CE1-CG2 4.08Å; Y50-T77 HydrophobicContact CE2-CG2 4.11Å; Y50-T77 HydrophobicContact CG-CG2 3.77Å; Y50-L78 HydrophobicContact CE1-CB 4.26Å; Y50-L78 HydrophobicContact CE1-CD1 4.39Å
51	L	97.8	Very high	97.3	Very high	45 Å²	45	38.3 Å²	38.3	24%	0.236	19%	0.194	C	C	.	.	H	α-helix	trans	-60.5	-38.7	179.2	-70.4	-176.4	0	0	0	112.8	Y47 D48 F55 L78	Y47-L51 HydrophobicContact CD1-CD1 3.97Å; Y47-L51 HydrophobicContact CD1-CG 4.36Å; Y47-L51 HydrophobicContact CE1-CD1 3.35Å; Y47-L51 HydrophobicContact CE1-CG 3.95Å; Y47-L51 PolarHBondContact O-N 3Å; D48-L51 PolarHBondContact O-N 3.1Å; L51-F55 HydrophobicContact CD2-CB 4.4Å; L51-L78 HydrophobicContact CD2-CD1 3.99Å
52	E	98	Very high	97.3	Very high	157 Å²	157	35.8 Å²	35.8	73%	0.734	17%	0.173	S	C	*	.	H	α-helix	trans	-75.7	-36.5	-178.7	-72.3	178.8	176.8	0	0	113.3	D48 Y50	D48-E52 WeakPolarHBondContact O-CB 3.23Å; D48-E52 WeakPolarHBondContact O-CG 3.28Å; D48-E52 PolarHBondContact O-N 2.97Å; Y50-E52 VanDerWaalsContact C-N 3.3Å; Y50-E52 PolarHBondContact O-N 3.37Å
53	N	97.9	Very high	97.3	Very high	54 Å²	54	39.6 Å²	39.6	29%	0.289	19%	0.193	S	C	.	.	H	α-helix	trans	-117	-21.8	-165	-59.5	-76.9	0	0	0	114.8	S49 Y50 L60 C65 D66 G67	S49-N53 VanDerWaalsContact O-CB 3.29Å; S49-N53 WeakPolarHBondContact O-CB 3.18Å; S49-N53 PolarHBondContact O-N 2.79Å; S49-N53 PolarHBondContact O-ND2 2.88Å; Y50-N53 PolarHBondContact O-N 3.02Å; N53-L60 HydrophobicContact CB-CD1 3.92Å; N53-C65 HydrophobicContact CB-CB 4.41Å; N53-D66 CarbonylContact O-C 3.39Å; N53-D66 WeakPolarHBondContact O-CA 3.4Å; N53-G67 PolarHBondContact O-N 3.03Å
54	A	96.8	Very high	97.2	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.008	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128	-26	-170.2	0	0	0	0	0	114.4	Y50 F57 L60	Y50-A54 HydrophobicContact CD2-CB 3.61Å; Y50-A54 HydrophobicContact CE2-CB 3.94Å; Y50-A54 HydrophobicContact CG-CB 4.49Å; Y50-A54 CarbonylContact O-C 3.44Å; Y50-A54 WeakPolarHBondContact O-CA 3.35Å; Y50-A54 PolarHBondContact O-N 3.15Å; A54-F57 WeakPolarHBondContact O-CA 3.46Å; A54-F57 WeakPolarHBondContact O-CB 3.04Å; A54-F57 WeakPolarHBondContact O-CD2 3.15Å; A54-F57 PolarHBondContact O-N 2.88Å; A54-L60 HydrophobicContact CB-CB 3.93Å; A54-L60 HydrophobicContact CB-CD1 3.72Å; A54-L60 HydrophobicContact CB-CG 4.43Å
55	F	94.8	Very high	97.2	Very high	77 Å²	77	43 Å²	43	34%	0.338	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	132.2	174.7	177	-97.7	0	0	0	110.7	Y50 L51 L78 V100	Y50-F55 HydrophobicContact CE1-CB 4.14Å; Y50-F55 HydrophobicContact CE1-CD2 4.31Å; Y50-F55 PolarHBondContact O-N 2.71Å; L51-F55 HydrophobicContact CD2-CB 4.4Å; F55-L78 HydrophobicContact CD2-CD2 4.27Å; F55-L78 HydrophobicContact CE2-CD2 3.8Å; F55-V100 HydrophobicContact CE2-CG1 4.26Å; F55-V100 HydrophobicContact CZ-CG1 3.95Å
56	P	92.8	Very high	97.1	Very high	72 Å²	72	43.4 Å²	43.4	47%	0.468	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	cis	-97.5	12.3	11.3	39.3	-37.2	0	0	0	116	S75	P56-S75 WeakPolarHBondContact CB-OG 3.31Å; P56-S75 WeakPolarHBondContact O-CA 3.41Å; P56-S75 PolarHBondContact O-OG 3.19Å
57	F	94.4	Very high	97	Very high	91 Å²	91	43.9 Å²	43.9	40%	0.399	23%	0.228	S	C	.	.	S	Bend	trans	-60.7	162	176.7	-61.4	-78.3	0	0	0	111.9	Y50 A54 E59 D69	Y50-F57 VanDerWaalsContact CE2-O 3.26Å; Y50-F57 WeakPolarHBondContact CE2-O 3.15Å; Y50-F57 PolarHBondContact OH-O 3.15Å; A54-F57 WeakPolarHBondContact O-CA 3.46Å; A54-F57 WeakPolarHBondContact O-CB 3.04Å; A54-F57 WeakPolarHBondContact O-CD2 3.15Å; A54-F57 PolarHBondContact O-N 2.88Å; F57-E59 PolarHBondContact O-N 3.07Å; F57-D69 WeakPolarHBondContact CA-OD1 3.37Å; F57-D69 WeakPolarHBondContact CD1-OD1 3.25Å; F57-D69 WeakPolarHBondContact CD1-OD2 3.47Å
58	D	93.4	Very high	96.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-62	-44.1	-177.7	-68.8	-30.2	0	0	0	113.2	H68 D69 T70 W71 G72 S73 F74 S75 L76 T77	D58-H68 PolarHBondContact N-O 2.02Å; D58-D69 PolarHBondContact N-OD1 3.43Å; D58-D69 VanDerWaalsContact N-OD1 3.08Å; D58-T70 PolarHBondContact OD2-N 2.92Å; D58-W71 PolarHBondContact OD2-N 3.24Å; D58-G72 PolarHBondContact OD2-N 3.19Å; D58-G72 VanDerWaalsContact OD2-N 3.11Å; D58-S73 VanDerWaalsContact OD1-CA 3.31Å; D58-S73 WeakPolarHBondContact OD1-CA 3.44Å; D58-S73 PolarHBondContact OD1-N 3.42Å; D58-S73 PolarHBondContact OD2-N 3.42Å; D58-F74 PolarHBondContact OD1-N 3.23Å; D58-S75 PolarHBondContact OD1-N 3.07Å; D58-L76 HydrophobicContact CB-CB 3.73Å; D58-L76 HydrophobicContact CB-CD2 4.46Å; D58-L76 PolarHBondContact OD1-N 2.94Å; D58-T77 VanDerWaalsContact O-CB 3.27Å; D58-T77 WeakPolarHBondContact O-CB 3.34Å; D58-T77 PolarHBondContact O-N 2.98Å; D58-T77 PolarHBondContact O-OG1 3.35Å
59	E	95.6	Very high	96.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	152.7	-169.1	-69.4	-176.4	149.2	0	0	113.4	F57 G67 H68 T70 R424 E426 S427	F57-E59 PolarHBondContact O-N 3.07Å; E59-G67 WeakPolarHBondContact O-CA 3.28Å; E59-H68 WeakPolarHBondContact CB-CE1 3.48Å; E59-H68 PolarHBondContact N-O 2.75Å; E59-H68 PolarHBondContact O-N 3.36Å; E59-H68 PolarHBondContact O-ND1 3.1Å; E59-H68 VanDerWaalsContact O-ND1 3.11Å; E59-H68 IonicContact OE2-CE1 2.61Å; E59-H68 PolarHBondContact OE2-CE1 3.42Å; E59-H68 IonicContact OE2-NE2 2.75Å; E59-H68 PolarHBondContact OE2-NE2 3.43Å; E59-T70 PolarHBondContact OE2-OG1 2.93Å; E59-R424 IonicContact OE1-NH2 2.78Å; E59-R424 IonicContact OE2-CZ 2.67Å; E59-R424 IonicContact OE2-NE 3.15Å; E59-R424 PolarHBondContact OE2-NE 3.39Å; E59-R424 VanDerWaalsContact OE2-NE 3.15Å; E59-R424 IonicContact OE2-NH2 3.82Å; E59-R424 PolarHBondContact OE2-NH2 2.67Å; E59-E426 WeakPolarHBondContact OE1-CA 3.48Å; E59-S427 PolarHBondContact OE1-N 3.03Å
60	L	97.9	Very high	95.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	138.8	177.8	178.1	62.4	0	0	0	111.8	Y50 N53 A54 P62 C408 M425	Y50-L60 HydrophobicContact CD2-CB 4.28Å; N53-L60 HydrophobicContact CB-CD1 3.92Å; A54-L60 HydrophobicContact CB-CB 3.93Å; A54-L60 HydrophobicContact CB-CD1 3.72Å; A54-L60 HydrophobicContact CB-CG 4.43Å; L60-P62 HydrophobicContact CG-CB 4.43Å; L60-P62 WeakPolarHBondContact O-CD 3.41Å; L60-C408 WeakPolarHBondContact CD2-O 3.36Å; L60-M425 HydrophobicContact CB-CB 4.49Å; L60-M425 HydrophobicContact CB-CE 4Å; L60-M425 HydrophobicContact CD2-CE 3.62Å; L60-M425 HydrophobicContact CD2-SD 4.34Å; L60-M425 HydrophobicContact CG-CE 4.39Å; L60-M425 PolarHBondContact O-N 2.58Å
61	R	98	Very high	94	Very high	81 Å²	81	50.9 Å²	50.9	31%	0.306	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	96.6	165.9	-67.7	-170	-64.9	174.7	-9.9	109.3	L63 T64 C65 D66 G67 N423	R61-L63 VanDerWaalsContact C-N 3.33Å; R61-L63 PolarHBondContact O-N 3.48Å; R61-T64 PolarHBondContact O-N 3.25Å; R61-C65 PolarHBondContact O-N 3.02Å; R61-D66 WeakPolarHBondContact CB-O 3.3Å; R61-D66 WeakPolarHBondContact CB-OD1 2.97Å; R61-D66 IonicContact CZ-OD1 3.17Å; R61-D66 VanDerWaalsContact CZ-OD1 3.25Å; R61-D66 IonicContact CZ-OD2 3.46Å; R61-D66 PolarHBondContact N-O 2.81Å; R61-D66 IonicContact NE-OD1 3.31Å; R61-D66 PolarHBondContact NE-OD1 3.05Å; R61-D66 IonicContact NE-OD2 3.15Å; R61-D66 IonicContact NH2-OD1 3.86Å; R61-D66 PolarHBondContact NH2-OD1 3.46Å; R61-D66 IonicContact NH2-OD2 3.44Å; R61-D66 PolarHBondContact NH2-OD2 3.43Å; R61-D66 PolarHBondContact O-N 3.46Å; R61-G67 PolarHBondContact NH2-O 3Å; R61-N423 WeakPolarHBondContact CB-OD1 3.33Å; R61-N423 WeakPolarHBondContact CG-O 3.46Å; R61-N423 PolarHBondContact O-OD1 2.84Å
62	P	97.9	Very high	92.6	Very high	2 Å²	2	49 Å²	49	1%	0.013	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-13	-161	33.3	-40.3	0	0	0	114.2	L60 V406 C408 A411 M425	L60-P62 HydrophobicContact CG-CB 4.43Å; L60-P62 WeakPolarHBondContact O-CD 3.41Å; P62-V406 HydrophobicContact CB-CG2 3.64Å; P62-V406 HydrophobicContact CG-CG2 4.27Å; P62-V406 WeakPolarHBondContact O-CG2 3.24Å; P62-C408 WeakPolarHBondContact CA-O 3.39Å; P62-C408 WeakPolarHBondContact CB-O 3.41Å; P62-A411 HydrophobicContact CG-CB 3.77Å; P62-M425 HydrophobicContact CG-CB 4.15Å
63	L	98.2	Very high	91.7	Very high	81 Å²	81	44.7 Å²	44.7	42%	0.424	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-29.5	174.5	-53	-178.4	0	0	0	112.3	R61 V406 A411 L421 N423	R61-L63 VanDerWaalsContact C-N 3.33Å; R61-L63 PolarHBondContact O-N 3.48Å; L63-V406 HydrophobicContact CD2-CB 4.27Å; L63-V406 HydrophobicContact CD2-CG1 3.71Å; L63-V406 HydrophobicContact CD2-CG2 4.2Å; L63-A411 HydrophobicContact CD2-CB 3.92Å; L63-A411 HydrophobicContact CG-CB 4.32Å; L63-L421 HydrophobicContact CD1-CB 4.11Å; L63-L421 HydrophobicContact CD2-CB 4.38Å; L63-L421 HydrophobicContact CD2-CD1 4.08Å; L63-N423 WeakPolarHBondContact CA-OD1 3.32Å; L63-N423 HydrophobicContact CB-CB 4.2Å; L63-N423 VanDerWaalsContact CB-OD1 3.22Å; L63-N423 WeakPolarHBondContact CB-OD1 3.46Å; L63-N423 HydrophobicContact CD1-CB 3.95Å; L63-N423 HydrophobicContact CG-CB 4.17Å; L63-N423 PolarHBondContact N-OD1 3.25Å
64	T	98.1	Very high	90.9	Very high	76 Å²	76	42.4 Å²	42.4	47%	0.466	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-8.3	178.4	45.2	0	0	0	0	113.5	R61 D66 N423	R61-T64 PolarHBondContact O-N 3.25Å; T64-D66 WeakPolarHBondContact CB-OD1 3.44Å; T64-D66 PolarHBondContact OG1-OD1 3.3Å; T64-N423 WeakPolarHBondContact CG2-ND2 3.48Å; T64-N423 PolarHBondContact N-OD1 3.01Å; T64-N423 PolarHBondContact OG1-ND2 3.45Å
65	C	98.1	Very high	90.5	Very high	39 Å²	39	43 Å²	43	26%	0.264	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	51.3	-178.5	-51.8	0	0	0	0	111.6	N53 R61 C408	N53-C65 HydrophobicContact CB-CB 4.41Å; R61-C65 PolarHBondContact O-N 3.02Å; C65-C408 HydrophobicContact CB-CB 3.78Å; C65-C408 WeakPolarHBondContact CB-SG 3.44Å; C65-C408 WeakPolarHBondContact SG-CB 3.34Å; C65-C408 CovalentContact SG-SG 2.02Å; C65-C408 PolarHBondContact SG-SG 2.9Å
66	D	97.3	Very high	90.3	Very high	55 Å²	55	39.4 Å²	39.4	29%	0.294	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	163.2	176.1	63.9	-8.9	0	0	0	112.1	N53 R61 T64	N53-D66 CarbonylContact O-C 3.39Å; N53-D66 WeakPolarHBondContact O-CA 3.4Å; R61-D66 WeakPolarHBondContact CB-O 3.3Å; R61-D66 WeakPolarHBondContact CB-OD1 2.97Å; R61-D66 IonicContact CZ-OD1 3.17Å; R61-D66 VanDerWaalsContact CZ-OD1 3.25Å; R61-D66 IonicContact CZ-OD2 3.46Å; R61-D66 PolarHBondContact N-O 2.81Å; R61-D66 IonicContact NE-OD1 3.31Å; R61-D66 PolarHBondContact NE-OD1 3.05Å; R61-D66 IonicContact NE-OD2 3.15Å; R61-D66 IonicContact NH2-OD1 3.86Å; R61-D66 PolarHBondContact NH2-OD1 3.46Å; R61-D66 IonicContact NH2-OD2 3.44Å; R61-D66 PolarHBondContact NH2-OD2 3.43Å; R61-D66 PolarHBondContact O-N 3.46Å; T64-D66 WeakPolarHBondContact CB-OD1 3.44Å; T64-D66 PolarHBondContact OG1-OD1 3.3Å
67	G	95.4	Very high	90.5	Very high	10 Å²	10	36 Å²	36	10%	0.103	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	162.7	178.2	0	0	0	0	0	114.2	N53 E59 R61	N53-G67 PolarHBondContact O-N 3.03Å; E59-G67 WeakPolarHBondContact O-CA 3.28Å; R61-G67 PolarHBondContact NH2-O 3Å
68	H	93.4	Very high	90.5	Very high	41 Å²	41	31.7 Å²	31.7	19%	0.19	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	153.7	164.1	75.6	-57.1	0	0	0	111.5	D58 E59 T70 R424	D58-H68 PolarHBondContact N-O 2.02Å; E59-H68 WeakPolarHBondContact CB-CE1 3.48Å; E59-H68 PolarHBondContact N-O 2.75Å; E59-H68 PolarHBondContact O-N 3.36Å; E59-H68 PolarHBondContact O-ND1 3.1Å; E59-H68 VanDerWaalsContact O-ND1 3.11Å; E59-H68 IonicContact OE2-CE1 2.61Å; E59-H68 PolarHBondContact OE2-CE1 3.42Å; E59-H68 IonicContact OE2-NE2 2.75Å; E59-H68 PolarHBondContact OE2-NE2 3.43Å; H68-T70 PolarHBondContact NE2-OG1 3.19Å; H68-R424 PolarHBondContact NE2-NE 3.3Å
69	D	89.3	Confident	90.6	Very high	69 Å²	69	31.8 Å²	31.8	37%	0.369	17%	0.173	S	C	.	.			trans	-94.9	134.2	174.4	-67.4	-37.2	0	0	0	110.9	F57 D58 S73	F57-D69 WeakPolarHBondContact CA-OD1 3.37Å; F57-D69 WeakPolarHBondContact CD1-OD1 3.25Å; F57-D69 WeakPolarHBondContact CD1-OD2 3.47Å; D58-D69 PolarHBondContact N-OD1 3.43Å; D58-D69 VanDerWaalsContact N-OD1 3.08Å; D69-S73 WeakPolarHBondContact OD1-CA 3.41Å; D69-S73 PolarHBondContact OD1-OG 2.87Å; D69-S73 PolarHBondContact OD2-OG 3.25Å
70	T	80.3	Confident	90.7	Very high	38 Å²	38	31.8 Å²	31.8	23%	0.233	17%	0.173	C	C	.	.	S	Bend	trans	-117.1	-40.7	-175.6	-54.7	0	0	0	0	110.3	D58 E59 H68	D58-T70 PolarHBondContact OD2-N 2.92Å; E59-T70 PolarHBondContact OE2-OG1 2.93Å; H68-T70 PolarHBondContact NE2-OG1 3.19Å
71	W	68.5	Low	90.7	Very high	79 Å²	79	31.8 Å²	31.8	30%	0.299	17%	0.173	S	C	.	.	S	Bend	trans	-134.9	12.6	-166.4	-64.7	120.8	0	0	0	115.3	D58 F74 L76 S114 E117	D58-W71 PolarHBondContact OD2-N 3.24Å; W71-F74 WeakPolarHBondContact O-CE2 3.4Å; W71-L76 HydrophobicContact CB-CD2 4.25Å; W71-L76 HydrophobicContact CG-CD2 4.32Å; W71-S114 VanDerWaalsContact CZ3-CB 3.44Å; W71-E117 HydrophobicContact CD2-CB 4.26Å; W71-E117 HydrophobicContact CD2-CG 4.31Å; W71-E117 HydrophobicContact CH2-CG 4.17Å; W71-E117 HydrophobicContact CZ2-CG 3.83Å
72	G	68.1	Low	90.6	Very high	5 Å²	5	28 Å²	28	5%	0.052	16%	0.158	C	C	.	.	S	Bend	trans	132.3	15.5	166.4	0	0	0	0	0	115.3	D58 F74 I109	D58-G72 PolarHBondContact OD2-N 3.19Å; D58-G72 VanDerWaalsContact OD2-N 3.11Å; G72-F74 WeakPolarHBondContact O-CZ 3.48Å; G72-I109 WeakPolarHBondContact O-CD1 3.31Å
73	S	80.6	Confident	90.7	Very high	67 Å²	67	27.9 Å²	27.9	47%	0.469	16%	0.158	S	C	.	.	S	Bend	trans	64.3	39.8	175.5	-43.8	0	0	0	0	113.1	D58 D69 S75	D58-S73 VanDerWaalsContact OD1-CA 3.31Å; D58-S73 WeakPolarHBondContact OD1-CA 3.44Å; D58-S73 PolarHBondContact OD1-N 3.42Å; D58-S73 PolarHBondContact OD2-N 3.42Å; D69-S73 WeakPolarHBondContact OD1-CA 3.41Å; D69-S73 PolarHBondContact OD1-OG 2.87Å; D69-S73 PolarHBondContact OD2-OG 3.25Å; S73-S75 VanDerWaalsContact C-N 3.34Å
74	F	80.5	Confident	90.7	Very high	6 Å²	6	24 Å²	24	3%	0.026	14%	0.138	C	C	.	.	S	Bend	trans	-93.3	11.9	-179.6	-52.8	-61.8	0	0	0	113.4	D58 W71 G72 L76 I79 F107 I109 V111 V122 L178	D58-F74 PolarHBondContact OD1-N 3.23Å; W71-F74 WeakPolarHBondContact O-CE2 3.4Å; G72-F74 WeakPolarHBondContact O-CZ 3.48Å; F74-L76 VanDerWaalsContact C-N 3.28Å; F74-L76 PolarHBondContact O-N 3.39Å; F74-I79 HydrophobicContact CB-CD1 4.23Å; F74-I79 WeakPolarHBondContact O-CD1 3.42Å; F74-F107 HydrophobicContact CD1-CD1 4.05Å; F74-F107 AromaticContact CD1-CE1 3.99Å; F74-F107 HydrophobicContact CD1-CE1 3.99Å; F74-F107 AromaticContact CE1-CD1 3.93Å; F74-F107 HydrophobicContact CE1-CD1 3.93Å; F74-F107 HydrophobicContact CE1-CE1 4.3Å; F74-F107 HydrophobicContact CG-CE1 4.4Å; F74-I109 HydrophobicContact CD1-CD1 4.31Å; F74-I109 HydrophobicContact CE1-CD1 3.34Å; F74-I109 HydrophobicContact CE1-CG1 3.97Å; F74-I109 HydrophobicContact CZ-CD1 3.67Å; F74-I109 HydrophobicContact CZ-CG1 4.29Å; F74-V111 HydrophobicContact CZ-CG1 4.08Å; F74-V122 HydrophobicContact CD2-CG2 4.42Å; F74-L178 HydrophobicContact CE1-CD1 3.85Å; F74-L178 HydrophobicContact CE2-CD1 4.1Å; F74-L178 HydrophobicContact CZ-CD1 3.23Å
75	S	87.9	Confident	90.7	Very high	13 Å²	13	20.4 Å²	20.4	9%	0.091	12%	0.115	C	C	.	.			trans	53.9	48.5	-164.5	-56.4	0	0	0	0	111	P56 D58 S73 T77 L78 I79	P56-S75 WeakPolarHBondContact CB-OG 3.31Å; P56-S75 WeakPolarHBondContact O-CA 3.41Å; P56-S75 PolarHBondContact O-OG 3.19Å; D58-S75 PolarHBondContact OD1-N 3.07Å; S73-S75 VanDerWaalsContact C-N 3.34Å; S75-T77 VanDerWaalsContact C-N 3.32Å; S75-T77 PolarHBondContact O-N 3.24Å; S75-L78 WeakPolarHBondContact O-CA 3.13Å; S75-L78 WeakPolarHBondContact O-CB 3.4Å; S75-L78 PolarHBondContact O-N 2.9Å; S75-I79 PolarHBondContact O-N 3.48Å
76	L	91.5	Very high	90.7	Very high	2 Å²	2	19 Å²	19	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-45.9	-49.9	-172.8	-175	66.3	0	0	0	113.9	D58 W71 F74 L78 I79 D80 R121 V122	D58-L76 HydrophobicContact CB-CB 3.73Å; D58-L76 HydrophobicContact CB-CD2 4.46Å; D58-L76 PolarHBondContact OD1-N 2.94Å; W71-L76 HydrophobicContact CB-CD2 4.25Å; W71-L76 HydrophobicContact CG-CD2 4.32Å; F74-L76 VanDerWaalsContact C-N 3.28Å; F74-L76 PolarHBondContact O-N 3.39Å; L76-L78 PolarHBondContact O-N 3.4Å; L76-I79 PolarHBondContact O-N 3.09Å; L76-I79 VanDerWaalsContact O-N 3.09Å; L76-D80 WeakPolarHBondContact O-CB 3.46Å; L76-D80 PolarHBondContact O-N 2.71Å; L76-R121 HydrophobicContact CD1-CB 3.72Å; L76-R121 HydrophobicContact CD1-CG 4.37Å; L76-V122 HydrophobicContact CD1-CG2 3.91Å
77	T	95.2	Very high	90.8	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.006	9%	0.092	C	C	.	.	H	α-helix	trans	-57.2	-34.1	178.3	-64	0	0	0	0	112.5	Y50 D58 S75 A81 S427 L430	Y50-T77 HydrophobicContact CD1-CG2 3.87Å; Y50-T77 HydrophobicContact CD2-CG2 3.87Å; Y50-T77 HydrophobicContact CE1-CG2 4.08Å; Y50-T77 HydrophobicContact CE2-CG2 4.11Å; Y50-T77 HydrophobicContact CG-CG2 3.77Å; D58-T77 VanDerWaalsContact O-CB 3.27Å; D58-T77 WeakPolarHBondContact O-CB 3.34Å; D58-T77 PolarHBondContact O-N 2.98Å; D58-T77 PolarHBondContact O-OG1 3.35Å; S75-T77 VanDerWaalsContact C-N 3.32Å; S75-T77 PolarHBondContact O-N 3.24Å; T77-A81 WeakPolarHBondContact O-CB 3.22Å; T77-A81 PolarHBondContact O-N 2.89Å; T77-S427 WeakPolarHBondContact OG1-CB 3.16Å; T77-L430 HydrophobicContact CG2-CD1 3.68Å
78	L	94.9	Very high	90.9	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-69.5	-40.6	178.2	-161.8	69.8	0	0	0	112.1	Y47 Y50 L51 F55 S75 L76 L82 V97 V100 L101	Y47-L78 HydrophobicContact CE2-CD1 4.14Å; Y47-L78 WeakPolarHBondContact OH-CD1 3.3Å; Y50-L78 HydrophobicContact CE1-CB 4.26Å; Y50-L78 HydrophobicContact CE1-CD1 4.39Å; L51-L78 HydrophobicContact CD2-CD1 3.99Å; F55-L78 HydrophobicContact CD2-CD2 4.27Å; F55-L78 HydrophobicContact CE2-CD2 3.8Å; S75-L78 WeakPolarHBondContact O-CA 3.13Å; S75-L78 WeakPolarHBondContact O-CB 3.4Å; S75-L78 PolarHBondContact O-N 2.9Å; L76-L78 PolarHBondContact O-N 3.4Å; L78-L82 PolarHBondContact O-N 3.36Å; L78-V97 HydrophobicContact CD1-CG1 4.09Å; L78-V97 HydrophobicContact CD1-CG2 3.69Å; L78-V97 HydrophobicContact CD2-CG1 3.89Å; L78-V97 HydrophobicContact CD2-CG2 4.44Å; L78-V97 HydrophobicContact CG-CB 4.49Å; L78-V97 HydrophobicContact CG-CG1 3.57Å; L78-V97 HydrophobicContact CG-CG2 4.12Å; L78-V100 HydrophobicContact CD2-CG1 3.96Å; L78-L101 HydrophobicContact CD2-CD2 4.09Å
79	I	96.4	Very high	91.1	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-66.8	-50.2	175.9	-61.2	176.3	0	0	0	109.9	F74 S75 L76 A81 L82 L101 V122 L126	F74-I79 HydrophobicContact CB-CD1 4.23Å; F74-I79 WeakPolarHBondContact O-CD1 3.42Å; S75-I79 PolarHBondContact O-N 3.48Å; L76-I79 PolarHBondContact O-N 3.09Å; L76-I79 VanDerWaalsContact O-N 3.09Å; I79-A81 VanDerWaalsContact C-N 3.32Å; I79-A81 PolarHBondContact O-N 3.43Å; I79-L82 VanDerWaalsContact O-CB 3.29Å; I79-L82 WeakPolarHBondContact O-CB 3.41Å; I79-L82 PolarHBondContact O-N 3.1Å; I79-L101 HydrophobicContact CD1-CD2 4.31Å; I79-L101 HydrophobicContact CG1-CD1 4.08Å; I79-L101 HydrophobicContact CG1-CD2 3.61Å; I79-V122 HydrophobicContact CD1-CG1 4.14Å; I79-L126 HydrophobicContact CG2-CG 4.24Å
80	D	96.6	Very high	91.6	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.8	-35.5	-176.9	-88.4	7.9	0	0	0	112.8	L76 L82 R121 S427 A431 H478	L76-D80 WeakPolarHBondContact O-CB 3.46Å; L76-D80 PolarHBondContact O-N 2.71Å; D80-L82 VanDerWaalsContact C-N 3.34Å; D80-R121 WeakPolarHBondContact OD1-CA 3.49Å; D80-R121 WeakPolarHBondContact OD1-CB 3.31Å; D80-R121 IonicContact OD2-NH1 3.2Å; D80-R121 PolarHBondContact OD2-NH1 2.91Å; D80-S427 VanDerWaalsContact OD2-CB 3.26Å; D80-S427 WeakPolarHBondContact OD2-CB 3.16Å; D80-S427 PolarHBondContact OD2-OG 2.83Å; D80-A431 HydrophobicContact CB-CB 3.93Å; D80-A431 WeakPolarHBondContact O-CB 3.38Å; D80-H478 PolarHBondContact O-CE1 3.42Å; D80-H478 IonicContact OD1-NE2 2.98Å
81	A	97.7	Very high	92.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-8.6	-179.6	0	0	0	0	0	114	F43 Y47 T77 I79 T84 L85 L430	F43-A81 HydrophobicContact CE2-CB 4.38Å; F43-A81 HydrophobicContact CZ-CB 4.15Å; Y47-A81 HydrophobicContact CD2-CB 4.13Å; Y47-A81 HydrophobicContact CE2-CB 4.19Å; T77-A81 WeakPolarHBondContact O-CB 3.22Å; T77-A81 PolarHBondContact O-N 2.89Å; I79-A81 VanDerWaalsContact C-N 3.32Å; I79-A81 PolarHBondContact O-N 3.43Å; A81-T84 VanDerWaalsContact O-CB 3.27Å; A81-T84 WeakPolarHBondContact O-CB 3.28Å; A81-T84 PolarHBondContact O-N 3.47Å; A81-T84 VanDerWaalsContact O-N 3.15Å; A81-L85 PolarHBondContact O-N 3.38Å; A81-L430 HydrophobicContact CB-CB 4.14Å; A81-L430 HydrophobicContact CB-CD1 4.27Å
82	L	97.7	Very high	93.8	Very high	1 Å²	1	16 Å²	16	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-63	-50.9	-166.3	-177	50.2	0	0	0	113.1	L78 I79 D80 T84 L85 F94 V97 V98 L101 A129	L78-L82 PolarHBondContact O-N 3.36Å; I79-L82 VanDerWaalsContact O-CB 3.29Å; I79-L82 WeakPolarHBondContact O-CB 3.41Å; I79-L82 PolarHBondContact O-N 3.1Å; D80-L82 VanDerWaalsContact C-N 3.34Å; L82-T84 PolarHBondContact O-N 2.81Å; L82-L85 HydrophobicContact CD1-CD1 4.18Å; L82-L85 WeakPolarHBondContact O-CB 3.42Å; L82-L85 PolarHBondContact O-N 2.78Å; L82-F94 HydrophobicContact CD1-CB 4.36Å; L82-F94 HydrophobicContact CD1-CD1 4.48Å; L82-F94 HydrophobicContact CD1-CD2 3.57Å; L82-F94 HydrophobicContact CD1-CE2 3.86Å; L82-F94 HydrophobicContact CD1-CG 3.9Å; L82-F94 HydrophobicContact CD1-CZ 4.43Å; L82-F94 HydrophobicContact CG-CD2 4.03Å; L82-F94 HydrophobicContact CG-CE2 3.81Å; L82-F94 HydrophobicContact CG-CZ 4.35Å; L82-F94 WeakPolarHBondContact O-CD2 3.39Å; L82-V97 HydrophobicContact CD1-CB 3.72Å; L82-V97 HydrophobicContact CD1-CG1 3.6Å; L82-V97 HydrophobicContact CD2-CG1 4.1Å; L82-V97 HydrophobicContact CG-CG1 4.31Å; L82-V98 HydrophobicContact CD1-CG2 4.37Å; L82-V98 HydrophobicContact CD2-CG2 4.06Å; L82-L101 HydrophobicContact CD2-CD1 3.73Å; L82-A129 HydrophobicContact CB-CB 4.46Å; L82-A129 HydrophobicContact CD2-CB 3.35Å; L82-A129 HydrophobicContact CG-CB 3.76Å
83	D	98.4	Very high	95.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.9	-32.4	176.2	61.5	-0.4	0	0	0	112.6	L85 L86 I87 L132 K435 H478 P479	D83-L85 VanDerWaalsContact C-N 3.34Å; D83-L85 PolarHBondContact O-N 3.5Å; D83-L86 PolarHBondContact O-N 3.29Å; D83-I87 WeakPolarHBondContact O-CG1 3.05Å; D83-I87 PolarHBondContact O-N 2.84Å; D83-L132 HydrophobicContact CB-CD1 3.74Å; D83-K435 VanDerWaalsContact OD1-CE 3.26Å; D83-K435 WeakPolarHBondContact OD1-CE 3.49Å; D83-K435 IonicContact OD1-NZ 3.91Å; D83-K435 PolarHBondContact OD1-NZ 3.18Å; D83-K435 IonicContact OD2-NZ 3.34Å; D83-K435 PolarHBondContact OD2-NZ 2.73Å; D83-H478 IonicContact OD1-ND1 3.05Å; D83-H478 WeakPolarHBondContact OD2-CA 3.04Å; D83-H478 IonicContact OD2-CE1 2.82Å; D83-H478 IonicContact OD2-CG 2.61Å; D83-H478 IonicContact OD2-ND1 3.23Å; D83-H478 PolarHBondContact OD2-ND1 3.49Å; D83-P479 WeakPolarHBondContact OD2-CD 3.24Å
84	T	98.8	Very high	96.1	Very high	0 Å²	0	14 Å²	14	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.1	-40.7	178.4	-49.4	0	0	0	0	110.5	F43 A81 L82 L86 I87 L88 L430 K435	F43-T84 HydrophobicContact CD2-CG2 3.73Å; F43-T84 HydrophobicContact CE2-CG2 3.36Å; F43-T84 HydrophobicContact CZ-CG2 4.21Å; A81-T84 VanDerWaalsContact O-CB 3.27Å; A81-T84 WeakPolarHBondContact O-CB 3.28Å; A81-T84 PolarHBondContact O-N 3.47Å; A81-T84 VanDerWaalsContact O-N 3.15Å; L82-T84 PolarHBondContact O-N 2.81Å; T84-L86 VanDerWaalsContact C-N 3.25Å; T84-L86 PolarHBondContact O-N 3.34Å; T84-I87 PolarHBondContact O-N 3.09Å; T84-I87 VanDerWaalsContact O-N 3.1Å; T84-L88 HydrophobicContact CG2-CD1 3.72Å; T84-L88 HydrophobicContact CG2-CD2 4.46Å; T84-L88 WeakPolarHBondContact O-CB 3.46Å; T84-L88 WeakPolarHBondContact O-CD1 3.21Å; T84-L88 PolarHBondContact O-N 2.91Å; T84-L430 PolarHBondContact OG1-O 3.18Å; T84-K435 HydrophobicContact CG2-CB 4.11Å; T84-K435 WeakPolarHBondContact OG1-CE 3.38Å; T84-K435 PolarHBondContact OG1-NZ 2.72Å
85	L	98.7	Very high	96.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-53.1	-45.3	174	-69.2	165.8	0	0	0	111.5	F43 Y47 A81 L82 D83 L88 G89 N90 E93 F94 V97	F43-L85 HydrophobicContact CE1-CD2 3.55Å; F43-L85 HydrophobicContact CE1-CG 4.35Å; F43-L85 HydrophobicContact CZ-CD2 3.82Å; F43-L85 HydrophobicContact CZ-CG 4.14Å; Y47-L85 HydrophobicContact CE1-CD2 4.18Å; Y47-L85 HydrophobicContact CE2-CD1 4.4Å; Y47-L85 HydrophobicContact CE2-CD2 4.42Å; A81-L85 PolarHBondContact O-N 3.38Å; L82-L85 HydrophobicContact CD1-CD1 4.18Å; L82-L85 WeakPolarHBondContact O-CB 3.42Å; L82-L85 PolarHBondContact O-N 2.78Å; D83-L85 VanDerWaalsContact C-N 3.34Å; D83-L85 PolarHBondContact O-N 3.5Å; L85-L88 PolarHBondContact O-N 3.43Å; L85-G89 PolarHBondContact O-N 3.27Å; L85-N90 WeakPolarHBondContact O-CA 3.3Å; L85-N90 PolarHBondContact O-N 2.04Å; L85-E93 HydrophobicContact CD1-CB 4.32Å; L85-E93 HydrophobicContact CD1-CG 3.75Å; L85-E93 HydrophobicContact CD2-CB 4.1Å; L85-E93 HydrophobicContact CD2-CG 3.68Å; L85-E93 HydrophobicContact CG-CG 4.35Å; L85-F94 HydrophobicContact CB-CB 4.39Å; L85-V97 HydrophobicContact CD1-CG2 4.16Å
86	L	98.4	Very high	97.4	Very high	10 Å²	10	20.4 Å²	20.4	5%	0.052	12%	0.121	C	C	.	.	H	α-helix	trans	-68.6	-41.8	177.4	-176.5	64.1	0	0	0	112.2	D83 T84 L88 G89 V91 F94 L132 K135 A136 F446	D83-L86 PolarHBondContact O-N 3.29Å; T84-L86 VanDerWaalsContact C-N 3.25Å; T84-L86 PolarHBondContact O-N 3.34Å; L86-L88 PolarHBondContact O-N 3.05Å; L86-G89 WeakPolarHBondContact O-CA 3.47Å; L86-G89 PolarHBondContact O-N 3.19Å; L86-V91 HydrophobicContact CD1-CG2 3.94Å; L86-F94 HydrophobicContact CB-CD2 3.81Å; L86-F94 HydrophobicContact CB-CE2 4.21Å; L86-L132 HydrophobicContact CD2-CB 3.65Å; L86-L132 HydrophobicContact CD2-CD1 4.18Å; L86-L132 HydrophobicContact CD2-CD2 4.03Å; L86-L132 HydrophobicContact CD2-CG 4.16Å; L86-K135 HydrophobicContact CD2-CB 4.27Å; L86-K135 HydrophobicContact CD2-CG 4.41Å; L86-A136 HydrophobicContact CD1-CB 3.83Å; L86-A136 HydrophobicContact CD2-CB 4.14Å; L86-F446 HydrophobicContact CD2-CZ 4.12Å; L86-F446 HydrophobicContact CG-CE1 4.31Å; L86-F446 HydrophobicContact CG-CZ 4.23Å
87	I	98.5	Very high	97.6	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.015	12%	0.12	C	C	.	.	H	α-helix	trans	-59.2	-36.6	178.4	-69.2	169.8	0	0	0	111.2	D83 T84 G89 K435 Y438 L439 N445 F446 I447 P479	D83-I87 WeakPolarHBondContact O-CG1 3.05Å; D83-I87 PolarHBondContact O-N 2.84Å; T84-I87 PolarHBondContact O-N 3.09Å; T84-I87 VanDerWaalsContact O-N 3.1Å; I87-G89 VanDerWaalsContact C-N 3.27Å; I87-G89 PolarHBondContact O-N 3.29Å; I87-K435 HydrophobicContact CD1-CD 3.65Å; I87-K435 HydrophobicContact CD1-CG 3.78Å; I87-Y438 HydrophobicContact CG2-CD1 3.98Å; I87-Y438 HydrophobicContact CG2-CE1 4.4Å; I87-Y438 VanDerWaalsContact O-CE1 3.3Å; I87-Y438 WeakPolarHBondContact O-CE1 3.36Å; I87-L439 HydrophobicContact CG2-CD2 3.77Å; I87-L439 HydrophobicContact CG2-CG 4.1Å; I87-N445 PolarHBondContact O-ND2 3.4Å; I87-N445 VanDerWaalsContact O-ND2 3.11Å; I87-F446 HydrophobicContact CG1-CE1 4.49Å; I87-F446 HydrophobicContact CG1-CZ 4.26Å; I87-I447 HydrophobicContact CD1-CD1 4.18Å; I87-I447 HydrophobicContact CD1-CG1 4.06Å; I87-I447 HydrophobicContact CG1-CD1 4.18Å; I87-I447 HydrophobicContact CG1-CG1 3.87Å; I87-P479 HydrophobicContact CD1-CG 4.47Å
88	L	98.4	Very high	97.7	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-3.1	175.6	-85.4	58.6	0	0	0	113.8	K40 F43 T84 L85 L86 Y438	K40-L88 HydrophobicContact CG-CD2 4.47Å; K40-L88 PolarHBondContact NZ-O 3.01Å; K40-L88 VanDerWaalsContact NZ-O 3.16Å; F43-L88 HydrophobicContact CB-CD2 3.47Å; F43-L88 VanDerWaalsContact CB-CD2 3.47Å; F43-L88 HydrophobicContact CD1-CD2 3.7Å; F43-L88 HydrophobicContact CD2-CD2 3.76Å; F43-L88 HydrophobicContact CE1-CD2 4.4Å; F43-L88 HydrophobicContact CE2-CD2 4.44Å; F43-L88 HydrophobicContact CG-CD2 3.33Å; T84-L88 HydrophobicContact CG2-CD1 3.72Å; T84-L88 HydrophobicContact CG2-CD2 4.46Å; T84-L88 WeakPolarHBondContact O-CB 3.46Å; T84-L88 WeakPolarHBondContact O-CD1 3.21Å; T84-L88 PolarHBondContact O-N 2.91Å; L85-L88 PolarHBondContact O-N 3.43Å; L86-L88 PolarHBondContact O-N 3.05Å; L88-Y438 HydrophobicContact CD1-CD1 3.91Å; L88-Y438 HydrophobicContact CD1-CD2 3.97Å; L88-Y438 HydrophobicContact CD1-CE1 4.38Å; L88-Y438 HydrophobicContact CD1-CE2 4.42Å; L88-Y438 HydrophobicContact CD1-CG 3.69Å; L88-Y438 HydrophobicContact CG-CD2 3.91Å; L88-Y438 HydrophobicContact CG-CE2 4.02Å; L88-Y438 HydrophobicContact CG-CG 4.16Å
89	G	97.8	Very high	97.8	Very high	53 Å²	53	26.3 Å²	26.3	55%	0.546	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	13.7	176.8	0	0	0	0	0	115.6	L85 L86 I87 V91	L85-G89 PolarHBondContact O-N 3.27Å; L86-G89 WeakPolarHBondContact O-CA 3.47Å; L86-G89 PolarHBondContact O-N 3.19Å; I87-G89 VanDerWaalsContact C-N 3.27Å; I87-G89 PolarHBondContact O-N 3.29Å; G89-V91 PolarHBondContact O-N 3.44Å
90	N	98.2	Very high	97.7	Very high	33 Å²	33	27.5 Å²	27.5	18%	0.176	16%	0.156	C	C	.	.			trans	-92.2	78.2	178.3	-171	-6.9	0	0	0	111.9	Y44 L85 S92 E93 F94	Y44-N90 WeakPolarHBondContact CE1-ND2 3.49Å; Y44-N90 WeakPolarHBondContact OH-CB 3.5Å; Y44-N90 PolarHBondContact OH-ND2 3.08Å; L85-N90 WeakPolarHBondContact O-CA 3.3Å; L85-N90 PolarHBondContact O-N 2.04Å; N90-S92 PolarHBondContact OD1-OG 3.16Å; N90-E93 HydrophobicContact CB-CB 4.47Å; N90-E93 VanDerWaalsContact ND2-CB 3.3Å; N90-E93 WeakPolarHBondContact ND2-CB 3.35Å; N90-E93 WeakPolarHBondContact OD1-CB 3.38Å; N90-E93 PolarHBondContact OD1-N 3.09Å; N90-F94 PolarHBondContact O-N 2.97Å
91	V	98.1	Very high	97.5	Very high	53 Å²	53	27.6 Å²	27.6	32%	0.321	16%	0.156	S	C	.	.	H	α-helix	trans	-66.7	-38	-178.8	-179.6	0	0	0	0	112.1	L86 G89 F94 Q95 A136	L86-V91 HydrophobicContact CD1-CG2 3.94Å; G89-V91 PolarHBondContact O-N 3.44Å; V91-F94 WeakPolarHBondContact O-CB 3Å; V91-F94 PolarHBondContact O-N 3.44Å; V91-Q95 HydrophobicContact CG1-CG 4.49Å; V91-Q95 VanDerWaalsContact O-CG 3.28Å; V91-Q95 WeakPolarHBondContact O-CG 3.4Å; V91-Q95 PolarHBondContact O-N 3.45Å; V91-A136 HydrophobicContact CG1-CB 4.48Å; V91-A136 WeakPolarHBondContact CG1-O 3.5Å
92	S	98.1	Very high	97.3	Very high	87 Å²	87	31.4 Å²	31.4	61%	0.608	17%	0.174	S	C	*	.	H	α-helix	trans	-64.2	-42.8	-179.1	43.8	0	0	0	0	112.4	N90 Q95 R96	N90-S92 PolarHBondContact OD1-OG 3.16Å; S92-Q95 PolarHBondContact O-N 3.35Å; S92-R96 PolarHBondContact O-N 2.8Å
93	E	98	Very high	96.9	Very high	29 Å²	29	37.7 Å²	37.7	14%	0.136	21%	0.208	C	C	.	.	H	α-helix	trans	-73	-37.1	180	-174.9	61.2	-176.1	0	0	111.4	Y47 L85 N90 Q95 R96 V97	Y47-E93 HydrophobicContact CE1-CG 3.82Å; Y47-E93 VanDerWaalsContact CE1-OE1 3.28Å; Y47-E93 WeakPolarHBondContact CE1-OE1 3.33Å; Y47-E93 WeakPolarHBondContact OH-CG 3.49Å; Y47-E93 PolarHBondContact OH-OE1 2.91Å; L85-E93 HydrophobicContact CD1-CB 4.32Å; L85-E93 HydrophobicContact CD1-CG 3.75Å; L85-E93 HydrophobicContact CD2-CB 4.1Å; L85-E93 HydrophobicContact CD2-CG 3.68Å; L85-E93 HydrophobicContact CG-CG 4.35Å; N90-E93 HydrophobicContact CB-CB 4.47Å; N90-E93 VanDerWaalsContact ND2-CB 3.3Å; N90-E93 WeakPolarHBondContact ND2-CB 3.35Å; N90-E93 WeakPolarHBondContact OD1-CB 3.38Å; N90-E93 PolarHBondContact OD1-N 3.09Å; E93-Q95 VanDerWaalsContact C-N 3.33Å; E93-Q95 PolarHBondContact O-N 3.03Å; E93-R96 VanDerWaalsContact CD-NE 3.28Å; E93-R96 PolarHBondContact O-N 3.42Å; E93-R96 IonicContact OE1-CZ 2.97Å; E93-R96 VanDerWaalsContact OE1-CZ 3.28Å; E93-R96 IonicContact OE1-NE 3.94Å; E93-R96 PolarHBondContact OE1-NE 3.33Å; E93-R96 VanDerWaalsContact OE1-NE 3.15Å; E93-R96 IonicContact OE1-NH2 3.96Å; E93-R96 PolarHBondContact OE1-NH2 3.44Å; E93-R96 WeakPolarHBondContact OE2-CD 3.41Å; E93-R96 IonicContact OE2-CZ 3.51Å; E93-R96 IonicContact OE2-NE 3.15Å; E93-R96 PolarHBondContact OE2-NE 3.09Å; E93-R96 IonicContact OE2-NH2 3.94Å; E93-V97 HydrophobicContact CG-CG2 4.46Å; E93-V97 WeakPolarHBondContact O-CB 3.35Å; E93-V97 VanDerWaalsContact O-CG2 3.3Å; E93-V97 WeakPolarHBondContact O-CG2 3.3Å; E93-V97 PolarHBondContact O-N 3.21Å
94	F	98.6	Very high	96.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-53.4	-51.4	170.1	-177	-76.9	0	0	0	111.3	L82 L85 L86 N90 V91 R96 V97 V98 A129 L132 A136 V138	L82-F94 HydrophobicContact CD1-CB 4.36Å; L82-F94 HydrophobicContact CD1-CD1 4.48Å; L82-F94 HydrophobicContact CD1-CD2 3.57Å; L82-F94 HydrophobicContact CD1-CE2 3.86Å; L82-F94 HydrophobicContact CD1-CG 3.9Å; L82-F94 HydrophobicContact CD1-CZ 4.43Å; L82-F94 HydrophobicContact CG-CD2 4.03Å; L82-F94 HydrophobicContact CG-CE2 3.81Å; L82-F94 HydrophobicContact CG-CZ 4.35Å; L82-F94 WeakPolarHBondContact O-CD2 3.39Å; L85-F94 HydrophobicContact CB-CB 4.39Å; L86-F94 HydrophobicContact CB-CD2 3.81Å; L86-F94 HydrophobicContact CB-CE2 4.21Å; N90-F94 PolarHBondContact O-N 2.97Å; V91-F94 WeakPolarHBondContact O-CB 3Å; V91-F94 PolarHBondContact O-N 3.44Å; F94-R96 PolarHBondContact O-N 3.13Å; F94-V97 PolarHBondContact O-N 3.38Å; F94-V98 HydrophobicContact CD1-CG2 3.89Å; F94-V98 HydrophobicContact CE1-CG2 3.55Å; F94-V98 HydrophobicContact CZ-CG2 4.16Å; F94-V98 WeakPolarHBondContact O-CG2 3.35Å; F94-V98 PolarHBondContact O-N 2.93Å; F94-A129 HydrophobicContact CE2-CB 4.42Å; F94-A129 HydrophobicContact CZ-CB 4.17Å; F94-L132 HydrophobicContact CE2-CB 4.44Å; F94-L132 HydrophobicContact CZ-CB 4.33Å; F94-A136 HydrophobicContact CB-CB 4.45Å; F94-A136 HydrophobicContact CD1-CB 3.24Å; F94-A136 HydrophobicContact CD2-CB 4.36Å; F94-A136 HydrophobicContact CE1-CB 3.43Å; F94-A136 VanDerWaalsContact CE1-CB 3.43Å; F94-A136 HydrophobicContact CG-CB 3.77Å; F94-A136 HydrophobicContact CZ-CB 4.09Å; F94-V138 HydrophobicContact CD1-CG2 4.02Å; F94-V138 HydrophobicContact CE1-CG2 3.88Å
95	Q	98.1	Very high	95.9	Very high	67 Å²	67	44.6 Å²	44.6	31%	0.313	25%	0.245	S	C	.	.	H	α-helix	trans	-59.9	-46	179.7	-71	171.4	-8.4	0	0	111.8	V91 S92 E93 V97 V98 E99 A136 G137 V138	V91-Q95 HydrophobicContact CG1-CG 4.49Å; V91-Q95 VanDerWaalsContact O-CG 3.28Å; V91-Q95 WeakPolarHBondContact O-CG 3.4Å; V91-Q95 PolarHBondContact O-N 3.45Å; S92-Q95 PolarHBondContact O-N 3.35Å; E93-Q95 VanDerWaalsContact C-N 3.33Å; E93-Q95 PolarHBondContact O-N 3.03Å; Q95-V97 VanDerWaalsContact C-N 3.34Å; Q95-V97 PolarHBondContact O-N 2.9Å; Q95-V98 PolarHBondContact O-N 2.79Å; Q95-E99 PolarHBondContact O-N 3.15Å; Q95-A136 PolarHBondContact NE2-O 3.29Å; Q95-G137 PolarHBondContact NE2-O 2.99Å; Q95-V138 HydrophobicContact CG-CG2 3.87Å
96	R	97.4	Very high	95.4	Very high	87 Å²	87	48.8 Å²	48.8	33%	0.328	27%	0.268	S	S	.	.	H	α-helix	trans	-57.6	-46.7	176.6	-172.5	-167.9	73.9	78	-3.5	111.5	S92 E93 F94 E99 V100	S92-R96 PolarHBondContact O-N 2.8Å; E93-R96 VanDerWaalsContact CD-NE 3.28Å; E93-R96 PolarHBondContact O-N 3.42Å; E93-R96 IonicContact OE1-CZ 2.97Å; E93-R96 VanDerWaalsContact OE1-CZ 3.28Å; E93-R96 IonicContact OE1-NE 3.94Å; E93-R96 PolarHBondContact OE1-NE 3.33Å; E93-R96 VanDerWaalsContact OE1-NE 3.15Å; E93-R96 IonicContact OE1-NH2 3.96Å; E93-R96 PolarHBondContact OE1-NH2 3.44Å; E93-R96 WeakPolarHBondContact OE2-CD 3.41Å; E93-R96 IonicContact OE2-CZ 3.51Å; E93-R96 IonicContact OE2-NE 3.15Å; E93-R96 PolarHBondContact OE2-NE 3.09Å; E93-R96 IonicContact OE2-NH2 3.94Å; F94-R96 PolarHBondContact O-N 3.13Å; R96-E99 PolarHBondContact O-N 3.15Å; R96-V100 WeakPolarHBondContact O-CG2 3.45Å; R96-V100 PolarHBondContact O-N 3.23Å
97	V	96.8	Very high	95.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-66	-40.1	-179	171	0	0	0	0	111.4	Y47 L78 L82 L85 E93 F94 Q95 E99 V100 L101	Y47-V97 WeakPolarHBondContact OH-CG2 3.14Å; L78-V97 HydrophobicContact CD1-CG1 4.09Å; L78-V97 HydrophobicContact CD1-CG2 3.69Å; L78-V97 HydrophobicContact CD2-CG1 3.89Å; L78-V97 HydrophobicContact CD2-CG2 4.44Å; L78-V97 HydrophobicContact CG-CB 4.49Å; L78-V97 HydrophobicContact CG-CG1 3.57Å; L78-V97 HydrophobicContact CG-CG2 4.12Å; L82-V97 HydrophobicContact CD1-CB 3.72Å; L82-V97 HydrophobicContact CD1-CG1 3.6Å; L82-V97 HydrophobicContact CD2-CG1 4.1Å; L82-V97 HydrophobicContact CG-CG1 4.31Å; L85-V97 HydrophobicContact CD1-CG2 4.16Å; E93-V97 HydrophobicContact CG-CG2 4.46Å; E93-V97 WeakPolarHBondContact O-CB 3.35Å; E93-V97 VanDerWaalsContact O-CG2 3.3Å; E93-V97 WeakPolarHBondContact O-CG2 3.3Å; E93-V97 PolarHBondContact O-N 3.21Å; F94-V97 PolarHBondContact O-N 3.38Å; Q95-V97 VanDerWaalsContact C-N 3.34Å; Q95-V97 PolarHBondContact O-N 2.9Å; V97-E99 VanDerWaalsContact C-N 3.26Å; V97-E99 PolarHBondContact O-N 3.16Å; V97-V100 PolarHBondContact O-N 3.23Å; V97-V100 VanDerWaalsContact O-N 3.15Å; V97-L101 HydrophobicContact CG1-CD1 3.91Å; V97-L101 HydrophobicContact CG1-CG 4Å; V97-L101 WeakPolarHBondContact O-CG 3.17Å; V97-L101 PolarHBondContact O-N 3.25Å
98	V	96.8	Very high	94.8	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.018	29%	0.288	C	S	.	.	H	α-helix	trans	-56.8	-40.8	174.8	166.8	0	0	0	0	111.8	L82 F94 Q95 Q102 V138 L150	L82-V98 HydrophobicContact CD1-CG2 4.37Å; L82-V98 HydrophobicContact CD2-CG2 4.06Å; F94-V98 HydrophobicContact CD1-CG2 3.89Å; F94-V98 HydrophobicContact CE1-CG2 3.55Å; F94-V98 HydrophobicContact CZ-CG2 4.16Å; F94-V98 WeakPolarHBondContact O-CG2 3.35Å; F94-V98 PolarHBondContact O-N 2.93Å; Q95-V98 PolarHBondContact O-N 2.79Å; V98-Q102 VanDerWaalsContact CG1-NE2 3.27Å; V98-Q102 WeakPolarHBondContact O-CG 3.4Å; V98-Q102 PolarHBondContact O-N 2.86Å; V98-Q102 PolarHBondContact O-NE2 3.34Å; V98-V138 HydrophobicContact CG1-CG1 4.37Å; V98-L150 HydrophobicContact CG1-CD1 4.1Å; V98-L150 HydrophobicContact CG1-CD2 4.4Å; V98-L150 HydrophobicContact CG1-CG 4.39Å; V98-L150 HydrophobicContact CG2-CD1 3.9Å
99	E	95.5	Very high	94.4	Very high	125 Å²	125	54.9 Å²	54.9	58%	0.584	30%	0.3	S	S	*	.	H	α-helix	trans	-66.3	-48.5	174.2	-67.3	174.2	-177.7	0	0	111.3	Q95 R96 V97 L101 Q102 D103	Q95-E99 PolarHBondContact O-N 3.15Å; R96-E99 PolarHBondContact O-N 3.15Å; V97-E99 VanDerWaalsContact C-N 3.26Å; V97-E99 PolarHBondContact O-N 3.16Å; E99-L101 VanDerWaalsContact C-N 3.33Å; E99-L101 PolarHBondContact O-N 3.2Å; E99-Q102 PolarHBondContact O-N 2.81Å; E99-D103 PolarHBondContact O-N 3.47Å; E99-D103 VanDerWaalsContact O-N 3.09Å
100	V	94.8	Very high	94.1	Very high	26 Å²	26	57.7 Å²	57.7	16%	0.158	30%	0.302	C	S	.	.	H	α-helix	trans	-58.3	-42.2	180	168.7	0	0	0	0	112.3	F55 L78 R96 V97 D103 N104	F55-V100 HydrophobicContact CE2-CG1 4.26Å; F55-V100 HydrophobicContact CZ-CG1 3.95Å; L78-V100 HydrophobicContact CD2-CG1 3.96Å; R96-V100 WeakPolarHBondContact O-CG2 3.45Å; R96-V100 PolarHBondContact O-N 3.23Å; V97-V100 PolarHBondContact O-N 3.23Å; V97-V100 VanDerWaalsContact O-N 3.15Å; V100-D103 PolarHBondContact O-N 2.97Å; V100-N104 WeakPolarHBondContact O-CB 3.28Å; V100-N104 PolarHBondContact O-N 3.28Å; V100-N104 VanDerWaalsContact O-N 3.13Å; V100-N104 PolarHBondContact O-ND2 3.36Å
101	L	93.5	Very high	93.8	Very high	2 Å²	2	58 Å²	58	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-65.4	-44.2	179.5	-69	177.5	0	0	0	111.5	L78 I79 L82 V97 E99 D103 N104 V105 L126 M153	L78-L101 HydrophobicContact CD2-CD2 4.09Å; I79-L101 HydrophobicContact CD1-CD2 4.31Å; I79-L101 HydrophobicContact CG1-CD1 4.08Å; I79-L101 HydrophobicContact CG1-CD2 3.61Å; L82-L101 HydrophobicContact CD2-CD1 3.73Å; V97-L101 HydrophobicContact CG1-CD1 3.91Å; V97-L101 HydrophobicContact CG1-CG 4Å; V97-L101 WeakPolarHBondContact O-CG 3.17Å; V97-L101 PolarHBondContact O-N 3.25Å; E99-L101 VanDerWaalsContact C-N 3.33Å; E99-L101 PolarHBondContact O-N 3.2Å; L101-D103 VanDerWaalsContact C-N 3.26Å; L101-D103 PolarHBondContact O-N 2.91Å; L101-N104 PolarHBondContact O-N 3.05Å; L101-V105 HydrophobicContact CB-CG2 4.44Å; L101-V105 HydrophobicContact CD2-CG2 3.77Å; L101-V105 WeakPolarHBondContact O-CB 3.47Å; L101-V105 PolarHBondContact O-N 3.32Å; L101-L126 HydrophobicContact CD1-CD2 4.4Å; L101-M153 HydrophobicContact CB-CE 4.29Å; L101-M153 WeakPolarHBondContact O-CE 3.5Å
102	Q	92.5	Very high	93.5	Very high	79 Å²	79	59.6 Å²	59.6	37%	0.369	31%	0.312	S	S	.	.	H	α-helix	trans	-63.2	-33.3	178.8	-74.8	173	88	0	0	112.8	V98 E99 P149 L150 M153	V98-Q102 VanDerWaalsContact CG1-NE2 3.27Å; V98-Q102 WeakPolarHBondContact O-CG 3.4Å; V98-Q102 PolarHBondContact O-N 2.86Å; V98-Q102 PolarHBondContact O-NE2 3.34Å; E99-Q102 PolarHBondContact O-N 2.81Å; Q102-P149 HydrophobicContact CG-CB 4.2Å; Q102-P149 VanDerWaalsContact OE1-CG 3.23Å; Q102-L150 HydrophobicContact CG-CD2 4.44Å; Q102-M153 HydrophobicContact CG-SD 3.99Å
103	D	90.3	Very high	93.3	Very high	134 Å²	134	55.5 Å²	55.5	72%	0.717	28%	0.283	S	S	*	.	H	α-helix	trans	-84.1	-24.8	-177.2	-73.6	-15	0	0	0	113.6	E99 V100 L101	E99-D103 PolarHBondContact O-N 3.47Å; E99-D103 VanDerWaalsContact O-N 3.09Å; V100-D103 PolarHBondContact O-N 2.97Å; L101-D103 VanDerWaalsContact C-N 3.26Å; L101-D103 PolarHBondContact O-N 2.91Å
104	N	86.5	Confident	93.1	Very high	117 Å²	117	55 Å²	55	63%	0.626	28%	0.283	S	S	*	.	H	α-helix	trans	-124.2	-15.7	-165.8	-59.4	-75.2	0	0	0	115.8	V100 L101	V100-N104 WeakPolarHBondContact O-CB 3.28Å; V100-N104 PolarHBondContact O-N 3.28Å; V100-N104 VanDerWaalsContact O-N 3.13Å; V100-N104 PolarHBondContact O-ND2 3.36Å; L101-N104 PolarHBondContact O-N 3.05Å
105	V	89.1	Confident	93.1	Very high	27 Å²	27	55 Å²	55	16%	0.164	28%	0.283	C	S	.	.			trans	-93.1	125.7	-178.4	178.2	0	0	0	0	110.8	L101 F107 M153	L101-V105 HydrophobicContact CB-CG2 4.44Å; L101-V105 HydrophobicContact CD2-CG2 3.77Å; L101-V105 WeakPolarHBondContact O-CB 3.47Å; L101-V105 PolarHBondContact O-N 3.32Å; V105-F107 HydrophobicContact CG1-CD1 4.47Å; V105-F107 HydrophobicContact CG1-CE1 3.82Å; V105-F107 HydrophobicContact CG1-CE2 4Å; V105-F107 HydrophobicContact CG1-CZ 3.56Å; V105-M153 HydrophobicContact CB-CE 3.82Å; V105-M153 HydrophobicContact CG1-CE 4.16Å
106	D	88.8	Confident	93.1	Very high	88 Å²	88	53.7 Å²	53.7	47%	0.471	28%	0.276	S	S	.	.			trans	-128.9	131	175.2	-176.2	1.8	0	0	0	109.3	D108	D106-D108 WeakPolarHBondContact OD1-CB 3.3Å; D106-D108 PolarHBondContact OD1-N 3.47Å
107	F	91.6	Very high	93.1	Very high	3 Å²	3	51.3 Å²	51.3	1%	0.013	27%	0.269	C	S	.	.	S	Bend	trans	-97.1	-2.4	178.9	-60.5	-65.7	0	0	0	113	F74 V105 I109 V122 L126 M153 E156 A157 K160 L178	F74-F107 HydrophobicContact CD1-CD1 4.05Å; F74-F107 AromaticContact CD1-CE1 3.99Å; F74-F107 HydrophobicContact CD1-CE1 3.99Å; F74-F107 AromaticContact CE1-CD1 3.93Å; F74-F107 HydrophobicContact CE1-CD1 3.93Å; F74-F107 HydrophobicContact CE1-CE1 4.3Å; F74-F107 HydrophobicContact CG-CE1 4.4Å; V105-F107 HydrophobicContact CG1-CD1 4.47Å; V105-F107 HydrophobicContact CG1-CE1 3.82Å; V105-F107 HydrophobicContact CG1-CE2 4Å; V105-F107 HydrophobicContact CG1-CZ 3.56Å; F107-I109 PolarHBondContact O-N 3.1Å; F107-I109 VanDerWaalsContact O-N 3.09Å; F107-V122 HydrophobicContact CE1-CG1 3.77Å; F107-V122 HydrophobicContact CZ-CG1 3.82Å; F107-L126 HydrophobicContact CE2-CD1 4.44Å; F107-L126 HydrophobicContact CZ-CD1 4.03Å; F107-M153 HydrophobicContact CE2-CB 4.23Å; F107-M153 WeakPolarHBondContact CE2-O 3.46Å; F107-E156 HydrophobicContact CB-CG 4.32Å; F107-E156 HydrophobicContact CD2-CB 4.21Å; F107-E156 HydrophobicContact CD2-CG 4.07Å; F107-A157 HydrophobicContact CD1-CB 4.13Å; F107-A157 HydrophobicContact CD2-CB 4.13Å; F107-A157 HydrophobicContact CE1-CB 3.92Å; F107-A157 HydrophobicContact CE2-CB 3.91Å; F107-A157 HydrophobicContact CG-CB 4.23Å; F107-A157 HydrophobicContact CZ-CB 3.8Å; F107-K160 HydrophobicContact CB-CG 4.28Å; F107-K160 WeakPolarHBondContact O-CE 3.35Å; F107-L178 WeakPolarHBondContact O-CB 3.33Å
108	D	91.8	Very high	93.1	Very high	89 Å²	89	51.5 Å²	51.5	48%	0.476	27%	0.27	S	S	.	.			trans	-82.8	49.1	173.9	-78.5	-30.4	0	0	0	112.5	D106 K160	D106-D108 WeakPolarHBondContact OD1-CB 3.3Å; D106-D108 PolarHBondContact OD1-N 3.47Å; D108-K160 WeakPolarHBondContact OD1-CE 3.26Å; D108-K160 IonicContact OD1-NZ 2.65Å; D108-K160 PolarHBondContact OD1-NZ 2.92Å
109	I	89.8	Confident	93.2	Very high	51 Å²	51	51.4 Å²	51.4	26%	0.262	27%	0.269	S	S	.	.			trans	-113.4	144.7	-177.4	62.3	165.2	0	0	0	113	G72 F74 F107 V111 L178 L179	G72-I109 WeakPolarHBondContact O-CD1 3.31Å; F74-I109 HydrophobicContact CD1-CD1 4.31Å; F74-I109 HydrophobicContact CE1-CD1 3.34Å; F74-I109 HydrophobicContact CE1-CG1 3.97Å; F74-I109 HydrophobicContact CZ-CD1 3.67Å; F74-I109 HydrophobicContact CZ-CG1 4.29Å; F107-I109 PolarHBondContact O-N 3.1Å; F107-I109 VanDerWaalsContact O-N 3.09Å; I109-V111 VanDerWaalsContact C-N 3.28Å; I109-V111 HydrophobicContact CD1-CB 4.22Å; I109-V111 HydrophobicContact CD1-CG1 3.61Å; I109-V111 HydrophobicContact CG1-CB 4.44Å; I109-V111 HydrophobicContact CG1-CG1 3.78Å; I109-V111 PolarHBondContact O-N 3.18Å; I109-L178 HydrophobicContact CG1-CD1 4.25Å; I109-L179 PolarHBondContact O-N 3.03Å
110	D	92.5	Very high	93.3	Very high	112 Å²	112	45.6 Å²	45.6	60%	0.599	24%	0.243	S	C	*	.			trans	-80	75.1	177.3	-176	15.5	0	0	0	110.8	N177 L179 H180	D110-N177 PolarHBondContact OD1-ND2 3.31Å; D110-L179 HydrophobicContact CB-CD2 4.17Å; D110-H180 IonicContact OD1-CD2 3.7Å; D110-H180 PolarHBondContact OD1-CD2 3.28Å; D110-H180 IonicContact OD1-NE2 2.84Å
111	V	91.1	Very high	93.5	Very high	40 Å²	40	45 Å²	45	24%	0.242	24%	0.237	C	C	.	.			trans	-135.2	143.1	176.9	78	0	0	0	0	111.1	F74 I109 N177 L178	F74-V111 HydrophobicContact CZ-CG1 4.08Å; I109-V111 VanDerWaalsContact C-N 3.28Å; I109-V111 HydrophobicContact CD1-CB 4.22Å; I109-V111 HydrophobicContact CD1-CG1 3.61Å; I109-V111 HydrophobicContact CG1-CB 4.44Å; I109-V111 HydrophobicContact CG1-CG1 3.78Å; I109-V111 PolarHBondContact O-N 3.18Å; V111-N177 CarbonylContact O-C 3.54Å; V111-N177 VanDerWaalsContact O-CA 3.25Å; V111-N177 WeakPolarHBondContact O-CA 3.31Å; V111-L178 HydrophobicContact CG1-CD1 3.99Å; V111-L178 HydrophobicContact CG1-CG 4.11Å; V111-L178 PolarHBondContact O-N 2.92Å
112	N	92.1	Very high	93.7	Very high	86 Å²	86	45 Å²	45	46%	0.46	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	118.8	169.6	-66.2	-32.5	0	0	0	108.9	T175 N177 N183	N112-T175 HydrophobicContact CB-CG2 3.95Å; N112-N177 WeakPolarHBondContact OD1-CB 3.39Å; N112-N177 PolarHBondContact OD1-ND2 3.09Å; N112-N183 PolarHBondContact ND2-ND2 3.01Å; N112-N183 PolarHBondContact OD1-ND2 3.37Å
113	A	93.2	Very high	94	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	144.2	-179.8	0	0	0	0	0	110.6	V115 T175 V176 L178	A113-V115 PolarHBondContact O-N 3.15Å; A113-T175 WeakPolarHBondContact O-CA 3.42Å; A113-T175 VanDerWaalsContact O-CG2 3.23Å; A113-T175 WeakPolarHBondContact O-CG2 3.16Å; A113-V176 PolarHBondContact N-O 3.06Å; A113-V176 PolarHBondContact O-N 3.27Å; A113-L178 HydrophobicContact CB-CD1 4.49Å; A113-L178 HydrophobicContact CB-CD2 3.91Å; A113-L178 HydrophobicContact CB-CG 4.13Å
114	S	95.5	Very high	94.4	Very high	19 Å²	19	34.8 Å²	34.8	13%	0.133	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	126.9	169.6	167.6	0	0	0	0	109.2	W71 F116 E117 T118	W71-S114 VanDerWaalsContact CZ3-CB 3.44Å; S114-F116 VanDerWaalsContact C-N 3.32Å; S114-F116 PolarHBondContact O-N 3.03Å; S114-E117 WeakPolarHBondContact OG-CG 3.43Å; S114-E117 PolarHBondContact OG-N 2.89Å; S114-T118 VanDerWaalsContact O-CB 3.24Å; S114-T118 WeakPolarHBondContact O-CB 3.32Å; S114-T118 PolarHBondContact O-N 3.28Å; S114-T118 PolarHBondContact O-OG1 3.37Å
115	V	97.8	Very high	94.9	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	16%	0.156	C	C	.	.	H	α-helix	trans	-66.1	-40.5	-178.1	179.8	0	0	0	0	110.6	A113 N119 L161 A164 F165 P172 Y173 G174 V176 F198	A113-V115 PolarHBondContact O-N 3.15Å; V115-N119 WeakPolarHBondContact O-CB 3.41Å; V115-N119 PolarHBondContact O-N 3.49Å; V115-L161 HydrophobicContact CG1-CB 4.24Å; V115-A164 HydrophobicContact CG1-CB 4.14Å; V115-A164 HydrophobicContact CG2-CB 3.62Å; V115-F165 HydrophobicContact CG1-CE2 4.31Å; V115-P172 HydrophobicContact CG1-CB 4.48Å; V115-Y173 WeakPolarHBondContact CG2-O 3.38Å; V115-G174 PolarHBondContact N-O 3.42Å; V115-V176 HydrophobicContact CG2-CB 3.95Å; V115-V176 HydrophobicContact CG2-CG1 3.77Å; V115-F198 HydrophobicContact CG1-CE1 3.79Å; V115-F198 HydrophobicContact CG1-CZ 3.74Å
116	F	98.1	Very high	95.4	Very high	38 Å²	38	28 Å²	28	17%	0.167	15%	0.149	C	C	.	.	H	α-helix	trans	-66.5	-54	177.6	171	-101	0	0	0	111.8	S114 T118 N119 I120 A193 T197	S114-F116 VanDerWaalsContact C-N 3.32Å; S114-F116 PolarHBondContact O-N 3.03Å; F116-T118 PolarHBondContact O-N 3.16Å; F116-N119 PolarHBondContact O-N 3.02Å; F116-I120 HydrophobicContact CD1-CD1 4.17Å; F116-I120 HydrophobicContact CD2-CG2 4.44Å; F116-I120 HydrophobicContact CE1-CD1 3.55Å; F116-I120 HydrophobicContact CE2-CD1 4.32Å; F116-I120 HydrophobicContact CE2-CG2 4.21Å; F116-I120 HydrophobicContact CZ-CD1 3.64Å; F116-I120 PolarHBondContact O-N 2.89Å; F116-I120 VanDerWaalsContact O-N 3.09Å; F116-A193 HydrophobicContact CE2-CB 4.46Å; F116-T197 HydrophobicContact CD2-CG2 4.43Å; F116-T197 HydrophobicContact CE2-CG2 3.76Å
117	E	96.8	Very high	95.9	Very high	38 Å²	38	23.9 Å²	23.9	18%	0.178	13%	0.126	C	C	.	.	H	α-helix	trans	-65.3	-41.3	-175.7	-61.9	-67.5	162.1	0	0	111.3	W71 S114 N119 I120 R121	W71-E117 HydrophobicContact CD2-CB 4.26Å; W71-E117 HydrophobicContact CD2-CG 4.31Å; W71-E117 HydrophobicContact CH2-CG 4.17Å; W71-E117 HydrophobicContact CZ2-CG 3.83Å; S114-E117 WeakPolarHBondContact OG-CG 3.43Å; S114-E117 PolarHBondContact OG-N 2.89Å; E117-N119 VanDerWaalsContact C-N 3.28Å; E117-N119 PolarHBondContact O-N 3.36Å; E117-I120 PolarHBondContact O-N 2.92Å; E117-R121 WeakPolarHBondContact O-CB 3.31Å; E117-R121 WeakPolarHBondContact O-CG 3.39Å; E117-R121 PolarHBondContact O-N 2.89Å; E117-R121 IonicContact OE2-CZ 3.28Å; E117-R121 IonicContact OE2-NE 3.05Å; E117-R121 PolarHBondContact OE2-NE 3.38Å; E117-R121 IonicContact OE2-NH2 2.81Å; E117-R121 PolarHBondContact OE2-NH2 3.03Å
118	T	97.3	Very high	96.2	Very high	4 Å²	4	23.7 Å²	23.7	3%	0.025	13%	0.126	C	C	.	.	I	π-helix	trans	-63.2	-36.6	177.4	-51.9	0	0	0	0	111.3	S114 F116 V122 V123 L161	S114-T118 VanDerWaalsContact O-CB 3.24Å; S114-T118 WeakPolarHBondContact O-CB 3.32Å; S114-T118 PolarHBondContact O-N 3.28Å; S114-T118 PolarHBondContact O-OG1 3.37Å; F116-T118 PolarHBondContact O-N 3.16Å; T118-V122 HydrophobicContact CG2-CB 4.14Å; T118-V122 HydrophobicContact CG2-CG2 4.28Å; T118-V122 WeakPolarHBondContact O-CA 3.4Å; T118-V122 VanDerWaalsContact O-CB 3.29Å; T118-V122 WeakPolarHBondContact O-CB 3.31Å; T118-V122 PolarHBondContact O-N 3.26Å; T118-V123 PolarHBondContact O-N 2.94Å; T118-L161 HydrophobicContact CG2-CD1 4.35Å; T118-L161 HydrophobicContact CG2-CD2 4.11Å
119	N	98.7	Very high	96.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.103	C	C	.	.	I	π-helix	trans	-67.2	-54.8	177.5	179	64.7	0	0	0	111.9	V115 F116 E117 R121 V123 G124 L161 T197 F198 E201 F202	V115-N119 WeakPolarHBondContact O-CB 3.41Å; V115-N119 PolarHBondContact O-N 3.49Å; F116-N119 PolarHBondContact O-N 3.02Å; E117-N119 VanDerWaalsContact C-N 3.28Å; E117-N119 PolarHBondContact O-N 3.36Å; N119-R121 VanDerWaalsContact C-N 3.35Å; N119-R121 PolarHBondContact O-N 2.89Å; N119-V123 WeakPolarHBondContact O-CB 3.48Å; N119-V123 PolarHBondContact O-N 2.67Å; N119-G124 PolarHBondContact O-N 2.69Å; N119-L161 HydrophobicContact CB-CD1 4.06Å; N119-T197 PolarHBondContact ND2-O 3.18Å; N119-F198 HydrophobicContact CB-CD1 3.78Å; N119-F198 HydrophobicContact CB-CE1 3.66Å; N119-F198 VanDerWaalsContact CG-CD1 3.5Å; N119-E201 VanDerWaalsContact ND2-CD 3.26Å; N119-E201 PolarHBondContact ND2-OE2 3.41Å; N119-E201 WeakPolarHBondContact OD1-CB 3.41Å; N119-F202 WeakPolarHBondContact OD1-CD1 3.32Å; N119-F202 WeakPolarHBondContact OD1-CE1 2.97Å
120	I	98.6	Very high	96.9	Very high	4 Å²	4	17.2 Å²	17.2	2%	0.021	9%	0.091	C	C	.	.	I	π-helix	trans	-70.9	-33.2	-171.4	70.2	-178.1	0	0	0	111.9	F116 E117 T197 N474 T475 E476 H478	F116-I120 HydrophobicContact CD1-CD1 4.17Å; F116-I120 HydrophobicContact CD2-CG2 4.44Å; F116-I120 HydrophobicContact CE1-CD1 3.55Å; F116-I120 HydrophobicContact CE2-CD1 4.32Å; F116-I120 HydrophobicContact CE2-CG2 4.21Å; F116-I120 HydrophobicContact CZ-CD1 3.64Å; F116-I120 PolarHBondContact O-N 2.89Å; F116-I120 VanDerWaalsContact O-N 3.09Å; E117-I120 PolarHBondContact O-N 2.92Å; I120-T197 HydrophobicContact CG2-CG2 3.91Å; I120-N474 PolarHBondContact O-ND2 3.34Å; I120-T475 HydrophobicContact CB-CG2 3.87Å; I120-T475 HydrophobicContact CD1-CG2 3.93Å; I120-T475 HydrophobicContact CG1-CG2 4.47Å; I120-T475 HydrophobicContact CG2-CG2 3.58Å; I120-E476 HydrophobicContact CB-CB 4.19Å; I120-E476 WeakPolarHBondContact CD1-OE2 3.32Å; I120-E476 HydrophobicContact CG1-CB 4.29Å; I120-E476 WeakPolarHBondContact O-CB 3.28Å; I120-H478 PolarHBondContact O-CD2 3.36Å; I120-H478 VanDerWaalsContact O-CD2 3.22Å
121	R	98	Very high	97.2	Very high	13 Å²	13	12.7 Å²	12.7	5%	0.049	7%	0.067	C	C	.	.	I	π-helix	trans	-89.1	-63.5	-178.7	-61	-179.2	-175.9	-70.2	-23.4	112.6	L76 D80 E117 N119 G125 S427 E476	L76-R121 HydrophobicContact CD1-CB 3.72Å; L76-R121 HydrophobicContact CD1-CG 4.37Å; D80-R121 WeakPolarHBondContact OD1-CA 3.49Å; D80-R121 WeakPolarHBondContact OD1-CB 3.31Å; D80-R121 IonicContact OD2-NH1 3.2Å; D80-R121 PolarHBondContact OD2-NH1 2.91Å; E117-R121 WeakPolarHBondContact O-CB 3.31Å; E117-R121 WeakPolarHBondContact O-CG 3.39Å; E117-R121 PolarHBondContact O-N 2.89Å; E117-R121 IonicContact OE2-CZ 3.28Å; E117-R121 IonicContact OE2-NE 3.05Å; E117-R121 PolarHBondContact OE2-NE 3.38Å; E117-R121 IonicContact OE2-NH2 2.81Å; E117-R121 PolarHBondContact OE2-NH2 3.03Å; N119-R121 VanDerWaalsContact C-N 3.35Å; N119-R121 PolarHBondContact O-N 2.89Å; R121-G125 WeakPolarHBondContact O-CA 3.35Å; R121-G125 PolarHBondContact O-N 2.94Å; R121-S427 PolarHBondContact NH1-OG 3.48Å; R121-E476 HydrophobicContact CG-CG 3.99Å; R121-E476 IonicContact CZ-OE1 2.69Å; R121-E476 IonicContact CZ-OE2 2.67Å; R121-E476 IonicContact NH1-OE1 2.63Å; R121-E476 PolarHBondContact NH1-OE1 3.33Å; R121-E476 IonicContact NH1-OE2 2.94Å; R121-E476 IonicContact NH2-OE1 2.89Å; R121-E476 PolarHBondContact NH2-OE1 3.33Å; R121-E476 IonicContact NH2-OE2 3.23Å; R121-E476 PolarHBondContact NH2-OE2 3.19Å; R121-E476 VanDerWaalsContact NH2-OE2 3.17Å
122	V	97.5	Very high	97.5	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.006	6%	0.056	C	C	.	.	I	π-helix	trans	-75.5	-54.3	-171.7	-178.7	0	0	0	0	111.2	F74 L76 I79 F107 T118 L126 A157	F74-V122 HydrophobicContact CD2-CG2 4.42Å; L76-V122 HydrophobicContact CD1-CG2 3.91Å; I79-V122 HydrophobicContact CD1-CG1 4.14Å; F107-V122 HydrophobicContact CE1-CG1 3.77Å; F107-V122 HydrophobicContact CZ-CG1 3.82Å; T118-V122 HydrophobicContact CG2-CB 4.14Å; T118-V122 HydrophobicContact CG2-CG2 4.28Å; T118-V122 WeakPolarHBondContact O-CA 3.4Å; T118-V122 VanDerWaalsContact O-CB 3.29Å; T118-V122 WeakPolarHBondContact O-CB 3.31Å; T118-V122 PolarHBondContact O-N 3.26Å; V122-L126 HydrophobicContact CG1-CD1 3.88Å; V122-L126 VanDerWaalsContact O-CB 3.31Å; V122-L126 WeakPolarHBondContact O-CB 3.2Å; V122-L126 WeakPolarHBondContact O-CD1 3.33Å; V122-L126 WeakPolarHBondContact O-CG 3.37Å; V122-L126 PolarHBondContact O-N 3.42Å; V122-A157 HydrophobicContact CG1-CB 4.24Å
123	V	98.7	Very high	97.8	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.036	C	C	.	.	I	π-helix	trans	-66.3	-46.8	180	-177.8	0	0	0	0	110	T118 N119 L127 A154 A157 A158 E201 L205	T118-V123 PolarHBondContact O-N 2.94Å; N119-V123 WeakPolarHBondContact O-CB 3.48Å; N119-V123 PolarHBondContact O-N 2.67Å; V123-L127 HydrophobicContact CG1-CD1 3.96Å; V123-L127 HydrophobicContact CG1-CG 4.34Å; V123-L127 WeakPolarHBondContact O-CB 3.28Å; V123-L127 WeakPolarHBondContact O-CG 3.08Å; V123-L127 PolarHBondContact O-N 2.75Å; V123-A154 HydrophobicContact CG1-CB 4.5Å; V123-A157 HydrophobicContact CG2-CB 4.07Å; V123-A158 HydrophobicContact CG1-CB 4.27Å; V123-A158 HydrophobicContact CG2-CB 4.03Å; V123-E201 HydrophobicContact CG1-CB 4.01Å; V123-E201 HydrophobicContact CG1-CG 4.49Å; V123-L205 HydrophobicContact CG1-CD1 3.61Å; V123-L205 HydrophobicContact CG1-CG 4.35Å
124	G	98.7	Very high	97.9	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-57.5	-50.1	176.4	0	0	0	0	0	113.4	N119 L127 S128 H478	N119-G124 PolarHBondContact O-N 2.69Å; G124-L127 PolarHBondContact O-N 3.41Å; G124-S128 PolarHBondContact O-N 2.89Å; G124-H478 VanDerWaalsContact C-CD2 3.47Å
125	G	98.5	Very high	97.8	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.01	7%	0.067	C	C	.	.	H	α-helix	trans	-64	-44.6	-179.7	0	0	0	0	0	112.9	R121 S128 A129 H478	R121-G125 WeakPolarHBondContact O-CA 3.35Å; R121-G125 PolarHBondContact O-N 2.94Å; G125-S128 PolarHBondContact O-N 3.17Å; G125-A129 VanDerWaalsContact O-CB 3.28Å; G125-A129 WeakPolarHBondContact O-CB 3.38Å; G125-A129 PolarHBondContact O-N 3.21Å; G125-H478 PolarHBondContact N-CD2 3.21Å
126	L	98.7	Very high	97.8	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-64.8	-40.6	176.3	-70.3	170.9	0	0	0	112.3	I79 L101 F107 V122 H130 L150 M153 A154	I79-L126 HydrophobicContact CG2-CG 4.24Å; L101-L126 HydrophobicContact CD1-CD2 4.4Å; F107-L126 HydrophobicContact CE2-CD1 4.44Å; F107-L126 HydrophobicContact CZ-CD1 4.03Å; V122-L126 HydrophobicContact CG1-CD1 3.88Å; V122-L126 VanDerWaalsContact O-CB 3.31Å; V122-L126 WeakPolarHBondContact O-CB 3.2Å; V122-L126 WeakPolarHBondContact O-CD1 3.33Å; V122-L126 WeakPolarHBondContact O-CG 3.37Å; V122-L126 PolarHBondContact O-N 3.42Å; L126-H130 VanDerWaalsContact O-CB 3.26Å; L126-H130 WeakPolarHBondContact O-CB 3.5Å; L126-H130 PolarHBondContact O-N 2.91Å; L126-L150 HydrophobicContact CD2-CD2 4.19Å; L126-M153 HydrophobicContact CD1-CB 3.99Å; L126-M153 HydrophobicContact CD2-CB 4.48Å; L126-M153 HydrophobicContact CD2-CE 4.46Å; L126-A154 HydrophobicContact CB-CB 3.77Å; L126-A154 HydrophobicContact CD1-CB 4.4Å
127	L	98.8	Very high	97.7	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.4	-46.9	175	-77	174.6	0	0	0	111.6	V123 G124 H130 L131 L151 A154 E201 T204 L205 L208 I480	V123-L127 HydrophobicContact CG1-CD1 3.96Å; V123-L127 HydrophobicContact CG1-CG 4.34Å; V123-L127 WeakPolarHBondContact O-CB 3.28Å; V123-L127 WeakPolarHBondContact O-CG 3.08Å; V123-L127 PolarHBondContact O-N 2.75Å; G124-L127 PolarHBondContact O-N 3.41Å; L127-H130 WeakPolarHBondContact O-CB 3.5Å; L127-H130 PolarHBondContact O-N 3.36Å; L127-L131 VanDerWaalsContact O-CG 3.31Å; L127-L131 WeakPolarHBondContact O-CG 3.19Å; L127-L131 PolarHBondContact O-N 3.29Å; L127-L151 HydrophobicContact CD2-CD1 3.87Å; L127-A154 HydrophobicContact CD2-CB 4.09Å; L127-A154 HydrophobicContact CG-CB 4.08Å; L127-E201 HydrophobicContact CD1-CB 3.94Å; L127-E201 HydrophobicContact CD1-CG 4.4Å; L127-T204 HydrophobicContact CD1-CG2 4.04Å; L127-T204 HydrophobicContact CD2-CG2 4.09Å; L127-L205 HydrophobicContact CD1-CG 4.13Å; L127-L205 HydrophobicContact CD2-CD2 3.78Å; L127-L205 HydrophobicContact CD2-CG 4.05Å; L127-L205 HydrophobicContact CG-CG 4.48Å; L127-L208 HydrophobicContact CD2-CD1 4.18Å; L127-I480 HydrophobicContact CB-CD1 4.07Å
128	S	98.6	Very high	97.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64.6	-46	179.2	-173	0	0	0	0	111.7	G124 G125 H130 L131 L132 P479	G124-S128 PolarHBondContact O-N 2.89Å; G125-S128 PolarHBondContact O-N 3.17Å; S128-H130 VanDerWaalsContact C-N 3.32Å; S128-H130 PolarHBondContact O-N 3.3Å; S128-L131 PolarHBondContact O-N 2.93Å; S128-L131 VanDerWaalsContact O-N 3.16Å; S128-L132 WeakPolarHBondContact O-CB 3.38Å; S128-L132 VanDerWaalsContact O-CG 3.3Å; S128-L132 WeakPolarHBondContact O-CG 3.42Å; S128-L132 PolarHBondContact O-N 2.68Å; S128-P479 WeakPolarHBondContact CB-O 3.28Å; S128-P479 WeakPolarHBondContact OG-CD 3.19Å; S128-P479 WeakPolarHBondContact OG-CG 3.41Å; S128-P479 PolarHBondContact OG-O 3.36Å
129	A	98.4	Very high	97.5	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.2	-41.4	175.5	0	0	0	0	0	112.4	L82 F94 G125 L131 L132 S133 L150	L82-A129 HydrophobicContact CB-CB 4.46Å; L82-A129 HydrophobicContact CD2-CB 3.35Å; L82-A129 HydrophobicContact CG-CB 3.76Å; F94-A129 HydrophobicContact CE2-CB 4.42Å; F94-A129 HydrophobicContact CZ-CB 4.17Å; G125-A129 VanDerWaalsContact O-CB 3.28Å; G125-A129 WeakPolarHBondContact O-CB 3.38Å; G125-A129 PolarHBondContact O-N 3.21Å; A129-L131 PolarHBondContact O-N 2.82Å; A129-L132 PolarHBondContact O-N 2.84Å; A129-S133 PolarHBondContact O-N 3.14Å; A129-S133 PolarHBondContact O-OG 2.63Å; A129-L150 HydrophobicContact CB-CD1 3.95Å
130	H	98.5	Very high	97.3	Very high	3 Å²	3	26.3 Å²	26.3	1%	0.014	14%	0.14	C	C	.	.	H	α-helix	trans	-57.9	-48.3	173.6	173.4	68.3	0	0	0	112.1	L126 L127 S128 L132 S133 W144 P145 S147 L150	L126-H130 VanDerWaalsContact O-CB 3.26Å; L126-H130 WeakPolarHBondContact O-CB 3.5Å; L126-H130 PolarHBondContact O-N 2.91Å; L127-H130 WeakPolarHBondContact O-CB 3.5Å; L127-H130 PolarHBondContact O-N 3.36Å; S128-H130 VanDerWaalsContact C-N 3.32Å; S128-H130 PolarHBondContact O-N 3.3Å; H130-L132 VanDerWaalsContact C-N 3.27Å; H130-L132 PolarHBondContact O-N 3.47Å; H130-S133 WeakPolarHBondContact O-CB 3.21Å; H130-S133 PolarHBondContact O-N 2.83Å; H130-W144 AromaticContact CE1-CD1 3.36Å; H130-W144 AromaticContact CE1-NE1 3.75Å; H130-W144 AromaticContact ND1-CD1 3.93Å; H130-W144 AromaticContact NE2-CD1 3.87Å; H130-W144 AromaticContact NE2-NE1 3.98Å; H130-W144 PolarHBondContact O-NE1 3.02Å; H130-P145 PolarHBondContact NE2-O 2.9Å; H130-S147 PolarHBondContact CE1-O 2.91Å; H130-L150 HydrophobicContact CB-CB 3.81Å
131	L	97.9	Very high	97.1	Very high	18 Å²	18	29.7 Å²	29.7	9%	0.094	16%	0.156	C	C	.	.	H	α-helix	trans	-68.8	-26.5	-179.9	-67.1	177.7	0	0	0	112.8	L127 S128 A129 W144 P145 L208 I480 A484	L127-L131 VanDerWaalsContact O-CG 3.31Å; L127-L131 WeakPolarHBondContact O-CG 3.19Å; L127-L131 PolarHBondContact O-N 3.29Å; S128-L131 PolarHBondContact O-N 2.93Å; S128-L131 VanDerWaalsContact O-N 3.16Å; A129-L131 PolarHBondContact O-N 2.82Å; L131-W144 WeakPolarHBondContact O-CZ2 3.5Å; L131-P145 HydrophobicContact CD2-CB 4.2Å; L131-L208 HydrophobicContact CD2-CD1 4.09Å; L131-L208 HydrophobicContact CD2-CD2 4.43Å; L131-I480 HydrophobicContact CD1-CD1 4.22Å; L131-I480 HydrophobicContact CD1-CG2 3.97Å; L131-A484 HydrophobicContact CD2-CB 3.5Å
132	L	97.5	Very high	96.8	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-90.6	-13.4	178.5	-71	178.2	0	0	0	113.7	D83 L86 F94 S128 A129 H130 K134 K135 A136 F446 P479	D83-L132 HydrophobicContact CB-CD1 3.74Å; L86-L132 HydrophobicContact CD2-CB 3.65Å; L86-L132 HydrophobicContact CD2-CD1 4.18Å; L86-L132 HydrophobicContact CD2-CD2 4.03Å; L86-L132 HydrophobicContact CD2-CG 4.16Å; F94-L132 HydrophobicContact CE2-CB 4.44Å; F94-L132 HydrophobicContact CZ-CB 4.33Å; S128-L132 WeakPolarHBondContact O-CB 3.38Å; S128-L132 VanDerWaalsContact O-CG 3.3Å; S128-L132 WeakPolarHBondContact O-CG 3.42Å; S128-L132 PolarHBondContact O-N 2.68Å; A129-L132 PolarHBondContact O-N 2.84Å; H130-L132 VanDerWaalsContact C-N 3.27Å; H130-L132 PolarHBondContact O-N 3.47Å; L132-K134 PolarHBondContact O-N 2.58Å; L132-K135 WeakPolarHBondContact O-CA 3.35Å; L132-K135 WeakPolarHBondContact O-CB 3.27Å; L132-K135 PolarHBondContact O-N 3.48Å; L132-A136 PolarHBondContact O-N 3.49Å; L132-F446 HydrophobicContact CD2-CE2 3.83Å; L132-F446 HydrophobicContact CD2-CZ 4.11Å; L132-P479 HydrophobicContact CD1-CG 4.17Å
133	S	97.4	Very high	96.4	Very high	5 Å²	5	33.1 Å²	33.1	4%	0.035	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-46	-172.9	-73.9	0	0	0	0	113.6	A129 H130 K135 A136 G137 V138	A129-S133 PolarHBondContact O-N 3.14Å; A129-S133 PolarHBondContact O-OG 2.63Å; H130-S133 WeakPolarHBondContact O-CB 3.21Å; H130-S133 PolarHBondContact O-N 2.83Å; S133-K135 VanDerWaalsContact C-N 3.31Å; S133-K135 PolarHBondContact O-N 2.77Å; S133-A136 CarbonylContact O-C 3.55Å; S133-A136 PolarHBondContact O-N 2.86Å; S133-G137 PolarHBondContact O-N 3.05Å; S133-V138 WeakPolarHBondContact O-CB 3.3Å; S133-V138 PolarHBondContact O-N 3.27Å
134	K	95.3	Very high	96.2	Very high	87 Å²	87	33.8 Å²	33.8	38%	0.378	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-38.3	178.6	-174.5	169.2	-176	158.5	0	112.3	L132 A136 G137 V140 W144 V457	L132-K134 PolarHBondContact O-N 2.58Å; K134-A136 VanDerWaalsContact C-N 3.32Å; K134-G137 PolarHBondContact O-N 3.06Å; K134-G137 VanDerWaalsContact O-N 3.07Å; K134-V140 HydrophobicContact CB-CG1 4.11Å; K134-V140 HydrophobicContact CB-CG2 4.42Å; K134-V140 HydrophobicContact CD-CG2 4.3Å; K134-V140 HydrophobicContact CG-CG2 4.42Å; K134-W144 HydrophobicContact CB-CD2 4.42Å; K134-W144 HydrophobicContact CB-CE3 4.37Å; K134-W144 HydrophobicContact CB-CH2 3.69Å; K134-W144 HydrophobicContact CB-CZ2 3.71Å; K134-W144 HydrophobicContact CB-CZ3 4.04Å; K134-W144 HydrophobicContact CD-CE3 3.86Å; K134-W144 HydrophobicContact CD-CH2 3.93Å; K134-W144 HydrophobicContact CD-CZ3 3.48Å; K134-W144 VanDerWaalsContact CD-CZ3 3.48Å; K134-W144 HydrophobicContact CG-CH2 4.42Å; K134-W144 HydrophobicContact CG-CZ3 4.4Å; K134-V457 HydrophobicContact CD-CG2 3.88Å
135	K	94.9	Very high	96.1	Very high	93 Å²	93	33.8 Å²	33.8	40%	0.404	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-34.1	177.2	-171.4	172.3	-163.1	67.9	0	111.7	L86 L132 S133 G137 F446	L86-K135 HydrophobicContact CD2-CB 4.27Å; L86-K135 HydrophobicContact CD2-CG 4.41Å; L132-K135 WeakPolarHBondContact O-CA 3.35Å; L132-K135 WeakPolarHBondContact O-CB 3.27Å; L132-K135 PolarHBondContact O-N 3.48Å; S133-K135 VanDerWaalsContact C-N 3.31Å; S133-K135 PolarHBondContact O-N 2.77Å; K135-G137 PolarHBondContact O-N 3.22Å; K135-F446 HydrophobicContact CD-CD1 4.37Å; K135-F446 HydrophobicContact CD-CD2 3.69Å; K135-F446 HydrophobicContact CD-CE1 4.4Å; K135-F446 HydrophobicContact CD-CE2 3.73Å; K135-F446 HydrophobicContact CD-CG 4.03Å; K135-F446 HydrophobicContact CD-CZ 4.1Å
136	A	96.4	Very high	95.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	7.7	169.9	0	0	0	0	0	113.3	L86 V91 F94 Q95 L132 S133 K134 V138	L86-A136 HydrophobicContact CD1-CB 3.83Å; L86-A136 HydrophobicContact CD2-CB 4.14Å; V91-A136 HydrophobicContact CG1-CB 4.48Å; V91-A136 WeakPolarHBondContact CG1-O 3.5Å; F94-A136 HydrophobicContact CB-CB 4.45Å; F94-A136 HydrophobicContact CD1-CB 3.24Å; F94-A136 HydrophobicContact CD2-CB 4.36Å; F94-A136 HydrophobicContact CE1-CB 3.43Å; F94-A136 VanDerWaalsContact CE1-CB 3.43Å; F94-A136 HydrophobicContact CG-CB 3.77Å; F94-A136 HydrophobicContact CZ-CB 4.09Å; Q95-A136 PolarHBondContact NE2-O 3.29Å; L132-A136 PolarHBondContact O-N 3.49Å; S133-A136 CarbonylContact O-C 3.55Å; S133-A136 PolarHBondContact O-N 2.86Å; K134-A136 VanDerWaalsContact C-N 3.32Å; A136-V138 HydrophobicContact CB-CG2 4.35Å; A136-V138 PolarHBondContact O-N 2.92Å; A136-V138 VanDerWaalsContact O-N 3.12Å
137	G	96	Very high	95.7	Very high	49 Å²	49	36.4 Å²	36.4	51%	0.505	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	18	178.1	0	0	0	0	0	114.7	Q95 S133 K134 K135	Q95-G137 PolarHBondContact NE2-O 2.99Å; S133-G137 PolarHBondContact O-N 3.05Å; K134-G137 PolarHBondContact O-N 3.06Å; K134-G137 VanDerWaalsContact O-N 3.07Å; K135-G137 PolarHBondContact O-N 3.22Å
138	V	96.2	Very high	95.6	Very high	32 Å²	32	36.5 Å²	36.5	19%	0.194	21%	0.209	C	C	.	.			trans	-66.9	138.4	168.8	177.9	0	0	0	0	108.2	F94 Q95 V98 S133 A136 V140	F94-V138 HydrophobicContact CD1-CG2 4.02Å; F94-V138 HydrophobicContact CE1-CG2 3.88Å; Q95-V138 HydrophobicContact CG-CG2 3.87Å; V98-V138 HydrophobicContact CG1-CG1 4.37Å; S133-V138 WeakPolarHBondContact O-CB 3.3Å; S133-V138 PolarHBondContact O-N 3.27Å; A136-V138 HydrophobicContact CB-CG2 4.35Å; A136-V138 PolarHBondContact O-N 2.92Å; A136-V138 VanDerWaalsContact O-N 3.12Å; V138-V140 PolarHBondContact O-N 3.11Å; V138-V140 VanDerWaalsContact O-N 3.15Å
139	E	94.3	Very high	95.5	Very high	194 Å²	194	38.2 Å²	38.2	91%	0.907	22%	0.22	S	C	*	.			trans	-66.9	113.3	170.7	-66.6	-149.2	150.8	0	0	109.7
140	V	94.9	Very high	95.5	Very high	50 Å²	50	38.3 Å²	38.3	30%	0.303	22%	0.221	S	C	.	.			trans	-98.4	146.4	-178.8	-63.3	0	0	0	0	111.6	K134 V138 W144	K134-V140 HydrophobicContact CB-CG1 4.11Å; K134-V140 HydrophobicContact CB-CG2 4.42Å; K134-V140 HydrophobicContact CD-CG2 4.3Å; K134-V140 HydrophobicContact CG-CG2 4.42Å; V138-V140 PolarHBondContact O-N 3.11Å; V138-V140 VanDerWaalsContact O-N 3.15Å; V140-W144 HydrophobicContact CB-CB 3.81Å; V140-W144 HydrophobicContact CB-CD2 4.33Å; V140-W144 HydrophobicContact CB-CG 3.75Å; V140-W144 HydrophobicContact CG1-CD2 4.31Å; V140-W144 HydrophobicContact CG1-CG 3.98Å; V140-W144 HydrophobicContact CG2-CB 4Å; V140-W144 HydrophobicContact CG2-CD2 4.23Å; V140-W144 HydrophobicContact CG2-CE3 4.46Å; V140-W144 HydrophobicContact CG2-CG 4.03Å
141	E	94.1	Very high	95.5	Very high	75 Å²	75	38.4 Å²	38.4	35%	0.35	22%	0.221	S	C	.	.			trans	-60.9	154.4	173.8	-65	176.6	-177	0	0	111.5	G143 W144 S147 R152	E141-G143 PolarHBondContact O-N 3.48Å; E141-G143 VanDerWaalsContact O-N 3.1Å; E141-W144 VanDerWaalsContact O-CB 3.23Å; E141-W144 WeakPolarHBondContact O-CB 3.26Å; E141-W144 PolarHBondContact O-N 3.28Å; E141-S147 PolarHBondContact OE2-OG 3.15Å; E141-R152 IonicContact OE1-CZ 2.63Å; E141-R152 IonicContact OE1-NH1 3.12Å; E141-R152 PolarHBondContact OE1-NH1 3.05Å; E141-R152 VanDerWaalsContact OE1-NH1 3.15Å; E141-R152 IonicContact OE1-NH2 3.28Å; E141-R152 PolarHBondContact OE1-NH2 3.34Å; E141-R152 IonicContact OE2-CZ 3.57Å; E141-R152 IonicContact OE2-NH1 3.49Å; E141-R152 PolarHBondContact OE2-NH1 2.75Å; E141-R152 IonicContact OE2-NH2 3.39Å
142	A	90.4	Very high	95.5	Very high	76 Å²	76	43.1 Å²	43.1	63%	0.628	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-30.8	-179.1	0	0	0	0	0	113.6	W144 P460	A142-W144 VanDerWaalsContact C-N 3.31Å; A142-W144 PolarHBondContact O-N 3.19Å; A142-P460 HydrophobicContact CB-CG 4.18Å; A142-P460 WeakPolarHBondContact O-CD 3.39Å
143	G	90.3	Very high	95.5	Very high	9 Å²	9	44 Å²	44	9%	0.093	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-2	179.2	0	0	0	0	0	115	E141 C146 S147	E141-G143 PolarHBondContact O-N 3.48Å; E141-G143 VanDerWaalsContact O-N 3.1Å; G143-C146 CarbonylContact O-C 3.6Å; G143-C146 WeakPolarHBondContact O-CA 3.39Å; G143-C146 PolarHBondContact O-N 3.36Å; G143-S147 VanDerWaalsContact C-OG 3.26Å; G143-S147 WeakPolarHBondContact CA-OG 3.42Å; G143-S147 PolarHBondContact O-N 2.61Å
144	W	95.3	Very high	95.6	Very high	14 Å²	14	43.7 Å²	43.7	5%	0.053	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	139.6	177	-176	97.5	0	0	0	111.4	H130 L131 K134 V140 E141 A142 S147 V457 T459 L466	H130-W144 AromaticContact CE1-CD1 3.36Å; H130-W144 AromaticContact CE1-NE1 3.75Å; H130-W144 AromaticContact ND1-CD1 3.93Å; H130-W144 AromaticContact NE2-CD1 3.87Å; H130-W144 AromaticContact NE2-NE1 3.98Å; H130-W144 PolarHBondContact O-NE1 3.02Å; L131-W144 WeakPolarHBondContact O-CZ2 3.5Å; K134-W144 HydrophobicContact CB-CD2 4.42Å; K134-W144 HydrophobicContact CB-CE3 4.37Å; K134-W144 HydrophobicContact CB-CH2 3.69Å; K134-W144 HydrophobicContact CB-CZ2 3.71Å; K134-W144 HydrophobicContact CB-CZ3 4.04Å; K134-W144 HydrophobicContact CD-CE3 3.86Å; K134-W144 HydrophobicContact CD-CH2 3.93Å; K134-W144 HydrophobicContact CD-CZ3 3.48Å; K134-W144 VanDerWaalsContact CD-CZ3 3.48Å; K134-W144 HydrophobicContact CG-CH2 4.42Å; K134-W144 HydrophobicContact CG-CZ3 4.4Å; V140-W144 HydrophobicContact CB-CB 3.81Å; V140-W144 HydrophobicContact CB-CD2 4.33Å; V140-W144 HydrophobicContact CB-CG 3.75Å; V140-W144 HydrophobicContact CG1-CD2 4.31Å; V140-W144 HydrophobicContact CG1-CG 3.98Å; V140-W144 HydrophobicContact CG2-CB 4Å; V140-W144 HydrophobicContact CG2-CD2 4.23Å; V140-W144 HydrophobicContact CG2-CE3 4.46Å; V140-W144 HydrophobicContact CG2-CG 4.03Å; E141-W144 VanDerWaalsContact O-CB 3.23Å; E141-W144 WeakPolarHBondContact O-CB 3.26Å; E141-W144 PolarHBondContact O-N 3.28Å; A142-W144 VanDerWaalsContact C-N 3.31Å; A142-W144 PolarHBondContact O-N 3.19Å; W144-S147 VanDerWaalsContact CA-O 3.31Å; W144-S147 WeakPolarHBondContact CA-O 3.19Å; W144-V457 HydrophobicContact CE3-CG1 4.01Å; W144-V457 HydrophobicContact CZ3-CB 4.33Å; W144-V457 HydrophobicContact CZ3-CG1 3.99Å; W144-V457 HydrophobicContact CZ3-CG2 3.93Å; W144-T459 VanDerWaalsContact O-CG2 3.28Å; W144-T459 WeakPolarHBondContact O-CG2 3.29Å; W144-L466 HydrophobicContact CE3-CD1 4.31Å; W144-L466 HydrophobicContact CH2-CD1 3.44Å; W144-L466 VanDerWaalsContact CH2-CD1 3.44Å; W144-L466 HydrophobicContact CZ3-CD1 3.27Å
145	P	95.3	Very high	95.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	cis	-85.4	0.3	7.2	34.6	-36.2	0	0	0	115	H130 L131 S147 L466 A484	H130-P145 PolarHBondContact NE2-O 2.9Å; L131-P145 HydrophobicContact CD2-CB 4.2Å; P145-S147 VanDerWaalsContact C-N 3.31Å; P145-S147 PolarHBondContact O-N 3.48Å; P145-L466 HydrophobicContact CG-CD1 3.92Å; P145-L466 HydrophobicContact CG-CD2 4.45Å; P145-A484 HydrophobicContact CB-CB 4.35Å; P145-A484 HydrophobicContact CG-CB 4.24Å
146	C	95	Very high	95.8	Very high	23 Å²	23	40.6 Å²	40.6	16%	0.155	23%	0.228	C	C	.	.	S	Bend	trans	-86.2	-2.1	-176.5	-42.6	0	0	0	0	113.6	G143 C488	G143-C146 CarbonylContact O-C 3.6Å; G143-C146 WeakPolarHBondContact O-CA 3.39Å; G143-C146 PolarHBondContact O-N 3.36Å; C146-C488 WeakPolarHBondContact CA-SG 3.47Å; C146-C488 HydrophobicContact CB-CB 3.92Å; C146-C488 WeakPolarHBondContact CB-SG 3.38Å; C146-C488 PolarHBondContact N-SG 3.23Å; C146-C488 WeakPolarHBondContact SG-CA 3.34Å; C146-C488 WeakPolarHBondContact SG-CB 3.23Å; C146-C488 CovalentContact SG-SG 2.04Å; C146-C488 PolarHBondContact SG-SG 2.65Å
147	S	94.6	Very high	95.9	Very high	35 Å²	35	40.7 Å²	40.7	25%	0.245	23%	0.229	C	C	.	.			trans	-146.1	153	170.3	82	0	0	0	0	110.1	H130 E141 G143 W144 P145	H130-S147 PolarHBondContact CE1-O 2.91Å; E141-S147 PolarHBondContact OE2-OG 3.15Å; G143-S147 VanDerWaalsContact C-OG 3.26Å; G143-S147 WeakPolarHBondContact CA-OG 3.42Å; G143-S147 PolarHBondContact O-N 2.61Å; W144-S147 VanDerWaalsContact CA-O 3.31Å; W144-S147 WeakPolarHBondContact CA-O 3.19Å; P145-S147 VanDerWaalsContact C-N 3.31Å; P145-S147 PolarHBondContact O-N 3.48Å
148	G	96.1	Very high	96	Very high	2 Å²	2	38.3 Å²	38.3	2%	0.021	21%	0.205	C	C	.	.			trans	167.2	163.2	172.8	0	0	0	0	0	111.6	L151 R152	G148-L151 PolarHBondContact O-N 2.77Å; G148-R152 WeakPolarHBondContact O-CG 3.35Å; G148-R152 PolarHBondContact O-N 2.78Å; G148-R152 VanDerWaalsContact O-N 3.09Å; G148-R152 PolarHBondContact O-NH1 2.87Å
149	P	96.6	Very high	96.1	Very high	36 Å²	36	41.3 Å²	41.3	23%	0.234	21%	0.213	C	C	.	.	H	α-helix	trans	-62.9	-48.2	-178.8	23.1	-32	0	0	0	112.5	Q102 L151 R152 M153	Q102-P149 HydrophobicContact CG-CB 4.2Å; Q102-P149 VanDerWaalsContact OE1-CG 3.23Å; P149-L151 VanDerWaalsContact C-N 3.31Å; P149-L151 PolarHBondContact O-N 2.81Å; P149-R152 WeakPolarHBondContact O-CB 3.38Å; P149-R152 PolarHBondContact O-N 3.38Å; P149-R152 VanDerWaalsContact O-N 3.09Å; P149-M153 WeakPolarHBondContact O-CG 3.31Å; P149-M153 PolarHBondContact O-N 2.94Å
150	L	97.9	Very high	96.2	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-63.2	-36.2	178.7	-63.5	179.3	0	0	0	112.5	V98 Q102 L126 A129 H130 M153 A154	V98-L150 HydrophobicContact CG1-CD1 4.1Å; V98-L150 HydrophobicContact CG1-CD2 4.4Å; V98-L150 HydrophobicContact CG1-CG 4.39Å; V98-L150 HydrophobicContact CG2-CD1 3.9Å; Q102-L150 HydrophobicContact CG-CD2 4.44Å; L126-L150 HydrophobicContact CD2-CD2 4.19Å; A129-L150 HydrophobicContact CB-CD1 3.95Å; H130-L150 HydrophobicContact CB-CB 3.81Å; L150-M153 HydrophobicContact CD2-SD 4.05Å; L150-M153 PolarHBondContact O-N 3.38Å; L150-A154 PolarHBondContact O-N 2.97Å
151	L	98.4	Very high	96.4	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-62.4	-41.6	172.7	178.1	60.5	0	0	0	112.1	L127 G148 P149 M153 A154 E155 L205 L208 T209	L127-L151 HydrophobicContact CD2-CD1 3.87Å; G148-L151 PolarHBondContact O-N 2.77Å; P149-L151 VanDerWaalsContact C-N 3.31Å; P149-L151 PolarHBondContact O-N 2.81Å; L151-M153 VanDerWaalsContact C-N 3.34Å; L151-A154 PolarHBondContact O-N 3.02Å; L151-E155 WeakPolarHBondContact O-CB 3.31Å; L151-E155 PolarHBondContact O-N 2.97Å; L151-L205 HydrophobicContact CD1-CD2 3.98Å; L151-L208 HydrophobicContact CD1-CB 3.92Å; L151-L208 HydrophobicContact CD1-CD1 3.83Å; L151-L208 HydrophobicContact CD2-CB 3.8Å; L151-L208 HydrophobicContact CD2-CD1 4.48Å; L151-T209 HydrophobicContact CD1-CG2 4.01Å; L151-T209 HydrophobicContact CD2-CG2 4.33Å; L151-T209 HydrophobicContact CG-CG2 4.16Å
152	R	98.1	Very high	96.6	Very high	117 Å²	117	29.1 Å²	29.1	44%	0.442	15%	0.152	S	C	.	.	H	α-helix	trans	-64.8	-39.5	176.6	-72	-176.8	-65.1	-94.4	4.9	111.6	E141 G148 P149 E155 E156	E141-R152 IonicContact OE1-CZ 2.63Å; E141-R152 IonicContact OE1-NH1 3.12Å; E141-R152 PolarHBondContact OE1-NH1 3.05Å; E141-R152 VanDerWaalsContact OE1-NH1 3.15Å; E141-R152 IonicContact OE1-NH2 3.28Å; E141-R152 PolarHBondContact OE1-NH2 3.34Å; E141-R152 IonicContact OE2-CZ 3.57Å; E141-R152 IonicContact OE2-NH1 3.49Å; E141-R152 PolarHBondContact OE2-NH1 2.75Å; E141-R152 IonicContact OE2-NH2 3.39Å; G148-R152 WeakPolarHBondContact O-CG 3.35Å; G148-R152 PolarHBondContact O-N 2.78Å; G148-R152 VanDerWaalsContact O-N 3.09Å; G148-R152 PolarHBondContact O-NH1 2.87Å; P149-R152 WeakPolarHBondContact O-CB 3.38Å; P149-R152 PolarHBondContact O-N 3.38Å; P149-R152 VanDerWaalsContact O-N 3.09Å; R152-E155 PolarHBondContact O-N 3.28Å; R152-E156 WeakPolarHBondContact O-CB 3.49Å; R152-E156 PolarHBondContact O-N 3.36Å
153	M	97.9	Very high	97	Very high	20 Å²	20	27.3 Å²	27.3	10%	0.099	13%	0.134	C	C	.	.	H	α-helix	trans	-62.8	-44.6	173.7	-65.9	174.3	72.8	0	0	111.6	L101 Q102 V105 F107 L126 P149 L150 L151 E155 E156 A157	L101-M153 HydrophobicContact CB-CE 4.29Å; L101-M153 WeakPolarHBondContact O-CE 3.5Å; Q102-M153 HydrophobicContact CG-SD 3.99Å; V105-M153 HydrophobicContact CB-CE 3.82Å; V105-M153 HydrophobicContact CG1-CE 4.16Å; F107-M153 HydrophobicContact CE2-CB 4.23Å; F107-M153 WeakPolarHBondContact CE2-O 3.46Å; L126-M153 HydrophobicContact CD1-CB 3.99Å; L126-M153 HydrophobicContact CD2-CB 4.48Å; L126-M153 HydrophobicContact CD2-CE 4.46Å; P149-M153 WeakPolarHBondContact O-CG 3.31Å; P149-M153 PolarHBondContact O-N 2.94Å; L150-M153 HydrophobicContact CD2-SD 4.05Å; L150-M153 PolarHBondContact O-N 3.38Å; L151-M153 VanDerWaalsContact C-N 3.34Å; M153-E155 VanDerWaalsContact C-N 3.33Å; M153-E155 PolarHBondContact O-N 2.98Å; M153-E156 PolarHBondContact O-N 3.02Å; M153-A157 PolarHBondContact O-N 2.91Å
154	A	98.6	Very high	97.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.6	-42.2	176.3	0	0	0	0	0	111.9	V123 L126 L127 L150 L151 A158 L205	V123-A154 HydrophobicContact CG1-CB 4.5Å; L126-A154 HydrophobicContact CB-CB 3.77Å; L126-A154 HydrophobicContact CD1-CB 4.4Å; L127-A154 HydrophobicContact CD2-CB 4.09Å; L127-A154 HydrophobicContact CG-CB 4.08Å; L150-A154 PolarHBondContact O-N 2.97Å; L151-A154 PolarHBondContact O-N 3.02Å; A154-A158 WeakPolarHBondContact O-CB 3.28Å; A154-A158 PolarHBondContact O-N 3.46Å; A154-L205 HydrophobicContact CB-CD2 4.11Å
155	E	98.6	Very high	97.6	Very high	41 Å²	41	26.8 Å²	26.8	19%	0.192	13%	0.13	C	C	.	.	H	α-helix	trans	-62.4	-44.8	175.3	-172.4	-171.3	157.6	0	0	111.3	L151 R152 M153 A158 R159 L205 T209 F214	L151-E155 WeakPolarHBondContact O-CB 3.31Å; L151-E155 PolarHBondContact O-N 2.97Å; R152-E155 PolarHBondContact O-N 3.28Å; M153-E155 VanDerWaalsContact C-N 3.33Å; M153-E155 PolarHBondContact O-N 2.98Å; E155-A158 PolarHBondContact O-N 3.21Å; E155-R159 WeakPolarHBondContact O-CB 3.31Å; E155-R159 VanDerWaalsContact O-CG 3.28Å; E155-R159 WeakPolarHBondContact O-CG 3.16Å; E155-R159 PolarHBondContact O-N 3.16Å; E155-R159 IonicContact OE1-CZ 3.57Å; E155-R159 IonicContact OE1-NE 3.07Å; E155-R159 PolarHBondContact OE1-NE 3.41Å; E155-R159 IonicContact OE1-NH2 3.7Å; E155-R159 PolarHBondContact OE1-NH2 2.82Å; E155-L205 HydrophobicContact CB-CD2 4.2Å; E155-T209 HydrophobicContact CB-CG2 4.32Å; E155-T209 HydrophobicContact CG-CG2 4.19Å; E155-T209 WeakPolarHBondContact OE2-CG2 3.16Å; E155-F214 HydrophobicContact CG-CE2 4.09Å; E155-F214 HydrophobicContact CG-CZ 3.8Å
156	E	97.7	Very high	97.7	Very high	74 Å²	74	34.4 Å²	34.4	35%	0.346	17%	0.165	S	C	.	.	H	α-helix	trans	-59.8	-51.5	177.9	-173.3	-179.3	163.7	0	0	111.6	F107 R152 M153 A158 R159 K160	F107-E156 HydrophobicContact CB-CG 4.32Å; F107-E156 HydrophobicContact CD2-CB 4.21Å; F107-E156 HydrophobicContact CD2-CG 4.07Å; R152-E156 WeakPolarHBondContact O-CB 3.49Å; R152-E156 PolarHBondContact O-N 3.36Å; M153-E156 PolarHBondContact O-N 3.02Å; E156-A158 VanDerWaalsContact C-N 3.35Å; E156-A158 PolarHBondContact O-N 2.83Å; E156-R159 PolarHBondContact O-N 2.89Å; E156-R159 VanDerWaalsContact O-N 3.16Å; E156-K160 WeakPolarHBondContact O-CG 3.14Å; E156-K160 PolarHBondContact O-N 3.47Å
157	A	97.2	Very high	97.8	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.008	16%	0.163	C	C	.	.	H	α-helix	trans	-55.9	-48.4	175.6	0	0	0	0	0	111.4	F107 V122 V123 M153 R159 K160	F107-A157 HydrophobicContact CD1-CB 4.13Å; F107-A157 HydrophobicContact CD2-CB 4.13Å; F107-A157 HydrophobicContact CE1-CB 3.92Å; F107-A157 HydrophobicContact CE2-CB 3.91Å; F107-A157 HydrophobicContact CG-CB 4.23Å; F107-A157 HydrophobicContact CZ-CB 3.8Å; V122-A157 HydrophobicContact CG1-CB 4.24Å; V123-A157 HydrophobicContact CG2-CB 4.07Å; M153-A157 PolarHBondContact O-N 2.91Å; A157-R159 VanDerWaalsContact C-N 3.33Å; A157-R159 PolarHBondContact O-N 2.67Å; A157-K160 WeakPolarHBondContact O-CB 3.35Å; A157-K160 PolarHBondContact O-N 3.24Å; A157-K160 VanDerWaalsContact O-N 3.15Å
158	A	98.4	Very high	98	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.1	-35	178.9	0	0	0	0	0	112.9	V123 A154 E155 E156 K160 L161 L162 F202 L205 F214	V123-A158 HydrophobicContact CG1-CB 4.27Å; V123-A158 HydrophobicContact CG2-CB 4.03Å; A154-A158 WeakPolarHBondContact O-CB 3.28Å; A154-A158 PolarHBondContact O-N 3.46Å; E155-A158 PolarHBondContact O-N 3.21Å; E156-A158 VanDerWaalsContact C-N 3.35Å; E156-A158 PolarHBondContact O-N 2.83Å; A158-K160 VanDerWaalsContact C-N 3.27Å; A158-K160 PolarHBondContact O-N 2.7Å; A158-L161 WeakPolarHBondContact O-CB 3.41Å; A158-L161 PolarHBondContact O-N 3.08Å; A158-L162 PolarHBondContact O-N 2.91Å; A158-F202 HydrophobicContact CB-CE1 4.07Å; A158-F202 HydrophobicContact CB-CZ 4.49Å; A158-L205 HydrophobicContact CB-CD1 3.32Å; A158-F214 HydrophobicContact CB-CD1 3.99Å; A158-F214 HydrophobicContact CB-CE1 3.66Å; A158-F214 HydrophobicContact CB-CZ 4.49Å
159	R	98.3	Very high	98.1	Very high	95 Å²	95	38.4 Å²	38.4	36%	0.358	19%	0.189	S	C	.	.	H	α-helix	trans	-63.3	-33.5	175.4	-77	-177.3	-175	-67.7	4.2	112.1	E155 E156 A157 L161 L162 D211 F214	E155-R159 WeakPolarHBondContact O-CB 3.31Å; E155-R159 VanDerWaalsContact O-CG 3.28Å; E155-R159 WeakPolarHBondContact O-CG 3.16Å; E155-R159 PolarHBondContact O-N 3.16Å; E155-R159 IonicContact OE1-CZ 3.57Å; E155-R159 IonicContact OE1-NE 3.07Å; E155-R159 PolarHBondContact OE1-NE 3.41Å; E155-R159 IonicContact OE1-NH2 3.7Å; E155-R159 PolarHBondContact OE1-NH2 2.82Å; E156-R159 PolarHBondContact O-N 2.89Å; E156-R159 VanDerWaalsContact O-N 3.16Å; A157-R159 VanDerWaalsContact C-N 3.33Å; A157-R159 PolarHBondContact O-N 2.67Å; R159-L161 PolarHBondContact O-N 3.34Å; R159-L162 HydrophobicContact CG-CD1 4.32Å; R159-L162 PolarHBondContact O-N 2.97Å; R159-D211 IonicContact CZ-OD2 3.15Å; R159-D211 VanDerWaalsContact CZ-OD2 3.23Å; R159-D211 IonicContact NH1-OD2 3.83Å; R159-D211 PolarHBondContact NH1-OD2 3.41Å; R159-D211 IonicContact NH2-OD2 2.75Å; R159-D211 PolarHBondContact NH2-OD2 3.19Å; R159-F214 HydrophobicContact CG-CE1 3.92Å; R159-F214 HydrophobicContact CG-CZ 3.69Å
160	K	97.6	Very high	98.1	Very high	37 Å²	37	37.3 Å²	37.3	16%	0.161	19%	0.185	C	C	.	.	H	α-helix	trans	-63.9	-23.1	173.6	-56.9	-46.9	-160.8	145.1	0	113.2	F107 D108 E156 A157 A158 P163 L178	F107-K160 HydrophobicContact CB-CG 4.28Å; F107-K160 WeakPolarHBondContact O-CE 3.35Å; D108-K160 WeakPolarHBondContact OD1-CE 3.26Å; D108-K160 IonicContact OD1-NZ 2.65Å; D108-K160 PolarHBondContact OD1-NZ 2.92Å; E156-K160 WeakPolarHBondContact O-CG 3.14Å; E156-K160 PolarHBondContact O-N 3.47Å; A157-K160 WeakPolarHBondContact O-CB 3.35Å; A157-K160 PolarHBondContact O-N 3.24Å; A157-K160 VanDerWaalsContact O-N 3.15Å; A158-K160 VanDerWaalsContact C-N 3.27Å; A158-K160 PolarHBondContact O-N 2.7Å; K160-P163 WeakPolarHBondContact O-CD 3.38Å; K160-L178 HydrophobicContact CB-CB 4.42Å; K160-L178 HydrophobicContact CB-CD2 3.68Å; K160-L178 VanDerWaalsContact CD-O 3.29Å; K160-L178 WeakPolarHBondContact CD-O 3.49Å; K160-L178 WeakPolarHBondContact CE-O 3.36Å; K160-L178 HydrophobicContact CG-CB 4.4Å; K160-L178 HydrophobicContact CG-CD2 4.36Å; K160-L178 PolarHBondContact NZ-O 3.2Å
161	L	98.5	Very high	98.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-84.2	-25.4	179.7	-54	-174.2	0	0	0	113.3	V115 T118 N119 A158 R159 P163 A164 V176 L178 F202	V115-L161 HydrophobicContact CG1-CB 4.24Å; T118-L161 HydrophobicContact CG2-CD1 4.35Å; T118-L161 HydrophobicContact CG2-CD2 4.11Å; N119-L161 HydrophobicContact CB-CD1 4.06Å; A158-L161 WeakPolarHBondContact O-CB 3.41Å; A158-L161 PolarHBondContact O-N 3.08Å; R159-L161 PolarHBondContact O-N 3.34Å; L161-P163 VanDerWaalsContact C-N 3.35Å; L161-A164 VanDerWaalsContact O-CB 3.23Å; L161-A164 WeakPolarHBondContact O-CB 3.31Å; L161-A164 PolarHBondContact O-N 3.22Å; L161-V176 HydrophobicContact CD2-CG1 3.78Å; L161-L178 HydrophobicContact CD2-CD2 4.48Å; L161-F202 HydrophobicContact CB-CZ 4.47Å; L161-F202 HydrophobicContact CD1-CZ 4.5Å
162	L	98.6	Very high	98.2	Very high	26 Å²	26	37.2 Å²	37.2	14%	0.136	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-54.7	-35.8	-176.1	-65.9	177.6	0	0	0	115.3	A158 R159 A164 F165 F202 V213 F214 V217	A158-L162 PolarHBondContact O-N 2.91Å; R159-L162 HydrophobicContact CG-CD1 4.32Å; R159-L162 PolarHBondContact O-N 2.97Å; L162-A164 PolarHBondContact O-N 3.08Å; L162-F165 PolarHBondContact O-N 3.3Å; L162-F165 VanDerWaalsContact O-N 3.08Å; L162-F202 HydrophobicContact CD2-CE2 4.34Å; L162-V213 HydrophobicContact CD1-CG1 3.94Å; L162-V213 HydrophobicContact CD1-CG2 4.33Å; L162-F214 HydrophobicContact CD1-CD1 4.46Å; L162-F214 HydrophobicContact CD1-CE1 4.07Å; L162-F214 HydrophobicContact CD2-CD1 4.09Å; L162-F214 HydrophobicContact CD2-CE1 4.43Å; L162-F214 HydrophobicContact CG-CE1 4.38Å; L162-V217 HydrophobicContact CD2-CG2 3.93Å
163	P	98.5	Very high	98.2	Very high	37 Å²	37	33.5 Å²	33.5	24%	0.24	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-55.7	-30.6	174.1	-27.2	36.5	0	0	0	113.8	K160 L161 F165 Q166 V176 V182	K160-P163 WeakPolarHBondContact O-CD 3.38Å; L161-P163 VanDerWaalsContact C-N 3.35Å; P163-F165 PolarHBondContact O-N 3.14Å; P163-Q166 WeakPolarHBondContact O-CB 3.2Å; P163-Q166 PolarHBondContact O-N 2.64Å; P163-Q166 VanDerWaalsContact O-N 3.16Å; P163-V176 HydrophobicContact CB-CG2 4.25Å; P163-V182 HydrophobicContact CB-CG2 4.37Å
164	A	98.6	Very high	98.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-61.6	-31.9	178.2	0	0	0	0	0	112.6	V115 L161 L162 Q166 P172 Y173 V176 V182	V115-A164 HydrophobicContact CG1-CB 4.14Å; V115-A164 HydrophobicContact CG2-CB 3.62Å; L161-A164 VanDerWaalsContact O-CB 3.23Å; L161-A164 WeakPolarHBondContact O-CB 3.31Å; L161-A164 PolarHBondContact O-N 3.22Å; L162-A164 PolarHBondContact O-N 3.08Å; A164-Q166 VanDerWaalsContact C-N 3.26Å; A164-Q166 PolarHBondContact O-N 3.42Å; A164-P172 HydrophobicContact CB-CB 4.03Å; A164-P172 VanDerWaalsContact O-CA 3.24Å; A164-P172 WeakPolarHBondContact O-CA 3.49Å; A164-Y173 WeakPolarHBondContact O-CD2 3.47Å; A164-Y173 PolarHBondContact O-N 3.42Å; A164-V176 HydrophobicContact CB-CB 4.43Å; A164-V182 HydrophobicContact CB-CG2 4.37Å
165	F	98.7	Very high	98.1	Very high	12 Å²	12	35.4 Å²	35.4	5%	0.053	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-79.2	-5.9	-179.1	-66	-97	0	0	0	113.4	V115 L162 P163 T167 P172 F198 F202 V217 A221	V115-F165 HydrophobicContact CG1-CE2 4.31Å; L162-F165 PolarHBondContact O-N 3.3Å; L162-F165 VanDerWaalsContact O-N 3.08Å; P163-F165 PolarHBondContact O-N 3.14Å; F165-T167 PolarHBondContact O-N 2.89Å; F165-P172 HydrophobicContact CD1-CB 3.83Å; F165-P172 HydrophobicContact CD1-CG 4.03Å; F165-P172 HydrophobicContact CD2-CB 4.02Å; F165-P172 HydrophobicContact CE1-CB 3.79Å; F165-P172 HydrophobicContact CE1-CG 3.61Å; F165-P172 HydrophobicContact CE2-CB 3.98Å; F165-P172 HydrophobicContact CE2-CG 4.46Å; F165-P172 HydrophobicContact CG-CB 3.95Å; F165-P172 HydrophobicContact CZ-CB 3.86Å; F165-P172 HydrophobicContact CZ-CG 3.85Å; F165-F198 HydrophobicContact CE1-CD2 4.25Å; F165-F198 HydrophobicContact CE1-CE2 4.42Å; F165-F198 HydrophobicContact CE2-CE1 4.5Å; F165-F198 AromaticContact CZ-CD1 3.9Å; F165-F198 HydrophobicContact CZ-CD1 3.9Å; F165-F198 AromaticContact CZ-CD2 3.92Å; F165-F198 HydrophobicContact CZ-CD2 3.92Å; F165-F198 AromaticContact CZ-CE1 3.96Å; F165-F198 HydrophobicContact CZ-CE1 3.96Å; F165-F198 AromaticContact CZ-CE2 3.97Å; F165-F198 HydrophobicContact CZ-CE2 3.97Å; F165-F198 AromaticContact CZ-CG 3.9Å; F165-F198 HydrophobicContact CZ-CG 3.9Å; F165-F198 HydrophobicContact CZ-CZ 4.01Å; F165-F202 AromaticContact CE2-CE2 3.86Å; F165-F202 HydrophobicContact CE2-CE2 3.86Å; F165-F202 HydrophobicContact CE2-CZ 4.23Å; F165-F202 AromaticContact CZ-CE2 3.87Å; F165-F202 HydrophobicContact CZ-CE2 3.87Å; F165-F202 HydrophobicContact CZ-CZ 4.42Å; F165-V217 HydrophobicContact CB-CB 4.24Å; F165-V217 HydrophobicContact CB-CG1 4.37Å; F165-V217 HydrophobicContact CD1-CB 3.83Å; F165-V217 HydrophobicContact CD1-CG2 3.99Å; F165-V217 HydrophobicContact CD2-CG2 4.34Å; F165-V217 HydrophobicContact CE1-CB 4.39Å; F165-V217 HydrophobicContact CE1-CG2 4.17Å; F165-V217 HydrophobicContact CG-CB 4.04Å; F165-V217 HydrophobicContact CG-CG2 4.08Å; F165-V217 HydrophobicContact CZ-CG2 4.43Å; F165-A221 HydrophobicContact CE1-CB 4.42Å
166	Q	97.6	Very high	98	Very high	160 Å²	160	33.5 Å²	33.5	75%	0.748	18%	0.178	S	C	*	.			trans	-78.5	56.4	-179.6	-60.7	-177.8	0.3	0	0	111.9	P163 A164	P163-Q166 WeakPolarHBondContact O-CB 3.2Å; P163-Q166 PolarHBondContact O-N 2.64Å; P163-Q166 VanDerWaalsContact O-N 3.16Å; A164-Q166 VanDerWaalsContact C-N 3.26Å; A164-Q166 PolarHBondContact O-N 3.42Å
167	T	97.9	Very high	97.9	Very high	17 Å²	17	30.2 Å²	30.2	10%	0.104	16%	0.163	C	C	.	.	S	Bend	trans	-109.3	159.2	176.1	69.3	0	0	0	0	110.3	F165 T169 G170 M171 Y173 V241 L242	F165-T167 PolarHBondContact O-N 2.89Å; T167-T169 PolarHBondContact O-N 2.72Å; T167-T169 VanDerWaalsContact O-N 3.14Å; T167-T169 PolarHBondContact OG1-OG1 3.42Å; T167-G170 PolarHBondContact O-N 3.24Å; T167-G170 VanDerWaalsContact O-N 3.13Å; T167-G170 PolarHBondContact OG1-N 2.96Å; T167-M171 WeakPolarHBondContact CB-O 3.34Å; T167-M171 WeakPolarHBondContact CG2-O 3.46Å; T167-M171 PolarHBondContact OG1-N 2.69Å; T167-M171 PolarHBondContact OG1-O 3.39Å; T167-Y173 HydrophobicContact CG2-CD2 3.67Å; T167-Y173 HydrophobicContact CG2-CE2 3.51Å; T167-V241 HydrophobicContact CG2-CG2 3.9Å; T167-L242 HydrophobicContact CG2-CD2 4.41Å
168	P	98	Very high	97.8	Very high	106 Å²	106	30.5 Å²	30.5	69%	0.688	16%	0.164	S	C	*	.	S	Bend	trans	-57.4	-27.5	175.8	-26.3	35.7	0	0	0	114	L242	P168-L242 VanDerWaalsContact CD-CD2 3.5Å; P168-L242 HydrophobicContact CG-CD2 4.29Å
169	T	98	Very high	97.6	Very high	22 Å²	22	34.5 Å²	34.5	14%	0.135	19%	0.185	C	C	.	.	S	Bend	trans	-87.4	-31.2	177.8	67	0	0	0	0	112	T167 M171 R224 V241	T167-T169 PolarHBondContact O-N 2.72Å; T167-T169 VanDerWaalsContact O-N 3.14Å; T167-T169 PolarHBondContact OG1-OG1 3.42Å; T169-M171 HydrophobicContact CG2-CE 3.8Å; T169-M171 WeakPolarHBondContact OG1-CB 3.47Å; T169-M171 WeakPolarHBondContact OG1-CE 3.28Å; T169-M171 PolarHBondContact OG1-N 2.94Å; T169-M171 VanDerWaalsContact OG1-N 3.08Å; T169-R224 WeakPolarHBondContact O-CG 3.34Å; T169-R224 PolarHBondContact O-NE 2.96Å; T169-V241 WeakPolarHBondContact CB-O 3.36Å; T169-V241 WeakPolarHBondContact CG2-O 3.2Å; T169-V241 PolarHBondContact OG1-O 2.97Å
170	G	98	Very high	97.5	Very high	13 Å²	13	36 Å²	36	13%	0.134	20%	0.196	C	C	.	.	S	Bend	trans	88.7	1.7	-167.9	0	0	0	0	0	113.7	T167	T167-G170 PolarHBondContact O-N 3.24Å; T167-G170 VanDerWaalsContact O-N 3.13Å; T167-G170 PolarHBondContact OG1-N 2.96Å
171	M	98.7	Very high	97.4	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.02	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-78.7	136.1	168.9	-63.4	-177.1	-75.8	0	0	109.5	T167 T169 I195 R224 L225 I239 V241	T167-M171 WeakPolarHBondContact CB-O 3.34Å; T167-M171 WeakPolarHBondContact CG2-O 3.46Å; T167-M171 PolarHBondContact OG1-N 2.69Å; T167-M171 PolarHBondContact OG1-O 3.39Å; T169-M171 HydrophobicContact CG2-CE 3.8Å; T169-M171 WeakPolarHBondContact OG1-CB 3.47Å; T169-M171 WeakPolarHBondContact OG1-CE 3.28Å; T169-M171 PolarHBondContact OG1-N 2.94Å; T169-M171 VanDerWaalsContact OG1-N 3.08Å; M171-I195 HydrophobicContact CB-CD1 4.18Å; M171-I195 HydrophobicContact CB-CG1 4.26Å; M171-I195 HydrophobicContact CB-CG2 3.85Å; M171-I195 HydrophobicContact CG-CG2 3.71Å; M171-I195 HydrophobicContact SD-CD1 4.04Å; M171-I195 HydrophobicContact SD-CG2 4.1Å; M171-R224 HydrophobicContact CE-CB 4.47Å; M171-R224 HydrophobicContact CG-CB 3.7Å; M171-R224 HydrophobicContact CG-CG 4.22Å; M171-R224 HydrophobicContact SD-CB 3.92Å; M171-L225 HydrophobicContact SD-CD2 4.18Å; M171-I239 HydrophobicContact CE-CD1 3.94Å; M171-I239 HydrophobicContact CE-CG1 4.43Å; M171-I239 HydrophobicContact SD-CD1 4.15Å; M171-I239 HydrophobicContact SD-CG2 4.33Å; M171-V241 HydrophobicContact CB-CB 3.98Å; M171-V241 HydrophobicContact CB-CG1 4.01Å
172	P	98.6	Very high	97.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-75.7	149.8	-174.7	30.8	-34.9	0	0	0	113	V115 A164 F165 T190 I195 F198 V241	V115-P172 HydrophobicContact CG1-CB 4.48Å; A164-P172 HydrophobicContact CB-CB 4.03Å; A164-P172 VanDerWaalsContact O-CA 3.24Å; A164-P172 WeakPolarHBondContact O-CA 3.49Å; F165-P172 HydrophobicContact CD1-CB 3.83Å; F165-P172 HydrophobicContact CD1-CG 4.03Å; F165-P172 HydrophobicContact CD2-CB 4.02Å; F165-P172 HydrophobicContact CE1-CB 3.79Å; F165-P172 HydrophobicContact CE1-CG 3.61Å; F165-P172 HydrophobicContact CE2-CB 3.98Å; F165-P172 HydrophobicContact CE2-CG 4.46Å; F165-P172 HydrophobicContact CG-CB 3.95Å; F165-P172 HydrophobicContact CZ-CB 3.86Å; F165-P172 HydrophobicContact CZ-CG 3.85Å; P172-T190 PolarHBondContact O-OG1 3.44Å; P172-I195 HydrophobicContact CG-CG1 4.47Å; P172-F198 HydrophobicContact CG-CE2 3.85Å; P172-F198 HydrophobicContact CG-CZ 4.22Å; P172-V241 WeakPolarHBondContact O-CG1 3.22Å
173	Y	98.7	Very high	97.2	Very high	39 Å²	39	37.8 Å²	37.8	15%	0.153	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-60.9	155.5	158.9	-72.8	-84.5	0	0	0	111.2	V115 A164 T167 V182 E186 T187 P188 V241 L242	V115-Y173 WeakPolarHBondContact CG2-O 3.38Å; A164-Y173 WeakPolarHBondContact O-CD2 3.47Å; A164-Y173 PolarHBondContact O-N 3.42Å; T167-Y173 HydrophobicContact CG2-CD2 3.67Å; T167-Y173 HydrophobicContact CG2-CE2 3.51Å; Y173-V182 HydrophobicContact CD1-CG1 4.34Å; Y173-V182 HydrophobicContact CD2-CB 4.45Å; Y173-V182 HydrophobicContact CD2-CG1 3.73Å; Y173-V182 HydrophobicContact CD2-CG2 4Å; Y173-V182 HydrophobicContact CE2-CG1 3.95Å; Y173-V182 HydrophobicContact CG-CG1 3.92Å; Y173-E186 HydrophobicContact CD1-CB 4.3Å; Y173-E186 HydrophobicContact CD1-CG 3.74Å; Y173-E186 HydrophobicContact CE1-CG 4.45Å; Y173-E186 HydrophobicContact CG-CG 4.23Å; Y173-T187 WeakPolarHBondContact CD1-O 3.26Å; Y173-P188 HydrophobicContact CE1-CB 4.16Å; Y173-V241 HydrophobicContact CD1-CG2 4.23Å; Y173-V241 HydrophobicContact CE1-CG2 4.31Å; Y173-V241 HydrophobicContact CG-CG2 4.46Å; Y173-L242 WeakPolarHBondContact OH-CD2 3.37Å
174	G	97	Very high	96.9	Very high	20 Å²	20	42.8 Å²	42.8	21%	0.206	24%	0.244	C	C	.	.	S	Bend	trans	-70.7	-29.9	178.2	0	0	0	0	0	114.2	V115 T190	V115-G174 PolarHBondContact N-O 3.42Å; G174-T190 PolarHBondContact N-OG1 3.17Å
175	T	97	Very high	96.7	Very high	40 Å²	40	46.5 Å²	46.5	25%	0.245	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	147.7	-176	-36.1	0	0	0	0	111.5	N112 A113 E186	N112-T175 HydrophobicContact CB-CG2 3.95Å; A113-T175 WeakPolarHBondContact O-CA 3.42Å; A113-T175 VanDerWaalsContact O-CG2 3.23Å; A113-T175 WeakPolarHBondContact O-CG2 3.16Å; T175-E186 WeakPolarHBondContact CB-OE1 3.31Å; T175-E186 PolarHBondContact N-OE1 3.47Å; T175-E186 PolarHBondContact OG1-OE1 3.41Å
176	V	96.6	Very high	96.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	145.1	173	69.8	0	0	0	0	110	A113 V115 L161 P163 A164 L178 V182	A113-V176 PolarHBondContact N-O 3.06Å; A113-V176 PolarHBondContact O-N 3.27Å; V115-V176 HydrophobicContact CG2-CB 3.95Å; V115-V176 HydrophobicContact CG2-CG1 3.77Å; L161-V176 HydrophobicContact CD2-CG1 3.78Å; P163-V176 HydrophobicContact CB-CG2 4.25Å; A164-V176 HydrophobicContact CB-CB 4.43Å; V176-L178 HydrophobicContact CG1-CD2 4.33Å; V176-V182 HydrophobicContact CG2-CG2 4.18Å
177	N	96.2	Very high	96.5	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.027	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	129.3	167.5	-174.2	-76.8	0	0	0	109.6	D110 V111 N112 L179 H180 G181	D110-N177 PolarHBondContact OD1-ND2 3.31Å; V111-N177 CarbonylContact O-C 3.54Å; V111-N177 VanDerWaalsContact O-CA 3.25Å; V111-N177 WeakPolarHBondContact O-CA 3.31Å; N112-N177 WeakPolarHBondContact OD1-CB 3.39Å; N112-N177 PolarHBondContact OD1-ND2 3.09Å; N177-L179 VanDerWaalsContact C-N 3.26Å; N177-L179 PolarHBondContact O-N 2.96Å; N177-L179 PolarHBondContact OD1-N 2.84Å; N177-H180 HydrophobicContact CB-CB 4.15Å; N177-H180 PolarHBondContact OD1-N 2.87Å; N177-G181 WeakPolarHBondContact CA-O 3.37Å; N177-G181 WeakPolarHBondContact CB-O 3.39Å; N177-G181 PolarHBondContact N-O 3.36Å; N177-G181 WeakPolarHBondContact O-CA 3.49Å; N177-G181 PolarHBondContact O-N 3.37Å
178	L	94	Very high	96.5	Very high	7 Å²	7	44.3 Å²	44.3	4%	0.037	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-21.1	-174.2	-58.2	-171	0	0	0	114.1	F74 F107 I109 V111 A113 K160 L161 V176	F74-L178 HydrophobicContact CE1-CD1 3.85Å; F74-L178 HydrophobicContact CE2-CD1 4.1Å; F74-L178 HydrophobicContact CZ-CD1 3.23Å; F107-L178 WeakPolarHBondContact O-CB 3.33Å; I109-L178 HydrophobicContact CG1-CD1 4.25Å; V111-L178 HydrophobicContact CG1-CD1 3.99Å; V111-L178 HydrophobicContact CG1-CG 4.11Å; V111-L178 PolarHBondContact O-N 2.92Å; A113-L178 HydrophobicContact CB-CD1 4.49Å; A113-L178 HydrophobicContact CB-CD2 3.91Å; A113-L178 HydrophobicContact CB-CG 4.13Å; K160-L178 HydrophobicContact CB-CB 4.42Å; K160-L178 HydrophobicContact CB-CD2 3.68Å; K160-L178 VanDerWaalsContact CD-O 3.29Å; K160-L178 WeakPolarHBondContact CD-O 3.49Å; K160-L178 WeakPolarHBondContact CE-O 3.36Å; K160-L178 HydrophobicContact CG-CB 4.4Å; K160-L178 HydrophobicContact CG-CD2 4.36Å; K160-L178 PolarHBondContact NZ-O 3.2Å; L161-L178 HydrophobicContact CD2-CD2 4.48Å; V176-L178 HydrophobicContact CG1-CD2 4.33Å
179	L	94.3	Very high	96.5	Very high	84 Å²	84	41.3 Å²	41.3	44%	0.44	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-37.6	175.5	-170.5	61.2	0	0	0	112.6	I109 D110 N177	I109-L179 PolarHBondContact O-N 3.03Å; D110-L179 HydrophobicContact CB-CD2 4.17Å; N177-L179 VanDerWaalsContact C-N 3.26Å; N177-L179 PolarHBondContact O-N 2.96Å; N177-L179 PolarHBondContact OD1-N 2.84Å
180	H	95.8	Very high	96.5	Very high	126 Å²	126	40.7 Å²	40.7	58%	0.583	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-7.5	-167.5	-62.4	-43.2	0	0	0	114.9	D110 N177	D110-H180 IonicContact OD1-CD2 3.7Å; D110-H180 PolarHBondContact OD1-CD2 3.28Å; D110-H180 IonicContact OD1-NE2 2.84Å; N177-H180 HydrophobicContact CB-CB 4.15Å; N177-H180 PolarHBondContact OD1-N 2.87Å
181	G	96.3	Very high	96.5	Very high	11 Å²	11	41.5 Å²	41.5	11%	0.113	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	78.3	-153.9	-175.8	0	0	0	0	0	112.8	N177 N183	N177-G181 WeakPolarHBondContact CA-O 3.37Å; N177-G181 WeakPolarHBondContact CB-O 3.39Å; N177-G181 PolarHBondContact N-O 3.36Å; N177-G181 WeakPolarHBondContact O-CA 3.49Å; N177-G181 PolarHBondContact O-N 3.37Å; G181-N183 PolarHBondContact O-N 3.16Å
182	V	97.1	Very high	96.5	Very high	39 Å²	39	41.3 Å²	41.3	24%	0.236	26%	0.257	C	S	.	.	S	Bend	trans	-72.9	127	-175.1	-177	0	0	0	0	110.8	P163 A164 Y173 V176 E186	P163-V182 HydrophobicContact CB-CG2 4.37Å; A164-V182 HydrophobicContact CB-CG2 4.37Å; Y173-V182 HydrophobicContact CD1-CG1 4.34Å; Y173-V182 HydrophobicContact CD2-CB 4.45Å; Y173-V182 HydrophobicContact CD2-CG1 3.73Å; Y173-V182 HydrophobicContact CD2-CG2 4Å; Y173-V182 HydrophobicContact CE2-CG1 3.95Å; Y173-V182 HydrophobicContact CG-CG1 3.92Å; V176-V182 HydrophobicContact CG2-CG2 4.18Å; V182-E186 HydrophobicContact CG1-CB 3.84Å; V182-E186 HydrophobicContact CG1-CG 4.15Å
183	N	95	Very high	96.5	Very high	51 Å²	51	41.5 Å²	41.5	27%	0.273	26%	0.258	S	S	.	.			trans	-63.9	137.4	175.9	-70.9	-47.6	0	0	0	111.1	N112 G181 G185 E186	N112-N183 PolarHBondContact ND2-ND2 3.01Å; N112-N183 PolarHBondContact OD1-ND2 3.37Å; G181-N183 PolarHBondContact O-N 3.16Å; N183-G185 PolarHBondContact O-N 2.93Å; N183-E186 HydrophobicContact CB-CB 4.5Å; N183-E186 VanDerWaalsContact O-CB 3.23Å; N183-E186 WeakPolarHBondContact O-CB 3.23Å; N183-E186 PolarHBondContact O-N 3.07Å
184	P	93	Very high	96.5	Very high	143 Å²	143	39.8 Å²	39.8	93%	0.929	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.2	179.1	-26.7	34.8	0	0	0	115.4
185	G	93.3	Very high	96.6	Very high	78 Å²	78	38.9 Å²	38.9	80%	0.804	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97	5.9	176.8	0	0	0	0	0	114.5	N183	N183-G185 PolarHBondContact O-N 2.93Å
186	E	96.5	Very high	96.6	Very high	38 Å²	38	37 Å²	37	18%	0.178	23%	0.232	C	C	.	.			trans	-61.7	139.4	179.6	-175.1	59.1	-161.8	0	0	111.1	Y173 T175 V182 N183	Y173-E186 HydrophobicContact CD1-CB 4.3Å; Y173-E186 HydrophobicContact CD1-CG 3.74Å; Y173-E186 HydrophobicContact CE1-CG 4.45Å; Y173-E186 HydrophobicContact CG-CG 4.23Å; T175-E186 WeakPolarHBondContact CB-OE1 3.31Å; T175-E186 PolarHBondContact N-OE1 3.47Å; T175-E186 PolarHBondContact OG1-OE1 3.41Å; V182-E186 HydrophobicContact CG1-CB 3.84Å; V182-E186 HydrophobicContact CG1-CG 4.15Å; N183-E186 HydrophobicContact CB-CB 4.5Å; N183-E186 VanDerWaalsContact O-CB 3.23Å; N183-E186 WeakPolarHBondContact O-CB 3.23Å; N183-E186 PolarHBondContact O-N 3.07Å
187	T	97	Very high	96.7	Very high	72 Å²	72	37 Å²	37	44%	0.442	23%	0.232	S	C	.	.			trans	-67.7	132.8	176.5	175.2	0	0	0	0	110.4	Y173 V189	Y173-T187 WeakPolarHBondContact CD1-O 3.26Å; T187-V189 PolarHBondContact O-N 2.93Å; T187-V189 PolarHBondContact OG1-N 3.45Å
188	P	97.4	Very high	96.9	Very high	33 Å²	33	36.9 Å²	36.9	21%	0.214	23%	0.231	C	C	.	.	S	Bend	trans	-76.8	-1	173.3	34.3	-36.9	0	0	0	112.6	Y173 D240 V241 L242	Y173-P188 HydrophobicContact CE1-CB 4.16Å; P188-D240 CarbonylContact O-C 3.57Å; P188-D240 WeakPolarHBondContact O-CA 3.49Å; P188-V241 HydrophobicContact CB-CG2 4.31Å; P188-V241 WeakPolarHBondContact O-CG1 3.39Å; P188-V241 WeakPolarHBondContact O-CG2 3.41Å; P188-V241 PolarHBondContact O-N 3.19Å; P188-L242 HydrophobicContact CB-CB 4.47Å; P188-L242 HydrophobicContact CB-CD1 3.78Å; P188-L242 HydrophobicContact CB-CG 3.74Å; P188-L242 HydrophobicContact CG-CD1 4.4Å
189	V	98.3	Very high	97.1	Very high	43 Å²	43	36.6 Å²	36.6	26%	0.261	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	116.9	-176.7	-174.9	0	0	0	0	109.9	T187 H238 I239 V247	T187-V189 PolarHBondContact O-N 2.93Å; T187-V189 PolarHBondContact OG1-N 3.45Å; V189-H238 HydrophobicContact CG1-CB 3.82Å; V189-I239 WeakPolarHBondContact CA-O 3.49Å; V189-V247 HydrophobicContact CG1-CB 4.11Å; V189-V247 HydrophobicContact CG1-CG1 4.33Å; V189-V247 HydrophobicContact CG1-CG2 4.14Å; V189-V247 HydrophobicContact CG2-CG2 4.01Å
190	T	97.8	Very high	97.3	Very high	8 Å²	8	32.6 Å²	32.6	5%	0.049	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	149.9	180	-53	0	0	0	0	110	P172 G174 I195 H238 I239	P172-T190 PolarHBondContact O-OG1 3.44Å; G174-T190 PolarHBondContact N-OG1 3.17Å; T190-I195 HydrophobicContact CG2-CD1 4.39Å; T190-I195 HydrophobicContact CG2-CG1 3.91Å; T190-H238 WeakPolarHBondContact O-CA 3.22Å; T190-I239 PolarHBondContact N-O 2.98Å; T190-I239 PolarHBondContact O-N 3.44Å
191	C	98.1	Very high	97.5	Very high	31 Å²	31	26.6 Å²	26.6	21%	0.209	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	159.6	175.6	65.4	0	0	0	0	111.9	A193 G194 I195 N237	C191-A193 PolarHBondContact O-N 3.31Å; C191-G194 PolarHBondContact O-N 2.86Å; C191-G194 PolarHBondContact SG-N 3.49Å; C191-I195 PolarHBondContact O-N 3.36Å; C191-N237 CarbonylContact C-O 3.56Å; C191-N237 WeakPolarHBondContact CA-O 3.35Å
192	T	98.6	Very high	97.6	Very high	0 Å²	0	26 Å²	26	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.9	-42.9	179.4	-67	0	0	0	0	112.7	G194 I195 G196 L225 V235 G236 N237 W246 G256 V257 Y260	T192-G194 VanDerWaalsContact C-N 3.34Å; T192-G194 PolarHBondContact O-N 2.78Å; T192-I195 PolarHBondContact O-N 3.19Å; T192-G196 PolarHBondContact O-N 2.77Å; T192-L225 HydrophobicContact CG2-CD1 4.01Å; T192-L225 HydrophobicContact CG2-CD2 4.15Å; T192-V235 HydrophobicContact CG2-CG2 4.2Å; T192-G236 PolarHBondContact OG1-O 2.84Å; T192-N237 PolarHBondContact N-O 3.19Å; T192-W246 WeakPolarHBondContact OG1-CH2 3.29Å; T192-W246 VanDerWaalsContact OG1-CZ3 3.3Å; T192-W246 WeakPolarHBondContact OG1-CZ3 3.42Å; T192-G256 WeakPolarHBondContact CB-O 3.37Å; T192-G256 PolarHBondContact N-O 3.32Å; T192-V257 HydrophobicContact CG2-CG1 4.12Å; T192-Y260 HydrophobicContact CG2-CD1 3.46Å; T192-Y260 VanDerWaalsContact CG2-CD1 3.46Å; T192-Y260 HydrophobicContact CG2-CE1 4.09Å; T192-Y260 HydrophobicContact CG2-CG 3.88Å
193	A	98.5	Very high	97.6	Very high	3 Å²	3	24.2 Å²	24.2	3%	0.025	16%	0.164	C	C	.	.	H	α-helix	trans	-58.3	-45.1	173.9	0	0	0	0	0	111.7	F116 C191 I195 G196 T197 G256 D258 S259	F116-A193 HydrophobicContact CE2-CB 4.46Å; C191-A193 PolarHBondContact O-N 3.31Å; A193-I195 PolarHBondContact O-N 2.7Å; A193-G196 PolarHBondContact O-N 3.44Å; A193-T197 VanDerWaalsContact O-CB 3.3Å; A193-T197 WeakPolarHBondContact O-CB 3.11Å; A193-T197 PolarHBondContact O-N 3.2Å; A193-T197 PolarHBondContact O-OG1 3.43Å; A193-G256 PolarHBondContact N-O 3.47Å; A193-D258 WeakPolarHBondContact CB-OD1 3.39Å; A193-S259 WeakPolarHBondContact CB-OG 3.43Å
194	G	98.4	Very high	97.8	Very high	4 Å²	4	21.8 Å²	21.8	4%	0.041	15%	0.151	C	C	.	.	H	α-helix	trans	-64.8	-11.5	178.8	0	0	0	0	0	115.2	C191 T192 F198	C191-G194 PolarHBondContact O-N 2.86Å; C191-G194 PolarHBondContact SG-N 3.49Å; T192-G194 VanDerWaalsContact C-N 3.34Å; T192-G194 PolarHBondContact O-N 2.78Å; G194-F198 VanDerWaalsContact O-CE2 3.23Å; G194-F198 WeakPolarHBondContact O-CE2 3.32Å
195	I	98.8	Very high	98.1	Very high	1 Å²	1	15 Å²	15	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-103.3	-37.1	174.3	-66.7	163.1	0	0	0	111	M171 P172 T190 C191 T192 A193 F198 A221 L225 I239 V241	M171-I195 HydrophobicContact CB-CD1 4.18Å; M171-I195 HydrophobicContact CB-CG1 4.26Å; M171-I195 HydrophobicContact CB-CG2 3.85Å; M171-I195 HydrophobicContact CG-CG2 3.71Å; M171-I195 HydrophobicContact SD-CD1 4.04Å; M171-I195 HydrophobicContact SD-CG2 4.1Å; P172-I195 HydrophobicContact CG-CG1 4.47Å; T190-I195 HydrophobicContact CG2-CD1 4.39Å; T190-I195 HydrophobicContact CG2-CG1 3.91Å; C191-I195 PolarHBondContact O-N 3.36Å; T192-I195 PolarHBondContact O-N 3.19Å; A193-I195 PolarHBondContact O-N 2.7Å; I195-F198 WeakPolarHBondContact O-CD2 3.47Å; I195-A221 HydrophobicContact CG2-CB 4.03Å; I195-L225 HydrophobicContact CB-CD1 3.94Å; I195-L225 HydrophobicContact CB-CD2 4.36Å; I195-L225 HydrophobicContact CB-CG 4.34Å; I195-L225 HydrophobicContact CD1-CD2 4.25Å; I195-L225 HydrophobicContact CG2-CD1 3.56Å; I195-L225 HydrophobicContact CG2-CD2 3.98Å; I195-L225 HydrophobicContact CG2-CG 3.62Å; I195-I239 HydrophobicContact CD1-CG2 3.21Å; I195-V241 HydrophobicContact CD1-CG1 3.9Å; I195-V241 HydrophobicContact CG1-CG1 4.43Å
196	G	98.4	Very high	98.3	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.01	7%	0.071	C	C	.	.	H	α-helix	trans	-89.1	-7.4	-169.5	0	0	0	0	0	115.9	T192 A193 F198 L222	T192-G196 PolarHBondContact O-N 2.77Å; A193-G196 PolarHBondContact O-N 3.44Å; G196-F198 PolarHBondContact O-N 3.5Å; G196-L222 WeakPolarHBondContact O-CD2 3.38Å
197	T	98.8	Very high	98.3	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	59.2	-164.2	-44.2	0	0	0	0	112.5	F116 N119 I120 A193 S259 Y263 T475	F116-T197 HydrophobicContact CD2-CG2 4.43Å; F116-T197 HydrophobicContact CE2-CG2 3.76Å; N119-T197 PolarHBondContact ND2-O 3.18Å; I120-T197 HydrophobicContact CG2-CG2 3.91Å; A193-T197 VanDerWaalsContact O-CB 3.3Å; A193-T197 WeakPolarHBondContact O-CB 3.11Å; A193-T197 PolarHBondContact O-N 3.2Å; A193-T197 PolarHBondContact O-OG1 3.43Å; T197-S259 WeakPolarHBondContact CG2-OG 3.36Å; T197-S259 PolarHBondContact OG1-OG 3.05Å; T197-Y263 VanDerWaalsContact C-CD2 3.45Å; T197-Y263 VanDerWaalsContact CA-CD2 3.43Å; T197-Y263 HydrophobicContact CG2-CD1 3.87Å; T197-Y263 HydrophobicContact CG2-CD2 3.7Å; T197-Y263 HydrophobicContact CG2-CE1 3.62Å; T197-Y263 HydrophobicContact CG2-CE2 3.39Å; T197-Y263 HydrophobicContact CG2-CG 3.92Å; T197-T475 HydrophobicContact CG2-CG2 3.81Å
198	F	98.9	Very high	98.3	Very high	2 Å²	2	6.6 Å²	6.6	1%	0.009	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.5	-23.1	178.9	-61	-84.9	0	0	0	114.2	V115 N119 F165 P172 G194 I195 G196 V200 E201 F202 A218	V115-F198 HydrophobicContact CG1-CE1 3.79Å; V115-F198 HydrophobicContact CG1-CZ 3.74Å; N119-F198 HydrophobicContact CB-CD1 3.78Å; N119-F198 HydrophobicContact CB-CE1 3.66Å; N119-F198 VanDerWaalsContact CG-CD1 3.5Å; F165-F198 HydrophobicContact CE1-CD2 4.25Å; F165-F198 HydrophobicContact CE1-CE2 4.42Å; F165-F198 HydrophobicContact CE2-CE1 4.5Å; F165-F198 AromaticContact CZ-CD1 3.9Å; F165-F198 HydrophobicContact CZ-CD1 3.9Å; F165-F198 AromaticContact CZ-CD2 3.92Å; F165-F198 HydrophobicContact CZ-CD2 3.92Å; F165-F198 AromaticContact CZ-CE1 3.96Å; F165-F198 HydrophobicContact CZ-CE1 3.96Å; F165-F198 AromaticContact CZ-CE2 3.97Å; F165-F198 HydrophobicContact CZ-CE2 3.97Å; F165-F198 AromaticContact CZ-CG 3.9Å; F165-F198 HydrophobicContact CZ-CG 3.9Å; F165-F198 HydrophobicContact CZ-CZ 4.01Å; P172-F198 HydrophobicContact CG-CE2 3.85Å; P172-F198 HydrophobicContact CG-CZ 4.22Å; G194-F198 VanDerWaalsContact O-CE2 3.23Å; G194-F198 WeakPolarHBondContact O-CE2 3.32Å; I195-F198 WeakPolarHBondContact O-CD2 3.47Å; G196-F198 PolarHBondContact O-N 3.5Å; F198-V200 PolarHBondContact O-N 3.24Å; F198-V200 VanDerWaalsContact O-N 3.14Å; F198-E201 PolarHBondContact O-N 3.39Å; F198-F202 HydrophobicContact CB-CD1 4.4Å; F198-F202 HydrophobicContact CB-CD2 4.14Å; F198-F202 HydrophobicContact CB-CG 4.11Å; F198-F202 HydrophobicContact CD1-CD1 4.49Å; F198-F202 HydrophobicContact CD1-CE1 4.06Å; F198-F202 HydrophobicContact CD1-CE2 4.25Å; F198-F202 AromaticContact CD1-CZ 3.94Å; F198-F202 HydrophobicContact CD1-CZ 3.94Å; F198-F202 VanDerWaalsContact O-CB 3.22Å; F198-F202 WeakPolarHBondContact O-CB 3.48Å; F198-F202 PolarHBondContact O-N 3.21Å; F198-A218 HydrophobicContact CB-CB 3.83Å
199	I	98.8	Very high	98.2	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-61.9	-30.2	-166.9	-167.3	60.7	0	0	0	113.5	A203 E215 A218 R219 L222 Y263 L271 L276	I199-A203 HydrophobicContact CD1-CB 4.22Å; I199-A203 WeakPolarHBondContact O-CB 3.15Å; I199-A203 PolarHBondContact O-N 3.02Å; I199-A203 VanDerWaalsContact O-N 3.08Å; I199-E215 HydrophobicContact CD1-CG 4.17Å; I199-A218 HydrophobicContact CB-CB 4.41Å; I199-A218 HydrophobicContact CD1-CB 4.03Å; I199-R219 HydrophobicContact CD1-CG 3.65Å; I199-L222 HydrophobicContact CB-CD1 3.76Å; I199-L222 HydrophobicContact CD1-CD1 4.48Å; I199-L222 HydrophobicContact CG1-CD1 4.03Å; I199-L222 HydrophobicContact CG2-CD1 3.96Å; I199-Y263 HydrophobicContact CG2-CD2 3.92Å; I199-Y263 HydrophobicContact CG2-CG 4.31Å; I199-L271 HydrophobicContact CD1-CD1 4.19Å; I199-L271 HydrophobicContact CG1-CD1 3.93Å; I199-L276 HydrophobicContact CG1-CD1 4.23Å
200	V	98.8	Very high	97.9	Very high	0 Å²	0	6 Å²	6	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-67.5	-53.6	179.1	172.6	0	0	0	0	110.5	F198 T204 Y263 K266 L270 N474 I480	F198-V200 PolarHBondContact O-N 3.24Å; F198-V200 VanDerWaalsContact O-N 3.14Å; V200-T204 VanDerWaalsContact O-CB 3.31Å; V200-T204 WeakPolarHBondContact O-CB 3.4Å; V200-T204 PolarHBondContact O-N 3.41Å; V200-T204 PolarHBondContact O-OG1 2.82Å; V200-Y263 HydrophobicContact CB-CD2 4.2Å; V200-Y263 HydrophobicContact CB-CE1 4.46Å; V200-Y263 HydrophobicContact CB-CE2 3.74Å; V200-Y263 HydrophobicContact CG2-CD1 4.1Å; V200-Y263 HydrophobicContact CG2-CD2 3.87Å; V200-Y263 HydrophobicContact CG2-CE1 4.04Å; V200-Y263 HydrophobicContact CG2-CE2 3.85Å; V200-Y263 HydrophobicContact CG2-CG 4.02Å; V200-K266 HydrophobicContact CG2-CB 4.32Å; V200-L270 HydrophobicContact CB-CD2 4.49Å; V200-L270 HydrophobicContact CG1-CD2 4.02Å; V200-N474 HydrophobicContact CG1-CB 3.92Å; V200-I480 HydrophobicContact CG1-CG1 4.28Å
201	E	98.9	Very high	97.8	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-71.5	-47.1	-179.5	-60.4	78	-168.5	0	0	111.4	N119 V123 L127 F198 T204 L205 Y263 N474	N119-E201 VanDerWaalsContact ND2-CD 3.26Å; N119-E201 PolarHBondContact ND2-OE2 3.41Å; N119-E201 WeakPolarHBondContact OD1-CB 3.41Å; V123-E201 HydrophobicContact CG1-CB 4.01Å; V123-E201 HydrophobicContact CG1-CG 4.49Å; L127-E201 HydrophobicContact CD1-CB 3.94Å; L127-E201 HydrophobicContact CD1-CG 4.4Å; F198-E201 PolarHBondContact O-N 3.39Å; E201-T204 WeakPolarHBondContact O-CB 3.49Å; E201-T204 PolarHBondContact O-N 3.28Å; E201-L205 PolarHBondContact O-N 3.18Å; E201-Y263 PolarHBondContact OE1-OH 2.97Å; E201-Y263 VanDerWaalsContact OE2-CE2 3.26Å; E201-Y263 WeakPolarHBondContact OE2-CE2 3.42Å; E201-Y263 PolarHBondContact OE2-OH 2.88Å; E201-N474 VanDerWaalsContact OE1-CB 3.29Å; E201-N474 WeakPolarHBondContact OE1-CB 3.31Å; E201-N474 PolarHBondContact OE1-ND2 3.23Å
202	F	98.9	Very high	97.8	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-70.5	-38.1	-172.6	-82.2	26.2	0	0	0	111.8	N119 A158 L161 L162 F165 F198 T204 L205 S206 F214 V217 A218	N119-F202 WeakPolarHBondContact OD1-CD1 3.32Å; N119-F202 WeakPolarHBondContact OD1-CE1 2.97Å; A158-F202 HydrophobicContact CB-CE1 4.07Å; A158-F202 HydrophobicContact CB-CZ 4.49Å; L161-F202 HydrophobicContact CB-CZ 4.47Å; L161-F202 HydrophobicContact CD1-CZ 4.5Å; L162-F202 HydrophobicContact CD2-CE2 4.34Å; F165-F202 AromaticContact CE2-CE2 3.86Å; F165-F202 HydrophobicContact CE2-CE2 3.86Å; F165-F202 HydrophobicContact CE2-CZ 4.23Å; F165-F202 AromaticContact CZ-CE2 3.87Å; F165-F202 HydrophobicContact CZ-CE2 3.87Å; F165-F202 HydrophobicContact CZ-CZ 4.42Å; F198-F202 HydrophobicContact CB-CD1 4.4Å; F198-F202 HydrophobicContact CB-CD2 4.14Å; F198-F202 HydrophobicContact CB-CG 4.11Å; F198-F202 HydrophobicContact CD1-CD1 4.49Å; F198-F202 HydrophobicContact CD1-CE1 4.06Å; F198-F202 HydrophobicContact CD1-CE2 4.25Å; F198-F202 AromaticContact CD1-CZ 3.94Å; F198-F202 HydrophobicContact CD1-CZ 3.94Å; F198-F202 VanDerWaalsContact O-CB 3.22Å; F198-F202 WeakPolarHBondContact O-CB 3.48Å; F198-F202 PolarHBondContact O-N 3.21Å; F202-T204 VanDerWaalsContact C-N 3.33Å; F202-L205 HydrophobicContact CD1-CD1 4.46Å; F202-L205 PolarHBondContact O-N 3.01Å; F202-S206 WeakPolarHBondContact O-CB 3.38Å; F202-S206 PolarHBondContact O-N 3.43Å; F202-S206 PolarHBondContact O-OG 2.94Å; F202-F214 HydrophobicContact CB-CB 3.73Å; F202-F214 WeakPolarHBondContact CB-O 3.35Å; F202-F214 HydrophobicContact CD2-CB 3.94Å; F202-F214 VanDerWaalsContact CD2-O 3.25Å; F202-F214 WeakPolarHBondContact CD2-O 2.91Å; F202-F214 HydrophobicContact CG-CB 3.86Å; F202-F214 WeakPolarHBondContact O-CB 3.23Å; F202-V217 HydrophobicContact CD2-CG2 3.84Å; F202-V217 HydrophobicContact CE2-CG2 3.84Å; F202-A218 HydrophobicContact CB-CB 4.03Å; F202-A218 HydrophobicContact CD2-CB 4.19Å; F202-A218 HydrophobicContact CG-CB 4.48Å
203	A	98.5	Very high	97.7	Very high	0 Å²	0	12 Å²	12	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-69.8	-32.8	172.3	0	0	0	0	0	112.2	I199 S207 E215 L271	I199-A203 HydrophobicContact CD1-CB 4.22Å; I199-A203 WeakPolarHBondContact O-CB 3.15Å; I199-A203 PolarHBondContact O-N 3.02Å; I199-A203 VanDerWaalsContact O-N 3.08Å; A203-S207 VanDerWaalsContact O-CB 3.28Å; A203-S207 WeakPolarHBondContact O-CB 3.48Å; A203-S207 PolarHBondContact O-N 2.91Å; A203-S207 PolarHBondContact O-OG 3.09Å; A203-E215 HydrophobicContact CB-CB 4.31Å; A203-E215 HydrophobicContact CB-CG 3.85Å; A203-L271 HydrophobicContact CB-CD1 3.61Å; A203-L271 HydrophobicContact CB-CD2 3.66Å; A203-L271 HydrophobicContact CB-CG 4.22Å
204	T	98.6	Very high	97.8	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.1	-49.3	171.4	-61.4	0	0	0	0	110.6	L127 V200 E201 F202 S206 S207 L208 I480 L485	L127-T204 HydrophobicContact CD1-CG2 4.04Å; L127-T204 HydrophobicContact CD2-CG2 4.09Å; V200-T204 VanDerWaalsContact O-CB 3.31Å; V200-T204 WeakPolarHBondContact O-CB 3.4Å; V200-T204 PolarHBondContact O-N 3.41Å; V200-T204 PolarHBondContact O-OG1 2.82Å; E201-T204 WeakPolarHBondContact O-CB 3.49Å; E201-T204 PolarHBondContact O-N 3.28Å; F202-T204 VanDerWaalsContact C-N 3.33Å; T204-S206 PolarHBondContact O-N 3.19Å; T204-S207 WeakPolarHBondContact O-CB 3.34Å; T204-S207 PolarHBondContact O-N 3.49Å; T204-L208 HydrophobicContact CG2-CD1 3.87Å; T204-L208 HydrophobicContact CG2-CG 4.25Å; T204-L208 VanDerWaalsContact O-CG 3.31Å; T204-L208 WeakPolarHBondContact O-CG 3.24Å; T204-L208 PolarHBondContact O-N 3.47Å; T204-I480 HydrophobicContact CG2-CG2 4.05Å; T204-L485 HydrophobicContact CG2-CD1 3.89Å; T204-L485 HydrophobicContact CG2-CG 4.42Å
205	L	98.4	Very high	97.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-57.2	-49.5	175.3	-83.5	170.8	0	0	0	112.1	V123 L127 L151 A154 E155 A158 E201 F202 S207 L208 T209 F214	V123-L205 HydrophobicContact CG1-CD1 3.61Å; V123-L205 HydrophobicContact CG1-CG 4.35Å; L127-L205 HydrophobicContact CD1-CG 4.13Å; L127-L205 HydrophobicContact CD2-CD2 3.78Å; L127-L205 HydrophobicContact CD2-CG 4.05Å; L127-L205 HydrophobicContact CG-CG 4.48Å; L151-L205 HydrophobicContact CD1-CD2 3.98Å; A154-L205 HydrophobicContact CB-CD2 4.11Å; E155-L205 HydrophobicContact CB-CD2 4.2Å; A158-L205 HydrophobicContact CB-CD1 3.32Å; E201-L205 PolarHBondContact O-N 3.18Å; F202-L205 HydrophobicContact CD1-CD1 4.46Å; F202-L205 PolarHBondContact O-N 3.01Å; L205-S207 VanDerWaalsContact C-N 3.28Å; L205-S207 PolarHBondContact O-N 3.34Å; L205-L208 PolarHBondContact O-N 2.89Å; L205-T209 HydrophobicContact CD2-CG2 4.33Å; L205-T209 VanDerWaalsContact O-CB 3.32Å; L205-T209 WeakPolarHBondContact O-CB 3.4Å; L205-T209 WeakPolarHBondContact O-CG2 3.17Å; L205-T209 PolarHBondContact O-N 3.37Å; L205-T209 PolarHBondContact O-OG1 2.85Å; L205-F214 HydrophobicContact CB-CB 4.42Å; L205-F214 HydrophobicContact CB-CD2 4Å; L205-F214 HydrophobicContact CB-CE2 4.49Å; L205-F214 HydrophobicContact CB-CG 4.22Å; L205-F214 HydrophobicContact CD1-CD1 4.34Å; L205-F214 HydrophobicContact CD1-CG 4.43Å
206	S	98	Very high	97.8	Very high	8 Å²	8	17.5 Å²	17.5	6%	0.056	11%	0.107	C	C	.	.	H	α-helix	trans	-60.1	-38.7	177.8	-74.6	0	0	0	0	112.3	F202 T204 G210 D211 F214 E215	F202-S206 WeakPolarHBondContact O-CB 3.38Å; F202-S206 PolarHBondContact O-N 3.43Å; F202-S206 PolarHBondContact O-OG 2.94Å; T204-S206 PolarHBondContact O-N 3.19Å; S206-G210 WeakPolarHBondContact O-CA 3.4Å; S206-G210 PolarHBondContact O-N 3.21Å; S206-D211 VanDerWaalsContact CA-O 3.26Å; S206-D211 WeakPolarHBondContact CA-O 3.44Å; S206-D211 VanDerWaalsContact CB-O 3.23Å; S206-D211 WeakPolarHBondContact CB-O 3.45Å; S206-D211 PolarHBondContact OG-O 3.5Å; S206-F214 WeakPolarHBondContact OG-CB 3.21Å; S206-E215 WeakPolarHBondContact OG-CB 3.35Å; S206-E215 PolarHBondContact OG-N 3.2Å
207	S	96.2	Very high	97.8	Very high	4 Å²	4	19 Å²	19	3%	0.028	12%	0.116	C	C	.	.	H	α-helix	trans	-65.5	-50.8	177.1	-60.7	0	0	0	0	111.9	A203 T204 L205 C488 Q489 K492	A203-S207 VanDerWaalsContact O-CB 3.28Å; A203-S207 WeakPolarHBondContact O-CB 3.48Å; A203-S207 PolarHBondContact O-N 2.91Å; A203-S207 PolarHBondContact O-OG 3.09Å; T204-S207 WeakPolarHBondContact O-CB 3.34Å; T204-S207 PolarHBondContact O-N 3.49Å; L205-S207 VanDerWaalsContact C-N 3.28Å; L205-S207 PolarHBondContact O-N 3.34Å; S207-C488 VanDerWaalsContact O-CB 3.28Å; S207-C488 WeakPolarHBondContact O-CB 3.43Å; S207-Q489 PolarHBondContact OG-NE2 2.84Å; S207-K492 PolarHBondContact O-NZ 2.95Å; S207-K492 VanDerWaalsContact O-NZ 3.09Å
208	L	96.2	Very high	97.8	Very high	1 Å²	1	19 Å²	19	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-69.3	-51.2	-176.6	-60.8	-178.7	0	0	0	111.3	L127 L131 L151 T204 L205 A484 C488 K492	L127-L208 HydrophobicContact CD2-CD1 4.18Å; L131-L208 HydrophobicContact CD2-CD1 4.09Å; L131-L208 HydrophobicContact CD2-CD2 4.43Å; L151-L208 HydrophobicContact CD1-CB 3.92Å; L151-L208 HydrophobicContact CD1-CD1 3.83Å; L151-L208 HydrophobicContact CD2-CB 3.8Å; L151-L208 HydrophobicContact CD2-CD1 4.48Å; T204-L208 HydrophobicContact CG2-CD1 3.87Å; T204-L208 HydrophobicContact CG2-CG 4.25Å; T204-L208 VanDerWaalsContact O-CG 3.31Å; T204-L208 WeakPolarHBondContact O-CG 3.24Å; T204-L208 PolarHBondContact O-N 3.47Å; L205-L208 PolarHBondContact O-N 2.89Å; L208-A484 HydrophobicContact CD2-CB 4.38Å; L208-C488 HydrophobicContact CD2-CB 4.06Å; L208-C488 WeakPolarHBondContact CD2-SG 3.36Å; L208-K492 PolarHBondContact O-NZ 3.09Å
209	T	95.7	Very high	97.8	Very high	35 Å²	35	22 Å²	22	22%	0.215	13%	0.127	C	C	.	.	H	α-helix	trans	-79.7	-37.8	-175.9	68.6	0	0	0	0	112.4	L151 E155 L205 D211 K492	L151-T209 HydrophobicContact CD1-CG2 4.01Å; L151-T209 HydrophobicContact CD2-CG2 4.33Å; L151-T209 HydrophobicContact CG-CG2 4.16Å; E155-T209 HydrophobicContact CB-CG2 4.32Å; E155-T209 HydrophobicContact CG-CG2 4.19Å; E155-T209 WeakPolarHBondContact OE2-CG2 3.16Å; L205-T209 HydrophobicContact CD2-CG2 4.33Å; L205-T209 VanDerWaalsContact O-CB 3.32Å; L205-T209 WeakPolarHBondContact O-CB 3.4Å; L205-T209 WeakPolarHBondContact O-CG2 3.17Å; L205-T209 PolarHBondContact O-N 3.37Å; L205-T209 PolarHBondContact O-OG1 2.85Å; T209-D211 PolarHBondContact OG1-N 3.35Å; T209-K492 PolarHBondContact O-NZ 3.31Å; T209-K492 VanDerWaalsContact O-NZ 3.08Å
210	G	93.4	Very high	97.7	Very high	29 Å²	29	25 Å²	25	30%	0.299	15%	0.146	S	C	.	.			trans	92.7	2.1	-178.3	0	0	0	0	0	113.7	S206 P212	S206-G210 WeakPolarHBondContact O-CA 3.4Å; S206-G210 PolarHBondContact O-N 3.21Å; G210-P212 WeakPolarHBondContact O-CD 3.36Å
211	D	95.7	Very high	97.7	Very high	44 Å²	44	25 Å²	25	24%	0.235	15%	0.146	C	C	.	.			trans	-82.5	110.7	170.4	-171.5	-12.6	0	0	0	109.2	R159 S206 T209 V213 F214	R159-D211 IonicContact CZ-OD2 3.15Å; R159-D211 VanDerWaalsContact CZ-OD2 3.23Å; R159-D211 IonicContact NH1-OD2 3.83Å; R159-D211 PolarHBondContact NH1-OD2 3.41Å; R159-D211 IonicContact NH2-OD2 2.75Å; R159-D211 PolarHBondContact NH2-OD2 3.19Å; S206-D211 VanDerWaalsContact CA-O 3.26Å; S206-D211 WeakPolarHBondContact CA-O 3.44Å; S206-D211 VanDerWaalsContact CB-O 3.23Å; S206-D211 WeakPolarHBondContact CB-O 3.45Å; S206-D211 PolarHBondContact OG-O 3.5Å; T209-D211 PolarHBondContact OG1-N 3.35Å; D211-V213 VanDerWaalsContact CG-CG1 3.48Å; D211-V213 PolarHBondContact O-N 2.92Å; D211-V213 WeakPolarHBondContact OD1-CB 3.08Å; D211-V213 WeakPolarHBondContact OD1-CG1 3.35Å; D211-V213 PolarHBondContact OD1-N 3.5Å; D211-V213 VanDerWaalsContact OD1-N 3.08Å; D211-V213 WeakPolarHBondContact OD2-CG1 3.31Å; D211-F214 HydrophobicContact CB-CD2 4.34Å; D211-F214 HydrophobicContact CB-CE2 4.03Å
212	P	96.5	Very high	97.7	Very high	72 Å²	72	25.1 Å²	25.1	47%	0.468	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-12.3	-176.8	31.2	-37	0	0	0	113.2	G210 F214 E215 D216	G210-P212 WeakPolarHBondContact O-CD 3.36Å; P212-F214 PolarHBondContact O-N 2.74Å; P212-F214 VanDerWaalsContact O-N 3.14Å; P212-E215 PolarHBondContact O-N 3.4Å; P212-D216 WeakPolarHBondContact O-CB 3.16Å; P212-D216 VanDerWaalsContact O-CG 3.29Å; P212-D216 PolarHBondContact O-N 3.24Å
213	V	98.3	Very high	97.7	Very high	47 Å²	47	27.2 Å²	27.2	29%	0.285	16%	0.157	S	C	.	.	H	α-helix	trans	-56.2	-37.7	-171.8	73.7	0	0	0	0	112.8	L162 D211 V217	L162-V213 HydrophobicContact CD1-CG1 3.94Å; L162-V213 HydrophobicContact CD1-CG2 4.33Å; D211-V213 VanDerWaalsContact CG-CG1 3.48Å; D211-V213 PolarHBondContact O-N 2.92Å; D211-V213 WeakPolarHBondContact OD1-CB 3.08Å; D211-V213 WeakPolarHBondContact OD1-CG1 3.35Å; D211-V213 PolarHBondContact OD1-N 3.5Å; D211-V213 VanDerWaalsContact OD1-N 3.08Å; D211-V213 WeakPolarHBondContact OD2-CG1 3.31Å; V213-V217 WeakPolarHBondContact O-CG1 3.34Å; V213-V217 WeakPolarHBondContact O-CG2 3.21Å; V213-V217 PolarHBondContact O-N 3.15Å; V213-V217 VanDerWaalsContact O-N 3.12Å
214	F	98.8	Very high	97.7	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-66.5	-56.6	-178	-53.4	-75.8	0	0	0	110.3	E155 A158 R159 L162 F202 L205 S206 D211 P212 D216 V217 A218	E155-F214 HydrophobicContact CG-CE2 4.09Å; E155-F214 HydrophobicContact CG-CZ 3.8Å; A158-F214 HydrophobicContact CB-CD1 3.99Å; A158-F214 HydrophobicContact CB-CE1 3.66Å; A158-F214 HydrophobicContact CB-CZ 4.49Å; R159-F214 HydrophobicContact CG-CE1 3.92Å; R159-F214 HydrophobicContact CG-CZ 3.69Å; L162-F214 HydrophobicContact CD1-CD1 4.46Å; L162-F214 HydrophobicContact CD1-CE1 4.07Å; L162-F214 HydrophobicContact CD2-CD1 4.09Å; L162-F214 HydrophobicContact CD2-CE1 4.43Å; L162-F214 HydrophobicContact CG-CE1 4.38Å; F202-F214 HydrophobicContact CB-CB 3.73Å; F202-F214 WeakPolarHBondContact CB-O 3.35Å; F202-F214 HydrophobicContact CD2-CB 3.94Å; F202-F214 VanDerWaalsContact CD2-O 3.25Å; F202-F214 WeakPolarHBondContact CD2-O 2.91Å; F202-F214 HydrophobicContact CG-CB 3.86Å; F202-F214 WeakPolarHBondContact O-CB 3.23Å; L205-F214 HydrophobicContact CB-CB 4.42Å; L205-F214 HydrophobicContact CB-CD2 4Å; L205-F214 HydrophobicContact CB-CE2 4.49Å; L205-F214 HydrophobicContact CB-CG 4.22Å; L205-F214 HydrophobicContact CD1-CD1 4.34Å; L205-F214 HydrophobicContact CD1-CG 4.43Å; S206-F214 WeakPolarHBondContact OG-CB 3.21Å; D211-F214 HydrophobicContact CB-CD2 4.34Å; D211-F214 HydrophobicContact CB-CE2 4.03Å; P212-F214 PolarHBondContact O-N 2.74Å; P212-F214 VanDerWaalsContact O-N 3.14Å; F214-D216 VanDerWaalsContact C-N 3.28Å; F214-D216 PolarHBondContact O-N 3.44Å; F214-V217 VanDerWaalsContact O-CG2 3.28Å; F214-V217 WeakPolarHBondContact O-CG2 3.34Å; F214-V217 PolarHBondContact O-N 3.49Å; F214-A218 PolarHBondContact O-N 3.43Å
215	E	98.5	Very high	97.7	Very high	34 Å²	34	32 Å²	32	16%	0.159	18%	0.175	C	C	.	.	H	α-helix	trans	-58.3	-41.9	178	-171.7	172.6	160.3	0	0	112.1	I199 A203 S206 P212 V217 A218 R219	I199-E215 HydrophobicContact CD1-CG 4.17Å; A203-E215 HydrophobicContact CB-CB 4.31Å; A203-E215 HydrophobicContact CB-CG 3.85Å; S206-E215 WeakPolarHBondContact OG-CB 3.35Å; S206-E215 PolarHBondContact OG-N 3.2Å; P212-E215 PolarHBondContact O-N 3.4Å; E215-V217 PolarHBondContact O-N 2.93Å; E215-A218 PolarHBondContact O-N 3.42Å; E215-R219 HydrophobicContact CG-CG 4.22Å; E215-R219 WeakPolarHBondContact O-CB 3.25Å; E215-R219 VanDerWaalsContact O-CG 3.28Å; E215-R219 WeakPolarHBondContact O-CG 3.29Å; E215-R219 PolarHBondContact O-N 3.42Å; E215-R219 IonicContact OE1-CZ 2.64Å; E215-R219 IonicContact OE1-NE 3.25Å; E215-R219 PolarHBondContact OE1-NE 2.93Å; E215-R219 IonicContact OE1-NH2 3.86Å; E215-R219 PolarHBondContact OE1-NH2 3.21Å
216	D	98.6	Very high	97.7	Very high	91 Å²	91	34.4 Å²	34.4	49%	0.487	18%	0.184	S	C	.	.	H	α-helix	trans	-59.1	-48.8	-179.1	-77.4	-18.5	0	0	0	112	P212 F214 A218 R219 V220	P212-D216 WeakPolarHBondContact O-CB 3.16Å; P212-D216 VanDerWaalsContact O-CG 3.29Å; P212-D216 PolarHBondContact O-N 3.24Å; F214-D216 VanDerWaalsContact C-N 3.28Å; F214-D216 PolarHBondContact O-N 3.44Å; D216-A218 PolarHBondContact O-N 2.92Å; D216-R219 PolarHBondContact O-N 3.46Å; D216-V220 WeakPolarHBondContact O-CG2 2.91Å; D216-V220 PolarHBondContact O-N 2.87Å
217	V	98.8	Very high	97.7	Very high	31 Å²	31	39.8 Å²	39.8	19%	0.188	21%	0.208	C	C	.	.	H	α-helix	trans	-67.2	-38.1	-179.9	-61.1	0	0	0	0	112	L162 F165 F202 V213 F214 E215 V220 A221	L162-V217 HydrophobicContact CD2-CG2 3.93Å; F165-V217 HydrophobicContact CB-CB 4.24Å; F165-V217 HydrophobicContact CB-CG1 4.37Å; F165-V217 HydrophobicContact CD1-CB 3.83Å; F165-V217 HydrophobicContact CD1-CG2 3.99Å; F165-V217 HydrophobicContact CD2-CG2 4.34Å; F165-V217 HydrophobicContact CE1-CB 4.39Å; F165-V217 HydrophobicContact CE1-CG2 4.17Å; F165-V217 HydrophobicContact CG-CB 4.04Å; F165-V217 HydrophobicContact CG-CG2 4.08Å; F165-V217 HydrophobicContact CZ-CG2 4.43Å; F202-V217 HydrophobicContact CD2-CG2 3.84Å; F202-V217 HydrophobicContact CE2-CG2 3.84Å; V213-V217 WeakPolarHBondContact O-CG1 3.34Å; V213-V217 WeakPolarHBondContact O-CG2 3.21Å; V213-V217 PolarHBondContact O-N 3.15Å; V213-V217 VanDerWaalsContact O-N 3.12Å; F214-V217 VanDerWaalsContact O-CG2 3.28Å; F214-V217 WeakPolarHBondContact O-CG2 3.34Å; F214-V217 PolarHBondContact O-N 3.49Å; E215-V217 PolarHBondContact O-N 2.93Å; V217-V220 PolarHBondContact O-N 3.12Å; V217-A221 PolarHBondContact O-N 3.27Å
218	A	98.8	Very high	97.8	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.008	21%	0.214	C	C	.	.	H	α-helix	trans	-64.2	-42.6	176.8	0	0	0	0	0	111.6	F198 I199 F202 F214 E215 D216 A221 L222	F198-A218 HydrophobicContact CB-CB 3.83Å; I199-A218 HydrophobicContact CB-CB 4.41Å; I199-A218 HydrophobicContact CD1-CB 4.03Å; F202-A218 HydrophobicContact CB-CB 4.03Å; F202-A218 HydrophobicContact CD2-CB 4.19Å; F202-A218 HydrophobicContact CG-CB 4.48Å; F214-A218 PolarHBondContact O-N 3.43Å; E215-A218 PolarHBondContact O-N 3.42Å; D216-A218 PolarHBondContact O-N 2.92Å; A218-A221 PolarHBondContact O-N 3.25Å; A218-L222 WeakPolarHBondContact O-CG 3.42Å; A218-L222 PolarHBondContact O-N 2.88Å
219	R	98.6	Very high	97.8	Very high	65 Å²	65	43.8 Å²	43.8	25%	0.245	23%	0.226	C	C	.	.	H	α-helix	trans	-64.8	-41.1	176.5	-73.7	-178.1	176.8	-71.3	2.8	112.4	I199 E215 D216 M223 D273	I199-R219 HydrophobicContact CD1-CG 3.65Å; E215-R219 HydrophobicContact CG-CG 4.22Å; E215-R219 WeakPolarHBondContact O-CB 3.25Å; E215-R219 VanDerWaalsContact O-CG 3.28Å; E215-R219 WeakPolarHBondContact O-CG 3.29Å; E215-R219 PolarHBondContact O-N 3.42Å; E215-R219 IonicContact OE1-CZ 2.64Å; E215-R219 IonicContact OE1-NE 3.25Å; E215-R219 PolarHBondContact OE1-NE 2.93Å; E215-R219 IonicContact OE1-NH2 3.86Å; E215-R219 PolarHBondContact OE1-NH2 3.21Å; D216-R219 PolarHBondContact O-N 3.46Å; R219-M223 WeakPolarHBondContact O-CB 3.43Å; R219-M223 VanDerWaalsContact O-CG 3.32Å; R219-M223 WeakPolarHBondContact O-CG 3.29Å; R219-M223 PolarHBondContact O-N 2.81Å; R219-D273 IonicContact CZ-OD2 3.25Å; R219-D273 IonicContact NH1-OD2 3.33Å; R219-D273 PolarHBondContact NH1-OD2 3.05Å; R219-D273 IonicContact NH2-OD2 3.41Å; R219-D273 PolarHBondContact NH2-OD2 3.34Å
220	V	98.7	Very high	98	Very high	63 Å²	63	42.5 Å²	42.5	38%	0.382	22%	0.218	S	C	.	.	H	α-helix	trans	-60.2	-48.5	175.2	169.6	0	0	0	0	110.1	D216 V217 L222 M223 R224	D216-V220 WeakPolarHBondContact O-CG2 2.91Å; D216-V220 PolarHBondContact O-N 2.87Å; V217-V220 PolarHBondContact O-N 3.12Å; V220-L222 PolarHBondContact O-N 2.92Å; V220-M223 PolarHBondContact O-N 2.79Å; V220-M223 VanDerWaalsContact O-N 3.17Å; V220-R224 HydrophobicContact CG1-CG 4.35Å; V220-R224 WeakPolarHBondContact O-CG 3.47Å; V220-R224 PolarHBondContact O-N 2.72Å
221	A	98.7	Very high	98.2	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.8	-48	179	0	0	0	0	0	112.5	F165 I195 V217 A218 M223 R224 L225	F165-A221 HydrophobicContact CE1-CB 4.42Å; I195-A221 HydrophobicContact CG2-CB 4.03Å; V217-A221 PolarHBondContact O-N 3.27Å; A218-A221 PolarHBondContact O-N 3.25Å; A221-M223 VanDerWaalsContact C-N 3.33Å; A221-M223 PolarHBondContact O-N 3.2Å; A221-R224 PolarHBondContact O-N 3.22Å; A221-L225 PolarHBondContact O-N 2.84Å; A221-L225 VanDerWaalsContact O-N 3.09Å
222	L	98.6	Very high	98.3	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-57.7	-43.9	174.7	-73	175.2	0	0	0	112.4	G196 I199 A218 V220 L225 W226 Y260 L264 L276	G196-L222 WeakPolarHBondContact O-CD2 3.38Å; I199-L222 HydrophobicContact CB-CD1 3.76Å; I199-L222 HydrophobicContact CD1-CD1 4.48Å; I199-L222 HydrophobicContact CG1-CD1 4.03Å; I199-L222 HydrophobicContact CG2-CD1 3.96Å; A218-L222 WeakPolarHBondContact O-CG 3.42Å; A218-L222 PolarHBondContact O-N 2.88Å; V220-L222 PolarHBondContact O-N 2.92Å; L222-L225 PolarHBondContact O-N 3.41Å; L222-W226 WeakPolarHBondContact O-CB 3.25Å; L222-W226 PolarHBondContact O-N 3.38Å; L222-Y260 HydrophobicContact CD2-CD2 3.63Å; L222-Y260 HydrophobicContact CD2-CE2 3.47Å; L222-Y260 VanDerWaalsContact CD2-CE2 3.47Å; L222-L264 HydrophobicContact CD2-CD2 4.07Å; L222-L276 HydrophobicContact CD1-CD2 3.84Å
223	M	98.3	Very high	98.3	Very high	44 Å²	44	46 Å²	46	22%	0.217	23%	0.23	C	C	.	.	H	α-helix	trans	-65.3	-37.9	178.6	-77.5	-58.1	-48.8	0	0	112.4	R219 V220 A221 W226 E227 K275 M279	R219-M223 WeakPolarHBondContact O-CB 3.43Å; R219-M223 VanDerWaalsContact O-CG 3.32Å; R219-M223 WeakPolarHBondContact O-CG 3.29Å; R219-M223 PolarHBondContact O-N 2.81Å; V220-M223 PolarHBondContact O-N 2.79Å; V220-M223 VanDerWaalsContact O-N 3.17Å; A221-M223 VanDerWaalsContact C-N 3.33Å; A221-M223 PolarHBondContact O-N 3.2Å; M223-W226 WeakPolarHBondContact O-CB 3.48Å; M223-W226 PolarHBondContact O-N 3.15Å; M223-E227 VanDerWaalsContact O-CG 3.3Å; M223-E227 WeakPolarHBondContact O-CG 3.49Å; M223-E227 PolarHBondContact O-N 3.06Å; M223-K275 WeakPolarHBondContact SD-CE 3.11Å; M223-K275 PolarHBondContact SD-NZ 3.05Å; M223-M279 HydrophobicContact SD-CE 4.32Å; M223-M279 HydrophobicContact SD-SD 4.31Å
224	R	98.3	Very high	98.3	Very high	102 Å²	102	44 Å²	44	39%	0.385	22%	0.217	S	C	.	.	H	α-helix	trans	-65.4	-43.1	176.1	-66.6	-41.4	-169.1	163.7	4.5	112.6	T169 M171 V220 A221 W226 E227 S228	T169-R224 WeakPolarHBondContact O-CG 3.34Å; T169-R224 PolarHBondContact O-NE 2.96Å; M171-R224 HydrophobicContact CE-CB 4.47Å; M171-R224 HydrophobicContact CG-CB 3.7Å; M171-R224 HydrophobicContact CG-CG 4.22Å; M171-R224 HydrophobicContact SD-CB 3.92Å; V220-R224 HydrophobicContact CG1-CG 4.35Å; V220-R224 WeakPolarHBondContact O-CG 3.47Å; V220-R224 PolarHBondContact O-N 2.72Å; A221-R224 PolarHBondContact O-N 3.22Å; R224-W226 VanDerWaalsContact C-N 3.29Å; R224-W226 PolarHBondContact O-N 3.29Å; R224-E227 IonicContact NH1-OE2 3.83Å; R224-E227 PolarHBondContact NH1-OE2 2.91Å; R224-E227 VanDerWaalsContact NH1-OE2 3.13Å; R224-E227 PolarHBondContact O-N 3.31Å; R224-S228 WeakPolarHBondContact O-CB 3.26Å; R224-S228 PolarHBondContact O-N 2.98Å; R224-S228 PolarHBondContact O-OG 3.06Å
225	L	98.4	Very high	98.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-59.2	-44.5	173.8	-74	175.7	0	0	0	111	M171 T192 I195 A221 L222 E227 S228 W246 Y260	M171-L225 HydrophobicContact SD-CD2 4.18Å; T192-L225 HydrophobicContact CG2-CD1 4.01Å; T192-L225 HydrophobicContact CG2-CD2 4.15Å; I195-L225 HydrophobicContact CB-CD1 3.94Å; I195-L225 HydrophobicContact CB-CD2 4.36Å; I195-L225 HydrophobicContact CB-CG 4.34Å; I195-L225 HydrophobicContact CD1-CD2 4.25Å; I195-L225 HydrophobicContact CG2-CD1 3.56Å; I195-L225 HydrophobicContact CG2-CD2 3.98Å; I195-L225 HydrophobicContact CG2-CG 3.62Å; A221-L225 PolarHBondContact O-N 2.84Å; A221-L225 VanDerWaalsContact O-N 3.09Å; L222-L225 PolarHBondContact O-N 3.41Å; L225-E227 PolarHBondContact O-N 3.01Å; L225-S228 WeakPolarHBondContact CA-OG 3.27Å; L225-S228 PolarHBondContact O-N 3.44Å; L225-S228 VanDerWaalsContact O-N 3.1Å; L225-S228 PolarHBondContact O-OG 2.81Å; L225-W246 HydrophobicContact CD2-CH2 4.3Å; L225-Y260 HydrophobicContact CB-CE1 4.34Å; L225-Y260 HydrophobicContact CB-CE2 4.12Å; L225-Y260 WeakPolarHBondContact CB-OH 3.45Å; L225-Y260 HydrophobicContact CD1-CD1 4.48Å; L225-Y260 HydrophobicContact CD1-CD2 3.84Å; L225-Y260 HydrophobicContact CD1-CE1 4.39Å; L225-Y260 HydrophobicContact CD1-CE2 3.74Å; L225-Y260 HydrophobicContact CD1-CG 4.19Å
226	W	98.4	Very high	98.3	Very high	50 Å²	50	42.5 Å²	42.5	19%	0.189	21%	0.21	C	C	.	.	H	α-helix	trans	-60.9	-39.4	175.9	174.1	-98	0	0	0	114.5	L222 M223 R224 S228 R229 Y260 M279 E282 Y283	L222-W226 WeakPolarHBondContact O-CB 3.25Å; L222-W226 PolarHBondContact O-N 3.38Å; M223-W226 WeakPolarHBondContact O-CB 3.48Å; M223-W226 PolarHBondContact O-N 3.15Å; R224-W226 VanDerWaalsContact C-N 3.29Å; R224-W226 PolarHBondContact O-N 3.29Å; W226-S228 VanDerWaalsContact C-N 3.25Å; W226-S228 PolarHBondContact O-N 3.04Å; W226-R229 VanDerWaalsContact CD2-NH2 3.28Å; W226-R229 VanDerWaalsContact CE2-CZ 3.4Å; W226-R229 VanDerWaalsContact CE3-NH1 3.29Å; W226-R229 VanDerWaalsContact CH2-CZ 3.44Å; W226-R229 VanDerWaalsContact CZ2-CZ 3.47Å; W226-R229 WeakPolarHBondContact O-CG 3.29Å; W226-R229 PolarHBondContact O-NE 3.38Å; W226-Y260 PolarHBondContact N-OH 2.69Å; W226-M279 HydrophobicContact CB-CE 3.48Å; W226-M279 VanDerWaalsContact CB-CE 3.48Å; W226-M279 HydrophobicContact CD2-CB 4.25Å; W226-M279 HydrophobicContact CD2-CE 3.89Å; W226-M279 HydrophobicContact CD2-CG 3.71Å; W226-M279 HydrophobicContact CD2-SD 4.5Å; W226-M279 HydrophobicContact CE3-CB 3.62Å; W226-M279 HydrophobicContact CE3-CE 3.99Å; W226-M279 HydrophobicContact CE3-CG 3.62Å; W226-M279 HydrophobicContact CG-CE 3.72Å; W226-M279 HydrophobicContact CG-CG 4.38Å; W226-M279 VanDerWaalsContact CH2-CA 3.44Å; W226-M279 HydrophobicContact CH2-CB 3.92Å; W226-M279 HydrophobicContact CH2-CG 3.89Å; W226-M279 HydrophobicContact CZ2-CG 3.99Å; W226-M279 HydrophobicContact CZ3-CB 3.44Å; W226-M279 VanDerWaalsContact CZ3-CB 3.44Å; W226-M279 HydrophobicContact CZ3-CG 3.72Å; W226-M279 VanDerWaalsContact CZ3-O 3.22Å; W226-M279 WeakPolarHBondContact CZ3-O 3.45Å; W226-E282 HydrophobicContact CH2-CB 3.75Å; W226-E282 HydrophobicContact CH2-CG 4.05Å; W226-E282 HydrophobicContact CZ3-CB 4.23Å; W226-Y283 HydrophobicContact CE3-CD2 4.26Å; W226-Y283 AromaticContact CE3-CE2 3.52Å; W226-Y283 HydrophobicContact CE3-CE2 3.52Å; W226-Y283 AromaticContact CE3-CZ 3.8Å; W226-Y283 HydrophobicContact CZ3-CD2 4.03Å; W226-Y283 AromaticContact CZ3-CE2 3.76Å; W226-Y283 HydrophobicContact CZ3-CE2 3.76Å
227	E	98	Very high	98.2	Very high	120 Å²	120	39 Å²	39	56%	0.561	19%	0.192	S	C	*	.	H	α-helix	trans	-68.8	-25.2	175	-72.5	170	175.7	0	0	112.4	M223 R224 L225	M223-E227 VanDerWaalsContact O-CG 3.3Å; M223-E227 WeakPolarHBondContact O-CG 3.49Å; M223-E227 PolarHBondContact O-N 3.06Å; R224-E227 IonicContact NH1-OE2 3.83Å; R224-E227 PolarHBondContact NH1-OE2 2.91Å; R224-E227 VanDerWaalsContact NH1-OE2 3.13Å; R224-E227 PolarHBondContact O-N 3.31Å; L225-E227 PolarHBondContact O-N 3.01Å
228	S	97.6	Very high	98.2	Very high	22 Å²	22	40.6 Å²	40.6	15%	0.154	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-1.2	-174.7	73.4	0	0	0	0	115.5	R224 L225 W226 W246	R224-S228 WeakPolarHBondContact O-CB 3.26Å; R224-S228 PolarHBondContact O-N 2.98Å; R224-S228 PolarHBondContact O-OG 3.06Å; L225-S228 WeakPolarHBondContact CA-OG 3.27Å; L225-S228 PolarHBondContact O-N 3.44Å; L225-S228 VanDerWaalsContact O-N 3.1Å; L225-S228 PolarHBondContact O-OG 2.81Å; W226-S228 VanDerWaalsContact C-N 3.25Å; W226-S228 PolarHBondContact O-N 3.04Å; S228-W246 PolarHBondContact O-NE1 3.13Å; S228-W246 WeakPolarHBondContact OG-CZ2 3.29Å
229	R	98.1	Very high	98.2	Very high	67 Å²	67	40.6 Å²	40.6	25%	0.253	20%	0.197	S	C	.	.			trans	-58.1	155.4	-179.4	-67.6	176.4	-67.6	173.9	0.6	113.1	W226 L234 V235 Y283	W226-R229 VanDerWaalsContact CD2-NH2 3.28Å; W226-R229 VanDerWaalsContact CE2-CZ 3.4Å; W226-R229 VanDerWaalsContact CE3-NH1 3.29Å; W226-R229 VanDerWaalsContact CH2-CZ 3.44Å; W226-R229 VanDerWaalsContact CZ2-CZ 3.47Å; W226-R229 WeakPolarHBondContact O-CG 3.29Å; W226-R229 PolarHBondContact O-NE 3.38Å; R229-L234 WeakPolarHBondContact CA-O 3.41Å; R229-V235 HydrophobicContact CG-CG1 3.77Å; R229-Y283 VanDerWaalsContact CD-CZ 3.43Å; R229-Y283 VanDerWaalsContact CD-OH 3.24Å; R229-Y283 WeakPolarHBondContact CD-OH 3.26Å; R229-Y283 HydrophobicContact CG-CE1 3.64Å; R229-Y283 VanDerWaalsContact CG-OH 3.31Å; R229-Y283 WeakPolarHBondContact CG-OH 3.41Å
230	S	98.3	Very high	98.2	Very high	8 Å²	8	39 Å²	39	6%	0.056	19%	0.193	C	C	.	.			trans	-69.5	167.6	169.1	70.2	0	0	0	0	112.5	I232 G233 L234 M302	S230-I232 PolarHBondContact O-N 3.32Å; S230-I232 VanDerWaalsContact O-N 3.11Å; S230-I232 VanDerWaalsContact OG-CG1 3.26Å; S230-I232 WeakPolarHBondContact OG-CG1 3.42Å; S230-I232 PolarHBondContact OG-N 3.41Å; S230-G233 WeakPolarHBondContact O-CA 3.16Å; S230-G233 PolarHBondContact O-N 3.42Å; S230-G233 PolarHBondContact OG-N 2.87Å; S230-L234 PolarHBondContact N-O 3.4Å; S230-L234 PolarHBondContact OG-N 2.83Å; S230-L234 PolarHBondContact OG-O 3.44Å; S230-M302 WeakPolarHBondContact CB-O 3.49Å; S230-M302 PolarHBondContact OG-O 2.57Å
231	D	97.7	Very high	98.2	Very high	167 Å²	167	36 Å²	36	89%	0.893	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.2	175.1	-61.6	-31.2	0	0	0	113.4
232	I	98	Very high	98.2	Very high	36 Å²	36	39.2 Å²	39.2	19%	0.185	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	6.2	175	66.4	168.1	0	0	0	113.1	S230 L234 A286 Y290 M302	S230-I232 PolarHBondContact O-N 3.32Å; S230-I232 VanDerWaalsContact O-N 3.11Å; S230-I232 VanDerWaalsContact OG-CG1 3.26Å; S230-I232 WeakPolarHBondContact OG-CG1 3.42Å; S230-I232 PolarHBondContact OG-N 3.41Å; I232-L234 HydrophobicContact CD1-CD1 3.9Å; I232-L234 HydrophobicContact CD1-CG 4.39Å; I232-L234 HydrophobicContact CG1-CD1 4.34Å; I232-L234 HydrophobicContact CG1-CG 4.3Å; I232-A286 WeakPolarHBondContact O-CB 3.27Å; I232-Y290 HydrophobicContact CB-CD2 4.33Å; I232-Y290 HydrophobicContact CB-CE2 3.74Å; I232-Y290 HydrophobicContact CD1-CD1 4.26Å; I232-Y290 HydrophobicContact CD1-CD2 4.17Å; I232-Y290 HydrophobicContact CD1-CE1 4.36Å; I232-Y290 HydrophobicContact CD1-CE2 4.3Å; I232-Y290 HydrophobicContact CD1-CG 4.17Å; I232-Y290 HydrophobicContact CG1-CE2 4.42Å; I232-Y290 HydrophobicContact CG2-CE2 4.46Å; I232-M302 VanDerWaalsContact CD1-O 3.25Å; I232-M302 WeakPolarHBondContact CD1-O 3.46Å; I232-M302 WeakPolarHBondContact CG1-O 3.25Å
233	G	97.8	Very high	98.1	Very high	16 Å²	16	43 Å²	43	17%	0.165	22%	0.215	C	C	.	.	S	Bend	trans	85.4	10.4	171.3	0	0	0	0	0	115.7	S230 Y283	S230-G233 WeakPolarHBondContact O-CA 3.16Å; S230-G233 PolarHBondContact O-N 3.42Å; S230-G233 PolarHBondContact OG-N 2.87Å; G233-Y283 WeakPolarHBondContact O-CD1 3.46Å
234	L	98.4	Very high	98.1	Very high	5 Å²	5	42.2 Å²	42.2	3%	0.026	22%	0.218	C	C	.	.			trans	-95.9	157.7	179.4	-61.1	178.5	0	0	0	112	R229 S230 I232 A251 A286 I287 T291 V300 M302	R229-L234 WeakPolarHBondContact CA-O 3.41Å; S230-L234 PolarHBondContact N-O 3.4Å; S230-L234 PolarHBondContact OG-N 2.83Å; S230-L234 PolarHBondContact OG-O 3.44Å; I232-L234 HydrophobicContact CD1-CD1 3.9Å; I232-L234 HydrophobicContact CD1-CG 4.39Å; I232-L234 HydrophobicContact CG1-CD1 4.34Å; I232-L234 HydrophobicContact CG1-CG 4.3Å; L234-A251 HydrophobicContact CB-CB 4.08Å; L234-A251 HydrophobicContact CD1-CB 4.05Å; L234-A286 HydrophobicContact CD2-CB 3.85Å; L234-A286 HydrophobicContact CG-CB 4.48Å; L234-I287 HydrophobicContact CD2-CG1 4.33Å; L234-T291 HydrophobicContact CD2-CG2 4.43Å; L234-V300 HydrophobicContact CD1-CG2 3.71Å; L234-M302 HydrophobicContact CB-CB 4.17Å; L234-M302 WeakPolarHBondContact O-CE 3.37Å
235	V	98.3	Very high	98	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.012	23%	0.23	C	C	.	.			trans	-109.1	150.2	169.5	-72.3	0	0	0	0	109.9	T192 R229 W246 A251 V257 Y260 F261 Y283	T192-V235 HydrophobicContact CG2-CG2 4.2Å; R229-V235 HydrophobicContact CG-CG1 3.77Å; V235-W246 HydrophobicContact CB-CH2 3.65Å; V235-W246 HydrophobicContact CB-CZ2 3.8Å; V235-W246 HydrophobicContact CG1-CH2 4.07Å; V235-W246 HydrophobicContact CG1-CZ2 3.89Å; V235-A251 WeakPolarHBondContact O-CB 3.12Å; V235-V257 HydrophobicContact CG2-CG1 3.83Å; V235-Y260 HydrophobicContact CG1-CE1 4.39Å; V235-Y260 HydrophobicContact CG2-CE1 4.4Å; V235-F261 HydrophobicContact CG2-CE1 4.45Å; V235-F261 HydrophobicContact CG2-CZ 3.98Å; V235-Y283 HydrophobicContact CG1-CE1 3.92Å
236	G	97.6	Very high	98	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.234	C	C	.	.			trans	-80.2	-173.6	172.4	0	0	0	0	0	111.6	T192 W246 A248 D250	T192-G236 PolarHBondContact OG1-O 2.84Å; G236-W246 VanDerWaalsContact CA-CE3 3.47Å; G236-W246 WeakPolarHBondContact O-CZ3 3.43Å; G236-A248 CarbonylContact C-O 3.59Å; G236-A248 WeakPolarHBondContact CA-O 3.26Å; G236-D250 CarbonylContact C-O 3.57Å
237	N	97.6	Very high	98	Very high	18 Å²	18	47.3 Å²	47.3	10%	0.096	25%	0.251	C	S	.	.	S	Bend	trans	-89.5	-41.7	-177.8	-164.7	-90	0	0	0	112.6	C191 T192 A248 D250 A255	C191-N237 CarbonylContact C-O 3.56Å; C191-N237 WeakPolarHBondContact CA-O 3.35Å; T192-N237 PolarHBondContact N-O 3.19Å; N237-A248 HydrophobicContact CB-CB 4.06Å; N237-A248 PolarHBondContact N-O 2.88Å; N237-D250 WeakPolarHBondContact CB-O 3.34Å; N237-D250 PolarHBondContact N-O 3.4Å; N237-A255 PolarHBondContact ND2-O 2.89Å
238	H	98.5	Very high	98	Very high	65 Å²	65	43 Å²	43	30%	0.301	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	139.6	-179.8	-71.4	68.3	0	0	0	112.1	V189 T190 V247 A248	V189-H238 HydrophobicContact CG1-CB 3.82Å; T190-H238 WeakPolarHBondContact O-CA 3.22Å; H238-V247 PolarHBondContact O-N 3.02Å; H238-A248 HydrophobicContact CB-CB 3.94Å; H238-A248 PolarHBondContact N-O 3.23Å; H238-A248 PolarHBondContact O-N 3.29Å; H238-A248 VanDerWaalsContact O-N 3.11Å
239	I	98.6	Very high	97.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	143.3	-176.3	-170.3	167.9	0	0	0	110.3	M171 V189 T190 I195 V241 W246	M171-I239 HydrophobicContact CE-CD1 3.94Å; M171-I239 HydrophobicContact CE-CG1 4.43Å; M171-I239 HydrophobicContact SD-CD1 4.15Å; M171-I239 HydrophobicContact SD-CG2 4.33Å; V189-I239 WeakPolarHBondContact CA-O 3.49Å; T190-I239 PolarHBondContact N-O 2.98Å; T190-I239 PolarHBondContact O-N 3.44Å; I195-I239 HydrophobicContact CD1-CG2 3.21Å; I239-V241 PolarHBondContact O-N 3.38Å; I239-W246 HydrophobicContact CB-CD2 4.31Å; I239-W246 HydrophobicContact CB-CE3 3.79Å; I239-W246 HydrophobicContact CB-CH2 4.41Å; I239-W246 HydrophobicContact CB-CZ3 3.83Å; I239-W246 HydrophobicContact CD1-CD2 4.28Å; I239-W246 HydrophobicContact CD1-CE3 4.5Å; I239-W246 HydrophobicContact CD1-CH2 4.35Å; I239-W246 HydrophobicContact CD1-CZ2 4.17Å; I239-W246 HydrophobicContact CG1-CD2 4.4Å; I239-W246 HydrophobicContact CG1-CE3 4.38Å; I239-W246 HydrophobicContact CG2-CZ3 4.41Å
240	D	98.6	Very high	97.9	Very high	31 Å²	31	44.8 Å²	44.8	17%	0.166	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	114.2	169.5	178.5	-62.4	0	0	0	109.3	P188 L242 T243 G244 K245 V247	P188-D240 CarbonylContact O-C 3.57Å; P188-D240 WeakPolarHBondContact O-CA 3.49Å; D240-L242 PolarHBondContact O-N 3.32Å; D240-L242 WeakPolarHBondContact OD1-CB 3.45Å; D240-L242 PolarHBondContact OD1-N 3.12Å; D240-T243 WeakPolarHBondContact CB-OG1 3.36Å; D240-T243 PolarHBondContact O-N 3.33Å; D240-T243 PolarHBondContact OD1-N 3.14Å; D240-T243 PolarHBondContact OD1-OG1 2.84Å; D240-G244 WeakPolarHBondContact O-CA 2.98Å; D240-G244 PolarHBondContact O-N 2.94Å; D240-K245 PolarHBondContact N-O 3.29Å; D240-V247 HydrophobicContact CB-CG2 4.16Å
241	V	98.4	Very high	97.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-12.4	-172.2	-53.9	0	0	0	0	113.6	T167 T169 M171 P172 Y173 P188 I195 I239	T167-V241 HydrophobicContact CG2-CG2 3.9Å; T169-V241 WeakPolarHBondContact CB-O 3.36Å; T169-V241 WeakPolarHBondContact CG2-O 3.2Å; T169-V241 PolarHBondContact OG1-O 2.97Å; M171-V241 HydrophobicContact CB-CB 3.98Å; M171-V241 HydrophobicContact CB-CG1 4.01Å; P172-V241 WeakPolarHBondContact O-CG1 3.22Å; Y173-V241 HydrophobicContact CD1-CG2 4.23Å; Y173-V241 HydrophobicContact CE1-CG2 4.31Å; Y173-V241 HydrophobicContact CG-CG2 4.46Å; P188-V241 HydrophobicContact CB-CG2 4.31Å; P188-V241 WeakPolarHBondContact O-CG1 3.39Å; P188-V241 WeakPolarHBondContact O-CG2 3.41Å; P188-V241 PolarHBondContact O-N 3.19Å; I195-V241 HydrophobicContact CD1-CG1 3.9Å; I195-V241 HydrophobicContact CG1-CG1 4.43Å; I239-V241 PolarHBondContact O-N 3.38Å
242	L	98	Very high	97.7	Very high	68 Å²	68	37 Å²	37	36%	0.356	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-37.4	175.1	-63	-178.5	0	0	0	111.5	T167 P168 Y173 P188 D240	T167-L242 HydrophobicContact CG2-CD2 4.41Å; P168-L242 VanDerWaalsContact CD-CD2 3.5Å; P168-L242 HydrophobicContact CG-CD2 4.29Å; Y173-L242 WeakPolarHBondContact OH-CD2 3.37Å; P188-L242 HydrophobicContact CB-CB 4.47Å; P188-L242 HydrophobicContact CB-CD1 3.78Å; P188-L242 HydrophobicContact CB-CG 3.74Å; P188-L242 HydrophobicContact CG-CD1 4.4Å; D240-L242 PolarHBondContact O-N 3.32Å; D240-L242 WeakPolarHBondContact OD1-CB 3.45Å; D240-L242 PolarHBondContact OD1-N 3.12Å
243	T	97.8	Very high	97.7	Very high	82 Å²	82	35.2 Å²	35.2	50%	0.503	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-18	-172.2	64.3	0	0	0	0	114.3	D240 K245	D240-T243 WeakPolarHBondContact CB-OG1 3.36Å; D240-T243 PolarHBondContact O-N 3.33Å; D240-T243 PolarHBondContact OD1-N 3.14Å; D240-T243 PolarHBondContact OD1-OG1 2.84Å; T243-K245 VanDerWaalsContact C-N 3.31Å; T243-K245 PolarHBondContact OG1-N 3.45Å
244	G	96.9	Very high	97.6	Very high	27 Å²	27	34.6 Å²	34.6	28%	0.278	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	20.7	-173.9	0	0	0	0	0	114.1	D240	D240-G244 WeakPolarHBondContact O-CA 2.98Å; D240-G244 PolarHBondContact O-N 2.94Å
245	K	97.9	Very high	97.3	Very high	147 Å²	147	35.5 Å²	35.5	64%	0.639	20%	0.199	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100	132.4	-178.2	-67.7	-177.8	179.8	177.4	0	111.8	D240 T243 V247	D240-K245 PolarHBondContact N-O 3.29Å; T243-K245 VanDerWaalsContact C-N 3.31Å; T243-K245 PolarHBondContact OG1-N 3.45Å; K245-V247 PolarHBondContact O-N 3.16Å
246	W	98.4	Very high	97.2	Very high	21 Å²	21	36.2 Å²	36.2	8%	0.08	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	125.4	175.6	-65.2	105.4	0	0	0	112.2	T192 L225 S228 V235 G236 I239 Q249 M302	T192-W246 WeakPolarHBondContact OG1-CH2 3.29Å; T192-W246 VanDerWaalsContact OG1-CZ3 3.3Å; T192-W246 WeakPolarHBondContact OG1-CZ3 3.42Å; L225-W246 HydrophobicContact CD2-CH2 4.3Å; S228-W246 PolarHBondContact O-NE1 3.13Å; S228-W246 WeakPolarHBondContact OG-CZ2 3.29Å; V235-W246 HydrophobicContact CB-CH2 3.65Å; V235-W246 HydrophobicContact CB-CZ2 3.8Å; V235-W246 HydrophobicContact CG1-CH2 4.07Å; V235-W246 HydrophobicContact CG1-CZ2 3.89Å; G236-W246 VanDerWaalsContact CA-CE3 3.47Å; G236-W246 WeakPolarHBondContact O-CZ3 3.43Å; I239-W246 HydrophobicContact CB-CD2 4.31Å; I239-W246 HydrophobicContact CB-CE3 3.79Å; I239-W246 HydrophobicContact CB-CH2 4.41Å; I239-W246 HydrophobicContact CB-CZ3 3.83Å; I239-W246 HydrophobicContact CD1-CD2 4.28Å; I239-W246 HydrophobicContact CD1-CE3 4.5Å; I239-W246 HydrophobicContact CD1-CH2 4.35Å; I239-W246 HydrophobicContact CD1-CZ2 4.17Å; I239-W246 HydrophobicContact CG1-CD2 4.4Å; I239-W246 HydrophobicContact CG1-CE3 4.38Å; I239-W246 HydrophobicContact CG2-CZ3 4.41Å; W246-Q249 HydrophobicContact CB-CG 3.99Å; W246-M302 HydrophobicContact CB-SD 4.17Å; W246-M302 HydrophobicContact CD2-CE 4.12Å; W246-M302 HydrophobicContact CD2-SD 4.05Å; W246-M302 HydrophobicContact CG-CE 4.05Å; W246-M302 HydrophobicContact CG-SD 3.73Å; W246-M302 HydrophobicContact CZ2-CE 4.38Å
247	V	97.8	Very high	97.2	Very high	91 Å²	91	36.2 Å²	36.2	55%	0.552	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	-42.6	176.9	-178.6	0	0	0	0	110.6	V189 H238 D240 K245	V189-V247 HydrophobicContact CG1-CB 4.11Å; V189-V247 HydrophobicContact CG1-CG1 4.33Å; V189-V247 HydrophobicContact CG1-CG2 4.14Å; V189-V247 HydrophobicContact CG2-CG2 4.01Å; H238-V247 PolarHBondContact O-N 3.02Å; D240-V247 HydrophobicContact CB-CG2 4.16Å; K245-V247 PolarHBondContact O-N 3.16Å
248	A	97.2	Very high	97.2	Very high	29 Å²	29	36.3 Å²	36.3	24%	0.24	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	118.2	169.2	0	0	0	0	0	109.5	G236 N237 H238	G236-A248 CarbonylContact C-O 3.59Å; G236-A248 WeakPolarHBondContact CA-O 3.26Å; N237-A248 HydrophobicContact CB-CB 4.06Å; N237-A248 PolarHBondContact N-O 2.88Å; H238-A248 HydrophobicContact CB-CB 3.94Å; H238-A248 PolarHBondContact N-O 3.23Å; H238-A248 PolarHBondContact O-N 3.29Å; H238-A248 VanDerWaalsContact O-N 3.11Å
249	Q	97.1	Very high	97.2	Very high	75 Å²	75	33.3 Å²	33.3	35%	0.35	19%	0.193	S	C	.	.			trans	-103.9	5.8	-170	-63.5	-178.6	0.6	0	0	113.5	W246 Q301 M302 Y303	W246-Q249 HydrophobicContact CB-CG 3.99Å; Q249-Q301 VanDerWaalsContact OE1-NE2 3.15Å; Q249-M302 HydrophobicContact CB-CG 4.08Å; Q249-M302 HydrophobicContact CB-SD 4.08Å; Q249-M302 HydrophobicContact CG-SD 4.17Å; Q249-M302 WeakPolarHBondContact O-CB 3.17Å; Q249-M302 WeakPolarHBondContact O-CG 3.41Å; Q249-M302 PolarHBondContact O-N 3.17Å; Q249-Y303 HydrophobicContact CG-CE2 4.4Å
250	D	96.3	Very high	97.2	Very high	53 Å²	53	33.3 Å²	33.3	28%	0.283	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	131.6	167.5	-66.8	-68.4	0	0	0	108.9	G236 N237 W299 S308	G236-D250 CarbonylContact C-O 3.57Å; N237-D250 WeakPolarHBondContact CB-O 3.34Å; N237-D250 PolarHBondContact N-O 3.4Å; D250-W299 HydrophobicContact CB-CE3 3.7Å; D250-W299 HydrophobicContact CB-CZ3 4.04Å; D250-S308 WeakPolarHBondContact OD1-CB 3.5Å; D250-S308 PolarHBondContact OD1-OG 2.84Å
251	A	96.9	Very high	97.2	Very high	2 Å²	2	32 Å²	32	2%	0.017	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	139.7	-180	0	0	0	0	0	108.9	L234 V235 W299 V300 M302	L234-A251 HydrophobicContact CB-CB 4.08Å; L234-A251 HydrophobicContact CD1-CB 4.05Å; V235-A251 WeakPolarHBondContact O-CB 3.12Å; A251-W299 WeakPolarHBondContact O-CA 3.13Å; A251-V300 HydrophobicContact CB-CG2 4.23Å; A251-V300 PolarHBondContact N-O 3.48Å; A251-V300 PolarHBondContact O-N 3.04Å; A251-M302 HydrophobicContact CB-CB 3.9Å
252	G	96.3	Very high	97.2	Very high	8 Å²	8	32.2 Å²	32.2	8%	0.082	19%	0.187	C	C	.	.			trans	-168.3	-171.6	178	0	0	0	0	0	109.2
253	I	97.4	Very high	97.3	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-105.3	-4.1	175.9	62	168.9	0	0	0	112.9	D258 F261 I287 Y297 E316 Y318 W319	I253-D258 VanDerWaalsContact O-CA 3.26Å; I253-D258 WeakPolarHBondContact O-CA 3.35Å; I253-F261 HydrophobicContact CG2-CE2 4.41Å; I253-I287 HydrophobicContact CG2-CD1 3.98Å; I253-I287 HydrophobicContact CG2-CG1 4.32Å; I253-I287 HydrophobicContact CG2-CG2 3.65Å; I253-Y297 VanDerWaalsContact CD1-CB 3.42Å; I253-Y297 HydrophobicContact CD1-CD1 3.86Å; I253-Y297 HydrophobicContact CD1-CD2 3.74Å; I253-Y297 HydrophobicContact CD1-CE2 4.47Å; I253-Y297 HydrophobicContact CD1-CG 3.39Å; I253-Y297 HydrophobicContact CG1-CG 4.16Å; I253-Y297 HydrophobicContact CG2-CD1 4.35Å; I253-E316 HydrophobicContact CD1-CB 4.25Å; I253-E316 HydrophobicContact CG1-CB 4.15Å; I253-E316 HydrophobicContact CG1-CG 3.94Å; I253-Y318 VanDerWaalsContact O-CE1 3.24Å; I253-Y318 WeakPolarHBondContact O-CE1 3.45Å; I253-Y318 PolarHBondContact O-OH 3.23Å; I253-W319 HydrophobicContact CB-CD2 4.41Å; I253-W319 HydrophobicContact CB-CE3 4.07Å; I253-W319 HydrophobicContact CB-CZ3 4.38Å; I253-W319 HydrophobicContact CD1-CB 3.64Å; I253-W319 HydrophobicContact CD1-CD2 3.72Å; I253-W319 HydrophobicContact CD1-CE3 4.19Å; I253-W319 HydrophobicContact CD1-CG 3.46Å; I253-W319 VanDerWaalsContact CD1-CG 3.46Å; I253-W319 HydrophobicContact CG2-CD2 4.32Å; I253-W319 HydrophobicContact CG2-CE3 4.1Å; I253-W319 HydrophobicContact CG2-CH2 4.21Å; I253-W319 HydrophobicContact CG2-CZ2 4.44Å; I253-W319 HydrophobicContact CG2-CZ3 4.03Å
254	G	94.9	Very high	97.3	Very high	2 Å²	2	25 Å²	25	2%	0.021	15%	0.146	C	C	.	.	S	Bend	trans	-95.2	-145.4	-175.2	0	0	0	0	0	113.8	G256 V257 D258 E316	G254-G256 PolarHBondContact O-N 3.5Å; G254-V257 PolarHBondContact O-N 3.44Å; G254-D258 PolarHBondContact O-N 3Å; G254-E316 VanDerWaalsContact CA-CG 3.42Å
255	A	93.5	Very high	97.4	Very high	25 Å²	25	23.8 Å²	23.8	21%	0.207	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.5	122.1	-164.6	0	0	0	0	0	113.7	N237 D258 Q313 L315	N237-A255 PolarHBondContact ND2-O 2.89Å; A255-D258 WeakPolarHBondContact CA-OD2 3.42Å; A255-Q313 VanDerWaalsContact N-OE1 3.09Å; A255-L315 HydrophobicContact CB-CD1 3.53Å
256	G	95.1	Very high	97.4	Very high	16 Å²	16	16.9 Å²	16.9	17%	0.165	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	2.5	175.9	0	0	0	0	0	114.5	T192 A193 G254	T192-G256 WeakPolarHBondContact CB-O 3.37Å; T192-G256 PolarHBondContact N-O 3.32Å; A193-G256 PolarHBondContact N-O 3.47Å; G254-G256 PolarHBondContact O-N 3.5Å
257	V	97.6	Very high	97.4	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.006	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.2	-40.3	173.5	-170.8	0	0	0	0	111.4	T192 V235 G254 S259 Y260 F261	T192-V257 HydrophobicContact CG2-CG1 4.12Å; V235-V257 HydrophobicContact CG2-CG1 3.83Å; G254-V257 PolarHBondContact O-N 3.44Å; V257-S259 PolarHBondContact O-N 3Å; V257-Y260 VanDerWaalsContact O-CB 3.29Å; V257-Y260 WeakPolarHBondContact O-CB 3.22Å; V257-Y260 PolarHBondContact O-N 3.47Å; V257-Y260 VanDerWaalsContact O-N 3.1Å; V257-F261 HydrophobicContact CG1-CD2 4.14Å; V257-F261 HydrophobicContact CG1-CE2 3.41Å; V257-F261 VanDerWaalsContact CG1-CE2 3.41Å; V257-F261 HydrophobicContact CG1-CZ 3.75Å
258	D	97.9	Very high	97.5	Very high	20 Å²	20	11.7 Å²	11.7	11%	0.107	7%	0.074	C	C	.	.	H	α-helix	trans	-13.7	-81.5	171.1	42.7	27.8	0	0	0	116.7	A193 I253 G254 A255 Y260 F261 E262 Y318	A193-D258 WeakPolarHBondContact CB-OD1 3.39Å; I253-D258 VanDerWaalsContact O-CA 3.26Å; I253-D258 WeakPolarHBondContact O-CA 3.35Å; G254-D258 PolarHBondContact O-N 3Å; A255-D258 WeakPolarHBondContact CA-OD2 3.42Å; D258-Y260 PolarHBondContact O-N 3.39Å; D258-F261 PolarHBondContact O-N 2.9Å; D258-E262 PolarHBondContact O-N 2.78Å; D258-Y318 WeakPolarHBondContact CA-OH 3.17Å; D258-Y318 HydrophobicContact CB-CD1 4.43Å; D258-Y318 HydrophobicContact CB-CE1 3.81Å; D258-Y318 PolarHBondContact O-OH 3.29Å
259	S	98.4	Very high	97.4	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.007	7%	0.07	C	C	.	.	H	α-helix	trans	-69.2	-12.8	-167.5	62.9	0	0	0	0	113.4	A193 T197 V257 E262 Y263 T475	A193-S259 WeakPolarHBondContact CB-OG 3.43Å; T197-S259 WeakPolarHBondContact CG2-OG 3.36Å; T197-S259 PolarHBondContact OG1-OG 3.05Å; V257-S259 PolarHBondContact O-N 3Å; S259-E262 WeakPolarHBondContact O-CB 3.5Å; S259-Y263 VanDerWaalsContact O-CB 3.32Å; S259-Y263 WeakPolarHBondContact O-CB 3Å; S259-Y263 WeakPolarHBondContact O-CD1 3.28Å; S259-Y263 PolarHBondContact O-N 3.28Å; S259-T475 WeakPolarHBondContact CB-OG1 3.5Å
260	Y	98.6	Very high	97.4	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-64.3	-46.1	168.4	167.8	-128.4	0	0	0	111.3	T192 L222 L225 W226 V235 V257 D258 E262 Y263 L264 Y283	T192-Y260 HydrophobicContact CG2-CD1 3.46Å; T192-Y260 VanDerWaalsContact CG2-CD1 3.46Å; T192-Y260 HydrophobicContact CG2-CE1 4.09Å; T192-Y260 HydrophobicContact CG2-CG 3.88Å; L222-Y260 HydrophobicContact CD2-CD2 3.63Å; L222-Y260 HydrophobicContact CD2-CE2 3.47Å; L222-Y260 VanDerWaalsContact CD2-CE2 3.47Å; L225-Y260 HydrophobicContact CB-CE1 4.34Å; L225-Y260 HydrophobicContact CB-CE2 4.12Å; L225-Y260 WeakPolarHBondContact CB-OH 3.45Å; L225-Y260 HydrophobicContact CD1-CD1 4.48Å; L225-Y260 HydrophobicContact CD1-CD2 3.84Å; L225-Y260 HydrophobicContact CD1-CE1 4.39Å; L225-Y260 HydrophobicContact CD1-CE2 3.74Å; L225-Y260 HydrophobicContact CD1-CG 4.19Å; W226-Y260 PolarHBondContact N-OH 2.69Å; V235-Y260 HydrophobicContact CG1-CE1 4.39Å; V235-Y260 HydrophobicContact CG2-CE1 4.4Å; V257-Y260 VanDerWaalsContact O-CB 3.29Å; V257-Y260 WeakPolarHBondContact O-CB 3.22Å; V257-Y260 PolarHBondContact O-N 3.47Å; V257-Y260 VanDerWaalsContact O-N 3.1Å; D258-Y260 PolarHBondContact O-N 3.39Å; Y260-E262 VanDerWaalsContact C-N 3.33Å; Y260-Y263 PolarHBondContact O-N 3.31Å; Y260-L264 HydrophobicContact CD2-CG 4.41Å; Y260-L264 HydrophobicContact CE2-CD1 4.1Å; Y260-L264 HydrophobicContact CE2-CD2 4.16Å; Y260-L264 HydrophobicContact CE2-CG 4.15Å; Y260-L264 WeakPolarHBondContact O-CG 3.43Å; Y260-L264 PolarHBondContact O-N 3.43Å; Y260-Y283 AromaticContact CE1-CE2 3.83Å; Y260-Y283 HydrophobicContact CE1-CE2 3.83Å; Y260-Y283 AromaticContact CE1-CZ 3.74Å; Y260-Y283 AromaticContact CZ-CE2 3.85Å; Y260-Y283 AromaticContact CZ-CZ 3.98Å; Y260-Y283 WeakPolarHBondContact OH-CE2 3.38Å; Y260-Y283 PolarHBondContact OH-OH 3.31Å
261	F	98.8	Very high	97.4	Very high	4 Å²	4	7.8 Å²	7.8	2%	0.018	5%	0.051	C	C	.	.	H	α-helix	trans	-68.3	-38.9	176.8	-62.9	-49.3	0	0	0	111.4	V235 I253 V257 D258 Y263 L264 V265 F280 Y283 I287 W319 L322	V235-F261 HydrophobicContact CG2-CE1 4.45Å; V235-F261 HydrophobicContact CG2-CZ 3.98Å; I253-F261 HydrophobicContact CG2-CE2 4.41Å; V257-F261 HydrophobicContact CG1-CD2 4.14Å; V257-F261 HydrophobicContact CG1-CE2 3.41Å; V257-F261 VanDerWaalsContact CG1-CE2 3.41Å; V257-F261 HydrophobicContact CG1-CZ 3.75Å; D258-F261 PolarHBondContact O-N 2.9Å; F261-Y263 VanDerWaalsContact C-N 3.31Å; F261-Y263 PolarHBondContact O-N 3.32Å; F261-L264 HydrophobicContact CD1-CD1 4.47Å; F261-L264 PolarHBondContact O-N 2.02Å; F261-V265 PolarHBondContact O-N 2.88Å; F261-F280 HydrophobicContact CB-CD2 4.29Å; F261-F280 HydrophobicContact CB-CE2 4.22Å; F261-Y283 HydrophobicContact CD1-CD2 4.09Å; F261-Y283 HydrophobicContact CD1-CG 4.07Å; F261-Y283 AromaticContact CE1-CD1 3.68Å; F261-Y283 HydrophobicContact CE1-CD1 3.68Å; F261-Y283 AromaticContact CE1-CD2 3.86Å; F261-Y283 HydrophobicContact CE1-CD2 3.86Å; F261-Y283 HydrophobicContact CE1-CE1 4.14Å; F261-Y283 HydrophobicContact CE1-CE2 4.31Å; F261-Y283 AromaticContact CE1-CG 3.52Å; F261-Y283 HydrophobicContact CE1-CG 3.52Å; F261-Y283 HydrophobicContact CZ-CD1 4.39Å; F261-I287 HydrophobicContact CD1-CD1 4.43Å; F261-I287 HydrophobicContact CD2-CD1 4.18Å; F261-I287 HydrophobicContact CE1-CD1 4.09Å; F261-I287 HydrophobicContact CE2-CD1 3.78Å; F261-I287 HydrophobicContact CG-CD1 4.49Å; F261-I287 HydrophobicContact CZ-CD1 3.75Å; F261-W319 HydrophobicContact CB-CZ3 3.88Å; F261-W319 HydrophobicContact CD2-CZ3 4.01Å; F261-W319 HydrophobicContact CG-CZ3 4.15Å; F261-L322 HydrophobicContact CB-CD2 4.34Å
262	E	98.8	Very high	97.3	Very high	4 Å²	4	14.6 Å²	14.6	2%	0.019	8%	0.082	C	C	.	.	H	α-helix	trans	-55.1	-48.1	174.2	-161.3	-163.9	139.3	0	0	111.3	D258 S259 Y260 L264 V265 K266 Y318 L322 T475	D258-E262 PolarHBondContact O-N 2.78Å; S259-E262 WeakPolarHBondContact O-CB 3.5Å; Y260-E262 VanDerWaalsContact C-N 3.33Å; E262-L264 VanDerWaalsContact C-N 3.33Å; E262-L264 PolarHBondContact O-N 3.38Å; E262-V265 PolarHBondContact O-N 2.83Å; E262-V265 VanDerWaalsContact O-N 3.12Å; E262-K266 HydrophobicContact CG-CD 3.88Å; E262-K266 HydrophobicContact CG-CG 4.15Å; E262-K266 WeakPolarHBondContact O-CB 3.35Å; E262-K266 WeakPolarHBondContact O-CG 3.41Å; E262-K266 PolarHBondContact O-N 3.28Å; E262-K266 WeakPolarHBondContact OE1-CD 3.26Å; E262-K266 WeakPolarHBondContact OE1-CE 3.28Å; E262-K266 IonicContact OE1-NZ 3.76Å; E262-K266 PolarHBondContact OE1-NZ 3.35Å; E262-Y318 HydrophobicContact CB-CD2 4.33Å; E262-Y318 HydrophobicContact CB-CE2 3.95Å; E262-Y318 HydrophobicContact CG-CD2 4.27Å; E262-Y318 HydrophobicContact CG-CE2 4.36Å; E262-L322 HydrophobicContact CG-CD1 4.21Å; E262-T475 VanDerWaalsContact OE1-CA 3.29Å; E262-T475 WeakPolarHBondContact OE1-CA 3.46Å; E262-T475 WeakPolarHBondContact OE2-CB 3.44Å; E262-T475 PolarHBondContact OE2-OG1 2.8Å
263	Y	98.8	Very high	97.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-73.5	-23.4	-176.2	-89.2	36.2	0	0	0	113.6	T197 I199 V200 E201 S259 Y260 F261 G267 N474 T475	T197-Y263 VanDerWaalsContact C-CD2 3.45Å; T197-Y263 VanDerWaalsContact CA-CD2 3.43Å; T197-Y263 HydrophobicContact CG2-CD1 3.87Å; T197-Y263 HydrophobicContact CG2-CD2 3.7Å; T197-Y263 HydrophobicContact CG2-CE1 3.62Å; T197-Y263 HydrophobicContact CG2-CE2 3.39Å; T197-Y263 HydrophobicContact CG2-CG 3.92Å; I199-Y263 HydrophobicContact CG2-CD2 3.92Å; I199-Y263 HydrophobicContact CG2-CG 4.31Å; V200-Y263 HydrophobicContact CB-CD2 4.2Å; V200-Y263 HydrophobicContact CB-CE1 4.46Å; V200-Y263 HydrophobicContact CB-CE2 3.74Å; V200-Y263 HydrophobicContact CG2-CD1 4.1Å; V200-Y263 HydrophobicContact CG2-CD2 3.87Å; V200-Y263 HydrophobicContact CG2-CE1 4.04Å; V200-Y263 HydrophobicContact CG2-CE2 3.85Å; V200-Y263 HydrophobicContact CG2-CG 4.02Å; E201-Y263 PolarHBondContact OE1-OH 2.97Å; E201-Y263 VanDerWaalsContact OE2-CE2 3.26Å; E201-Y263 WeakPolarHBondContact OE2-CE2 3.42Å; E201-Y263 PolarHBondContact OE2-OH 2.88Å; S259-Y263 VanDerWaalsContact O-CB 3.32Å; S259-Y263 WeakPolarHBondContact O-CB 3Å; S259-Y263 WeakPolarHBondContact O-CD1 3.28Å; S259-Y263 PolarHBondContact O-N 3.28Å; Y260-Y263 PolarHBondContact O-N 3.31Å; F261-Y263 VanDerWaalsContact C-N 3.31Å; F261-Y263 PolarHBondContact O-N 3.32Å; Y263-G267 VanDerWaalsContact O-CA 3.26Å; Y263-G267 WeakPolarHBondContact O-CA 3.33Å; Y263-G267 PolarHBondContact O-N 3.4Å; Y263-N474 WeakPolarHBondContact OH-CB 3.35Å; Y263-T475 HydrophobicContact CE1-CG2 4.19Å; Y263-T475 PolarHBondContact OH-N 2.79Å
264	L	98.9	Very high	97.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.6	-41.4	168.2	-66.6	175.3	0	0	0	111.3	L222 Y260 F261 E262 A268 L276 M279 F280 Y283	L222-L264 HydrophobicContact CD2-CD2 4.07Å; Y260-L264 HydrophobicContact CD2-CG 4.41Å; Y260-L264 HydrophobicContact CE2-CD1 4.1Å; Y260-L264 HydrophobicContact CE2-CD2 4.16Å; Y260-L264 HydrophobicContact CE2-CG 4.15Å; Y260-L264 WeakPolarHBondContact O-CG 3.43Å; Y260-L264 PolarHBondContact O-N 3.43Å; F261-L264 HydrophobicContact CD1-CD1 4.47Å; F261-L264 PolarHBondContact O-N 2.02Å; E262-L264 VanDerWaalsContact C-N 3.33Å; E262-L264 PolarHBondContact O-N 3.38Å; L264-A268 WeakPolarHBondContact O-CB 3.42Å; L264-A268 PolarHBondContact O-N 3.37Å; L264-A268 VanDerWaalsContact O-N 3.16Å; L264-L276 HydrophobicContact CD2-CD2 3.98Å; L264-L276 WeakPolarHBondContact O-CB 3.25Å; L264-M279 HydrophobicContact CD1-CB 4.33Å; L264-M279 HydrophobicContact CD2-CB 4.29Å; L264-M279 HydrophobicContact CD2-CE 3.95Å; L264-M279 HydrophobicContact CD2-SD 4.42Å; L264-F280 HydrophobicContact CB-CB 3.83Å; L264-F280 HydrophobicContact CD1-CB 4.35Å; L264-Y283 HydrophobicContact CD1-CD2 3.58Å; L264-Y283 HydrophobicContact CD1-CE2 3.63Å
265	V	98.8	Very high	97.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-76.9	-54.3	178.4	178	0	0	0	0	111	F261 E262 G267 A268 I269 M277 F280 L322 L325 I326	F261-V265 PolarHBondContact O-N 2.88Å; E262-V265 PolarHBondContact O-N 2.83Å; E262-V265 VanDerWaalsContact O-N 3.12Å; V265-G267 VanDerWaalsContact C-N 3.34Å; V265-G267 PolarHBondContact O-N 3.23Å; V265-A268 WeakPolarHBondContact O-CB 2.93Å; V265-A268 PolarHBondContact O-N 2.65Å; V265-A268 VanDerWaalsContact O-N 3.13Å; V265-I269 HydrophobicContact CG1-CD1 3.86Å; V265-I269 WeakPolarHBondContact O-CG1 3.36Å; V265-I269 PolarHBondContact O-N 3.32Å; V265-M277 HydrophobicContact CG1-CE 4.23Å; V265-F280 HydrophobicContact CG2-CB 4.08Å; V265-F280 HydrophobicContact CG2-CD1 3.46Å; V265-F280 VanDerWaalsContact CG2-CD1 3.46Å; V265-F280 HydrophobicContact CG2-CD2 3.44Å; V265-F280 VanDerWaalsContact CG2-CD2 3.44Å; V265-F280 HydrophobicContact CG2-CE1 3.66Å; V265-F280 HydrophobicContact CG2-CE2 3.62Å; V265-F280 HydrophobicContact CG2-CG 3.34Å; V265-F280 HydrophobicContact CG2-CZ 3.73Å; V265-L322 HydrophobicContact CB-CD1 3.57Å; V265-L322 HydrophobicContact CB-CG 4.44Å; V265-L322 HydrophobicContact CG1-CD1 3.85Å; V265-L322 HydrophobicContact CG2-CD1 3.72Å; V265-L322 HydrophobicContact CG2-CD2 4.25Å; V265-L322 HydrophobicContact CG2-CG 4.07Å; V265-L325 HydrophobicContact CG1-CB 4.24Å; V265-I326 HydrophobicContact CG1-CG2 3.83Å; V265-I326 HydrophobicContact CG2-CG2 4.24Å
266	K	98.7	Very high	97.7	Very high	3 Å²	3	26.6 Å²	26.6	1%	0.013	13%	0.129	C	C	.	.	H	α-helix	trans	-64	-41.1	-176.3	-65.9	-163	-180	172.6	0	111	V200 E262 I269 L270 L325 E375 I472 F473 N474	V200-K266 HydrophobicContact CG2-CB 4.32Å; E262-K266 HydrophobicContact CG-CD 3.88Å; E262-K266 HydrophobicContact CG-CG 4.15Å; E262-K266 WeakPolarHBondContact O-CB 3.35Å; E262-K266 WeakPolarHBondContact O-CG 3.41Å; E262-K266 PolarHBondContact O-N 3.28Å; E262-K266 WeakPolarHBondContact OE1-CD 3.26Å; E262-K266 WeakPolarHBondContact OE1-CE 3.28Å; E262-K266 IonicContact OE1-NZ 3.76Å; E262-K266 PolarHBondContact OE1-NZ 3.35Å; K266-I269 PolarHBondContact O-N 2.78Å; K266-L270 VanDerWaalsContact O-CB 3.29Å; K266-L270 WeakPolarHBondContact O-CB 3.4Å; K266-L270 PolarHBondContact O-N 3.47Å; K266-L325 HydrophobicContact CG-CD1 4.29Å; K266-E375 IonicContact NZ-OE1 3.68Å; K266-E375 PolarHBondContact NZ-OE1 3.17Å; K266-I472 HydrophobicContact CB-CG2 3.86Å; K266-I472 HydrophobicContact CD-CG2 4.39Å; K266-I472 HydrophobicContact CG-CG2 4.39Å; K266-F473 WeakPolarHBondContact CD-O 3.23Å; K266-F473 WeakPolarHBondContact CE-O 3.5Å; K266-F473 PolarHBondContact NZ-O 2.77Å; K266-N474 PolarHBondContact NZ-O 3.24Å
267	G	98.4	Very high	97.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.9	-40	171.7	0	0	0	0	0	113.1	Y263 V265 I269 L271	Y263-G267 VanDerWaalsContact O-CA 3.26Å; Y263-G267 WeakPolarHBondContact O-CA 3.33Å; Y263-G267 PolarHBondContact O-N 3.4Å; V265-G267 VanDerWaalsContact C-N 3.34Å; V265-G267 PolarHBondContact O-N 3.23Å; G267-I269 VanDerWaalsContact C-N 3.33Å; G267-I269 PolarHBondContact O-N 2.63Å; G267-L271 VanDerWaalsContact O-CB 3.32Å; G267-L271 WeakPolarHBondContact O-CB 3.2Å; G267-L271 WeakPolarHBondContact O-CG 3.02Å; G267-L271 PolarHBondContact O-N 3.11Å
268	A	98.5	Very high	97.9	Very high	3 Å²	3	29.1 Å²	29.1	3%	0.025	15%	0.146	C	C	.	.	H	α-helix	trans	-62.1	-39.6	174.4	0	0	0	0	0	112.8	L264 V265 Q272 D273 L276 M277	L264-A268 WeakPolarHBondContact O-CB 3.42Å; L264-A268 PolarHBondContact O-N 3.37Å; L264-A268 VanDerWaalsContact O-N 3.16Å; V265-A268 WeakPolarHBondContact O-CB 2.93Å; V265-A268 PolarHBondContact O-N 2.65Å; V265-A268 VanDerWaalsContact O-N 3.13Å; A268-Q272 CarbonylContact O-C 3.59Å; A268-Q272 WeakPolarHBondContact O-CA 3.12Å; A268-Q272 PolarHBondContact O-N 2.97Å; A268-D273 WeakPolarHBondContact CB-O 3.43Å; A268-D273 PolarHBondContact O-N 3.02Å; A268-L276 HydrophobicContact CB-CB 3.82Å; A268-M277 HydrophobicContact CB-CB 3.82Å; A268-M277 HydrophobicContact CB-CE 4.02Å
269	I	96.8	Very high	97.9	Very high	29 Å²	29	28.4 Å²	28.4	15%	0.149	14%	0.142	C	C	.	.	H	α-helix	trans	-71.1	-49.1	178.4	-62.9	166.2	0	0	0	110.1	V265 K266 G267 L271 Q272 L325 I472	V265-I269 HydrophobicContact CG1-CD1 3.86Å; V265-I269 WeakPolarHBondContact O-CG1 3.36Å; V265-I269 PolarHBondContact O-N 3.32Å; K266-I269 PolarHBondContact O-N 2.78Å; G267-I269 VanDerWaalsContact C-N 3.33Å; G267-I269 PolarHBondContact O-N 2.63Å; I269-L271 PolarHBondContact O-N 3.12Å; I269-Q272 PolarHBondContact O-N 3.16Å; I269-L325 HydrophobicContact CD1-CB 4.39Å; I269-I472 HydrophobicContact CB-CD1 4.2Å; I269-I472 HydrophobicContact CG2-CD1 3.51Å; I269-I472 HydrophobicContact CG2-CG1 4.33Å
270	L	97.1	Very high	97.9	Very high	11 Å²	11	28.3 Å²	28.3	6%	0.058	14%	0.141	C	C	.	.	H	α-helix	trans	-59.2	-44.5	-178.6	179.8	62.2	0	0	0	112.2	V200 K266 I472 I480 P482 L485	V200-L270 HydrophobicContact CB-CD2 4.49Å; V200-L270 HydrophobicContact CG1-CD2 4.02Å; K266-L270 VanDerWaalsContact O-CB 3.29Å; K266-L270 WeakPolarHBondContact O-CB 3.4Å; K266-L270 PolarHBondContact O-N 3.47Å; L270-I472 HydrophobicContact CB-CB 4.49Å; L270-I472 HydrophobicContact CB-CG1 4.23Å; L270-I472 HydrophobicContact CB-CG2 4.42Å; L270-I472 HydrophobicContact CD1-CB 4.38Å; L270-I472 HydrophobicContact CD1-CG1 4.26Å; L270-I480 HydrophobicContact CD1-CG2 4.02Å; L270-I480 HydrophobicContact CD2-CG2 4.38Å; L270-P482 HydrophobicContact CD1-CB 3.94Å; L270-P482 HydrophobicContact CD1-CG 3.84Å; L270-L485 HydrophobicContact CD1-CD1 4.36Å; L270-L485 HydrophobicContact CD1-CD2 3.87Å; L270-L485 HydrophobicContact CD2-CD2 4.07Å; L270-L485 HydrophobicContact CG-CD2 3.84Å
271	L	95.9	Very high	97.9	Very high	35 Å²	35	32.4 Å²	32.4	18%	0.183	16%	0.163	C	C	.	.	H	α-helix	trans	-98.1	-0.2	-174.5	-54.9	176.1	0	0	0	113.5	I199 A203 G267 I269 D273 L485	I199-L271 HydrophobicContact CD1-CD1 4.19Å; I199-L271 HydrophobicContact CG1-CD1 3.93Å; A203-L271 HydrophobicContact CB-CD1 3.61Å; A203-L271 HydrophobicContact CB-CD2 3.66Å; A203-L271 HydrophobicContact CB-CG 4.22Å; G267-L271 VanDerWaalsContact O-CB 3.32Å; G267-L271 WeakPolarHBondContact O-CB 3.2Å; G267-L271 WeakPolarHBondContact O-CG 3.02Å; G267-L271 PolarHBondContact O-N 3.11Å; I269-L271 PolarHBondContact O-N 3.12Å; L271-D273 HydrophobicContact CB-CB 4.21Å; L271-D273 PolarHBondContact O-N 3.08Å; L271-L485 HydrophobicContact CD2-CD2 4.01Å
272	Q	94.8	Very high	97.9	Very high	144 Å²	144	37 Å²	37	67%	0.673	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	35.2	-170.4	-55	-175.9	15.8	0	0	113	A268 I269 K274	A268-Q272 CarbonylContact O-C 3.59Å; A268-Q272 WeakPolarHBondContact O-CA 3.12Å; A268-Q272 PolarHBondContact O-N 2.97Å; I269-Q272 PolarHBondContact O-N 3.16Å; Q272-K274 PolarHBondContact O-N 3.48Å
273	D	96.1	Very high	97.9	Very high	29 Å²	29	36.8 Å²	36.8	16%	0.155	18%	0.183	C	C	.	.			trans	-89.5	103.8	-172.8	-169.2	-27.3	0	0	0	111.8	R219 A268 L271 K275 L276 M277	R219-D273 IonicContact CZ-OD2 3.25Å; R219-D273 IonicContact NH1-OD2 3.33Å; R219-D273 PolarHBondContact NH1-OD2 3.05Å; R219-D273 IonicContact NH2-OD2 3.41Å; R219-D273 PolarHBondContact NH2-OD2 3.34Å; A268-D273 WeakPolarHBondContact CB-O 3.43Å; A268-D273 PolarHBondContact O-N 3.02Å; L271-D273 HydrophobicContact CB-CB 4.21Å; L271-D273 PolarHBondContact O-N 3.08Å; D273-K275 PolarHBondContact O-N 3.46Å; D273-K275 WeakPolarHBondContact OD1-CA 3.38Å; D273-K275 WeakPolarHBondContact OD1-CB 3.03Å; D273-K275 PolarHBondContact OD1-N 2.6Å; D273-L276 HydrophobicContact CB-CB 4.28Å; D273-L276 HydrophobicContact CB-CD1 4.01Å; D273-L276 HydrophobicContact CB-CG 4.03Å; D273-L276 PolarHBondContact O-N 3.29Å; D273-L276 PolarHBondContact OD1-N 3.37Å; D273-M277 PolarHBondContact O-N 2.64Å
274	K	97.1	Very high	97.9	Very high	137 Å²	137	37.4 Å²	37.4	60%	0.596	19%	0.187	S	C	*	.	H	α-helix	trans	-61.8	-28.9	177.6	-65.2	-178.6	-179.9	-179.5	0	113.4	Q272 A278 F574	Q272-K274 PolarHBondContact O-N 3.48Å; K274-A278 VanDerWaalsContact O-CB 3.31Å; K274-A278 WeakPolarHBondContact O-CB 3.29Å; K274-A278 PolarHBondContact O-N 2.95Å; K274-F574 HydrophobicContact CD-CE2 4.47Å; K274-F574 HydrophobicContact CD-CZ 4.27Å; K274-F574 VanDerWaalsContact CE-CE1 3.45Å; K274-F574 VanDerWaalsContact CE-CZ 3.43Å; K274-F574 HydrophobicContact CG-CD2 4.31Å; K274-F574 HydrophobicContact CG-CE2 3.7Å; K274-F574 HydrophobicContact CG-CZ 3.86Å
275	K	97.8	Very high	97.8	Very high	115 Å²	115	43.2 Å²	43.2	50%	0.5	21%	0.212	S	C	.	.	H	α-helix	trans	-71.3	-44.4	-178.3	-171.9	-177.5	178	-172.4	0	110.3	M223 D273 M277 A278 M279	M223-K275 WeakPolarHBondContact SD-CE 3.11Å; M223-K275 PolarHBondContact SD-NZ 3.05Å; D273-K275 PolarHBondContact O-N 3.46Å; D273-K275 WeakPolarHBondContact OD1-CA 3.38Å; D273-K275 WeakPolarHBondContact OD1-CB 3.03Å; D273-K275 PolarHBondContact OD1-N 2.6Å; K275-M277 VanDerWaalsContact C-N 3.35Å; K275-M277 PolarHBondContact O-N 2.61Å; K275-A278 PolarHBondContact O-N 3.05Å; K275-M279 HydrophobicContact CG-SD 4.27Å; K275-M279 WeakPolarHBondContact O-CG 3.48Å; K275-M279 PolarHBondContact O-N 3.11Å
276	L	98.6	Very high	97.8	Very high	6 Å²	6	43.6 Å²	43.6	3%	0.031	22%	0.215	C	C	.	.	H	α-helix	trans	-61.1	-44	176.1	-65.4	-177.1	0	0	0	111.4	I199 L222 L264 A268 D273 M279 F280	I199-L276 HydrophobicContact CG1-CD1 4.23Å; L222-L276 HydrophobicContact CD1-CD2 3.84Å; L264-L276 HydrophobicContact CD2-CD2 3.98Å; L264-L276 WeakPolarHBondContact O-CB 3.25Å; A268-L276 HydrophobicContact CB-CB 3.82Å; D273-L276 HydrophobicContact CB-CB 4.28Å; D273-L276 HydrophobicContact CB-CD1 4.01Å; D273-L276 HydrophobicContact CB-CG 4.03Å; D273-L276 PolarHBondContact O-N 3.29Å; D273-L276 PolarHBondContact OD1-N 3.37Å; L276-M279 HydrophobicContact CD2-SD 4.12Å; L276-M279 WeakPolarHBondContact O-CB 3.23Å; L276-M279 PolarHBondContact O-N 3.11Å; L276-F280 PolarHBondContact O-N 3.23Å
277	M	98.5	Very high	97.8	Very high	17 Å²	17	43.5 Å²	43.5	8%	0.084	21%	0.214	C	C	.	.	H	α-helix	trans	-63	-44.9	175.7	-174.9	56.8	69.9	0	0	111.9	V265 A268 D273 K275 M279 F280 L281 I326	V265-M277 HydrophobicContact CG1-CE 4.23Å; A268-M277 HydrophobicContact CB-CB 3.82Å; A268-M277 HydrophobicContact CB-CE 4.02Å; D273-M277 PolarHBondContact O-N 2.64Å; K275-M277 VanDerWaalsContact C-N 3.35Å; K275-M277 PolarHBondContact O-N 2.61Å; M277-M279 PolarHBondContact O-N 2.85Å; M277-F280 PolarHBondContact O-N 3.38Å; M277-F280 HydrophobicContact SD-CD1 4.32Å; M277-L281 HydrophobicContact CG-CD1 4.12Å; M277-L281 HydrophobicContact CG-CG 4.35Å; M277-L281 WeakPolarHBondContact O-CG 3.19Å; M277-L281 PolarHBondContact O-N 2.84Å; M277-L281 HydrophobicContact SD-CG 4.27Å; M277-I326 HydrophobicContact CE-CG2 4.34Å; M277-I326 HydrophobicContact SD-CG2 4.33Å
278	A	98.6	Very high	97.7	Very high	54 Å²	54	49.1 Å²	49.1	45%	0.446	24%	0.236	S	C	.	.	H	α-helix	trans	-60.2	-37.3	176.6	0	0	0	0	0	112	K274 K275 L281 E282	K274-A278 VanDerWaalsContact O-CB 3.31Å; K274-A278 WeakPolarHBondContact O-CB 3.29Å; K274-A278 PolarHBondContact O-N 2.95Å; K275-A278 PolarHBondContact O-N 3.05Å; A278-L281 PolarHBondContact O-N 3.39Å; A278-E282 PolarHBondContact O-N 3.07Å
279	M	98.6	Very high	97.6	Very high	4 Å²	4	54 Å²	54	2%	0.02	26%	0.261	C	S	.	.	H	α-helix	trans	-61.7	-50.4	174.3	-68.3	161	70.9	0	0	111.3	M223 W226 L264 K275 L276 M277 L281 E282 Y283	M223-M279 HydrophobicContact SD-CE 4.32Å; M223-M279 HydrophobicContact SD-SD 4.31Å; W226-M279 HydrophobicContact CB-CE 3.48Å; W226-M279 VanDerWaalsContact CB-CE 3.48Å; W226-M279 HydrophobicContact CD2-CB 4.25Å; W226-M279 HydrophobicContact CD2-CE 3.89Å; W226-M279 HydrophobicContact CD2-CG 3.71Å; W226-M279 HydrophobicContact CD2-SD 4.5Å; W226-M279 HydrophobicContact CE3-CB 3.62Å; W226-M279 HydrophobicContact CE3-CE 3.99Å; W226-M279 HydrophobicContact CE3-CG 3.62Å; W226-M279 HydrophobicContact CG-CE 3.72Å; W226-M279 HydrophobicContact CG-CG 4.38Å; W226-M279 VanDerWaalsContact CH2-CA 3.44Å; W226-M279 HydrophobicContact CH2-CB 3.92Å; W226-M279 HydrophobicContact CH2-CG 3.89Å; W226-M279 HydrophobicContact CZ2-CG 3.99Å; W226-M279 HydrophobicContact CZ3-CB 3.44Å; W226-M279 VanDerWaalsContact CZ3-CB 3.44Å; W226-M279 HydrophobicContact CZ3-CG 3.72Å; W226-M279 VanDerWaalsContact CZ3-O 3.22Å; W226-M279 WeakPolarHBondContact CZ3-O 3.45Å; L264-M279 HydrophobicContact CD1-CB 4.33Å; L264-M279 HydrophobicContact CD2-CB 4.29Å; L264-M279 HydrophobicContact CD2-CE 3.95Å; L264-M279 HydrophobicContact CD2-SD 4.42Å; K275-M279 HydrophobicContact CG-SD 4.27Å; K275-M279 WeakPolarHBondContact O-CG 3.48Å; K275-M279 PolarHBondContact O-N 3.11Å; L276-M279 HydrophobicContact CD2-SD 4.12Å; L276-M279 WeakPolarHBondContact O-CB 3.23Å; L276-M279 PolarHBondContact O-N 3.11Å; M277-M279 PolarHBondContact O-N 2.85Å; M279-L281 PolarHBondContact O-N 2.91Å; M279-E282 PolarHBondContact O-N 3.27Å; M279-Y283 WeakPolarHBondContact O-CD2 3.48Å; M279-Y283 PolarHBondContact O-N 2.97Å; M279-Y283 VanDerWaalsContact O-N 3.13Å
280	F	98.7	Very high	97.7	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.1	-43.6	177.5	173.6	-97.8	0	0	0	112.7	F261 L264 V265 L276 M277 E282 Y283 N284 W319 L322 I326	F261-F280 HydrophobicContact CB-CD2 4.29Å; F261-F280 HydrophobicContact CB-CE2 4.22Å; L264-F280 HydrophobicContact CB-CB 3.83Å; L264-F280 HydrophobicContact CD1-CB 4.35Å; V265-F280 HydrophobicContact CG2-CB 4.08Å; V265-F280 HydrophobicContact CG2-CD1 3.46Å; V265-F280 VanDerWaalsContact CG2-CD1 3.46Å; V265-F280 HydrophobicContact CG2-CD2 3.44Å; V265-F280 VanDerWaalsContact CG2-CD2 3.44Å; V265-F280 HydrophobicContact CG2-CE1 3.66Å; V265-F280 HydrophobicContact CG2-CE2 3.62Å; V265-F280 HydrophobicContact CG2-CG 3.34Å; V265-F280 HydrophobicContact CG2-CZ 3.73Å; L276-F280 PolarHBondContact O-N 3.23Å; M277-F280 PolarHBondContact O-N 3.38Å; M277-F280 HydrophobicContact SD-CD1 4.32Å; F280-E282 VanDerWaalsContact C-N 3.3Å; F280-E282 PolarHBondContact O-N 2.81Å; F280-Y283 CarbonylContact O-C 3.56Å; F280-Y283 WeakPolarHBondContact O-CA 3.16Å; F280-Y283 WeakPolarHBondContact O-CB 3.41Å; F280-Y283 PolarHBondContact O-N 3.49Å; F280-Y283 VanDerWaalsContact O-N 3.09Å; F280-N284 HydrophobicContact CE1-CB 4.09Å; F280-N284 HydrophobicContact CZ-CB 4.19Å; F280-N284 WeakPolarHBondContact O-CB 3.32Å; F280-N284 PolarHBondContact O-N 3Å; F280-W319 AromaticContact CE2-CH2 3.8Å; F280-W319 HydrophobicContact CE2-CH2 3.8Å; F280-W319 HydrophobicContact CE2-CZ3 4.14Å; F280-W319 HydrophobicContact CZ-CH2 4.1Å; F280-L322 HydrophobicContact CE2-CD2 3.69Å; F280-L322 HydrophobicContact CE2-CG 4.45Å; F280-L322 HydrophobicContact CZ-CD2 4.08Å; F280-L322 HydrophobicContact CZ-CG 4.42Å; F280-I326 HydrophobicContact CD1-CG2 4.49Å; F280-I326 HydrophobicContact CE1-CD1 3.64Å; F280-I326 HydrophobicContact CE1-CG2 4.03Å; F280-I326 HydrophobicContact CZ-CD1 4.2Å
281	L	98.5	Very high	97.7	Very high	86 Å²	86	56 Å²	56	45%	0.45	27%	0.267	S	S	.	.	H	α-helix	trans	-62.7	-36.3	-178.4	-69.6	175	0	0	0	112.7	M277 A278 M279 N284 K285	M277-L281 HydrophobicContact CG-CD1 4.12Å; M277-L281 HydrophobicContact CG-CG 4.35Å; M277-L281 WeakPolarHBondContact O-CG 3.19Å; M277-L281 PolarHBondContact O-N 2.84Å; M277-L281 HydrophobicContact SD-CG 4.27Å; A278-L281 PolarHBondContact O-N 3.39Å; M279-L281 PolarHBondContact O-N 2.91Å; L281-N284 PolarHBondContact O-N 3.13Å; L281-K285 PolarHBondContact O-N 3.27Å
282	E	98.6	Very high	97.7	Very high	100 Å²	100	56.6 Å²	56.6	47%	0.467	27%	0.267	S	S	.	.	H	α-helix	trans	-67.8	-40.1	172.5	-71.3	-61.5	145.9	0	0	112	W226 A278 M279 F280 K285 A286	W226-E282 HydrophobicContact CH2-CB 3.75Å; W226-E282 HydrophobicContact CH2-CG 4.05Å; W226-E282 HydrophobicContact CZ3-CB 4.23Å; A278-E282 PolarHBondContact O-N 3.07Å; M279-E282 PolarHBondContact O-N 3.27Å; F280-E282 VanDerWaalsContact C-N 3.3Å; F280-E282 PolarHBondContact O-N 2.81Å; E282-K285 WeakPolarHBondContact O-CB 3.5Å; E282-K285 PolarHBondContact O-N 2.8Å; E282-A286 PolarHBondContact O-N 3.11Å; E282-A286 VanDerWaalsContact O-N 3.13Å
283	Y	98.4	Very high	97.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.7	-47.7	171.9	-77.1	-60.1	0	0	0	111.9	W226 R229 G233 V235 Y260 F261 L264 M279 F280 K285 A286 I287	W226-Y283 HydrophobicContact CE3-CD2 4.26Å; W226-Y283 AromaticContact CE3-CE2 3.52Å; W226-Y283 HydrophobicContact CE3-CE2 3.52Å; W226-Y283 AromaticContact CE3-CZ 3.8Å; W226-Y283 HydrophobicContact CZ3-CD2 4.03Å; W226-Y283 AromaticContact CZ3-CE2 3.76Å; W226-Y283 HydrophobicContact CZ3-CE2 3.76Å; R229-Y283 VanDerWaalsContact CD-CZ 3.43Å; R229-Y283 VanDerWaalsContact CD-OH 3.24Å; R229-Y283 WeakPolarHBondContact CD-OH 3.26Å; R229-Y283 HydrophobicContact CG-CE1 3.64Å; R229-Y283 VanDerWaalsContact CG-OH 3.31Å; R229-Y283 WeakPolarHBondContact CG-OH 3.41Å; G233-Y283 WeakPolarHBondContact O-CD1 3.46Å; V235-Y283 HydrophobicContact CG1-CE1 3.92Å; Y260-Y283 AromaticContact CE1-CE2 3.83Å; Y260-Y283 HydrophobicContact CE1-CE2 3.83Å; Y260-Y283 AromaticContact CE1-CZ 3.74Å; Y260-Y283 AromaticContact CZ-CE2 3.85Å; Y260-Y283 AromaticContact CZ-CZ 3.98Å; Y260-Y283 WeakPolarHBondContact OH-CE2 3.38Å; Y260-Y283 PolarHBondContact OH-OH 3.31Å; F261-Y283 HydrophobicContact CD1-CD2 4.09Å; F261-Y283 HydrophobicContact CD1-CG 4.07Å; F261-Y283 AromaticContact CE1-CD1 3.68Å; F261-Y283 HydrophobicContact CE1-CD1 3.68Å; F261-Y283 AromaticContact CE1-CD2 3.86Å; F261-Y283 HydrophobicContact CE1-CD2 3.86Å; F261-Y283 HydrophobicContact CE1-CE1 4.14Å; F261-Y283 HydrophobicContact CE1-CE2 4.31Å; F261-Y283 AromaticContact CE1-CG 3.52Å; F261-Y283 HydrophobicContact CE1-CG 3.52Å; F261-Y283 HydrophobicContact CZ-CD1 4.39Å; L264-Y283 HydrophobicContact CD1-CD2 3.58Å; L264-Y283 HydrophobicContact CD1-CE2 3.63Å; M279-Y283 WeakPolarHBondContact O-CD2 3.48Å; M279-Y283 PolarHBondContact O-N 2.97Å; M279-Y283 VanDerWaalsContact O-N 3.13Å; F280-Y283 CarbonylContact O-C 3.56Å; F280-Y283 WeakPolarHBondContact O-CA 3.16Å; F280-Y283 WeakPolarHBondContact O-CB 3.41Å; F280-Y283 PolarHBondContact O-N 3.49Å; F280-Y283 VanDerWaalsContact O-N 3.09Å; Y283-K285 PolarHBondContact O-N 3.43Å; Y283-A286 CarbonylContact O-C 3.6Å; Y283-A286 WeakPolarHBondContact O-CA 3.43Å; Y283-A286 PolarHBondContact O-N 3.34Å; Y283-I287 WeakPolarHBondContact O-CB 3.31Å; Y283-I287 VanDerWaalsContact O-CG1 3.23Å; Y283-I287 WeakPolarHBondContact O-CG1 3.3Å; Y283-I287 PolarHBondContact O-N 3.04Å
284	N	98.1	Very high	97.6	Very high	13 Å²	13	59.6 Å²	59.6	7%	0.07	28%	0.283	C	S	.	.	H	α-helix	trans	-57.4	-39.3	179.6	-173.8	24.1	0	0	0	111	F280 L281 R288	F280-N284 HydrophobicContact CE1-CB 4.09Å; F280-N284 HydrophobicContact CZ-CB 4.19Å; F280-N284 WeakPolarHBondContact O-CB 3.32Å; F280-N284 PolarHBondContact O-N 3Å; L281-N284 PolarHBondContact O-N 3.13Å; N284-R288 VanDerWaalsContact O-CB 3.3Å; N284-R288 WeakPolarHBondContact O-CB 3.48Å; N284-R288 WeakPolarHBondContact O-CG 3.26Å; N284-R288 PolarHBondContact O-N 3.33Å
285	K	98	Very high	97.5	Very high	121 Å²	121	54.9 Å²	54.9	53%	0.526	27%	0.265	S	S	.	.	H	α-helix	trans	-61.2	-47.6	172.8	-177.4	-176.7	175.2	-172.4	0	112	L281 E282 Y283 N289	L281-K285 PolarHBondContact O-N 3.27Å; E282-K285 WeakPolarHBondContact O-CB 3.5Å; E282-K285 PolarHBondContact O-N 2.8Å; Y283-K285 PolarHBondContact O-N 3.43Å; K285-N289 WeakPolarHBondContact O-CB 3.27Å; K285-N289 PolarHBondContact O-N 3.05Å; K285-N289 VanDerWaalsContact O-N 3.13Å; K285-N289 PolarHBondContact O-ND2 3.01Å
286	A	98.3	Very high	97.5	Very high	8 Å²	8	50.7 Å²	50.7	7%	0.066	25%	0.246	C	C	.	.	H	α-helix	trans	-64.1	-46.6	177.6	0	0	0	0	0	112	I232 L234 E282 Y283 R288 N289 Y290	I232-A286 WeakPolarHBondContact O-CB 3.27Å; L234-A286 HydrophobicContact CD2-CB 3.85Å; L234-A286 HydrophobicContact CG-CB 4.48Å; E282-A286 PolarHBondContact O-N 3.11Å; E282-A286 VanDerWaalsContact O-N 3.13Å; Y283-A286 CarbonylContact O-C 3.6Å; Y283-A286 WeakPolarHBondContact O-CA 3.43Å; Y283-A286 PolarHBondContact O-N 3.34Å; A286-R288 PolarHBondContact O-N 2.54Å; A286-N289 PolarHBondContact O-N 2.65Å; A286-N289 VanDerWaalsContact O-N 3.1Å; A286-Y290 VanDerWaalsContact O-CD2 3.23Å; A286-Y290 WeakPolarHBondContact O-CD2 3.17Å; A286-Y290 PolarHBondContact O-N 2.84Å
287	I	98.1	Very high	97.4	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-56.5	-49.4	177.2	-69.7	165.4	0	0	0	110.1	L234 I253 F261 Y283 N289 Y290 T291 R292 Y297 W319	L234-I287 HydrophobicContact CD2-CG1 4.33Å; I253-I287 HydrophobicContact CG2-CD1 3.98Å; I253-I287 HydrophobicContact CG2-CG1 4.32Å; I253-I287 HydrophobicContact CG2-CG2 3.65Å; F261-I287 HydrophobicContact CD1-CD1 4.43Å; F261-I287 HydrophobicContact CD2-CD1 4.18Å; F261-I287 HydrophobicContact CE1-CD1 4.09Å; F261-I287 HydrophobicContact CE2-CD1 3.78Å; F261-I287 HydrophobicContact CG-CD1 4.49Å; F261-I287 HydrophobicContact CZ-CD1 3.75Å; Y283-I287 WeakPolarHBondContact O-CB 3.31Å; Y283-I287 VanDerWaalsContact O-CG1 3.23Å; Y283-I287 WeakPolarHBondContact O-CG1 3.3Å; Y283-I287 PolarHBondContact O-N 3.04Å; I287-N289 VanDerWaalsContact C-N 3.27Å; I287-N289 PolarHBondContact O-N 2.82Å; I287-Y290 PolarHBondContact O-N 2.95Å; I287-T291 WeakPolarHBondContact CG2-OG1 3.42Å; I287-T291 WeakPolarHBondContact O-CA 3.31Å; I287-T291 WeakPolarHBondContact O-CB 3.41Å; I287-T291 PolarHBondContact O-N 2.89Å; I287-T291 PolarHBondContact O-OG1 3.28Å; I287-R292 PolarHBondContact O-N 3.26Å; I287-Y297 HydrophobicContact CG2-CD1 3.67Å; I287-Y297 HydrophobicContact CG2-CE1 3.64Å; I287-W319 HydrophobicContact CD1-CH2 3.65Å; I287-W319 HydrophobicContact CD1-CZ2 4.27Å; I287-W319 HydrophobicContact CD1-CZ3 4.38Å; I287-W319 HydrophobicContact CG2-CH2 4.47Å; I287-W319 HydrophobicContact CG2-CZ2 4.09Å
288	R	96.4	Very high	97.3	Very high	119 Å²	119	50.3 Å²	50.3	45%	0.449	24%	0.244	S	C	.	.	H	α-helix	trans	-61.3	-33.9	177.2	-75.4	176.3	62.4	177	1.2	113.5	N284 A286	N284-R288 VanDerWaalsContact O-CB 3.3Å; N284-R288 WeakPolarHBondContact O-CB 3.48Å; N284-R288 WeakPolarHBondContact O-CG 3.26Å; N284-R288 PolarHBondContact O-N 3.33Å; A286-R288 PolarHBondContact O-N 2.54Å
289	N	97.1	Very high	97.2	Very high	105 Å²	105	49.2 Å²	49.2	56%	0.561	23%	0.228	S	C	*	.	H	α-helix	trans	-79.6	-34.1	-177.8	-72.2	-12.7	0	0	0	113.2	K285 A286 I287	K285-N289 WeakPolarHBondContact O-CB 3.27Å; K285-N289 PolarHBondContact O-N 3.05Å; K285-N289 VanDerWaalsContact O-N 3.13Å; K285-N289 PolarHBondContact O-ND2 3.01Å; A286-N289 PolarHBondContact O-N 2.65Å; A286-N289 VanDerWaalsContact O-N 3.1Å; I287-N289 VanDerWaalsContact C-N 3.27Å; I287-N289 PolarHBondContact O-N 2.82Å
290	Y	97.9	Very high	97.1	Very high	80 Å²	80	49 Å²	49	31%	0.314	23%	0.227	S	C	.	.	H	α-helix	trans	-116.5	-28.3	-168.1	-63.5	-67.8	0	0	0	114.3	I232 A286 I287 F293 V300	I232-Y290 HydrophobicContact CB-CD2 4.33Å; I232-Y290 HydrophobicContact CB-CE2 3.74Å; I232-Y290 HydrophobicContact CD1-CD1 4.26Å; I232-Y290 HydrophobicContact CD1-CD2 4.17Å; I232-Y290 HydrophobicContact CD1-CE1 4.36Å; I232-Y290 HydrophobicContact CD1-CE2 4.3Å; I232-Y290 HydrophobicContact CD1-CG 4.17Å; I232-Y290 HydrophobicContact CG1-CE2 4.42Å; I232-Y290 HydrophobicContact CG2-CE2 4.46Å; A286-Y290 VanDerWaalsContact O-CD2 3.23Å; A286-Y290 WeakPolarHBondContact O-CD2 3.17Å; A286-Y290 PolarHBondContact O-N 2.84Å; I287-Y290 PolarHBondContact O-N 2.95Å; Y290-F293 WeakPolarHBondContact O-CE2 3.3Å; Y290-V300 VanDerWaalsContact O-CG1 3.29Å; Y290-V300 WeakPolarHBondContact O-CG1 3.21Å
291	T	96.9	Very high	97.1	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-22	-174.7	71.3	0	0	0	0	113.1	L234 I287 F293 Y297 L298 V300	L234-T291 HydrophobicContact CD2-CG2 4.43Å; I287-T291 WeakPolarHBondContact CG2-OG1 3.42Å; I287-T291 WeakPolarHBondContact O-CA 3.31Å; I287-T291 WeakPolarHBondContact O-CB 3.41Å; I287-T291 PolarHBondContact O-N 2.89Å; I287-T291 PolarHBondContact O-OG1 3.28Å; T291-F293 VanDerWaalsContact O-CD2 3.26Å; T291-F293 WeakPolarHBondContact O-CD2 3.39Å; T291-Y297 CarbonylContact O-C 3.44Å; T291-Y297 WeakPolarHBondContact O-CA 3.44Å; T291-L298 PolarHBondContact O-N 2.98Å; T291-V300 HydrophobicContact CG2-CG2 3.87Å
292	R	96.6	Very high	97	Very high	49 Å²	49	46.8 Å²	46.8	19%	0.185	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	121.2	-173.7	-174.2	176.8	168.5	-172	-4.7	112.6	I287 D295 W296 Y297 N331	I287-R292 PolarHBondContact O-N 3.26Å; R292-D295 IonicContact CZ-OD1 3.77Å; R292-D295 IonicContact NE-OD1 3.83Å; R292-D295 PolarHBondContact NE-OD1 3.04Å; R292-D295 IonicContact NH2-OD1 2.94Å; R292-D295 PolarHBondContact NH2-OD1 3.14Å; R292-W296 CarbonylContact C-O 3.51Å; R292-W296 VanDerWaalsContact CA-O 3.24Å; R292-W296 WeakPolarHBondContact CA-O 3.3Å; R292-Y297 HydrophobicContact CB-CD1 4.21Å; R292-Y297 HydrophobicContact CB-CE1 4Å; R292-Y297 HydrophobicContact CG-CE1 4.25Å; R292-N331 VanDerWaalsContact CZ-OD1 3.27Å; R292-N331 PolarHBondContact NH1-OD1 3.48Å; R292-N331 PolarHBondContact NH2-OD1 3.18Å
293	F	95.5	Very high	97	Very high	87 Å²	87	46.8 Å²	46.8	38%	0.382	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	119.6	176.8	-61.7	-92.7	0	0	0	109.7	Y290 T291 D295 W296 L298 V300 V307	Y290-F293 WeakPolarHBondContact O-CE2 3.3Å; T291-F293 VanDerWaalsContact O-CD2 3.26Å; T291-F293 WeakPolarHBondContact O-CD2 3.39Å; F293-D295 PolarHBondContact O-N 3.09Å; F293-W296 PolarHBondContact N-O 3.48Å; F293-W296 WeakPolarHBondContact O-CA 3.41Å; F293-W296 WeakPolarHBondContact O-CB 3.5Å; F293-W296 PolarHBondContact O-N 3.45Å; F293-L298 HydrophobicContact CB-CD1 4Å; F293-L298 HydrophobicContact CB-CG 4.35Å; F293-L298 HydrophobicContact CD2-CB 4.16Å; F293-L298 HydrophobicContact CD2-CD1 3.59Å; F293-L298 HydrophobicContact CD2-CG 3.78Å; F293-L298 HydrophobicContact CE2-CD1 4.32Å; F293-L298 HydrophobicContact CG-CD1 3.93Å; F293-L298 HydrophobicContact CG-CG 4.42Å; F293-V300 HydrophobicContact CE2-CG1 4.46Å; F293-V307 HydrophobicContact CD2-CG2 4.45Å; F293-V307 HydrophobicContact CE1-CG2 4.43Å; F293-V307 HydrophobicContact CE2-CG2 3.75Å; F293-V307 HydrophobicContact CZ-CG2 3.74Å
294	D	94	Very high	96.9	Very high	148 Å²	148	54.3 Å²	54.3	79%	0.791	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.4	45.1	-179.8	-60.9	-32.8	0	0	0	113.9	W296 N338	D294-W296 VanDerWaalsContact O-CD1 3.24Å; D294-W296 PolarHBondContact O-N 2.87Å; D294-N338 PolarHBondContact O-ND2 3.22Å
295	D	95.3	Very high	96.9	Very high	38 Å²	38	54.3 Å²	54.3	20%	0.203	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	10.9	-177.6	-56.5	-47.1	0	0	0	115.7	R292 F293 R334 T335	R292-D295 IonicContact CZ-OD1 3.77Å; R292-D295 IonicContact NE-OD1 3.83Å; R292-D295 PolarHBondContact NE-OD1 3.04Å; R292-D295 IonicContact NH2-OD1 2.94Å; R292-D295 PolarHBondContact NH2-OD1 3.14Å; F293-D295 PolarHBondContact O-N 3.09Å; D295-R334 HydrophobicContact CB-CB 4.2Å; D295-R334 IonicContact OD1-NE 2.72Å; D295-R334 WeakPolarHBondContact OD2-CD 3.42Å; D295-R334 IonicContact OD2-NE 2.69Å; D295-T335 PolarHBondContact O-OG1 3.21Å
296	W	97	Very high	96.8	Very high	27 Å²	27	52.2 Å²	52.2	10%	0.102	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	156.2	163.9	-61.1	90.9	0	0	0	111.4	R292 F293 D294 L298 F312 N338 Y339 V342 Y353 I355	R292-W296 CarbonylContact C-O 3.51Å; R292-W296 VanDerWaalsContact CA-O 3.24Å; R292-W296 WeakPolarHBondContact CA-O 3.3Å; F293-W296 PolarHBondContact N-O 3.48Å; F293-W296 WeakPolarHBondContact O-CA 3.41Å; F293-W296 WeakPolarHBondContact O-CB 3.5Å; F293-W296 PolarHBondContact O-N 3.45Å; D294-W296 VanDerWaalsContact O-CD1 3.24Å; D294-W296 PolarHBondContact O-N 2.87Å; W296-L298 HydrophobicContact CB-CD2 4.03Å; W296-F312 HydrophobicContact CE3-CB 3.68Å; W296-F312 HydrophobicContact CE3-CD2 4.33Å; W296-F312 HydrophobicContact CE3-CG 4.07Å; W296-F312 HydrophobicContact CZ3-CB 3.49Å; W296-F312 VanDerWaalsContact CZ3-CB 3.49Å; W296-F312 AromaticContact CZ3-CD1 3.93Å; W296-F312 HydrophobicContact CZ3-CD1 3.93Å; W296-F312 HydrophobicContact CZ3-CD2 4.06Å; W296-F312 AromaticContact CZ3-CG 3.56Å; W296-F312 HydrophobicContact CZ3-CG 3.56Å; W296-N338 HydrophobicContact CD2-CB 4.46Å; W296-N338 HydrophobicContact CH2-CB 4Å; W296-N338 HydrophobicContact CZ2-CB 3.67Å; W296-N338 PolarHBondContact NE1-ND2 3.02Å; W296-Y339 HydrophobicContact CE3-CD1 4.12Å; W296-Y339 AromaticContact CE3-CE1 3.7Å; W296-Y339 HydrophobicContact CE3-CE1 3.7Å; W296-Y339 HydrophobicContact CH2-CD1 4.25Å; W296-Y339 AromaticContact CZ3-CD1 3.61Å; W296-Y339 HydrophobicContact CZ3-CD1 3.61Å; W296-Y339 AromaticContact CZ3-CE1 3.65Å; W296-Y339 HydrophobicContact CZ3-CE1 3.65Å; W296-V342 HydrophobicContact CH2-CG2 3.85Å; W296-Y353 HydrophobicContact CH2-CD1 4.3Å; W296-Y353 HydrophobicContact CH2-CE1 4.22Å; W296-I355 HydrophobicContact CB-CD1 3.84Å; W296-I355 HydrophobicContact CD2-CD1 3.62Å; W296-I355 HydrophobicContact CD2-CG1 3.9Å; W296-I355 HydrophobicContact CD2-CG2 4.27Å; W296-I355 HydrophobicContact CE3-CD1 3.58Å; W296-I355 HydrophobicContact CE3-CG1 3.86Å; W296-I355 HydrophobicContact CG-CD1 3.75Å; W296-I355 HydrophobicContact CG-CG1 4.38Å; W296-I355 HydrophobicContact CG-CG2 4.28Å; W296-I355 HydrophobicContact CZ3-CD1 4.36Å; W296-I355 HydrophobicContact CZ3-CG1 4.21Å
297	Y	97.1	Very high	96.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	101.8	176.5	-69	-95.6	0	0	0	109.1	I253 I287 T291 R292 W319 Q323 T335	I253-Y297 VanDerWaalsContact CD1-CB 3.42Å; I253-Y297 HydrophobicContact CD1-CD1 3.86Å; I253-Y297 HydrophobicContact CD1-CD2 3.74Å; I253-Y297 HydrophobicContact CD1-CE2 4.47Å; I253-Y297 HydrophobicContact CD1-CG 3.39Å; I253-Y297 HydrophobicContact CG1-CG 4.16Å; I253-Y297 HydrophobicContact CG2-CD1 4.35Å; I287-Y297 HydrophobicContact CG2-CD1 3.67Å; I287-Y297 HydrophobicContact CG2-CE1 3.64Å; T291-Y297 CarbonylContact O-C 3.44Å; T291-Y297 WeakPolarHBondContact O-CA 3.44Å; R292-Y297 HydrophobicContact CB-CD1 4.21Å; R292-Y297 HydrophobicContact CB-CE1 4Å; R292-Y297 HydrophobicContact CG-CE1 4.25Å; Y297-W319 AromaticContact CE1-NE1 3.67Å; Y297-W319 AromaticContact CE2-CD1 3.67Å; Y297-W319 AromaticContact CE2-NE1 3.81Å; Y297-W319 AromaticContact CZ-CD1 3.67Å; Y297-W319 AromaticContact CZ-NE1 3.29Å; Y297-W319 VanDerWaalsContact CZ-NE1 3.29Å; Y297-W319 PolarHBondContact OH-NE1 3.5Å; Y297-Q323 PolarHBondContact OH-NE2 2.64Å; Y297-T335 HydrophobicContact CD2-CG2 4.13Å; Y297-T335 HydrophobicContact CE2-CG2 3.88Å
298	L	96.1	Very high	96.6	Very high	16 Å²	16	57.2 Å²	57.2	8%	0.084	28%	0.276	C	S	.	.			trans	-91	156	-173.1	-51	-174.6	0	0	0	111.4	T291 F293 W296 V307 P310 I355	T291-L298 PolarHBondContact O-N 2.98Å; F293-L298 HydrophobicContact CB-CD1 4Å; F293-L298 HydrophobicContact CB-CG 4.35Å; F293-L298 HydrophobicContact CD2-CB 4.16Å; F293-L298 HydrophobicContact CD2-CD1 3.59Å; F293-L298 HydrophobicContact CD2-CG 3.78Å; F293-L298 HydrophobicContact CE2-CD1 4.32Å; F293-L298 HydrophobicContact CG-CD1 3.93Å; F293-L298 HydrophobicContact CG-CG 4.42Å; W296-L298 HydrophobicContact CB-CD2 4.03Å; L298-V307 HydrophobicContact CB-CG1 4.45Å; L298-V307 HydrophobicContact CD1-CG1 4.18Å; L298-V307 HydrophobicContact CD1-CG2 4.24Å; L298-P310 HydrophobicContact CD1-CB 4.25Å; L298-I355 HydrophobicContact CD2-CD1 3.26Å
299	W	95.9	Very high	96.4	Very high	30 Å²	30	54.7 Å²	54.7	11%	0.114	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	132.1	169.4	-78.1	30.3	0	0	0	110.8	D250 A251 V307 S308 M309 Q313	D250-W299 HydrophobicContact CB-CE3 3.7Å; D250-W299 HydrophobicContact CB-CZ3 4.04Å; A251-W299 WeakPolarHBondContact O-CA 3.13Å; W299-V307 WeakPolarHBondContact O-CA 3.41Å; W299-S308 PolarHBondContact O-N 3.21Å; W299-S308 PolarHBondContact O-OG 3.13Å; W299-M309 HydrophobicContact CB-CB 4.23Å; W299-M309 HydrophobicContact CD2-CE 3.9Å; W299-M309 HydrophobicContact CE3-CE 3.11Å; W299-M309 HydrophobicContact CH2-CE 4.24Å; W299-M309 HydrophobicContact CZ3-CE 3.31Å; W299-M309 PolarHBondContact N-O 3.18Å; W299-M309 PolarHBondContact O-N 3.17Å; W299-Q313 VanDerWaalsContact CE2-OE1 3.29Å; W299-Q313 VanDerWaalsContact CZ2-CD 3.47Å
300	V	97.5	Very high	96.3	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	158.3	179.3	-53.2	0	0	0	0	111.3	L234 A251 Y290 T291 F293 M302 T306 V307	L234-V300 HydrophobicContact CD1-CG2 3.71Å; A251-V300 HydrophobicContact CB-CG2 4.23Å; A251-V300 PolarHBondContact N-O 3.48Å; A251-V300 PolarHBondContact O-N 3.04Å; Y290-V300 VanDerWaalsContact O-CG1 3.29Å; Y290-V300 WeakPolarHBondContact O-CG1 3.21Å; T291-V300 HydrophobicContact CG2-CG2 3.87Å; F293-V300 HydrophobicContact CE2-CG1 4.46Å; V300-M302 PolarHBondContact O-N 3.24Å; V300-T306 CarbonylContact C-O 3.53Å; V300-T306 VanDerWaalsContact CA-O 3.28Å; V300-T306 WeakPolarHBondContact CA-O 3.33Å; V300-V307 HydrophobicContact CG1-CG2 4.32Å
301	Q	97.7	Very high	96.2	Very high	39 Å²	39	48.6 Å²	48.6	18%	0.182	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	126	172.4	-161.5	-81.9	-8	0	0	110.3	Q249 Y303 K304 G305 T306	Q249-Q301 VanDerWaalsContact OE1-NE2 3.15Å; Q301-Y303 VanDerWaalsContact C-N 3.28Å; Q301-Y303 PolarHBondContact O-N 3.44Å; Q301-Y303 VanDerWaalsContact O-N 3.09Å; Q301-K304 PolarHBondContact O-N 3.36Å; Q301-G305 WeakPolarHBondContact O-CA 3.43Å; Q301-G305 PolarHBondContact O-N 3.01Å; Q301-T306 PolarHBondContact N-O 3.09Å
302	M	97.6	Very high	96.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.6	-166.9	74.3	179.4	-71.7	0	0	116.1	S230 I232 L234 W246 Q249 A251 V300	S230-M302 WeakPolarHBondContact CB-O 3.49Å; S230-M302 PolarHBondContact OG-O 2.57Å; I232-M302 VanDerWaalsContact CD1-O 3.25Å; I232-M302 WeakPolarHBondContact CD1-O 3.46Å; I232-M302 WeakPolarHBondContact CG1-O 3.25Å; L234-M302 HydrophobicContact CB-CB 4.17Å; L234-M302 WeakPolarHBondContact O-CE 3.37Å; W246-M302 HydrophobicContact CB-SD 4.17Å; W246-M302 HydrophobicContact CD2-CE 4.12Å; W246-M302 HydrophobicContact CD2-SD 4.05Å; W246-M302 HydrophobicContact CG-CE 4.05Å; W246-M302 HydrophobicContact CG-SD 3.73Å; W246-M302 HydrophobicContact CZ2-CE 4.38Å; Q249-M302 HydrophobicContact CB-CG 4.08Å; Q249-M302 HydrophobicContact CB-SD 4.08Å; Q249-M302 HydrophobicContact CG-SD 4.17Å; Q249-M302 WeakPolarHBondContact O-CB 3.17Å; Q249-M302 WeakPolarHBondContact O-CG 3.41Å; Q249-M302 PolarHBondContact O-N 3.17Å; A251-M302 HydrophobicContact CB-CB 3.9Å; V300-M302 PolarHBondContact O-N 3.24Å
303	Y	97.9	Very high	96.1	Very high	100 Å²	100	46.3 Å²	46.3	39%	0.392	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-23.1	-178.3	-67.8	-79.2	0	0	0	113.2	Q249 Q301	Q249-Y303 HydrophobicContact CG-CE2 4.4Å; Q301-Y303 VanDerWaalsContact C-N 3.28Å; Q301-Y303 PolarHBondContact O-N 3.44Å; Q301-Y303 VanDerWaalsContact O-N 3.09Å
304	K	96.8	Very high	96.2	Very high	159 Å²	159	42.1 Å²	42.1	69%	0.691	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.1	-20.9	-174	-67	179.8	-179.5	176.5	0	113.7	Q301 T306	Q301-K304 PolarHBondContact O-N 3.36Å; K304-T306 HydrophobicContact CB-CG2 4.01Å; K304-T306 PolarHBondContact O-N 2.66Å
305	G	96.4	Very high	96.3	Very high	12 Å²	12	36.5 Å²	36.5	12%	0.124	19%	0.189	C	C	.	.			trans	66.5	15.3	-172.9	0	0	0	0	0	113.5	Q301	Q301-G305 WeakPolarHBondContact O-CA 3.43Å; Q301-G305 PolarHBondContact O-N 3.01Å
306	T	96.8	Very high	96.4	Very high	77 Å²	77	34.7 Å²	34.7	47%	0.472	18%	0.179	S	C	.	.			trans	-78.9	129	176.6	51.3	0	0	0	0	109.6	V300 Q301 K304 S308	V300-T306 CarbonylContact C-O 3.53Å; V300-T306 VanDerWaalsContact CA-O 3.28Å; V300-T306 WeakPolarHBondContact CA-O 3.33Å; Q301-T306 PolarHBondContact N-O 3.09Å; K304-T306 HydrophobicContact CB-CG2 4.01Å; K304-T306 PolarHBondContact O-N 2.66Å; T306-S308 PolarHBondContact O-N 3.5Å
307	V	96.9	Very high	96.5	Very high	64 Å²	64	33.4 Å²	33.4	39%	0.388	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53	121.2	176	-179.9	0	0	0	0	110.2	F293 L298 W299 V300 P310	F293-V307 HydrophobicContact CD2-CG2 4.45Å; F293-V307 HydrophobicContact CE1-CG2 4.43Å; F293-V307 HydrophobicContact CE2-CG2 3.75Å; F293-V307 HydrophobicContact CZ-CG2 3.74Å; L298-V307 HydrophobicContact CB-CG1 4.45Å; L298-V307 HydrophobicContact CD1-CG1 4.18Å; L298-V307 HydrophobicContact CD1-CG2 4.24Å; W299-V307 WeakPolarHBondContact O-CA 3.41Å; V300-V307 HydrophobicContact CG1-CG2 4.32Å; V307-P310 HydrophobicContact CG1-CB 4.36Å
308	S	94.8	Very high	96.5	Very high	50 Å²	50	33.8 Å²	33.8	35%	0.35	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-43	174.5	57.2	0	0	0	0	110.9	D250 W299 T306	D250-S308 WeakPolarHBondContact OD1-CB 3.5Å; D250-S308 PolarHBondContact OD1-OG 2.84Å; W299-S308 PolarHBondContact O-N 3.21Å; W299-S308 PolarHBondContact O-OG 3.13Å; T306-S308 PolarHBondContact O-N 3.5Å
309	M	92.5	Very high	96.6	Very high	66 Å²	66	33 Å²	33	33%	0.325	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	124.4	174.9	-66.3	-166.6	-69.7	0	0	111.5	W299 V311	W299-M309 HydrophobicContact CB-CB 4.23Å; W299-M309 HydrophobicContact CD2-CE 3.9Å; W299-M309 HydrophobicContact CE3-CE 3.11Å; W299-M309 HydrophobicContact CH2-CE 4.24Å; W299-M309 HydrophobicContact CZ3-CE 3.31Å; W299-M309 PolarHBondContact N-O 3.18Å; W299-M309 PolarHBondContact O-N 3.17Å; M309-V311 HydrophobicContact CB-CG1 4.37Å; M309-V311 HydrophobicContact CB-CG2 3.94Å; M309-V311 PolarHBondContact O-N 3.12Å
310	P	95.5	Very high	96.8	Very high	49 Å²	49	31.6 Å²	31.6	32%	0.318	17%	0.166	S	C	.	.			trans	-84.8	57.4	177.3	36.8	-36.4	0	0	0	111.2	L298 V307 I355 P356	L298-P310 HydrophobicContact CD1-CB 4.25Å; V307-P310 HydrophobicContact CG1-CB 4.36Å; P310-I355 PolarHBondContact O-N 2.96Å; P310-P356 HydrophobicContact CB-CG 4Å; P310-P356 HydrophobicContact CG-CG 3.99Å; P310-P356 WeakPolarHBondContact O-CD 3.21Å
311	V	95.5	Very high	96.8	Very high	8 Å²	8	31.6 Å²	31.6	5%	0.048	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	150.4	-177.7	-61.1	0	0	0	0	111	M309 F352 Y353 V361	M309-V311 HydrophobicContact CB-CG1 4.37Å; M309-V311 HydrophobicContact CB-CG2 3.94Å; M309-V311 PolarHBondContact O-N 3.12Å; V311-F352 HydrophobicContact CB-CD2 4.41Å; V311-F352 HydrophobicContact CG2-CD2 4.08Å; V311-F352 HydrophobicContact CG2-CE2 4.29Å; V311-Y353 CarbonylContact C-O 3.51Å; V311-Y353 VanDerWaalsContact CA-O 3.28Å; V311-Y353 WeakPolarHBondContact CA-O 3.43Å; V311-V361 HydrophobicContact CG1-CG2 4.26Å
312	F	96.4	Very high	96.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	134.3	163.1	160.1	-113.7	0	0	0	108.4	W296 E316 A317 Y339 L349 Y353 I355	W296-F312 HydrophobicContact CE3-CB 3.68Å; W296-F312 HydrophobicContact CE3-CD2 4.33Å; W296-F312 HydrophobicContact CE3-CG 4.07Å; W296-F312 HydrophobicContact CZ3-CB 3.49Å; W296-F312 VanDerWaalsContact CZ3-CB 3.49Å; W296-F312 AromaticContact CZ3-CD1 3.93Å; W296-F312 HydrophobicContact CZ3-CD1 3.93Å; W296-F312 HydrophobicContact CZ3-CD2 4.06Å; W296-F312 AromaticContact CZ3-CG 3.56Å; W296-F312 HydrophobicContact CZ3-CG 3.56Å; F312-E316 HydrophobicContact CD2-CB 4.04Å; F312-E316 WeakPolarHBondContact CD2-OE2 3.42Å; F312-E316 HydrophobicContact CE2-CB 3.85Å; F312-A317 HydrophobicContact CZ-CB 4.25Å; F312-Y339 HydrophobicContact CD1-CD1 4.49Å; F312-Y339 AromaticContact CD2-CD1 3.73Å; F312-Y339 HydrophobicContact CD2-CD1 3.73Å; F312-Y339 AromaticContact CD2-CE1 3.26Å; F312-Y339 HydrophobicContact CD2-CE1 3.26Å; F312-Y339 AromaticContact CD2-CZ 3.72Å; F312-Y339 HydrophobicContact CE1-CD1 4.18Å; F312-Y339 AromaticContact CE2-CD1 3.34Å; F312-Y339 HydrophobicContact CE2-CD1 3.34Å; F312-Y339 AromaticContact CE2-CD2 3.94Å; F312-Y339 HydrophobicContact CE2-CD2 3.94Å; F312-Y339 AromaticContact CE2-CE1 3.16Å; F312-Y339 HydrophobicContact CE2-CE1 3.16Å; F312-Y339 AromaticContact CE2-CE2 3.78Å; F312-Y339 HydrophobicContact CE2-CE2 3.78Å; F312-Y339 AromaticContact CE2-CG 3.73Å; F312-Y339 HydrophobicContact CE2-CG 3.73Å; F312-Y339 AromaticContact CE2-CZ 3.39Å; F312-Y339 HydrophobicContact CG-CD1 4.29Å; F312-Y339 HydrophobicContact CG-CE1 4.09Å; F312-Y339 AromaticContact CZ-CD1 3.59Å; F312-Y339 HydrophobicContact CZ-CD1 3.59Å; F312-Y339 HydrophobicContact CZ-CD2 4.17Å; F312-Y339 AromaticContact CZ-CE1 3.93Å; F312-Y339 HydrophobicContact CZ-CE1 3.93Å; F312-Y339 HydrophobicContact CZ-CE2 4.46Å; F312-Y339 AromaticContact CZ-CG 3.71Å; F312-Y339 HydrophobicContact CZ-CG 3.71Å; F312-L349 HydrophobicContact CE1-CD1 4.17Å; F312-L349 HydrophobicContact CE1-CD2 4.18Å; F312-L349 HydrophobicContact CZ-CD1 3.89Å; F312-Y353 PolarHBondContact N-O 2.79Å; F312-Y353 PolarHBondContact O-N 2.91Å; F312-I355 HydrophobicContact CB-CD1 4.03Å; F312-I355 HydrophobicContact CB-CG1 4.17Å
313	Q	95.7	Very high	96.9	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.009	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	140.2	171.7	-50	178.3	-79.3	0	0	110.3	A255 W299 L315 E316 E351 F352	A255-Q313 VanDerWaalsContact N-OE1 3.09Å; W299-Q313 VanDerWaalsContact CE2-OE1 3.29Å; W299-Q313 VanDerWaalsContact CZ2-CD 3.47Å; Q313-L315 PolarHBondContact O-N 2.86Å; Q313-L315 VanDerWaalsContact O-N 3.11Å; Q313-E316 HydrophobicContact CB-CG 4.11Å; Q313-E316 VanDerWaalsContact O-CB 3.29Å; Q313-E316 WeakPolarHBondContact O-CB 3.41Å; Q313-E316 WeakPolarHBondContact O-CG 3.49Å; Q313-E316 PolarHBondContact O-N 3.03Å; Q313-E351 VanDerWaalsContact CA-O 3.24Å; Q313-E351 WeakPolarHBondContact CA-O 3.5Å; Q313-F352 HydrophobicContact CG-CD1 4.32Å; Q313-F352 HydrophobicContact CG-CE1 4.01Å; Q313-F352 HydrophobicContact CG-CE2 4.49Å; Q313-F352 HydrophobicContact CG-CZ 4.11Å
314	S	96.2	Very high	96.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-50	-40.3	178.7	55.4	0	0	0	0	113.6	E316 A317 P350 E351 R370	S314-E316 PolarHBondContact O-N 3.28Å; S314-E316 VanDerWaalsContact O-N 3.16Å; S314-A317 WeakPolarHBondContact O-CB 3.34Å; S314-A317 PolarHBondContact O-N 2.92Å; S314-P350 WeakPolarHBondContact CB-O 3.2Å; S314-E351 PolarHBondContact N-O 3.11Å; S314-R370 WeakPolarHBondContact OG-CD 3.4Å
315	L	96.8	Very high	96.8	Very high	30 Å²	30	19.4 Å²	19.4	16%	0.157	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-57.3	-25.7	176.1	-75.7	166.7	0	0	0	114.2	A255 Q313 A317 Y318 E372	A255-L315 HydrophobicContact CB-CD1 3.53Å; Q313-L315 PolarHBondContact O-N 2.86Å; Q313-L315 VanDerWaalsContact O-N 3.11Å; L315-A317 PolarHBondContact O-N 3.06Å; L315-Y318 WeakPolarHBondContact O-CD1 3.24Å; L315-E372 HydrophobicContact CD2-CG 4.42Å; L315-E372 VanDerWaalsContact CD2-OE1 3.32Å; L315-E372 WeakPolarHBondContact CD2-OE1 3.35Å
316	E	97.1	Very high	96.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-68.6	-13	177.3	-60.2	173.4	-174.4	0	0	112.4	I253 G254 F312 Q313 S314 Y318 W319	I253-E316 HydrophobicContact CD1-CB 4.25Å; I253-E316 HydrophobicContact CG1-CB 4.15Å; I253-E316 HydrophobicContact CG1-CG 3.94Å; G254-E316 VanDerWaalsContact CA-CG 3.42Å; F312-E316 HydrophobicContact CD2-CB 4.04Å; F312-E316 WeakPolarHBondContact CD2-OE2 3.42Å; F312-E316 HydrophobicContact CE2-CB 3.85Å; Q313-E316 HydrophobicContact CB-CG 4.11Å; Q313-E316 VanDerWaalsContact O-CB 3.29Å; Q313-E316 WeakPolarHBondContact O-CB 3.41Å; Q313-E316 WeakPolarHBondContact O-CG 3.49Å; Q313-E316 PolarHBondContact O-N 3.03Å; S314-E316 PolarHBondContact O-N 3.28Å; S314-E316 VanDerWaalsContact O-N 3.16Å; E316-Y318 PolarHBondContact O-N 3.06Å; E316-Y318 VanDerWaalsContact O-N 3.11Å; E316-W319 VanDerWaalsContact O-CB 3.29Å; E316-W319 WeakPolarHBondContact O-CB 3.27Å; E316-W319 PolarHBondContact O-N 2.65Å; E316-W319 VanDerWaalsContact O-N 3.11Å
317	A	98.5	Very high	96.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-69.1	-5.2	-177.1	0	0	0	0	0	114.6	F312 S314 L315 W319 P320 Y339 L349 E372 L373 S376	F312-A317 HydrophobicContact CZ-CB 4.25Å; S314-A317 WeakPolarHBondContact O-CB 3.34Å; S314-A317 PolarHBondContact O-N 2.92Å; L315-A317 PolarHBondContact O-N 3.06Å; A317-W319 VanDerWaalsContact C-N 3.31Å; A317-P320 WeakPolarHBondContact O-CD 3.33Å; A317-Y339 HydrophobicContact CB-CD2 3.94Å; A317-Y339 HydrophobicContact CB-CE2 4.4Å; A317-L349 HydrophobicContact CB-CD1 3.75Å; A317-E372 CarbonylContact C-O 3.56Å; A317-E372 HydrophobicContact CB-CB 4.03Å; A317-E372 CarbonylContact O-C 3.45Å; A317-L373 HydrophobicContact CB-CB 3.84Å; A317-L373 HydrophobicContact CB-CD1 4.22Å; A317-S376 WeakPolarHBondContact O-CB 3.21Å; A317-S376 PolarHBondContact O-OG 2.81Å
318	Y	98.6	Very high	96.8	Very high	7 Å²	7	17.2 Å²	17.2	3%	0.027	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-73.8	-25.1	171	83.9	-66.8	0	0	0	112.1	I253 D258 E262 L315 E316 G321 L322 S376	I253-Y318 VanDerWaalsContact O-CE1 3.24Å; I253-Y318 WeakPolarHBondContact O-CE1 3.45Å; I253-Y318 PolarHBondContact O-OH 3.23Å; D258-Y318 WeakPolarHBondContact CA-OH 3.17Å; D258-Y318 HydrophobicContact CB-CD1 4.43Å; D258-Y318 HydrophobicContact CB-CE1 3.81Å; D258-Y318 PolarHBondContact O-OH 3.29Å; E262-Y318 HydrophobicContact CB-CD2 4.33Å; E262-Y318 HydrophobicContact CB-CE2 3.95Å; E262-Y318 HydrophobicContact CG-CD2 4.27Å; E262-Y318 HydrophobicContact CG-CE2 4.36Å; L315-Y318 WeakPolarHBondContact O-CD1 3.24Å; E316-Y318 PolarHBondContact O-N 3.06Å; E316-Y318 VanDerWaalsContact O-N 3.11Å; Y318-G321 WeakPolarHBondContact O-CA 3.48Å; Y318-G321 PolarHBondContact O-N 2.97Å; Y318-L322 HydrophobicContact CD2-CB 4.45Å; Y318-L322 HydrophobicContact CE2-CB 4.45Å; Y318-L322 HydrophobicContact CE2-CD2 3.91Å; Y318-L322 PolarHBondContact O-N 3.14Å; Y318-S376 PolarHBondContact O-OG 3.26Å
319	W	98.5	Very high	96.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.3	-40.7	-168.3	-174	-98.7	0	0	0	114	I253 F261 F280 I287 Y297 E316 A317 G321 L322 Q323	I253-W319 HydrophobicContact CB-CD2 4.41Å; I253-W319 HydrophobicContact CB-CE3 4.07Å; I253-W319 HydrophobicContact CB-CZ3 4.38Å; I253-W319 HydrophobicContact CD1-CB 3.64Å; I253-W319 HydrophobicContact CD1-CD2 3.72Å; I253-W319 HydrophobicContact CD1-CE3 4.19Å; I253-W319 HydrophobicContact CD1-CG 3.46Å; I253-W319 VanDerWaalsContact CD1-CG 3.46Å; I253-W319 HydrophobicContact CG2-CD2 4.32Å; I253-W319 HydrophobicContact CG2-CE3 4.1Å; I253-W319 HydrophobicContact CG2-CH2 4.21Å; I253-W319 HydrophobicContact CG2-CZ2 4.44Å; I253-W319 HydrophobicContact CG2-CZ3 4.03Å; F261-W319 HydrophobicContact CB-CZ3 3.88Å; F261-W319 HydrophobicContact CD2-CZ3 4.01Å; F261-W319 HydrophobicContact CG-CZ3 4.15Å; F280-W319 AromaticContact CE2-CH2 3.8Å; F280-W319 HydrophobicContact CE2-CH2 3.8Å; F280-W319 HydrophobicContact CE2-CZ3 4.14Å; F280-W319 HydrophobicContact CZ-CH2 4.1Å; I287-W319 HydrophobicContact CD1-CH2 3.65Å; I287-W319 HydrophobicContact CD1-CZ2 4.27Å; I287-W319 HydrophobicContact CD1-CZ3 4.38Å; I287-W319 HydrophobicContact CG2-CH2 4.47Å; I287-W319 HydrophobicContact CG2-CZ2 4.09Å; Y297-W319 AromaticContact CE1-NE1 3.67Å; Y297-W319 AromaticContact CE2-CD1 3.67Å; Y297-W319 AromaticContact CE2-NE1 3.81Å; Y297-W319 AromaticContact CZ-CD1 3.67Å; Y297-W319 AromaticContact CZ-NE1 3.29Å; Y297-W319 VanDerWaalsContact CZ-NE1 3.29Å; Y297-W319 PolarHBondContact OH-NE1 3.5Å; E316-W319 VanDerWaalsContact O-CB 3.29Å; E316-W319 WeakPolarHBondContact O-CB 3.27Å; E316-W319 PolarHBondContact O-N 2.65Å; E316-W319 VanDerWaalsContact O-N 3.11Å; A317-W319 VanDerWaalsContact C-N 3.31Å; W319-G321 VanDerWaalsContact C-N 3.3Å; W319-G321 PolarHBondContact O-N 3.08Å; W319-L322 HydrophobicContact CE3-CD2 3.92Å; W319-L322 HydrophobicContact CZ3-CD2 3.8Å; W319-L322 WeakPolarHBondContact O-CB 3.27Å; W319-L322 PolarHBondContact O-N 3.28Å; W319-Q323 VanDerWaalsContact CD1-CD 3.42Å; W319-Q323 VanDerWaalsContact CD1-OE1 3.3Å; W319-Q323 WeakPolarHBondContact O-CG 3.47Å; W319-Q323 PolarHBondContact O-N 3.36Å
320	P	98.6	Very high	97.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-58.2	-39.6	172	-25.6	36	0	0	0	113.4	A317 Q323 S324 A332 T335 F336 Y339 L380	A317-P320 WeakPolarHBondContact O-CD 3.33Å; P320-Q323 PolarHBondContact O-N 2.93Å; P320-S324 PolarHBondContact O-N 3.18Å; P320-A332 HydrophobicContact CB-CB 4.12Å; P320-A332 WeakPolarHBondContact O-CB 3.4Å; P320-T335 HydrophobicContact CG-CG2 3.93Å; P320-F336 HydrophobicContact CB-CB 4.03Å; P320-F336 HydrophobicContact CG-CB 4.15Å; P320-Y339 HydrophobicContact CG-CD2 4.16Å; P320-Y339 HydrophobicContact CG-CE2 4.03Å; P320-L380 HydrophobicContact CB-CD1 3.96Å
321	G	98.3	Very high	97.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.7	-49.3	172.9	0	0	0	0	0	111.1	Y318 W319 Q323 S324 L325 S376	Y318-G321 WeakPolarHBondContact O-CA 3.48Å; Y318-G321 PolarHBondContact O-N 2.97Å; W319-G321 VanDerWaalsContact C-N 3.3Å; W319-G321 PolarHBondContact O-N 3.08Å; G321-Q323 PolarHBondContact O-N 3.16Å; G321-S324 WeakPolarHBondContact O-CB 3.4Å; G321-S324 PolarHBondContact O-N 3.29Å; G321-S324 VanDerWaalsContact O-N 3.12Å; G321-S324 PolarHBondContact O-OG 3.12Å; G321-L325 PolarHBondContact O-N 3.12Å; G321-S376 PolarHBondContact N-OG 3.44Å
322	L	98.4	Very high	97.3	Very high	4 Å²	4	17.3 Å²	17.3	2%	0.021	10%	0.101	C	C	.	.	H	α-helix	trans	-60.1	-42.2	175.8	-168.9	66.3	0	0	0	113	F261 E262 V265 F280 Y318 W319 S324 L325	F261-L322 HydrophobicContact CB-CD2 4.34Å; E262-L322 HydrophobicContact CG-CD1 4.21Å; V265-L322 HydrophobicContact CB-CD1 3.57Å; V265-L322 HydrophobicContact CB-CG 4.44Å; V265-L322 HydrophobicContact CG1-CD1 3.85Å; V265-L322 HydrophobicContact CG2-CD1 3.72Å; V265-L322 HydrophobicContact CG2-CD2 4.25Å; V265-L322 HydrophobicContact CG2-CG 4.07Å; F280-L322 HydrophobicContact CE2-CD2 3.69Å; F280-L322 HydrophobicContact CE2-CG 4.45Å; F280-L322 HydrophobicContact CZ-CD2 4.08Å; F280-L322 HydrophobicContact CZ-CG 4.42Å; Y318-L322 HydrophobicContact CD2-CB 4.45Å; Y318-L322 HydrophobicContact CE2-CB 4.45Å; Y318-L322 HydrophobicContact CE2-CD2 3.91Å; Y318-L322 PolarHBondContact O-N 3.14Å; W319-L322 HydrophobicContact CE3-CD2 3.92Å; W319-L322 HydrophobicContact CZ3-CD2 3.8Å; W319-L322 WeakPolarHBondContact O-CB 3.27Å; W319-L322 PolarHBondContact O-N 3.28Å; L322-S324 VanDerWaalsContact C-N 3.27Å; L322-S324 PolarHBondContact O-N 3.42Å; L322-L325 HydrophobicContact CD1-CD1 4.34Å; L322-L325 WeakPolarHBondContact O-CB 3.29Å; L322-L325 PolarHBondContact O-N 2.61Å
323	Q	98.3	Very high	97.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.7	-35.2	175.9	-75.7	179.7	-57.3	0	0	111.9	Y297 W319 P320 G321 L325 I326 G327 D328 A332	Y297-Q323 PolarHBondContact OH-NE2 2.64Å; W319-Q323 VanDerWaalsContact CD1-CD 3.42Å; W319-Q323 VanDerWaalsContact CD1-OE1 3.3Å; W319-Q323 WeakPolarHBondContact O-CG 3.47Å; W319-Q323 PolarHBondContact O-N 3.36Å; P320-Q323 PolarHBondContact O-N 2.93Å; G321-Q323 PolarHBondContact O-N 3.16Å; Q323-L325 VanDerWaalsContact C-N 3.31Å; Q323-L325 PolarHBondContact O-N 3.43Å; Q323-I326 WeakPolarHBondContact O-CG1 3.35Å; Q323-I326 PolarHBondContact O-N 2.9Å; Q323-G327 PolarHBondContact O-N 2.68Å; Q323-D328 HydrophobicContact CB-CB 4.23Å; Q323-D328 PolarHBondContact O-N 3.4Å; Q323-A332 HydrophobicContact CB-CB 3.73Å
324	S	97.6	Very high	97.5	Very high	8 Å²	8	23.5 Å²	23.5	6%	0.056	13%	0.126	C	C	.	.	H	α-helix	trans	-66.6	-34.3	175.6	82.2	0	0	0	0	112.6	P320 G321 L322 I326 G327 Y379	P320-S324 PolarHBondContact O-N 3.18Å; G321-S324 WeakPolarHBondContact O-CB 3.4Å; G321-S324 PolarHBondContact O-N 3.29Å; G321-S324 VanDerWaalsContact O-N 3.12Å; G321-S324 PolarHBondContact O-OG 3.12Å; L322-S324 VanDerWaalsContact C-N 3.27Å; L322-S324 PolarHBondContact O-N 3.42Å; S324-I326 PolarHBondContact O-N 3.4Å; S324-G327 PolarHBondContact O-N 3.21Å; S324-Y379 WeakPolarHBondContact OG-CB 3.48Å
325	L	96.1	Very high	97.6	Very high	30 Å²	30	23.5 Å²	23.5	16%	0.157	13%	0.126	C	C	.	.	H	α-helix	trans	-65.9	-17.3	176.6	-68.5	177.6	0	0	0	113.9	V265 K266 I269 G321 L322 Q323 Y379 G571	V265-L325 HydrophobicContact CG1-CB 4.24Å; K266-L325 HydrophobicContact CG-CD1 4.29Å; I269-L325 HydrophobicContact CD1-CB 4.39Å; G321-L325 PolarHBondContact O-N 3.12Å; L322-L325 HydrophobicContact CD1-CD1 4.34Å; L322-L325 WeakPolarHBondContact O-CB 3.29Å; L322-L325 PolarHBondContact O-N 2.61Å; Q323-L325 VanDerWaalsContact C-N 3.31Å; Q323-L325 PolarHBondContact O-N 3.43Å; L325-Y379 HydrophobicContact CD1-CE1 4.4Å; L325-Y379 HydrophobicContact CD2-CD1 3.73Å; L325-Y379 HydrophobicContact CD2-CE1 3.58Å; L325-Y379 HydrophobicContact CG-CD1 4.3Å; L325-Y379 HydrophobicContact CG-CE1 4.27Å; L325-G571 WeakPolarHBondContact O-CA 3.42Å
326	I	96.1	Very high	97.6	Very high	36 Å²	36	22.1 Å²	22.1	19%	0.185	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	7.1	174.2	65.6	170.6	0	0	0	112.3	V265 M277 F280 Q323 S324 D328	V265-I326 HydrophobicContact CG1-CG2 3.83Å; V265-I326 HydrophobicContact CG2-CG2 4.24Å; M277-I326 HydrophobicContact CE-CG2 4.34Å; M277-I326 HydrophobicContact SD-CG2 4.33Å; F280-I326 HydrophobicContact CD1-CG2 4.49Å; F280-I326 HydrophobicContact CE1-CD1 3.64Å; F280-I326 HydrophobicContact CE1-CG2 4.03Å; F280-I326 HydrophobicContact CZ-CD1 4.2Å; Q323-I326 WeakPolarHBondContact O-CG1 3.35Å; Q323-I326 PolarHBondContact O-N 2.9Å; S324-I326 PolarHBondContact O-N 3.4Å; I326-D328 HydrophobicContact CD1-CB 4.15Å; I326-D328 HydrophobicContact CG1-CB 4.08Å
327	G	96.1	Very high	97.7	Very high	40 Å²	40	25.7 Å²	25.7	41%	0.412	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	12.5	-179.4	0	0	0	0	0	115.7	Q323 S324 I329	Q323-G327 PolarHBondContact O-N 2.68Å; S324-G327 PolarHBondContact O-N 3.21Å; G327-I329 PolarHBondContact O-N 3.48Å
328	D	97	Very high	97.6	Very high	31 Å²	31	27.6 Å²	27.6	17%	0.166	15%	0.147	C	C	.	.			trans	-85.7	56.1	177.7	-167.8	11.3	0	0	0	112.1	Q323 I326 D330 N331 A332	Q323-D328 HydrophobicContact CB-CB 4.23Å; Q323-D328 PolarHBondContact O-N 3.4Å; I326-D328 HydrophobicContact CD1-CB 4.15Å; I326-D328 HydrophobicContact CG1-CB 4.08Å; D328-D330 PolarHBondContact O-N 3.44Å; D328-N331 WeakPolarHBondContact OD1-CB 3.23Å; D328-N331 PolarHBondContact OD1-ND2 2.84Å; D328-N331 PolarHBondContact OD2-ND2 3.4Å; D328-A332 WeakPolarHBondContact O-CB 3.4Å; D328-A332 PolarHBondContact O-N 3.01Å; D328-A332 VanDerWaalsContact O-N 3.1Å
329	I	97.8	Very high	97.6	Very high	43 Å²	43	27.3 Å²	27.3	22%	0.221	15%	0.146	C	C	.	.	H	α-helix	trans	-63.6	-42.3	-169.9	-56.5	-61	0	0	0	112.6	G327 N331 A332 M333 A383 T384	G327-I329 PolarHBondContact O-N 3.48Å; I329-N331 PolarHBondContact O-N 3.22Å; I329-A332 PolarHBondContact O-N 3.4Å; I329-M333 HydrophobicContact CG2-CG 4.28Å; I329-M333 WeakPolarHBondContact O-CG 3.47Å; I329-M333 PolarHBondContact O-N 3.34Å; I329-A383 HydrophobicContact CD1-CB 3.66Å; I329-T384 HydrophobicContact CG2-CG2 3.52Å
330	D	96.5	Very high	97.6	Very high	118 Å²	118	28 Å²	28	63%	0.631	15%	0.149	S	C	*	.	H	α-helix	trans	-66.2	-39.1	-175.6	-72.6	-21.5	0	0	0	112.5	D328 R334	D328-D330 PolarHBondContact O-N 3.44Å; D330-R334 WeakPolarHBondContact O-CG 3.38Å; D330-R334 PolarHBondContact O-N 3.12Å
331	N	96.7	Very high	97.6	Very high	15 Å²	15	31.6 Å²	31.6	8%	0.08	17%	0.171	C	C	.	.	H	α-helix	trans	-71.1	-43.4	175.5	-70.8	-47	0	0	0	110.6	R292 D328 I329 M333 R334 T335	R292-N331 VanDerWaalsContact CZ-OD1 3.27Å; R292-N331 PolarHBondContact NH1-OD1 3.48Å; R292-N331 PolarHBondContact NH2-OD1 3.18Å; D328-N331 WeakPolarHBondContact OD1-CB 3.23Å; D328-N331 PolarHBondContact OD1-ND2 2.84Å; D328-N331 PolarHBondContact OD2-ND2 3.4Å; I329-N331 PolarHBondContact O-N 3.22Å; N331-M333 PolarHBondContact O-N 2.8Å; N331-R334 PolarHBondContact O-N 3.36Å; N331-R334 PolarHBondContact OD1-NH2 3.18Å; N331-T335 PolarHBondContact O-N 3.32Å; N331-T335 VanDerWaalsContact O-N 3.08Å; N331-T335 PolarHBondContact O-OG1 3.29Å
332	A	98.1	Very high	97.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-56.2	-48.9	178.1	0	0	0	0	0	112	P320 Q323 D328 I329 R334 T335 F336 L380	P320-A332 HydrophobicContact CB-CB 4.12Å; P320-A332 WeakPolarHBondContact O-CB 3.4Å; Q323-A332 HydrophobicContact CB-CB 3.73Å; D328-A332 WeakPolarHBondContact O-CB 3.4Å; D328-A332 PolarHBondContact O-N 3.01Å; D328-A332 VanDerWaalsContact O-N 3.1Å; I329-A332 PolarHBondContact O-N 3.4Å; A332-R334 PolarHBondContact O-N 2.87Å; A332-T335 PolarHBondContact O-N 3.45Å; A332-F336 WeakPolarHBondContact O-CB 3.42Å; A332-F336 PolarHBondContact O-N 3.36Å; A332-L380 HydrophobicContact CB-CD1 4.5Å; A332-L380 HydrophobicContact CB-CD2 3.69Å
333	M	98.3	Very high	97.6	Very high	26 Å²	26	31.6 Å²	31.6	13%	0.128	17%	0.171	C	C	.	.	H	α-helix	trans	-62.2	-39.9	179.5	-74.3	-58.6	-61.1	0	0	112.8	I329 N331 F336 L337 L380 L389	I329-M333 HydrophobicContact CG2-CG 4.28Å; I329-M333 WeakPolarHBondContact O-CG 3.47Å; I329-M333 PolarHBondContact O-N 3.34Å; N331-M333 PolarHBondContact O-N 2.8Å; M333-F336 PolarHBondContact O-N 3.02Å; M333-L337 WeakPolarHBondContact O-CB 3.05Å; M333-L337 WeakPolarHBondContact O-CG 3.34Å; M333-L337 PolarHBondContact O-N 3.43Å; M333-L380 HydrophobicContact CG-CD2 4.33Å; M333-L380 HydrophobicContact SD-CB 4.16Å; M333-L380 HydrophobicContact SD-CD1 3.89Å; M333-L380 HydrophobicContact SD-CD2 3.97Å; M333-L380 HydrophobicContact SD-CG 4.24Å; M333-L389 HydrophobicContact CE-CD2 4.27Å; M333-L389 HydrophobicContact SD-CD1 4.36Å; M333-L389 HydrophobicContact SD-CD2 4.26Å
334	R	97.9	Very high	97.6	Very high	106 Å²	106	36.9 Å²	36.9	40%	0.4	19%	0.194	S	C	.	.	H	α-helix	trans	-63.5	-48.1	177.4	-75	-170.2	-70	-91.5	-1	112	D295 D330 N331 A332 L337 N338	D295-R334 HydrophobicContact CB-CB 4.2Å; D295-R334 IonicContact OD1-NE 2.72Å; D295-R334 WeakPolarHBondContact OD2-CD 3.42Å; D295-R334 IonicContact OD2-NE 2.69Å; D330-R334 WeakPolarHBondContact O-CG 3.38Å; D330-R334 PolarHBondContact O-N 3.12Å; N331-R334 PolarHBondContact O-N 3.36Å; N331-R334 PolarHBondContact OD1-NH2 3.18Å; A332-R334 PolarHBondContact O-N 2.87Å; R334-L337 PolarHBondContact O-N 3.05Å; R334-N338 PolarHBondContact O-N 3.41Å
335	T	97.8	Very high	97.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.2	-42.4	177.7	-66.4	0	0	0	0	111.5	D295 Y297 P320 N331 A332 L337 N338 Y339	D295-T335 PolarHBondContact O-OG1 3.21Å; Y297-T335 HydrophobicContact CD2-CG2 4.13Å; Y297-T335 HydrophobicContact CE2-CG2 3.88Å; P320-T335 HydrophobicContact CG-CG2 3.93Å; N331-T335 PolarHBondContact O-N 3.32Å; N331-T335 VanDerWaalsContact O-N 3.08Å; N331-T335 PolarHBondContact O-OG1 3.29Å; A332-T335 PolarHBondContact O-N 3.45Å; T335-L337 VanDerWaalsContact C-N 3.34Å; T335-L337 PolarHBondContact O-N 3.49Å; T335-N338 WeakPolarHBondContact O-CB 3.44Å; T335-N338 PolarHBondContact O-N 3.05Å; T335-Y339 HydrophobicContact CG2-CD2 4.11Å; T335-Y339 HydrophobicContact CG2-CE1 3.98Å; T335-Y339 HydrophobicContact CG2-CE2 3.39Å; T335-Y339 WeakPolarHBondContact CG2-OH 3.44Å; T335-Y339 PolarHBondContact O-N 3.12Å; T335-Y339 VanDerWaalsContact O-N 3.14Å
336	F	98.6	Very high	97.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.4	-44.8	175.6	177.2	-88.3	0	0	0	112.3	P320 A332 M333 N338 Y339 Y340 L373 A377 L380 L389 L392	P320-F336 HydrophobicContact CB-CB 4.03Å; P320-F336 HydrophobicContact CG-CB 4.15Å; A332-F336 WeakPolarHBondContact O-CB 3.42Å; A332-F336 PolarHBondContact O-N 3.36Å; M333-F336 PolarHBondContact O-N 3.02Å; F336-N338 VanDerWaalsContact C-N 3.32Å; F336-N338 PolarHBondContact O-N 3.38Å; F336-Y339 PolarHBondContact O-N 3.2Å; F336-Y339 VanDerWaalsContact O-N 3.14Å; F336-Y340 HydrophobicContact CE1-CD1 4.45Å; F336-Y340 WeakPolarHBondContact O-CB 3.45Å; F336-Y340 PolarHBondContact O-N 3.17Å; F336-L373 HydrophobicContact CD2-CD1 3.72Å; F336-L373 HydrophobicContact CE2-CD1 3.64Å; F336-L373 HydrophobicContact CE2-CG 4.24Å; F336-L373 HydrophobicContact CZ-CD1 4.43Å; F336-A377 HydrophobicContact CE2-CB 3.72Å; F336-A377 HydrophobicContact CZ-CB 3.79Å; F336-L380 HydrophobicContact CB-CD1 3.86Å; F336-L380 HydrophobicContact CD2-CD1 3.85Å; F336-L380 HydrophobicContact CG-CD1 3.87Å; F336-L389 HydrophobicContact CD1-CD2 3.89Å; F336-L389 HydrophobicContact CE1-CD2 3.38Å; F336-L389 HydrophobicContact CE2-CD2 4.12Å; F336-L389 HydrophobicContact CG-CD2 4.45Å; F336-L389 HydrophobicContact CZ-CD2 3.47Å; F336-L389 VanDerWaalsContact CZ-CD2 3.47Å; F336-L392 HydrophobicContact CE2-CD2 3.87Å; F336-L392 HydrophobicContact CZ-CB 4.09Å; F336-L392 HydrophobicContact CZ-CD2 3.56Å; F336-L392 HydrophobicContact CZ-CG 4.24Å
337	L	98.1	Very high	97.7	Very high	76 Å²	76	39.1 Å²	39.1	40%	0.398	20%	0.204	S	C	.	.	H	α-helix	trans	-62.3	-39.5	179.5	-72.9	170.8	0	0	0	111.8	M333 R334 T335 Y339 Y340 T341 T388	M333-L337 WeakPolarHBondContact O-CB 3.05Å; M333-L337 WeakPolarHBondContact O-CG 3.34Å; M333-L337 PolarHBondContact O-N 3.43Å; R334-L337 PolarHBondContact O-N 3.05Å; T335-L337 VanDerWaalsContact C-N 3.34Å; T335-L337 PolarHBondContact O-N 3.49Å; L337-Y339 PolarHBondContact O-N 2.92Å; L337-Y340 PolarHBondContact O-N 3Å; L337-T341 WeakPolarHBondContact O-CG2 3.5Å; L337-T341 PolarHBondContact O-N 2.92Å; L337-T388 HydrophobicContact CD2-CG2 4.15Å
338	N	97.5	Very high	97.7	Very high	40 Å²	40	37.2 Å²	37.2	21%	0.214	19%	0.185	C	C	.	.	H	α-helix	trans	-57.5	-48.2	172.2	-80.5	-9.8	0	0	0	111.2	D294 W296 R334 T335 F336 Y340 T341	D294-N338 PolarHBondContact O-ND2 3.22Å; W296-N338 HydrophobicContact CD2-CB 4.46Å; W296-N338 HydrophobicContact CH2-CB 4Å; W296-N338 HydrophobicContact CZ2-CB 3.67Å; W296-N338 PolarHBondContact NE1-ND2 3.02Å; R334-N338 PolarHBondContact O-N 3.41Å; T335-N338 WeakPolarHBondContact O-CB 3.44Å; T335-N338 PolarHBondContact O-N 3.05Å; F336-N338 VanDerWaalsContact C-N 3.32Å; F336-N338 PolarHBondContact O-N 3.38Å; N338-Y340 PolarHBondContact O-N 3.25Å; N338-T341 PolarHBondContact O-N 3.42Å; N338-T341 PolarHBondContact O-OG1 2.64Å
339	Y	98.2	Very high	97.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66.2	-38.6	179.6	-57.9	-17.9	0	0	0	112.2	W296 F312 A317 P320 T335 F336 L337 T341 V342 W343 L349 L373	W296-Y339 HydrophobicContact CE3-CD1 4.12Å; W296-Y339 AromaticContact CE3-CE1 3.7Å; W296-Y339 HydrophobicContact CE3-CE1 3.7Å; W296-Y339 HydrophobicContact CH2-CD1 4.25Å; W296-Y339 AromaticContact CZ3-CD1 3.61Å; W296-Y339 HydrophobicContact CZ3-CD1 3.61Å; W296-Y339 AromaticContact CZ3-CE1 3.65Å; W296-Y339 HydrophobicContact CZ3-CE1 3.65Å; F312-Y339 HydrophobicContact CD1-CD1 4.49Å; F312-Y339 AromaticContact CD2-CD1 3.73Å; F312-Y339 HydrophobicContact CD2-CD1 3.73Å; F312-Y339 AromaticContact CD2-CE1 3.26Å; F312-Y339 HydrophobicContact CD2-CE1 3.26Å; F312-Y339 AromaticContact CD2-CZ 3.72Å; F312-Y339 HydrophobicContact CE1-CD1 4.18Å; F312-Y339 AromaticContact CE2-CD1 3.34Å; F312-Y339 HydrophobicContact CE2-CD1 3.34Å; F312-Y339 AromaticContact CE2-CD2 3.94Å; F312-Y339 HydrophobicContact CE2-CD2 3.94Å; F312-Y339 AromaticContact CE2-CE1 3.16Å; F312-Y339 HydrophobicContact CE2-CE1 3.16Å; F312-Y339 AromaticContact CE2-CE2 3.78Å; F312-Y339 HydrophobicContact CE2-CE2 3.78Å; F312-Y339 AromaticContact CE2-CG 3.73Å; F312-Y339 HydrophobicContact CE2-CG 3.73Å; F312-Y339 AromaticContact CE2-CZ 3.39Å; F312-Y339 HydrophobicContact CG-CD1 4.29Å; F312-Y339 HydrophobicContact CG-CE1 4.09Å; F312-Y339 AromaticContact CZ-CD1 3.59Å; F312-Y339 HydrophobicContact CZ-CD1 3.59Å; F312-Y339 HydrophobicContact CZ-CD2 4.17Å; F312-Y339 AromaticContact CZ-CE1 3.93Å; F312-Y339 HydrophobicContact CZ-CE1 3.93Å; F312-Y339 HydrophobicContact CZ-CE2 4.46Å; F312-Y339 AromaticContact CZ-CG 3.71Å; F312-Y339 HydrophobicContact CZ-CG 3.71Å; A317-Y339 HydrophobicContact CB-CD2 3.94Å; A317-Y339 HydrophobicContact CB-CE2 4.4Å; P320-Y339 HydrophobicContact CG-CD2 4.16Å; P320-Y339 HydrophobicContact CG-CE2 4.03Å; T335-Y339 HydrophobicContact CG2-CD2 4.11Å; T335-Y339 HydrophobicContact CG2-CE1 3.98Å; T335-Y339 HydrophobicContact CG2-CE2 3.39Å; T335-Y339 WeakPolarHBondContact CG2-OH 3.44Å; T335-Y339 PolarHBondContact O-N 3.12Å; T335-Y339 VanDerWaalsContact O-N 3.14Å; F336-Y339 PolarHBondContact O-N 3.2Å; F336-Y339 VanDerWaalsContact O-N 3.14Å; L337-Y339 PolarHBondContact O-N 2.92Å; Y339-T341 VanDerWaalsContact C-N 3.28Å; Y339-T341 PolarHBondContact O-N 2.89Å; Y339-V342 WeakPolarHBondContact O-CB 3.5Å; Y339-V342 PolarHBondContact O-N 3.43Å; Y339-V342 VanDerWaalsContact O-N 3.1Å; Y339-W343 PolarHBondContact O-N 3.38Å; Y339-L349 WeakPolarHBondContact O-CD2 3.1Å; Y339-L373 HydrophobicContact CD2-CD1 4.49Å
340	Y	98.4	Very high	97.8	Very high	14 Å²	14	33.9 Å²	33.9	6%	0.055	17%	0.167	C	C	.	.	H	α-helix	trans	-62.8	-33.4	175	-175.7	-155.7	0	0	0	112.3	F336 L337 N338 V342 W343 K344 T388 E391 L392 D395	F336-Y340 HydrophobicContact CE1-CD1 4.45Å; F336-Y340 WeakPolarHBondContact O-CB 3.45Å; F336-Y340 PolarHBondContact O-N 3.17Å; L337-Y340 PolarHBondContact O-N 3Å; N338-Y340 PolarHBondContact O-N 3.25Å; Y340-V342 VanDerWaalsContact C-N 3.27Å; Y340-V342 PolarHBondContact O-N 3.3Å; Y340-W343 HydrophobicContact CD2-CB 4.2Å; Y340-W343 WeakPolarHBondContact O-CB 3.3Å; Y340-W343 PolarHBondContact O-N 2.96Å; Y340-K344 HydrophobicContact CD2-CG 4.07Å; Y340-K344 HydrophobicContact CE2-CD 3.96Å; Y340-K344 HydrophobicContact CE2-CG 3.87Å; Y340-K344 WeakPolarHBondContact O-CG 3.4Å; Y340-K344 PolarHBondContact O-N 3.33Å; Y340-K344 WeakPolarHBondContact OH-CE 3.33Å; Y340-K344 PolarHBondContact OH-NZ 3.33Å; Y340-K344 VanDerWaalsContact OH-NZ 3.13Å; Y340-T388 HydrophobicContact CD1-CG2 4.45Å; Y340-T388 HydrophobicContact CE1-CG2 4.14Å; Y340-E391 VanDerWaalsContact OH-C 3.28Å; Y340-E391 PolarHBondContact OH-O 2.83Å; Y340-L392 HydrophobicContact CD2-CB 4.22Å; Y340-L392 HydrophobicContact CD2-CD1 3.15Å; Y340-L392 HydrophobicContact CD2-CG 4.26Å; Y340-L392 HydrophobicContact CE1-CB 4.42Å; Y340-L392 HydrophobicContact CE2-CB 3.93Å; Y340-L392 HydrophobicContact CE2-CD1 3.44Å; Y340-L392 VanDerWaalsContact CE2-CD1 3.44Å; Y340-L392 HydrophobicContact CE2-CG 4.26Å; Y340-L392 HydrophobicContact CG-CD1 3.9Å; Y340-L392 PolarHBondContact OH-N 3.18Å; Y340-D395 WeakPolarHBondContact CE2-OD2 3.37Å; Y340-D395 PolarHBondContact OH-OD2 3.17Å
341	T	97.8	Very high	97.8	Very high	77 Å²	77	29.6 Å²	29.6	47%	0.472	14%	0.143	S	C	.	.	H	α-helix	trans	-61.4	-36.3	173.8	71.4	0	0	0	0	112.6	L337 N338 Y339 K344 Q345	L337-T341 WeakPolarHBondContact O-CG2 3.5Å; L337-T341 PolarHBondContact O-N 2.92Å; N338-T341 PolarHBondContact O-N 3.42Å; N338-T341 PolarHBondContact O-OG1 2.64Å; Y339-T341 VanDerWaalsContact C-N 3.28Å; Y339-T341 PolarHBondContact O-N 2.89Å; T341-K344 PolarHBondContact O-N 2.91Å; T341-Q345 PolarHBondContact O-N 3.3Å; T341-Q345 VanDerWaalsContact O-N 3.15Å
342	V	98.3	Very high	97.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-66.9	-43	175.5	-176	0	0	0	0	110.1	W296 Y339 Y340 K344 Q345 F346 L349 P350 Y353	W296-V342 HydrophobicContact CH2-CG2 3.85Å; Y339-V342 WeakPolarHBondContact O-CB 3.5Å; Y339-V342 PolarHBondContact O-N 3.43Å; Y339-V342 VanDerWaalsContact O-N 3.1Å; Y340-V342 VanDerWaalsContact C-N 3.27Å; Y340-V342 PolarHBondContact O-N 3.3Å; V342-K344 PolarHBondContact O-N 3.49Å; V342-Q345 WeakPolarHBondContact O-CB 3.32Å; V342-Q345 PolarHBondContact O-N 3.47Å; V342-Q345 VanDerWaalsContact O-N 3.12Å; V342-F346 HydrophobicContact CG1-CD2 4.02Å; V342-F346 HydrophobicContact CG1-CE2 4.29Å; V342-F346 WeakPolarHBondContact O-CD2 3.08Å; V342-F346 PolarHBondContact O-N 2.98Å; V342-L349 HydrophobicContact CB-CD2 3.91Å; V342-L349 HydrophobicContact CG1-CD2 4.01Å; V342-P350 HydrophobicContact CG1-CG 4.24Å; V342-Y353 HydrophobicContact CG1-CD2 3.87Å; V342-Y353 HydrophobicContact CG1-CE2 4.17Å; V342-Y353 HydrophobicContact CG1-CG 4.15Å; V342-Y353 HydrophobicContact CG2-CD1 3.96Å; V342-Y353 HydrophobicContact CG2-CD2 4.37Å; V342-Y353 HydrophobicContact CG2-CE1 3.84Å; V342-Y353 HydrophobicContact CG2-CE2 4.28Å; V342-Y353 HydrophobicContact CG2-CG 4.2Å
343	W	98.4	Very high	97.8	Very high	3 Å²	3	30.4 Å²	30.4	1%	0.011	15%	0.146	C	C	.	.	H	α-helix	trans	-57.9	-47.3	174.1	-170.6	-72	0	0	0	111.7	Y339 Y340 Q345 F346 G347 L349 Y367 L373 I374 L392 A396 I400	Y339-W343 PolarHBondContact O-N 3.38Å; Y340-W343 HydrophobicContact CD2-CB 4.2Å; Y340-W343 WeakPolarHBondContact O-CB 3.3Å; Y340-W343 PolarHBondContact O-N 2.96Å; W343-Q345 PolarHBondContact O-N 2.83Å; W343-F346 PolarHBondContact O-N 2.56Å; W343-G347 WeakPolarHBondContact O-CA 3.39Å; W343-G347 PolarHBondContact O-N 3.39Å; W343-L349 HydrophobicContact CB-CD2 4.19Å; W343-L349 HydrophobicContact CE3-CD2 4.32Å; W343-L349 HydrophobicContact CE3-CG 3.96Å; W343-L349 HydrophobicContact CZ3-CG 4.48Å; W343-Y367 HydrophobicContact CH2-CE1 4.15Å; W343-Y367 HydrophobicContact CH2-CE2 4.49Å; W343-Y367 AromaticContact CH2-CZ 3.74Å; W343-Y367 WeakPolarHBondContact CH2-OH 3.38Å; W343-Y367 HydrophobicContact CZ3-CE2 4.25Å; W343-Y367 AromaticContact CZ3-CZ 3.94Å; W343-L373 HydrophobicContact CB-CD2 4.09Å; W343-L373 HydrophobicContact CD2-CD2 4.35Å; W343-L373 HydrophobicContact CE3-CD2 3.78Å; W343-I374 HydrophobicContact CH2-CD1 4.49Å; W343-L392 HydrophobicContact CB-CD1 4.44Å; W343-L392 HydrophobicContact CD2-CD1 4.46Å; W343-L392 HydrophobicContact CG-CD1 4.23Å; W343-A396 HydrophobicContact CH2-CB 4.11Å; W343-A396 VanDerWaalsContact CZ2-CA 3.46Å; W343-A396 HydrophobicContact CZ2-CB 3.63Å; W343-I400 HydrophobicContact CH2-CD1 4.35Å; W343-I400 HydrophobicContact CZ2-CG1 4.44Å
344	K	97.6	Very high	97.7	Very high	112 Å²	112	30.7 Å²	30.7	49%	0.487	15%	0.148	S	C	.	.	H	α-helix	trans	-58.6	-30.8	177.6	-73.2	-72.5	-156.5	-178.5	0	112.9	Y340 T341 V342 D395	Y340-K344 HydrophobicContact CD2-CG 4.07Å; Y340-K344 HydrophobicContact CE2-CD 3.96Å; Y340-K344 HydrophobicContact CE2-CG 3.87Å; Y340-K344 WeakPolarHBondContact O-CG 3.4Å; Y340-K344 PolarHBondContact O-N 3.33Å; Y340-K344 WeakPolarHBondContact OH-CE 3.33Å; Y340-K344 PolarHBondContact OH-NZ 3.33Å; Y340-K344 VanDerWaalsContact OH-NZ 3.13Å; T341-K344 PolarHBondContact O-N 2.91Å; V342-K344 PolarHBondContact O-N 3.49Å; K344-D395 WeakPolarHBondContact CD-OD2 3.32Å; K344-D395 WeakPolarHBondContact CE-OD2 3.37Å; K344-D395 IonicContact NZ-OD1 2.6Å; K344-D395 IonicContact NZ-OD2 2.79Å; K344-D395 PolarHBondContact NZ-OD2 2.94Å
345	Q	97.4	Very high	97.6	Very high	93 Å²	93	27.5 Å²	27.5	44%	0.435	14%	0.138	S	C	.	.	H	α-helix	trans	-73.7	-40	179.7	-176	176.7	-4	0	0	112.5	T341 V342 W343 Y353 G358	T341-Q345 PolarHBondContact O-N 3.3Å; T341-Q345 VanDerWaalsContact O-N 3.15Å; V342-Q345 WeakPolarHBondContact O-CB 3.32Å; V342-Q345 PolarHBondContact O-N 3.47Å; V342-Q345 VanDerWaalsContact O-N 3.12Å; W343-Q345 PolarHBondContact O-N 2.83Å; Q345-Y353 PolarHBondContact OE1-OH 2.97Å; Q345-G358 PolarHBondContact NE2-O 3.25Å; Q345-G358 VanDerWaalsContact NE2-O 3.16Å
346	F	97.7	Very high	97.6	Very high	18 Å²	18	32 Å²	32	8%	0.079	17%	0.168	C	C	.	.	H	α-helix	trans	-117	-16.6	-168.4	-64.3	-70.1	0	0	0	115.5	V342 W343 G348 Y353 Y359 T360 L416 H419	V342-F346 HydrophobicContact CG1-CD2 4.02Å; V342-F346 HydrophobicContact CG1-CE2 4.29Å; V342-F346 WeakPolarHBondContact O-CD2 3.08Å; V342-F346 PolarHBondContact O-N 2.98Å; W343-F346 PolarHBondContact O-N 2.56Å; F346-G348 VanDerWaalsContact C-N 3.33Å; F346-Y353 HydrophobicContact CE2-CD2 4.12Å; F346-Y353 AromaticContact CE2-CE2 3.9Å; F346-Y353 HydrophobicContact CE2-CE2 3.9Å; F346-Y359 HydrophobicContact CE1-CD2 4.44Å; F346-Y359 HydrophobicContact CE1-CE2 4.11Å; F346-Y359 HydrophobicContact CZ-CD2 4.04Å; F346-Y359 HydrophobicContact CZ-CE2 4.17Å; F346-T360 HydrophobicContact CD1-CG2 4.43Å; F346-T360 HydrophobicContact CE1-CG2 3.9Å; F346-T360 HydrophobicContact CE2-CG2 4.17Å; F346-T360 HydrophobicContact CZ-CG2 3.75Å; F346-L416 HydrophobicContact CB-CB 4.14Å; F346-L416 HydrophobicContact CB-CD1 4.11Å; F346-L416 HydrophobicContact CB-CD2 4.37Å; F346-L416 HydrophobicContact CB-CG 4.47Å; F346-L416 HydrophobicContact CD1-CB 4.39Å; F346-L416 HydrophobicContact CG-CB 4.45Å; F346-H419 PolarHBondContact O-NE2 3.05Å; F346-H419 VanDerWaalsContact O-NE2 3.08Å
347	G	96.7	Very high	97.4	Very high	10 Å²	10	38 Å²	38	10%	0.103	20%	0.196	C	C	.	.	S	Bend	trans	79.9	13.5	-169.6	0	0	0	0	0	114	W343 S399 I403	W343-G347 WeakPolarHBondContact O-CA 3.39Å; W343-G347 PolarHBondContact O-N 3.39Å; G347-S399 WeakPolarHBondContact O-CB 3.16Å; G347-I403 WeakPolarHBondContact O-CD1 3.37Å
348	G	97.3	Very high	97.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-178.9	170.7	179.9	0	0	0	0	0	109.9	F346	F346-G348 VanDerWaalsContact C-N 3.33Å
349	L	98.1	Very high	97.4	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.016	20%	0.198	C	C	.	.			trans	-95.4	122.9	174.4	-61.4	-175.8	0	0	0	110.1	F312 A317 Y339 V342 W343 Y367 L373	F312-L349 HydrophobicContact CE1-CD1 4.17Å; F312-L349 HydrophobicContact CE1-CD2 4.18Å; F312-L349 HydrophobicContact CZ-CD1 3.89Å; A317-L349 HydrophobicContact CB-CD1 3.75Å; Y339-L349 WeakPolarHBondContact O-CD2 3.1Å; V342-L349 HydrophobicContact CB-CD2 3.91Å; V342-L349 HydrophobicContact CG1-CD2 4.01Å; W343-L349 HydrophobicContact CB-CD2 4.19Å; W343-L349 HydrophobicContact CE3-CD2 4.32Å; W343-L349 HydrophobicContact CE3-CG 3.96Å; W343-L349 HydrophobicContact CZ3-CG 4.48Å; L349-Y367 VanDerWaalsContact O-CD2 3.29Å; L349-Y367 WeakPolarHBondContact O-CD2 3.02Å; L349-L373 HydrophobicContact CD1-CB 3.86Å; L349-L373 HydrophobicContact CD1-CD2 4.05Å; L349-L373 HydrophobicContact CD1-CG 4.45Å; L349-L373 HydrophobicContact CD2-CD2 4.18Å; L349-L373 HydrophobicContact CG-CD2 4.26Å
350	P	97.8	Very high	97.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.202	C	C	.	.			trans	-65	149.8	172.4	30.1	-35.5	0	0	0	109.5	S314 V342 F352 Y353 T360 G366 L416	S314-P350 WeakPolarHBondContact CB-O 3.2Å; V342-P350 HydrophobicContact CG1-CG 4.24Å; P350-F352 PolarHBondContact O-N 3.13Å; P350-Y353 HydrophobicContact CG-CD2 4.29Å; P350-T360 HydrophobicContact CB-CG2 3.8Å; P350-T360 HydrophobicContact CG-CG2 4.05Å; P350-G366 CarbonylContact C-O 3.57Å; P350-G366 WeakPolarHBondContact CA-O 3.22Å; P350-L416 HydrophobicContact CB-CD1 3.88Å; P350-L416 HydrophobicContact CG-CD1 4.45Å
351	E	96.6	Very high	97.1	Very high	28 Å²	28	40.4 Å²	40.4	13%	0.131	21%	0.21	C	C	.	.	S	Bend	trans	-46.8	-47.6	171.8	-81.5	-68.2	153.3	0	0	110.9	Q313 S314 R364 G366 R370	Q313-E351 VanDerWaalsContact CA-O 3.24Å; Q313-E351 WeakPolarHBondContact CA-O 3.5Å; S314-E351 PolarHBondContact N-O 3.11Å; E351-R364 HydrophobicContact CB-CB 4.27Å; E351-R364 WeakPolarHBondContact CB-O 3.32Å; E351-R364 PolarHBondContact N-O 3.46Å; E351-G366 PolarHBondContact N-O 2.89Å; E351-R370 IonicContact OE1-CZ 2.65Å; E351-R370 VanDerWaalsContact OE1-CZ 3.24Å; E351-R370 IonicContact OE1-NE 3.39Å; E351-R370 PolarHBondContact OE1-NE 3.2Å; E351-R370 IonicContact OE1-NH2 3.42Å; E351-R370 PolarHBondContact OE1-NH2 3.43Å; E351-R370 IonicContact OE2-NH2 3.11Å
352	F	97.3	Very high	96.9	Very high	14 Å²	14	43.8 Å²	43.8	6%	0.061	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	126	174.5	-75.3	46.3	0	0	0	111	V311 Q313 P350 V361 R364	V311-F352 HydrophobicContact CB-CD2 4.41Å; V311-F352 HydrophobicContact CG2-CD2 4.08Å; V311-F352 HydrophobicContact CG2-CE2 4.29Å; Q313-F352 HydrophobicContact CG-CD1 4.32Å; Q313-F352 HydrophobicContact CG-CE1 4.01Å; Q313-F352 HydrophobicContact CG-CE2 4.49Å; Q313-F352 HydrophobicContact CG-CZ 4.11Å; P350-F352 PolarHBondContact O-N 3.13Å; F352-V361 HydrophobicContact CB-CB 3.76Å; F352-V361 HydrophobicContact CB-CG2 3.75Å; F352-V361 PolarHBondContact O-N 2.82Å; F352-R364 HydrophobicContact CB-CB 3.65Å; F352-R364 HydrophobicContact CB-CG 4.33Å; F352-R364 HydrophobicContact CD1-CB 3.97Å; F352-R364 HydrophobicContact CD1-CG 4.11Å; F352-R364 VanDerWaalsContact CE1-NE 3.27Å; F352-R364 HydrophobicContact CG-CB 3.9Å; F352-R364 HydrophobicContact CG-CG 4.11Å; F352-R364 VanDerWaalsContact CZ-NH2 3.32Å; F352-R364 PolarHBondContact N-O 3.15Å
353	Y	97.8	Very high	96.8	Very high	19 Å²	19	52 Å²	52	8%	0.075	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125.3	171.4	-176.8	-106.5	0	0	0	110	W296 V311 F312 V342 Q345 F346 P350 I355 G358 Y359	W296-Y353 HydrophobicContact CH2-CD1 4.3Å; W296-Y353 HydrophobicContact CH2-CE1 4.22Å; V311-Y353 CarbonylContact C-O 3.51Å; V311-Y353 VanDerWaalsContact CA-O 3.28Å; V311-Y353 WeakPolarHBondContact CA-O 3.43Å; F312-Y353 PolarHBondContact N-O 2.79Å; F312-Y353 PolarHBondContact O-N 2.91Å; V342-Y353 HydrophobicContact CG1-CD2 3.87Å; V342-Y353 HydrophobicContact CG1-CE2 4.17Å; V342-Y353 HydrophobicContact CG1-CG 4.15Å; V342-Y353 HydrophobicContact CG2-CD1 3.96Å; V342-Y353 HydrophobicContact CG2-CD2 4.37Å; V342-Y353 HydrophobicContact CG2-CE1 3.84Å; V342-Y353 HydrophobicContact CG2-CE2 4.28Å; V342-Y353 HydrophobicContact CG2-CG 4.2Å; Q345-Y353 PolarHBondContact OE1-OH 2.97Å; F346-Y353 HydrophobicContact CE2-CD2 4.12Å; F346-Y353 AromaticContact CE2-CE2 3.9Å; F346-Y353 HydrophobicContact CE2-CE2 3.9Å; P350-Y353 HydrophobicContact CG-CD2 4.29Å; Y353-I355 HydrophobicContact CD1-CG1 4.1Å; Y353-I355 HydrophobicContact CE1-CG1 4.48Å; Y353-I355 PolarHBondContact O-N 3.34Å; Y353-G358 VanDerWaalsContact CE2-C 3.4Å; Y353-G358 VanDerWaalsContact CZ-C 3.48Å; Y353-G358 VanDerWaalsContact OH-C 3.28Å; Y353-G358 WeakPolarHBondContact OH-CA 3.42Å; Y353-G358 PolarHBondContact OH-O 3.48Å; Y353-Y359 VanDerWaalsContact CE2-N 3.35Å
354	N	97.1	Very high	96.7	Very high	31 Å²	31	57.4 Å²	57.4	17%	0.166	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	110.3	177.7	-163.2	-23.1	0	0	0	110.1	P356 Q357 G358 Y359 V361	N354-P356 WeakPolarHBondContact OD1-CD 3.38Å; N354-Q357 HydrophobicContact CB-CB 4.16Å; N354-Q357 VanDerWaalsContact CG-CD 3.43Å; N354-Q357 VanDerWaalsContact ND2-CD 3.27Å; N354-Q357 PolarHBondContact ND2-NE2 3.41Å; N354-Q357 PolarHBondContact ND2-OE1 3.24Å; N354-Q357 PolarHBondContact O-N 2.94Å; N354-Q357 PolarHBondContact OD1-OE1 3.33Å; N354-G358 PolarHBondContact O-N 3.35Å; N354-Y359 PolarHBondContact N-O 2.92Å; N354-Y359 PolarHBondContact O-N 3.42Å; N354-V361 HydrophobicContact CB-CG2 3.85Å
355	I	96.3	Very high	96.7	Very high	39 Å²	39	52.7 Å²	52.7	20%	0.2	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-49.7	-167.3	-65.3	157.3	0	0	0	111.8	W296 L298 P310 F312 Y353 Q357 G358	W296-I355 HydrophobicContact CB-CD1 3.84Å; W296-I355 HydrophobicContact CD2-CD1 3.62Å; W296-I355 HydrophobicContact CD2-CG1 3.9Å; W296-I355 HydrophobicContact CD2-CG2 4.27Å; W296-I355 HydrophobicContact CE3-CD1 3.58Å; W296-I355 HydrophobicContact CE3-CG1 3.86Å; W296-I355 HydrophobicContact CG-CD1 3.75Å; W296-I355 HydrophobicContact CG-CG1 4.38Å; W296-I355 HydrophobicContact CG-CG2 4.28Å; W296-I355 HydrophobicContact CZ3-CD1 4.36Å; W296-I355 HydrophobicContact CZ3-CG1 4.21Å; L298-I355 HydrophobicContact CD2-CD1 3.26Å; P310-I355 PolarHBondContact O-N 2.96Å; F312-I355 HydrophobicContact CB-CD1 4.03Å; F312-I355 HydrophobicContact CB-CG1 4.17Å; Y353-I355 HydrophobicContact CD1-CG1 4.1Å; Y353-I355 HydrophobicContact CE1-CG1 4.48Å; Y353-I355 PolarHBondContact O-N 3.34Å; I355-Q357 VanDerWaalsContact C-N 3.27Å; I355-Q357 PolarHBondContact O-N 3.47Å; I355-G358 PolarHBondContact O-N 2.87Å
356	P	95.9	Very high	96.7	Very high	96 Å²	96	49 Å²	49	62%	0.623	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-33	176.6	-22.8	29.2	0	0	0	114.5	P310 N354	P310-P356 HydrophobicContact CB-CG 4Å; P310-P356 HydrophobicContact CG-CG 3.99Å; P310-P356 WeakPolarHBondContact O-CD 3.21Å; N354-P356 WeakPolarHBondContact OD1-CD 3.38Å
357	Q	96	Very high	96.7	Very high	126 Å²	126	48.2 Å²	48.2	59%	0.589	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-20.7	-179.1	-77.7	80.3	-22.8	0	0	112.4	N354 I355 Y359	N354-Q357 HydrophobicContact CB-CB 4.16Å; N354-Q357 VanDerWaalsContact CG-CD 3.43Å; N354-Q357 VanDerWaalsContact ND2-CD 3.27Å; N354-Q357 PolarHBondContact ND2-NE2 3.41Å; N354-Q357 PolarHBondContact ND2-OE1 3.24Å; N354-Q357 PolarHBondContact O-N 2.94Å; N354-Q357 PolarHBondContact OD1-OE1 3.33Å; I355-Q357 VanDerWaalsContact C-N 3.27Å; I355-Q357 PolarHBondContact O-N 3.47Å; Q357-Y359 VanDerWaalsContact C-N 3.31Å; Q357-Y359 PolarHBondContact O-N 3.48Å
358	G	96.6	Very high	96.7	Very high	23 Å²	23	48.3 Å²	48.3	24%	0.237	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	33.9	-175	0	0	0	0	0	113.5	Q345 Y353 N354 I355	Q345-G358 PolarHBondContact NE2-O 3.25Å; Q345-G358 VanDerWaalsContact NE2-O 3.16Å; Y353-G358 VanDerWaalsContact CE2-C 3.4Å; Y353-G358 VanDerWaalsContact CZ-C 3.48Å; Y353-G358 VanDerWaalsContact OH-C 3.28Å; Y353-G358 WeakPolarHBondContact OH-CA 3.42Å; Y353-G358 PolarHBondContact OH-O 3.48Å; N354-G358 PolarHBondContact O-N 3.35Å; I355-G358 PolarHBondContact O-N 2.87Å
359	Y	97.3	Very high	96.8	Very high	107 Å²	107	48.3 Å²	48.3	42%	0.42	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	168.1	-170.4	-149.4	-111	0	0	0	113.7	F346 Y353 N354 Q357 R417	F346-Y359 HydrophobicContact CE1-CD2 4.44Å; F346-Y359 HydrophobicContact CE1-CE2 4.11Å; F346-Y359 HydrophobicContact CZ-CD2 4.04Å; F346-Y359 HydrophobicContact CZ-CE2 4.17Å; Y353-Y359 VanDerWaalsContact CE2-N 3.35Å; N354-Y359 PolarHBondContact N-O 2.92Å; N354-Y359 PolarHBondContact O-N 3.42Å; Q357-Y359 VanDerWaalsContact C-N 3.31Å; Q357-Y359 PolarHBondContact O-N 3.48Å; Y359-R417 HydrophobicContact CE1-CG 4.24Å; Y359-R417 WeakPolarHBondContact OH-CD 3.36Å
360	T	95.6	Very high	96.7	Very high	12 Å²	12	50.5 Å²	50.5	7%	0.074	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	153.4	178.1	67.3	0	0	0	0	112.3	F346 P350 E365 R417	F346-T360 HydrophobicContact CD1-CG2 4.43Å; F346-T360 HydrophobicContact CE1-CG2 3.9Å; F346-T360 HydrophobicContact CE2-CG2 4.17Å; F346-T360 HydrophobicContact CZ-CG2 3.75Å; P350-T360 HydrophobicContact CB-CG2 3.8Å; P350-T360 HydrophobicContact CG-CG2 4.05Å; T360-E365 HydrophobicContact CG2-CB 4.47Å; T360-E365 HydrophobicContact CG2-CG 4.46Å; T360-E365 VanDerWaalsContact OG1-CG 3.24Å; T360-E365 WeakPolarHBondContact OG1-CG 3.41Å; T360-R417 HydrophobicContact CG2-CG 4.4Å
361	V	95.9	Very high	96.8	Very high	38 Å²	38	50.6 Å²	50.6	23%	0.23	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-89.9	138.3	173.4	177.5	0	0	0	0	110.4	V311 F352 N354 K363 R364 E365	V311-V361 HydrophobicContact CG1-CG2 4.26Å; F352-V361 HydrophobicContact CB-CB 3.76Å; F352-V361 HydrophobicContact CB-CG2 3.75Å; F352-V361 PolarHBondContact O-N 2.82Å; N354-V361 HydrophobicContact CB-CG2 3.85Å; V361-K363 PolarHBondContact O-N 2.75Å; V361-R364 HydrophobicContact CB-CB 4.26Å; V361-R364 HydrophobicContact CG1-CB 4.49Å; V361-R364 HydrophobicContact CG1-CG 4.49Å; V361-R364 CarbonylContact O-C 3.58Å; V361-R364 PolarHBondContact O-N 3.32Å; V361-E365 VanDerWaalsContact O-CD 3.26Å; V361-E365 WeakPolarHBondContact O-CG 3.36Å
362	E	93.9	Very high	96.9	Very high	147 Å²	147	50.2 Å²	50.2	69%	0.687	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	131.4	179.8	-159.2	-166.9	151.7	0	0	111.9	R364 E365	E362-R364 PolarHBondContact O-N 2.84Å; E362-E365 VanDerWaalsContact CA-OE1 3.28Å; E362-E365 WeakPolarHBondContact CA-OE1 3.35Å
363	K	94.8	Very high	96.9	Very high	174 Å²	174	49.6 Å²	49.6	76%	0.757	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.4	12	-176.2	-49.8	175.1	-176.5	171.7	0	115	V361 E365	V361-K363 PolarHBondContact O-N 2.75Å; K363-E365 VanDerWaalsContact C-OE2 3.23Å; K363-E365 WeakPolarHBondContact CA-OE2 3.31Å; K363-E365 PolarHBondContact N-OE1 2.71Å; K363-E365 VanDerWaalsContact N-OE1 3.13Å; K363-E365 PolarHBondContact N-OE2 2.86Å
364	R	96.6	Very high	97	Very high	115 Å²	115	48.8 Å²	48.8	43%	0.434	24%	0.239	S	C	.	.			trans	-136.7	32.5	178.4	-56.3	-68	-100.1	-175.6	-5.7	110.7	E351 F352 V361 E362	E351-R364 HydrophobicContact CB-CB 4.27Å; E351-R364 WeakPolarHBondContact CB-O 3.32Å; E351-R364 PolarHBondContact N-O 3.46Å; F352-R364 HydrophobicContact CB-CB 3.65Å; F352-R364 HydrophobicContact CB-CG 4.33Å; F352-R364 HydrophobicContact CD1-CB 3.97Å; F352-R364 HydrophobicContact CD1-CG 4.11Å; F352-R364 VanDerWaalsContact CE1-NE 3.27Å; F352-R364 HydrophobicContact CG-CB 3.9Å; F352-R364 HydrophobicContact CG-CG 4.11Å; F352-R364 VanDerWaalsContact CZ-NH2 3.32Å; F352-R364 PolarHBondContact N-O 3.15Å; V361-R364 HydrophobicContact CB-CB 4.26Å; V361-R364 HydrophobicContact CG1-CB 4.49Å; V361-R364 HydrophobicContact CG1-CG 4.49Å; V361-R364 CarbonylContact O-C 3.58Å; V361-R364 PolarHBondContact O-N 3.32Å; E362-R364 PolarHBondContact O-N 2.84Å
365	E	97.1	Very high	97.1	Very high	14 Å²	14	47.7 Å²	47.7	7%	0.065	23%	0.233	C	C	.	.			trans	-89.6	-6.6	-178	-52.5	93.5	150.3	0	0	113.9	T360 V361 E362 K363 D415 L416 R417	T360-E365 HydrophobicContact CG2-CB 4.47Å; T360-E365 HydrophobicContact CG2-CG 4.46Å; T360-E365 VanDerWaalsContact OG1-CG 3.24Å; T360-E365 WeakPolarHBondContact OG1-CG 3.41Å; V361-E365 VanDerWaalsContact O-CD 3.26Å; V361-E365 WeakPolarHBondContact O-CG 3.36Å; E362-E365 VanDerWaalsContact CA-OE1 3.28Å; E362-E365 WeakPolarHBondContact CA-OE1 3.35Å; K363-E365 VanDerWaalsContact C-OE2 3.23Å; K363-E365 WeakPolarHBondContact CA-OE2 3.31Å; K363-E365 PolarHBondContact N-OE1 2.71Å; K363-E365 VanDerWaalsContact N-OE1 3.13Å; K363-E365 PolarHBondContact N-OE2 2.86Å; E365-D415 HydrophobicContact CB-CB 4.43Å; E365-L416 WeakPolarHBondContact O-CB 3.22Å; E365-L416 WeakPolarHBondContact O-CG 3.45Å; E365-L416 PolarHBondContact O-N 2.75Å; E365-L416 VanDerWaalsContact O-N 3.1Å; E365-R417 IonicContact OE1-CZ 3.65Å; E365-R417 IonicContact OE1-NH1 3.47Å; E365-R417 PolarHBondContact OE1-NH1 3.32Å; E365-R417 VanDerWaalsContact OE1-NH1 3.17Å; E365-R417 IonicContact OE1-NH2 3.51Å; E365-R417 PolarHBondContact OE1-NH2 3.44Å
366	G	97.5	Very high	97.2	Very high	14 Å²	14	45.9 Å²	45.9	14%	0.144	22%	0.224	C	C	.	.			trans	-70.7	159.8	-174.5	0	0	0	0	0	113.9	P350 E351 I413 K414	P350-G366 CarbonylContact C-O 3.57Å; P350-G366 WeakPolarHBondContact CA-O 3.22Å; E351-G366 PolarHBondContact N-O 2.89Å; G366-I413 CarbonylContact C-O 3.56Å; G366-I413 WeakPolarHBondContact CA-O 3.49Å; G366-K414 VanDerWaalsContact CA-O 3.26Å; G366-K414 WeakPolarHBondContact CA-O 3.22Å; G366-K414 PolarHBondContact N-O 3.19Å
367	Y	98.2	Very high	97.3	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.008	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-137.2	102.9	170.3	173.1	-116.7	0	0	0	109.1	W343 L349 L369 R370 I400 I413	W343-Y367 HydrophobicContact CH2-CE1 4.15Å; W343-Y367 HydrophobicContact CH2-CE2 4.49Å; W343-Y367 AromaticContact CH2-CZ 3.74Å; W343-Y367 WeakPolarHBondContact CH2-OH 3.38Å; W343-Y367 HydrophobicContact CZ3-CE2 4.25Å; W343-Y367 AromaticContact CZ3-CZ 3.94Å; L349-Y367 VanDerWaalsContact O-CD2 3.29Å; L349-Y367 WeakPolarHBondContact O-CD2 3.02Å; Y367-L369 HydrophobicContact CD1-CD2 4.33Å; Y367-L369 HydrophobicContact CE1-CD2 4.07Å; Y367-L369 VanDerWaalsContact CZ-CA 3.49Å; Y367-L369 PolarHBondContact O-N 2.96Å; Y367-L369 VanDerWaalsContact O-N 3.09Å; Y367-R370 HydrophobicContact CE2-CB 4.05Å; Y367-R370 VanDerWaalsContact CE2-N 3.25Å; Y367-R370 PolarHBondContact OH-N 3.02Å; Y367-R370 PolarHBondContact OH-O 3.07Å; Y367-I400 HydrophobicContact CE1-CG1 4.43Å; Y367-I413 HydrophobicContact CD1-CD1 3.8Å; Y367-I413 HydrophobicContact CD1-CG1 4.46Å; Y367-I413 PolarHBondContact N-O 3.34Å; Y367-I413 PolarHBondContact O-N 3.09Å
368	P	97.4	Very high	97.5	Very high	13 Å²	13	35.4 Å²	35.4	8%	0.084	17%	0.167	C	C	.	.			trans	-84.8	36	-178	34.9	-35.2	0	0	0	112.9	R370 T412 F428	P368-R370 VanDerWaalsContact C-N 3.34Å; P368-R370 HydrophobicContact CG-CG 3.63Å; P368-R370 PolarHBondContact O-N 3.27Å; P368-T412 WeakPolarHBondContact CA-OG1 3.41Å; P368-T412 HydrophobicContact CB-CG2 3.92Å; P368-F428 HydrophobicContact CB-CZ 4.36Å; P368-F428 HydrophobicContact CG-CZ 4.47Å; P368-F428 WeakPolarHBondContact O-CE2 3.47Å; P368-F428 WeakPolarHBondContact O-CZ 3.41Å
369	L	98.2	Very high	97.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	16%	0.161	C	C	.	.			trans	65.6	32.1	178.2	-46.7	175.7	0	0	0	114.5	Y367 I400 S404 F410 F429 T433	Y367-L369 HydrophobicContact CD1-CD2 4.33Å; Y367-L369 HydrophobicContact CE1-CD2 4.07Å; Y367-L369 VanDerWaalsContact CZ-CA 3.49Å; Y367-L369 PolarHBondContact O-N 2.96Å; Y367-L369 VanDerWaalsContact O-N 3.09Å; L369-I400 HydrophobicContact CD2-CG2 4.49Å; L369-S404 WeakPolarHBondContact CD2-OG 3.29Å; L369-F410 HydrophobicContact CD1-CB 3.75Å; L369-F429 HydrophobicContact CB-CB 4.34Å; L369-F429 HydrophobicContact CB-CD2 3.63Å; L369-F429 HydrophobicContact CB-CE2 4.29Å; L369-F429 HydrophobicContact CB-CG 4.23Å; L369-F429 HydrophobicContact CD1-CB 4.38Å; L369-F429 HydrophobicContact CD1-CD1 4.43Å; L369-F429 HydrophobicContact CD1-CD2 3.91Å; L369-F429 HydrophobicContact CD1-CE2 4.3Å; L369-F429 HydrophobicContact CD1-CG 3.97Å; L369-F429 HydrophobicContact CG-CD2 4.33Å; L369-T433 PolarHBondContact O-OG1 3.02Å
370	R	97.9	Very high	97.6	Very high	49 Å²	49	30.6 Å²	30.6	19%	0.185	14%	0.141	C	C	.	.			trans	-65	151.1	-174.1	-56.6	-170.3	172.1	-77	-4.2	114.8	S314 E351 Y367 P368 E372 F428	S314-R370 WeakPolarHBondContact OG-CD 3.4Å; E351-R370 IonicContact OE1-CZ 2.65Å; E351-R370 VanDerWaalsContact OE1-CZ 3.24Å; E351-R370 IonicContact OE1-NE 3.39Å; E351-R370 PolarHBondContact OE1-NE 3.2Å; E351-R370 IonicContact OE1-NH2 3.42Å; E351-R370 PolarHBondContact OE1-NH2 3.43Å; E351-R370 IonicContact OE2-NH2 3.11Å; Y367-R370 HydrophobicContact CE2-CB 4.05Å; Y367-R370 VanDerWaalsContact CE2-N 3.25Å; Y367-R370 PolarHBondContact OH-N 3.02Å; Y367-R370 PolarHBondContact OH-O 3.07Å; P368-R370 VanDerWaalsContact C-N 3.34Å; P368-R370 HydrophobicContact CG-CG 3.63Å; P368-R370 PolarHBondContact O-N 3.27Å; R370-E372 WeakPolarHBondContact CB-OE2 3.46Å; R370-E372 IonicContact NH1-OE1 3.88Å; R370-F428 HydrophobicContact CG-CE2 4.44Å; R370-F428 HydrophobicContact CG-CZ 4.5Å
371	P	98.4	Very high	97.7	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	15%	0.147	C	C	.	.			trans	-92.8	-15.5	-172.4	36.1	-40.3	0	0	0	116.1	L373 I374 E375 E432 T433 Y436	P371-L373 VanDerWaalsContact C-N 3.34Å; P371-L373 PolarHBondContact O-N 3.32Å; P371-L373 VanDerWaalsContact O-N 3.15Å; P371-I374 CarbonylContact O-C 3.51Å; P371-I374 WeakPolarHBondContact O-CA 3.18Å; P371-I374 WeakPolarHBondContact O-CB 3.38Å; P371-I374 PolarHBondContact O-N 2.8Å; P371-E375 PolarHBondContact O-N 3.46Å; P371-E432 HydrophobicContact CB-CB 3.47Å; P371-E432 VanDerWaalsContact CB-CB 3.47Å; P371-E432 HydrophobicContact CG-CB 3.6Å; P371-E432 HydrophobicContact CG-CG 4.27Å; P371-E432 WeakPolarHBondContact CG-OE1 3.43Å; P371-T433 VanDerWaalsContact CA-OG1 3.3Å; P371-T433 WeakPolarHBondContact CA-OG1 3.43Å; P371-T433 WeakPolarHBondContact CB-OG1 3.49Å; P371-Y436 HydrophobicContact CB-CD2 4.17Å; P371-Y436 HydrophobicContact CB-CE2 4.49Å
372	E	98.8	Very high	97.7	Very high	20 Å²	20	35.7 Å²	35.7	9%	0.093	16%	0.155	C	C	.	.	H	α-helix	trans	-65.7	-35.8	-151.8	-54.8	78.3	-166.2	0	0	113	L315 A317 R370 I374 E375 S376	L315-E372 HydrophobicContact CD2-CG 4.42Å; L315-E372 VanDerWaalsContact CD2-OE1 3.32Å; L315-E372 WeakPolarHBondContact CD2-OE1 3.35Å; A317-E372 CarbonylContact C-O 3.56Å; A317-E372 HydrophobicContact CB-CB 4.03Å; A317-E372 CarbonylContact O-C 3.45Å; R370-E372 WeakPolarHBondContact CB-OE2 3.46Å; R370-E372 IonicContact NH1-OE1 3.88Å; E372-I374 VanDerWaalsContact C-N 3.33Å; E372-I374 PolarHBondContact O-N 2.63Å; E372-E375 PolarHBondContact O-N 3.31Å; E372-S376 PolarHBondContact O-N 3.01Å; E372-S376 PolarHBondContact O-OG 3.31Å
373	L	98.7	Very high	97.7	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-67.5	-35.4	174.7	-172.5	61.4	0	0	0	112.3	A317 F336 Y339 W343 L349 P371 A377 L392	A317-L373 HydrophobicContact CB-CB 3.84Å; A317-L373 HydrophobicContact CB-CD1 4.22Å; F336-L373 HydrophobicContact CD2-CD1 3.72Å; F336-L373 HydrophobicContact CE2-CD1 3.64Å; F336-L373 HydrophobicContact CE2-CG 4.24Å; F336-L373 HydrophobicContact CZ-CD1 4.43Å; Y339-L373 HydrophobicContact CD2-CD1 4.49Å; W343-L373 HydrophobicContact CB-CD2 4.09Å; W343-L373 HydrophobicContact CD2-CD2 4.35Å; W343-L373 HydrophobicContact CE3-CD2 3.78Å; L349-L373 HydrophobicContact CD1-CB 3.86Å; L349-L373 HydrophobicContact CD1-CD2 4.05Å; L349-L373 HydrophobicContact CD1-CG 4.45Å; L349-L373 HydrophobicContact CD2-CD2 4.18Å; L349-L373 HydrophobicContact CG-CD2 4.26Å; P371-L373 VanDerWaalsContact C-N 3.34Å; P371-L373 PolarHBondContact O-N 3.32Å; P371-L373 VanDerWaalsContact O-N 3.15Å; L373-A377 PolarHBondContact O-N 3.08Å; L373-L392 HydrophobicContact CD2-CD1 3.58Å; L373-L392 HydrophobicContact CD2-CD2 4.23Å; L373-L392 HydrophobicContact CG-CD1 4.11Å; L373-L392 HydrophobicContact CG-CD2 3.81Å
374	I	98.8	Very high	97.8	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-73.2	-39.9	179.1	-65.2	162.4	0	0	0	109.8	W343 P371 E372 S376 A377 M378 A396 T433 L437	W343-I374 HydrophobicContact CH2-CD1 4.49Å; P371-I374 CarbonylContact O-C 3.51Å; P371-I374 WeakPolarHBondContact O-CA 3.18Å; P371-I374 WeakPolarHBondContact O-CB 3.38Å; P371-I374 PolarHBondContact O-N 2.8Å; E372-I374 VanDerWaalsContact C-N 3.33Å; E372-I374 PolarHBondContact O-N 2.63Å; I374-S376 VanDerWaalsContact C-N 3.35Å; I374-S376 PolarHBondContact O-N 2.86Å; I374-A377 PolarHBondContact O-N 3.45Å; I374-M378 PolarHBondContact O-N 2.7Å; I374-A396 HydrophobicContact CD1-CB 4.07Å; I374-A396 HydrophobicContact CG1-CB 4.23Å; I374-T433 HydrophobicContact CD1-CG2 3.76Å; I374-L437 HydrophobicContact CD1-CD1 4.21Å; I374-L437 HydrophobicContact CD1-CD2 4.23Å; I374-L437 HydrophobicContact CD1-CG 4.08Å; I374-L437 HydrophobicContact CG1-CD2 4.29Å; I374-L437 HydrophobicContact CG2-CB 4.37Å; I374-L437 HydrophobicContact CG2-CD2 3.76Å; I374-L437 HydrophobicContact CG2-CG 3.63Å
375	E	98.8	Very high	97.8	Very high	9 Å²	9	21.8 Å²	21.8	4%	0.042	12%	0.12	C	C	.	.	H	α-helix	trans	-53.9	-53.6	170.4	178.9	-174.2	-171.3	0	0	110	K266 P371 E372 A377 M378 Y379 Y436	K266-E375 IonicContact NZ-OE1 3.68Å; K266-E375 PolarHBondContact NZ-OE1 3.17Å; P371-E375 PolarHBondContact O-N 3.46Å; E372-E375 PolarHBondContact O-N 3.31Å; E375-A377 VanDerWaalsContact C-N 3.26Å; E375-A377 PolarHBondContact O-N 3.37Å; E375-M378 WeakPolarHBondContact O-CB 3.3Å; E375-M378 PolarHBondContact O-N 3.49Å; E375-M378 VanDerWaalsContact O-N 3.12Å; E375-Y379 HydrophobicContact CG-CD2 3.75Å; E375-Y379 HydrophobicContact CG-CE2 3.66Å; E375-Y379 WeakPolarHBondContact O-CD2 3.41Å; E375-Y379 PolarHBondContact O-N 2.89Å; E375-Y379 WeakPolarHBondContact OE1-CE2 3.45Å; E375-Y436 HydrophobicContact CB-CD2 3.72Å; E375-Y436 HydrophobicContact CB-CE1 4.48Å; E375-Y436 HydrophobicContact CB-CE2 3.64Å; E375-Y436 HydrophobicContact CB-CG 4.17Å; E375-Y436 HydrophobicContact CG-CD1 4.47Å; E375-Y436 HydrophobicContact CG-CD2 4.26Å; E375-Y436 HydrophobicContact CG-CE1 4.03Å; E375-Y436 HydrophobicContact CG-CE2 3.78Å
376	S	98.8	Very high	97.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-56.3	-40.5	177.8	-79.7	0	0	0	0	112.8	A317 Y318 G321 E372 I374 L380	A317-S376 WeakPolarHBondContact O-CB 3.21Å; A317-S376 PolarHBondContact O-OG 2.81Å; Y318-S376 PolarHBondContact O-OG 3.26Å; G321-S376 PolarHBondContact N-OG 3.44Å; E372-S376 PolarHBondContact O-N 3.01Å; E372-S376 PolarHBondContact O-OG 3.31Å; I374-S376 VanDerWaalsContact C-N 3.35Å; I374-S376 PolarHBondContact O-N 2.86Å; S376-L380 VanDerWaalsContact O-CB 3.27Å; S376-L380 WeakPolarHBondContact O-CB 3.26Å; S376-L380 VanDerWaalsContact O-CG 3.27Å; S376-L380 WeakPolarHBondContact O-CG 3.37Å; S376-L380 PolarHBondContact O-N 2.82Å
377	A	98.8	Very high	97.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.3	-41.9	177.6	0	0	0	0	0	112.7	F336 L373 I374 E375 Y381 L389 L392 L440	F336-A377 HydrophobicContact CE2-CB 3.72Å; F336-A377 HydrophobicContact CZ-CB 3.79Å; L373-A377 PolarHBondContact O-N 3.08Å; I374-A377 PolarHBondContact O-N 3.45Å; E375-A377 VanDerWaalsContact C-N 3.26Å; E375-A377 PolarHBondContact O-N 3.37Å; A377-Y381 WeakPolarHBondContact O-CB 3.31Å; A377-Y381 PolarHBondContact O-N 2.85Å; A377-L389 HydrophobicContact CB-CD2 4.46Å; A377-L392 HydrophobicContact CB-CD2 3.47Å; A377-L392 VanDerWaalsContact CB-CD2 3.47Å; A377-L440 HydrophobicContact CB-CD2 4.37Å
378	M	98.5	Very high	97.3	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.015	15%	0.147	C	C	.	.	H	α-helix	trans	-59.7	-51.4	176.6	-175	-75.2	-67.6	0	0	110.8	I374 E375 Y381 R382 Y436 L439 L440	I374-M378 PolarHBondContact O-N 2.7Å; E375-M378 WeakPolarHBondContact O-CB 3.3Å; E375-M378 PolarHBondContact O-N 3.49Å; E375-M378 VanDerWaalsContact O-N 3.12Å; M378-Y381 PolarHBondContact O-N 3.15Å; M378-R382 WeakPolarHBondContact O-CG 3.33Å; M378-R382 PolarHBondContact O-N 3.24Å; M378-R382 HydrophobicContact SD-CG 3.93Å; M378-Y436 HydrophobicContact CE-CD1 3.73Å; M378-Y436 HydrophobicContact CE-CE1 3.86Å; M378-L439 HydrophobicContact CG-CB 4.04Å; M378-L440 HydrophobicContact CB-CB 4.31Å; M378-L440 HydrophobicContact CG-CB 4.43Å
379	Y	98.4	Very high	97.4	Very high	29 Å²	29	26 Å²	26	11%	0.114	14%	0.143	C	C	.	.	H	α-helix	trans	-64.2	-44.4	179.1	-81.1	-71.8	0	0	0	113	S324 L325 E375 Y381 R382 A383 F473	S324-Y379 WeakPolarHBondContact OG-CB 3.48Å; L325-Y379 HydrophobicContact CD1-CE1 4.4Å; L325-Y379 HydrophobicContact CD2-CD1 3.73Å; L325-Y379 HydrophobicContact CD2-CE1 3.58Å; L325-Y379 HydrophobicContact CG-CD1 4.3Å; L325-Y379 HydrophobicContact CG-CE1 4.27Å; E375-Y379 HydrophobicContact CG-CD2 3.75Å; E375-Y379 HydrophobicContact CG-CE2 3.66Å; E375-Y379 WeakPolarHBondContact O-CD2 3.41Å; E375-Y379 PolarHBondContact O-N 2.89Å; E375-Y379 WeakPolarHBondContact OE1-CE2 3.45Å; Y379-Y381 VanDerWaalsContact C-N 3.29Å; Y379-Y381 PolarHBondContact O-N 3.43Å; Y379-R382 WeakPolarHBondContact O-CB 3.23Å; Y379-R382 PolarHBondContact O-N 2.83Å; Y379-A383 PolarHBondContact O-N 3.38Å; Y379-F473 WeakPolarHBondContact OH-CD2 3.24Å
380	L	98.4	Very high	97.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.8	-35.2	177.6	-74.3	167.9	0	0	0	111.7	P320 A332 M333 F336 S376 R382 A383 T384 L389	P320-L380 HydrophobicContact CB-CD1 3.96Å; A332-L380 HydrophobicContact CB-CD1 4.5Å; A332-L380 HydrophobicContact CB-CD2 3.69Å; M333-L380 HydrophobicContact CG-CD2 4.33Å; M333-L380 HydrophobicContact SD-CB 4.16Å; M333-L380 HydrophobicContact SD-CD1 3.89Å; M333-L380 HydrophobicContact SD-CD2 3.97Å; M333-L380 HydrophobicContact SD-CG 4.24Å; F336-L380 HydrophobicContact CB-CD1 3.86Å; F336-L380 HydrophobicContact CD2-CD1 3.85Å; F336-L380 HydrophobicContact CG-CD1 3.87Å; S376-L380 VanDerWaalsContact O-CB 3.27Å; S376-L380 WeakPolarHBondContact O-CB 3.26Å; S376-L380 VanDerWaalsContact O-CG 3.27Å; S376-L380 WeakPolarHBondContact O-CG 3.37Å; S376-L380 PolarHBondContact O-N 2.82Å; L380-R382 VanDerWaalsContact C-N 3.32Å; L380-A383 PolarHBondContact O-N 3.41Å; L380-T384 WeakPolarHBondContact O-CB 3.34Å; L380-T384 WeakPolarHBondContact O-CG2 3.48Å; L380-T384 PolarHBondContact O-N 2.72Å; L380-T384 PolarHBondContact O-OG1 2.58Å; L380-L389 HydrophobicContact CB-CD1 3.55Å; L380-L389 HydrophobicContact CB-CD2 4.02Å; L380-L389 HydrophobicContact CB-CG 4.46Å; L380-L389 HydrophobicContact CD1-CD2 4.42Å
381	Y	97.9	Very high	97.3	Very high	52 Å²	52	25 Å²	25	20%	0.204	14%	0.141	C	C	.	.	H	α-helix	trans	-70.2	-38.3	179.9	-177.8	-112.1	0	0	0	109.9	A377 M378 Y379 A383 T384 G385 D386 L389 L390 L440	A377-Y381 WeakPolarHBondContact O-CB 3.31Å; A377-Y381 PolarHBondContact O-N 2.85Å; M378-Y381 PolarHBondContact O-N 3.15Å; Y379-Y381 VanDerWaalsContact C-N 3.29Å; Y379-Y381 PolarHBondContact O-N 3.43Å; Y381-A383 VanDerWaalsContact C-N 3.28Å; Y381-A383 PolarHBondContact O-N 2.98Å; Y381-T384 PolarHBondContact O-N 2.85Å; Y381-G385 WeakPolarHBondContact O-CA 3.45Å; Y381-G385 PolarHBondContact O-N 2.85Å; Y381-D386 WeakPolarHBondContact CD2-O 3.49Å; Y381-L389 HydrophobicContact CD2-CB 4.18Å; Y381-L389 HydrophobicContact CD2-CD1 4.44Å; Y381-L389 HydrophobicContact CG-CB 4.45Å; Y381-L390 HydrophobicContact CD1-CD2 4.27Å; Y381-L390 HydrophobicContact CD2-CD2 4.46Å; Y381-L390 HydrophobicContact CD2-CG 4.2Å; Y381-L390 HydrophobicContact CE1-CD2 3.98Å; Y381-L390 HydrophobicContact CE1-CG 4.43Å; Y381-L390 HydrophobicContact CE2-CD1 3.93Å; Y381-L390 HydrophobicContact CE2-CD2 4.19Å; Y381-L390 HydrophobicContact CE2-CG 3.76Å; Y381-L440 HydrophobicContact CD1-CD1 3.83Å; Y381-L440 HydrophobicContact CG-CD1 3.8Å
382	R	95.2	Very high	97.3	Very high	105 Å²	105	25 Å²	25	40%	0.396	14%	0.14	S	C	.	.	H	α-helix	trans	-60.8	-38.1	172.6	-71.5	-91.2	40.7	153.9	-1.3	112.5	M378 Y379 L380 P443 H448	M378-R382 WeakPolarHBondContact O-CG 3.33Å; M378-R382 PolarHBondContact O-N 3.24Å; M378-R382 HydrophobicContact SD-CG 3.93Å; Y379-R382 WeakPolarHBondContact O-CB 3.23Å; Y379-R382 PolarHBondContact O-N 2.83Å; L380-R382 VanDerWaalsContact C-N 3.32Å; R382-P443 PolarHBondContact NH1-O 3.32Å; R382-H448 VanDerWaalsContact CD-CE1 3.49Å; R382-H448 WeakPolarHBondContact CD-CE1 3.37Å; R382-H448 WeakPolarHBondContact CD-ND1 3.39Å; R382-H448 VanDerWaalsContact NH1-CG 3.29Å
383	A	95.6	Very high	97.2	Very high	42 Å²	42	24 Å²	24	35%	0.347	14%	0.136	S	C	.	.	H	α-helix	trans	-78.7	-33.4	-179.5	0	0	0	0	0	113.6	I329 Y379 L380 Y381	I329-A383 HydrophobicContact CD1-CB 3.66Å; Y379-A383 PolarHBondContact O-N 3.38Å; L380-A383 PolarHBondContact O-N 3.41Å; Y381-A383 VanDerWaalsContact C-N 3.28Å; Y381-A383 PolarHBondContact O-N 2.98Å
384	T	96.6	Very high	97.2	Very high	58 Å²	58	24.6 Å²	24.6	36%	0.356	14%	0.138	S	C	.	.	H	α-helix	trans	-117.6	-30.3	-166.6	64.3	0	0	0	0	115	I329 L380 Y381 D386	I329-T384 HydrophobicContact CG2-CG2 3.52Å; L380-T384 WeakPolarHBondContact O-CB 3.34Å; L380-T384 WeakPolarHBondContact O-CG2 3.48Å; L380-T384 PolarHBondContact O-N 2.72Å; L380-T384 PolarHBondContact O-OG1 2.58Å; Y381-T384 PolarHBondContact O-N 2.85Å; T384-D386 PolarHBondContact O-N 3.45Å; T384-D386 WeakPolarHBondContact OG1-CB 3.3Å; T384-D386 PolarHBondContact OG1-N 3.34Å; T384-D386 VanDerWaalsContact OG1-N 3.14Å
385	G	95.2	Very high	97.2	Very high	44 Å²	44	25.4 Å²	25.4	45%	0.454	14%	0.142	S	C	.	.			trans	67.1	14.2	-167.5	0	0	0	0	0	114.5	Y381	Y381-G385 WeakPolarHBondContact O-CA 3.45Å; Y381-G385 PolarHBondContact O-N 2.85Å
386	D	95	Very high	97.2	Very high	55 Å²	55	25 Å²	25	29%	0.294	14%	0.14	S	C	.	.			trans	-66.6	121.8	-177.1	-169.6	-40.7	0	0	0	111.4	Y381 T384 T388 L389	Y381-D386 WeakPolarHBondContact CD2-O 3.49Å; T384-D386 PolarHBondContact O-N 3.45Å; T384-D386 WeakPolarHBondContact OG1-CB 3.3Å; T384-D386 PolarHBondContact OG1-N 3.34Å; T384-D386 VanDerWaalsContact OG1-N 3.14Å; D386-T388 PolarHBondContact O-N 3.11Å; D386-T388 WeakPolarHBondContact OD1-CB 3.34Å; D386-T388 PolarHBondContact OD1-N 3.26Å; D386-T388 PolarHBondContact OD1-OG1 3.46Å; D386-L389 HydrophobicContact CB-CD1 4.07Å; D386-L389 HydrophobicContact CB-CG 4.37Å; D386-L389 WeakPolarHBondContact O-CB 3.16Å; D386-L389 PolarHBondContact O-N 2.65Å; D386-L389 VanDerWaalsContact O-N 3.17Å
387	P	94.1	Very high	97.2	Very high	43 Å²	43	25 Å²	25	28%	0.279	14%	0.14	S	C	.	.	H	α-helix	trans	-63.4	-21.1	-177.8	26.6	-35.5	0	0	0	114	L389 L390 E391	P387-L389 PolarHBondContact O-N 3.26Å; P387-L389 VanDerWaalsContact O-N 3.13Å; P387-L390 WeakPolarHBondContact O-CB 3.39Å; P387-L390 PolarHBondContact O-N 3.39Å; P387-E391 PolarHBondContact O-N 3.34Å; P387-E391 VanDerWaalsContact O-N 3.09Å
388	T	94.7	Very high	97.2	Very high	32 Å²	32	28.6 Å²	28.6	20%	0.196	16%	0.157	C	C	.	.	H	α-helix	trans	-57.1	-29.2	175.6	-48.7	0	0	0	0	111.7	L337 Y340 D386 E391 L392	L337-T388 HydrophobicContact CD2-CG2 4.15Å; Y340-T388 HydrophobicContact CD1-CG2 4.45Å; Y340-T388 HydrophobicContact CE1-CG2 4.14Å; D386-T388 PolarHBondContact O-N 3.11Å; D386-T388 WeakPolarHBondContact OD1-CB 3.34Å; D386-T388 PolarHBondContact OD1-N 3.26Å; D386-T388 PolarHBondContact OD1-OG1 3.46Å; T388-E391 WeakPolarHBondContact O-CB 3.2Å; T388-E391 PolarHBondContact O-N 2.96Å; T388-L392 PolarHBondContact O-N 3.06Å; T388-L392 VanDerWaalsContact O-N 3.08Å
389	L	97.8	Very high	97.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-75.1	-33.4	-179.5	-57.6	168.8	0	0	0	111.4	M333 F336 A377 L380 Y381 D386 P387 E391 L392 G393	M333-L389 HydrophobicContact CE-CD2 4.27Å; M333-L389 HydrophobicContact SD-CD1 4.36Å; M333-L389 HydrophobicContact SD-CD2 4.26Å; F336-L389 HydrophobicContact CD1-CD2 3.89Å; F336-L389 HydrophobicContact CE1-CD2 3.38Å; F336-L389 HydrophobicContact CE2-CD2 4.12Å; F336-L389 HydrophobicContact CG-CD2 4.45Å; F336-L389 HydrophobicContact CZ-CD2 3.47Å; F336-L389 VanDerWaalsContact CZ-CD2 3.47Å; A377-L389 HydrophobicContact CB-CD2 4.46Å; L380-L389 HydrophobicContact CB-CD1 3.55Å; L380-L389 HydrophobicContact CB-CD2 4.02Å; L380-L389 HydrophobicContact CB-CG 4.46Å; L380-L389 HydrophobicContact CD1-CD2 4.42Å; Y381-L389 HydrophobicContact CD2-CB 4.18Å; Y381-L389 HydrophobicContact CD2-CD1 4.44Å; Y381-L389 HydrophobicContact CG-CB 4.45Å; D386-L389 HydrophobicContact CB-CD1 4.07Å; D386-L389 HydrophobicContact CB-CG 4.37Å; D386-L389 WeakPolarHBondContact O-CB 3.16Å; D386-L389 PolarHBondContact O-N 2.65Å; D386-L389 VanDerWaalsContact O-N 3.17Å; P387-L389 PolarHBondContact O-N 3.26Å; P387-L389 VanDerWaalsContact O-N 3.13Å; L389-E391 VanDerWaalsContact C-N 3.32Å; L389-L392 PolarHBondContact O-N 3.05Å; L389-G393 PolarHBondContact O-N 3.05Å; L389-G393 VanDerWaalsContact O-N 3.14Å
390	L	97.6	Very high	97.2	Very high	9 Å²	9	28.3 Å²	28.3	5%	0.047	16%	0.16	C	C	.	.	H	α-helix	trans	-69	-32.7	168.9	-63	178.9	0	0	0	111.5	P30 P32 Y381 P387 G393 R394 L440 F441	P30-L390 HydrophobicContact CB-CB 4.45Å; P30-L390 HydrophobicContact CG-CB 4.13Å; P32-L390 HydrophobicContact CG-CD1 4.3Å; Y381-L390 HydrophobicContact CD1-CD2 4.27Å; Y381-L390 HydrophobicContact CD2-CD2 4.46Å; Y381-L390 HydrophobicContact CD2-CG 4.2Å; Y381-L390 HydrophobicContact CE1-CD2 3.98Å; Y381-L390 HydrophobicContact CE1-CG 4.43Å; Y381-L390 HydrophobicContact CE2-CD1 3.93Å; Y381-L390 HydrophobicContact CE2-CD2 4.19Å; Y381-L390 HydrophobicContact CE2-CG 3.76Å; P387-L390 WeakPolarHBondContact O-CB 3.39Å; P387-L390 PolarHBondContact O-N 3.39Å; L390-G393 PolarHBondContact O-N 3.01Å; L390-R394 PolarHBondContact O-N 3.22Å; L390-L440 HydrophobicContact CD2-CD1 3.94Å; L390-L440 HydrophobicContact CD2-CG 4.01Å; L390-F441 HydrophobicContact CD2-CD1 3.96Å; L390-F441 HydrophobicContact CD2-CE1 4.04Å
391	E	97.1	Very high	97.2	Very high	20 Å²	20	30.4 Å²	30.4	9%	0.093	17%	0.169	C	C	.	.	H	α-helix	trans	-64.2	-41.3	174.1	-66.2	-178.2	-164	0	0	112.2	A22 P30 Y340 P387 T388 L389 G393 R394 D395	A22-E391 VanDerWaalsContact O-OE1 3.13Å; P30-E391 HydrophobicContact CG-CG 4.14Å; Y340-E391 VanDerWaalsContact OH-C 3.28Å; Y340-E391 PolarHBondContact OH-O 2.83Å; P387-E391 PolarHBondContact O-N 3.34Å; P387-E391 VanDerWaalsContact O-N 3.09Å; T388-E391 WeakPolarHBondContact O-CB 3.2Å; T388-E391 PolarHBondContact O-N 2.96Å; L389-E391 VanDerWaalsContact C-N 3.32Å; E391-G393 VanDerWaalsContact C-N 3.33Å; E391-R394 PolarHBondContact O-N 3.32Å; E391-D395 PolarHBondContact O-N 3.31Å
392	L	97.9	Very high	97.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-57	-50.8	168.8	175.9	85.6	0	0	0	109.7	F336 Y340 W343 L373 A377 T388 L389 R394 D395 A396	F336-L392 HydrophobicContact CE2-CD2 3.87Å; F336-L392 HydrophobicContact CZ-CB 4.09Å; F336-L392 HydrophobicContact CZ-CD2 3.56Å; F336-L392 HydrophobicContact CZ-CG 4.24Å; Y340-L392 HydrophobicContact CD2-CB 4.22Å; Y340-L392 HydrophobicContact CD2-CD1 3.15Å; Y340-L392 HydrophobicContact CD2-CG 4.26Å; Y340-L392 HydrophobicContact CE1-CB 4.42Å; Y340-L392 HydrophobicContact CE2-CB 3.93Å; Y340-L392 HydrophobicContact CE2-CD1 3.44Å; Y340-L392 VanDerWaalsContact CE2-CD1 3.44Å; Y340-L392 HydrophobicContact CE2-CG 4.26Å; Y340-L392 HydrophobicContact CG-CD1 3.9Å; Y340-L392 PolarHBondContact OH-N 3.18Å; W343-L392 HydrophobicContact CB-CD1 4.44Å; W343-L392 HydrophobicContact CD2-CD1 4.46Å; W343-L392 HydrophobicContact CG-CD1 4.23Å; L373-L392 HydrophobicContact CD2-CD1 3.58Å; L373-L392 HydrophobicContact CD2-CD2 4.23Å; L373-L392 HydrophobicContact CG-CD1 4.11Å; L373-L392 HydrophobicContact CG-CD2 3.81Å; A377-L392 HydrophobicContact CB-CD2 3.47Å; A377-L392 VanDerWaalsContact CB-CD2 3.47Å; T388-L392 PolarHBondContact O-N 3.06Å; T388-L392 VanDerWaalsContact O-N 3.08Å; L389-L392 PolarHBondContact O-N 3.05Å; L392-R394 VanDerWaalsContact C-N 3.27Å; L392-R394 PolarHBondContact O-N 2.99Å; L392-D395 PolarHBondContact O-N 2.63Å; L392-A396 WeakPolarHBondContact O-CB 3.32Å; L392-A396 PolarHBondContact O-N 3.06Å
393	G	98.4	Very high	97.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-53.9	-44.3	-178.6	0	0	0	0	0	112.5	L389 L390 E391 A396 V397 F441	L389-G393 PolarHBondContact O-N 3.05Å; L389-G393 VanDerWaalsContact O-N 3.14Å; L390-G393 PolarHBondContact O-N 3.01Å; E391-G393 VanDerWaalsContact C-N 3.33Å; G393-A396 PolarHBondContact O-N 3.11Å; G393-V397 WeakPolarHBondContact O-CG2 3.36Å; G393-V397 PolarHBondContact O-N 3Å; G393-F441 VanDerWaalsContact C-CZ 3.41Å
394	R	98.3	Very high	97.5	Very high	14 Å²	14	30.3 Å²	30.3	5%	0.053	17%	0.166	C	C	.	.	H	α-helix	trans	-58.2	-54.4	175	160.9	-176.2	80.3	-138	-14.1	110.3	P30 Y35 L390 E391 L392 A396 V397 E398	P30-R394 HydrophobicContact CB-CB 4.23Å; P30-R394 HydrophobicContact CG-CB 4.13Å; Y35-R394 HydrophobicContact CD1-CB 4.39Å; Y35-R394 HydrophobicContact CE1-CB 3.88Å; Y35-R394 HydrophobicContact CE1-CG 3.66Å; Y35-R394 HydrophobicContact CE2-CB 4.1Å; Y35-R394 HydrophobicContact CE2-CG 4.1Å; Y35-R394 VanDerWaalsContact OH-CD 3.27Å; Y35-R394 WeakPolarHBondContact OH-CD 2.97Å; Y35-R394 WeakPolarHBondContact OH-CG 3.38Å; L390-R394 PolarHBondContact O-N 3.22Å; E391-R394 PolarHBondContact O-N 3.32Å; L392-R394 VanDerWaalsContact C-N 3.27Å; L392-R394 PolarHBondContact O-N 2.99Å; R394-A396 PolarHBondContact O-N 3.06Å; R394-V397 PolarHBondContact O-N 3.1Å; R394-E398 HydrophobicContact CG-CG 4.44Å; R394-E398 WeakPolarHBondContact CG-OE1 3.4Å; R394-E398 WeakPolarHBondContact O-CB 3.43Å; R394-E398 WeakPolarHBondContact O-CG 3.23Å; R394-E398 PolarHBondContact O-N 3.18Å
395	D	98.4	Very high	97.6	Very high	19 Å²	19	31.9 Å²	31.9	10%	0.102	17%	0.168	C	C	.	.	H	α-helix	trans	-64.9	-31.6	-173.6	-62.1	-10.5	0	0	0	111	Y340 K344 E391 L392 S399	Y340-D395 WeakPolarHBondContact CE2-OD2 3.37Å; Y340-D395 PolarHBondContact OH-OD2 3.17Å; K344-D395 WeakPolarHBondContact CD-OD2 3.32Å; K344-D395 WeakPolarHBondContact CE-OD2 3.37Å; K344-D395 IonicContact NZ-OD1 2.6Å; K344-D395 IonicContact NZ-OD2 2.79Å; K344-D395 PolarHBondContact NZ-OD2 2.94Å; E391-D395 PolarHBondContact O-N 3.31Å; L392-D395 PolarHBondContact O-N 2.63Å; D395-S399 WeakPolarHBondContact O-CB 3.17Å; D395-S399 PolarHBondContact O-N 2.69Å; D395-S399 PolarHBondContact O-OG 3.2Å
396	A	98.6	Very high	97.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66	-51.9	174.9	0	0	0	0	0	111.5	W343 I374 L392 G393 R394 E398 S399 I400 L437	W343-A396 HydrophobicContact CH2-CB 4.11Å; W343-A396 VanDerWaalsContact CZ2-CA 3.46Å; W343-A396 HydrophobicContact CZ2-CB 3.63Å; I374-A396 HydrophobicContact CD1-CB 4.07Å; I374-A396 HydrophobicContact CG1-CB 4.23Å; L392-A396 WeakPolarHBondContact O-CB 3.32Å; L392-A396 PolarHBondContact O-N 3.06Å; G393-A396 PolarHBondContact O-N 3.11Å; R394-A396 PolarHBondContact O-N 3.06Å; A396-E398 VanDerWaalsContact C-N 3.34Å; A396-E398 PolarHBondContact O-N 3.33Å; A396-S399 PolarHBondContact O-N 3.24Å; A396-I400 WeakPolarHBondContact O-CB 3.44Å; A396-I400 VanDerWaalsContact O-CG1 3.23Å; A396-I400 WeakPolarHBondContact O-CG1 3.49Å; A396-I400 PolarHBondContact O-N 3.28Å; A396-L437 HydrophobicContact CB-CD2 4.14Å
397	V	98.8	Very high	97.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-54.6	-51.1	174.6	169.3	0	0	0	0	110.8	Y35 R38 V39 M42 G393 R394 S399 E401 L437 F441	Y35-V397 HydrophobicContact CD1-CB 4.13Å; Y35-V397 HydrophobicContact CD1-CG1 4.06Å; Y35-V397 HydrophobicContact CD1-CG2 4.39Å; Y35-V397 HydrophobicContact CE1-CG1 4.45Å; R38-V397 HydrophobicContact CB-CG1 4.17Å; V39-V397 HydrophobicContact CG2-CG2 3.5Å; M42-V397 HydrophobicContact SD-CB 4.36Å; M42-V397 HydrophobicContact SD-CG1 3.83Å; M42-V397 HydrophobicContact SD-CG2 4.21Å; G393-V397 WeakPolarHBondContact O-CG2 3.36Å; G393-V397 PolarHBondContact O-N 3Å; R394-V397 PolarHBondContact O-N 3.1Å; V397-S399 PolarHBondContact O-N 2.98Å; V397-E401 WeakPolarHBondContact O-CB 3.23Å; V397-E401 WeakPolarHBondContact O-CG 3.45Å; V397-E401 PolarHBondContact O-N 3.3Å; V397-L437 HydrophobicContact CG2-CD1 3.94Å; V397-L437 HydrophobicContact CG2-CD2 4.11Å; V397-F441 HydrophobicContact CG2-CE2 4.17Å
398	E	98.5	Very high	98	Very high	76 Å²	76	35.4 Å²	35.4	36%	0.355	17%	0.17	S	C	.	.	H	α-helix	trans	-66	-39.3	-177.3	-73.7	178.6	-170.3	0	0	113.2	Y35 R38 R394 A396 K402	Y35-E398 HydrophobicContact CE1-CG 4.27Å; Y35-E398 PolarHBondContact OH-OE1 2.93Å; R38-E398 IonicContact NH1-OE1 3.72Å; R394-E398 HydrophobicContact CG-CG 4.44Å; R394-E398 WeakPolarHBondContact CG-OE1 3.4Å; R394-E398 WeakPolarHBondContact O-CB 3.43Å; R394-E398 WeakPolarHBondContact O-CG 3.23Å; R394-E398 PolarHBondContact O-N 3.18Å; A396-E398 VanDerWaalsContact C-N 3.34Å; A396-E398 PolarHBondContact O-N 3.33Å; E398-K402 WeakPolarHBondContact O-CB 3.19Å; E398-K402 PolarHBondContact O-N 3.09Å; E398-K402 VanDerWaalsContact O-N 3.11Å
399	S	98.4	Very high	98.2	Very high	25 Å²	25	33.9 Å²	33.9	18%	0.175	16%	0.161	C	C	.	.	H	α-helix	trans	-68.3	-51.3	178.9	-57	0	0	0	0	110.3	G347 D395 A396 V397 E401 K402 I403	G347-S399 WeakPolarHBondContact O-CB 3.16Å; D395-S399 WeakPolarHBondContact O-CB 3.17Å; D395-S399 PolarHBondContact O-N 2.69Å; D395-S399 PolarHBondContact O-OG 3.2Å; A396-S399 PolarHBondContact O-N 3.24Å; V397-S399 PolarHBondContact O-N 2.98Å; S399-E401 PolarHBondContact O-N 3.1Å; S399-K402 PolarHBondContact O-N 3.21Å; S399-K402 VanDerWaalsContact O-N 3.13Å; S399-I403 WeakPolarHBondContact O-CG1 3.37Å; S399-I403 PolarHBondContact O-N 3.08Å
400	I	98.7	Very high	98.3	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-57.5	-52	179.6	-68.1	169.8	0	0	0	110.1	M42 W343 Y367 L369 A396 K402 I403 S404 K405 F410 F429 T433	M42-I400 HydrophobicContact CE-CB 4.12Å; M42-I400 HydrophobicContact CE-CG2 3.59Å; W343-I400 HydrophobicContact CH2-CD1 4.35Å; W343-I400 HydrophobicContact CZ2-CG1 4.44Å; Y367-I400 HydrophobicContact CE1-CG1 4.43Å; L369-I400 HydrophobicContact CD2-CG2 4.49Å; A396-I400 WeakPolarHBondContact O-CB 3.44Å; A396-I400 VanDerWaalsContact O-CG1 3.23Å; A396-I400 WeakPolarHBondContact O-CG1 3.49Å; A396-I400 PolarHBondContact O-N 3.28Å; I400-K402 PolarHBondContact O-N 3.4Å; I400-I403 PolarHBondContact O-N 3.13Å; I400-S404 VanDerWaalsContact CG2-OG 3.31Å; I400-S404 WeakPolarHBondContact CG2-OG 3.48Å; I400-S404 PolarHBondContact O-N 2.91Å; I400-S404 PolarHBondContact O-OG 3.43Å; I400-K405 PolarHBondContact O-N 2.62Å; I400-F410 HydrophobicContact CG2-CD1 3.7Å; I400-F410 HydrophobicContact CG2-CE1 3.91Å; I400-F429 HydrophobicContact CG2-CE2 4.06Å; I400-F429 HydrophobicContact CG2-CZ 4.17Å; I400-T433 HydrophobicContact CD1-CG2 4.04Å
401	E	98.5	Very high	98.3	Very high	43 Å²	43	33.4 Å²	33.4	20%	0.201	16%	0.158	C	C	.	.	H	α-helix	trans	-59.8	-34.5	178.7	-74.1	-167.8	123.4	0	0	113.4	R38 M42 V397 S399 K405 F410	R38-E401 IonicContact CZ-OE2 2.75Å; R38-E401 VanDerWaalsContact CZ-OE2 3.28Å; R38-E401 IonicContact NE-OE2 3.32Å; R38-E401 PolarHBondContact NE-OE2 3.45Å; R38-E401 VanDerWaalsContact NE-OE2 3.12Å; R38-E401 IonicContact NH2-OE2 3.08Å; R38-E401 PolarHBondContact NH2-OE2 3.46Å; M42-E401 HydrophobicContact CE-CG 4.27Å; M42-E401 HydrophobicContact CG-CG 3.86Å; M42-E401 HydrophobicContact SD-CG 3.88Å; V397-E401 WeakPolarHBondContact O-CB 3.23Å; V397-E401 WeakPolarHBondContact O-CG 3.45Å; V397-E401 PolarHBondContact O-N 3.3Å; S399-E401 PolarHBondContact O-N 3.1Å; E401-K405 WeakPolarHBondContact O-CB 3.47Å; E401-F410 HydrophobicContact CG-CE1 4.27Å
402	K	98.3	Very high	98.3	Very high	178 Å²	178	33.2 Å²	33.2	77%	0.774	16%	0.158	S	C	*	.	H	α-helix	trans	-76.6	-40.3	-178.6	-178.9	-179.5	177.1	-174.2	0	112.8	E398 S399 I400	E398-K402 WeakPolarHBondContact O-CB 3.19Å; E398-K402 PolarHBondContact O-N 3.09Å; E398-K402 VanDerWaalsContact O-N 3.11Å; S399-K402 PolarHBondContact O-N 3.21Å; S399-K402 VanDerWaalsContact O-N 3.13Å; I400-K402 PolarHBondContact O-N 3.4Å
403	I	97.8	Very high	98.4	Very high	19 Å²	19	33.2 Å²	33.2	10%	0.097	16%	0.159	C	C	.	.	H	α-helix	trans	-108.9	-19.9	-166.1	77.4	-167.1	0	0	0	113.7	G347 S399 I400 I413 H419 L421	G347-I403 WeakPolarHBondContact O-CD1 3.37Å; S399-I403 WeakPolarHBondContact O-CG1 3.37Å; S399-I403 PolarHBondContact O-N 3.08Å; I400-I403 PolarHBondContact O-N 3.13Å; I403-I413 HydrophobicContact CD1-CD1 3.34Å; I403-I413 HydrophobicContact CG1-CD1 3.44Å; I403-I413 VanDerWaalsContact CG1-CD1 3.44Å; I403-I413 HydrophobicContact CG1-CG1 4.39Å; I403-H419 HydrophobicContact CB-CB 4.41Å; I403-L421 VanDerWaalsContact O-CD2 3.32Å; I403-L421 WeakPolarHBondContact O-CD2 3.35Å
404	S	98.4	Very high	98.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.8	-17.4	-179.1	62.3	0	0	0	0	115	L369 I400 V406 F410 A411	L369-S404 WeakPolarHBondContact CD2-OG 3.29Å; I400-S404 VanDerWaalsContact CG2-OG 3.31Å; I400-S404 WeakPolarHBondContact CG2-OG 3.48Å; I400-S404 PolarHBondContact O-N 2.91Å; I400-S404 PolarHBondContact O-OG 3.43Å; S404-V406 PolarHBondContact O-N 2.83Å; S404-F410 CarbonylContact O-C 3.52Å; S404-F410 WeakPolarHBondContact O-CA 3.36Å; S404-A411 WeakPolarHBondContact CB-O 3.45Å; S404-A411 PolarHBondContact O-N 3.13Å
405	K	98.6	Very high	98.3	Very high	92 Å²	92	38.4 Å²	38.4	40%	0.4	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	129.1	179.8	-168.8	174.1	-177.3	169.3	0	111.5	I400 E401 F410	I400-K405 PolarHBondContact O-N 2.62Å; E401-K405 WeakPolarHBondContact O-CB 3.47Å; K405-F410 HydrophobicContact CB-CD1 3.91Å; K405-F410 HydrophobicContact CB-CE1 3.7Å; K405-F410 HydrophobicContact CB-CZ 4.37Å; K405-F410 HydrophobicContact CD-CE1 4.25Å; K405-F410 HydrophobicContact CD-CZ 4.18Å; K405-F410 HydrophobicContact CG-CD1 4.37Å; K405-F410 HydrophobicContact CG-CE1 3.95Å; K405-F410 HydrophobicContact CG-CZ 4.11Å
406	V	98.6	Very high	98.3	Very high	31 Å²	31	37.6 Å²	37.6	19%	0.188	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	-179	175.2	-63.8	0	0	0	0	110.1	H45 P62 L63 S404 C408 G409 A411 L421	H45-V406 PolarHBondContact CE1-O 3.18Å; H45-V406 PolarHBondContact NE2-O 3.46Å; P62-V406 HydrophobicContact CB-CG2 3.64Å; P62-V406 HydrophobicContact CG-CG2 4.27Å; P62-V406 WeakPolarHBondContact O-CG2 3.24Å; L63-V406 HydrophobicContact CD2-CB 4.27Å; L63-V406 HydrophobicContact CD2-CG1 3.71Å; L63-V406 HydrophobicContact CD2-CG2 4.2Å; S404-V406 PolarHBondContact O-N 2.83Å; V406-C408 PolarHBondContact O-N 2.73Å; V406-G409 WeakPolarHBondContact CG2-O 3.11Å; V406-G409 PolarHBondContact N-O 3.14Å; V406-G409 VanDerWaalsContact O-O 3.1Å; V406-A411 HydrophobicContact CG1-CB 4.3Å; V406-A411 HydrophobicContact CG2-CB 4.31Å; V406-L421 HydrophobicContact CG1-CD1 3.68Å
407	E	98	Very high	98.1	Very high	173 Å²	173	42.8 Å²	42.8	81%	0.808	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-48.9	-176.1	-174.5	172.4	-177.5	0	0	112.2	H45	H45-E407 PolarHBondContact CE1-O 2.86Å; H45-E407 VanDerWaalsContact CE1-O 3.23Å
408	C	97.4	Very high	98	Very high	11 Å²	11	47.7 Å²	47.7	7%	0.074	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	50.6	-175.6	-58.4	0	0	0	0	112.2	S49 L60 P62 C65 V406	S49-C408 VanDerWaalsContact CB-C 3.46Å; S49-C408 WeakPolarHBondContact OG-CA 3.46Å; L60-C408 WeakPolarHBondContact CD2-O 3.36Å; P62-C408 WeakPolarHBondContact CA-O 3.39Å; P62-C408 WeakPolarHBondContact CB-O 3.41Å; C65-C408 HydrophobicContact CB-CB 3.78Å; C65-C408 WeakPolarHBondContact CB-SG 3.44Å; C65-C408 WeakPolarHBondContact SG-CB 3.34Å; C65-C408 CovalentContact SG-SG 2.02Å; C65-C408 PolarHBondContact SG-SG 2.9Å; V406-C408 PolarHBondContact O-N 2.73Å
409	G	98.3	Very high	98	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	112.9	-143.6	176.3	0	0	0	0	0	114.8	H45 S49 V406	H45-G409 PolarHBondContact NE2-N 2.8Å; H45-G409 PolarHBondContact NE2-O 2.82Å; S49-G409 PolarHBondContact OG-N 3.47Å; V406-G409 WeakPolarHBondContact CG2-O 3.11Å; V406-G409 PolarHBondContact N-O 3.14Å; V406-G409 VanDerWaalsContact O-O 3.1Å
410	F	98.7	Very high	97.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	125.8	-178.7	-66.4	-102	0	0	0	110.6	M42 H45 A46 L369 I400 E401 S404 K405 M425 F429	M42-F410 HydrophobicContact CB-CE2 4.14Å; M42-F410 HydrophobicContact CB-CZ 3.81Å; M42-F410 HydrophobicContact CE-CE1 4.12Å; M42-F410 HydrophobicContact CE-CZ 4.22Å; M42-F410 HydrophobicContact CG-CE1 4.47Å; M42-F410 HydrophobicContact CG-CZ 3.82Å; M42-F410 WeakPolarHBondContact O-CE2 3.4Å; H45-F410 HydrophobicContact CB-CE2 4.22Å; H45-F410 AromaticContact CD2-CE2 3.58Å; A46-F410 HydrophobicContact CB-CD2 4Å; A46-F410 HydrophobicContact CB-CE2 4.34Å; L369-F410 HydrophobicContact CD1-CB 3.75Å; I400-F410 HydrophobicContact CG2-CD1 3.7Å; I400-F410 HydrophobicContact CG2-CE1 3.91Å; E401-F410 HydrophobicContact CG-CE1 4.27Å; S404-F410 CarbonylContact O-C 3.52Å; S404-F410 WeakPolarHBondContact O-CA 3.36Å; K405-F410 HydrophobicContact CB-CD1 3.91Å; K405-F410 HydrophobicContact CB-CE1 3.7Å; K405-F410 HydrophobicContact CB-CZ 4.37Å; K405-F410 HydrophobicContact CD-CE1 4.25Å; K405-F410 HydrophobicContact CD-CZ 4.18Å; K405-F410 HydrophobicContact CG-CD1 4.37Å; K405-F410 HydrophobicContact CG-CE1 3.95Å; K405-F410 HydrophobicContact CG-CZ 4.11Å; F410-M425 HydrophobicContact CB-SD 4.36Å; F410-M425 PolarHBondContact N-SD 2.6Å; F410-M425 VanDerWaalsContact O-CB 3.26Å; F410-M425 WeakPolarHBondContact O-CB 3.34Å; F410-M425 WeakPolarHBondContact O-CG 3.2Å; F410-F429 HydrophobicContact CB-CD1 4.4Å; F410-F429 HydrophobicContact CB-CE1 3.88Å; F410-F429 HydrophobicContact CB-CZ 4.1Å; F410-F429 HydrophobicContact CD1-CE1 4.48Å; F410-F429 HydrophobicContact CD1-CZ 4.09Å; F410-F429 HydrophobicContact CD2-CD1 4.46Å; F410-F429 AromaticContact CD2-CE1 3.43Å; F410-F429 HydrophobicContact CD2-CE1 3.43Å; F410-F429 VanDerWaalsContact CD2-CE1 3.43Å; F410-F429 AromaticContact CD2-CZ 3.82Å; F410-F429 HydrophobicContact CD2-CZ 3.82Å; F410-F429 HydrophobicContact CE1-CZ 4.46Å; F410-F429 HydrophobicContact CE2-CE1 4.02Å; F410-F429 HydrophobicContact CE2-CZ 4.21Å; F410-F429 AromaticContact CG-CE1 3.69Å; F410-F429 HydrophobicContact CG-CE1 3.69Å; F410-F429 AromaticContact CG-CZ 3.74Å; F410-F429 HydrophobicContact CG-CZ 3.74Å
411	A	98.4	Very high	97.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-93.1	137	-176.4	0	0	0	0	0	112.2	P62 L63 S404 V406 I413 L421	P62-A411 HydrophobicContact CG-CB 3.77Å; L63-A411 HydrophobicContact CD2-CB 3.92Å; L63-A411 HydrophobicContact CG-CB 4.32Å; S404-A411 WeakPolarHBondContact CB-O 3.45Å; S404-A411 PolarHBondContact O-N 3.13Å; V406-A411 HydrophobicContact CG1-CB 4.3Å; V406-A411 HydrophobicContact CG2-CB 4.31Å; A411-I413 PolarHBondContact O-N 2.91Å; A411-L421 HydrophobicContact CB-CB 4.13Å; A411-L421 HydrophobicContact CB-CD1 4.13Å; A411-L421 HydrophobicContact CB-CD2 4.18Å; A411-L421 HydrophobicContact CB-CG 4.37Å
412	T	98.1	Very high	97.9	Very high	15 Å²	15	55.7 Å²	55.7	9%	0.092	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-49.1	137.7	165.1	-77.3	0	0	0	0	110.5	P368 L421 D422 R424	P368-T412 WeakPolarHBondContact CA-OG1 3.41Å; P368-T412 HydrophobicContact CB-CG2 3.92Å; T412-L421 CarbonylContact O-C 3.58Å; T412-L421 WeakPolarHBondContact O-CA 3.42Å; T412-D422 HydrophobicContact CG2-CB 4.05Å; T412-D422 PolarHBondContact O-N 2.77Å; T412-R424 WeakPolarHBondContact CB-O 3.48Å; T412-R424 PolarHBondContact N-O 3.41Å; T412-R424 PolarHBondContact OG1-O 3.09Å
413	I	98.5	Very high	97.8	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	119.4	173.3	-51.2	173.1	0	0	0	107.5	G366 Y367 I403 A411 D415 L416 L421	G366-I413 CarbonylContact C-O 3.56Å; G366-I413 WeakPolarHBondContact CA-O 3.49Å; Y367-I413 HydrophobicContact CD1-CD1 3.8Å; Y367-I413 HydrophobicContact CD1-CG1 4.46Å; Y367-I413 PolarHBondContact N-O 3.34Å; Y367-I413 PolarHBondContact O-N 3.09Å; I403-I413 HydrophobicContact CD1-CD1 3.34Å; I403-I413 HydrophobicContact CG1-CD1 3.44Å; I403-I413 VanDerWaalsContact CG1-CD1 3.44Å; I403-I413 HydrophobicContact CG1-CG1 4.39Å; A411-I413 PolarHBondContact O-N 2.91Å; I413-D415 WeakPolarHBondContact CG2-O 3.46Å; I413-L416 HydrophobicContact CD1-CD2 3.75Å; I413-L416 HydrophobicContact CG2-CD2 4.14Å; I413-L416 HydrophobicContact CG2-CG 4.35Å; I413-L421 HydrophobicContact CG1-CD2 4.37Å
414	K	98	Very high	97.8	Very high	102 Å²	102	51.5 Å²	51.5	44%	0.443	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	-38.4	176.2	-172.6	168.7	-172.5	136.1	0	112.3	G366 K420 D422	G366-K414 VanDerWaalsContact CA-O 3.26Å; G366-K414 WeakPolarHBondContact CA-O 3.22Å; G366-K414 PolarHBondContact N-O 3.19Å; K414-K420 WeakPolarHBondContact CA-O 3.12Å; K414-K420 HydrophobicContact CB-CG 4.48Å; K414-K420 WeakPolarHBondContact CB-O 3.14Å; K414-K420 HydrophobicContact CD-CD 4.43Å; K414-K420 PolarHBondContact N-O 2.77Å; K414-D422 HydrophobicContact CB-CB 4.1Å; K414-D422 IonicContact NZ-OD2 2.8Å
415	D	98	Very high	97.8	Very high	21 Å²	21	51.6 Å²	51.6	11%	0.112	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	115.3	-178.6	-171	-25.3	0	0	0	110.3	E365 I413 R417 D418 H419 K420	E365-D415 HydrophobicContact CB-CB 4.43Å; I413-D415 WeakPolarHBondContact CG2-O 3.46Å; D415-R417 PolarHBondContact O-N 3.04Å; D415-R417 VanDerWaalsContact OD1-CB 3.24Å; D415-R417 WeakPolarHBondContact OD1-CB 3.43Å; D415-R417 VanDerWaalsContact OD1-CG 3.29Å; D415-R417 WeakPolarHBondContact OD1-CG 3.3Å; D415-R417 IonicContact OD1-CZ 2.66Å; D415-R417 PolarHBondContact OD1-N 3.43Å; D415-R417 IonicContact OD1-NE 3.3Å; D415-R417 PolarHBondContact OD1-NE 3.13Å; D415-R417 IonicContact OD1-NH2 3.16Å; D415-R417 IonicContact OD2-CZ 3.16Å; D415-R417 VanDerWaalsContact OD2-CZ 3.3Å; D415-R417 IonicContact OD2-NE 3.17Å; D415-R417 PolarHBondContact OD2-NE 3.34Å; D415-R417 VanDerWaalsContact OD2-NE 3.16Å; D415-R417 IonicContact OD2-NH2 2.74Å; D415-R417 PolarHBondContact OD2-NH2 3.47Å; D415-D418 WeakPolarHBondContact CB-OD1 3.4Å; D415-H419 VanDerWaalsContact O-CA 3.24Å; D415-H419 WeakPolarHBondContact O-CA 3.42Å; D415-H419 PolarHBondContact O-N 3.13Å; D415-K420 HydrophobicContact CB-CB 4.49Å; D415-K420 PolarHBondContact N-O 2.84Å; D415-K420 PolarHBondContact O-N 2.85Å
416	L	97.2	Very high	97.6	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-13.9	-179.4	-82.7	172.1	0	0	0	114.5	F346 P350 E365 I413 H419	F346-L416 HydrophobicContact CB-CB 4.14Å; F346-L416 HydrophobicContact CB-CD1 4.11Å; F346-L416 HydrophobicContact CB-CD2 4.37Å; F346-L416 HydrophobicContact CB-CG 4.47Å; F346-L416 HydrophobicContact CD1-CB 4.39Å; F346-L416 HydrophobicContact CG-CB 4.45Å; P350-L416 HydrophobicContact CB-CD1 3.88Å; P350-L416 HydrophobicContact CG-CD1 4.45Å; E365-L416 WeakPolarHBondContact O-CB 3.22Å; E365-L416 WeakPolarHBondContact O-CG 3.45Å; E365-L416 PolarHBondContact O-N 2.75Å; E365-L416 VanDerWaalsContact O-N 3.1Å; I413-L416 HydrophobicContact CD1-CD2 3.75Å; I413-L416 HydrophobicContact CG2-CD2 4.14Å; I413-L416 HydrophobicContact CG2-CG 4.35Å; L416-H419 PolarHBondContact O-CD2 3.25Å; L416-H419 PolarHBondContact O-NE2 3.41Å
417	R	95.9	Very high	97.6	Very high	108 Å²	108	47 Å²	47	41%	0.408	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-36.5	-177.4	-58	172.7	-66.8	-161.6	0.9	112.1	Y359 T360 E365 D415	Y359-R417 HydrophobicContact CE1-CG 4.24Å; Y359-R417 WeakPolarHBondContact OH-CD 3.36Å; T360-R417 HydrophobicContact CG2-CG 4.4Å; E365-R417 IonicContact OE1-CZ 3.65Å; E365-R417 IonicContact OE1-NH1 3.47Å; E365-R417 PolarHBondContact OE1-NH1 3.32Å; E365-R417 VanDerWaalsContact OE1-NH1 3.17Å; E365-R417 IonicContact OE1-NH2 3.51Å; E365-R417 PolarHBondContact OE1-NH2 3.44Å; D415-R417 PolarHBondContact O-N 3.04Å; D415-R417 VanDerWaalsContact OD1-CB 3.24Å; D415-R417 WeakPolarHBondContact OD1-CB 3.43Å; D415-R417 VanDerWaalsContact OD1-CG 3.29Å; D415-R417 WeakPolarHBondContact OD1-CG 3.3Å; D415-R417 IonicContact OD1-CZ 2.66Å; D415-R417 PolarHBondContact OD1-N 3.43Å; D415-R417 IonicContact OD1-NE 3.3Å; D415-R417 PolarHBondContact OD1-NE 3.13Å; D415-R417 IonicContact OD1-NH2 3.16Å; D415-R417 IonicContact OD2-CZ 3.16Å; D415-R417 VanDerWaalsContact OD2-CZ 3.3Å; D415-R417 IonicContact OD2-NE 3.17Å; D415-R417 PolarHBondContact OD2-NE 3.34Å; D415-R417 VanDerWaalsContact OD2-NE 3.16Å; D415-R417 IonicContact OD2-NH2 2.74Å; D415-R417 PolarHBondContact OD2-NH2 3.47Å
418	D	96.4	Very high	97.6	Very high	103 Å²	103	39.3 Å²	39.3	55%	0.551	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.8	2.6	-179.4	68.1	1.6	0	0	0	113.2	D415 K420	D415-D418 WeakPolarHBondContact CB-OD1 3.4Å; D418-K420 PolarHBondContact O-N 2.77Å; D418-K420 WeakPolarHBondContact OD1-CB 3.22Å; D418-K420 PolarHBondContact OD1-N 2.89Å
419	H	97.1	Very high	97.6	Very high	78 Å²	78	38.9 Å²	38.9	36%	0.361	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	31.1	-177.6	-57.8	148.7	0	0	0	113.3	F346 I403 D415 L416 L421	F346-H419 PolarHBondContact O-NE2 3.05Å; F346-H419 VanDerWaalsContact O-NE2 3.08Å; I403-H419 HydrophobicContact CB-CB 4.41Å; D415-H419 VanDerWaalsContact O-CA 3.24Å; D415-H419 WeakPolarHBondContact O-CA 3.42Å; D415-H419 PolarHBondContact O-N 3.13Å; L416-H419 PolarHBondContact O-CD2 3.25Å; L416-H419 PolarHBondContact O-NE2 3.41Å; H419-L421 PolarHBondContact O-N 2.93Å
420	K	97.9	Very high	97.6	Very high	117 Å²	117	38.9 Å²	38.9	51%	0.509	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	134	172.3	-178	174.7	-178.9	174.9	0	110.4	K414 D415 D418	K414-K420 WeakPolarHBondContact CA-O 3.12Å; K414-K420 HydrophobicContact CB-CG 4.48Å; K414-K420 WeakPolarHBondContact CB-O 3.14Å; K414-K420 HydrophobicContact CD-CD 4.43Å; K414-K420 PolarHBondContact N-O 2.77Å; D415-K420 HydrophobicContact CB-CB 4.49Å; D415-K420 PolarHBondContact N-O 2.84Å; D415-K420 PolarHBondContact O-N 2.85Å; D418-K420 PolarHBondContact O-N 2.77Å; D418-K420 WeakPolarHBondContact OD1-CB 3.22Å; D418-K420 PolarHBondContact OD1-N 2.89Å
421	L	98.4	Very high	97.6	Very high	50 Å²	50	38.9 Å²	38.9	26%	0.262	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	151.4	-178.5	-55.9	175.7	0	0	0	112.6	L63 I403 V406 A411 T412 I413 H419	L63-L421 HydrophobicContact CD1-CB 4.11Å; L63-L421 HydrophobicContact CD2-CB 4.38Å; L63-L421 HydrophobicContact CD2-CD1 4.08Å; I403-L421 VanDerWaalsContact O-CD2 3.32Å; I403-L421 WeakPolarHBondContact O-CD2 3.35Å; V406-L421 HydrophobicContact CG1-CD1 3.68Å; A411-L421 HydrophobicContact CB-CB 4.13Å; A411-L421 HydrophobicContact CB-CD1 4.13Å; A411-L421 HydrophobicContact CB-CD2 4.18Å; A411-L421 HydrophobicContact CB-CG 4.37Å; T412-L421 CarbonylContact O-C 3.58Å; T412-L421 WeakPolarHBondContact O-CA 3.42Å; I413-L421 HydrophobicContact CG1-CD2 4.37Å; H419-L421 PolarHBondContact O-N 2.93Å
422	D	97.3	Very high	97.6	Very high	68 Å²	68	39.5 Å²	39.5	36%	0.364	18%	0.183	S	C	.	.			trans	-111.1	153.6	163.6	-142.9	-20.9	0	0	0	110.2	T412 K414 R424	T412-D422 HydrophobicContact CG2-CB 4.05Å; T412-D422 PolarHBondContact O-N 2.77Å; K414-D422 HydrophobicContact CB-CB 4.1Å; K414-D422 IonicContact NZ-OD2 2.8Å; D422-R424 VanDerWaalsContact C-N 3.29Å; D422-R424 PolarHBondContact O-N 2.93Å
423	N	97.6	Very high	97.7	Very high	36 Å²	36	38.8 Å²	38.8	19%	0.193	18%	0.179	C	C	.	.	S	Bend	trans	-88.4	62.4	-171.4	-169.5	24.6	0	0	0	112.5	R61 L63 T64	R61-N423 WeakPolarHBondContact CB-OD1 3.33Å; R61-N423 WeakPolarHBondContact CG-O 3.46Å; R61-N423 PolarHBondContact O-OD1 2.84Å; L63-N423 WeakPolarHBondContact CA-OD1 3.32Å; L63-N423 HydrophobicContact CB-CB 4.2Å; L63-N423 VanDerWaalsContact CB-OD1 3.22Å; L63-N423 WeakPolarHBondContact CB-OD1 3.46Å; L63-N423 HydrophobicContact CD1-CB 3.95Å; L63-N423 HydrophobicContact CG-CB 4.17Å; L63-N423 PolarHBondContact N-OD1 3.25Å; T64-N423 WeakPolarHBondContact CG2-ND2 3.48Å; T64-N423 PolarHBondContact N-OD1 3.01Å; T64-N423 PolarHBondContact OG1-ND2 3.45Å
424	R	96.6	Very high	97.7	Very high	73 Å²	73	38.7 Å²	38.7	28%	0.275	18%	0.178	S	C	.	.			trans	-149	142.3	179.8	-162.4	161	-175.6	-137.7	-9.3	111.3	E59 H68 T412 D422 E426	E59-R424 IonicContact OE1-NH2 2.78Å; E59-R424 IonicContact OE2-CZ 2.67Å; E59-R424 IonicContact OE2-NE 3.15Å; E59-R424 PolarHBondContact OE2-NE 3.39Å; E59-R424 VanDerWaalsContact OE2-NE 3.15Å; E59-R424 IonicContact OE2-NH2 3.82Å; E59-R424 PolarHBondContact OE2-NH2 2.67Å; H68-R424 PolarHBondContact NE2-NE 3.3Å; T412-R424 WeakPolarHBondContact CB-O 3.48Å; T412-R424 PolarHBondContact N-O 3.41Å; T412-R424 PolarHBondContact OG1-O 3.09Å; D422-R424 VanDerWaalsContact C-N 3.29Å; D422-R424 PolarHBondContact O-N 2.93Å; R424-E426 WeakPolarHBondContact CD-OE1 3.2Å; R424-E426 IonicContact CZ-OE1 3.76Å; R424-E426 IonicContact CZ-OE2 3.96Å; R424-E426 IonicContact NE-OE1 3.24Å; R424-E426 PolarHBondContact NE-OE1 3.19Å; R424-E426 VanDerWaalsContact NE-OE1 3.15Å; R424-E426 IonicContact NE-OE2 2.88Å; R424-E426 IonicContact NH1-OE1 3.86Å; R424-E426 PolarHBondContact NH1-OE1 3.36Å; R424-E426 IonicContact NH1-OE2 3.13Å; R424-E426 PolarHBondContact NH1-OE2 2.81Å; R424-E426 IonicContact NH2-OE1 3.64Å; R424-E426 PolarHBondContact NH2-OE1 3.15Å; R424-E426 IonicContact NH2-OE2 3.01Å; R424-E426 PolarHBondContact NH2-OE2 2.96Å
425	M	97.8	Very high	97.7	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-128.9	106.6	166.3	-171.5	175.2	82	0	0	107.2	A46 L60 P62 F410 F429	A46-M425 HydrophobicContact CB-CE 3.83Å; A46-M425 HydrophobicContact CB-SD 3.74Å; L60-M425 HydrophobicContact CB-CB 4.49Å; L60-M425 HydrophobicContact CB-CE 4Å; L60-M425 HydrophobicContact CD2-CE 3.62Å; L60-M425 HydrophobicContact CD2-SD 4.34Å; L60-M425 HydrophobicContact CG-CE 4.39Å; L60-M425 PolarHBondContact O-N 2.58Å; P62-M425 HydrophobicContact CG-CB 4.15Å; F410-M425 HydrophobicContact CB-SD 4.36Å; F410-M425 PolarHBondContact N-SD 2.6Å; F410-M425 VanDerWaalsContact O-CB 3.26Å; F410-M425 WeakPolarHBondContact O-CB 3.34Å; F410-M425 WeakPolarHBondContact O-CG 3.2Å; M425-F429 HydrophobicContact CG-CD1 4.34Å; M425-F429 HydrophobicContact SD-CD1 4.23Å
426	E	96.3	Very high	97.8	Very high	25 Å²	25	32.9 Å²	32.9	12%	0.117	15%	0.152	C	C	.	.			trans	-70.4	146.4	-179.4	-49	-83.3	163.2	0	0	109.8	E59 R424 F428 F429	E59-E426 WeakPolarHBondContact OE1-CA 3.48Å; R424-E426 WeakPolarHBondContact CD-OE1 3.2Å; R424-E426 IonicContact CZ-OE1 3.76Å; R424-E426 IonicContact CZ-OE2 3.96Å; R424-E426 IonicContact NE-OE1 3.24Å; R424-E426 PolarHBondContact NE-OE1 3.19Å; R424-E426 VanDerWaalsContact NE-OE1 3.15Å; R424-E426 IonicContact NE-OE2 2.88Å; R424-E426 IonicContact NH1-OE1 3.86Å; R424-E426 PolarHBondContact NH1-OE1 3.36Å; R424-E426 IonicContact NH1-OE2 3.13Å; R424-E426 PolarHBondContact NH1-OE2 2.81Å; R424-E426 IonicContact NH2-OE1 3.64Å; R424-E426 PolarHBondContact NH2-OE1 3.15Å; R424-E426 IonicContact NH2-OE2 3.01Å; R424-E426 PolarHBondContact NH2-OE2 2.96Å; E426-F428 HydrophobicContact CB-CD1 3.46Å; E426-F428 VanDerWaalsContact CB-CD1 3.46Å; E426-F428 HydrophobicContact CB-CD2 4.22Å; E426-F428 HydrophobicContact CB-CE1 3.18Å; E426-F428 HydrophobicContact CB-CE2 3.96Å; E426-F428 HydrophobicContact CB-CG 3.98Å; E426-F428 HydrophobicContact CB-CZ 3.45Å; E426-F428 VanDerWaalsContact CB-CZ 3.45Å; E426-F428 HydrophobicContact CG-CD1 4.21Å; E426-F428 HydrophobicContact CG-CE1 3.41Å; E426-F428 VanDerWaalsContact CG-CE1 3.41Å; E426-F428 HydrophobicContact CG-CE2 4.28Å; E426-F428 HydrophobicContact CG-CZ 3.45Å; E426-F428 VanDerWaalsContact CG-CZ 3.45Å; E426-F428 PolarHBondContact O-N 3.13Å; E426-F429 WeakPolarHBondContact O-CB 3.5Å; E426-F429 PolarHBondContact O-N 2.92Å; E426-F429 VanDerWaalsContact O-N 3.11Å
427	S	97.1	Very high	97.9	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.014	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-32.6	-177.5	58.6	0	0	0	0	113	E59 T77 D80 R121 F429 L430 A431	E59-S427 PolarHBondContact OE1-N 3.03Å; T77-S427 WeakPolarHBondContact OG1-CB 3.16Å; D80-S427 VanDerWaalsContact OD2-CB 3.26Å; D80-S427 WeakPolarHBondContact OD2-CB 3.16Å; D80-S427 PolarHBondContact OD2-OG 2.83Å; R121-S427 PolarHBondContact NH1-OG 3.48Å; S427-F429 PolarHBondContact O-N 3.35Å; S427-F429 VanDerWaalsContact O-N 3.11Å; S427-L430 PolarHBondContact O-N 3.14Å; S427-A431 PolarHBondContact O-N 3.16Å
428	F	97.9	Very high	98	Very high	12 Å²	12	28.4 Å²	28.4	5%	0.053	14%	0.135	C	C	.	.	H	α-helix	trans	-60.7	-19.4	177.6	64.5	-114.6	0	0	0	114.5	P368 R370 E426 L430 A431 E432 T433 E476	P368-F428 HydrophobicContact CB-CZ 4.36Å; P368-F428 HydrophobicContact CG-CZ 4.47Å; P368-F428 WeakPolarHBondContact O-CE2 3.47Å; P368-F428 WeakPolarHBondContact O-CZ 3.41Å; R370-F428 HydrophobicContact CG-CE2 4.44Å; R370-F428 HydrophobicContact CG-CZ 4.5Å; E426-F428 HydrophobicContact CB-CD1 3.46Å; E426-F428 VanDerWaalsContact CB-CD1 3.46Å; E426-F428 HydrophobicContact CB-CD2 4.22Å; E426-F428 HydrophobicContact CB-CE1 3.18Å; E426-F428 HydrophobicContact CB-CE2 3.96Å; E426-F428 HydrophobicContact CB-CG 3.98Å; E426-F428 HydrophobicContact CB-CZ 3.45Å; E426-F428 VanDerWaalsContact CB-CZ 3.45Å; E426-F428 HydrophobicContact CG-CD1 4.21Å; E426-F428 HydrophobicContact CG-CE1 3.41Å; E426-F428 VanDerWaalsContact CG-CE1 3.41Å; E426-F428 HydrophobicContact CG-CE2 4.28Å; E426-F428 HydrophobicContact CG-CZ 3.45Å; E426-F428 VanDerWaalsContact CG-CZ 3.45Å; E426-F428 PolarHBondContact O-N 3.13Å; F428-L430 PolarHBondContact O-N 3.41Å; F428-A431 PolarHBondContact O-N 2.87Å; F428-E432 HydrophobicContact CB-CG 4.07Å; F428-E432 WeakPolarHBondContact CB-OE1 3.46Å; F428-E432 WeakPolarHBondContact O-CA 3.13Å; F428-E432 VanDerWaalsContact O-CB 3.3Å; F428-E432 WeakPolarHBondContact O-CB 3.46Å; F428-E432 PolarHBondContact O-N 3.29Å; F428-T433 PolarHBondContact O-N 3.21Å; F428-E476 WeakPolarHBondContact CB-OE1 3.18Å
429	F	98.7	Very high	98.1	Very high	1 Å²	1	23.6 Å²	23.6	0%	0.004	11%	0.109	C	C	.	.	I	π-helix	trans	-59.5	-42.2	173.4	175.6	-114.2	0	0	0	110.9	M42 A46 L369 I400 F410 M425 E426 S427 T433 V434	M42-F429 HydrophobicContact CE-CZ 4.1Å; A46-F429 HydrophobicContact CB-CD1 4.29Å; A46-F429 HydrophobicContact CB-CE1 4.06Å; L369-F429 HydrophobicContact CB-CB 4.34Å; L369-F429 HydrophobicContact CB-CD2 3.63Å; L369-F429 HydrophobicContact CB-CE2 4.29Å; L369-F429 HydrophobicContact CB-CG 4.23Å; L369-F429 HydrophobicContact CD1-CB 4.38Å; L369-F429 HydrophobicContact CD1-CD1 4.43Å; L369-F429 HydrophobicContact CD1-CD2 3.91Å; L369-F429 HydrophobicContact CD1-CE2 4.3Å; L369-F429 HydrophobicContact CD1-CG 3.97Å; L369-F429 HydrophobicContact CG-CD2 4.33Å; I400-F429 HydrophobicContact CG2-CE2 4.06Å; I400-F429 HydrophobicContact CG2-CZ 4.17Å; F410-F429 HydrophobicContact CB-CD1 4.4Å; F410-F429 HydrophobicContact CB-CE1 3.88Å; F410-F429 HydrophobicContact CB-CZ 4.1Å; F410-F429 HydrophobicContact CD1-CE1 4.48Å; F410-F429 HydrophobicContact CD1-CZ 4.09Å; F410-F429 HydrophobicContact CD2-CD1 4.46Å; F410-F429 AromaticContact CD2-CE1 3.43Å; F410-F429 HydrophobicContact CD2-CE1 3.43Å; F410-F429 VanDerWaalsContact CD2-CE1 3.43Å; F410-F429 AromaticContact CD2-CZ 3.82Å; F410-F429 HydrophobicContact CD2-CZ 3.82Å; F410-F429 HydrophobicContact CE1-CZ 4.46Å; F410-F429 HydrophobicContact CE2-CE1 4.02Å; F410-F429 HydrophobicContact CE2-CZ 4.21Å; F410-F429 AromaticContact CG-CE1 3.69Å; F410-F429 HydrophobicContact CG-CE1 3.69Å; F410-F429 AromaticContact CG-CZ 3.74Å; F410-F429 HydrophobicContact CG-CZ 3.74Å; M425-F429 HydrophobicContact CG-CD1 4.34Å; M425-F429 HydrophobicContact SD-CD1 4.23Å; E426-F429 WeakPolarHBondContact O-CB 3.5Å; E426-F429 PolarHBondContact O-N 2.92Å; E426-F429 VanDerWaalsContact O-N 3.11Å; S427-F429 PolarHBondContact O-N 3.35Å; S427-F429 VanDerWaalsContact O-N 3.11Å; F429-T433 HydrophobicContact CD2-CG2 3.84Å; F429-T433 HydrophobicContact CE2-CG2 3.83Å; F429-V434 HydrophobicContact CD1-CG2 4.39Å; F429-V434 HydrophobicContact CD2-CG2 4.43Å; F429-V434 HydrophobicContact CE1-CG2 3.95Å; F429-V434 HydrophobicContact CE2-CG2 4.02Å; F429-V434 HydrophobicContact CZ-CG2 3.77Å; F429-V434 WeakPolarHBondContact O-CB 3.05Å; F429-V434 VanDerWaalsContact O-CG2 3.3Å; F429-V434 WeakPolarHBondContact O-CG2 3.45Å; F429-V434 PolarHBondContact O-N 3.29Å
430	L	98.7	Very high	98.2	Very high	1 Å²	1	20 Å²	20	1%	0.005	9%	0.093	C	C	.	.	I	π-helix	trans	-76.1	-45.2	175.5	-68.1	178.6	0	0	0	111.3	F43 A46 Y47 T77 A81 T84 S427 F428 E432	F43-L430 HydrophobicContact CD2-CD2 3.67Å; F43-L430 HydrophobicContact CE2-CB 4.07Å; F43-L430 HydrophobicContact CE2-CD2 3.86Å; F43-L430 HydrophobicContact CE2-CG 4.47Å; F43-L430 HydrophobicContact CG-CD2 4.24Å; A46-L430 HydrophobicContact CB-CD2 3.6Å; A46-L430 HydrophobicContact CB-CG 4.35Å; Y47-L430 HydrophobicContact CD2-CD1 4.19Å; T77-L430 HydrophobicContact CG2-CD1 3.68Å; A81-L430 HydrophobicContact CB-CB 4.14Å; A81-L430 HydrophobicContact CB-CD1 4.27Å; T84-L430 PolarHBondContact OG1-O 3.18Å; S427-L430 PolarHBondContact O-N 3.14Å; F428-L430 PolarHBondContact O-N 3.41Å; L430-E432 PolarHBondContact O-N 3.02Å
431	A	98.4	Very high	98.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.069	C	C	.	.	I	π-helix	trans	-68.2	-34.6	-174.7	0	0	0	0	0	113.3	D80 S427 F428 K435	D80-A431 HydrophobicContact CB-CB 3.93Å; D80-A431 WeakPolarHBondContact O-CB 3.38Å; S427-A431 PolarHBondContact O-N 3.16Å; F428-A431 PolarHBondContact O-N 2.87Å; A431-K435 WeakPolarHBondContact O-CB 3.23Å; A431-K435 VanDerWaalsContact O-CD 3.25Å; A431-K435 WeakPolarHBondContact O-CD 3.29Å; A431-K435 WeakPolarHBondContact O-CE 3.15Å; A431-K435 PolarHBondContact O-NZ 3.11Å
432	E	98.8	Very high	98.2	Very high	12 Å²	12	12.7 Å²	12.7	6%	0.056	6%	0.059	C	C	.	.	I	π-helix	trans	-122	-64.5	-167.2	-51.1	-161.7	-95	0	0	111.9	P371 F428 L430 V434 K435 Y436 T475 A477	P371-E432 HydrophobicContact CB-CB 3.47Å; P371-E432 VanDerWaalsContact CB-CB 3.47Å; P371-E432 HydrophobicContact CG-CB 3.6Å; P371-E432 HydrophobicContact CG-CG 4.27Å; P371-E432 WeakPolarHBondContact CG-OE1 3.43Å; F428-E432 HydrophobicContact CB-CG 4.07Å; F428-E432 WeakPolarHBondContact CB-OE1 3.46Å; F428-E432 WeakPolarHBondContact O-CA 3.13Å; F428-E432 VanDerWaalsContact O-CB 3.3Å; F428-E432 WeakPolarHBondContact O-CB 3.46Å; F428-E432 PolarHBondContact O-N 3.29Å; L430-E432 PolarHBondContact O-N 3.02Å; E432-V434 PolarHBondContact O-N 3.39Å; E432-K435 PolarHBondContact O-N 3.4Å; E432-K435 VanDerWaalsContact O-N 3.15Å; E432-Y436 HydrophobicContact CB-CD2 4.27Å; E432-Y436 HydrophobicContact CB-CE2 4.15Å; E432-Y436 WeakPolarHBondContact O-CB 3.29Å; E432-Y436 WeakPolarHBondContact O-CD2 3.16Å; E432-Y436 PolarHBondContact O-N 2.99Å; E432-T475 VanDerWaalsContact OE2-O 3.05Å; E432-A477 HydrophobicContact CB-CB 4Å; E432-A477 HydrophobicContact CG-CB 3.72Å
433	T	98.8	Very high	98	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.061	C	C	.	.	I	π-helix	trans	-58.1	-50.4	-171.3	-67.5	0	0	0	0	111	L369 P371 I374 I400 F428 F429 L437	L369-T433 PolarHBondContact O-OG1 3.02Å; P371-T433 VanDerWaalsContact CA-OG1 3.3Å; P371-T433 WeakPolarHBondContact CA-OG1 3.43Å; P371-T433 WeakPolarHBondContact CB-OG1 3.49Å; I374-T433 HydrophobicContact CD1-CG2 3.76Å; I400-T433 HydrophobicContact CD1-CG2 4.04Å; F428-T433 PolarHBondContact O-N 3.21Å; F429-T433 HydrophobicContact CD2-CG2 3.84Å; F429-T433 HydrophobicContact CE2-CG2 3.83Å; T433-L437 HydrophobicContact CG2-CD1 4.33Å; T433-L437 WeakPolarHBondContact O-CB 3.36Å; T433-L437 VanDerWaalsContact O-CG 3.3Å; T433-L437 WeakPolarHBondContact O-CG 3.38Å; T433-L437 PolarHBondContact O-N 3.47Å; T433-L437 VanDerWaalsContact O-N 3.13Å
434	V	98.8	Very high	97.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-70.2	-38.9	178.8	173.7	0	0	0	0	111.6	V39 F43 F429 E432 Y438	V39-V434 HydrophobicContact CG1-CG1 3.77Å; V39-V434 VanDerWaalsContact CG1-O 3.31Å; V39-V434 WeakPolarHBondContact CG1-O 3.42Å; F43-V434 HydrophobicContact CB-CG1 3.66Å; F43-V434 HydrophobicContact CD2-CB 4.44Å; F43-V434 HydrophobicContact CD2-CG1 3.74Å; F43-V434 HydrophobicContact CG-CG1 4.17Å; F429-V434 HydrophobicContact CD1-CG2 4.39Å; F429-V434 HydrophobicContact CD2-CG2 4.43Å; F429-V434 HydrophobicContact CE1-CG2 3.95Å; F429-V434 HydrophobicContact CE2-CG2 4.02Å; F429-V434 HydrophobicContact CZ-CG2 3.77Å; F429-V434 WeakPolarHBondContact O-CB 3.05Å; F429-V434 VanDerWaalsContact O-CG2 3.3Å; F429-V434 WeakPolarHBondContact O-CG2 3.45Å; F429-V434 PolarHBondContact O-N 3.29Å; E432-V434 PolarHBondContact O-N 3.39Å; V434-Y438 WeakPolarHBondContact O-CB 3.18Å; V434-Y438 PolarHBondContact O-N 3.37Å
435	K	98.9	Very high	97.8	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61	-50.9	177.6	-176	-175.5	-68.7	156.1	0	111.8	D83 T84 I87 A431 E432 Y438 L439 F473 A477	D83-K435 VanDerWaalsContact OD1-CE 3.26Å; D83-K435 WeakPolarHBondContact OD1-CE 3.49Å; D83-K435 IonicContact OD1-NZ 3.91Å; D83-K435 PolarHBondContact OD1-NZ 3.18Å; D83-K435 IonicContact OD2-NZ 3.34Å; D83-K435 PolarHBondContact OD2-NZ 2.73Å; T84-K435 HydrophobicContact CG2-CB 4.11Å; T84-K435 WeakPolarHBondContact OG1-CE 3.38Å; T84-K435 PolarHBondContact OG1-NZ 2.72Å; I87-K435 HydrophobicContact CD1-CD 3.65Å; I87-K435 HydrophobicContact CD1-CG 3.78Å; A431-K435 WeakPolarHBondContact O-CB 3.23Å; A431-K435 VanDerWaalsContact O-CD 3.25Å; A431-K435 WeakPolarHBondContact O-CD 3.29Å; A431-K435 WeakPolarHBondContact O-CE 3.15Å; A431-K435 PolarHBondContact O-NZ 3.11Å; E432-K435 PolarHBondContact O-N 3.4Å; E432-K435 VanDerWaalsContact O-N 3.15Å; K435-Y438 PolarHBondContact O-N 3.08Å; K435-L439 HydrophobicContact CG-CD1 4.05Å; K435-L439 WeakPolarHBondContact O-CB 3.46Å; K435-L439 VanDerWaalsContact O-CG 3.31Å; K435-L439 WeakPolarHBondContact O-CG 3.21Å; K435-L439 PolarHBondContact O-N 3.41Å; K435-F473 HydrophobicContact CD-CE1 4.1Å; K435-A477 HydrophobicContact CD-CB 4Å; K435-A477 VanDerWaalsContact CD-O 3.26Å; K435-A477 WeakPolarHBondContact CD-O 3.46Å; K435-A477 WeakPolarHBondContact CE-O 3.18Å; K435-A477 PolarHBondContact NZ-O 3.1Å
436	Y	98.9	Very high	97.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-67.9	-37.7	-180	-68.7	-52.5	0	0	0	112.5	P371 E375 M378 E432 Y438 L439 L440 F473 A477	P371-Y436 HydrophobicContact CB-CD2 4.17Å; P371-Y436 HydrophobicContact CB-CE2 4.49Å; E375-Y436 HydrophobicContact CB-CD2 3.72Å; E375-Y436 HydrophobicContact CB-CE1 4.48Å; E375-Y436 HydrophobicContact CB-CE2 3.64Å; E375-Y436 HydrophobicContact CB-CG 4.17Å; E375-Y436 HydrophobicContact CG-CD1 4.47Å; E375-Y436 HydrophobicContact CG-CD2 4.26Å; E375-Y436 HydrophobicContact CG-CE1 4.03Å; E375-Y436 HydrophobicContact CG-CE2 3.78Å; M378-Y436 HydrophobicContact CE-CD1 3.73Å; M378-Y436 HydrophobicContact CE-CE1 3.86Å; E432-Y436 HydrophobicContact CB-CD2 4.27Å; E432-Y436 HydrophobicContact CB-CE2 4.15Å; E432-Y436 WeakPolarHBondContact O-CB 3.29Å; E432-Y436 WeakPolarHBondContact O-CD2 3.16Å; E432-Y436 PolarHBondContact O-N 2.99Å; Y436-Y438 VanDerWaalsContact C-N 3.34Å; Y436-Y438 PolarHBondContact O-N 3.29Å; Y436-L439 PolarHBondContact O-N 2.92Å; Y436-L440 VanDerWaalsContact O-CB 3.27Å; Y436-L440 WeakPolarHBondContact O-CB 3.48Å; Y436-L440 PolarHBondContact O-N 2.88Å; Y436-F473 HydrophobicContact CE1-CD1 4.48Å; Y436-F473 HydrophobicContact CE1-CG 4.45Å; Y436-A477 HydrophobicContact CD2-CB 4.36Å; Y436-A477 HydrophobicContact CE1-CB 4.14Å; Y436-A477 HydrophobicContact CE2-CB 3.49Å; Y436-A477 VanDerWaalsContact CE2-CB 3.49Å; Y436-A477 WeakPolarHBondContact OH-CA 3.45Å; Y436-A477 VanDerWaalsContact OH-CB 3.25Å; Y436-A477 WeakPolarHBondContact OH-CB 3.44Å
437	L	98.8	Very high	97.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-59.5	-45.7	170.8	-78.9	172.2	0	0	0	111.3	V39 I374 A396 V397 T433 L439 L440 F441	V39-L437 HydrophobicContact CB-CB 4.48Å; V39-L437 HydrophobicContact CG1-CB 3.82Å; V39-L437 HydrophobicContact CG2-CB 3.75Å; V39-L437 HydrophobicContact CG2-CD1 4.39Å; I374-L437 HydrophobicContact CD1-CD1 4.21Å; I374-L437 HydrophobicContact CD1-CD2 4.23Å; I374-L437 HydrophobicContact CD1-CG 4.08Å; I374-L437 HydrophobicContact CG1-CD2 4.29Å; I374-L437 HydrophobicContact CG2-CB 4.37Å; I374-L437 HydrophobicContact CG2-CD2 3.76Å; I374-L437 HydrophobicContact CG2-CG 3.63Å; A396-L437 HydrophobicContact CB-CD2 4.14Å; V397-L437 HydrophobicContact CG2-CD1 3.94Å; V397-L437 HydrophobicContact CG2-CD2 4.11Å; T433-L437 HydrophobicContact CG2-CD1 4.33Å; T433-L437 WeakPolarHBondContact O-CB 3.36Å; T433-L437 VanDerWaalsContact O-CG 3.3Å; T433-L437 WeakPolarHBondContact O-CG 3.38Å; T433-L437 PolarHBondContact O-N 3.47Å; T433-L437 VanDerWaalsContact O-N 3.13Å; L437-L439 PolarHBondContact O-N 3.5Å; L437-L440 PolarHBondContact O-N 2.82Å; L437-F441 HydrophobicContact CD2-CE2 4.31Å; L437-F441 WeakPolarHBondContact O-CD2 3.44Å; L437-F441 PolarHBondContact O-N 3.23Å
438	Y	98.9	Very high	97.7	Very high	17 Å²	17	16.1 Å²	16.1	7%	0.067	9%	0.089	C	C	.	.	H	α-helix	trans	-62.8	-46.1	-179.9	-173.4	-88.9	0	0	0	110.8	R36 V39 K40 I87 L88 V434 K435 Y436 L440 F441 D442	R36-Y438 HydrophobicContact CG-CD2 3.76Å; R36-Y438 HydrophobicContact CG-CE2 3.39Å; R36-Y438 HydrophobicContact CG-CG 4.49Å; V39-Y438 HydrophobicContact CG1-CD2 4.48Å; K40-Y438 HydrophobicContact CB-CE2 4.31Å; I87-Y438 HydrophobicContact CG2-CD1 3.98Å; I87-Y438 HydrophobicContact CG2-CE1 4.4Å; I87-Y438 VanDerWaalsContact O-CE1 3.3Å; I87-Y438 WeakPolarHBondContact O-CE1 3.36Å; L88-Y438 HydrophobicContact CD1-CD1 3.91Å; L88-Y438 HydrophobicContact CD1-CD2 3.97Å; L88-Y438 HydrophobicContact CD1-CE1 4.38Å; L88-Y438 HydrophobicContact CD1-CE2 4.42Å; L88-Y438 HydrophobicContact CD1-CG 3.69Å; L88-Y438 HydrophobicContact CG-CD2 3.91Å; L88-Y438 HydrophobicContact CG-CE2 4.02Å; L88-Y438 HydrophobicContact CG-CG 4.16Å; V434-Y438 WeakPolarHBondContact O-CB 3.18Å; V434-Y438 PolarHBondContact O-N 3.37Å; K435-Y438 PolarHBondContact O-N 3.08Å; Y436-Y438 VanDerWaalsContact C-N 3.34Å; Y436-Y438 PolarHBondContact O-N 3.29Å; Y438-L440 VanDerWaalsContact C-N 3.35Å; Y438-L440 PolarHBondContact O-N 3.04Å; Y438-F441 CarbonylContact O-C 3.55Å; Y438-F441 PolarHBondContact O-N 3.49Å; Y438-D442 HydrophobicContact CD1-CB 4.25Å; Y438-D442 HydrophobicContact CE1-CB 4Å; Y438-D442 VanDerWaalsContact O-CB 3.28Å; Y438-D442 WeakPolarHBondContact O-CB 3.29Å; Y438-D442 PolarHBondContact O-N 2.96Å
439	L	98.7	Very high	97.4	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.01	9%	0.09	C	C	.	.	H	α-helix	trans	-66.1	-32.9	178.4	-71.7	173.5	0	0	0	113.5	I87 M378 K435 Y436 L437 F441 D442 N445 I447 H448 F473	I87-L439 HydrophobicContact CG2-CD2 3.77Å; I87-L439 HydrophobicContact CG2-CG 4.1Å; M378-L439 HydrophobicContact CG-CB 4.04Å; K435-L439 HydrophobicContact CG-CD1 4.05Å; K435-L439 WeakPolarHBondContact O-CB 3.46Å; K435-L439 VanDerWaalsContact O-CG 3.31Å; K435-L439 WeakPolarHBondContact O-CG 3.21Å; K435-L439 PolarHBondContact O-N 3.41Å; Y436-L439 PolarHBondContact O-N 2.92Å; L437-L439 PolarHBondContact O-N 3.5Å; L439-F441 VanDerWaalsContact C-N 3.31Å; L439-D442 PolarHBondContact O-N 2.97Å; L439-N445 HydrophobicContact CD2-CB 3.87Å; L439-I447 HydrophobicContact CD1-CG2 4.05Å; L439-I447 HydrophobicContact CD2-CB 3.86Å; L439-I447 HydrophobicContact CD2-CG1 4.15Å; L439-I447 HydrophobicContact CD2-CG2 3.95Å; L439-H448 PolarHBondContact O-NE2 3.03Å; L439-F473 HydrophobicContact CD1-CE1 4.41Å; L439-F473 HydrophobicContact CD1-CZ 3.72Å
440	L	98.6	Very high	96.9	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-62.8	-39.7	173.5	174.1	63.9	0	0	0	111.1	A377 M378 Y381 L390 Y436 L437 Y438	A377-L440 HydrophobicContact CB-CD2 4.37Å; M378-L440 HydrophobicContact CB-CB 4.31Å; M378-L440 HydrophobicContact CG-CB 4.43Å; Y381-L440 HydrophobicContact CD1-CD1 3.83Å; Y381-L440 HydrophobicContact CG-CD1 3.8Å; L390-L440 HydrophobicContact CD2-CD1 3.94Å; L390-L440 HydrophobicContact CD2-CG 4.01Å; Y436-L440 VanDerWaalsContact O-CB 3.27Å; Y436-L440 WeakPolarHBondContact O-CB 3.48Å; Y436-L440 PolarHBondContact O-N 2.88Å; L437-L440 PolarHBondContact O-N 2.82Å; Y438-L440 VanDerWaalsContact C-N 3.35Å; Y438-L440 PolarHBondContact O-N 3.04Å
441	F	98.5	Very high	96.4	Very high	2 Å²	2	21 Å²	21	1%	0.009	12%	0.12	C	C	.	.	H	α-helix	trans	-90.4	-7.7	179.8	-64.7	-57	0	0	0	114.9	P32 Y35 R36 V39 L390 G393 V397 L437 Y438 L439 P443	P32-F441 HydrophobicContact CB-CB 4.39Å; P32-F441 HydrophobicContact CB-CD1 4.2Å; P32-F441 WeakPolarHBondContact CB-O 3.4Å; Y35-F441 HydrophobicContact CD1-CZ 4.42Å; Y35-F441 HydrophobicContact CD2-CE1 4.48Å; Y35-F441 HydrophobicContact CG-CE1 4.24Å; Y35-F441 HydrophobicContact CG-CE2 4.29Å; Y35-F441 AromaticContact CG-CZ 3.93Å; Y35-F441 HydrophobicContact CG-CZ 3.93Å; R36-F441 HydrophobicContact CB-CB 3.92Å; V39-F441 HydrophobicContact CG2-CD2 4.12Å; V39-F441 HydrophobicContact CG2-CE2 4.28Å; L390-F441 HydrophobicContact CD2-CD1 3.96Å; L390-F441 HydrophobicContact CD2-CE1 4.04Å; G393-F441 VanDerWaalsContact C-CZ 3.41Å; V397-F441 HydrophobicContact CG2-CE2 4.17Å; L437-F441 HydrophobicContact CD2-CE2 4.31Å; L437-F441 WeakPolarHBondContact O-CD2 3.44Å; L437-F441 PolarHBondContact O-N 3.23Å; Y438-F441 CarbonylContact O-C 3.55Å; Y438-F441 PolarHBondContact O-N 3.49Å; L439-F441 VanDerWaalsContact C-N 3.31Å; F441-P443 VanDerWaalsContact C-CD 3.49Å; F441-P443 VanDerWaalsContact O-CD 3.31Å; F441-P443 WeakPolarHBondContact O-CD 3.45Å
442	D	97.7	Very high	95.9	Very high	11 Å²	11	25.2 Å²	25.2	6%	0.059	15%	0.149	C	C	.	.			trans	-118	71.6	178.4	-166.7	25.9	0	0	0	112	R36 Y438 L439 T444 N445 H448	R36-D442 HydrophobicContact CG-CB 4.38Å; R36-D442 IonicContact NH1-OD1 2.79Å; R36-D442 PolarHBondContact NH1-OD1 3.05Å; Y438-D442 HydrophobicContact CD1-CB 4.25Å; Y438-D442 HydrophobicContact CE1-CB 4Å; Y438-D442 VanDerWaalsContact O-CB 3.28Å; Y438-D442 WeakPolarHBondContact O-CB 3.29Å; Y438-D442 PolarHBondContact O-N 2.96Å; L439-D442 PolarHBondContact O-N 2.97Å; D442-T444 PolarHBondContact O-N 2.79Å; D442-T444 PolarHBondContact OD1-OG1 3.46Å; D442-N445 HydrophobicContact CB-CB 4.27Å; D442-N445 VanDerWaalsContact O-CB 3.31Å; D442-N445 WeakPolarHBondContact O-CB 3.24Å; D442-N445 PolarHBondContact O-N 3.26Å; D442-N445 WeakPolarHBondContact OD2-CB 3.26Å; D442-N445 PolarHBondContact OD2-ND2 3.03Å; D442-H448 PolarHBondContact O-CD2 2.93Å; D442-H448 VanDerWaalsContact O-CD2 3.23Å
443	P	93.1	Very high	95.5	Very high	60 Å²	60	28.9 Å²	28.9	39%	0.39	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-13.1	-174.6	28.1	-36.7	0	0	0	114.1	R382 F441	R382-P443 PolarHBondContact NH1-O 3.32Å; F441-P443 VanDerWaalsContact C-CD 3.49Å; F441-P443 VanDerWaalsContact O-CD 3.31Å; F441-P443 WeakPolarHBondContact O-CD 3.45Å
444	T	94.4	Very high	95.3	Very high	121 Å²	121	34.3 Å²	34.3	74%	0.742	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.5	1	177.7	51.6	0	0	0	0	113.9	D442	D442-T444 PolarHBondContact O-N 2.79Å; D442-T444 PolarHBondContact OD1-OG1 3.46Å
445	N	96.9	Very high	94.9	Very high	12 Å²	12	38 Å²	38	6%	0.064	22%	0.216	C	C	.	.	S	Bend	trans	-56.6	147.7	178.6	-161.1	-81.4	0	0	0	111.5	I87 L439 D442 I447 H448	I87-N445 PolarHBondContact O-ND2 3.4Å; I87-N445 VanDerWaalsContact O-ND2 3.11Å; L439-N445 HydrophobicContact CD2-CB 3.87Å; D442-N445 HydrophobicContact CB-CB 4.27Å; D442-N445 VanDerWaalsContact O-CB 3.31Å; D442-N445 WeakPolarHBondContact O-CB 3.24Å; D442-N445 PolarHBondContact O-N 3.26Å; D442-N445 WeakPolarHBondContact OD2-CB 3.26Å; D442-N445 PolarHBondContact OD2-ND2 3.03Å; N445-I447 PolarHBondContact O-N 3.21Å; N445-I447 WeakPolarHBondContact OD1-CB 3.36Å; N445-I447 WeakPolarHBondContact OD1-CG1 3.38Å; N445-I447 PolarHBondContact OD1-N 3.49Å; N445-I447 VanDerWaalsContact OD1-N 3.15Å; N445-H448 WeakPolarHBondContact O-CB 3.3Å; N445-H448 PolarHBondContact O-N 3.4Å
446	F	95.6	Very high	94.6	Very high	45 Å²	45	41.2 Å²	41.2	20%	0.197	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-62.5	-26.8	-178.5	74.5	-93.8	0	0	0	113.1	L86 I87 L132 K135 H448 N449 Y471	L86-F446 HydrophobicContact CD2-CZ 4.12Å; L86-F446 HydrophobicContact CG-CE1 4.31Å; L86-F446 HydrophobicContact CG-CZ 4.23Å; I87-F446 HydrophobicContact CG1-CE1 4.49Å; I87-F446 HydrophobicContact CG1-CZ 4.26Å; L132-F446 HydrophobicContact CD2-CE2 3.83Å; L132-F446 HydrophobicContact CD2-CZ 4.11Å; K135-F446 HydrophobicContact CD-CD1 4.37Å; K135-F446 HydrophobicContact CD-CD2 3.69Å; K135-F446 HydrophobicContact CD-CE1 4.4Å; K135-F446 HydrophobicContact CD-CE2 3.73Å; K135-F446 HydrophobicContact CD-CG 4.03Å; K135-F446 HydrophobicContact CD-CZ 4.1Å; F446-H448 PolarHBondContact O-N 3.05Å; F446-N449 WeakPolarHBondContact O-CB 3.32Å; F446-N449 PolarHBondContact O-N 2.75Å; F446-Y471 HydrophobicContact CD2-CE2 4.31Å
447	I	96.6	Very high	94.2	Very high	8 Å²	8	41.5 Å²	41.5	4%	0.041	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-56.9	-33.2	173.3	-70.6	-62.6	0	0	0	111.1	I87 L439 N445 N449 Y471 F473 P479	I87-I447 HydrophobicContact CD1-CD1 4.18Å; I87-I447 HydrophobicContact CD1-CG1 4.06Å; I87-I447 HydrophobicContact CG1-CD1 4.18Å; I87-I447 HydrophobicContact CG1-CG1 3.87Å; L439-I447 HydrophobicContact CD1-CG2 4.05Å; L439-I447 HydrophobicContact CD2-CB 3.86Å; L439-I447 HydrophobicContact CD2-CG1 4.15Å; L439-I447 HydrophobicContact CD2-CG2 3.95Å; N445-I447 PolarHBondContact O-N 3.21Å; N445-I447 WeakPolarHBondContact OD1-CB 3.36Å; N445-I447 WeakPolarHBondContact OD1-CG1 3.38Å; N445-I447 PolarHBondContact OD1-N 3.49Å; N445-I447 VanDerWaalsContact OD1-N 3.15Å; I447-N449 PolarHBondContact O-N 2.91Å; I447-Y471 HydrophobicContact CD1-CD2 4.29Å; I447-Y471 HydrophobicContact CD1-CE2 4.47Å; I447-Y471 HydrophobicContact CD1-CG 4.35Å; I447-Y471 WeakPolarHBondContact O-CD2 3.39Å; I447-F473 HydrophobicContact CG2-CE2 3.78Å; I447-F473 HydrophobicContact CG2-CZ 3.5Å; I447-P479 HydrophobicContact CD1-CB 4Å; I447-P479 HydrophobicContact CD1-CG 3.91Å
448	H	95.7	Very high	93.7	Very high	33 Å²	33	48.6 Å²	48.6	15%	0.153	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-85.6	11.6	179.3	-61.3	-49.1	0	0	0	113.8	R382 L439 D442 N445 F446 N450	R382-H448 VanDerWaalsContact CD-CE1 3.49Å; R382-H448 WeakPolarHBondContact CD-CE1 3.37Å; R382-H448 WeakPolarHBondContact CD-ND1 3.39Å; R382-H448 VanDerWaalsContact NH1-CG 3.29Å; L439-H448 PolarHBondContact O-NE2 3.03Å; D442-H448 PolarHBondContact O-CD2 2.93Å; D442-H448 VanDerWaalsContact O-CD2 3.23Å; N445-H448 WeakPolarHBondContact O-CB 3.3Å; N445-H448 PolarHBondContact O-N 3.4Å; F446-H448 PolarHBondContact O-N 3.05Å; H448-N450 PolarHBondContact O-N 2.71Å
449	N	92.9	Very high	93	Very high	17 Å²	17	48.2 Å²	48.2	9%	0.091	27%	0.274	C	S	.	.			trans	-56.9	139.4	179	-174.6	17.3	0	0	0	110.6	F446 I447 G451 S452 T453 G467 G469 G470	F446-N449 WeakPolarHBondContact O-CB 3.32Å; F446-N449 PolarHBondContact O-N 2.75Å; I447-N449 PolarHBondContact O-N 2.91Å; N449-G451 PolarHBondContact OD1-N 3.49Å; N449-S452 PolarHBondContact OD1-N 2.78Å; N449-S452 PolarHBondContact OD1-OG 2.69Å; N449-T453 PolarHBondContact ND2-O 3.26Å; N449-T453 PolarHBondContact ND2-OG1 2.77Å; N449-T453 VanDerWaalsContact ND2-OG1 3.1Å; N449-T453 PolarHBondContact OD1-N 3.44Å; N449-T453 PolarHBondContact OD1-OG1 3.45Å; N449-G467 PolarHBondContact ND2-O 3.29Å; N449-G469 VanDerWaalsContact O-CA 3.28Å; N449-G469 WeakPolarHBondContact O-CA 3.48Å; N449-G470 PolarHBondContact O-N 2.89Å
450	N	87.3	Confident	92.1	Very high	80 Å²	80	52.5 Å²	52.5	43%	0.428	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-114.5	31.2	-174.2	64.7	-0.9	0	0	0	112	H448 S452 L569	H448-N450 PolarHBondContact O-N 2.71Å; N450-S452 PolarHBondContact O-N 3Å; N450-S452 WeakPolarHBondContact OD1-CB 3.41Å; N450-S452 PolarHBondContact OD1-N 3.25Å; N450-S452 PolarHBondContact OD1-OG 3.47Å; N450-L569 HydrophobicContact CB-CD1 3.68Å; N450-L569 HydrophobicContact CB-CD2 3.25Å; N450-L569 HydrophobicContact CB-CG 3.98Å; N450-L569 WeakPolarHBondContact O-CD1 3.43Å
451	G	88.3	Confident	90.9	Very high	19 Å²	19	58 Å²	58	20%	0.196	32%	0.322	C	S	.	.	S	Bend	trans	72.9	9.5	-176.5	0	0	0	0	0	114.3	N449 A468	N449-G451 PolarHBondContact OD1-N 3.49Å; G451-A468 WeakPolarHBondContact CA-O 3.43Å; G451-A468 PolarHBondContact N-O 3.12Å
452	S	88.1	Confident	90	Very high	88 Å²	88	59.1 Å²	59.1	62%	0.615	34%	0.335	S	S	*	.	S	Bend	trans	-76	-26.9	175.5	55.1	0	0	0	0	112.7	N449 N450	N449-S452 PolarHBondContact OD1-N 2.78Å; N449-S452 PolarHBondContact OD1-OG 2.69Å; N450-S452 PolarHBondContact O-N 3Å; N450-S452 WeakPolarHBondContact OD1-CB 3.41Å; N450-S452 PolarHBondContact OD1-N 3.25Å; N450-S452 PolarHBondContact OD1-OG 3.47Å
453	T	91.1	Very high	89.6	Confident	90 Å²	90	64 Å²	64	55%	0.552	36%	0.358	S	S	*	.	S	Bend	trans	-127.1	154.9	174.4	60.1	0	0	0	0	109.6	N449 A468	N449-T453 PolarHBondContact ND2-O 3.26Å; N449-T453 PolarHBondContact ND2-OG1 2.77Å; N449-T453 VanDerWaalsContact ND2-OG1 3.1Å; N449-T453 PolarHBondContact OD1-N 3.44Å; N449-T453 PolarHBondContact OD1-OG1 3.45Å; T453-A468 WeakPolarHBondContact O-CA 3.46Å
454	F	93.1	Very high	89.4	Confident	113 Å²	113	61.2 Å²	61.2	50%	0.496	34%	0.339	S	S	.	.			trans	-158.3	159.8	177	59.3	-93.5	0	0	0	109.8	I465 A468	F454-I465 HydrophobicContact CB-CG2 3.76Å; F454-I465 HydrophobicContact CD2-CG2 3.65Å; F454-I465 HydrophobicContact CE2-CG2 4.43Å; F454-I465 HydrophobicContact CG-CG2 3.79Å; F454-A468 HydrophobicContact CB-CB 4.09Å
455	D	91.8	Very high	89.3	Confident	78 Å²	78	59.7 Å²	59.7	42%	0.417	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	122.4	177.4	-65.8	-49.5	0	0	0	109.7	L466	D455-L466 PolarHBondContact N-O 3.1Å; D455-L466 PolarHBondContact O-N 3.06Å
456	T	91.6	Very high	89.1	Confident	68 Å²	68	59.4 Å²	59.4	42%	0.417	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.2	171.7	-69.3	0	0	0	0	109.9	E463	T456-E463 HydrophobicContact CG2-CG 3.63Å; T456-E463 WeakPolarHBondContact CG2-OE1 3.14Å
457	V	90.9	Very high	88.9	Confident	5 Å²	5	57.7 Å²	57.7	3%	0.03	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	116.6	178.4	179.8	0	0	0	0	110.3	K134 W144 T459 C464 L466	K134-V457 HydrophobicContact CD-CG2 3.88Å; W144-V457 HydrophobicContact CE3-CG1 4.01Å; W144-V457 HydrophobicContact CZ3-CB 4.33Å; W144-V457 HydrophobicContact CZ3-CG1 3.99Å; W144-V457 HydrophobicContact CZ3-CG2 3.93Å; V457-T459 HydrophobicContact CG1-CG2 4.2Å; V457-C464 HydrophobicContact CB-CB 4.36Å; V457-C464 PolarHBondContact N-O 3.4Å; V457-C464 PolarHBondContact O-N 3.13Å; V457-L466 HydrophobicContact CB-CD1 4.26Å; V457-L466 HydrophobicContact CG2-CD1 4.05Å
458	I	87.9	Confident	88.5	Confident	149 Å²	149	58.2 Å²	58.2	76%	0.764	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	117.7	175.5	-55.9	175.6	0	0	0	107.7
459	T	85.1	Confident	88.2	Confident	10 Å²	10	57.2 Å²	57.2	6%	0.061	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	163.4	173.8	75.7	0	0	0	0	109.5	W144 V457 Y461 G462	W144-T459 VanDerWaalsContact O-CG2 3.28Å; W144-T459 WeakPolarHBondContact O-CG2 3.29Å; V457-T459 HydrophobicContact CG1-CG2 4.2Å; T459-Y461 PolarHBondContact O-N 3.34Å; T459-Y461 PolarHBondContact OG1-N 3.03Å; T459-G462 PolarHBondContact N-O 3.33Å; T459-G462 PolarHBondContact O-N 3.46Å; T459-G462 PolarHBondContact OG1-N 3.26Å; T459-G462 VanDerWaalsContact OG1-N 3.1Å; T459-G462 PolarHBondContact OG1-O 2.73Å
460	P	80	Confident	87.9	Confident	91 Å²	91	57.4 Å²	57.4	59%	0.591	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-18.7	170.4	-27.8	34.9	0	0	0	114.3	A142	A142-P460 HydrophobicContact CB-CG 4.18Å; A142-P460 WeakPolarHBondContact O-CD 3.39Å
461	Y	72.1	Confident	88.3	Confident	117 Å²	117	54.9 Å²	54.9	46%	0.459	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-12.6	-173.2	-48	-66.5	0	0	0	112.4	T459 L491	T459-Y461 PolarHBondContact O-N 3.34Å; T459-Y461 PolarHBondContact OG1-N 3.03Å; Y461-L491 VanDerWaalsContact C-CD2 3.42Å; Y461-L491 HydrophobicContact CD2-CD1 4.26Å; Y461-L491 HydrophobicContact CG-CD1 4.26Å; Y461-L491 WeakPolarHBondContact O-CD2 3.49Å
462	G	80.6	Confident	88.8	Confident	27 Å²	27	54.9 Å²	54.9	28%	0.278	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	148.6	-176.7	179.3	0	0	0	0	0	113.1	T459	T459-G462 PolarHBondContact N-O 3.33Å; T459-G462 PolarHBondContact O-N 3.46Å; T459-G462 PolarHBondContact OG1-N 3.26Å; T459-G462 VanDerWaalsContact OG1-N 3.1Å; T459-G462 PolarHBondContact OG1-O 2.73Å
463	E	87.9	Confident	89.3	Confident	113 Å²	113	51 Å²	51	53%	0.528	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	126.2	175.1	-168.1	179.8	173.3	0	0	110.5	T456 R490	T456-E463 HydrophobicContact CG2-CG 3.63Å; T456-E463 WeakPolarHBondContact CG2-OE1 3.14Å; E463-R490 PolarHBondContact O-NH2 2.64Å
464	C	90.1	Very high	89.7	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.007	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	135.5	167.8	-61.1	0	0	0	0	109.7	V457 L466 C487	V457-C464 HydrophobicContact CB-CB 4.36Å; V457-C464 PolarHBondContact N-O 3.4Å; V457-C464 PolarHBondContact O-N 3.13Å; C464-L466 HydrophobicContact CB-CD1 4.13Å; C464-L466 HydrophobicContact CB-CD2 4.15Å; C464-L466 HydrophobicContact CB-CG 3.92Å; C464-C487 WeakPolarHBondContact CA-SG 3.48Å; C464-C487 HydrophobicContact CB-CB 3.8Å; C464-C487 WeakPolarHBondContact CB-SG 3.18Å; C464-C487 WeakPolarHBondContact SG-CB 3.16Å; C464-C487 CovalentContact SG-SG 2.02Å; C464-C487 PolarHBondContact SG-SG 3.11Å
465	I	91.4	Very high	89.9	Confident	90 Å²	90	42.5 Å²	42.5	46%	0.462	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	114.4	167.6	-60.9	175.1	0	0	0	106.5	F454 A483	F454-I465 HydrophobicContact CB-CG2 3.76Å; F454-I465 HydrophobicContact CD2-CG2 3.65Å; F454-I465 HydrophobicContact CE2-CG2 4.43Å; F454-I465 HydrophobicContact CG-CG2 3.79Å; I465-A483 VanDerWaalsContact O-CB 3.31Å; I465-A483 WeakPolarHBondContact O-CB 3.41Å
466	L	93.6	Very high	90.2	Very high	5 Å²	5	39 Å²	39	3%	0.026	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	169.9	-173.6	-57.5	175.1	0	0	0	110.6	W144 P145 D455 V457 C464 A468 A483 A484	W144-L466 HydrophobicContact CE3-CD1 4.31Å; W144-L466 HydrophobicContact CH2-CD1 3.44Å; W144-L466 VanDerWaalsContact CH2-CD1 3.44Å; W144-L466 HydrophobicContact CZ3-CD1 3.27Å; P145-L466 HydrophobicContact CG-CD1 3.92Å; P145-L466 HydrophobicContact CG-CD2 4.45Å; D455-L466 PolarHBondContact N-O 3.1Å; D455-L466 PolarHBondContact O-N 3.06Å; V457-L466 HydrophobicContact CB-CD1 4.26Å; V457-L466 HydrophobicContact CG2-CD1 4.05Å; C464-L466 HydrophobicContact CB-CD1 4.13Å; C464-L466 HydrophobicContact CB-CD2 4.15Å; C464-L466 HydrophobicContact CB-CG 3.92Å; L466-A468 PolarHBondContact O-N 2.81Å; L466-A483 HydrophobicContact CD2-CB 4.22Å; L466-A484 HydrophobicContact CD2-CB 3.98Å
467	G	90.1	Very high	90.6	Very high	10 Å²	10	35.8 Å²	35.8	10%	0.103	20%	0.2	C	C	.	.			trans	63.5	18.1	175.4	0	0	0	0	0	113.4	N449 G469 D481	N449-G467 PolarHBondContact ND2-O 3.29Å; G467-G469 PolarHBondContact O-N 3.22Å; G467-D481 PolarHBondContact N-OD2 3.08Å
468	A	88.8	Confident	91	Very high	19 Å²	19	35.5 Å²	35.5	16%	0.157	20%	0.199	C	C	.	.			trans	-71.3	-1.3	175.7	0	0	0	0	0	112.4	G451 T453 F454 L466	G451-A468 WeakPolarHBondContact CA-O 3.43Å; G451-A468 PolarHBondContact N-O 3.12Å; T453-A468 WeakPolarHBondContact O-CA 3.46Å; F454-A468 HydrophobicContact CB-CB 4.09Å; L466-A468 PolarHBondContact O-N 2.81Å
469	G	88.6	Confident	91.5	Very high	12 Å²	12	28.5 Å²	28.5	12%	0.124	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	83.2	-165.8	-177.9	0	0	0	0	0	113	N449 G467 Y471	N449-G469 VanDerWaalsContact O-CA 3.28Å; N449-G469 WeakPolarHBondContact O-CA 3.48Å; G467-G469 PolarHBondContact O-N 3.22Å; G469-Y471 VanDerWaalsContact C-N 3.3Å
470	G	88.1	Confident	92.1	Very high	20 Å²	20	28.1 Å²	28.1	21%	0.206	16%	0.16	C	C	.	.			trans	67.7	32.5	-167.6	0	0	0	0	0	112.6	N449 I472 P482	N449-G470 PolarHBondContact O-N 2.89Å; G470-I472 PolarHBondContact O-N 3.15Å; G470-P482 WeakPolarHBondContact O-CD 3.47Å; G470-P482 VanDerWaalsContact O-CG 3.31Å; G470-P482 WeakPolarHBondContact O-CG 3.2Å
471	Y	95.8	Very high	92.9	Very high	27 Å²	27	24.2 Å²	24.2	11%	0.106	14%	0.135	C	C	.	.			trans	-56.3	136.3	175.4	-67.8	-88.1	0	0	0	110.5	F446 I447 G469 P479 I480 D481	F446-Y471 HydrophobicContact CD2-CE2 4.31Å; I447-Y471 HydrophobicContact CD1-CD2 4.29Å; I447-Y471 HydrophobicContact CD1-CE2 4.47Å; I447-Y471 HydrophobicContact CD1-CG 4.35Å; I447-Y471 WeakPolarHBondContact O-CD2 3.39Å; G469-Y471 VanDerWaalsContact C-N 3.3Å; Y471-P479 HydrophobicContact CD1-CB 4.06Å; Y471-P479 HydrophobicContact CG-CB 4.32Å; Y471-I480 WeakPolarHBondContact CA-O 3.3Å; Y471-D481 HydrophobicContact CD1-CB 4.13Å; Y471-D481 HydrophobicContact CE1-CB 3.85Å
472	I	97.9	Very high	93.9	Very high	19 Å²	19	20.2 Å²	20.2	10%	0.097	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	114.3	174.2	-55.6	-57.9	0	0	0	107.7	K266 I269 L270 G470 I480 P482	K266-I472 HydrophobicContact CB-CG2 3.86Å; K266-I472 HydrophobicContact CD-CG2 4.39Å; K266-I472 HydrophobicContact CG-CG2 4.39Å; I269-I472 HydrophobicContact CB-CD1 4.2Å; I269-I472 HydrophobicContact CG2-CD1 3.51Å; I269-I472 HydrophobicContact CG2-CG1 4.33Å; L270-I472 HydrophobicContact CB-CB 4.49Å; L270-I472 HydrophobicContact CB-CG1 4.23Å; L270-I472 HydrophobicContact CB-CG2 4.42Å; L270-I472 HydrophobicContact CD1-CB 4.38Å; L270-I472 HydrophobicContact CD1-CG1 4.26Å; G470-I472 PolarHBondContact O-N 3.15Å; I472-I480 PolarHBondContact N-O 3.2Å; I472-I480 WeakPolarHBondContact O-CB 3.48Å; I472-I480 PolarHBondContact O-N 3.01Å; I472-P482 HydrophobicContact CG1-CG 4Å
473	F	98.6	Very high	94.5	Very high	7 Å²	7	20 Å²	20	3%	0.031	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	131.9	174.4	-73.2	-80.8	0	0	0	110.2	K266 Y379 K435 Y436 L439 I447 A477 H478 P479	K266-F473 WeakPolarHBondContact CD-O 3.23Å; K266-F473 WeakPolarHBondContact CE-O 3.5Å; K266-F473 PolarHBondContact NZ-O 2.77Å; Y379-F473 WeakPolarHBondContact OH-CD2 3.24Å; K435-F473 HydrophobicContact CD-CE1 4.1Å; Y436-F473 HydrophobicContact CE1-CD1 4.48Å; Y436-F473 HydrophobicContact CE1-CG 4.45Å; L439-F473 HydrophobicContact CD1-CE1 4.41Å; L439-F473 HydrophobicContact CD1-CZ 3.72Å; I447-F473 HydrophobicContact CG2-CE2 3.78Å; I447-F473 HydrophobicContact CG2-CZ 3.5Å; F473-A477 VanDerWaalsContact CD1-C 3.48Å; F473-A477 HydrophobicContact CD1-CB 4.4Å; F473-A477 WeakPolarHBondContact CD1-O 3.14Å; F473-A477 WeakPolarHBondContact CE1-O 3.48Å; F473-H478 CarbonylContact C-O 3.42Å; F473-H478 WeakPolarHBondContact CA-O 3.41Å; F473-P479 HydrophobicContact CD1-CB 3.95Å; F473-P479 HydrophobicContact CD1-CG 4.46Å; F473-P479 HydrophobicContact CE1-CB 3.69Å; F473-P479 HydrophobicContact CE1-CG 3.98Å; F473-P479 HydrophobicContact CZ-CB 4.12Å
474	N	98.7	Very high	94.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.093	C	C	.	.			trans	-67.1	-176.8	164.6	88.6	-25.3	0	0	0	110.8	I120 V200 E201 Y263 K266 E476 A477 H478	I120-N474 PolarHBondContact O-ND2 3.34Å; V200-N474 HydrophobicContact CG1-CB 3.92Å; E201-N474 VanDerWaalsContact OE1-CB 3.29Å; E201-N474 WeakPolarHBondContact OE1-CB 3.31Å; E201-N474 PolarHBondContact OE1-ND2 3.23Å; Y263-N474 WeakPolarHBondContact OH-CB 3.35Å; K266-N474 PolarHBondContact NZ-O 3.24Å; N474-E476 PolarHBondContact O-N 3.44Å; N474-E476 VanDerWaalsContact OD1-C 3.27Å; N474-E476 WeakPolarHBondContact OD1-CA 3.24Å; N474-E476 PolarHBondContact OD1-N 2.89Å; N474-A477 PolarHBondContact O-N 3.39Å; N474-A477 PolarHBondContact OD1-N 3.17Å; N474-H478 PolarHBondContact N-O 2.64Å; N474-H478 WeakPolarHBondContact OD1-CA 3.47Å; N474-H478 VanDerWaalsContact OD1-CB 3.29Å; N474-H478 WeakPolarHBondContact OD1-CB 3.46Å; N474-H478 PolarHBondContact OD1-N 3.23Å
475	T	98.5	Very high	95	Very high	24 Å²	24	14.8 Å²	14.8	15%	0.147	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-12.3	-178.2	-159.8	0	0	0	0	113	I120 T197 S259 E262 Y263 E432	I120-T475 HydrophobicContact CB-CG2 3.87Å; I120-T475 HydrophobicContact CD1-CG2 3.93Å; I120-T475 HydrophobicContact CG1-CG2 4.47Å; I120-T475 HydrophobicContact CG2-CG2 3.58Å; T197-T475 HydrophobicContact CG2-CG2 3.81Å; S259-T475 WeakPolarHBondContact CB-OG1 3.5Å; E262-T475 VanDerWaalsContact OE1-CA 3.29Å; E262-T475 WeakPolarHBondContact OE1-CA 3.46Å; E262-T475 WeakPolarHBondContact OE2-CB 3.44Å; E262-T475 PolarHBondContact OE2-OG1 2.8Å; Y263-T475 HydrophobicContact CE1-CG2 4.19Å; Y263-T475 PolarHBondContact OH-N 2.79Å; E432-T475 VanDerWaalsContact OE2-O 3.05Å
476	E	98.7	Very high	94.9	Very high	5 Å²	5	15.6 Å²	15.6	2%	0.023	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	25.4	176.6	-158.9	71.8	-152.8	0	0	111.4	I120 R121 F428 N474 H478	I120-E476 HydrophobicContact CB-CB 4.19Å; I120-E476 WeakPolarHBondContact CD1-OE2 3.32Å; I120-E476 HydrophobicContact CG1-CB 4.29Å; I120-E476 WeakPolarHBondContact O-CB 3.28Å; R121-E476 HydrophobicContact CG-CG 3.99Å; R121-E476 IonicContact CZ-OE1 2.69Å; R121-E476 IonicContact CZ-OE2 2.67Å; R121-E476 IonicContact NH1-OE1 2.63Å; R121-E476 PolarHBondContact NH1-OE1 3.33Å; R121-E476 IonicContact NH1-OE2 2.94Å; R121-E476 IonicContact NH2-OE1 2.89Å; R121-E476 PolarHBondContact NH2-OE1 3.33Å; R121-E476 IonicContact NH2-OE2 3.23Å; R121-E476 PolarHBondContact NH2-OE2 3.19Å; R121-E476 VanDerWaalsContact NH2-OE2 3.17Å; F428-E476 WeakPolarHBondContact CB-OE1 3.18Å; N474-E476 PolarHBondContact O-N 3.44Å; N474-E476 VanDerWaalsContact OD1-C 3.27Å; N474-E476 WeakPolarHBondContact OD1-CA 3.24Å; N474-E476 PolarHBondContact OD1-N 2.89Å; E476-H478 PolarHBondContact O-N 3.18Å; E476-H478 VanDerWaalsContact O-N 3.12Å
477	A	98.7	Very high	94.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	56.3	27	-179.6	0	0	0	0	0	115.9	E432 K435 Y436 F473 N474 P479	E432-A477 HydrophobicContact CB-CB 4Å; E432-A477 HydrophobicContact CG-CB 3.72Å; K435-A477 HydrophobicContact CD-CB 4Å; K435-A477 VanDerWaalsContact CD-O 3.26Å; K435-A477 WeakPolarHBondContact CD-O 3.46Å; K435-A477 WeakPolarHBondContact CE-O 3.18Å; K435-A477 PolarHBondContact NZ-O 3.1Å; Y436-A477 HydrophobicContact CD2-CB 4.36Å; Y436-A477 HydrophobicContact CE1-CB 4.14Å; Y436-A477 HydrophobicContact CE2-CB 3.49Å; Y436-A477 VanDerWaalsContact CE2-CB 3.49Å; Y436-A477 WeakPolarHBondContact OH-CA 3.45Å; Y436-A477 VanDerWaalsContact OH-CB 3.25Å; Y436-A477 WeakPolarHBondContact OH-CB 3.44Å; F473-A477 VanDerWaalsContact CD1-C 3.48Å; F473-A477 HydrophobicContact CD1-CB 4.4Å; F473-A477 WeakPolarHBondContact CD1-O 3.14Å; F473-A477 WeakPolarHBondContact CE1-O 3.48Å; N474-A477 PolarHBondContact O-N 3.39Å; N474-A477 PolarHBondContact OD1-N 3.17Å; A477-P479 WeakPolarHBondContact O-CD 3.37Å
478	H	98.8	Very high	94.8	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.091	C	C	.	.			trans	-86	113.3	171.9	-62.8	-49.2	0	0	0	111.7	D80 D83 I120 G124 G125 F473 N474 E476	D80-H478 PolarHBondContact O-CE1 3.42Å; D80-H478 IonicContact OD1-NE2 2.98Å; D83-H478 IonicContact OD1-ND1 3.05Å; D83-H478 WeakPolarHBondContact OD2-CA 3.04Å; D83-H478 IonicContact OD2-CE1 2.82Å; D83-H478 IonicContact OD2-CG 2.61Å; D83-H478 IonicContact OD2-ND1 3.23Å; D83-H478 PolarHBondContact OD2-ND1 3.49Å; I120-H478 PolarHBondContact O-CD2 3.36Å; I120-H478 VanDerWaalsContact O-CD2 3.22Å; G124-H478 VanDerWaalsContact C-CD2 3.47Å; G125-H478 PolarHBondContact N-CD2 3.21Å; F473-H478 CarbonylContact C-O 3.42Å; F473-H478 WeakPolarHBondContact CA-O 3.41Å; N474-H478 PolarHBondContact N-O 2.64Å; N474-H478 WeakPolarHBondContact OD1-CA 3.47Å; N474-H478 VanDerWaalsContact OD1-CB 3.29Å; N474-H478 WeakPolarHBondContact OD1-CB 3.46Å; N474-H478 PolarHBondContact OD1-N 3.23Å; E476-H478 PolarHBondContact O-N 3.18Å; E476-H478 VanDerWaalsContact O-N 3.12Å
479	P	98.4	Very high	94.7	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.006	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	130.6	-178.1	29	-33.4	0	0	0	111.7	D83 I87 S128 L132 I447 Y471 F473 A477	D83-P479 WeakPolarHBondContact OD2-CD 3.24Å; I87-P479 HydrophobicContact CD1-CG 4.47Å; S128-P479 WeakPolarHBondContact CB-O 3.28Å; S128-P479 WeakPolarHBondContact OG-CD 3.19Å; S128-P479 WeakPolarHBondContact OG-CG 3.41Å; S128-P479 PolarHBondContact OG-O 3.36Å; L132-P479 HydrophobicContact CD1-CG 4.17Å; I447-P479 HydrophobicContact CD1-CB 4Å; I447-P479 HydrophobicContact CD1-CG 3.91Å; Y471-P479 HydrophobicContact CD1-CB 4.06Å; Y471-P479 HydrophobicContact CG-CB 4.32Å; F473-P479 HydrophobicContact CD1-CB 3.95Å; F473-P479 HydrophobicContact CD1-CG 4.46Å; F473-P479 HydrophobicContact CE1-CB 3.69Å; F473-P479 HydrophobicContact CE1-CG 3.98Å; F473-P479 HydrophobicContact CZ-CB 4.12Å; A477-P479 WeakPolarHBondContact O-CD 3.37Å
480	I	98.4	Very high	93.8	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.01	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.6	173.4	-55.9	-58.4	0	0	0	108.9	L127 L131 V200 T204 L270 Y471 I472 P482 L485	L127-I480 HydrophobicContact CB-CD1 4.07Å; L131-I480 HydrophobicContact CD1-CD1 4.22Å; L131-I480 HydrophobicContact CD1-CG2 3.97Å; V200-I480 HydrophobicContact CG1-CG1 4.28Å; T204-I480 HydrophobicContact CG2-CG2 4.05Å; L270-I480 HydrophobicContact CD1-CG2 4.02Å; L270-I480 HydrophobicContact CD2-CG2 4.38Å; Y471-I480 WeakPolarHBondContact CA-O 3.3Å; I472-I480 PolarHBondContact N-O 3.2Å; I472-I480 WeakPolarHBondContact O-CB 3.48Å; I472-I480 PolarHBondContact O-N 3.01Å; I480-P482 VanDerWaalsContact O-CD 3.31Å; I480-P482 WeakPolarHBondContact O-CD 3.49Å; I480-L485 HydrophobicContact CG2-CD1 3.73Å
481	D	96.2	Very high	92.5	Very high	10 Å²	10	20.7 Å²	20.7	5%	0.053	10%	0.102	C	C	.	.			trans	-85.7	110.1	174.8	-174.6	-11.9	0	0	0	110.3	G467 Y471 A483 A484 L485	G467-D481 PolarHBondContact N-OD2 3.08Å; Y471-D481 HydrophobicContact CD1-CB 4.13Å; Y471-D481 HydrophobicContact CE1-CB 3.85Å; D481-A483 PolarHBondContact O-N 3.14Å; D481-A483 VanDerWaalsContact O-N 3.17Å; D481-A483 WeakPolarHBondContact OD1-CB 3.24Å; D481-A483 PolarHBondContact OD1-N 2.77Å; D481-A484 HydrophobicContact CB-CB 4.34Å; D481-A484 WeakPolarHBondContact O-CB 3.45Å; D481-A484 PolarHBondContact O-N 3.32Å; D481-A484 VanDerWaalsContact O-N 3.09Å; D481-L485 WeakPolarHBondContact O-CD1 3.45Å
482	P	94.8	Very high	90.9	Very high	33 Å²	33	21.4 Å²	21.4	21%	0.214	11%	0.105	C	C	.	.	H	α-helix	trans	-59.9	-27.6	178.7	-21.7	33.8	0	0	0	113.3	L270 G470 I472 I480 A484 L485 H486	L270-P482 HydrophobicContact CD1-CB 3.94Å; L270-P482 HydrophobicContact CD1-CG 3.84Å; G470-P482 WeakPolarHBondContact O-CD 3.47Å; G470-P482 VanDerWaalsContact O-CG 3.31Å; G470-P482 WeakPolarHBondContact O-CG 3.2Å; I472-P482 HydrophobicContact CG1-CG 4Å; I480-P482 VanDerWaalsContact O-CD 3.31Å; I480-P482 WeakPolarHBondContact O-CD 3.49Å; P482-A484 VanDerWaalsContact C-N 3.26Å; P482-A484 PolarHBondContact O-N 3.24Å; P482-L485 PolarHBondContact O-N 2.87Å; P482-H486 PolarHBondContact O-N 3.49Å; P482-H486 VanDerWaalsContact O-N 3.14Å
483	A	93	Very high	89.3	Confident	21 Å²	21	26.3 Å²	26.3	17%	0.174	13%	0.128	C	C	.	.	H	α-helix	trans	-68.4	-28.4	-179.9	0	0	0	0	0	112	I465 L466 D481 C487	I465-A483 VanDerWaalsContact O-CB 3.31Å; I465-A483 WeakPolarHBondContact O-CB 3.41Å; L466-A483 HydrophobicContact CD2-CB 4.22Å; D481-A483 PolarHBondContact O-N 3.14Å; D481-A483 VanDerWaalsContact O-N 3.17Å; D481-A483 WeakPolarHBondContact OD1-CB 3.24Å; D481-A483 PolarHBondContact OD1-N 2.77Å; A483-C487 WeakPolarHBondContact O-CB 3.39Å; A483-C487 PolarHBondContact O-N 3.17Å
484	A	94.1	Very high	87.4	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.008	14%	0.144	C	C	.	.	H	α-helix	trans	-67	-42.4	174.4	0	0	0	0	0	111.8	L131 P145 L208 L466 D481 P482 C487 C488	L131-A484 HydrophobicContact CD2-CB 3.5Å; P145-A484 HydrophobicContact CB-CB 4.35Å; P145-A484 HydrophobicContact CG-CB 4.24Å; L208-A484 HydrophobicContact CD2-CB 4.38Å; L466-A484 HydrophobicContact CD2-CB 3.98Å; D481-A484 HydrophobicContact CB-CB 4.34Å; D481-A484 WeakPolarHBondContact O-CB 3.45Å; D481-A484 PolarHBondContact O-N 3.32Å; D481-A484 VanDerWaalsContact O-N 3.09Å; P482-A484 VanDerWaalsContact C-N 3.26Å; P482-A484 PolarHBondContact O-N 3.24Å; A484-C487 PolarHBondContact O-N 2.89Å; A484-C488 PolarHBondContact O-N 2.9Å; A484-C488 PolarHBondContact O-SG 3.38Å
485	L	94	Very high	85.6	Confident	4 Å²	4	33.8 Å²	33.8	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-61	-50	175.5	-76.1	68.7	0	0	0	110.4	T204 L270 L271 I480 D481 P482 C487 C488 Q489	T204-L485 HydrophobicContact CG2-CD1 3.89Å; T204-L485 HydrophobicContact CG2-CG 4.42Å; L270-L485 HydrophobicContact CD1-CD1 4.36Å; L270-L485 HydrophobicContact CD1-CD2 3.87Å; L270-L485 HydrophobicContact CD2-CD2 4.07Å; L270-L485 HydrophobicContact CG-CD2 3.84Å; L271-L485 HydrophobicContact CD2-CD2 4.01Å; I480-L485 HydrophobicContact CG2-CD1 3.73Å; D481-L485 WeakPolarHBondContact O-CD1 3.45Å; P482-L485 PolarHBondContact O-N 2.87Å; L485-C487 VanDerWaalsContact C-N 3.28Å; L485-C487 PolarHBondContact O-N 2.89Å; L485-C488 PolarHBondContact O-N 2.84Å; L485-Q489 WeakPolarHBondContact O-CB 3.26Å; L485-Q489 WeakPolarHBondContact O-CG 3.13Å; L485-Q489 PolarHBondContact O-N 3.39Å
486	H	89.8	Confident	83.8	Confident	107 Å²	107	41 Å²	41	50%	0.495	19%	0.187	S	C	.	.	H	α-helix	trans	-59.3	-40.3	177.6	177.1	-89.8	0	0	0	111.8	P482 R490	P482-H486 PolarHBondContact O-N 3.49Å; P482-H486 VanDerWaalsContact O-N 3.14Å; H486-R490 WeakPolarHBondContact O-CB 3.19Å; H486-R490 PolarHBondContact O-N 3.07Å; H486-R490 VanDerWaalsContact O-N 3.16Å
487	C	90.3	Very high	82.1	Confident	4 Å²	4	46.8 Å²	46.8	3%	0.027	22%	0.215	C	C	.	.	H	α-helix	trans	-61.1	-51	176	-160.7	0	0	0	0	110.9	C464 A483 A484 L485 Q489 L491	C464-C487 WeakPolarHBondContact CA-SG 3.48Å; C464-C487 HydrophobicContact CB-CB 3.8Å; C464-C487 WeakPolarHBondContact CB-SG 3.18Å; C464-C487 WeakPolarHBondContact SG-CB 3.16Å; C464-C487 CovalentContact SG-SG 2.02Å; C464-C487 PolarHBondContact SG-SG 3.11Å; A483-C487 WeakPolarHBondContact O-CB 3.39Å; A483-C487 PolarHBondContact O-N 3.17Å; A484-C487 PolarHBondContact O-N 2.89Å; L485-C487 VanDerWaalsContact C-N 3.28Å; L485-C487 PolarHBondContact O-N 2.89Å; C487-Q489 PolarHBondContact O-N 2.82Å; C487-L491 WeakPolarHBondContact O-CD1 3.45Å; C487-L491 WeakPolarHBondContact O-CG 3.15Å; C487-L491 PolarHBondContact O-N 2.77Å
488	C	91.1	Very high	80.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-71.9	-27.9	-175.2	-61.9	0	0	0	0	114.7	C146 S207 L208 A484 L485	C146-C488 WeakPolarHBondContact CA-SG 3.47Å; C146-C488 HydrophobicContact CB-CB 3.92Å; C146-C488 WeakPolarHBondContact CB-SG 3.38Å; C146-C488 PolarHBondContact N-SG 3.23Å; C146-C488 WeakPolarHBondContact SG-CA 3.34Å; C146-C488 WeakPolarHBondContact SG-CB 3.23Å; C146-C488 CovalentContact SG-SG 2.04Å; C146-C488 PolarHBondContact SG-SG 2.65Å; S207-C488 VanDerWaalsContact O-CB 3.28Å; S207-C488 WeakPolarHBondContact O-CB 3.43Å; L208-C488 HydrophobicContact CD2-CB 4.06Å; L208-C488 WeakPolarHBondContact CD2-SG 3.36Å; A484-C488 PolarHBondContact O-N 2.9Å; A484-C488 PolarHBondContact O-SG 3.38Å; L485-C488 PolarHBondContact O-N 2.84Å
489	Q	85.4	Confident	79.1	Confident	76 Å²	76	55.7 Å²	55.7	36%	0.355	26%	0.262	S	S	.	.	H	α-helix	trans	-71.4	-50.6	174.7	-74.5	-179.3	-9.5	0	0	112.5	S207 L485 C487 L491 K492 E493	S207-Q489 PolarHBondContact OG-NE2 2.84Å; L485-Q489 WeakPolarHBondContact O-CB 3.26Å; L485-Q489 WeakPolarHBondContact O-CG 3.13Å; L485-Q489 PolarHBondContact O-N 3.39Å; C487-Q489 PolarHBondContact O-N 2.82Å; Q489-L491 PolarHBondContact O-N 3.46Å; Q489-K492 PolarHBondContact O-N 3.38Å; Q489-E493 PolarHBondContact O-N 3.18Å
490	R	69.9	Low	77.6	Confident	85 Å²	85	60.2 Å²	60.2	32%	0.321	29%	0.286	S	S	.	.	H	α-helix	trans	-55.5	-39.6	-179.1	-177.4	177.7	69.8	99.7	-5.9	111.9	E463 H486 K492 E493 E494	E463-R490 PolarHBondContact O-NH2 2.64Å; H486-R490 WeakPolarHBondContact O-CB 3.19Å; H486-R490 PolarHBondContact O-N 3.07Å; H486-R490 VanDerWaalsContact O-N 3.16Å; R490-K492 PolarHBondContact O-N 3.41Å; R490-E493 PolarHBondContact O-N 2.88Å; R490-E494 IonicContact CZ-OE1 3.88Å; R490-E494 IonicContact NH1-OE1 2.71Å; R490-E494 PolarHBondContact NH1-OE1 3.28Å; R490-E494 IonicContact NH1-OE2 2.69Å; R490-E494 WeakPolarHBondContact O-CG 3.29Å; R490-E494 PolarHBondContact O-N 3.19Å; R490-E494 VanDerWaalsContact O-N 3.1Å
491	L	61.8	Low	76.4	Confident	8 Å²	8	65.3 Å²	65.3	4%	0.042	31%	0.312	C	S	.	.	H	α-helix	trans	-60.1	-30.5	178.5	-66.8	173.2	0	0	0	112.8	Y461 C487 Q489 Q495	Y461-L491 VanDerWaalsContact C-CD2 3.42Å; Y461-L491 HydrophobicContact CD2-CD1 4.26Å; Y461-L491 HydrophobicContact CG-CD1 4.26Å; Y461-L491 WeakPolarHBondContact O-CD2 3.49Å; C487-L491 WeakPolarHBondContact O-CD1 3.45Å; C487-L491 WeakPolarHBondContact O-CG 3.15Å; C487-L491 PolarHBondContact O-N 2.77Å; Q489-L491 PolarHBondContact O-N 3.46Å; L491-Q495 WeakPolarHBondContact O-CB 3.24Å; L491-Q495 VanDerWaalsContact O-CG 3.25Å; L491-Q495 WeakPolarHBondContact O-CG 3.26Å; L491-Q495 PolarHBondContact O-N 2.78Å; L491-Q495 VanDerWaalsContact O-N 3.07Å
492	K	62	Low	75.1	Confident	43 Å²	43	69.7 Å²	69.7	19%	0.187	33%	0.334	C	S	.	.	H	α-helix	trans	-85.2	-36.1	-178.9	-70.2	175.1	-169.5	153.2	0	112.4	S207 L208 T209 Q489 R490 E494 Q495 W496	S207-K492 PolarHBondContact O-NZ 2.95Å; S207-K492 VanDerWaalsContact O-NZ 3.09Å; L208-K492 PolarHBondContact O-NZ 3.09Å; T209-K492 PolarHBondContact O-NZ 3.31Å; T209-K492 VanDerWaalsContact O-NZ 3.08Å; Q489-K492 PolarHBondContact O-N 3.38Å; R490-K492 PolarHBondContact O-N 3.41Å; K492-E494 VanDerWaalsContact C-N 3.28Å; K492-E494 PolarHBondContact O-N 3.13Å; K492-Q495 PolarHBondContact O-N 3.1Å; K492-W496 WeakPolarHBondContact O-CB 3.49Å; K492-W496 PolarHBondContact O-N 2.84Å
493	E	63.4	Low	74	Confident	122 Å²	122	76.4 Å²	76.4	57%	0.57	36%	0.355	S	S	*	.	H	α-helix	trans	-57.3	-46.6	169.4	-66.5	-178.4	164.7	0	0	110.2	Q489 R490 Q495 W496 E497	Q489-E493 PolarHBondContact O-N 3.18Å; R490-E493 PolarHBondContact O-N 2.88Å; E493-Q495 PolarHBondContact O-N 3.43Å; E493-W496 PolarHBondContact O-N 3.39Å; E493-E497 WeakPolarHBondContact O-CB 3.46Å; E493-E497 WeakPolarHBondContact O-CG 3.2Å; E493-E497 PolarHBondContact O-N 3.21Å
494	E	59.9	Low	73.1	Confident	81 Å²	81	80.5 Å²	80.5	38%	0.379	37%	0.37	S	S	.	.	H	α-helix	trans	-64.5	-39.5	176.6	-68.8	176.2	-170	0	0	112.3	R490 K492 V498	R490-E494 IonicContact CZ-OE1 3.88Å; R490-E494 IonicContact NH1-OE1 2.71Å; R490-E494 PolarHBondContact NH1-OE1 3.28Å; R490-E494 IonicContact NH1-OE2 2.69Å; R490-E494 WeakPolarHBondContact O-CG 3.29Å; R490-E494 PolarHBondContact O-N 3.19Å; R490-E494 VanDerWaalsContact O-N 3.1Å; K492-E494 VanDerWaalsContact C-N 3.28Å; K492-E494 PolarHBondContact O-N 3.13Å; E494-V498 VanDerWaalsContact O-CG2 3.24Å; E494-V498 WeakPolarHBondContact O-CG2 3.39Å; E494-V498 PolarHBondContact O-N 3.49Å; E494-V498 VanDerWaalsContact O-N 3.08Å
495	Q	59.8	Low	72.1	Confident	83 Å²	83	85.9 Å²	85.9	39%	0.388	39%	0.394	S	S	.	.	H	α-helix	trans	-66.3	-44.1	175.1	-79.5	174.3	1.1	0	0	112.7	L491 K492 E493 V498 E499	L491-Q495 WeakPolarHBondContact O-CB 3.24Å; L491-Q495 VanDerWaalsContact O-CG 3.25Å; L491-Q495 WeakPolarHBondContact O-CG 3.26Å; L491-Q495 PolarHBondContact O-N 2.78Å; L491-Q495 VanDerWaalsContact O-N 3.07Å; K492-Q495 PolarHBondContact O-N 3.1Å; E493-Q495 PolarHBondContact O-N 3.43Å; Q495-V498 PolarHBondContact O-N 3.43Å; Q495-E499 WeakPolarHBondContact O-CB 3.24Å; Q495-E499 WeakPolarHBondContact O-CG 3.28Å; Q495-E499 PolarHBondContact O-N 2.93Å
496	W	60.3	Low	71	Confident	174 Å²	174	92.8 Å²	92.8	66%	0.659	42%	0.42	S	S	*	.	H	α-helix	trans	-64.5	-41.3	177.1	-80.1	-20.3	0	0	0	112	K492 E493 V498 E499 D500	K492-W496 WeakPolarHBondContact O-CB 3.49Å; K492-W496 PolarHBondContact O-N 2.84Å; E493-W496 PolarHBondContact O-N 3.39Å; W496-V498 VanDerWaalsContact C-N 3.32Å; W496-V498 PolarHBondContact O-N 3.32Å; W496-E499 PolarHBondContact O-N 2.9Å; W496-D500 WeakPolarHBondContact O-CB 3.48Å; W496-D500 PolarHBondContact O-N 2.88Å
497	E	63.4	Low	69.9	Low	128 Å²	128	90.6 Å²	90.6	60%	0.598	42%	0.417	S	S	*	.	H	α-helix	trans	-59.5	-43.7	173.4	-76.2	-175.8	172.7	0	0	111.5	E493 D500 L501	E493-E497 WeakPolarHBondContact O-CB 3.46Å; E493-E497 WeakPolarHBondContact O-CG 3.2Å; E493-E497 PolarHBondContact O-N 3.21Å; E497-D500 PolarHBondContact O-N 2.61Å; E497-L501 VanDerWaalsContact O-CB 3.3Å; E497-L501 WeakPolarHBondContact O-CB 3.48Å; E497-L501 WeakPolarHBondContact O-CD1 3.26Å; E497-L501 WeakPolarHBondContact O-CG 3.33Å; E497-L501 PolarHBondContact O-N 2.94Å
498	V	67.3	Low	68.6	Low	80 Å²	80	95.4 Å²	95.4	49%	0.485	44%	0.442	S	S	.	.	H	α-helix	trans	-66.6	-42.6	177.1	171.8	0	0	0	0	111.8	E494 Q495 W496 L501 M502	E494-V498 VanDerWaalsContact O-CG2 3.24Å; E494-V498 WeakPolarHBondContact O-CG2 3.39Å; E494-V498 PolarHBondContact O-N 3.49Å; E494-V498 VanDerWaalsContact O-N 3.08Å; Q495-V498 PolarHBondContact O-N 3.43Å; W496-V498 VanDerWaalsContact C-N 3.32Å; W496-V498 PolarHBondContact O-N 3.32Å; V498-L501 PolarHBondContact O-N 2.87Å; V498-M502 HydrophobicContact CG1-CG 4.38Å; V498-M502 WeakPolarHBondContact O-CB 3.09Å; V498-M502 WeakPolarHBondContact O-CG 3.28Å; V498-M502 PolarHBondContact O-N 3.11Å
499	E	66.9	Low	67.2	Low	107 Å²	107	100.9 Å²	100.9	50%	0.5	47%	0.466	S	S	.	.	H	α-helix	trans	-65.1	-39.2	176.9	-77.7	-168.6	173.6	0	0	112.5	Q495 W496 M502 R503	Q495-E499 WeakPolarHBondContact O-CB 3.24Å; Q495-E499 WeakPolarHBondContact O-CG 3.28Å; Q495-E499 PolarHBondContact O-N 2.93Å; W496-E499 PolarHBondContact O-N 2.9Å; E499-M502 WeakPolarHBondContact O-CB 3.45Å; E499-M502 PolarHBondContact O-N 3.3Å; E499-R503 WeakPolarHBondContact O-CB 3.41Å; E499-R503 VanDerWaalsContact O-CG 3.28Å; E499-R503 WeakPolarHBondContact O-CG 3.16Å; E499-R503 PolarHBondContact O-N 3.1Å
500	D	68.8	Low	65.8	Low	96 Å²	96	105.1 Å²	105.1	51%	0.513	48%	0.479	S	S	.	.	H	α-helix	trans	-68.5	-44.5	176.9	-161.2	43.7	0	0	0	110.9	W496 E497 M502 R503 E504	W496-D500 WeakPolarHBondContact O-CB 3.48Å; W496-D500 PolarHBondContact O-N 2.88Å; E497-D500 PolarHBondContact O-N 2.61Å; D500-M502 VanDerWaalsContact C-N 3.3Å; D500-M502 PolarHBondContact O-N 2.66Å; D500-R503 CarbonylContact O-C 3.53Å; D500-R503 WeakPolarHBondContact O-CB 3.32Å; D500-R503 PolarHBondContact O-N 3.16Å; D500-R503 VanDerWaalsContact O-N 3.12Å; D500-E504 WeakPolarHBondContact O-CG 3.39Å; D500-E504 PolarHBondContact O-N 2.81Å
501	L	72.6	Confident	64.9	Low	108 Å²	108	105 Å²	105	57%	0.565	48%	0.484	S	S	*	.	H	α-helix	trans	-57.9	-40.9	171.2	-77.2	167.6	0	0	0	112.2	E497 V498 F505	E497-L501 VanDerWaalsContact O-CB 3.3Å; E497-L501 WeakPolarHBondContact O-CB 3.48Å; E497-L501 WeakPolarHBondContact O-CD1 3.26Å; E497-L501 WeakPolarHBondContact O-CG 3.33Å; E497-L501 PolarHBondContact O-N 2.94Å; V498-L501 PolarHBondContact O-N 2.87Å; L501-F505 VanDerWaalsContact O-CB 3.28Å; L501-F505 WeakPolarHBondContact O-CB 3.47Å; L501-F505 PolarHBondContact O-N 3.36Å
502	M	69.4	Low	64.5	Low	102 Å²	102	114 Å²	114	50%	0.502	52%	0.518	S	S	.	.	H	α-helix	trans	-64.4	-46.5	174.4	-75.8	-103.6	-125.4	0	0	110.9	V498 E499 D500 E504 F505 Y506	V498-M502 HydrophobicContact CG1-CG 4.38Å; V498-M502 WeakPolarHBondContact O-CB 3.09Å; V498-M502 WeakPolarHBondContact O-CG 3.28Å; V498-M502 PolarHBondContact O-N 3.11Å; E499-M502 WeakPolarHBondContact O-CB 3.45Å; E499-M502 PolarHBondContact O-N 3.3Å; D500-M502 VanDerWaalsContact C-N 3.3Å; D500-M502 PolarHBondContact O-N 2.66Å; M502-E504 VanDerWaalsContact C-N 3.34Å; M502-E504 PolarHBondContact O-N 3.02Å; M502-F505 PolarHBondContact O-N 3.02Å; M502-Y506 HydrophobicContact CB-CD2 4.45Å; M502-Y506 WeakPolarHBondContact O-CB 3.29Å; M502-Y506 WeakPolarHBondContact O-CD2 3.25Å; M502-Y506 PolarHBondContact O-N 3.16Å; M502-Y506 HydrophobicContact SD-CE2 4.11Å
503	R	71.4	Confident	63.9	Low	174 Å²	174	114.9 Å²	114.9	66%	0.657	53%	0.529	S	S	*	.	H	α-helix	trans	-59.7	-43.7	176.4	-77.5	174.9	-177.8	-136.9	3.5	111.5	E499 D500 Y506 S507	E499-R503 WeakPolarHBondContact O-CB 3.41Å; E499-R503 VanDerWaalsContact O-CG 3.28Å; E499-R503 WeakPolarHBondContact O-CG 3.16Å; E499-R503 PolarHBondContact O-N 3.1Å; D500-R503 CarbonylContact O-C 3.53Å; D500-R503 WeakPolarHBondContact O-CB 3.32Å; D500-R503 PolarHBondContact O-N 3.16Å; D500-R503 VanDerWaalsContact O-N 3.12Å; R503-Y506 PolarHBondContact O-N 2.81Å; R503-S507 WeakPolarHBondContact O-CB 3.46Å; R503-S507 PolarHBondContact O-N 3.37Å
504	E	73.2	Confident	63	Low	108 Å²	108	115.1 Å²	115.1	51%	0.505	53%	0.528	S	S	.	.	H	α-helix	trans	-60.8	-46.1	172.8	-74.8	-160.3	148.1	0	0	111.6	D500 M502 Y506 S507 L508	D500-E504 WeakPolarHBondContact O-CG 3.39Å; D500-E504 PolarHBondContact O-N 2.81Å; M502-E504 VanDerWaalsContact C-N 3.34Å; M502-E504 PolarHBondContact O-N 3.02Å; E504-Y506 PolarHBondContact O-N 3.04Å; E504-S507 WeakPolarHBondContact O-CB 3.33Å; E504-S507 PolarHBondContact O-N 3.01Å; E504-L508 WeakPolarHBondContact O-CB 3.08Å; E504-L508 VanDerWaalsContact O-CG 3.24Å; E504-L508 WeakPolarHBondContact O-CG 3.46Å; E504-L508 PolarHBondContact O-N 3.4Å
505	F	73.8	Confident	62.2	Low	113 Å²	113	119 Å²	119	50%	0.496	55%	0.545	S	S	.	.	H	α-helix	trans	-63.1	-42.4	178.4	-173.9	-102.1	0	0	0	112.5	L501 M502 L508 K509	L501-F505 VanDerWaalsContact O-CB 3.28Å; L501-F505 WeakPolarHBondContact O-CB 3.47Å; L501-F505 PolarHBondContact O-N 3.36Å; M502-F505 PolarHBondContact O-N 3.02Å; F505-L508 PolarHBondContact O-N 3.47Å; F505-K509 HydrophobicContact CD1-CD 4.34Å; F505-K509 HydrophobicContact CE1-CD 3.84Å; F505-K509 VanDerWaalsContact CE1-CE 3.42Å; F505-K509 HydrophobicContact CE1-CG 4.43Å; F505-K509 HydrophobicContact CZ-CD 4.4Å; F505-K509 PolarHBondContact O-N 3.47Å
506	Y	70.1	Confident	61.4	Low	149 Å²	149	122 Å²	122	58%	0.584	56%	0.559	S	S	*	*	H	α-helix	trans	-68.9	-36.8	175.3	-80.2	-70.4	0	0	0	112.1	M502 R503 E504 K509 R510	M502-Y506 HydrophobicContact CB-CD2 4.45Å; M502-Y506 WeakPolarHBondContact O-CB 3.29Å; M502-Y506 WeakPolarHBondContact O-CD2 3.25Å; M502-Y506 PolarHBondContact O-N 3.16Å; M502-Y506 HydrophobicContact SD-CE2 4.11Å; R503-Y506 PolarHBondContact O-N 2.81Å; E504-Y506 PolarHBondContact O-N 3.04Å; Y506-K509 PolarHBondContact O-N 2.86Å; Y506-R510 WeakPolarHBondContact O-CB 3.5Å; Y506-R510 PolarHBondContact O-N 3.48Å
507	S	66.4	Low	60.5	Low	61 Å²	61	122.4 Å²	122.4	43%	0.427	57%	0.565	S	S	.	*	H	α-helix	trans	-59.4	-47.1	170.4	161.6	0	0	0	0	111.6	R503 E504 R510 N511	R503-S507 WeakPolarHBondContact O-CB 3.46Å; R503-S507 PolarHBondContact O-N 3.37Å; E504-S507 WeakPolarHBondContact O-CB 3.33Å; E504-S507 PolarHBondContact O-N 3.01Å; S507-R510 WeakPolarHBondContact O-CB 3.28Å; S507-R510 PolarHBondContact O-N 2.81Å; S507-N511 PolarHBondContact O-N 2.86Å
508	L	64.4	Low	59.2	Low	105 Å²	105	125.3 Å²	125.3	55%	0.55	58%	0.575	S	S	.	*	H	α-helix	trans	-65.7	-40.4	177.4	-73	166.4	0	0	0	112.2	E504 F505 N511 R512	E504-L508 WeakPolarHBondContact O-CB 3.08Å; E504-L508 VanDerWaalsContact O-CG 3.24Å; E504-L508 WeakPolarHBondContact O-CG 3.46Å; E504-L508 PolarHBondContact O-N 3.4Å; F505-L508 PolarHBondContact O-N 3.47Å; L508-N511 PolarHBondContact O-N 3.28Å; L508-R512 PolarHBondContact O-N 3.43Å
509	K	61.8	Low	57.9	Low	115 Å²	115	126.7 Å²	126.7	50%	0.5	58%	0.584	S	S	.	*	H	α-helix	trans	-62.6	-40.6	171	-92.7	-175.1	175.3	177.5	0	112	F505 Y506 R512 S513	F505-K509 HydrophobicContact CD1-CD 4.34Å; F505-K509 HydrophobicContact CE1-CD 3.84Å; F505-K509 VanDerWaalsContact CE1-CE 3.42Å; F505-K509 HydrophobicContact CE1-CG 4.43Å; F505-K509 HydrophobicContact CZ-CD 4.4Å; F505-K509 PolarHBondContact O-N 3.47Å; Y506-K509 PolarHBondContact O-N 2.86Å; K509-R512 PolarHBondContact O-N 2.86Å; K509-S513 PolarHBondContact O-N 3.09Å
510	R	54.3	Low	56.5	Low	165 Å²	165	129.9 Å²	129.9	62%	0.623	60%	0.601	S	S	*	*	H	α-helix	trans	-64.1	-41	177.2	-162.3	169.5	93.9	157.8	2.7	111.3	Y506 S507 S513 K514	Y506-R510 WeakPolarHBondContact O-CB 3.5Å; Y506-R510 PolarHBondContact O-N 3.48Å; S507-R510 WeakPolarHBondContact O-CB 3.28Å; S507-R510 PolarHBondContact O-N 2.81Å; R510-S513 PolarHBondContact O-N 3.2Å; R510-S513 PolarHBondContact O-OG 3.17Å; R510-K514 PolarHBondContact O-N 2.9Å
511	N	52.8	Low	55.3	Low	82 Å²	82	130.6 Å²	130.6	44%	0.439	61%	0.614	S	S	.	*	H	α-helix	trans	-68.3	-37.5	175.1	-77.2	-18.1	0	0	0	112.8	S507 L508 K514 F515	S507-N511 PolarHBondContact O-N 2.86Å; L508-N511 PolarHBondContact O-N 3.28Å; N511-K514 PolarHBondContact O-N 3.44Å; N511-F515 PolarHBondContact O-N 2.9Å
512	R	52.5	Low	53.6	Low	199 Å²	199	131.1 Å²	131.1	75%	0.751	63%	0.626	S	S	*	*	H	α-helix	trans	-63.7	-40.4	170.3	-87.3	-178.2	160.5	178.4	-4.3	112.7	L508 K509 F515 Q516	L508-R512 PolarHBondContact O-N 3.43Å; K509-R512 PolarHBondContact O-N 2.86Å; R512-F515 PolarHBondContact O-N 2.76Å; R512-Q516 PolarHBondContact O-N 2.82Å
513	S	48.6	Very low	52.1	Low	61 Å²	61	129.3 Å²	129.3	43%	0.427	63%	0.634	S	S	.	*	H	α-helix	trans	-68.2	-33.5	176.3	87.8	0	0	0	0	112.9	K509 R510 Q516 K517	K509-S513 PolarHBondContact O-N 3.09Å; R510-S513 PolarHBondContact O-N 3.2Å; R510-S513 PolarHBondContact O-OG 3.17Å; S513-Q516 PolarHBondContact O-N 2.74Å; S513-K517 PolarHBondContact O-N 3.38Å
514	K	46.3	Very low	50.2	Low	126 Å²	126	127.7 Å²	127.7	55%	0.548	65%	0.646	S	S	.	*	H	α-helix	trans	-67.5	-35	171.8	-84.5	-174.7	176.4	-179	0	112.1	R510 N511 K518	R510-K514 PolarHBondContact O-N 2.9Å; N511-K514 PolarHBondContact O-N 3.44Å; K514-K518 PolarHBondContact O-N 3.49Å
515	F	42.2	Very low	48.1	Very low	164 Å²	164	133.5 Å²	133.5	72%	0.719	66%	0.664	S	S	*	*	H	α-helix	trans	-68.7	-39	173.1	-106.5	-92.3	0	0	0	112.4	N511 R512 K518 T519	N511-F515 PolarHBondContact O-N 2.9Å; R512-F515 PolarHBondContact O-N 2.76Å; F515-K518 PolarHBondContact O-N 2.8Å; F515-T519 PolarHBondContact O-OG1 3.39Å
516	Q	43.3	Very low	45.9	Very low	146 Å²	146	136.9 Å²	136.9	68%	0.682	68%	0.681	S	S	*	*	H	α-helix	trans	-71.2	-31.2	175.5	-103.5	172.8	-24.8	0	0	113.8	R512 S513 K518 T519	R512-Q516 PolarHBondContact O-N 2.82Å; S513-Q516 PolarHBondContact O-N 2.74Å; Q516-K518 VanDerWaalsContact C-N 3.34Å; Q516-T519 PolarHBondContact O-OG1 3.13Å; Q516-T519 VanDerWaalsContact O-OG1 3.12Å
517	K	40.6	Very low	44	Very low	182 Å²	182	134.8 Å²	134.8	79%	0.791	69%	0.686	S	S	*	*	H	α-helix	trans	-73.9	-22.5	173.5	-104.1	-179.7	176.1	178	0	113.6	S513	S513-K517 PolarHBondContact O-N 3.38Å
518	K	37.6	Very low	42.6	Very low	188 Å²	188	137.5 Å²	137.5	82%	0.817	70%	0.702	S	S	*	*	H	α-helix	trans	-82.8	-13.8	178.4	-118.6	-179.6	179.2	-177.1	0	113.8	K514 F515 Q516	K514-K518 PolarHBondContact O-N 3.49Å; F515-K518 PolarHBondContact O-N 2.8Å; Q516-K518 VanDerWaalsContact C-N 3.34Å
519	T	38.8	Very low	40.8	Very low	110 Å²	110	139.4 Å²	139.4	68%	0.675	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	3.9	-179.3	43.2	0	0	0	0	114.8	F515 Q516	F515-T519 PolarHBondContact O-OG1 3.39Å; Q516-T519 PolarHBondContact O-OG1 3.13Å; Q516-T519 VanDerWaalsContact O-OG1 3.12Å
520	M	38.7	Very low	39.4	Very low	173 Å²	173	145.4 Å²	145.4	85%	0.852	74%	0.738	S	S	*	*	S	Bend	trans	-117.7	21.9	179.8	-69	-155	76.5	0	0	115.5
521	S	43.1	Very low	39	Very low	111 Å²	111	143.7 Å²	143.7	78%	0.776	75%	0.748	S	S	*	*			trans	-134.5	81.4	172	176	0	0	0	0	111.2
522	S	36.4	Very low	37.8	Very low	119 Å²	119	143 Å²	143	83%	0.832	76%	0.76	S	S	*	*			trans	-112.1	102.4	164.1	57.4	0	0	0	0	109.3
523	G	36.8	Very low	36.7	Very low	65 Å²	65	139.6 Å²	139.6	67%	0.67	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-80.4	166.2	162.3	0	0	0	0	0	111.5
524	P	33.4	Very low	35.7	Very low	140 Å²	140	143.4 Å²	143.4	91%	0.909	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-72.5	151.8	-166.1	-14.2	29.7	0	0	0	114.3
525	W	27.8	Very low	34.8	Very low	230 Å²	230	145.2 Å²	145.2	87%	0.871	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-84.1	138.3	-171.3	-146.2	67.5	0	0	0	112.1
526	E	28.3	Very low	34	Very low	183 Å²	183	142.2 Å²	142.2	86%	0.855	79%	0.791	S	S	*	*			trans	-124.4	146.6	162.3	-89.4	-170.7	166.9	0	0	110.8
527	P	29.5	Very low	34	Very low	105 Å²	105	140.2 Å²	140.2	68%	0.682	79%	0.79	S	S	*	*			trans	-94.4	163.8	-167.5	15.1	4.6	0	0	0	114.1
528	P	36.9	Very low	33.4	Very low	118 Å²	118	139.3 Å²	139.3	77%	0.766	79%	0.789	S	S	*	*			trans	-100.6	155.6	-157.3	37.7	-32.6	0	0	0	114.7
529	T	27.9	Very low	33.1	Very low	146 Å²	146	136.2 Å²	136.2	90%	0.896	78%	0.781	S	S	*	*			trans	-118.9	133.7	159.5	46.9	0	0	0	0	110.4
530	R	32.3	Very low	32.7	Very low	241 Å²	241	139.5 Å²	139.5	91%	0.909	79%	0.789	S	S	*	*			trans	-128	164.3	168.7	-89.2	-168.1	-171.9	-172.8	3.7	105.6
531	P	45	Very low	32.2	Very low	129 Å²	129	138.5 Å²	138.5	84%	0.838	79%	0.787	S	S	*	*			cis	-156.7	-176.6	39.3	40.3	-16.9	0	0	0	118.4
532	G	28.7	Very low	31.6	Very low	68 Å²	68	142.7 Å²	142.7	70%	0.701	79%	0.794	S	S	*	*			trans	104.5	128.7	154.3	0	0	0	0	0	114.3
533	T	28.7	Very low	31.3	Very low	127 Å²	127	141.8 Å²	141.8	78%	0.779	79%	0.794	S	S	*	*			cis	-164.6	124.7	27.5	21.1	0	0	0	0	107.7
534	L	27.4	Very low	30.8	Very low	140 Å²	140	150.8 Å²	150.8	73%	0.733	81%	0.807	S	S	*	*				80.3	110.9	97.6	-110.8	120.2	0	0	0	114.6
535	L	27.1	Very low	30.7	Very low	164 Å²	164	153.1 Å²	153.1	86%	0.859	81%	0.806	S	S	*	*				-178.7	138	108.3	-91.3	151.9	0	0	0	111.5
536	S	25	Very low	30.7	Very low	101 Å²	101	154.2 Å²	154.2	71%	0.706	81%	0.81	S	S	*	*			trans	-103.7	-158.9	-170	-25.3	0	0	0	0	109.9
537	P	43.4	Very low	30.8	Very low	104 Å²	104	155 Å²	155	68%	0.675	81%	0.811	S	S	*	*			cis	-138.8	168.9	-22.5	27.9	-3	0	0	0	113.6
538	E	29.4	Very low	30.8	Very low	163 Å²	163	156.3 Å²	156.3	76%	0.762	82%	0.82	S	S	*	*				128.6	143.1	119.9	-72	-162.1	-179.9	0	0	108.6
539	N	30.1	Very low	30.4	Very low	124 Å²	124	155.4 Å²	155.4	66%	0.663	82%	0.822	S	S	*	*			cis	-157.2	140	14.7	-108.2	-31	0	0	0	112.2
540	H	30.7	Very low	30.8	Very low	179 Å²	179	158.7 Å²	158.7	83%	0.829	82%	0.824	S	S	*	*			trans	34.7	121.4	143.7	-81.2	-73.8	0	0	0	125.8
541	D	28.5	Very low	30.5	Very low	152 Å²	152	156.2 Å²	156.2	81%	0.813	82%	0.822	S	S	*	*			trans	-60.6	147.1	151.2	-76.6	-50.7	0	0	0	114.8
542	Q	29.3	Very low	29.7	Very low	199 Å²	199	159.9 Å²	159.9	93%	0.93	83%	0.825	S	S	*	*			trans	-140.1	126.2	138.9	-83.9	-168.4	2.1	0	0	111.2
543	A	30.5	Very low	29.7	Very low	100 Å²	100	163 Å²	163	83%	0.826	83%	0.83	S	S	*	*			trans	-84.1	150.6	178.2	0	0	0	0	0	112.9
544	R	27.8	Very low	29.7	Very low	253 Å²	253	161.6 Å²	161.6	96%	0.955	82%	0.823	S	S	*	*			trans	-157	121.2	147.8	-128.7	175	-178.4	-177.8	1.5	112.6
545	E	30.2	Very low	30	Very low	189 Å²	189	163.6 Å²	163.6	88%	0.883	83%	0.834	S	S	*	*			trans	-64.1	147.2	172.6	-63	174.8	133	0	0	113
546	R	27.4	Very low	30	Very low	254 Å²	254	163 Å²	163	96%	0.958	83%	0.831	S	S	*	*			trans	-154.8	136	148.9	-107.7	172.7	-171.7	-166	1.4	111.8
547	K	30.3	Very low	30.1	Very low	199 Å²	199	163.3 Å²	163.3	87%	0.865	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-60.1	158.4	-176.9	-72.1	176.1	175.4	177.6	0	114.3
548	P	31.2	Very low	29.2	Very low	133 Å²	133	164 Å²	164	86%	0.864	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-84.8	133.3	-174.5	33.7	-32.1	0	0	0	112.5
549	A	28.5	Very low	29.2	Very low	99 Å²	99	161.7 Å²	161.7	82%	0.818	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-93.9	135.6	168.9	0	0	0	0	0	110
550	K	35.6	Very low	29.1	Very low	215 Å²	215	161.1 Å²	161.1	94%	0.935	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-64.4	128.5	171.6	-72.7	176.5	174.7	178.3	0	110
551	Q	26.8	Very low	28.8	Very low	188 Å²	188	161.2 Å²	161.2	88%	0.879	84%	0.844	S	S	*	*			trans	-135.9	125.6	157	-122.7	171.5	-5.6	0	0	109.5
552	K	27.8	Very low	28.6	Very low	207 Å²	207	159 Å²	159	90%	0.9	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-62.6	128.5	179.2	-71.7	173.1	171.8	179.9	0	109.4
553	V	29	Very low	28.6	Very low	133 Å²	133	157.1 Å²	157.1	81%	0.806	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-77.5	127.5	165.4	-177.1	0	0	0	0	107.4
554	P	28.2	Very low	28.4	Very low	97 Å²	97	156.7 Å²	156.7	63%	0.63	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-74.1	130.3	173.9	15.3	-5.7	0	0	0	110.1	L556	P554-L556 PolarHBondContact O-N 3.22Å
555	L	33.7	Very low	28.7	Very low	182 Å²	182	147.1 Å²	147.1	95%	0.953	79%	0.787	S	S	*	*			trans	-60.2	99.7	157.5	-85.1	148.8	0	0	0	107.6	S557	L555-S557 PolarHBondContact O-N 2.91Å
556	L	26.8	Very low	28.6	Very low	153 Å²	153	146.9 Å²	146.9	80%	0.801	78%	0.783	S	S	*	*			trans	-90.5	97.1	164	-79.4	164.2	0	0	0	107.2	P554 C558	P554-L556 PolarHBondContact O-N 3.22Å; L556-C558 PolarHBondContact O-N 3.29Å
557	S	28.1	Very low	28.9	Very low	106 Å²	106	140.1 Å²	140.1	74%	0.741	77%	0.765	S	S	*	*			trans	-54.4	116.4	157.5	52.8	0	0	0	0	108.6	L555	L555-S557 PolarHBondContact O-N 2.91Å
558	C	24.2	Very low	29	Very low	120 Å²	120	133.5 Å²	133.5	81%	0.811	75%	0.747	S	S	*	*			trans	-61.3	129.2	163.7	-73.2	0	0	0	0	108.1	L556 S560	L556-C558 PolarHBondContact O-N 3.29Å; C558-S560 PolarHBondContact O-N 3.34Å; C558-S560 VanDerWaalsContact O-N 3.11Å
559	P	27.7	Very low	29.2	Very low	113 Å²	113	130.5 Å²	130.5	73%	0.734	72%	0.724	S	S	*	*			trans	-68.4	110.4	167.7	27	-27.9	0	0	0	107.4	Q561	P559-Q561 PolarHBondContact O-N 3.19Å
560	S	29.7	Very low	29.6	Very low	112 Å²	112	131.4 Å²	131.4	78%	0.783	71%	0.714	S	S	*	*			trans	-56.3	104.1	158.9	52.4	0	0	0	0	107.2	C558 P562	C558-S560 PolarHBondContact O-N 3.34Å; C558-S560 VanDerWaalsContact O-N 3.11Å; S560-P562 VanDerWaalsContact O-CD 3.3Å; S560-P562 WeakPolarHBondContact O-CD 3.33Å
561	Q	23.5	Very low	29.4	Very low	181 Å²	181	122 Å²	122	85%	0.846	68%	0.677	S	S	*	*			trans	-70.3	120.3	165.5	-77.3	-159.4	-41	0	0	107.3	P559 F563	P559-Q561 PolarHBondContact O-N 3.19Å; Q561-F563 PolarHBondContact O-N 2.69Å
562	P	24.5	Very low	29.7	Very low	106 Å²	106	120.8 Å²	120.8	69%	0.688	67%	0.672	S	S	*	*			trans	-65	134.3	168.9	26.5	-29.8	0	0	0	108.2	S560 T564	S560-P562 VanDerWaalsContact O-CD 3.3Å; S560-P562 WeakPolarHBondContact O-CD 3.33Å; P562-T564 PolarHBondContact O-N 3.21Å
563	F	29.4	Very low	30.3	Very low	159 Å²	159	112.6 Å²	112.6	70%	0.697	64%	0.639	S	S	*	*			trans	-51	104.8	167.6	-174.2	-97.3	0	0	0	108.7	Q561 S565	Q561-F563 PolarHBondContact O-N 2.69Å; F563-S565 PolarHBondContact O-N 3.31Å
564	T	25.9	Very low	30.8	Very low	91 Å²	91	111.3 Å²	111.3	56%	0.558	62%	0.623	S	S	*	*			trans	-85.5	103.7	171.2	41.9	0	0	0	0	107.6	P562 K566	P562-T564 PolarHBondContact O-N 3.21Å; T564-K566 PolarHBondContact O-N 3.36Å
565	S	33.4	Very low	31.1	Very low	53 Å²	53	115 Å²	115	37%	0.371	64%	0.637	S	S	.	*	T	Hydrogen-bonded Turn	trans	-56.1	8.2	173.2	38.2	0	0	0	0	115.4	F563 L569	F563-S565 PolarHBondContact O-N 3.31Å; S565-L569 WeakPolarHBondContact O-CD1 3.11Å
566	K	28.1	Very low	31	Very low	183 Å²	183	114.1 Å²	114.1	80%	0.796	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-17	177.6	-107.1	-177.5	175.7	-176.4	0	114.4	T564	T564-K566 PolarHBondContact O-N 3.36Å
567	L	33.8	Very low	31.3	Very low	113 Å²	113	112.4 Å²	112.4	59%	0.592	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-10.5	-171.1	-89.3	151.3	0	0	0	115.1
568	A	32.7	Very low	31.5	Very low	59 Å²	59	116.7 Å²	116.7	49%	0.488	66%	0.663	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.3	-2.8	177.6	0	0	0	0	0	113.8
569	L	36.7	Very low	31.8	Very low	71 Å²	71	116.5 Å²	116.5	37%	0.372	66%	0.656	S	S	.	*	S	Bend	trans	-91.4	-14.3	-157.9	-102.9	154.7	0	0	0	117.4	N450 S565	N450-L569 HydrophobicContact CB-CD1 3.68Å; N450-L569 HydrophobicContact CB-CD2 3.25Å; N450-L569 HydrophobicContact CB-CG 3.98Å; N450-L569 WeakPolarHBondContact O-CD1 3.43Å; S565-L569 WeakPolarHBondContact O-CD1 3.11Å
570	L	35.3	Very low	32.1	Very low	118 Å²	118	116.7 Å²	116.7	62%	0.618	65%	0.652	S	S	*	*	S	Bend	trans	-153.1	23	-175.7	-75.4	176.9	0	0	0	114	Q572	L570-Q572 PolarHBondContact O-N 2.67Å
571	G	33.2	Very low	32.2	Very low	16 Å²	16	116.9 Å²	116.9	17%	0.165	65%	0.645	C	S	.	*	S	Bend	trans	66.5	9.4	177.4	0	0	0	0	0	115.7	L325 V573	L325-G571 WeakPolarHBondContact O-CA 3.42Å; G571-V573 PolarHBondContact O-N 3.28Å
572	Q	32.8	Very low	32.7	Very low	163 Å²	163	113.2 Å²	113.2	76%	0.762	63%	0.633	S	S	*	*			trans	-84.9	68.5	169.5	-74.8	-169.5	-18.6	0	0	109.9	L570	L570-Q572 PolarHBondContact O-N 2.67Å
573	V	40.1	Very low	33.2	Very low	35 Å²	35	113.6 Å²	113.6	21%	0.212	63%	0.629	C	S	.	*			trans	-101.5	100.7	171.2	178.1	0	0	0	0	106.9	G571	G571-V573 PolarHBondContact O-N 3.28Å
574	F	39.2	Very low	33.5	Very low	106 Å²	106	110.6 Å²	110.6	47%	0.465	63%	0.625	S	S	.	*	S	Bend	trans	75.9	79.6	175.4	-44.5	-64.2	0	0	0	118.2	K274	K274-F574 HydrophobicContact CD-CE2 4.47Å; K274-F574 HydrophobicContact CD-CZ 4.27Å; K274-F574 VanDerWaalsContact CE-CE1 3.45Å; K274-F574 VanDerWaalsContact CE-CZ 3.43Å; K274-F574 HydrophobicContact CG-CD2 4.31Å; K274-F574 HydrophobicContact CG-CE2 3.7Å; K274-F574 HydrophobicContact CG-CZ 3.86Å
575	L	35.2	Very low	34	Very low	175 Å²	175	112 Å²	112	92%	0.916	63%	0.63	S	S	*	*			trans	-136.5	68.1	145.3	-74.4	176.4	0	0	0	109.4	S577	L575-S577 PolarHBondContact O-N 3.19Å
576	D	30.1	Very low	34.1	Very low	164 Å²	164	116.5 Å²	116.5	88%	0.877	65%	0.649	S	S	*	*			trans	-80.6	109.3	154.8	-86.2	-18	0	0	0	107.2	S578	D576-S578 PolarHBondContact O-N 3.27Å
577	S	34.8	Very low	34.6	Very low	117 Å²	117	111 Å²	111	82%	0.818	64%	0.637	S	S	*	*			trans	-58.4	118.3	171.6	51.4	0	0	0	0	111	L575	L575-S577 PolarHBondContact O-N 3.19Å
578	S	31	Very low	34.6	Very low	195 Å²	195	110.8 Å²	110.8	100%	1.364	64%	0.641	S	S	*	*			trans	-150.1	0	153.1	-65.9	0	0	0	0	109.1	D576	D576-S578 PolarHBondContact O-N 3.27Å

Retrieved 578 of 578 residues in 242.6 ms (Link to these results)

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