A0A061ID38_CRIGR Loading...

Acyloxyacyl hydrolase

AlphaFold DB , UniProt , Accession A0A061ID38, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Aoah, Length 575 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32	Very low	28.1	Very low	249 Å²	249	126.2 Å²	126.2	100%	1.227	64%	0.643	S	S	*	*				0	101.4	0	-70.5	164.7	81.5	0	0	108.1
2	K	24.8	Very low	28.4	Very low	210 Å²	210	118.5 Å²	118.5	91%	0.913	61%	0.608	S	S	*	*			trans	-116.4	137.1	172.7	-78.6	-178.2	176	-179.9	0	107.1
3	S	23.9	Very low	28.6	Very low	82 Å²	82	113.1 Å²	113.1	57%	0.573	58%	0.58	S	S	*	*			trans	-54.4	142.5	-166.2	172.4	0	0	0	0	114.4	W5	S3-W5 PolarHBondContact O-N 3.04Å; S3-W5 VanDerWaalsContact O-N 3.15Å; S3-W5 PolarHBondContact OG-N 3.04Å
4	P	27.6	Very low	29.2	Very low	109 Å²	109	106 Å²	106	71%	0.708	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	4.9	178.5	-10.8	27.1	0	0	0	115.5	T7	P4-T7 PolarHBondContact O-OG1 3.37Å
5	W	24.3	Very low	29.2	Very low	201 Å²	201	107.1 Å²	107.1	76%	0.761	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-11.5	-169.9	-145.4	-27	0	0	0	114.3	S3	S3-W5 PolarHBondContact O-N 3.04Å; S3-W5 VanDerWaalsContact O-N 3.15Å; S3-W5 PolarHBondContact OG-N 3.04Å
6	E	25.9	Very low	29.3	Very low	137 Å²	137	102.3 Å²	102.3	64%	0.64	53%	0.525	S	S	*	.	S	Bend	trans	-84.8	-16.8	-179.7	-75.2	-70.7	128.6	0	0	113.4	K9	E6-K9 IonicContact OE1-NZ 2.79Å; E6-K9 PolarHBondContact OE1-NZ 3.23Å; E6-K9 IonicContact OE2-NZ 2.73Å
7	T	29.9	Very low	29.3	Very low	116 Å²	116	98.9 Å²	98.9	71%	0.712	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-6.6	-177.9	9	0	0	0	0	114.8	P4	P4-T7 PolarHBondContact O-OG1 3.37Å
8	L	30	Very low	29.3	Very low	116 Å²	116	97.8 Å²	97.8	61%	0.607	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	0.5	-178.4	-96.2	132.4	0	0	0	114.4
9	K	28	Very low	29.2	Very low	96 Å²	96	95.7 Å²	95.7	42%	0.417	50%	0.498	S	S	.	.	S	Bend	trans	-94.7	-0.8	-168.9	-69.6	179	-179.9	169.7	0	115.7	E6	E6-K9 IonicContact OE1-NZ 2.79Å; E6-K9 PolarHBondContact OE1-NZ 3.23Å; E6-K9 IonicContact OE2-NZ 2.73Å
10	A	31.3	Very low	29.2	Very low	34 Å²	34	96.9 Å²	96.9	28%	0.281	50%	0.501	S	S	.	.	S	Bend	trans	-121.9	-13.7	-172	0	0	0	0	0	115.5	F78	A10-F78 HydrophobicContact CB-CD1 4.31Å; A10-F78 HydrophobicContact CB-CE1 3.99Å; A10-F78 HydrophobicContact CB-CE2 4.37Å; A10-F78 HydrophobicContact CB-CZ 4.02Å
11	T	31.6	Very low	29.2	Very low	38 Å²	38	92.9 Å²	92.9	23%	0.233	48%	0.481	C	S	.	.	G	3₁₀ helix	trans	-67	-36.5	-173.7	-25.9	0	0	0	0	115.1	L13 Y85	T11-L13 PolarHBondContact O-N 3.4Å; T11-Y85 HydrophobicContact CG2-CD1 3.79Å; T11-Y85 HydrophobicContact CG2-CE1 4.13Å; T11-Y85 HydrophobicContact CG2-CG 4.17Å
12	P	31	Very low	29	Very low	34 Å²	34	84.1 Å²	84.1	22%	0.221	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-88.9	3.9	-171.3	20.7	-15.8	0	0	0	117.3	F14 I159	P12-F14 PolarHBondContact O-N 3.13Å; P12-I159 HydrophobicContact CB-CB 3.53Å; P12-I159 HydrophobicContact CB-CD1 4.38Å; P12-I159 HydrophobicContact CB-CG1 4.18Å; P12-I159 HydrophobicContact CG-CB 3.5Å; P12-I159 HydrophobicContact CG-CD1 3.77Å; P12-I159 HydrophobicContact CG-CG1 3.59Å; P12-I159 WeakPolarHBondContact O-CG2 3.32Å
13	L	31.2	Very low	29.1	Very low	48 Å²	48	75.8 Å²	75.8	25%	0.251	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-70.1	-20.4	172.3	-160.1	79.7	0	0	0	111.6	T11 I159	T11-L13 PolarHBondContact O-N 3.4Å; L13-I159 HydrophobicContact CB-CD1 4Å; L13-I159 HydrophobicContact CB-CG2 3.94Å; L13-I159 HydrophobicContact CD1-CG2 3.75Å; L13-I159 HydrophobicContact CG-CG2 4.43Å; L13-I159 VanDerWaalsContact N-CG2 3.29Å
14	F	37.1	Very low	29.4	Very low	14 Å²	14	74.1 Å²	74.1	6%	0.061	40%	0.398	C	S	.	.	H	α-helix	trans	-97	-26.9	-164.8	-171.2	-100.5	0	0	0	112.9	P12 L16 L17 L18 L77 L79 T82 L292	P12-F14 PolarHBondContact O-N 3.13Å; F14-L16 PolarHBondContact O-N 2.91Å; F14-L17 PolarHBondContact O-N 3.33Å; F14-L18 HydrophobicContact CD1-CD1 3.88Å; F14-L18 HydrophobicContact CE1-CD1 3.27Å; F14-L18 HydrophobicContact CE1-CG 4.03Å; F14-L18 HydrophobicContact CZ-CD1 3.85Å; F14-L18 HydrophobicContact CZ-CG 4.15Å; F14-L18 PolarHBondContact O-N 3.19Å; F14-L77 VanDerWaalsContact CD2-O 3.25Å; F14-L77 WeakPolarHBondContact CD2-O 3.29Å; F14-L77 HydrophobicContact CE2-CB 4.5Å; F14-L79 HydrophobicContact CE1-CD2 4.28Å; F14-L79 HydrophobicContact CE2-CD2 3.42Å; F14-L79 VanDerWaalsContact CE2-CD2 3.42Å; F14-L79 HydrophobicContact CE2-CG 3.95Å; F14-L79 HydrophobicContact CZ-CD2 3.17Å; F14-L79 HydrophobicContact CZ-CG 4.12Å; F14-T82 HydrophobicContact CD1-CG2 3.73Å; F14-T82 HydrophobicContact CE1-CG2 4.04Å; F14-L292 HydrophobicContact CE2-CD1 4.41Å
15	L	29.4	Very low	29.2	Very low	123 Å²	123	72.3 Å²	72.3	64%	0.644	39%	0.392	S	S	*	.	H	α-helix	trans	-63.5	-27.5	171.4	-91.8	151.3	0	0	0	112.6	S19	L15-S19 VanDerWaalsContact O-CB 3.32Å; L15-S19 WeakPolarHBondContact O-CB 3.44Å; L15-S19 PolarHBondContact O-N 2.96Å; L15-S19 PolarHBondContact O-OG 3.17Å
16	L	30.2	Very low	29.3	Very low	30 Å²	30	65.2 Å²	65.2	16%	0.157	37%	0.371	C	S	.	.	H	α-helix	trans	-70.3	-39.4	174	-96.7	145.9	0	0	0	112.8	F14 S19 H20 N158 C160 E173	F14-L16 PolarHBondContact O-N 2.91Å; L16-S19 PolarHBondContact O-OG 2.86Å; L16-H20 WeakPolarHBondContact O-CB 3.47Å; L16-H20 PolarHBondContact O-N 3.33Å; L16-H20 VanDerWaalsContact O-N 3.17Å; L16-H20 PolarHBondContact O-ND1 3Å; L16-N158 WeakPolarHBondContact CD1-OD1 3.4Å; L16-C160 HydrophobicContact CD1-CB 4.44Å; L16-C160 WeakPolarHBondContact CD1-SG 3.11Å; L16-E173 WeakPolarHBondContact CD2-OE1 3.49Å
17	L	29.4	Very low	29.5	Very low	45 Å²	45	64.4 Å²	64.4	24%	0.236	36%	0.364	C	S	.	.	H	α-helix	trans	-70.7	-42.8	-179.2	-75.6	161.7	0	0	0	111.4	F14 S21	F14-L17 PolarHBondContact O-N 3.33Å; L17-S21 VanDerWaalsContact O-CB 3.28Å; L17-S21 WeakPolarHBondContact O-CB 3.47Å; L17-S21 PolarHBondContact O-N 3.49Å; L17-S21 PolarHBondContact O-OG 3.38Å
18	L	29	Very low	29.4	Very low	78 Å²	78	65.7 Å²	65.7	41%	0.408	36%	0.361	S	S	.	.	H	α-helix	trans	-70	-33.6	177.6	-80.8	167.1	0	0	0	114	F14 S21	F14-L18 HydrophobicContact CD1-CD1 3.88Å; F14-L18 HydrophobicContact CE1-CD1 3.27Å; F14-L18 HydrophobicContact CE1-CG 4.03Å; F14-L18 HydrophobicContact CZ-CD1 3.85Å; F14-L18 HydrophobicContact CZ-CG 4.15Å; F14-L18 PolarHBondContact O-N 3.19Å; L18-S21 PolarHBondContact O-OG 2.84Å
19	S	28.4	Very low	29.4	Very low	59 Å²	59	67.6 Å²	67.6	41%	0.413	37%	0.372	S	S	.	.	H	α-helix	trans	-77.3	-25.1	178.3	50.9	0	0	0	0	113.3	L15 L16	L15-S19 VanDerWaalsContact O-CB 3.32Å; L15-S19 WeakPolarHBondContact O-CB 3.44Å; L15-S19 PolarHBondContact O-N 2.96Å; L15-S19 PolarHBondContact O-OG 3.17Å; L16-S19 PolarHBondContact O-OG 2.86Å
20	H	29.3	Very low	29.3	Very low	119 Å²	119	71.4 Å²	71.4	55%	0.551	39%	0.392	S	S	*	.	H	α-helix	trans	-91.3	-25.3	176.4	-72.7	69.3	0	0	0	113.4	L16	L16-H20 WeakPolarHBondContact O-CB 3.47Å; L16-H20 PolarHBondContact O-N 3.33Å; L16-H20 VanDerWaalsContact O-N 3.17Å; L16-H20 PolarHBondContact O-ND1 3Å
21	S	28.9	Very low	29	Very low	13 Å²	13	76.5 Å²	76.5	9%	0.091	42%	0.422	C	S	.	.	H	α-helix	trans	-81.2	-20.3	-177.9	57	0	0	0	0	114.5	L17 L18	L17-S21 VanDerWaalsContact O-CB 3.28Å; L17-S21 WeakPolarHBondContact O-CB 3.47Å; L17-S21 PolarHBondContact O-N 3.49Å; L17-S21 PolarHBondContact O-OG 3.38Å; L18-S21 PolarHBondContact O-OG 2.84Å
22	L	27.7	Very low	28.8	Very low	64 Å²	64	76.9 Å²	76.9	34%	0.335	43%	0.434	S	S	.	.	S	Bend	trans	-88.4	-10.1	172.5	-82.6	159	0	0	0	113.2	S24 H39	L22-S24 PolarHBondContact O-N 3.42Å; L22-H39 HydrophobicContact CB-CB 4.49Å; L22-H39 PolarHBondContact O-CE1 3.16Å; L22-H39 PolarHBondContact O-ND1 2.97Å
23	A	28	Very low	28.8	Very low	36 Å²	36	81.4 Å²	81.4	30%	0.298	46%	0.46	S	S	.	.			trans	-86.4	95.8	-179.8	0	0	0	0	0	110.1	A25	A23-A25 PolarHBondContact O-N 2.7Å
24	S	28.8	Very low	28.9	Very low	47 Å²	47	81.2 Å²	81.2	33%	0.329	46%	0.463	S	S	.	.			trans	-68.3	26.7	166	35.5	0	0	0	0	113.5	L22 G341	L22-S24 PolarHBondContact O-N 3.42Å; S24-G341 WeakPolarHBondContact O-CA 3.22Å
25	A	24.9	Very low	29	Very low	70 Å²	70	85.4 Å²	85.4	58%	0.579	48%	0.479	S	S	*	.			trans	-149.6	105.8	-179.4	0	0	0	0	0	112.8	A23 Y27	A23-A25 PolarHBondContact O-N 2.7Å; A25-Y27 PolarHBondContact O-N 3.31Å
26	P	24.9	Very low	30.3	Very low	52 Å²	52	82.9 Å²	82.9	34%	0.338	47%	0.472	S	S	.	.			trans	-87.7	92.8	150.5	31.5	-21.8	0	0	0	107.1	N340 N346	P26-N340 WeakPolarHBondContact CD-O 3.48Å; P26-N346 PolarHBondContact O-ND2 3.09Å; P26-N346 VanDerWaalsContact O-ND2 3.1Å
27	Y	30.1	Very low	32.2	Very low	121 Å²	121	82.6 Å²	82.6	48%	0.475	47%	0.471	S	S	.	.			trans	-136.1	144	160.1	-146.3	-89.8	0	0	0	111	A25 R345 N346	A25-Y27 PolarHBondContact O-N 3.31Å; Y27-R345 HydrophobicContact CE2-CB 4.16Å; Y27-N346 HydrophobicContact CD2-CB 4.05Å; Y27-N346 HydrophobicContact CE2-CB 4.05Å
28	E	28.6	Very low	34.6	Very low	142 Å²	142	80.8 Å²	80.8	66%	0.664	46%	0.463	S	S	*	.			trans	-22.3	130	-167.3	-70.8	172.7	152.4	0	0	117.7	Q30	E28-Q30 PolarHBondContact O-N 3.1Å
29	D	30.8	Very low	36.9	Very low	157 Å²	157	78.8 Å²	78.8	84%	0.84	45%	0.451	S	S	*	.			trans	-42.6	103.7	165.4	-85	-45.5	0	0	0	111.3
30	Q	24.3	Very low	39.2	Very low	176 Å²	176	79.6 Å²	79.6	82%	0.822	45%	0.451	S	S	*	.			trans	-124	130	145	-73.8	-148	-15.3	0	0	109.2	E28 G32	E28-Q30 PolarHBondContact O-N 3.1Å; Q30-G32 PolarHBondContact O-N 2.85Å
31	P	26.4	Very low	41.8	Very low	140 Å²	140	74 Å²	74	91%	0.909	43%	0.425	S	S	*	.			trans	-74.6	89.9	-176.3	30.2	-32.2	0	0	0	109.8
32	G	27.3	Very low	44.6	Very low	47 Å²	47	74.1 Å²	74.1	49%	0.485	43%	0.425	S	S	.	.			trans	-114.3	115.3	170.7	0	0	0	0	0	110.6	Q30 S34	Q30-G32 PolarHBondContact O-N 2.85Å; G32-S34 PolarHBondContact O-N 3.42Å
33	T	31.1	Very low	47.1	Very low	128 Å²	128	72.4 Å²	72.4	79%	0.785	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	5.8	-178.4	47.1	0	0	0	0	115.9	N37	T33-N37 PolarHBondContact O-ND2 3.33Å; T33-N37 VanDerWaalsContact O-ND2 3.07Å
34	S	32.3	Very low	49.9	Very low	45 Å²	45	71.4 Å²	71.4	32%	0.315	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-40	-172.3	-177.4	0	0	0	0	113.3	G32 S36 N37	G32-S34 PolarHBondContact O-N 3.42Å; S34-S36 PolarHBondContact O-N 3.37Å; S34-N37 PolarHBondContact O-N 2.91Å
35	Y	39.4	Very low	52.9	Low	101 Å²	101	69.2 Å²	69.2	40%	0.396	40%	0.398	S	S	.	.	H	α-helix	trans	-65.3	-34.7	-174.9	-78.8	-75.1	0	0	0	114.7	N37 G38 K379	Y35-N37 PolarHBondContact O-N 3.44Å; Y35-G38 PolarHBondContact O-N 3.37Å; Y35-K379 WeakPolarHBondContact OH-CD 3.37Å; Y35-K379 WeakPolarHBondContact OH-CE 3.29Å; Y35-K379 PolarHBondContact OH-NZ 3.4Å
36	S	56.6	Low	56	Low	70 Å²	70	67.2 Å²	67.2	49%	0.49	38%	0.379	S	S	.	.	H	α-helix	trans	-69.4	-21.3	178.6	62.6	0	0	0	0	113.2	S34 N40	S34-S36 PolarHBondContact O-N 3.37Å; S36-N40 PolarHBondContact O-N 3.06Å; S36-N40 PolarHBondContact O-ND2 3.32Å
37	N	69.9	Low	59	Low	25 Å²	25	68.2 Å²	68.2	13%	0.134	38%	0.384	C	S	.	.	H	α-helix	trans	-75.3	-35.2	180	-62.9	-38.4	0	0	0	112.1	T33 S34 Y35 N40 C41 K115	T33-N37 PolarHBondContact O-ND2 3.33Å; T33-N37 VanDerWaalsContact O-ND2 3.07Å; S34-N37 PolarHBondContact O-N 2.91Å; Y35-N37 PolarHBondContact O-N 3.44Å; N37-N40 PolarHBondContact O-N 2.96Å; N37-C41 WeakPolarHBondContact O-CB 3.35Å; N37-C41 PolarHBondContact O-N 2.94Å; N37-K115 PolarHBondContact OD1-NZ 3.48Å
38	G	79.6	Confident	62.1	Low	6 Å²	6	62.6 Å²	62.6	6%	0.062	36%	0.363	C	S	.	.	H	α-helix	trans	-64.8	-49.3	-178.9	0	0	0	0	0	113	Y35 N40 C41 V42	Y35-G38 PolarHBondContact O-N 3.37Å; G38-N40 VanDerWaalsContact C-N 3.34Å; G38-N40 PolarHBondContact O-N 2.89Å; G38-C41 WeakPolarHBondContact O-CB 3.27Å; G38-C41 PolarHBondContact O-N 3.25Å; G38-C41 VanDerWaalsContact O-N 3.17Å; G38-V42 PolarHBondContact O-N 3.24Å
39	H	76.8	Confident	65.3	Low	36 Å²	36	55.9 Å²	55.9	17%	0.167	33%	0.331	C	S	.	.	H	α-helix	trans	-65.2	-36.6	178.2	-65.2	-68.7	0	0	0	112.8	L22 C41 V42 G43	L22-H39 HydrophobicContact CB-CB 4.49Å; L22-H39 PolarHBondContact O-CE1 3.16Å; L22-H39 PolarHBondContact O-ND1 2.97Å; H39-C41 VanDerWaalsContact C-N 3.32Å; H39-C41 PolarHBondContact O-N 2.99Å; H39-V42 PolarHBondContact O-N 3.44Å; H39-G43 PolarHBondContact O-N 3.14Å
40	N	78.2	Confident	68.5	Low	76 Å²	76	48.6 Å²	48.6	41%	0.406	29%	0.292	S	S	.	.	H	α-helix	trans	-62.9	-39.7	173.4	-71.9	-20.1	0	0	0	111.7	S36 N37 G38 C44	S36-N40 PolarHBondContact O-N 3.06Å; S36-N40 PolarHBondContact O-ND2 3.32Å; N37-N40 PolarHBondContact O-N 2.96Å; G38-N40 VanDerWaalsContact C-N 3.34Å; G38-N40 PolarHBondContact O-N 2.89Å; N40-C44 WeakPolarHBondContact O-CB 3.39Å; N40-C44 PolarHBondContact O-N 3.05Å
41	C	84.2	Confident	72	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.007	26%	0.255	C	S	.	.	H	α-helix	trans	-63.5	-49.4	175.4	-178.1	0	0	0	0	111.5	N37 G38 H39 G43 C44 V45 C114 L454	N37-C41 WeakPolarHBondContact O-CB 3.35Å; N37-C41 PolarHBondContact O-N 2.94Å; G38-C41 WeakPolarHBondContact O-CB 3.27Å; G38-C41 PolarHBondContact O-N 3.25Å; G38-C41 VanDerWaalsContact O-N 3.17Å; H39-C41 VanDerWaalsContact C-N 3.32Å; H39-C41 PolarHBondContact O-N 2.99Å; C41-G43 PolarHBondContact O-N 3.38Å; C41-C44 PolarHBondContact O-N 3.03Å; C41-V45 WeakPolarHBondContact O-CG2 3.13Å; C41-V45 PolarHBondContact O-N 3.38Å; C41-C114 WeakPolarHBondContact CA-SG 3.48Å; C41-C114 HydrophobicContact CB-CB 3.87Å; C41-C114 WeakPolarHBondContact CB-SG 3.18Å; C41-C114 WeakPolarHBondContact SG-CB 3.48Å; C41-C114 CovalentContact SG-SG 2.04Å; C41-C114 PolarHBondContact SG-SG 3.16Å; C41-L454 HydrophobicContact CB-CD1 4.08Å; C41-L454 HydrophobicContact CB-CD2 4.07Å
42	V	86.1	Confident	75.4	Confident	16 Å²	16	36 Å²	36	10%	0.097	22%	0.222	C	C	.	.	H	α-helix	trans	-56.3	-49.9	175.4	175.9	0	0	0	0	110.7	G38 H39 C44 V45 V46 F450 L451 L454 V456	G38-V42 PolarHBondContact O-N 3.24Å; H39-V42 PolarHBondContact O-N 3.44Å; V42-C44 VanDerWaalsContact C-N 3.34Å; V42-C44 PolarHBondContact O-N 3.2Å; V42-V45 PolarHBondContact O-N 3.18Å; V42-V46 HydrophobicContact CG1-CG2 4.05Å; V42-V46 WeakPolarHBondContact O-CB 3.5Å; V42-V46 WeakPolarHBondContact O-CG2 3.39Å; V42-V46 PolarHBondContact O-N 3.41Å; V42-F450 HydrophobicContact CG2-CE1 3.9Å; V42-F450 HydrophobicContact CG2-CZ 4.46Å; V42-L451 HydrophobicContact CG2-CD2 3.83Å; V42-L454 HydrophobicContact CG2-CD1 3.62Å; V42-V456 HydrophobicContact CG2-CG2 3.91Å
43	G	80.2	Confident	78.7	Confident	29 Å²	29	34 Å²	34	30%	0.299	20%	0.2	S	C	.	.	H	α-helix	trans	-59.2	-42.6	-179.5	0	0	0	0	0	113	H39 C41 V47	H39-G43 PolarHBondContact O-N 3.14Å; C41-G43 PolarHBondContact O-N 3.38Å; G43-V47 WeakPolarHBondContact O-CB 3.42Å; G43-V47 VanDerWaalsContact O-CG2 3.29Å; G43-V47 WeakPolarHBondContact O-CG2 3.36Å; G43-V47 PolarHBondContact O-N 2.94Å; G43-V47 VanDerWaalsContact O-N 3.11Å
44	C	86.9	Confident	81.9	Confident	15 Å²	15	28 Å²	28	10%	0.101	16%	0.162	C	C	.	.	H	α-helix	trans	-62.3	-51.6	175.2	179.4	0	0	0	0	111.4	N40 C41 V42 V46 V47 V48 C108 F113	N40-C44 WeakPolarHBondContact O-CB 3.39Å; N40-C44 PolarHBondContact O-N 3.05Å; C41-C44 PolarHBondContact O-N 3.03Å; V42-C44 VanDerWaalsContact C-N 3.34Å; V42-C44 PolarHBondContact O-N 3.2Å; C44-V46 VanDerWaalsContact C-N 3.34Å; C44-V46 PolarHBondContact O-N 2.89Å; C44-V47 PolarHBondContact O-N 3.37Å; C44-V48 WeakPolarHBondContact O-CG2 3.16Å; C44-V48 PolarHBondContact O-N 3.42Å; C44-C108 HydrophobicContact CB-CB 3.8Å; C44-C108 WeakPolarHBondContact CB-SG 3.46Å; C44-C108 PolarHBondContact O-SG 2.96Å; C44-C108 WeakPolarHBondContact SG-CA 3.28Å; C44-C108 WeakPolarHBondContact SG-CB 3.48Å; C44-C108 CovalentContact SG-SG 2.04Å; C44-C108 PolarHBondContact SG-SG 3.34Å; C44-F113 HydrophobicContact CB-CB 3.58Å; C44-F113 HydrophobicContact CB-CD1 4.33Å; C44-F113 HydrophobicContact CB-CD2 4.22Å; C44-F113 HydrophobicContact CB-CG 3.81Å
45	V	92.4	Very high	85.1	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59	-48.6	-176.7	172	0	0	0	0	109.7	C41 V42 V47 V48 S49 A104 C108 L125 Y126 F450	C41-V45 WeakPolarHBondContact O-CG2 3.13Å; C41-V45 PolarHBondContact O-N 3.38Å; V42-V45 PolarHBondContact O-N 3.18Å; V45-V47 PolarHBondContact O-N 2.95Å; V45-V48 PolarHBondContact O-N 2.94Å; V45-S49 VanDerWaalsContact O-CB 3.31Å; V45-S49 WeakPolarHBondContact O-CB 3.44Å; V45-S49 PolarHBondContact O-N 3.33Å; V45-S49 PolarHBondContact O-OG 3.03Å; V45-A104 HydrophobicContact CG1-CB 4.08Å; V45-C108 HydrophobicContact CG2-CB 3.93Å; V45-C108 PolarHBondContact N-SG 3.45Å; V45-L125 HydrophobicContact CG1-CB 4.16Å; V45-L125 HydrophobicContact CG1-CD2 3.71Å; V45-Y126 HydrophobicContact CG1-CE2 4.17Å; V45-F450 HydrophobicContact CB-CZ 4.24Å; V45-F450 HydrophobicContact CG1-CZ 4.44Å; V45-F450 HydrophobicContact CG2-CZ 3.95Å
46	V	89.7	Confident	87.9	Confident	29 Å²	29	25.5 Å²	25.5	18%	0.176	15%	0.152	C	C	.	.	H	α-helix	trans	-55.8	-49.5	177.7	173.2	0	0	0	0	112.1	V42 C44 S49 V50 L275 L435	V42-V46 HydrophobicContact CG1-CG2 4.05Å; V42-V46 WeakPolarHBondContact O-CB 3.5Å; V42-V46 WeakPolarHBondContact O-CG2 3.39Å; V42-V46 PolarHBondContact O-N 3.41Å; C44-V46 VanDerWaalsContact C-N 3.34Å; C44-V46 PolarHBondContact O-N 2.89Å; V46-S49 PolarHBondContact O-N 3.38Å; V46-V50 WeakPolarHBondContact O-CG2 3.46Å; V46-V50 PolarHBondContact O-N 3.26Å; V46-L275 HydrophobicContact CG1-CD2 3.44Å; V46-L275 VanDerWaalsContact CG1-CD2 3.44Å; V46-L435 HydrophobicContact CG1-CD1 4.5Å; V46-L435 HydrophobicContact CG2-CD1 3.98Å
47	V	87.6	Confident	89.9	Confident	73 Å²	73	24.7 Å²	24.7	44%	0.442	14%	0.144	S	C	.	.	H	α-helix	trans	-66.2	-44.1	-177.4	170	0	0	0	0	111.4	G43 C44 V45 V50 I51	G43-V47 WeakPolarHBondContact O-CB 3.42Å; G43-V47 VanDerWaalsContact O-CG2 3.29Å; G43-V47 WeakPolarHBondContact O-CG2 3.36Å; G43-V47 PolarHBondContact O-N 2.94Å; G43-V47 VanDerWaalsContact O-N 3.11Å; C44-V47 PolarHBondContact O-N 3.37Å; V45-V47 PolarHBondContact O-N 2.95Å; V47-V50 PolarHBondContact O-N 2.95Å; V47-I51 HydrophobicContact CG1-CD1 3.82Å; V47-I51 VanDerWaalsContact O-CG1 3.3Å; V47-I51 WeakPolarHBondContact O-CG1 3.42Å; V47-I51 PolarHBondContact O-N 2.72Å
48	V	94.9	Very high	91.2	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.018	15%	0.154	C	C	.	.	H	α-helix	trans	-64.7	-41.9	178.6	175.8	0	0	0	0	110.6	C44 V45 V50 I51 E52 I94 L98 A104 V107	C44-V48 WeakPolarHBondContact O-CG2 3.16Å; C44-V48 PolarHBondContact O-N 3.42Å; V45-V48 PolarHBondContact O-N 2.94Å; V48-V50 PolarHBondContact O-N 3.47Å; V48-I51 PolarHBondContact O-N 3.4Å; V48-E52 PolarHBondContact O-N 3.02Å; V48-I94 HydrophobicContact CG2-CD1 4.47Å; V48-L98 HydrophobicContact CG1-CD1 4.4Å; V48-L98 HydrophobicContact CG1-CD2 4.05Å; V48-A104 HydrophobicContact CB-CB 3.89Å; V48-A104 HydrophobicContact CG1-CB 3.75Å; V48-V107 HydrophobicContact CG1-CB 4.11Å; V48-V107 HydrophobicContact CG1-CG1 4.05Å; V48-V107 HydrophobicContact CG1-CG2 4.28Å; V48-V107 HydrophobicContact CG2-CG1 4.04Å
49	S	97.1	Very high	92	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-57.9	-46.1	173.9	-63.2	0	0	0	0	112.4	V45 V46 I51 E52 Q53 A104 Y126	V45-S49 VanDerWaalsContact O-CB 3.31Å; V45-S49 WeakPolarHBondContact O-CB 3.44Å; V45-S49 PolarHBondContact O-N 3.33Å; V45-S49 PolarHBondContact O-OG 3.03Å; V46-S49 PolarHBondContact O-N 3.38Å; S49-I51 VanDerWaalsContact C-N 3.34Å; S49-I51 PolarHBondContact O-N 3.14Å; S49-E52 PolarHBondContact O-N 3.32Å; S49-Q53 WeakPolarHBondContact O-CB 3.23Å; S49-Q53 VanDerWaalsContact O-CG 3.23Å; S49-Q53 WeakPolarHBondContact O-CG 3.44Å; S49-Q53 PolarHBondContact O-N 3.25Å; S49-A104 WeakPolarHBondContact OG-CB 3.31Å; S49-Y126 WeakPolarHBondContact CB-OH 3.3Å; S49-Y126 WeakPolarHBondContact OG-CE2 3.48Å; S49-Y126 PolarHBondContact OG-OH 3.47Å
50	V	96.9	Very high	93	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.03	19%	0.193	C	C	.	.	H	α-helix	trans	-63.9	-40.1	177.8	168.4	0	0	0	0	111.4	V46 V47 V48 L54 L69 L275 M280 L435	V46-V50 WeakPolarHBondContact O-CG2 3.46Å; V46-V50 PolarHBondContact O-N 3.26Å; V47-V50 PolarHBondContact O-N 2.95Å; V48-V50 PolarHBondContact O-N 3.47Å; V50-L54 HydrophobicContact CG1-CD1 3.92Å; V50-L54 HydrophobicContact CG1-CG 4.34Å; V50-L54 VanDerWaalsContact O-CB 3.31Å; V50-L54 WeakPolarHBondContact O-CB 3.23Å; V50-L54 VanDerWaalsContact O-CG 3.3Å; V50-L54 WeakPolarHBondContact O-CG 3.38Å; V50-L54 PolarHBondContact O-N 3.31Å; V50-L69 HydrophobicContact CG1-CD1 4.05Å; V50-L69 HydrophobicContact CG1-CD2 4.23Å; V50-L275 HydrophobicContact CG2-CD2 4.41Å; V50-M280 HydrophobicContact CG1-CE 3.6Å; V50-M280 HydrophobicContact CG1-SD 4.04Å; V50-L435 HydrophobicContact CG2-CD2 4.07Å
51	I	97.4	Very high	94	Very high	6 Å²	6	33.5 Å²	33.5	3%	0.031	20%	0.195	C	C	.	.	H	α-helix	trans	-62.3	-47.2	176.6	-70.5	162.5	0	0	0	110.8	V47 V48 S49 L54 A55 V62 A65 M66 L69 L98	V47-I51 HydrophobicContact CG1-CD1 3.82Å; V47-I51 VanDerWaalsContact O-CG1 3.3Å; V47-I51 WeakPolarHBondContact O-CG1 3.42Å; V47-I51 PolarHBondContact O-N 2.72Å; V48-I51 PolarHBondContact O-N 3.4Å; S49-I51 VanDerWaalsContact C-N 3.34Å; S49-I51 PolarHBondContact O-N 3.14Å; I51-L54 PolarHBondContact O-N 3.19Å; I51-A55 PolarHBondContact O-N 3.1Å; I51-V62 HydrophobicContact CG2-CG1 3.83Å; I51-A65 HydrophobicContact CG2-CB 4.35Å; I51-A65 WeakPolarHBondContact O-CB 3.43Å; I51-M66 HydrophobicContact CD1-CG 3.8Å; I51-M66 HydrophobicContact CD1-SD 4.39Å; I51-M66 HydrophobicContact CG1-CG 4.03Å; I51-M66 HydrophobicContact CG2-CG 3.7Å; I51-L69 HydrophobicContact CG1-CD2 3.87Å; I51-L98 HydrophobicContact CG2-CD1 4.35Å
52	E	98	Very high	94.6	Very high	46 Å²	46	34.6 Å²	34.6	22%	0.215	20%	0.202	C	C	.	.	H	α-helix	trans	-59.8	-49.9	177.8	-178	168	-142.2	0	0	110.8	V48 S49 L54 A55 E56 L98	V48-E52 PolarHBondContact O-N 3.02Å; S49-E52 PolarHBondContact O-N 3.32Å; E52-L54 PolarHBondContact O-N 2.97Å; E52-A55 WeakPolarHBondContact O-CA 3.48Å; E52-A55 VanDerWaalsContact O-CB 3.29Å; E52-A55 WeakPolarHBondContact O-CB 3.37Å; E52-A55 PolarHBondContact O-N 3.5Å; E52-E56 WeakPolarHBondContact O-CG 3.34Å; E52-E56 PolarHBondContact O-N 2.57Å; E52-L98 HydrophobicContact CB-CD1 4.26Å
53	Q	98.3	Very high	95.1	Very high	5 Å²	5	40.1 Å²	40.1	2%	0.023	23%	0.227	C	C	.	.	H	α-helix	trans	-65.5	-35.5	179.2	-67.5	177.9	21.7	0	0	113.2	S49 A55 E56 V57 A277 L435 L438	S49-Q53 WeakPolarHBondContact O-CB 3.23Å; S49-Q53 VanDerWaalsContact O-CG 3.23Å; S49-Q53 WeakPolarHBondContact O-CG 3.44Å; S49-Q53 PolarHBondContact O-N 3.25Å; Q53-A55 VanDerWaalsContact C-N 3.29Å; Q53-A55 PolarHBondContact O-N 3.42Å; Q53-E56 PolarHBondContact O-N 3.25Å; Q53-V57 WeakPolarHBondContact O-CB 3.46Å; Q53-V57 WeakPolarHBondContact O-CG2 3.12Å; Q53-V57 PolarHBondContact O-N 3.18Å; Q53-A277 HydrophobicContact CB-CB 3.56Å; Q53-L435 PolarHBondContact NE2-O 3.23Å; Q53-L438 HydrophobicContact CB-CD2 3.76Å; Q53-L438 HydrophobicContact CG-CD2 3.81Å
54	L	98.2	Very high	96	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66	-33.9	172.8	-81.1	172.6	0	0	0	112.1	V50 I51 E52 H58 A65 L69 A277 M280	V50-L54 HydrophobicContact CG1-CD1 3.92Å; V50-L54 HydrophobicContact CG1-CG 4.34Å; V50-L54 VanDerWaalsContact O-CB 3.31Å; V50-L54 WeakPolarHBondContact O-CB 3.23Å; V50-L54 VanDerWaalsContact O-CG 3.3Å; V50-L54 WeakPolarHBondContact O-CG 3.38Å; V50-L54 PolarHBondContact O-N 3.31Å; I51-L54 PolarHBondContact O-N 3.19Å; E52-L54 PolarHBondContact O-N 2.97Å; L54-H58 WeakPolarHBondContact O-CB 3.36Å; L54-H58 PolarHBondContact O-CD2 3.37Å; L54-H58 PolarHBondContact O-N 2.79Å; L54-A65 HydrophobicContact CB-CB 3.98Å; L54-L69 HydrophobicContact CD1-CB 3.81Å; L54-L69 HydrophobicContact CD1-CD1 4.13Å; L54-L69 HydrophobicContact CD1-CG 4.43Å; L54-A277 HydrophobicContact CD2-CB 3.94Å; L54-A277 HydrophobicContact CG-CB 3.89Å; L54-M280 HydrophobicContact CD1-SD 3.91Å; L54-M280 HydrophobicContact CD2-CB 4.3Å; L54-M280 HydrophobicContact CD2-SD 4.21Å; L54-M280 HydrophobicContact CG-SD 4.38Å
55	A	98.3	Very high	96.5	Very high	12 Å²	12	41.1 Å²	41.1	10%	0.099	23%	0.226	C	C	.	.	H	α-helix	trans	-65.2	-44.8	173.7	0	0	0	0	0	110.4	I51 E52 Q53 N59 S60 A65	I51-A55 PolarHBondContact O-N 3.1Å; E52-A55 WeakPolarHBondContact O-CA 3.48Å; E52-A55 VanDerWaalsContact O-CB 3.29Å; E52-A55 WeakPolarHBondContact O-CB 3.37Å; E52-A55 PolarHBondContact O-N 3.5Å; Q53-A55 VanDerWaalsContact C-N 3.29Å; Q53-A55 PolarHBondContact O-N 3.42Å; A55-N59 WeakPolarHBondContact O-CA 3.26Å; A55-N59 PolarHBondContact O-N 2.9Å; A55-S60 WeakPolarHBondContact CB-O 3.45Å; A55-S60 PolarHBondContact O-N 3.4Å; A55-A65 HydrophobicContact CB-CB 3.82Å
56	E	97.9	Very high	96.7	Very high	83 Å²	83	41.3 Å²	41.3	39%	0.388	23%	0.227	S	C	.	.	H	α-helix	trans	-62.2	-56.2	176.6	-68.5	173.3	-165.8	0	0	112.6	E52 Q53 H58 N59 L438 N439	E52-E56 WeakPolarHBondContact O-CG 3.34Å; E52-E56 PolarHBondContact O-N 2.57Å; Q53-E56 PolarHBondContact O-N 3.25Å; E56-H58 PolarHBondContact O-N 3.32Å; E56-H58 VanDerWaalsContact O-N 3.17Å; E56-N59 PolarHBondContact O-N 3.43Å; E56-L438 HydrophobicContact CB-CD2 4.37Å; E56-L438 WeakPolarHBondContact OE2-CD2 3.21Å; E56-N439 PolarHBondContact OE1-ND2 3.22Å; E56-N439 PolarHBondContact OE2-ND2 3.46Å; E56-N439 PolarHBondContact OE2-OD1 3.21Å
57	V	98.2	Very high	97.1	Very high	53 Å²	53	44.5 Å²	44.5	32%	0.321	24%	0.24	S	C	.	.	H	α-helix	trans	-55.3	-38.4	-176.7	165.5	0	0	0	0	111.9	Q53 A277 L438	Q53-V57 WeakPolarHBondContact O-CB 3.46Å; Q53-V57 WeakPolarHBondContact O-CG2 3.12Å; Q53-V57 PolarHBondContact O-N 3.18Å; V57-A277 HydrophobicContact CG2-CB 4.21Å; V57-L438 HydrophobicContact CG2-CD1 4.07Å; V57-L438 HydrophobicContact CG2-CD2 3.86Å
58	H	97.9	Very high	97.6	Very high	77 Å²	77	43.5 Å²	43.5	36%	0.356	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	6.9	-177.4	-69.7	-77.2	0	0	0	114	L54 E56 S60 R68	L54-H58 WeakPolarHBondContact O-CB 3.36Å; L54-H58 PolarHBondContact O-CD2 3.37Å; L54-H58 PolarHBondContact O-N 2.79Å; E56-H58 PolarHBondContact O-N 3.32Å; E56-H58 VanDerWaalsContact O-N 3.17Å; H58-S60 PolarHBondContact O-N 2.67Å; H58-R68 PolarHBondContact CD2-NH1 3.13Å; H58-R68 VanDerWaalsContact CG-CZ 3.47Å; H58-R68 VanDerWaalsContact CG-NH1 3.26Å
59	N	97.6	Very high	97.7	Very high	156 Å²	156	44.2 Å²	44.2	83%	0.834	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.2	51.9	-175.6	-170.9	30.4	0	0	0	112	A55 E56	A55-N59 WeakPolarHBondContact O-CA 3.26Å; A55-N59 PolarHBondContact O-N 2.9Å; E56-N59 PolarHBondContact O-N 3.43Å
60	S	97.7	Very high	97.3	Very high	31 Å²	31	44.2 Å²	44.2	22%	0.217	23%	0.232	C	C	.	.			trans	-128	164.6	-171.2	63.8	0	0	0	0	111.7	A55 H58 R68	A55-S60 WeakPolarHBondContact CB-O 3.45Å; A55-S60 PolarHBondContact O-N 3.4Å; H58-S60 PolarHBondContact O-N 2.67Å; S60-R68 PolarHBondContact OG-NH1 2.9Å; S60-R68 VanDerWaalsContact OG-NH1 3.13Å
61	S	97.9	Very high	97.4	Very high	64 Å²	64	45.9 Å²	45.9	45%	0.448	24%	0.244	S	C	.	.			trans	-69.3	155.9	175	70.7	0	0	0	0	111.4	Q63 V64 A65	S61-Q63 PolarHBondContact O-N 3.04Å; S61-V64 PolarHBondContact O-N 2.83Å; S61-V64 WeakPolarHBondContact OG-CG2 3.47Å; S61-V64 PolarHBondContact OG-N 3.04Å; S61-A65 PolarHBondContact O-N 3.39Å
62	V	97.4	Very high	97.4	Very high	24 Å²	24	47.5 Å²	47.5	15%	0.145	25%	0.25	C	C	.	.	H	α-helix	trans	-53.8	-36.5	174.3	174.4	0	0	0	0	111.8	I51 A65 M66 I94 I95 L98	I51-V62 HydrophobicContact CG2-CG1 3.83Å; V62-A65 PolarHBondContact O-N 3.26Å; V62-M66 HydrophobicContact CG1-CE 4.22Å; V62-M66 WeakPolarHBondContact O-CG 3.44Å; V62-M66 PolarHBondContact O-N 3.43Å; V62-I94 HydrophobicContact CG1-CG2 4.09Å; V62-I95 HydrophobicContact CB-CG1 4.05Å; V62-I95 HydrophobicContact CG1-CG1 3.78Å; V62-L98 HydrophobicContact CG1-CD1 3.85Å; V62-L98 HydrophobicContact CG2-CB 3.93Å; V62-L98 HydrophobicContact CG2-CD1 3.9Å
63	Q	97.4	Very high	96.8	Very high	132 Å²	132	46.6 Å²	46.6	62%	0.617	25%	0.246	S	C	*	.	H	α-helix	trans	-62	-45.2	175.6	-173.9	178.5	-4.2	0	0	112.2	S61 A65 M66 E67 I95	S61-Q63 PolarHBondContact O-N 3.04Å; Q63-A65 VanDerWaalsContact C-N 3.33Å; Q63-M66 PolarHBondContact O-N 3.37Å; Q63-E67 PolarHBondContact O-N 3.46Å; Q63-I95 HydrophobicContact CB-CD1 3.87Å; Q63-I95 HydrophobicContact CG-CD1 4.35Å
64	V	98	Very high	96.1	Very high	65 Å²	65	47.5 Å²	47.5	39%	0.394	25%	0.253	S	S	.	.	H	α-helix	trans	-67.6	-36	177.6	172.9	0	0	0	0	110.9	S61 E67 R68	S61-V64 PolarHBondContact O-N 2.83Å; S61-V64 WeakPolarHBondContact OG-CG2 3.47Å; S61-V64 PolarHBondContact OG-N 3.04Å; V64-E67 PolarHBondContact O-N 3.16Å; V64-R68 VanDerWaalsContact O-CB 3.28Å; V64-R68 WeakPolarHBondContact O-CB 3.32Å; V64-R68 PolarHBondContact O-N 2.95Å
65	A	98.3	Very high	95.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.7	-43.3	175.4	0	0	0	0	0	112.5	I51 L54 A55 S61 V62 Q63 R68 L69	I51-A65 HydrophobicContact CG2-CB 4.35Å; I51-A65 WeakPolarHBondContact O-CB 3.43Å; L54-A65 HydrophobicContact CB-CB 3.98Å; A55-A65 HydrophobicContact CB-CB 3.82Å; S61-A65 PolarHBondContact O-N 3.39Å; V62-A65 PolarHBondContact O-N 3.26Å; Q63-A65 VanDerWaalsContact C-N 3.33Å; A65-R68 PolarHBondContact O-N 3.05Å; A65-L69 WeakPolarHBondContact O-CB 3.46Å; A65-L69 PolarHBondContact O-N 3.28Å
66	M	96.6	Very high	94.3	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.015	31%	0.306	C	S	.	.	H	α-helix	trans	-61.9	-46.1	174	-74.9	-171.2	-63.1	0	0	112.3	I51 V62 Q63 R68 L69 C70 V87 I95	I51-M66 HydrophobicContact CD1-CG 3.8Å; I51-M66 HydrophobicContact CD1-SD 4.39Å; I51-M66 HydrophobicContact CG1-CG 4.03Å; I51-M66 HydrophobicContact CG2-CG 3.7Å; V62-M66 HydrophobicContact CG1-CE 4.22Å; V62-M66 WeakPolarHBondContact O-CG 3.44Å; V62-M66 PolarHBondContact O-N 3.43Å; Q63-M66 PolarHBondContact O-N 3.37Å; M66-R68 VanDerWaalsContact C-N 3.31Å; M66-R68 PolarHBondContact O-N 3.11Å; M66-L69 PolarHBondContact O-N 2.91Å; M66-C70 PolarHBondContact O-N 2.74Å; M66-C70 PolarHBondContact O-SG 3.42Å; M66-C70 VanDerWaalsContact O-SG 3.39Å; M66-V87 HydrophobicContact CB-CG1 4.16Å; M66-V87 HydrophobicContact CB-CG2 3.85Å; M66-V87 HydrophobicContact CE-CG1 4.21Å; M66-V87 HydrophobicContact CG-CG2 4.28Å; M66-V87 HydrophobicContact SD-CG1 4.13Å; M66-V87 HydrophobicContact SD-CG2 4.14Å; M66-I95 HydrophobicContact CE-CD1 3.63Å; M66-I95 HydrophobicContact CE-CG1 3.66Å
67	E	97.8	Very high	92.9	Very high	96 Å²	96	58.7 Å²	58.7	45%	0.449	30%	0.302	S	S	.	.	H	α-helix	trans	-56.7	-47.2	174.6	179.4	61.6	-136.8	0	0	110.9	Q63 V64 C70 S71 Y84	Q63-E67 PolarHBondContact O-N 3.46Å; V64-E67 PolarHBondContact O-N 3.16Å; E67-C70 PolarHBondContact O-N 3.04Å; E67-S71 WeakPolarHBondContact O-CB 3.35Å; E67-S71 PolarHBondContact O-N 2.9Å; E67-Y84 WeakPolarHBondContact OE1-CE1 3.31Å; E67-Y84 PolarHBondContact OE1-OH 3.44Å; E67-Y84 WeakPolarHBondContact OE2-CE1 3.19Å
68	R	98.1	Very high	91.9	Very high	53 Å²	53	60.6 Å²	60.6	20%	0.2	31%	0.306	C	S	.	.	H	α-helix	trans	-60.4	-49.8	178.8	-178.9	178.2	-68.1	122.5	-1.5	111.6	H58 S60 V64 A65 M66 C70 S71 Y72	H58-R68 PolarHBondContact CD2-NH1 3.13Å; H58-R68 VanDerWaalsContact CG-CZ 3.47Å; H58-R68 VanDerWaalsContact CG-NH1 3.26Å; S60-R68 PolarHBondContact OG-NH1 2.9Å; S60-R68 VanDerWaalsContact OG-NH1 3.13Å; V64-R68 VanDerWaalsContact O-CB 3.28Å; V64-R68 WeakPolarHBondContact O-CB 3.32Å; V64-R68 PolarHBondContact O-N 2.95Å; A65-R68 PolarHBondContact O-N 3.05Å; M66-R68 VanDerWaalsContact C-N 3.31Å; M66-R68 PolarHBondContact O-N 3.11Å; R68-C70 PolarHBondContact O-N 3.18Å; R68-S71 WeakPolarHBondContact O-CB 3.48Å; R68-S71 PolarHBondContact O-N 3.04Å; R68-S71 VanDerWaalsContact O-N 3.13Å; R68-S71 PolarHBondContact O-OG 3.17Å; R68-Y72 WeakPolarHBondContact CD-OH 3.08Å; R68-Y72 HydrophobicContact CG-CD2 4.33Å; R68-Y72 HydrophobicContact CG-CE1 4.01Å; R68-Y72 HydrophobicContact CG-CE2 3.61Å; R68-Y72 VanDerWaalsContact CG-CZ 3.42Å; R68-Y72 WeakPolarHBondContact CG-OH 3.36Å; R68-Y72 PolarHBondContact O-N 3.01Å
69	L	95.8	Very high	90.7	Very high	18 Å²	18	57.4 Å²	57.4	9%	0.094	29%	0.292	C	S	.	.	H	α-helix	trans	-55.9	-50.2	178.2	178.6	59.4	0	0	0	111.1	V50 I51 L54 A65 M66 S71 Y72 M280 F285	V50-L69 HydrophobicContact CG1-CD1 4.05Å; V50-L69 HydrophobicContact CG1-CD2 4.23Å; I51-L69 HydrophobicContact CG1-CD2 3.87Å; L54-L69 HydrophobicContact CD1-CB 3.81Å; L54-L69 HydrophobicContact CD1-CD1 4.13Å; L54-L69 HydrophobicContact CD1-CG 4.43Å; A65-L69 WeakPolarHBondContact O-CB 3.46Å; A65-L69 PolarHBondContact O-N 3.28Å; M66-L69 PolarHBondContact O-N 2.91Å; L69-S71 VanDerWaalsContact C-N 3.29Å; L69-S71 PolarHBondContact O-N 3.09Å; L69-Y72 PolarHBondContact O-N 3.47Å; L69-M280 HydrophobicContact CD1-SD 3.77Å; L69-F285 HydrophobicContact CD1-CZ 4.27Å
70	C	90.4	Very high	90	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.1	-34.8	178.6	-62	0	0	0	0	112.5	M66 E67 R68 Y72 L73 K80 C83 Y84 V87	M66-C70 PolarHBondContact O-N 2.74Å; M66-C70 PolarHBondContact O-SG 3.42Å; M66-C70 VanDerWaalsContact O-SG 3.39Å; E67-C70 PolarHBondContact O-N 3.04Å; R68-C70 PolarHBondContact O-N 3.18Å; C70-Y72 PolarHBondContact O-N 3.24Å; C70-L73 PolarHBondContact O-N 3.33Å; C70-K80 WeakPolarHBondContact O-CD 3.1Å; C70-K80 WeakPolarHBondContact O-CG 3.33Å; C70-C83 WeakPolarHBondContact CA-SG 3.34Å; C70-C83 HydrophobicContact CB-CB 3.74Å; C70-C83 WeakPolarHBondContact CB-SG 3.34Å; C70-C83 WeakPolarHBondContact SG-CB 3.45Å; C70-C83 CovalentContact SG-SG 2.04Å; C70-C83 PolarHBondContact SG-SG 2.92Å; C70-Y84 HydrophobicContact CB-CD1 4.03Å; C70-Y84 HydrophobicContact CB-CD2 3.89Å; C70-Y84 HydrophobicContact CB-CE1 3.8Å; C70-Y84 HydrophobicContact CB-CE2 3.64Å; C70-Y84 HydrophobicContact CB-CG 4.08Å; C70-V87 VanDerWaalsContact SG-CG2 3.56Å
71	S	97.6	Very high	88.9	Confident	39 Å²	39	54.5 Å²	54.5	27%	0.273	27%	0.274	S	S	.	.	H	α-helix	trans	-64.7	-27.1	177.9	81.9	0	0	0	0	113.6	E67 R68 L69	E67-S71 WeakPolarHBondContact O-CB 3.35Å; E67-S71 PolarHBondContact O-N 2.9Å; R68-S71 WeakPolarHBondContact O-CB 3.48Å; R68-S71 PolarHBondContact O-N 3.04Å; R68-S71 VanDerWaalsContact O-N 3.13Å; R68-S71 PolarHBondContact O-OG 3.17Å; L69-S71 VanDerWaalsContact C-N 3.29Å; L69-S71 PolarHBondContact O-N 3.09Å
72	Y	97.5	Very high	87.7	Confident	41 Å²	41	52.2 Å²	52.2	16%	0.161	26%	0.257	C	S	.	.	H	α-helix	trans	-79.8	-20.9	178.4	-65.1	-20	0	0	0	113.5	R68 L69 C70 M280 L282	R68-Y72 WeakPolarHBondContact CD-OH 3.08Å; R68-Y72 HydrophobicContact CG-CD2 4.33Å; R68-Y72 HydrophobicContact CG-CE1 4.01Å; R68-Y72 HydrophobicContact CG-CE2 3.61Å; R68-Y72 VanDerWaalsContact CG-CZ 3.42Å; R68-Y72 WeakPolarHBondContact CG-OH 3.36Å; R68-Y72 PolarHBondContact O-N 3.01Å; L69-Y72 PolarHBondContact O-N 3.47Å; C70-Y72 PolarHBondContact O-N 3.24Å; Y72-M280 HydrophobicContact CD2-CG 3.88Å; Y72-M280 HydrophobicContact CD2-SD 4.31Å; Y72-M280 HydrophobicContact CE2-CG 4.12Å; Y72-M280 WeakPolarHBondContact CE2-O 3.16Å; Y72-L282 HydrophobicContact CD1-CB 4.16Å
73	L	85.6	Confident	86.9	Confident	26 Å²	26	51.9 Å²	51.9	14%	0.136	26%	0.256	C	S	.	.	S	Bend	trans	-74.5	146.9	-177.4	-67.4	175.2	0	0	0	112	C70 L79 K80 C83 F285 L288	C70-L73 PolarHBondContact O-N 3.33Å; L73-L79 HydrophobicContact CB-CB 4.38Å; L73-K80 HydrophobicContact CB-CB 4.2Å; L73-K80 WeakPolarHBondContact O-CD 3.29Å; L73-C83 HydrophobicContact CD1-CB 3.52Å; L73-F285 HydrophobicContact CD2-CB 4.35Å; L73-F285 HydrophobicContact CD2-CD1 3.78Å; L73-F285 HydrophobicContact CD2-CD2 4.26Å; L73-F285 HydrophobicContact CD2-CE1 4.05Å; L73-F285 HydrophobicContact CD2-CG 3.87Å; L73-F285 HydrophobicContact CD2-CZ 4.41Å; L73-L288 HydrophobicContact CD2-CD2 3.86Å
74	P	84.8	Confident	86.2	Confident	24 Å²	24	48.8 Å²	48.8	16%	0.156	24%	0.239	C	C	.	.			trans	-66.4	153.7	175.3	-21.8	33.7	0	0	0	113.3	K76 L79 K80 F285 P289	P74-K76 VanDerWaalsContact C-N 3.31Å; P74-K76 HydrophobicContact CB-CB 4.41Å; P74-L79 HydrophobicContact CB-CD1 4.36Å; P74-L79 HydrophobicContact CG-CD1 4.27Å; P74-L79 WeakPolarHBondContact O-CB 3.41Å; P74-K80 WeakPolarHBondContact O-CB 3.42Å; P74-K80 PolarHBondContact O-N 3.29Å; P74-F285 HydrophobicContact CG-CB 4.35Å; P74-F285 WeakPolarHBondContact CG-O 3.3Å; P74-P289 HydrophobicContact CB-CG 3.93Å; P74-P289 HydrophobicContact CG-CG 3.85Å
75	E	82.4	Confident	85.2	Confident	113 Å²	113	50.1 Å²	50.1	53%	0.528	24%	0.238	S	C	.	.	S	Bend	trans	-73.9	-26	167.8	-62	-66.1	172.2	0	0	112	F78 K80	E75-F78 PolarHBondContact O-N 3.46Å; E75-K80 VanDerWaalsContact OE1-CD 3.28Å; E75-K80 WeakPolarHBondContact OE1-CD 3.1Å; E75-K80 WeakPolarHBondContact OE1-CE 3.36Å; E75-K80 IonicContact OE1-NZ 2.7Å; E75-K80 PolarHBondContact OE1-NZ 3.04Å
76	K	76.1	Confident	84.1	Confident	159 Å²	159	54 Å²	54	69%	0.691	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-56	142.1	176.5	-69.6	-178.1	-178.6	176.8	0	109.9	P74 F78 L79 P289	P74-K76 VanDerWaalsContact C-N 3.31Å; P74-K76 HydrophobicContact CB-CB 4.41Å; K76-F78 PolarHBondContact O-N 2.93Å; K76-F78 VanDerWaalsContact O-N 3.14Å; K76-L79 WeakPolarHBondContact O-CD1 3.22Å; K76-L79 WeakPolarHBondContact O-CG 3.14Å; K76-L79 PolarHBondContact O-N 3.36Å; K76-P289 HydrophobicContact CB-CB 4.07Å; K76-P289 HydrophobicContact CB-CG 3.92Å; K76-P289 HydrophobicContact CD-CB 4.46Å; K76-P289 HydrophobicContact CD-CG 4.39Å
77	L	68.6	Low	83.4	Confident	58 Å²	58	55.7 Å²	55.7	30%	0.304	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	57.3	18.6	-175.7	-52.8	178.3	0	0	0	114.6	F14 L79 P289 L292 T293	F14-L77 VanDerWaalsContact CD2-O 3.25Å; F14-L77 WeakPolarHBondContact CD2-O 3.29Å; F14-L77 HydrophobicContact CE2-CB 4.5Å; L77-L79 HydrophobicContact CB-CD1 4.44Å; L77-L79 HydrophobicContact CB-CG 4.29Å; L77-L79 PolarHBondContact O-N 3.07Å; L77-P289 HydrophobicContact CD1-CB 3.95Å; L77-P289 HydrophobicContact CG-CB 4.28Å; L77-L292 HydrophobicContact CD1-CB 4.36Å; L77-L292 HydrophobicContact CD1-CD1 4.46Å; L77-T293 HydrophobicContact CD1-CG2 4.06Å; L77-T293 HydrophobicContact CD2-CG2 4.47Å
78	F	75.6	Confident	82.6	Confident	94 Å²	94	58.8 Å²	58.8	41%	0.412	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	59.6	23.3	-178.1	-49.3	-81.2	0	0	0	114.1	A10 E75 K76 K80 T81 T82	A10-F78 HydrophobicContact CB-CD1 4.31Å; A10-F78 HydrophobicContact CB-CE1 3.99Å; A10-F78 HydrophobicContact CB-CE2 4.37Å; A10-F78 HydrophobicContact CB-CZ 4.02Å; E75-F78 PolarHBondContact O-N 3.46Å; K76-F78 PolarHBondContact O-N 2.93Å; K76-F78 VanDerWaalsContact O-N 3.14Å; F78-K80 PolarHBondContact O-N 2.97Å; F78-T81 PolarHBondContact O-N 3.49Å; F78-T82 VanDerWaalsContact O-CB 3.3Å; F78-T82 WeakPolarHBondContact O-CB 3.3Å; F78-T82 PolarHBondContact O-N 3.31Å; F78-T82 PolarHBondContact O-OG1 3.32Å
79	L	73.9	Confident	81.5	Confident	10 Å²	10	58.8 Å²	58.8	5%	0.052	29%	0.286	C	S	.	.	H	α-helix	trans	-57.7	-52	-176.9	-75.9	160.9	0	0	0	111.4	F14 L73 P74 K76 L77 T82 C83 L288 P289 L292	F14-L79 HydrophobicContact CE1-CD2 4.28Å; F14-L79 HydrophobicContact CE2-CD2 3.42Å; F14-L79 VanDerWaalsContact CE2-CD2 3.42Å; F14-L79 HydrophobicContact CE2-CG 3.95Å; F14-L79 HydrophobicContact CZ-CD2 3.17Å; F14-L79 HydrophobicContact CZ-CG 4.12Å; L73-L79 HydrophobicContact CB-CB 4.38Å; P74-L79 HydrophobicContact CB-CD1 4.36Å; P74-L79 HydrophobicContact CG-CD1 4.27Å; P74-L79 WeakPolarHBondContact O-CB 3.41Å; K76-L79 WeakPolarHBondContact O-CD1 3.22Å; K76-L79 WeakPolarHBondContact O-CG 3.14Å; K76-L79 PolarHBondContact O-N 3.36Å; L77-L79 HydrophobicContact CB-CD1 4.44Å; L77-L79 HydrophobicContact CB-CG 4.29Å; L77-L79 PolarHBondContact O-N 3.07Å; L79-T82 PolarHBondContact O-N 3.2Å; L79-C83 PolarHBondContact O-N 3.03Å; L79-L288 HydrophobicContact CD1-CD2 3.9Å; L79-L288 HydrophobicContact CD1-CG 3.96Å; L79-L288 HydrophobicContact CD2-CD2 3.87Å; L79-L288 HydrophobicContact CD2-CG 4.35Å; L79-L288 HydrophobicContact CG-CD2 4.49Å; L79-P289 HydrophobicContact CD1-CG 3.9Å; L79-L292 HydrophobicContact CD1-CD1 4.44Å; L79-L292 HydrophobicContact CD2-CD1 3.89Å
80	K	82.6	Confident	80.9	Confident	48 Å²	48	59.3 Å²	59.3	21%	0.209	29%	0.288	C	S	.	.	H	α-helix	trans	-62.3	-49.8	177.6	-179.7	154.2	169.3	-169.1	0	113.1	C70 L73 P74 E75 F78 T82 C83 Y84	C70-K80 WeakPolarHBondContact O-CD 3.1Å; C70-K80 WeakPolarHBondContact O-CG 3.33Å; L73-K80 HydrophobicContact CB-CB 4.2Å; L73-K80 WeakPolarHBondContact O-CD 3.29Å; P74-K80 WeakPolarHBondContact O-CB 3.42Å; P74-K80 PolarHBondContact O-N 3.29Å; E75-K80 VanDerWaalsContact OE1-CD 3.28Å; E75-K80 WeakPolarHBondContact OE1-CD 3.1Å; E75-K80 WeakPolarHBondContact OE1-CE 3.36Å; E75-K80 IonicContact OE1-NZ 2.7Å; E75-K80 PolarHBondContact OE1-NZ 3.04Å; F78-K80 PolarHBondContact O-N 2.97Å; K80-T82 VanDerWaalsContact C-N 3.27Å; K80-T82 PolarHBondContact O-N 3.34Å; K80-C83 WeakPolarHBondContact O-CB 3.28Å; K80-C83 PolarHBondContact O-N 3.28Å; K80-C83 VanDerWaalsContact O-N 3.16Å; K80-Y84 HydrophobicContact CD-CE2 4.24Å; K80-Y84 HydrophobicContact CG-CD2 3.9Å; K80-Y84 HydrophobicContact CG-CE2 3.63Å; K80-Y84 VanDerWaalsContact O-CD2 3.26Å; K80-Y84 WeakPolarHBondContact O-CD2 3.36Å; K80-Y84 PolarHBondContact O-N 3.49Å; K80-Y84 VanDerWaalsContact O-N 3.1Å
81	T	75.5	Confident	80.7	Confident	78 Å²	78	59.4 Å²	59.4	48%	0.479	29%	0.288	S	S	.	.	H	α-helix	trans	-58.3	-41	178.2	-47.5	0	0	0	0	111.8	F78 Y84 Y85	F78-T81 PolarHBondContact O-N 3.49Å; T81-Y84 PolarHBondContact O-N 3Å; T81-Y85 PolarHBondContact O-N 2.88Å
82	T	71.5	Confident	80.5	Confident	15 Å²	15	59.9 Å²	59.9	9%	0.092	29%	0.292	C	S	.	.	H	α-helix	trans	-65.4	-41.5	177.8	-57.9	0	0	0	0	111.5	F14 F78 L79 K80 Y84 Y85 L86	F14-T82 HydrophobicContact CD1-CG2 3.73Å; F14-T82 HydrophobicContact CE1-CG2 4.04Å; F78-T82 VanDerWaalsContact O-CB 3.3Å; F78-T82 WeakPolarHBondContact O-CB 3.3Å; F78-T82 PolarHBondContact O-N 3.31Å; F78-T82 PolarHBondContact O-OG1 3.32Å; L79-T82 PolarHBondContact O-N 3.2Å; K80-T82 VanDerWaalsContact C-N 3.27Å; K80-T82 PolarHBondContact O-N 3.34Å; T82-Y84 PolarHBondContact O-N 2.84Å; T82-Y85 WeakPolarHBondContact O-CB 3.37Å; T82-Y85 PolarHBondContact O-N 3.27Å; T82-L86 HydrophobicContact CG2-CD1 4.36Å; T82-L86 HydrophobicContact CG2-CG 4.5Å; T82-L86 WeakPolarHBondContact O-CG 3.36Å; T82-L86 PolarHBondContact O-N 3.42Å
83	C	81.1	Confident	80.2	Confident	17 Å²	17	58.3 Å²	58.3	12%	0.115	29%	0.286	C	S	.	.	H	α-helix	trans	-57.5	-50.3	175.3	-175	0	0	0	0	111.6	C70 L73 L79 K80 Y85 L86 V87	C70-C83 WeakPolarHBondContact CA-SG 3.34Å; C70-C83 HydrophobicContact CB-CB 3.74Å; C70-C83 WeakPolarHBondContact CB-SG 3.34Å; C70-C83 WeakPolarHBondContact SG-CB 3.45Å; C70-C83 CovalentContact SG-SG 2.04Å; C70-C83 PolarHBondContact SG-SG 2.92Å; L73-C83 HydrophobicContact CD1-CB 3.52Å; L79-C83 PolarHBondContact O-N 3.03Å; K80-C83 WeakPolarHBondContact O-CB 3.28Å; K80-C83 PolarHBondContact O-N 3.28Å; K80-C83 VanDerWaalsContact O-N 3.16Å; C83-Y85 VanDerWaalsContact C-N 3.27Å; C83-Y85 PolarHBondContact O-N 2.95Å; C83-L86 WeakPolarHBondContact O-CB 3.48Å; C83-L86 PolarHBondContact O-N 3.38Å; C83-L86 VanDerWaalsContact O-N 3.09Å; C83-V87 WeakPolarHBondContact O-CG2 3.42Å; C83-V87 PolarHBondContact O-N 3.09Å
84	Y	82.7	Confident	80.6	Confident	68 Å²	68	57.8 Å²	57.8	27%	0.267	28%	0.283	S	S	.	.	H	α-helix	trans	-60.9	-36	177.1	-77.8	-69.2	0	0	0	113	E67 C70 K80 T81 T82 V87 Q88	E67-Y84 WeakPolarHBondContact OE1-CE1 3.31Å; E67-Y84 PolarHBondContact OE1-OH 3.44Å; E67-Y84 WeakPolarHBondContact OE2-CE1 3.19Å; C70-Y84 HydrophobicContact CB-CD1 4.03Å; C70-Y84 HydrophobicContact CB-CD2 3.89Å; C70-Y84 HydrophobicContact CB-CE1 3.8Å; C70-Y84 HydrophobicContact CB-CE2 3.64Å; C70-Y84 HydrophobicContact CB-CG 4.08Å; K80-Y84 HydrophobicContact CD-CE2 4.24Å; K80-Y84 HydrophobicContact CG-CD2 3.9Å; K80-Y84 HydrophobicContact CG-CE2 3.63Å; K80-Y84 VanDerWaalsContact O-CD2 3.26Å; K80-Y84 WeakPolarHBondContact O-CD2 3.36Å; K80-Y84 PolarHBondContact O-N 3.49Å; K80-Y84 VanDerWaalsContact O-N 3.1Å; T81-Y84 PolarHBondContact O-N 3Å; T82-Y84 PolarHBondContact O-N 2.84Å; Y84-V87 PolarHBondContact O-N 3.16Å; Y84-Q88 WeakPolarHBondContact O-CB 3.4Å; Y84-Q88 PolarHBondContact O-N 2.64Å
85	Y	76.1	Confident	81.1	Confident	93 Å²	93	59.5 Å²	59.5	37%	0.365	29%	0.291	S	S	.	.	H	α-helix	trans	-64.2	-41.7	174.2	-177	-104.6	0	0	0	112.1	T11 T81 T82 C83 Q88 M89	T11-Y85 HydrophobicContact CG2-CD1 3.79Å; T11-Y85 HydrophobicContact CG2-CE1 4.13Å; T11-Y85 HydrophobicContact CG2-CG 4.17Å; T81-Y85 PolarHBondContact O-N 2.88Å; T82-Y85 WeakPolarHBondContact O-CB 3.37Å; T82-Y85 PolarHBondContact O-N 3.27Å; C83-Y85 VanDerWaalsContact C-N 3.27Å; C83-Y85 PolarHBondContact O-N 2.95Å; Y85-Q88 PolarHBondContact O-N 3.19Å; Y85-M89 HydrophobicContact CD1-CE 3.53Å; Y85-M89 HydrophobicContact CD1-SD 4.2Å; Y85-M89 HydrophobicContact CE1-CE 3.14Å; Y85-M89 HydrophobicContact CE1-CG 4.21Å; Y85-M89 HydrophobicContact CE1-SD 3.4Å; Y85-M89 WeakPolarHBondContact CE1-SD 3.31Å; Y85-M89 HydrophobicContact CE2-SD 4.41Å; Y85-M89 VanDerWaalsContact CZ-SD 3.51Å; Y85-M89 WeakPolarHBondContact O-CG 3.43Å; Y85-M89 PolarHBondContact O-N 3.38Å; Y85-M89 PolarHBondContact OH-SD 3.26Å
86	L	76.1	Confident	81.6	Confident	82 Å²	82	57.9 Å²	57.9	43%	0.429	28%	0.282	S	S	.	.	H	α-helix	trans	-65.4	-40.5	174.4	-68.2	173.3	0	0	0	111.9	T82 C83 Q88 M89 F90	T82-L86 HydrophobicContact CG2-CD1 4.36Å; T82-L86 HydrophobicContact CG2-CG 4.5Å; T82-L86 WeakPolarHBondContact O-CG 3.36Å; T82-L86 PolarHBondContact O-N 3.42Å; C83-L86 WeakPolarHBondContact O-CB 3.48Å; C83-L86 PolarHBondContact O-N 3.38Å; C83-L86 VanDerWaalsContact O-N 3.09Å; L86-Q88 VanDerWaalsContact C-N 3.32Å; L86-Q88 PolarHBondContact O-N 2.91Å; L86-M89 HydrophobicContact CD2-CE 3.9Å; L86-M89 PolarHBondContact O-N 2.93Å; L86-F90 HydrophobicContact CD2-CD2 4.07Å; L86-F90 HydrophobicContact CD2-CE2 3.81Å; L86-F90 PolarHBondContact O-N 2.73Å
87	V	82.2	Confident	82.5	Confident	38 Å²	38	50.3 Å²	50.3	23%	0.23	25%	0.249	C	C	.	.	H	α-helix	trans	-62.1	-40.7	173.9	172.6	0	0	0	0	110.9	M66 C70 C83 Y84 M89 G91	M66-V87 HydrophobicContact CB-CG1 4.16Å; M66-V87 HydrophobicContact CB-CG2 3.85Å; M66-V87 HydrophobicContact CE-CG1 4.21Å; M66-V87 HydrophobicContact CG-CG2 4.28Å; M66-V87 HydrophobicContact SD-CG1 4.13Å; M66-V87 HydrophobicContact SD-CG2 4.14Å; C70-V87 VanDerWaalsContact SG-CG2 3.56Å; C83-V87 WeakPolarHBondContact O-CG2 3.42Å; C83-V87 PolarHBondContact O-N 3.09Å; Y84-V87 PolarHBondContact O-N 3.16Å; V87-M89 VanDerWaalsContact C-N 3.33Å; V87-M89 PolarHBondContact O-N 2.96Å; V87-G91 WeakPolarHBondContact O-CA 3.47Å; V87-G91 PolarHBondContact O-N 3.27Å
88	Q	79.6	Confident	83.7	Confident	160 Å²	160	48.3 Å²	48.3	75%	0.748	24%	0.238	S	C	*	.	H	α-helix	trans	-64.1	-38.3	176	-174.9	-179.9	0.2	0	0	112.1	Y84 Y85 L86	Y84-Q88 WeakPolarHBondContact O-CB 3.4Å; Y84-Q88 PolarHBondContact O-N 2.64Å; Y85-Q88 PolarHBondContact O-N 3.19Å; L86-Q88 VanDerWaalsContact C-N 3.32Å; L86-Q88 PolarHBondContact O-N 2.91Å
89	M	76.4	Confident	84.5	Confident	54 Å²	54	46.9 Å²	46.9	27%	0.266	25%	0.25	S	S	.	.	H	α-helix	trans	-77.8	-49.4	-178.9	-72.8	-163.6	-58.9	0	0	113.1	Y85 L86 V87 Y152	Y85-M89 HydrophobicContact CD1-CE 3.53Å; Y85-M89 HydrophobicContact CD1-SD 4.2Å; Y85-M89 HydrophobicContact CE1-CE 3.14Å; Y85-M89 HydrophobicContact CE1-CG 4.21Å; Y85-M89 HydrophobicContact CE1-SD 3.4Å; Y85-M89 WeakPolarHBondContact CE1-SD 3.31Å; Y85-M89 HydrophobicContact CE2-SD 4.41Å; Y85-M89 VanDerWaalsContact CZ-SD 3.51Å; Y85-M89 WeakPolarHBondContact O-CG 3.43Å; Y85-M89 PolarHBondContact O-N 3.38Å; Y85-M89 PolarHBondContact OH-SD 3.26Å; L86-M89 HydrophobicContact CD2-CE 3.9Å; L86-M89 PolarHBondContact O-N 2.93Å; V87-M89 VanDerWaalsContact C-N 3.33Å; V87-M89 PolarHBondContact O-N 2.96Å; M89-Y152 PolarHBondContact O-OH 2.92Å
90	F	83	Confident	85.3	Confident	29 Å²	29	51 Å²	51	13%	0.127	27%	0.269	C	S	.	.	H	α-helix	trans	-109.8	-14.2	-168.7	-58	-70.3	0	0	0	113.5	L86 S92 D93 I94 F113 Y152	L86-F90 HydrophobicContact CD2-CD2 4.07Å; L86-F90 HydrophobicContact CD2-CE2 3.81Å; L86-F90 PolarHBondContact O-N 2.73Å; F90-S92 PolarHBondContact O-N 3.06Å; F90-D93 PolarHBondContact O-N 3.1Å; F90-I94 HydrophobicContact CB-CD1 4.02Å; F90-I94 HydrophobicContact CB-CG1 4.47Å; F90-I94 WeakPolarHBondContact O-CG1 3.47Å; F90-I94 PolarHBondContact O-N 3.16Å; F90-F113 HydrophobicContact CD1-CE2 4.19Å; F90-F113 HydrophobicContact CD1-CZ 4.46Å; F90-F113 HydrophobicContact CD2-CZ 4.38Å; F90-F113 AromaticContact CE1-CE2 3.93Å; F90-F113 HydrophobicContact CE1-CE2 3.93Å; F90-F113 AromaticContact CE1-CZ 3.92Å; F90-F113 HydrophobicContact CE1-CZ 3.92Å; F90-F113 HydrophobicContact CE2-CE2 4.44Å; F90-F113 AromaticContact CE2-CZ 3.82Å; F90-F113 HydrophobicContact CE2-CZ 3.82Å; F90-F113 HydrophobicContact CZ-CE2 4.08Å; F90-F113 AromaticContact CZ-CZ 3.58Å; F90-F113 HydrophobicContact CZ-CZ 3.58Å; F90-Y152 HydrophobicContact CD1-CD1 4.46Å; F90-Y152 AromaticContact CD1-CE1 3.56Å; F90-Y152 HydrophobicContact CD1-CE1 3.56Å; F90-Y152 AromaticContact CD1-CZ 3.65Å; F90-Y152 WeakPolarHBondContact CD1-OH 3.38Å; F90-Y152 AromaticContact CE1-CD1 3.74Å; F90-Y152 HydrophobicContact CE1-CD1 3.74Å; F90-Y152 AromaticContact CE1-CE1 3.27Å; F90-Y152 HydrophobicContact CE1-CE1 3.27Å; F90-Y152 HydrophobicContact CE1-CE2 4.41Å; F90-Y152 HydrophobicContact CE1-CG 4.48Å; F90-Y152 AromaticContact CE1-CZ 3.67Å; F90-Y152 HydrophobicContact CZ-CD1 4.26Å; F90-Y152 HydrophobicContact CZ-CE1 4.07Å
91	G	86.9	Confident	85.7	Confident	1 Å²	1	53 Å²	53	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-61.1	-38.6	-169.3	0	0	0	0	0	113.9	V87 D93 I94 I95	V87-G91 WeakPolarHBondContact O-CA 3.47Å; V87-G91 PolarHBondContact O-N 3.27Å; G91-D93 VanDerWaalsContact C-N 3.32Å; G91-D93 PolarHBondContact O-N 3.26Å; G91-I94 PolarHBondContact O-N 3.17Å; G91-I95 WeakPolarHBondContact O-CB 3.46Å; G91-I95 WeakPolarHBondContact O-CD1 3.37Å; G91-I95 WeakPolarHBondContact O-CG1 3.45Å; G91-I95 PolarHBondContact O-N 3.47Å
92	S	92.4	Very high	86.4	Confident	50 Å²	50	49.5 Å²	49.5	35%	0.35	27%	0.273	S	S	.	.	H	α-helix	trans	-60.1	-42.6	175	165.8	0	0	0	0	112	F90 K96	F90-S92 PolarHBondContact O-N 3.06Å; S92-K96 WeakPolarHBondContact O-CG 3.15Å; S92-K96 PolarHBondContact O-N 3.07Å
93	D	91.1	Very high	87.5	Confident	7 Å²	7	50.2 Å²	50.2	4%	0.037	28%	0.276	C	S	.	.	H	α-helix	trans	-73	-40.6	-177.6	-68.7	-17.8	0	0	0	110.3	F90 G91 I95 K96 L97 L111 L144 S147 Y152	F90-D93 PolarHBondContact O-N 3.1Å; G91-D93 VanDerWaalsContact C-N 3.32Å; G91-D93 PolarHBondContact O-N 3.26Å; D93-I95 PolarHBondContact O-N 3.37Å; D93-K96 PolarHBondContact O-N 3.49Å; D93-L97 VanDerWaalsContact O-CG 3.28Å; D93-L97 WeakPolarHBondContact O-CG 3.47Å; D93-L97 PolarHBondContact O-N 2.85Å; D93-L111 HydrophobicContact CB-CD2 3.88Å; D93-L144 HydrophobicContact CB-CD2 3.58Å; D93-S147 PolarHBondContact OD1-OG 2.87Å; D93-S147 VanDerWaalsContact OD1-OG 3.11Å; D93-Y152 PolarHBondContact OD2-OH 2.89Å
94	I	93.2	Very high	88.1	Confident	15 Å²	15	49.4 Å²	49.4	8%	0.077	27%	0.271	C	S	.	.	H	α-helix	trans	-58.9	-46.3	172.9	-66.1	169.2	0	0	0	111.1	V48 V62 F90 G91 K96 L97 L98 V107 L111	V48-I94 HydrophobicContact CG2-CD1 4.47Å; V62-I94 HydrophobicContact CG1-CG2 4.09Å; F90-I94 HydrophobicContact CB-CD1 4.02Å; F90-I94 HydrophobicContact CB-CG1 4.47Å; F90-I94 WeakPolarHBondContact O-CG1 3.47Å; F90-I94 PolarHBondContact O-N 3.16Å; G91-I94 PolarHBondContact O-N 3.17Å; I94-K96 VanDerWaalsContact C-N 3.32Å; I94-K96 PolarHBondContact O-N 3.41Å; I94-L97 PolarHBondContact O-N 2.9Å; I94-L98 HydrophobicContact CG2-CD1 3.76Å; I94-L98 HydrophobicContact CG2-CG 4.16Å; I94-L98 WeakPolarHBondContact O-CB 3.46Å; I94-L98 WeakPolarHBondContact O-CG 3.47Å; I94-L98 PolarHBondContact O-N 3.25Å; I94-V107 HydrophobicContact CG1-CG1 4.4Å; I94-L111 HydrophobicContact CG1-CD1 4.01Å
95	I	95.4	Very high	88.6	Confident	61 Å²	61	46.1 Å²	46.1	31%	0.313	26%	0.258	S	S	.	.	H	α-helix	trans	-57.5	-45.3	177.4	-71.4	161.4	0	0	0	111.2	V62 Q63 M66 G91 D93 G99	V62-I95 HydrophobicContact CB-CG1 4.05Å; V62-I95 HydrophobicContact CG1-CG1 3.78Å; Q63-I95 HydrophobicContact CB-CD1 3.87Å; Q63-I95 HydrophobicContact CG-CD1 4.35Å; M66-I95 HydrophobicContact CE-CD1 3.63Å; M66-I95 HydrophobicContact CE-CG1 3.66Å; G91-I95 WeakPolarHBondContact O-CB 3.46Å; G91-I95 WeakPolarHBondContact O-CD1 3.37Å; G91-I95 WeakPolarHBondContact O-CG1 3.45Å; G91-I95 PolarHBondContact O-N 3.47Å; D93-I95 PolarHBondContact O-N 3.37Å; I95-G99 PolarHBondContact O-N 2.92Å
96	K	94.3	Very high	89.3	Confident	78 Å²	78	41.7 Å²	41.7	34%	0.339	24%	0.241	S	C	.	.	H	α-helix	trans	-65.7	-42.5	-178.8	-72.1	172.4	-171.8	-177.2	0	112.1	S92 D93 I94 E100 I143 S147	S92-K96 WeakPolarHBondContact O-CG 3.15Å; S92-K96 PolarHBondContact O-N 3.07Å; D93-K96 PolarHBondContact O-N 3.49Å; I94-K96 VanDerWaalsContact C-N 3.32Å; I94-K96 PolarHBondContact O-N 3.41Å; K96-E100 PolarHBondContact O-N 3.32Å; K96-I143 HydrophobicContact CB-CG2 4Å; K96-S147 PolarHBondContact NZ-OG 3.5Å
97	L	94.4	Very high	90.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-73.4	-46	-176.7	-63.6	175	0	0	0	111.7	D93 I94 G99 E100 M102 V107 A110 L111 A140 I143 L144	D93-L97 VanDerWaalsContact O-CG 3.28Å; D93-L97 WeakPolarHBondContact O-CG 3.47Å; D93-L97 PolarHBondContact O-N 2.85Å; I94-L97 PolarHBondContact O-N 2.9Å; L97-G99 VanDerWaalsContact C-N 3.29Å; L97-G99 PolarHBondContact O-N 3.4Å; L97-E100 PolarHBondContact O-N 2.95Å; L97-E100 VanDerWaalsContact O-N 3.1Å; L97-M102 HydrophobicContact CB-SD 4.24Å; L97-M102 HydrophobicContact CD2-SD 3.72Å; L97-M102 WeakPolarHBondContact O-CB 3.37Å; L97-M102 WeakPolarHBondContact O-CG 3.44Å; L97-M102 PolarHBondContact O-N 3.45Å; L97-V107 HydrophobicContact CB-CG2 3.77Å; L97-V107 HydrophobicContact CD1-CB 4.36Å; L97-V107 HydrophobicContact CD1-CG1 4Å; L97-V107 HydrophobicContact CD1-CG2 4.33Å; L97-A110 HydrophobicContact CD1-CB 4.1Å; L97-L111 HydrophobicContact CD1-CG 4.48Å; L97-A140 HydrophobicContact CD2-CB 3.82Å; L97-I143 HydrophobicContact CD2-CB 4.39Å; L97-I143 HydrophobicContact CD2-CG2 4.31Å; L97-L144 HydrophobicContact CD1-CD1 4.24Å; L97-L144 HydrophobicContact CD1-CD2 4.02Å; L97-L144 HydrophobicContact CD1-CG 4.33Å; L97-L144 HydrophobicContact CD2-CD2 4.29Å; L97-L144 HydrophobicContact CD2-CG 4.3Å; L97-L144 HydrophobicContact CG-CD2 4.17Å
98	L	94.1	Very high	90.4	Very high	16 Å²	16	36 Å²	36	8%	0.084	21%	0.21	C	C	.	.	H	α-helix	trans	-65	-33.6	174.8	-67.7	-175.4	0	0	0	111.8	V48 I51 E52 V62 I94 E100 A101 M102 V107	V48-L98 HydrophobicContact CG1-CD1 4.4Å; V48-L98 HydrophobicContact CG1-CD2 4.05Å; I51-L98 HydrophobicContact CG2-CD1 4.35Å; E52-L98 HydrophobicContact CB-CD1 4.26Å; V62-L98 HydrophobicContact CG1-CD1 3.85Å; V62-L98 HydrophobicContact CG2-CB 3.93Å; V62-L98 HydrophobicContact CG2-CD1 3.9Å; I94-L98 HydrophobicContact CG2-CD1 3.76Å; I94-L98 HydrophobicContact CG2-CG 4.16Å; I94-L98 WeakPolarHBondContact O-CB 3.46Å; I94-L98 WeakPolarHBondContact O-CG 3.47Å; I94-L98 PolarHBondContact O-N 3.25Å; L98-E100 PolarHBondContact O-N 3.04Å; L98-E100 VanDerWaalsContact O-N 3.16Å; L98-A101 PolarHBondContact O-N 3.26Å; L98-M102 VanDerWaalsContact CD2-O 3.23Å; L98-M102 WeakPolarHBondContact CD2-O 3.42Å; L98-V107 HydrophobicContact CD2-CG2 3.96Å
99	G	92.1	Very high	90.9	Very high	65 Å²	65	28.9 Å²	28.9	67%	0.67	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.1	173.4	0	0	0	0	0	114.5	I95 L97	I95-G99 PolarHBondContact O-N 2.92Å; L97-G99 VanDerWaalsContact C-N 3.29Å; L97-G99 PolarHBondContact O-N 3.4Å
100	E	91.4	Very high	91.6	Very high	95 Å²	95	26.7 Å²	26.7	44%	0.444	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	18.6	174.1	-69.3	-79.8	160.6	0	0	112.4	K96 L97 L98 M102 K139 I143	K96-E100 PolarHBondContact O-N 3.32Å; L97-E100 PolarHBondContact O-N 2.95Å; L97-E100 VanDerWaalsContact O-N 3.1Å; L98-E100 PolarHBondContact O-N 3.04Å; L98-E100 VanDerWaalsContact O-N 3.16Å; E100-M102 VanDerWaalsContact C-N 3.26Å; E100-M102 HydrophobicContact CB-CE 4.16Å; E100-M102 HydrophobicContact CB-CG 4.3Å; E100-M102 PolarHBondContact O-N 3.06Å; E100-K139 VanDerWaalsContact OE2-CE 3.27Å; E100-K139 WeakPolarHBondContact OE2-CE 3.31Å; E100-K139 IonicContact OE2-NZ 3.86Å; E100-K139 PolarHBondContact OE2-NZ 3.3Å; E100-I143 HydrophobicContact CB-CD1 4.37Å; E100-I143 HydrophobicContact CG-CD1 3.82Å
101	A	89.4	Confident	91.6	Very high	92 Å²	92	26.3 Å²	26.3	76%	0.76	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	34.2	-179.8	0	0	0	0	0	113.9	L98	L98-A101 PolarHBondContact O-N 3.26Å
102	M	92	Very high	91.5	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.02	19%	0.189	C	C	.	.			trans	-86.6	129	175.1	-61.3	-177.5	175.3	0	0	110.3	L97 L98 E100 V106 V107 T136 K139 A140 I143	L97-M102 HydrophobicContact CB-SD 4.24Å; L97-M102 HydrophobicContact CD2-SD 3.72Å; L97-M102 WeakPolarHBondContact O-CB 3.37Å; L97-M102 WeakPolarHBondContact O-CG 3.44Å; L97-M102 PolarHBondContact O-N 3.45Å; L98-M102 VanDerWaalsContact CD2-O 3.23Å; L98-M102 WeakPolarHBondContact CD2-O 3.42Å; E100-M102 VanDerWaalsContact C-N 3.26Å; E100-M102 HydrophobicContact CB-CE 4.16Å; E100-M102 HydrophobicContact CB-CG 4.3Å; E100-M102 PolarHBondContact O-N 3.06Å; M102-V106 HydrophobicContact CB-CB 4.18Å; M102-V106 HydrophobicContact CB-CG1 4.07Å; M102-V106 HydrophobicContact CG-CG1 4.19Å; M102-V106 HydrophobicContact SD-CG1 3.85Å; M102-V107 HydrophobicContact CB-CG2 4.31Å; M102-T136 HydrophobicContact CE-CG2 4.49Å; M102-T136 HydrophobicContact CG-CG2 4.42Å; M102-K139 HydrophobicContact CE-CB 4.26Å; M102-K139 HydrophobicContact CE-CD 4.03Å; M102-K139 HydrophobicContact CE-CG 4.04Å; M102-A140 HydrophobicContact CE-CB 3.88Å; M102-A140 HydrophobicContact SD-CB 3.5Å; M102-A140 VanDerWaalsContact SD-CB 3.5Å; M102-I143 HydrophobicContact CE-CD1 3.74Å
103	N	92.9	Very high	91	Very high	29 Å²	29	32 Å²	32	16%	0.155	19%	0.185	C	C	.	.			trans	-69.7	166.1	176.4	69.5	25.7	0	0	0	112.6	D105 V106 V107 Y126	N103-D105 PolarHBondContact O-N 3.18Å; N103-D105 VanDerWaalsContact O-N 3.17Å; N103-D105 WeakPolarHBondContact OD1-CB 3.44Å; N103-D105 PolarHBondContact OD1-N 2.99Å; N103-V106 PolarHBondContact O-N 3.32Å; N103-V106 VanDerWaalsContact O-N 3.07Å; N103-V106 WeakPolarHBondContact OD1-CG2 3.18Å; N103-V106 PolarHBondContact OD1-N 3.13Å; N103-V107 WeakPolarHBondContact O-CG2 3.4Å; N103-V107 PolarHBondContact O-N 3.45Å; N103-V107 VanDerWaalsContact O-N 3.09Å; N103-Y126 HydrophobicContact CB-CG 4.47Å
104	A	94.3	Very high	90.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-55.1	-34.4	-178	0	0	0	0	0	114.3	V45 V48 S49 V107 C108 Y126	V45-A104 HydrophobicContact CG1-CB 4.08Å; V48-A104 HydrophobicContact CB-CB 3.89Å; V48-A104 HydrophobicContact CG1-CB 3.75Å; S49-A104 WeakPolarHBondContact OG-CB 3.31Å; A104-V107 PolarHBondContact O-N 3.32Å; A104-C108 WeakPolarHBondContact O-CB 3.38Å; A104-C108 PolarHBondContact O-N 2.99Å; A104-C108 PolarHBondContact O-SG 3.17Å; A104-Y126 HydrophobicContact CB-CD2 4.5Å; A104-Y126 HydrophobicContact CB-CE2 3.92Å
105	D	92.6	Very high	90	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.6	-51.6	176.2	-60	-42.1	0	0	0	110.5	N103 V107 C108 H109 L125 Y126 W133	N103-D105 PolarHBondContact O-N 3.18Å; N103-D105 VanDerWaalsContact O-N 3.17Å; N103-D105 WeakPolarHBondContact OD1-CB 3.44Å; N103-D105 PolarHBondContact OD1-N 2.99Å; D105-V107 VanDerWaalsContact C-N 3.28Å; D105-V107 PolarHBondContact O-N 2.79Å; D105-C108 PolarHBondContact O-N 3.43Å; D105-H109 PolarHBondContact O-CD2 2.78Å; D105-H109 PolarHBondContact O-N 3.43Å; D105-L125 VanDerWaalsContact CG-N 3.28Å; D105-L125 WeakPolarHBondContact OD1-CB 3.31Å; D105-L125 PolarHBondContact OD1-N 3.01Å; D105-L125 PolarHBondContact OD2-N 3.02Å; D105-Y126 WeakPolarHBondContact OD2-CB 3.45Å; D105-Y126 PolarHBondContact OD2-N 3.2Å; D105-W133 HydrophobicContact CB-CH2 3.58Å; D105-W133 HydrophobicContact CB-CZ3 3.8Å
106	V	91.9	Very high	88.7	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.3	-43.5	-179.3	175.8	0	0	0	0	110	M102 N103 C108 H109 A110 W133 T136 A140	M102-V106 HydrophobicContact CB-CB 4.18Å; M102-V106 HydrophobicContact CB-CG1 4.07Å; M102-V106 HydrophobicContact CG-CG1 4.19Å; M102-V106 HydrophobicContact SD-CG1 3.85Å; N103-V106 PolarHBondContact O-N 3.32Å; N103-V106 VanDerWaalsContact O-N 3.07Å; N103-V106 WeakPolarHBondContact OD1-CG2 3.18Å; N103-V106 PolarHBondContact OD1-N 3.13Å; V106-C108 PolarHBondContact O-N 2.88Å; V106-H109 PolarHBondContact O-N 3.42Å; V106-A110 VanDerWaalsContact O-CB 3.3Å; V106-A110 WeakPolarHBondContact O-CB 3.43Å; V106-A110 PolarHBondContact O-N 3.25Å; V106-W133 HydrophobicContact CB-CH2 4.18Å; V106-W133 HydrophobicContact CB-CZ3 4.29Å; V106-W133 HydrophobicContact CG2-CE3 3.77Å; V106-W133 HydrophobicContact CG2-CH2 3.58Å; V106-W133 HydrophobicContact CG2-CZ2 4.34Å; V106-W133 HydrophobicContact CG2-CZ3 3.25Å; V106-T136 HydrophobicContact CG1-CG2 4.15Å; V106-T136 HydrophobicContact CG2-CG2 4.13Å; V106-A140 HydrophobicContact CG1-CB 3.9Å
107	V	92.4	Very high	87.1	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-57.3	-49.3	177.4	176	0	0	0	0	110.9	V48 I94 L97 L98 M102 N103 A104 D105 H109 A110 L111	V48-V107 HydrophobicContact CG1-CB 4.11Å; V48-V107 HydrophobicContact CG1-CG1 4.05Å; V48-V107 HydrophobicContact CG1-CG2 4.28Å; V48-V107 HydrophobicContact CG2-CG1 4.04Å; I94-V107 HydrophobicContact CG1-CG1 4.4Å; L97-V107 HydrophobicContact CB-CG2 3.77Å; L97-V107 HydrophobicContact CD1-CB 4.36Å; L97-V107 HydrophobicContact CD1-CG1 4Å; L97-V107 HydrophobicContact CD1-CG2 4.33Å; L98-V107 HydrophobicContact CD2-CG2 3.96Å; M102-V107 HydrophobicContact CB-CG2 4.31Å; N103-V107 WeakPolarHBondContact O-CG2 3.4Å; N103-V107 PolarHBondContact O-N 3.45Å; N103-V107 VanDerWaalsContact O-N 3.09Å; A104-V107 PolarHBondContact O-N 3.32Å; D105-V107 VanDerWaalsContact C-N 3.28Å; D105-V107 PolarHBondContact O-N 2.79Å; V107-H109 PolarHBondContact O-N 2.95Å; V107-A110 PolarHBondContact O-N 3.31Å; V107-L111 HydrophobicContact CG1-CD1 3.76Å; V107-L111 HydrophobicContact CG1-CG 4.35Å; V107-L111 WeakPolarHBondContact O-CB 3.17Å; V107-L111 WeakPolarHBondContact O-CG 3.44Å; V107-L111 PolarHBondContact O-N 2.99Å
108	C	89.7	Confident	85.1	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-73.2	-29	-175.1	-69.2	0	0	0	0	114.2	C44 V45 A104 D105 V106 E112 F113 C114	C44-C108 HydrophobicContact CB-CB 3.8Å; C44-C108 WeakPolarHBondContact CB-SG 3.46Å; C44-C108 PolarHBondContact O-SG 2.96Å; C44-C108 WeakPolarHBondContact SG-CA 3.28Å; C44-C108 WeakPolarHBondContact SG-CB 3.48Å; C44-C108 CovalentContact SG-SG 2.04Å; C44-C108 PolarHBondContact SG-SG 3.34Å; V45-C108 HydrophobicContact CG2-CB 3.93Å; V45-C108 PolarHBondContact N-SG 3.45Å; A104-C108 WeakPolarHBondContact O-CB 3.38Å; A104-C108 PolarHBondContact O-N 2.99Å; A104-C108 PolarHBondContact O-SG 3.17Å; D105-C108 PolarHBondContact O-N 3.43Å; V106-C108 PolarHBondContact O-N 2.88Å; C108-E112 PolarHBondContact O-N 2.79Å; C108-F113 PolarHBondContact O-N 2.94Å; C108-F113 VanDerWaalsContact O-N 3.08Å; C108-C114 VanDerWaalsContact CB-SG 3.53Å; C108-C114 PolarHBondContact O-N 3.27Å
109	H	89.7	Confident	83.1	Confident	11 Å²	11	50 Å²	50	5%	0.051	30%	0.299	C	S	.	.	H	α-helix	trans	-70.8	-38.7	168	-82.1	-87.9	0	0	0	111.8	D105 V106 V107 L111 E112 C114 C123 W133 L137	D105-H109 PolarHBondContact O-CD2 2.78Å; D105-H109 PolarHBondContact O-N 3.43Å; V106-H109 PolarHBondContact O-N 3.42Å; V107-H109 PolarHBondContact O-N 2.95Å; H109-L111 VanDerWaalsContact C-N 3.34Å; H109-E112 PolarHBondContact O-N 3.26Å; H109-C114 HydrophobicContact CB-CB 4.41Å; H109-C114 PolarHBondContact ND1-O 3.33Å; H109-C123 PolarHBondContact NE2-O 3.14Å; H109-W133 HydrophobicContact CB-CZ2 4.18Å; H109-W133 AromaticContact CD2-CH2 3.85Å; H109-W133 AromaticContact CD2-CZ2 3.61Å; H109-W133 AromaticContact CG-CZ2 3.91Å; H109-L137 HydrophobicContact CB-CD1 3.69Å; H109-L137 HydrophobicContact CB-CD2 4.36Å
110	A	89.8	Confident	81.3	Confident	7 Å²	7	48.8 Å²	48.8	6%	0.058	28%	0.276	C	S	.	.	H	α-helix	trans	-68.5	-33.9	177.4	0	0	0	0	0	112.6	L97 V106 V107 E112 L137 A140 L144	L97-A110 HydrophobicContact CD1-CB 4.1Å; V106-A110 VanDerWaalsContact O-CB 3.3Å; V106-A110 WeakPolarHBondContact O-CB 3.43Å; V106-A110 PolarHBondContact O-N 3.25Å; V107-A110 PolarHBondContact O-N 3.31Å; A110-E112 VanDerWaalsContact C-N 3.28Å; A110-L137 HydrophobicContact CB-CD1 4.22Å; A110-A140 HydrophobicContact CB-CB 3.68Å; A110-L144 HydrophobicContact CB-CD1 3.86Å; A110-L144 VanDerWaalsContact O-CD1 3.29Å; A110-L144 WeakPolarHBondContact O-CD1 3.4Å
111	L	84.5	Confident	80	Confident	22 Å²	22	48.4 Å²	48.4	12%	0.115	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	3	175.7	-66.8	177.7	0	0	0	113.9	D93 I94 L97 V107 H109 F113 L144	D93-L111 HydrophobicContact CB-CD2 3.88Å; I94-L111 HydrophobicContact CG1-CD1 4.01Å; L97-L111 HydrophobicContact CD1-CG 4.48Å; V107-L111 HydrophobicContact CG1-CD1 3.76Å; V107-L111 HydrophobicContact CG1-CG 4.35Å; V107-L111 WeakPolarHBondContact O-CB 3.17Å; V107-L111 WeakPolarHBondContact O-CG 3.44Å; V107-L111 PolarHBondContact O-N 2.99Å; H109-L111 VanDerWaalsContact C-N 3.34Å; L111-F113 HydrophobicContact CB-CD2 3.66Å; L111-F113 HydrophobicContact CB-CE2 4.03Å; L111-F113 HydrophobicContact CD1-CE2 4.44Å; L111-F113 PolarHBondContact O-N 2.04Å; L111-L144 HydrophobicContact CD2-CD1 4.14Å
112	E	85.1	Confident	79.4	Confident	108 Å²	108	46.6 Å²	46.6	51%	0.505	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	16.8	176.8	-55	-76.1	162.8	0	0	114.9	C108 H109 A110	C108-E112 PolarHBondContact O-N 2.79Å; H109-E112 PolarHBondContact O-N 3.26Å; A110-E112 VanDerWaalsContact C-N 3.28Å
113	F	81.6	Confident	79.2	Confident	61 Å²	61	46.7 Å²	46.7	27%	0.268	26%	0.261	S	S	.	.	S	Bend	trans	-74.6	-36.4	167.9	-74.5	-81.4	0	0	0	111.2	C44 F90 C108 L111	C44-F113 HydrophobicContact CB-CB 3.58Å; C44-F113 HydrophobicContact CB-CD1 4.33Å; C44-F113 HydrophobicContact CB-CD2 4.22Å; C44-F113 HydrophobicContact CB-CG 3.81Å; F90-F113 HydrophobicContact CD1-CE2 4.19Å; F90-F113 HydrophobicContact CD1-CZ 4.46Å; F90-F113 HydrophobicContact CD2-CZ 4.38Å; F90-F113 AromaticContact CE1-CE2 3.93Å; F90-F113 HydrophobicContact CE1-CE2 3.93Å; F90-F113 AromaticContact CE1-CZ 3.92Å; F90-F113 HydrophobicContact CE1-CZ 3.92Å; F90-F113 HydrophobicContact CE2-CE2 4.44Å; F90-F113 AromaticContact CE2-CZ 3.82Å; F90-F113 HydrophobicContact CE2-CZ 3.82Å; F90-F113 HydrophobicContact CZ-CE2 4.08Å; F90-F113 AromaticContact CZ-CZ 3.58Å; F90-F113 HydrophobicContact CZ-CZ 3.58Å; C108-F113 PolarHBondContact O-N 2.94Å; C108-F113 VanDerWaalsContact O-N 3.08Å; L111-F113 HydrophobicContact CB-CD2 3.66Å; L111-F113 HydrophobicContact CB-CE2 4.03Å; L111-F113 HydrophobicContact CD1-CE2 4.44Å; L111-F113 PolarHBondContact O-N 2.04Å
114	C	83	Confident	79.1	Confident	5 Å²	5	47.4 Å²	47.4	3%	0.034	26%	0.263	C	S	.	.	S	Bend	trans	-97.4	111.9	168.3	-59.6	0	0	0	0	108.4	C41 C108 H109	C41-C114 WeakPolarHBondContact CA-SG 3.48Å; C41-C114 HydrophobicContact CB-CB 3.87Å; C41-C114 WeakPolarHBondContact CB-SG 3.18Å; C41-C114 WeakPolarHBondContact SG-CB 3.48Å; C41-C114 CovalentContact SG-SG 2.04Å; C41-C114 PolarHBondContact SG-SG 3.16Å; C108-C114 VanDerWaalsContact CB-SG 3.53Å; C108-C114 PolarHBondContact O-N 3.27Å; H109-C114 HydrophobicContact CB-CB 4.41Å; H109-C114 PolarHBondContact ND1-O 3.33Å
115	K	79.1	Confident	79	Confident	106 Å²	106	47.6 Å²	47.6	46%	0.461	26%	0.264	S	S	.	.			trans	-100.4	146.8	179.1	-68.7	-179.2	-171.2	154.5	0	111	N37	N37-K115 PolarHBondContact OD1-NZ 3.48Å
116	Q	69.1	Low	79	Confident	120 Å²	120	48.4 Å²	48.4	56%	0.561	27%	0.267	S	S	*	.			trans	-96.7	106.7	171	-166.8	172.7	1.1	0	0	108.5	Q122	Q116-Q122 HydrophobicContact CG-CG 4.29Å
117	D	59.8	Low	78.5	Confident	60 Å²	60	51.8 Å²	51.8	32%	0.321	29%	0.29	S	S	.	.			trans	-78.4	149.9	167.7	-74.7	-23	0	0	0	109.1	V119 Q120	D117-V119 PolarHBondContact O-N 3.33Å; D117-Q120 HydrophobicContact CB-CB 4.33Å; D117-Q120 PolarHBondContact O-N 3.1Å
118	A	51.7	Low	77.7	Confident	117 Å²	117	57.1 Å²	57.1	97%	0.967	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-12.6	-176.1	0	0	0	0	0	114.6
119	V	52.3	Low	76.5	Confident	148 Å²	148	59 Å²	59	90%	0.897	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	-11.3	-177.9	-170.5	0	0	0	0	112.1	D117	D117-V119 PolarHBondContact O-N 3.33Å
120	Q	55.2	Low	75	Confident	39 Å²	39	68.8 Å²	68.8	18%	0.182	38%	0.375	C	S	.	.	S	Bend	trans	-112.9	127.9	-169.1	-144.7	153.1	2.5	0	0	111.2	D117 C453	D117-Q120 HydrophobicContact CB-CB 4.33Å; D117-Q120 PolarHBondContact O-N 3.1Å; Q120-C453 PolarHBondContact NE2-O 3.21Å
121	S	63.6	Low	74	Confident	88 Å²	88	73.6 Å²	73.6	62%	0.615	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-62.3	153.6	170	49.6	0	0	0	0	110.4	C123	S121-C123 PolarHBondContact O-N 3.38Å
122	Q	78	Confident	73.8	Confident	53 Å²	53	76 Å²	76	25%	0.248	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-62.2	123.1	174.2	-68.2	167.9	-25.3	0	0	108.8	Q116 H124 W133	Q116-Q122 HydrophobicContact CG-CG 4.29Å; Q122-H124 WeakPolarHBondContact CB-NE2 3.31Å; Q122-H124 PolarHBondContact O-CD2 2.93Å; Q122-H124 VanDerWaalsContact O-CD2 3.25Å; Q122-H124 PolarHBondContact O-NE2 3.3Å; Q122-H124 VanDerWaalsContact O-NE2 3.09Å; Q122-W133 VanDerWaalsContact CD-NE1 3.33Å
123	C	87.1	Confident	73.7	Confident	6 Å²	6	71.7 Å²	71.7	4%	0.041	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-91.2	136.7	179.8	-54.4	0	0	0	0	109.8	H109 S121 F450 C453 L454	H109-C123 PolarHBondContact NE2-O 3.14Å; S121-C123 PolarHBondContact O-N 3.38Å; C123-F450 HydrophobicContact CB-CD2 4.2Å; C123-F450 HydrophobicContact CB-CE2 4.35Å; C123-C453 WeakPolarHBondContact CA-SG 3.35Å; C123-C453 HydrophobicContact CB-CB 3.7Å; C123-C453 WeakPolarHBondContact CB-SG 3.27Å; C123-C453 WeakPolarHBondContact SG-CB 3.47Å; C123-C453 PolarHBondContact SG-O 2.89Å; C123-C453 VanDerWaalsContact SG-O 3.37Å; C123-C453 CovalentContact SG-SG 2.04Å; C123-C453 PolarHBondContact SG-SG 3.09Å; C123-L454 HydrophobicContact CB-CD2 3.79Å; C123-L454 HydrophobicContact CB-CG 3.96Å
124	H	89.9	Confident	73.8	Confident	45 Å²	45	76.3 Å²	76.3	21%	0.208	42%	0.419	C	S	.	.			trans	-135.8	136.4	-177.1	-49.1	-67.1	0	0	0	109.7	Q122 W133 F450	Q122-H124 WeakPolarHBondContact CB-NE2 3.31Å; Q122-H124 PolarHBondContact O-CD2 2.93Å; Q122-H124 VanDerWaalsContact O-CD2 3.25Å; Q122-H124 PolarHBondContact O-NE2 3.3Å; Q122-H124 VanDerWaalsContact O-NE2 3.09Å; H124-W133 AromaticContact CE1-CD2 3.31Å; H124-W133 AromaticContact CE1-CE2 3.14Å; H124-W133 AromaticContact CE1-CE3 3.53Å; H124-W133 AromaticContact CE1-CH2 3.44Å; H124-W133 VanDerWaalsContact CE1-CH2 3.44Å; H124-W133 WeakPolarHBondContact CE1-CH2 3.37Å; H124-W133 AromaticContact CE1-CZ2 3.24Å; H124-W133 WeakPolarHBondContact CE1-CZ2 3.41Å; H124-W133 AromaticContact CE1-CZ3 3.57Å; H124-W133 AromaticContact CE1-NE1 3.65Å; H124-W133 AromaticContact ND1-CD2 3.81Å; H124-W133 AromaticContact ND1-CE2 3.79Å; H124-W133 AromaticContact ND1-CE3 3.51Å; H124-W133 AromaticContact ND1-CH2 3.18Å; H124-W133 WeakPolarHBondContact ND1-CH2 3.28Å; H124-W133 AromaticContact ND1-CZ2 3.53Å; H124-W133 AromaticContact ND1-CZ3 3.17Å; H124-W133 WeakPolarHBondContact ND1-CZ3 3.36Å; H124-F450 VanDerWaalsContact C-CD2 3.43Å
125	L	93.6	Very high	73.9	Confident	4 Å²	4	82.1 Å²	82.1	2%	0.021	44%	0.444	C	S	.	.	S	Bend	trans	-87.9	-40.2	170.4	179.6	60.7	0	0	0	111.1	V45 D105 L435 V442 F447 F450	V45-L125 HydrophobicContact CG1-CB 4.16Å; V45-L125 HydrophobicContact CG1-CD2 3.71Å; D105-L125 VanDerWaalsContact CG-N 3.28Å; D105-L125 WeakPolarHBondContact OD1-CB 3.31Å; D105-L125 PolarHBondContact OD1-N 3.01Å; D105-L125 PolarHBondContact OD2-N 3.02Å; L125-L435 HydrophobicContact CD2-CD1 4.42Å; L125-V442 HydrophobicContact CD1-CG1 3.62Å; L125-V442 HydrophobicContact CG-CG1 4.01Å; L125-V442 HydrophobicContact CG-CG2 4.18Å; L125-F447 HydrophobicContact CD1-CB 4.21Å; L125-F447 HydrophobicContact CD1-CD2 4Å; L125-F450 HydrophobicContact CB-CB 4.33Å; L125-F450 HydrophobicContact CB-CD1 4.05Å; L125-F450 HydrophobicContact CB-CD2 4.05Å; L125-F450 HydrophobicContact CB-CE1 4.31Å; L125-F450 HydrophobicContact CB-CE2 4.31Å; L125-F450 HydrophobicContact CB-CG 3.89Å; L125-F450 HydrophobicContact CB-CZ 4.42Å; L125-F450 HydrophobicContact CD1-CB 3.97Å; L125-F450 HydrophobicContact CD1-CD1 3.99Å; L125-F450 HydrophobicContact CD1-CG 4.12Å; L125-F450 HydrophobicContact CG-CD1 4.45Å
126	Y	92.1	Very high	74.2	Confident	16 Å²	16	77.7 Å²	77.7	6%	0.063	43%	0.426	C	S	.	.	S	Bend	trans	-89.5	151.5	-177.4	-66.9	-86.1	0	0	0	111	V45 S49 N103 A104 D105 L128 D441 V442	V45-Y126 HydrophobicContact CG1-CE2 4.17Å; S49-Y126 WeakPolarHBondContact CB-OH 3.3Å; S49-Y126 WeakPolarHBondContact OG-CE2 3.48Å; S49-Y126 PolarHBondContact OG-OH 3.47Å; N103-Y126 HydrophobicContact CB-CG 4.47Å; A104-Y126 HydrophobicContact CB-CD2 4.5Å; A104-Y126 HydrophobicContact CB-CE2 3.92Å; D105-Y126 WeakPolarHBondContact OD2-CB 3.45Å; D105-Y126 PolarHBondContact OD2-N 3.2Å; Y126-L128 PolarHBondContact O-N 3.03Å; Y126-D441 WeakPolarHBondContact CE1-OD2 3.37Å; Y126-V442 HydrophobicContact CD1-CG2 3.71Å; Y126-V442 HydrophobicContact CE1-CG2 3.48Å; Y126-V442 VanDerWaalsContact CE1-CG2 3.48Å; Y126-V442 HydrophobicContact CG-CG2 4.43Å
127	P	81.2	Confident	75.1	Confident	72 Å²	72	72.3 Å²	72.3	47%	0.468	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-51	140.2	169.2	-25.4	34.5	0	0	0	111.1
128	L	75.4	Confident	76.5	Confident	111 Å²	111	74 Å²	74	58%	0.581	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-57.8	145	-178.8	-69.6	174.4	0	0	0	110.8	Y126 W133	Y126-L128 PolarHBondContact O-N 3.03Å; L128-W133 HydrophobicContact CD2-CB 4.16Å; L128-W133 HydrophobicContact CD2-CD2 4.44Å; L128-W133 HydrophobicContact CD2-CE3 4.07Å; L128-W133 HydrophobicContact CD2-CG 4.46Å
129	P	64.6	Low	78.3	Confident	41 Å²	41	72.1 Å²	72.1	27%	0.266	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-58.1	158.4	176.5	-18.7	29.3	0	0	0	112.2	E131 W133	P129-E131 CarbonylContact C-O 3.57Å; P129-E131 PolarHBondContact O-N 2.88Å; P129-E131 VanDerWaalsContact O-O 3.07Å; P129-W133 HydrophobicContact CG-CE3 4.37Å
130	Q	59	Low	80.2	Confident	215 Å²	215	65 Å²	65	100%	1.005	33%	0.334	S	S	*	.	S	Bend	trans	-61.4	-32.5	171.7	-75	-177	-10	0	0	112.1
131	E	68.9	Low	81.8	Confident	108 Å²	108	66 Å²	66	51%	0.505	34%	0.337	S	S	.	.	S	Bend	trans	-81.5	152	168.5	-67.2	-176.5	178.6	0	0	111.1	P129 W133	P129-E131 CarbonylContact C-O 3.57Å; P129-E131 PolarHBondContact O-N 2.88Å; P129-E131 VanDerWaalsContact O-O 3.07Å; E131-W133 PolarHBondContact O-N 3.48Å; E131-W133 VanDerWaalsContact O-N 3.1Å
132	A	79.3	Confident	83	Confident	72 Å²	72	66 Å²	66	60%	0.595	33%	0.327	S	S	*	.			trans	-58.6	120.1	178.5	0	0	0	0	0	110.7	K134 F135 T136	A132-K134 PolarHBondContact O-N 3.42Å; A132-F135 WeakPolarHBondContact O-CA 3.32Å; A132-F135 WeakPolarHBondContact O-CB 3.48Å; A132-F135 PolarHBondContact O-N 3.02Å; A132-T136 PolarHBondContact O-N 3.31Å
133	W	82.6	Confident	83.6	Confident	18 Å²	18	65.1 Å²	65.1	7%	0.068	32%	0.324	C	S	.	.	H	α-helix	trans	-41.4	-44	-178.5	168.9	-88.5	0	0	0	114.3	D105 V106 H109 Q122 H124 L128 P129 E131 F135 T136 L137	D105-W133 HydrophobicContact CB-CH2 3.58Å; D105-W133 HydrophobicContact CB-CZ3 3.8Å; V106-W133 HydrophobicContact CB-CH2 4.18Å; V106-W133 HydrophobicContact CB-CZ3 4.29Å; V106-W133 HydrophobicContact CG2-CE3 3.77Å; V106-W133 HydrophobicContact CG2-CH2 3.58Å; V106-W133 HydrophobicContact CG2-CZ2 4.34Å; V106-W133 HydrophobicContact CG2-CZ3 3.25Å; H109-W133 HydrophobicContact CB-CZ2 4.18Å; H109-W133 AromaticContact CD2-CH2 3.85Å; H109-W133 AromaticContact CD2-CZ2 3.61Å; H109-W133 AromaticContact CG-CZ2 3.91Å; Q122-W133 VanDerWaalsContact CD-NE1 3.33Å; H124-W133 AromaticContact CE1-CD2 3.31Å; H124-W133 AromaticContact CE1-CE2 3.14Å; H124-W133 AromaticContact CE1-CE3 3.53Å; H124-W133 AromaticContact CE1-CH2 3.44Å; H124-W133 VanDerWaalsContact CE1-CH2 3.44Å; H124-W133 WeakPolarHBondContact CE1-CH2 3.37Å; H124-W133 AromaticContact CE1-CZ2 3.24Å; H124-W133 WeakPolarHBondContact CE1-CZ2 3.41Å; H124-W133 AromaticContact CE1-CZ3 3.57Å; H124-W133 AromaticContact CE1-NE1 3.65Å; H124-W133 AromaticContact ND1-CD2 3.81Å; H124-W133 AromaticContact ND1-CE2 3.79Å; H124-W133 AromaticContact ND1-CE3 3.51Å; H124-W133 AromaticContact ND1-CH2 3.18Å; H124-W133 WeakPolarHBondContact ND1-CH2 3.28Å; H124-W133 AromaticContact ND1-CZ2 3.53Å; H124-W133 AromaticContact ND1-CZ3 3.17Å; H124-W133 WeakPolarHBondContact ND1-CZ3 3.36Å; L128-W133 HydrophobicContact CD2-CB 4.16Å; L128-W133 HydrophobicContact CD2-CD2 4.44Å; L128-W133 HydrophobicContact CD2-CE3 4.07Å; L128-W133 HydrophobicContact CD2-CG 4.46Å; P129-W133 HydrophobicContact CG-CE3 4.37Å; E131-W133 PolarHBondContact O-N 3.48Å; E131-W133 VanDerWaalsContact O-N 3.1Å; W133-F135 VanDerWaalsContact C-N 3.27Å; W133-F135 PolarHBondContact O-N 3.24Å; W133-T136 PolarHBondContact O-N 3.48Å; W133-L137 WeakPolarHBondContact O-CB 3.35Å; W133-L137 PolarHBondContact O-N 2.87Å
134	K	83.7	Confident	83.6	Confident	159 Å²	159	66.3 Å²	66.3	69%	0.691	33%	0.33	S	S	*	.	H	α-helix	trans	-56.9	-41.5	179.1	-174.3	178.7	179.9	-179.5	0	112.1	A132 E138	A132-K134 PolarHBondContact O-N 3.42Å; K134-E138 WeakPolarHBondContact O-CG 3.17Å; K134-E138 PolarHBondContact O-N 3.18Å
135	F	85.6	Confident	83.2	Confident	127 Å²	127	72 Å²	72	56%	0.557	35%	0.354	S	S	*	.	H	α-helix	trans	-68.4	-45.1	177.9	-178.9	-99.4	0	0	0	111.2	A132 W133 L137 E138 K139	A132-F135 WeakPolarHBondContact O-CA 3.32Å; A132-F135 WeakPolarHBondContact O-CB 3.48Å; A132-F135 PolarHBondContact O-N 3.02Å; W133-F135 VanDerWaalsContact C-N 3.27Å; W133-F135 PolarHBondContact O-N 3.24Å; F135-L137 VanDerWaalsContact C-N 3.32Å; F135-L137 PolarHBondContact O-N 2.83Å; F135-E138 PolarHBondContact O-N 2.79Å; F135-K139 WeakPolarHBondContact O-CB 3.34Å; F135-K139 PolarHBondContact O-N 2.55Å
136	T	86.3	Confident	82.1	Confident	13 Å²	13	81 Å²	81	8%	0.08	39%	0.387	C	S	.	.	H	α-helix	trans	-59.6	-42.9	177	-42.7	0	0	0	0	111.6	M102 V106 A132 W133 K139 A140	M102-T136 HydrophobicContact CE-CG2 4.49Å; M102-T136 HydrophobicContact CG-CG2 4.42Å; V106-T136 HydrophobicContact CG1-CG2 4.15Å; V106-T136 HydrophobicContact CG2-CG2 4.13Å; A132-T136 PolarHBondContact O-N 3.31Å; W133-T136 PolarHBondContact O-N 3.48Å; T136-K139 WeakPolarHBondContact O-CB 3.41Å; T136-K139 PolarHBondContact O-N 3.29Å; T136-A140 WeakPolarHBondContact O-CB 3.43Å; T136-A140 PolarHBondContact O-N 3Å
137	L	87.6	Confident	80.7	Confident	6 Å²	6	80.9 Å²	80.9	3%	0.031	39%	0.389	C	S	.	.	H	α-helix	trans	-67.6	-40.1	177.2	-177	60.2	0	0	0	112.4	H109 A110 W133 F135 A140 K141	H109-L137 HydrophobicContact CB-CD1 3.69Å; H109-L137 HydrophobicContact CB-CD2 4.36Å; A110-L137 HydrophobicContact CB-CD1 4.22Å; W133-L137 WeakPolarHBondContact O-CB 3.35Å; W133-L137 PolarHBondContact O-N 2.87Å; F135-L137 VanDerWaalsContact C-N 3.32Å; F135-L137 PolarHBondContact O-N 2.83Å; L137-A140 WeakPolarHBondContact O-CB 3.49Å; L137-A140 PolarHBondContact O-N 3.46Å; L137-K141 HydrophobicContact CG-CD 4.49Å; L137-K141 WeakPolarHBondContact O-CG 3.26Å; L137-K141 PolarHBondContact O-N 3.39Å
138	E	88.8	Confident	79.4	Confident	95 Å²	95	83.6 Å²	83.6	44%	0.444	41%	0.41	S	S	.	.	H	α-helix	trans	-65.6	-39.4	173.9	-74.1	-56.9	142.3	0	0	111.8	K134 F135 A140 K141 H142	K134-E138 WeakPolarHBondContact O-CG 3.17Å; K134-E138 PolarHBondContact O-N 3.18Å; F135-E138 PolarHBondContact O-N 2.79Å; E138-A140 VanDerWaalsContact C-N 3.34Å; E138-A140 PolarHBondContact O-N 2.92Å; E138-K141 PolarHBondContact O-N 3.11Å; E138-H142 WeakPolarHBondContact O-CB 3.34Å; E138-H142 PolarHBondContact O-N 3.24Å
139	K	90.7	Very high	78.1	Confident	78 Å²	78	81.1 Å²	81.1	34%	0.339	40%	0.399	S	S	.	.	H	α-helix	trans	-58.6	-46.7	171.9	-175.2	-173.6	174.1	-165.2	0	110.6	E100 M102 F135 T136 H142 I143	E100-K139 VanDerWaalsContact OE2-CE 3.27Å; E100-K139 WeakPolarHBondContact OE2-CE 3.31Å; E100-K139 IonicContact OE2-NZ 3.86Å; E100-K139 PolarHBondContact OE2-NZ 3.3Å; M102-K139 HydrophobicContact CE-CB 4.26Å; M102-K139 HydrophobicContact CE-CD 4.03Å; M102-K139 HydrophobicContact CE-CG 4.04Å; F135-K139 WeakPolarHBondContact O-CB 3.34Å; F135-K139 PolarHBondContact O-N 2.55Å; T136-K139 WeakPolarHBondContact O-CB 3.41Å; T136-K139 PolarHBondContact O-N 3.29Å; K139-H142 WeakPolarHBondContact O-CB 3.09Å; K139-H142 PolarHBondContact O-N 3.48Å; K139-I143 HydrophobicContact CG-CD1 4.14Å; K139-I143 WeakPolarHBondContact O-CG1 3.41Å; K139-I143 PolarHBondContact O-N 3.23Å
140	A	90.3	Very high	77.2	Confident	0 Å²	0	84.2 Å²	84.2	0%	0	42%	0.418	C	S	.	.	H	α-helix	trans	-57.9	-51.3	176.8	0	0	0	0	0	111.6	L97 M102 V106 A110 T136 L137 E138 H142 I143 L144	L97-A140 HydrophobicContact CD2-CB 3.82Å; M102-A140 HydrophobicContact CE-CB 3.88Å; M102-A140 HydrophobicContact SD-CB 3.5Å; M102-A140 VanDerWaalsContact SD-CB 3.5Å; V106-A140 HydrophobicContact CG1-CB 3.9Å; A110-A140 HydrophobicContact CB-CB 3.68Å; T136-A140 WeakPolarHBondContact O-CB 3.43Å; T136-A140 PolarHBondContact O-N 3Å; L137-A140 WeakPolarHBondContact O-CB 3.49Å; L137-A140 PolarHBondContact O-N 3.46Å; E138-A140 VanDerWaalsContact C-N 3.34Å; E138-A140 PolarHBondContact O-N 2.92Å; A140-H142 PolarHBondContact O-N 2.5Å; A140-I143 WeakPolarHBondContact O-CB 3.46Å; A140-I143 PolarHBondContact O-N 2.93Å; A140-I143 VanDerWaalsContact O-N 3.16Å; A140-L144 WeakPolarHBondContact O-CG 3.5Å; A140-L144 PolarHBondContact O-N 3.38Å
141	K	89	Confident	76.4	Confident	58 Å²	58	83.5 Å²	83.5	25%	0.252	41%	0.411	S	S	.	.	H	α-helix	trans	-58.9	-36.1	176.7	-73.9	176.5	176.1	-179.5	0	112.2	L137 E138 L144 K145	L137-K141 HydrophobicContact CG-CD 4.49Å; L137-K141 WeakPolarHBondContact O-CG 3.26Å; L137-K141 PolarHBondContact O-N 3.39Å; E138-K141 PolarHBondContact O-N 3.11Å; K141-L144 PolarHBondContact O-N 3.25Å; K141-K145 VanDerWaalsContact O-CG 3.31Å; K141-K145 WeakPolarHBondContact O-CG 3.44Å; K141-K145 PolarHBondContact O-N 3.43Å
142	H	90.6	Very high	75.3	Confident	89 Å²	89	83 Å²	83	41%	0.412	41%	0.405	S	S	.	.	H	α-helix	trans	-70.2	-39.5	177	-167.2	63.8	0	0	0	113	E138 K139 A140 L144 K145 R146	E138-H142 WeakPolarHBondContact O-CB 3.34Å; E138-H142 PolarHBondContact O-N 3.24Å; K139-H142 WeakPolarHBondContact O-CB 3.09Å; K139-H142 PolarHBondContact O-N 3.48Å; A140-H142 PolarHBondContact O-N 2.5Å; H142-L144 VanDerWaalsContact C-N 3.31Å; H142-L144 PolarHBondContact O-N 3.27Å; H142-K145 PolarHBondContact O-N 2.96Å; H142-R146 PolarHBondContact NE2-NE 3.08Å; H142-R146 VanDerWaalsContact NE2-NE 3.14Å; H142-R146 PolarHBondContact NE2-NH2 2.81Å; H142-R146 WeakPolarHBondContact O-CG 3.39Å; H142-R146 PolarHBondContact O-N 3.03Å
143	I	89	Confident	73.3	Confident	34 Å²	34	87.9 Å²	87.9	17%	0.174	42%	0.415	C	S	.	.	H	α-helix	trans	-58.8	-45.7	172.5	-69.4	157.7	0	0	0	110	K96 L97 E100 M102 K139 A140 R146 S147	K96-I143 HydrophobicContact CB-CG2 4Å; L97-I143 HydrophobicContact CD2-CB 4.39Å; L97-I143 HydrophobicContact CD2-CG2 4.31Å; E100-I143 HydrophobicContact CB-CD1 4.37Å; E100-I143 HydrophobicContact CG-CD1 3.82Å; M102-I143 HydrophobicContact CE-CD1 3.74Å; K139-I143 HydrophobicContact CG-CD1 4.14Å; K139-I143 WeakPolarHBondContact O-CG1 3.41Å; K139-I143 PolarHBondContact O-N 3.23Å; A140-I143 WeakPolarHBondContact O-CB 3.46Å; A140-I143 PolarHBondContact O-N 2.93Å; A140-I143 VanDerWaalsContact O-N 3.16Å; I143-R146 PolarHBondContact O-N 3.4Å; I143-S147 PolarHBondContact O-N 3.35Å
144	L	86.9	Confident	71.2	Confident	31 Å²	31	97.2 Å²	97.2	16%	0.162	46%	0.456	C	S	.	.	H	α-helix	trans	-65.7	-40.1	178	-63.8	-176.7	0	0	0	112.7	D93 L97 A110 L111 A140 K141 H142 R146 S147	D93-L144 HydrophobicContact CB-CD2 3.58Å; L97-L144 HydrophobicContact CD1-CD1 4.24Å; L97-L144 HydrophobicContact CD1-CD2 4.02Å; L97-L144 HydrophobicContact CD1-CG 4.33Å; L97-L144 HydrophobicContact CD2-CD2 4.29Å; L97-L144 HydrophobicContact CD2-CG 4.3Å; L97-L144 HydrophobicContact CG-CD2 4.17Å; A110-L144 HydrophobicContact CB-CD1 3.86Å; A110-L144 VanDerWaalsContact O-CD1 3.29Å; A110-L144 WeakPolarHBondContact O-CD1 3.4Å; L111-L144 HydrophobicContact CD2-CD1 4.14Å; A140-L144 WeakPolarHBondContact O-CG 3.5Å; A140-L144 PolarHBondContact O-N 3.38Å; K141-L144 PolarHBondContact O-N 3.25Å; H142-L144 VanDerWaalsContact C-N 3.31Å; H142-L144 PolarHBondContact O-N 3.27Å; L144-R146 PolarHBondContact O-N 2.04Å; L144-S147 WeakPolarHBondContact O-CB 3.29Å; L144-S147 PolarHBondContact O-N 3.23Å; L144-S147 VanDerWaalsContact O-N 3.07Å
145	K	82.3	Confident	68.9	Low	164 Å²	164	94.1 Å²	94.1	71%	0.713	46%	0.455	S	S	*	.	H	α-helix	trans	-62.7	-28.7	176.1	-76.9	172.8	-175.9	173.7	0	113.8	K141 H142 S147	K141-K145 VanDerWaalsContact O-CG 3.31Å; K141-K145 WeakPolarHBondContact O-CG 3.44Å; K141-K145 PolarHBondContact O-N 3.43Å; H142-K145 PolarHBondContact O-N 2.96Å; K145-S147 VanDerWaalsContact C-N 3.35Å
146	R	71.2	Confident	66.4	Low	193 Å²	193	92 Å²	92	73%	0.728	47%	0.469	S	S	*	.	H	α-helix	trans	-82.3	-15.2	176.5	-71.1	177.5	171.4	-177.3	-2.4	112.8	H142 I143 L144	H142-R146 PolarHBondContact NE2-NE 3.08Å; H142-R146 VanDerWaalsContact NE2-NE 3.14Å; H142-R146 PolarHBondContact NE2-NH2 2.81Å; H142-R146 WeakPolarHBondContact O-CG 3.39Å; H142-R146 PolarHBondContact O-N 3.03Å; I143-R146 PolarHBondContact O-N 3.4Å; L144-R146 PolarHBondContact O-N 2.04Å
147	S	62.2	Low	64	Low	14 Å²	14	94.7 Å²	94.7	10%	0.098	49%	0.488	C	S	.	.	S	Bend	trans	-74.4	122.8	173.9	-162.5	0	0	0	0	109.1	D93 K96 I143 L144 K145 T149	D93-S147 PolarHBondContact OD1-OG 2.87Å; D93-S147 VanDerWaalsContact OD1-OG 3.11Å; K96-S147 PolarHBondContact NZ-OG 3.5Å; I143-S147 PolarHBondContact O-N 3.35Å; L144-S147 WeakPolarHBondContact O-CB 3.29Å; L144-S147 PolarHBondContact O-N 3.23Å; L144-S147 VanDerWaalsContact O-N 3.07Å; K145-S147 VanDerWaalsContact C-N 3.35Å; S147-T149 PolarHBondContact O-N 3.46Å; S147-T149 PolarHBondContact OG-OG1 2.91Å
148	S	52.7	Low	61.9	Low	130 Å²	130	98 Å²	98	91%	0.909	51%	0.506	S	S	*	.			trans	-75.6	21.1	178.4	47.2	0	0	0	0	114.1
149	T	48.9	Very low	59.6	Low	58 Å²	58	93.7 Å²	93.7	36%	0.356	49%	0.486	S	S	.	.			trans	-88.8	118.5	-172.3	-24.8	0	0	0	0	111.3	S147	S147-T149 PolarHBondContact O-N 3.46Å; S147-T149 PolarHBondContact OG-OG1 2.91Å
150	V	44.9	Very low	57.3	Low	107 Å²	107	90.9 Å²	90.9	65%	0.648	48%	0.476	S	S	*	.			trans	11.4	115.9	161.7	-173.6	0	0	0	0	116	Y152	V150-Y152 PolarHBondContact O-N 2.92Å
151	K	42.5	Very low	55.1	Low	200 Å²	200	95 Å²	95	87%	0.87	51%	0.505	S	S	*	.			trans	-52.1	108.7	160.5	-76.4	-178.6	178.6	178	0	108	H153	K151-H153 PolarHBondContact O-N 3.21Å
152	Y	45.9	Very low	52.8	Low	98 Å²	98	95.1 Å²	95.1	38%	0.384	51%	0.508	S	S	.	.			trans	-55	105.6	174.4	-61.6	-79.9	0	0	0	108.1	M89 F90 D93 V150 K154	M89-Y152 PolarHBondContact O-OH 2.92Å; F90-Y152 HydrophobicContact CD1-CD1 4.46Å; F90-Y152 AromaticContact CD1-CE1 3.56Å; F90-Y152 HydrophobicContact CD1-CE1 3.56Å; F90-Y152 AromaticContact CD1-CZ 3.65Å; F90-Y152 WeakPolarHBondContact CD1-OH 3.38Å; F90-Y152 AromaticContact CE1-CD1 3.74Å; F90-Y152 HydrophobicContact CE1-CD1 3.74Å; F90-Y152 AromaticContact CE1-CE1 3.27Å; F90-Y152 HydrophobicContact CE1-CE1 3.27Å; F90-Y152 HydrophobicContact CE1-CE2 4.41Å; F90-Y152 HydrophobicContact CE1-CG 4.48Å; F90-Y152 AromaticContact CE1-CZ 3.67Å; F90-Y152 HydrophobicContact CZ-CD1 4.26Å; F90-Y152 HydrophobicContact CZ-CE1 4.07Å; D93-Y152 PolarHBondContact OD2-OH 2.89Å; V150-Y152 PolarHBondContact O-N 2.92Å; Y152-K154 PolarHBondContact O-N 3.45Å
153	H	37.9	Very low	50.4	Low	174 Å²	174	96.1 Å²	96.1	81%	0.806	52%	0.522	S	S	*	.			trans	-59.7	126.1	169.6	-93	-73.2	0	0	0	106.5	K151 S155	K151-H153 PolarHBondContact O-N 3.21Å; H153-S155 PolarHBondContact O-N 2.68Å
154	K	38.8	Very low	48.1	Very low	213 Å²	213	100.4 Å²	100.4	93%	0.926	54%	0.54	S	S	*	.			trans	-56.9	81	163.3	-78.9	-179.4	173.9	178.9	0	108	Y152 G156	Y152-K154 PolarHBondContact O-N 3.45Å; K154-G156 PolarHBondContact O-N 3.09Å
155	S	34.5	Very low	45.8	Very low	95 Å²	95	100.1 Å²	100.1	66%	0.664	54%	0.538	S	S	*	.			trans	-80.2	79	172.4	-172.3	0	0	0	0	107	H153 S157	H153-S155 PolarHBondContact O-N 2.68Å; S155-S157 PolarHBondContact O-N 3.21Å; S155-S157 PolarHBondContact OG-OG 2.72Å
156	G	34.2	Very low	44.3	Very low	83 Å²	83	94 Å²	94	86%	0.856	52%	0.518	S	S	*	.			trans	-82.1	36.5	168	0	0	0	0	0	112	K154	K154-G156 PolarHBondContact O-N 3.09Å
157	S	35.2	Very low	43.2	Very low	69 Å²	69	92.7 Å²	92.7	48%	0.483	52%	0.518	S	S	.	.			trans	-107.6	96.5	177.4	44.9	0	0	0	0	109.9	S155	S155-S157 PolarHBondContact O-N 3.21Å; S155-S157 PolarHBondContact OG-OG 2.72Å
158	N	43.5	Very low	42.7	Very low	75 Å²	75	96 Å²	96	40%	0.401	53%	0.533	S	S	.	.			trans	-55	132.6	170.7	177.6	-9	0	0	0	109.8	L16 C160 S161	L16-N158 WeakPolarHBondContact CD1-OD1 3.4Å; N158-C160 PolarHBondContact O-N 3.36Å; N158-C160 VanDerWaalsContact O-N 3.09Å; N158-C160 WeakPolarHBondContact OD1-CB 3.43Å; N158-C160 PolarHBondContact OD1-N 2.82Å; N158-C160 PolarHBondContact OD1-SG 2.96Å; N158-C160 VanDerWaalsContact OD1-SG 3.35Å; N158-S161 VanDerWaalsContact O-CB 3.28Å; N158-S161 WeakPolarHBondContact O-CB 3.49Å; N158-S161 PolarHBondContact O-N 2.56Å; N158-S161 PolarHBondContact O-OG 2.89Å
159	I	40.8	Very low	42.7	Very low	4 Å²	4	90 Å²	90	2%	0.021	49%	0.492	C	S	.	.	G	3₁₀ helix	trans	-57.8	-26.8	178.8	-154.7	168.3	0	0	0	112.8	P12 L13 S161 L162 L165	P12-I159 HydrophobicContact CB-CB 3.53Å; P12-I159 HydrophobicContact CB-CD1 4.38Å; P12-I159 HydrophobicContact CB-CG1 4.18Å; P12-I159 HydrophobicContact CG-CB 3.5Å; P12-I159 HydrophobicContact CG-CD1 3.77Å; P12-I159 HydrophobicContact CG-CG1 3.59Å; P12-I159 WeakPolarHBondContact O-CG2 3.32Å; L13-I159 HydrophobicContact CB-CD1 4Å; L13-I159 HydrophobicContact CB-CG2 3.94Å; L13-I159 HydrophobicContact CD1-CG2 3.75Å; L13-I159 HydrophobicContact CG-CG2 4.43Å; L13-I159 VanDerWaalsContact N-CG2 3.29Å; I159-S161 PolarHBondContact O-N 3.01Å; I159-S161 VanDerWaalsContact O-N 3.11Å; I159-L162 HydrophobicContact CG1-CD1 3.81Å; I159-L162 VanDerWaalsContact O-CB 3.26Å; I159-L162 WeakPolarHBondContact O-CB 3.17Å; I159-L162 WeakPolarHBondContact O-CG 3.04Å; I159-L162 PolarHBondContact O-N 3.02Å; I159-L165 HydrophobicContact CD1-CD1 3.56Å; I159-L165 HydrophobicContact CG1-CD1 3.59Å
160	C	41.7	Very low	43.2	Very low	20 Å²	20	93.1 Å²	93.1	14%	0.135	50%	0.502	C	S	.	.	G	3₁₀ helix	trans	-72	-2.3	-178.7	-53.9	0	0	0	0	111.8	L16 N158 L162 A166 C169	L16-C160 HydrophobicContact CD1-CB 4.44Å; L16-C160 WeakPolarHBondContact CD1-SG 3.11Å; N158-C160 PolarHBondContact O-N 3.36Å; N158-C160 VanDerWaalsContact O-N 3.09Å; N158-C160 WeakPolarHBondContact OD1-CB 3.43Å; N158-C160 PolarHBondContact OD1-N 2.82Å; N158-C160 PolarHBondContact OD1-SG 2.96Å; N158-C160 VanDerWaalsContact OD1-SG 3.35Å; C160-L162 VanDerWaalsContact C-N 3.28Å; C160-A166 WeakPolarHBondContact O-CB 3.01Å; C160-C169 VanDerWaalsContact CA-SG 3.6Å; C160-C169 HydrophobicContact CB-CB 3.52Å; C160-C169 WeakPolarHBondContact CB-SG 3.44Å; C160-C169 WeakPolarHBondContact SG-CB 3.49Å; C160-C169 CovalentContact SG-SG 2.04Å; C160-C169 PolarHBondContact SG-SG 3.45Å
161	S	44.4	Very low	43.8	Very low	86 Å²	86	93.5 Å²	93.5	60%	0.601	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-75	-12.7	162.9	65.1	0	0	0	0	113.7	N158 I159	N158-S161 VanDerWaalsContact O-CB 3.28Å; N158-S161 WeakPolarHBondContact O-CB 3.49Å; N158-S161 PolarHBondContact O-N 2.56Å; N158-S161 PolarHBondContact O-OG 2.89Å; I159-S161 PolarHBondContact O-N 3.01Å; I159-S161 VanDerWaalsContact O-N 3.11Å
162	L	39.8	Very low	44.5	Very low	60 Å²	60	86.2 Å²	86.2	31%	0.314	47%	0.465	S	S	.	.	S	Bend	trans	-77.3	125.9	174.2	-65.3	177.2	0	0	0	110.4	I159 C160 F164 L165 A166	I159-L162 HydrophobicContact CG1-CD1 3.81Å; I159-L162 VanDerWaalsContact O-CB 3.26Å; I159-L162 WeakPolarHBondContact O-CB 3.17Å; I159-L162 WeakPolarHBondContact O-CG 3.04Å; I159-L162 PolarHBondContact O-N 3.02Å; C160-L162 VanDerWaalsContact C-N 3.28Å; L162-F164 VanDerWaalsContact C-N 3.27Å; L162-F164 HydrophobicContact CB-CD1 4.31Å; L162-F164 HydrophobicContact CB-CE1 3.93Å; L162-F164 HydrophobicContact CB-CZ 4.46Å; L162-F164 HydrophobicContact CD1-CE1 4.15Å; L162-F164 HydrophobicContact CD1-CZ 4.12Å; L162-F164 PolarHBondContact O-N 3.22Å; L162-L165 HydrophobicContact CB-CB 4.46Å; L162-L165 HydrophobicContact CD1-CD1 4.13Å; L162-L165 PolarHBondContact O-N 2.98Å; L162-A166 WeakPolarHBondContact O-CB 3.44Å; L162-A166 PolarHBondContact O-N 3.47Å
163	P	40.5	Very low	45.3	Very low	110 Å²	110	85.5 Å²	85.5	71%	0.714	47%	0.465	S	S	*	.	H	α-helix	trans	-56.6	-30.9	-170.1	-27.9	33.4	0	0	0	116.1
164	F	41	Very low	46.5	Very low	125 Å²	125	80.9 Å²	80.9	55%	0.548	45%	0.446	S	S	.	.	H	α-helix	trans	-85	-24.5	-179	65.8	-84.2	0	0	0	113.3	L162	L162-F164 VanDerWaalsContact C-N 3.27Å; L162-F164 HydrophobicContact CB-CD1 4.31Å; L162-F164 HydrophobicContact CB-CE1 3.93Å; L162-F164 HydrophobicContact CB-CZ 4.46Å; L162-F164 HydrophobicContact CD1-CE1 4.15Å; L162-F164 HydrophobicContact CD1-CZ 4.12Å; L162-F164 PolarHBondContact O-N 3.22Å
165	L	38.5	Very low	47.5	Very low	25 Å²	25	71.2 Å²	71.2	13%	0.131	41%	0.405	C	S	.	.	H	α-helix	trans	-94.2	-22.8	176.6	-69.5	169.8	0	0	0	112.4	I159 L162 K167 I168 C169	I159-L165 HydrophobicContact CD1-CD1 3.56Å; I159-L165 HydrophobicContact CG1-CD1 3.59Å; L162-L165 HydrophobicContact CB-CB 4.46Å; L162-L165 HydrophobicContact CD1-CD1 4.13Å; L162-L165 PolarHBondContact O-N 2.98Å; L165-K167 VanDerWaalsContact C-N 3.26Å; L165-K167 PolarHBondContact O-N 2.8Å; L165-I168 PolarHBondContact O-N 2.96Å; L165-C169 WeakPolarHBondContact O-CB 3.43Å; L165-C169 PolarHBondContact O-N 2.81Å; L165-C169 PolarHBondContact O-SG 2.99Å; L165-C169 VanDerWaalsContact O-SG 3.4Å
166	A	51.4	Low	48.8	Very low	35 Å²	35	68.7 Å²	68.7	29%	0.289	39%	0.386	S	S	.	.	H	α-helix	trans	-51.1	-44.5	177.5	0	0	0	0	0	112.4	C160 L162 Q170	C160-A166 WeakPolarHBondContact O-CB 3.01Å; L162-A166 WeakPolarHBondContact O-CB 3.44Å; L162-A166 PolarHBondContact O-N 3.47Å; A166-Q170 WeakPolarHBondContact O-CB 3.29Å; A166-Q170 PolarHBondContact O-N 3.46Å
167	K	49.1	Very low	50.4	Low	165 Å²	165	71.5 Å²	71.5	72%	0.717	38%	0.375	S	S	*	.	H	α-helix	trans	-68.9	-35.2	178.8	-67.4	-173.1	179.5	-178.2	0	113.5	L165 K171	L165-K167 VanDerWaalsContact C-N 3.26Å; L165-K167 PolarHBondContact O-N 2.8Å; K167-K171 WeakPolarHBondContact O-CB 3.3Å; K167-K171 PolarHBondContact O-N 3.21Å
168	I	50	Low	52	Low	83 Å²	83	73.9 Å²	73.9	43%	0.426	38%	0.376	S	S	.	.	H	α-helix	trans	-75.7	-47	179.5	-62.3	174.1	0	0	0	109.7	L165 Q170 K171 I172	L165-I168 PolarHBondContact O-N 2.96Å; I168-Q170 VanDerWaalsContact C-N 3.34Å; I168-Q170 PolarHBondContact O-N 3.32Å; I168-K171 PolarHBondContact O-N 3.36Å; I168-K171 VanDerWaalsContact O-N 3.17Å; I168-I172 HydrophobicContact CG2-CD1 3.94Å; I168-I172 WeakPolarHBondContact O-CG1 3.34Å; I168-I172 PolarHBondContact O-N 3.07Å
169	C	54	Low	54	Low	6 Å²	6	70.5 Å²	70.5	4%	0.041	36%	0.359	C	S	.	.	H	α-helix	trans	-55	-49.8	171.7	-72.1	0	0	0	0	111.2	C160 L165 K171 I172 E173	C160-C169 VanDerWaalsContact CA-SG 3.6Å; C160-C169 HydrophobicContact CB-CB 3.52Å; C160-C169 WeakPolarHBondContact CB-SG 3.44Å; C160-C169 WeakPolarHBondContact SG-CB 3.49Å; C160-C169 CovalentContact SG-SG 2.04Å; C160-C169 PolarHBondContact SG-SG 3.45Å; L165-C169 WeakPolarHBondContact O-CB 3.43Å; L165-C169 PolarHBondContact O-N 2.81Å; L165-C169 PolarHBondContact O-SG 2.99Å; L165-C169 VanDerWaalsContact O-SG 3.4Å; C169-K171 VanDerWaalsContact C-N 3.26Å; C169-K171 PolarHBondContact O-N 3.3Å; C169-I172 PolarHBondContact O-N 3.45Å; C169-E173 WeakPolarHBondContact O-CB 3.39Å; C169-E173 WeakPolarHBondContact O-CG 3.43Å; C169-E173 PolarHBondContact O-N 3.25Å
170	Q	59.7	Low	56.3	Low	123 Å²	123	72 Å²	72	58%	0.575	37%	0.368	S	S	*	.	H	α-helix	trans	-60.5	-38.3	178.9	-173.6	179.7	25.3	0	0	111.2	A166 I168 L174	A166-Q170 WeakPolarHBondContact O-CB 3.29Å; A166-Q170 PolarHBondContact O-N 3.46Å; I168-Q170 VanDerWaalsContact C-N 3.34Å; I168-Q170 PolarHBondContact O-N 3.32Å; Q170-L174 WeakPolarHBondContact O-CB 3.38Å; Q170-L174 PolarHBondContact O-N 2.71Å
171	K	55.9	Low	58.7	Low	115 Å²	115	71.4 Å²	71.4	50%	0.5	36%	0.364	S	S	.	.	H	α-helix	trans	-70.9	-38.1	177.3	-167	177.2	178.9	178.8	0	112.1	K167 I168 C169 L174 S175 F182	K167-K171 WeakPolarHBondContact O-CB 3.3Å; K167-K171 PolarHBondContact O-N 3.21Å; I168-K171 PolarHBondContact O-N 3.36Å; I168-K171 VanDerWaalsContact O-N 3.17Å; C169-K171 VanDerWaalsContact C-N 3.26Å; C169-K171 PolarHBondContact O-N 3.3Å; K171-L174 PolarHBondContact O-N 2.92Å; K171-S175 WeakPolarHBondContact O-CB 3.34Å; K171-S175 PolarHBondContact O-N 3.4Å; K171-S175 PolarHBondContact O-OG 2.94Å; K171-S175 VanDerWaalsContact O-OG 3.14Å; K171-F182 HydrophobicContact CB-CD2 4.44Å; K171-F182 HydrophobicContact CB-CE2 3.77Å; K171-F182 HydrophobicContact CD-CD2 4.26Å; K171-F182 HydrophobicContact CD-CE2 3.66Å; K171-F182 HydrophobicContact CD-CZ 4.18Å; K171-F182 HydrophobicContact CG-CD2 3.86Å; K171-F182 HydrophobicContact CG-CE2 3.48Å; K171-F182 VanDerWaalsContact CG-CE2 3.48Å; K171-F182 HydrophobicContact CG-CZ 4.45Å
172	I	57.6	Low	60.8	Low	46 Å²	46	69.5 Å²	69.5	24%	0.236	35%	0.345	C	S	.	.	H	α-helix	trans	-65.7	-51.2	173.6	-67.4	168.1	0	0	0	110.5	I168 C169 L174 S175 V176 F182	I168-I172 HydrophobicContact CG2-CD1 3.94Å; I168-I172 WeakPolarHBondContact O-CG1 3.34Å; I168-I172 PolarHBondContact O-N 3.07Å; C169-I172 PolarHBondContact O-N 3.45Å; I172-L174 VanDerWaalsContact C-N 3.25Å; I172-L174 PolarHBondContact O-N 3.27Å; I172-S175 PolarHBondContact O-N 3.09Å; I172-V176 HydrophobicContact CG2-CG2 4.39Å; I172-V176 WeakPolarHBondContact O-CB 3.34Å; I172-V176 VanDerWaalsContact O-CG2 3.29Å; I172-V176 WeakPolarHBondContact O-CG2 3.45Å; I172-V176 PolarHBondContact O-N 3.45Å; I172-F182 HydrophobicContact CG1-CD2 4.09Å; I172-F182 HydrophobicContact CG1-CE2 3.8Å; I172-F182 HydrophobicContact CG1-CZ 4.41Å
173	E	62.7	Low	63.1	Low	83 Å²	83	71 Å²	71	39%	0.388	35%	0.348	S	S	.	.	H	α-helix	trans	-57.9	-39	175.8	-74.9	175.7	-169.2	0	0	111.1	L16 C169 V176 K177	L16-E173 WeakPolarHBondContact CD2-OE1 3.49Å; C169-E173 WeakPolarHBondContact O-CB 3.39Å; C169-E173 WeakPolarHBondContact O-CG 3.43Å; C169-E173 PolarHBondContact O-N 3.25Å; E173-V176 CarbonylContact O-C 3.53Å; E173-K177 WeakPolarHBondContact O-CA 3.37Å; E173-K177 WeakPolarHBondContact O-CB 3.46Å; E173-K177 PolarHBondContact O-N 2.93Å
174	L	63.3	Low	65.6	Low	78 Å²	78	67.1 Å²	67.1	41%	0.408	32%	0.322	S	S	.	.	H	α-helix	trans	-74.5	-38.8	-179.8	-163.7	123.4	0	0	0	112.3	Q170 K171 I172 K177 K178	Q170-L174 WeakPolarHBondContact O-CB 3.38Å; Q170-L174 PolarHBondContact O-N 2.71Å; K171-L174 PolarHBondContact O-N 2.92Å; I172-L174 VanDerWaalsContact C-N 3.25Å; I172-L174 PolarHBondContact O-N 3.27Å; L174-K177 PolarHBondContact O-N 2.92Å; L174-K178 HydrophobicContact CD2-CD 3.76Å; L174-K178 HydrophobicContact CD2-CG 4.48Å; L174-K178 HydrophobicContact CG-CD 4.04Å; L174-K178 HydrophobicContact CG-CG 4.33Å; L174-K178 VanDerWaalsContact O-CB 3.25Å; L174-K178 WeakPolarHBondContact O-CB 3.43Å; L174-K178 WeakPolarHBondContact O-CG 3.38Å; L174-K178 PolarHBondContact O-N 3.22Å
175	S	59.4	Low	68.2	Low	9 Å²	9	66.3 Å²	66.3	6%	0.063	33%	0.327	C	S	.	.	H	α-helix	trans	-64.1	-45.2	171.5	-69.2	0	0	0	0	111.3	K171 I172 K177 K178 A179 V180 F182	K171-S175 WeakPolarHBondContact O-CB 3.34Å; K171-S175 PolarHBondContact O-N 3.4Å; K171-S175 PolarHBondContact O-OG 2.94Å; K171-S175 VanDerWaalsContact O-OG 3.14Å; I172-S175 PolarHBondContact O-N 3.09Å; S175-K177 PolarHBondContact O-N 2.94Å; S175-K178 PolarHBondContact O-N 2.69Å; S175-A179 PolarHBondContact O-N 3.03Å; S175-V180 WeakPolarHBondContact CB-O 3.4Å; S175-V180 PolarHBondContact O-N 3.27Å; S175-F182 WeakPolarHBondContact OG-CA 3.41Å
176	V	61.4	Low	71	Confident	42 Å²	42	66.2 Å²	66.2	26%	0.255	33%	0.327	S	S	.	.	H	α-helix	trans	-73.5	-9	174.1	179.3	0	0	0	0	112.2	I172 E173 E295 R339	I172-V176 HydrophobicContact CG2-CG2 4.39Å; I172-V176 WeakPolarHBondContact O-CB 3.34Å; I172-V176 VanDerWaalsContact O-CG2 3.29Å; I172-V176 WeakPolarHBondContact O-CG2 3.45Å; I172-V176 PolarHBondContact O-N 3.45Å; E173-V176 CarbonylContact O-C 3.53Å; V176-E295 HydrophobicContact CG1-CG 4.41Å; V176-R339 PolarHBondContact O-NH2 3.39Å
177	K	68.4	Low	73.1	Confident	143 Å²	143	69 Å²	69	62%	0.622	34%	0.344	S	S	*	.	H	α-helix	trans	-97.2	-33.4	170.4	-173.6	170.2	-177.1	169.3	0	112	E173 L174 S175 R339	E173-K177 WeakPolarHBondContact O-CA 3.37Å; E173-K177 WeakPolarHBondContact O-CB 3.46Å; E173-K177 PolarHBondContact O-N 2.93Å; L174-K177 PolarHBondContact O-N 2.92Å; S175-K177 PolarHBondContact O-N 2.94Å; K177-R339 PolarHBondContact O-NH1 3.35Å; K177-R339 PolarHBondContact O-NH2 3.13Å
178	K	69.5	Low	75.4	Confident	119 Å²	119	61.7 Å²	61.7	52%	0.517	31%	0.313	S	S	.	.	H	α-helix	trans	-94.8	-3.8	-178	-66.5	-170.5	177.6	-170.7	0	114.5	L174 S175 V180 S353	L174-K178 HydrophobicContact CD2-CD 3.76Å; L174-K178 HydrophobicContact CD2-CG 4.48Å; L174-K178 HydrophobicContact CG-CD 4.04Å; L174-K178 HydrophobicContact CG-CG 4.33Å; L174-K178 VanDerWaalsContact O-CB 3.25Å; L174-K178 WeakPolarHBondContact O-CB 3.43Å; L174-K178 WeakPolarHBondContact O-CG 3.38Å; L174-K178 PolarHBondContact O-N 3.22Å; S175-K178 PolarHBondContact O-N 2.69Å; K178-V180 VanDerWaalsContact C-N 3.28Å; K178-V180 HydrophobicContact CB-CG2 4.02Å; K178-V180 PolarHBondContact O-N 3.44Å; K178-S353 WeakPolarHBondContact O-CB 3.4Å
179	A	85.1	Confident	77.7	Confident	4 Å²	4	60.4 Å²	60.4	3%	0.033	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	36	178.4	0	0	0	0	0	114	S175 R202 F350 S353	S175-A179 PolarHBondContact O-N 3.03Å; A179-R202 PolarHBondContact O-NH2 2.91Å; A179-F350 HydrophobicContact CB-CB 4.09Å; A179-S353 VanDerWaalsContact O-CB 3.31Å; A179-S353 WeakPolarHBondContact O-CB 3.38Å
180	V	89.9	Confident	79.8	Confident	34 Å²	34	60.2 Å²	60.2	21%	0.206	30%	0.302	C	S	.	.	S	Bend	trans	-122.1	153.5	176.9	-66.5	0	0	0	0	110.1	S175 K178 K189 R197	S175-V180 WeakPolarHBondContact CB-O 3.4Å; S175-V180 PolarHBondContact O-N 3.27Å; K178-V180 VanDerWaalsContact C-N 3.28Å; K178-V180 HydrophobicContact CB-CG2 4.02Å; K178-V180 PolarHBondContact O-N 3.44Å; V180-K189 HydrophobicContact CG1-CD 4.26Å; V180-K189 HydrophobicContact CG1-CG 4.29Å; V180-R197 WeakPolarHBondContact O-CB 3.33Å
181	P	91.3	Very high	81.6	Confident	8 Å²	8	54.4 Å²	54.4	5%	0.052	28%	0.275	C	S	.	.			trans	-57.1	144.5	-176.4	-12.6	20	0	0	0	112.5	D184 K189 L196 R197	P181-D184 HydrophobicContact CB-CB 4.02Å; P181-D184 HydrophobicContact CG-CB 4.29Å; P181-K189 WeakPolarHBondContact CD-O 3.03Å; P181-K189 WeakPolarHBondContact CG-O 3.36Å; P181-L196 WeakPolarHBondContact CA-O 3.4Å; P181-R197 VanDerWaalsContact CG-O 3.31Å; P181-R197 WeakPolarHBondContact CG-O 3.28Å
182	F	88.1	Confident	83.6	Confident	46 Å²	46	51.8 Å²	51.8	20%	0.202	27%	0.269	C	S	.	.	S	Bend	trans	-74.8	-34.9	171.6	176	-95.5	0	0	0	112.5	K171 I172 S175 L196	K171-F182 HydrophobicContact CB-CD2 4.44Å; K171-F182 HydrophobicContact CB-CE2 3.77Å; K171-F182 HydrophobicContact CD-CD2 4.26Å; K171-F182 HydrophobicContact CD-CE2 3.66Å; K171-F182 HydrophobicContact CD-CZ 4.18Å; K171-F182 HydrophobicContact CG-CD2 3.86Å; K171-F182 HydrophobicContact CG-CE2 3.48Å; K171-F182 VanDerWaalsContact CG-CE2 3.48Å; K171-F182 HydrophobicContact CG-CZ 4.45Å; I172-F182 HydrophobicContact CG1-CD2 4.09Å; I172-F182 HydrophobicContact CG1-CE2 3.8Å; I172-F182 HydrophobicContact CG1-CZ 4.41Å; S175-F182 WeakPolarHBondContact OG-CA 3.41Å; F182-L196 HydrophobicContact CB-CB 3.95Å; F182-L196 HydrophobicContact CB-CD1 4.23Å; F182-L196 HydrophobicContact CD1-CD1 4.3Å; F182-L196 HydrophobicContact CG-CD1 4.41Å; F182-L196 PolarHBondContact N-O 2.85Å; F182-L196 VanDerWaalsContact N-O 3.08Å
183	K	88.8	Confident	85.5	Confident	91 Å²	91	53.6 Å²	53.6	40%	0.396	28%	0.275	S	S	.	.	S	Bend	trans	-105.1	101.8	174.3	-66.3	-163.4	-176.7	177.4	0	108.8	S191 F193	K183-S191 VanDerWaalsContact O-CB 3.24Å; K183-S191 WeakPolarHBondContact O-CB 3.35Å; K183-S191 PolarHBondContact O-OG 3.4Å; K183-F193 HydrophobicContact CB-CB 4.16Å; K183-F193 HydrophobicContact CD-CB 3.91Å; K183-F193 HydrophobicContact CD-CD1 4.23Å; K183-F193 HydrophobicContact CD-CD2 3.75Å; K183-F193 HydrophobicContact CD-CE2 4.35Å; K183-F193 HydrophobicContact CD-CG 3.69Å; K183-F193 HydrophobicContact CG-CB 4.44Å; K183-F193 VanDerWaalsContact NZ-CD2 3.33Å
184	D	93.2	Very high	87.1	Confident	30 Å²	30	51.1 Å²	51.1	16%	0.16	27%	0.266	C	S	.	.			trans	-161.4	100.9	-176.9	170.8	1.6	0	0	0	104.4	P181 S187 D188 K189	P181-D184 HydrophobicContact CB-CB 4.02Å; P181-D184 HydrophobicContact CG-CB 4.29Å; D184-S187 WeakPolarHBondContact OD1-CA 3.43Å; D184-S187 PolarHBondContact OD1-N 3.26Å; D184-S187 WeakPolarHBondContact OD2-CA 3.46Å; D184-D188 PolarHBondContact OD1-N 3.39Å; D184-K189 VanDerWaalsContact OD2-CA 3.27Å; D184-K189 WeakPolarHBondContact OD2-CA 3.39Å; D184-K189 PolarHBondContact OD2-N 3.49Å
185	V	95.7	Very high	88.4	Confident	107 Å²	107	48.1 Å²	48.1	65%	0.648	25%	0.251	S	S	*	.	S	Bend	trans	-82.9	-38.5	-169.6	169.3	0	0	0	0	110.6	D208	V185-D208 VanDerWaalsContact CB-O 3.31Å; V185-D208 WeakPolarHBondContact CB-O 3.46Å; V185-D208 PolarHBondContact N-OD1 3.41Å
186	D	96.6	Very high	90	Very high	24 Å²	24	49.3 Å²	49.3	13%	0.128	26%	0.257	C	S	.	.	S	Bend	trans	-95.4	-5.3	-178.1	64.5	31.6	0	0	0	114.2	D188 S209 D210 K211	D186-D188 WeakPolarHBondContact OD1-CB 3.38Å; D186-D188 PolarHBondContact OD1-N 3.44Å; D186-S209 PolarHBondContact OD2-N 3.49Å; D186-S209 VanDerWaalsContact OD2-N 3.09Å; D186-D210 PolarHBondContact OD2-N 3.29Å; D186-K211 HydrophobicContact CB-CB 3.99Å; D186-K211 WeakPolarHBondContact O-CB 3.24Å; D186-K211 PolarHBondContact OD2-N 3.11Å
187	S	96.3	Very high	91.6	Very high	93 Å²	93	47.5 Å²	47.5	65%	0.65	25%	0.246	S	C	*	.			trans	69	34.1	173.3	-52.4	0	0	0	0	114.7	D184	D184-S187 WeakPolarHBondContact OD1-CA 3.43Å; D184-S187 PolarHBondContact OD1-N 3.26Å; D184-S187 WeakPolarHBondContact OD2-CA 3.46Å
188	D	97.2	Very high	92.9	Very high	11 Å²	11	40.8 Å²	40.8	6%	0.059	22%	0.217	C	C	.	.	S	Bend	trans	-88	-3.7	176.5	75.9	0	0	0	0	114.5	D184 D186 Y190 K211 Y214 S355	D184-D188 PolarHBondContact OD1-N 3.39Å; D186-D188 WeakPolarHBondContact OD1-CB 3.38Å; D186-D188 PolarHBondContact OD1-N 3.44Å; D188-Y190 WeakPolarHBondContact O-CD2 3.42Å; D188-Y190 WeakPolarHBondContact OD1-CA 3.26Å; D188-Y190 WeakPolarHBondContact OD1-CB 3.28Å; D188-Y190 PolarHBondContact OD1-N 3.36Å; D188-K211 HydrophobicContact CB-CB 4.32Å; D188-Y214 HydrophobicContact CB-CD1 4.26Å; D188-Y214 VanDerWaalsContact OD2-CB 3.3Å; D188-Y214 WeakPolarHBondContact OD2-CB 3.15Å; D188-S355 PolarHBondContact O-OG 2.86Å
189	K	97.8	Very high	94.3	Very high	57 Å²	57	37 Å²	37	25%	0.248	20%	0.2	C	C	.	.	S	Bend	trans	76.9	9.6	-178.6	-42.4	177.8	-162.7	172.9	0	115.3	V180 P181 D184 R202 E352 S353 L354	V180-K189 HydrophobicContact CG1-CD 4.26Å; V180-K189 HydrophobicContact CG1-CG 4.29Å; P181-K189 WeakPolarHBondContact CD-O 3.03Å; P181-K189 WeakPolarHBondContact CG-O 3.36Å; D184-K189 VanDerWaalsContact OD2-CA 3.27Å; D184-K189 WeakPolarHBondContact OD2-CA 3.39Å; D184-K189 PolarHBondContact OD2-N 3.49Å; K189-R202 VanDerWaalsContact O-CD 3.24Å; K189-R202 WeakPolarHBondContact O-CD 3.33Å; K189-R202 PolarHBondContact O-NE 3.08Å; K189-E352 PolarHBondContact NZ-O 3.38Å; K189-S353 WeakPolarHBondContact CD-O 3.29Å; K189-L354 PolarHBondContact NZ-O 3.44Å
190	Y	98.6	Very high	94.9	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	20%	0.203	C	C	.	.			trans	-103.2	173.5	169.3	-61.5	-87.1	0	0	0	109.7	D188 R202 G203 Y214 P215 Q335	D188-Y190 WeakPolarHBondContact O-CD2 3.42Å; D188-Y190 WeakPolarHBondContact OD1-CA 3.26Å; D188-Y190 WeakPolarHBondContact OD1-CB 3.28Å; D188-Y190 PolarHBondContact OD1-N 3.36Å; Y190-R202 HydrophobicContact CD1-CB 3.7Å; Y190-R202 HydrophobicContact CE1-CB 3.84Å; Y190-G203 VanDerWaalsContact CD1-O 3.27Å; Y190-G203 WeakPolarHBondContact CD1-O 3.44Å; Y190-Y214 HydrophobicContact CD2-CD2 4.47Å; Y190-Y214 HydrophobicContact CD2-CG 4.18Å; Y190-Y214 AromaticContact CE2-CD2 3.79Å; Y190-Y214 HydrophobicContact CE2-CD2 3.79Å; Y190-Y214 AromaticContact CE2-CG 3.95Å; Y190-Y214 HydrophobicContact CE2-CG 3.95Å; Y190-P215 HydrophobicContact CD1-CB 4.34Å; Y190-P215 HydrophobicContact CD1-CG 3.9Å; Y190-P215 HydrophobicContact CE1-CB 3.86Å; Y190-P215 HydrophobicContact CE1-CG 3.94Å; Y190-P215 HydrophobicContact CG-CG 4.46Å; Y190-P215 PolarHBondContact OH-O 3.44Å; Y190-P215 VanDerWaalsContact OH-O 3.04Å; Y190-Q335 HydrophobicContact CE1-CG 4.33Å; Y190-Q335 PolarHBondContact OH-NE2 2.96Å
191	S	97.9	Very high	95.4	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.007	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-156.3	147.5	-173.7	-170.1	0	0	0	0	112.8	K183 F193 D205	K183-S191 VanDerWaalsContact O-CB 3.24Å; K183-S191 WeakPolarHBondContact O-CB 3.35Å; K183-S191 PolarHBondContact O-OG 3.4Å; S191-F193 VanDerWaalsContact C-N 3.31Å; S191-F193 PolarHBondContact OG-N 3.43Å; S191-D205 PolarHBondContact O-N 3.36Å
192	V	97.7	Very high	95.7	Very high	61 Å²	61	36.2 Å²	36.2	37%	0.37	19%	0.192	S	C	.	.	S	Bend	trans	-78.4	-13.8	166.8	-65.9	0	0	0	0	113.5	Y199 R204 D208	V192-Y199 WeakPolarHBondContact O-CD1 3.41Å; V192-Y199 WeakPolarHBondContact O-CE1 3.5Å; V192-R204 PolarHBondContact O-NE 3.07Å; V192-R204 PolarHBondContact O-NH2 3.34Å; V192-D208 HydrophobicContact CG1-CB 3.79Å
193	F	95.9	Very high	96.2	Very high	84 Å²	84	34 Å²	34	37%	0.368	18%	0.182	S	C	.	.	S	Bend	trans	-99.6	144.1	-176.4	-140.8	-105.2	0	0	0	111.6	K183 S191 G198 Y199	K183-F193 HydrophobicContact CB-CB 4.16Å; K183-F193 HydrophobicContact CD-CB 3.91Å; K183-F193 HydrophobicContact CD-CD1 4.23Å; K183-F193 HydrophobicContact CD-CD2 3.75Å; K183-F193 HydrophobicContact CD-CE2 4.35Å; K183-F193 HydrophobicContact CD-CG 3.69Å; K183-F193 HydrophobicContact CG-CB 4.44Å; K183-F193 VanDerWaalsContact NZ-CD2 3.33Å; S191-F193 VanDerWaalsContact C-N 3.31Å; S191-F193 PolarHBondContact OG-N 3.43Å; F193-G198 CarbonylContact O-C 3.53Å; F193-G198 VanDerWaalsContact O-CA 3.22Å; F193-G198 WeakPolarHBondContact O-CA 3.32Å; F193-Y199 VanDerWaalsContact C-CE1 3.45Å; F193-Y199 VanDerWaalsContact O-CD1 3.24Å; F193-Y199 WeakPolarHBondContact O-CD1 3.38Å; F193-Y199 PolarHBondContact O-N 2.98Å
194	P	96.6	Very high	96.7	Very high	30 Å²	30	33.2 Å²	33.2	20%	0.195	18%	0.177	C	C	.	.	S	Bend	trans	-69.7	-58.3	-172.5	17.3	-25.3	0	0	0	113.7	G198 Y199 H200	P194-G198 CarbonylContact O-C 3.49Å; P194-G198 WeakPolarHBondContact O-CA 3.45Å; P194-Y199 VanDerWaalsContact CA-CD1 3.46Å; P194-Y199 HydrophobicContact CB-CD1 4.24Å; P194-Y199 HydrophobicContact CB-CD2 4.46Å; P194-Y199 HydrophobicContact CB-CE1 3.64Å; P194-Y199 HydrophobicContact CB-CE2 3.87Å; P194-Y199 VanDerWaalsContact CB-CZ 3.41Å; P194-Y199 VanDerWaalsContact CD-CE1 3.42Å; P194-Y199 HydrophobicContact CG-CE1 4.01Å; P194-Y199 PolarHBondContact O-N 3.48Å; P194-Y199 VanDerWaalsContact O-N 3.16Å; P194-H200 VanDerWaalsContact CB-NE2 3.31Å; P194-H200 WeakPolarHBondContact CB-NE2 3.3Å; P194-H200 WeakPolarHBondContact O-CB 3.14Å; P194-H200 PolarHBondContact O-N 3.31Å
195	T	91.8	Very high	97	Very high	15 Å²	15	31.9 Å²	31.9	9%	0.092	17%	0.17	C	C	.	.	S	Bend	trans	-93.8	-170.7	-166.9	71.1	0	0	0	0	111.6	R197 G198 T293 D294	T195-R197 VanDerWaalsContact C-N 3.31Å; T195-R197 PolarHBondContact O-N 3.39Å; T195-G198 PolarHBondContact O-N 3.21Å; T195-G198 VanDerWaalsContact O-N 3.13Å; T195-T293 WeakPolarHBondContact CB-OG1 3.36Å; T195-T293 WeakPolarHBondContact CG2-OG1 3.08Å; T195-T293 WeakPolarHBondContact OG1-CB 3.42Å; T195-T293 PolarHBondContact OG1-OG1 3.04Å; T195-D294 WeakPolarHBondContact CA-OD1 3.37Å; T195-D294 VanDerWaalsContact CB-OD1 3.3Å; T195-D294 WeakPolarHBondContact CB-OD1 3.48Å; T195-D294 WeakPolarHBondContact CG2-OD2 3.29Å
196	L	91.4	Very high	97.1	Very high	35 Å²	35	29.3 Å²	29.3	18%	0.183	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	47.6	-178.5	-59.7	171.7	0	0	0	111.8	P181 F182 G198 T293 D294	P181-L196 WeakPolarHBondContact CA-O 3.4Å; F182-L196 HydrophobicContact CB-CB 3.95Å; F182-L196 HydrophobicContact CB-CD1 4.23Å; F182-L196 HydrophobicContact CD1-CD1 4.3Å; F182-L196 HydrophobicContact CG-CD1 4.41Å; F182-L196 PolarHBondContact N-O 2.85Å; F182-L196 VanDerWaalsContact N-O 3.08Å; L196-G198 VanDerWaalsContact C-N 3.29Å; L196-G198 PolarHBondContact O-N 3.49Å; L196-T293 WeakPolarHBondContact CA-O 3.48Å; L196-T293 HydrophobicContact CD2-CG2 4.14Å; L196-T293 HydrophobicContact CG-CG2 4.38Å; L196-T293 PolarHBondContact N-O 3.34Å; L196-D294 PolarHBondContact N-OD1 3.07Å
197	R	95.1	Very high	97.2	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.015	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	18.7	-177.8	-56.3	-63.3	-176.4	156.8	-5.2	115.4	V180 P181 T195 E295 S338	V180-R197 WeakPolarHBondContact O-CB 3.33Å; P181-R197 VanDerWaalsContact CG-O 3.31Å; P181-R197 WeakPolarHBondContact CG-O 3.28Å; T195-R197 VanDerWaalsContact C-N 3.31Å; T195-R197 PolarHBondContact O-N 3.39Å; R197-E295 IonicContact CZ-OE1 2.96Å; R197-E295 VanDerWaalsContact CZ-OE1 3.25Å; R197-E295 IonicContact CZ-OE2 2.7Å; R197-E295 IonicContact NE-OE1 2.71Å; R197-E295 PolarHBondContact NE-OE1 2.78Å; R197-E295 IonicContact NE-OE2 3.52Å; R197-E295 IonicContact NH2-OE1 3.96Å; R197-E295 PolarHBondContact NH2-OE1 2.89Å; R197-E295 IonicContact NH2-OE2 2.78Å; R197-E295 PolarHBondContact NH2-OE2 3.5Å; R197-S338 PolarHBondContact NH1-O 3.41Å; R197-S338 PolarHBondContact NH2-O 3.43Å
198	G	96.5	Very high	97.2	Very high	2 Å²	2	27 Å²	27	2%	0.021	14%	0.136	C	C	.	.	S	Bend	trans	-83.5	-143.7	176.5	0	0	0	0	0	115	F193 P194 T195 L196 H200 W201 R202	F193-G198 CarbonylContact O-C 3.53Å; F193-G198 VanDerWaalsContact O-CA 3.22Å; F193-G198 WeakPolarHBondContact O-CA 3.32Å; P194-G198 CarbonylContact O-C 3.49Å; P194-G198 WeakPolarHBondContact O-CA 3.45Å; T195-G198 PolarHBondContact O-N 3.21Å; T195-G198 VanDerWaalsContact O-N 3.13Å; L196-G198 VanDerWaalsContact C-N 3.29Å; L196-G198 PolarHBondContact O-N 3.49Å; G198-H200 PolarHBondContact O-N 2.98Å; G198-H200 VanDerWaalsContact O-N 3.14Å; G198-W201 WeakPolarHBondContact O-CA 3.46Å; G198-W201 WeakPolarHBondContact O-CB 3.06Å; G198-W201 PolarHBondContact O-N 3.46Å; G198-R202 PolarHBondContact O-N 2.87Å
199	Y	98.6	Very high	97.3	Very high	39 Å²	39	31 Å²	31	15%	0.153	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-10.7	-168.1	73.9	-106.9	0	0	0	115.9	V192 F193 P194 W201 R202 R204 F307 Y334	V192-Y199 WeakPolarHBondContact O-CD1 3.41Å; V192-Y199 WeakPolarHBondContact O-CE1 3.5Å; F193-Y199 VanDerWaalsContact C-CE1 3.45Å; F193-Y199 VanDerWaalsContact O-CD1 3.24Å; F193-Y199 WeakPolarHBondContact O-CD1 3.38Å; F193-Y199 PolarHBondContact O-N 2.98Å; P194-Y199 VanDerWaalsContact CA-CD1 3.46Å; P194-Y199 HydrophobicContact CB-CD1 4.24Å; P194-Y199 HydrophobicContact CB-CD2 4.46Å; P194-Y199 HydrophobicContact CB-CE1 3.64Å; P194-Y199 HydrophobicContact CB-CE2 3.87Å; P194-Y199 VanDerWaalsContact CB-CZ 3.41Å; P194-Y199 VanDerWaalsContact CD-CE1 3.42Å; P194-Y199 HydrophobicContact CG-CE1 4.01Å; P194-Y199 PolarHBondContact O-N 3.48Å; P194-Y199 VanDerWaalsContact O-N 3.16Å; Y199-W201 PolarHBondContact O-N 2.96Å; Y199-R202 CarbonylContact C-O 3.52Å; Y199-R202 VanDerWaalsContact C-O 3.24Å; Y199-R202 WeakPolarHBondContact CA-O 3.34Å; Y199-R204 HydrophobicContact CD1-CB 4.45Å; Y199-R204 HydrophobicContact CD1-CG 4.49Å; Y199-R204 HydrophobicContact CG-CB 4.12Å; Y199-F307 HydrophobicContact CD2-CZ 4.02Å; Y199-F307 HydrophobicContact CE2-CZ 4.3Å; Y199-F307 WeakPolarHBondContact O-CE1 3.22Å; Y199-Y334 PolarHBondContact O-OH 2.86Å
200	H	98.7	Very high	97.3	Very high	22 Å²	22	30.8 Å²	30.8	10%	0.102	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-30.1	164.7	-75.2	-177.7	0	0	0	111.4	P194 G198 D294 P299 Q300	P194-H200 VanDerWaalsContact CB-NE2 3.31Å; P194-H200 WeakPolarHBondContact CB-NE2 3.3Å; P194-H200 WeakPolarHBondContact O-CB 3.14Å; P194-H200 PolarHBondContact O-N 3.31Å; G198-H200 PolarHBondContact O-N 2.98Å; G198-H200 VanDerWaalsContact O-N 3.14Å; H200-D294 IonicContact CE1-OD2 3.33Å; H200-D294 IonicContact CG-OD2 3.03Å; H200-D294 IonicContact ND1-OD2 2.8Å; H200-D294 PolarHBondContact ND1-OD2 3.49Å; H200-P299 HydrophobicContact CB-CG 4.23Å; H200-P299 WeakPolarHBondContact O-CB 3.28Å; H200-P299 WeakPolarHBondContact O-CG 3.23Å; H200-Q300 HydrophobicContact CB-CB 4.29Å; H200-Q300 PolarHBondContact O-N 3.5Å
201	W	98.8	Very high	97.3	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.008	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-28	-174.3	-59.4	78.1	0	0	0	113.1	G198 Y199 A266 D294 N297 P299 Q335 S336	G198-W201 WeakPolarHBondContact O-CA 3.46Å; G198-W201 WeakPolarHBondContact O-CB 3.06Å; G198-W201 PolarHBondContact O-N 3.46Å; Y199-W201 PolarHBondContact O-N 2.96Å; W201-A266 HydrophobicContact CH2-CB 4.42Å; W201-A266 HydrophobicContact CZ3-CB 4.11Å; W201-D294 HydrophobicContact CZ2-CB 4.24Å; W201-D294 WeakPolarHBondContact CZ2-O 3.45Å; W201-D294 PolarHBondContact NE1-OD1 2.82Å; W201-N297 HydrophobicContact CH2-CB 3.67Å; W201-N297 HydrophobicContact CZ2-CB 4.08Å; W201-P299 HydrophobicContact CD2-CB 4.47Å; W201-P299 HydrophobicContact CD2-CG 3.7Å; W201-P299 HydrophobicContact CE3-CB 4.23Å; W201-P299 HydrophobicContact CE3-CG 3.87Å; W201-P299 HydrophobicContact CG-CG 4.05Å; W201-P299 HydrophobicContact CH2-CG 4.45Å; W201-P299 HydrophobicContact CZ2-CG 4.29Å; W201-P299 HydrophobicContact CZ3-CG 4.23Å; W201-Q335 CarbonylContact O-C 3.36Å; W201-S336 PolarHBondContact O-N 2.93Å
202	R	98.8	Very high	97.3	Very high	5 Å²	5	39.8 Å²	39.8	2%	0.019	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-144.3	168	-177.8	-50.4	-178.6	-166.7	-143.7	-1.2	110.5	A179 K189 Y190 G198 Y199 R204 Y334 Q335 S353	A179-R202 PolarHBondContact O-NH2 2.91Å; K189-R202 VanDerWaalsContact O-CD 3.24Å; K189-R202 WeakPolarHBondContact O-CD 3.33Å; K189-R202 PolarHBondContact O-NE 3.08Å; Y190-R202 HydrophobicContact CD1-CB 3.7Å; Y190-R202 HydrophobicContact CE1-CB 3.84Å; G198-R202 PolarHBondContact O-N 2.87Å; Y199-R202 CarbonylContact C-O 3.52Å; Y199-R202 VanDerWaalsContact C-O 3.24Å; Y199-R202 WeakPolarHBondContact CA-O 3.34Å; R202-R204 PolarHBondContact O-N 2.94Å; R202-Y334 CarbonylContact C-O 3.6Å; R202-Y334 VanDerWaalsContact CA-CE2 3.47Å; R202-Y334 WeakPolarHBondContact CA-O 3.39Å; R202-Y334 VanDerWaalsContact O-CE2 3.26Å; R202-Y334 WeakPolarHBondContact O-CE2 3.44Å; R202-Y334 PolarHBondContact O-OH 2.72Å; R202-Q335 HydrophobicContact CB-CG 4.3Å; R202-Q335 HydrophobicContact CG-CB 4.24Å; R202-Q335 HydrophobicContact CG-CG 4.07Å; R202-S353 PolarHBondContact NH1-O 2.87Å; R202-S353 PolarHBondContact NH2-O 3.46Å
203	G	98.8	Very high	97.4	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-48.8	139	170.3	0	0	0	0	0	112.8	Y190 D205 R332 Y334	Y190-G203 VanDerWaalsContact CD1-O 3.27Å; Y190-G203 WeakPolarHBondContact CD1-O 3.44Å; G203-D205 PolarHBondContact O-N 3.35Å; G203-R332 WeakPolarHBondContact CA-O 3.39Å; G203-R332 PolarHBondContact N-O 3.23Å; G203-Y334 PolarHBondContact N-O 2.86Å; G203-Y334 VanDerWaalsContact N-O 3.11Å
204	R	98.9	Very high	97.5	Very high	75 Å²	75	33.7 Å²	33.7	28%	0.283	18%	0.178	S	C	.	.	B	Isolated β-bridge	trans	-64.3	132.6	172.7	171.6	178.5	-102.2	167.1	-16.2	110.5	V192 Y199 R202 C206 R332 H575	V192-R204 PolarHBondContact O-NE 3.07Å; V192-R204 PolarHBondContact O-NH2 3.34Å; Y199-R204 HydrophobicContact CD1-CB 4.45Å; Y199-R204 HydrophobicContact CD1-CG 4.49Å; Y199-R204 HydrophobicContact CG-CB 4.12Å; R202-R204 PolarHBondContact O-N 2.94Å; R204-C206 PolarHBondContact O-N 3.38Å; R204-R332 WeakPolarHBondContact O-CD 3.49Å; R204-R332 PolarHBondContact O-NH1 3.34Å; R204-H575 WeakPolarHBondContact CB-OXT 3.33Å; R204-H575 WeakPolarHBondContact CD-OXT 3.35Å; R204-H575 PolarHBondContact NH1-O 3.04Å
205	D	98.8	Very high	97.6	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.011	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-66.7	126.2	170.7	-175.5	-0.6	0	0	0	110.5	S191 G203 N207 D208	S191-D205 PolarHBondContact O-N 3.36Å; G203-D205 PolarHBondContact O-N 3.35Å; D205-N207 VanDerWaalsContact OD1-C 3.23Å; D205-N207 PolarHBondContact OD1-N 2.95Å; D205-D208 WeakPolarHBondContact OD2-CA 3.3Å; D205-D208 VanDerWaalsContact OD2-CB 3.28Å; D205-D208 WeakPolarHBondContact OD2-CB 3.5Å; D205-D208 PolarHBondContact OD2-N 3.42Å; D205-D208 VanDerWaalsContact OD2-N 3.16Å
206	C	98.7	Very high	98	Very high	52 Å²	52	31.9 Å²	31.9	35%	0.351	17%	0.168	S	C	.	.	S	Bend	trans	-85.1	-14.6	178.1	58.1	0	0	0	0	112.8	R204 V213 C230	R204-C206 PolarHBondContact O-N 3.38Å; C206-V213 WeakPolarHBondContact SG-CG1 3.05Å; C206-C230 HydrophobicContact CB-CB 3.69Å; C206-C230 WeakPolarHBondContact CB-SG 3.49Å; C206-C230 PolarHBondContact N-SG 2.69Å; C206-C230 WeakPolarHBondContact SG-CA 3.23Å; C206-C230 WeakPolarHBondContact SG-CB 3.38Å; C206-C230 CovalentContact SG-SG 2.05Å; C206-C230 PolarHBondContact SG-SG 3.44Å
207	N	98.3	Very high	98.3	Very high	47 Å²	47	31.7 Å²	31.7	25%	0.251	17%	0.165	S	C	.	.			trans	-153.8	82.5	176.4	-174.6	19	0	0	0	113	D205 S209 D210 V213 Q226	D205-N207 VanDerWaalsContact OD1-C 3.23Å; D205-N207 PolarHBondContact OD1-N 2.95Å; N207-S209 PolarHBondContact O-N 3.38Å; N207-D210 WeakPolarHBondContact ND2-CB 3.38Å; N207-D210 PolarHBondContact O-N 2.91Å; N207-D210 VanDerWaalsContact O-N 3.08Å; N207-V213 HydrophobicContact CB-CB 4.15Å; N207-V213 HydrophobicContact CB-CG1 3.77Å; N207-Q226 PolarHBondContact ND2-NE2 2.04Å
208	D	97.4	Very high	98.5	Very high	21 Å²	21	36.2 Å²	36.2	11%	0.112	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	45.2	177.8	-170	26	0	0	0	113	V185 V192 D205	V185-D208 VanDerWaalsContact CB-O 3.31Å; V185-D208 WeakPolarHBondContact CB-O 3.46Å; V185-D208 PolarHBondContact N-OD1 3.41Å; V192-D208 HydrophobicContact CG1-CB 3.79Å; D205-D208 WeakPolarHBondContact OD2-CA 3.3Å; D205-D208 VanDerWaalsContact OD2-CB 3.28Å; D205-D208 WeakPolarHBondContact OD2-CB 3.5Å; D205-D208 PolarHBondContact OD2-N 3.42Å; D205-D208 VanDerWaalsContact OD2-N 3.16Å
209	S	98.2	Very high	98.6	Very high	95 Å²	95	37.3 Å²	37.3	66%	0.664	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-149	-3.2	175.8	-68.6	0	0	0	0	111.3	D186 N207	D186-S209 PolarHBondContact OD2-N 3.49Å; D186-S209 VanDerWaalsContact OD2-N 3.09Å; N207-S209 PolarHBondContact O-N 3.38Å
210	D	98.2	Very high	98.6	Very high	53 Å²	53	40.8 Å²	40.8	28%	0.283	21%	0.209	S	C	.	.			trans	-137.2	100.3	177.5	-170.9	-19	0	0	0	110.3	D186 N207 T212 V213	D186-D210 PolarHBondContact OD2-N 3.29Å; N207-D210 WeakPolarHBondContact ND2-CB 3.38Å; N207-D210 PolarHBondContact O-N 2.91Å; N207-D210 VanDerWaalsContact O-N 3.08Å; D210-T212 PolarHBondContact O-N 3.17Å; D210-T212 WeakPolarHBondContact OD1-CB 3.39Å; D210-T212 PolarHBondContact OD1-N 2.97Å; D210-T212 PolarHBondContact OD1-OG1 3.02Å; D210-V213 HydrophobicContact CB-CB 4.38Å; D210-V213 HydrophobicContact CB-CG2 4.08Å; D210-V213 PolarHBondContact O-N 3.29Å
211	K	98.2	Very high	98.5	Very high	138 Å²	138	45.1 Å²	45.1	60%	0.6	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-7.2	178.5	70.8	178.4	-175.4	179.9	0	115.5	D186 D188 Y214	D186-K211 HydrophobicContact CB-CB 3.99Å; D186-K211 WeakPolarHBondContact O-CB 3.24Å; D186-K211 PolarHBondContact OD2-N 3.11Å; D188-K211 HydrophobicContact CB-CB 4.32Å; K211-Y214 WeakPolarHBondContact O-CD1 3.41Å; K211-Y214 VanDerWaalsContact O-CE1 3.27Å; K211-Y214 WeakPolarHBondContact O-CE1 3.49Å
212	T	98.4	Very high	98.5	Very high	54 Å²	54	48.7 Å²	48.7	33%	0.331	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	4.2	176.5	70.4	0	0	0	0	112.8	D210 R217	D210-T212 PolarHBondContact O-N 3.17Å; D210-T212 WeakPolarHBondContact OD1-CB 3.39Å; D210-T212 PolarHBondContact OD1-N 2.97Å; D210-T212 PolarHBondContact OD1-OG1 3.02Å; T212-R217 WeakPolarHBondContact O-CD 3.07Å; T212-R217 VanDerWaalsContact O-CZ 3.25Å; T212-R217 PolarHBondContact O-NE 3.18Å
213	V	98.8	Very high	98.5	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.012	25%	0.246	C	C	.	.			trans	-118.8	103.8	178.5	174.6	0	0	0	0	108.9	C206 N207 D210 D227 S228	C206-V213 WeakPolarHBondContact SG-CG1 3.05Å; N207-V213 HydrophobicContact CB-CB 4.15Å; N207-V213 HydrophobicContact CB-CG1 3.77Å; D210-V213 HydrophobicContact CB-CB 4.38Å; D210-V213 HydrophobicContact CB-CG2 4.08Å; D210-V213 PolarHBondContact O-N 3.29Å; V213-D227 WeakPolarHBondContact CG1-O 3.35Å; V213-S228 VanDerWaalsContact CA-O 3.3Å; V213-S228 WeakPolarHBondContact CA-O 3.43Å
214	Y	98.9	Very high	98.5	Very high	15 Å²	15	49.7 Å²	49.7	6%	0.059	25%	0.254	C	S	.	.			trans	-162	157.4	-176.8	54.7	-100.2	0	0	0	114	D188 Y190 K211 G216 R217 S228 N229 D361	D188-Y214 HydrophobicContact CB-CD1 4.26Å; D188-Y214 VanDerWaalsContact OD2-CB 3.3Å; D188-Y214 WeakPolarHBondContact OD2-CB 3.15Å; Y190-Y214 HydrophobicContact CD2-CD2 4.47Å; Y190-Y214 HydrophobicContact CD2-CG 4.18Å; Y190-Y214 AromaticContact CE2-CD2 3.79Å; Y190-Y214 HydrophobicContact CE2-CD2 3.79Å; Y190-Y214 AromaticContact CE2-CG 3.95Å; Y190-Y214 HydrophobicContact CE2-CG 3.95Å; K211-Y214 WeakPolarHBondContact O-CD1 3.41Å; K211-Y214 VanDerWaalsContact O-CE1 3.27Å; K211-Y214 WeakPolarHBondContact O-CE1 3.49Å; Y214-G216 PolarHBondContact O-N 2.93Å; Y214-R217 HydrophobicContact CD2-CB 4.08Å; Y214-R217 HydrophobicContact CE2-CB 3.76Å; Y214-R217 HydrophobicContact CE2-CG 4.15Å; Y214-R217 WeakPolarHBondContact O-CB 3.39Å; Y214-R217 PolarHBondContact O-N 2.86Å; Y214-R217 PolarHBondContact OH-NH1 2.86Å; Y214-S228 PolarHBondContact N-O 3Å; Y214-S228 VanDerWaalsContact N-O 3.08Å; Y214-N229 CarbonylContact O-C 3.53Å; Y214-N229 VanDerWaalsContact O-CA 3.32Å; Y214-N229 WeakPolarHBondContact O-CA 3.05Å; Y214-D361 VanDerWaalsContact CE2-OD1 3.29Å; Y214-D361 WeakPolarHBondContact CE2-OD1 3.1Å; Y214-D361 PolarHBondContact OH-OD1 2.98Å
215	P	98.9	Very high	98.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	125.9	177.3	-29.1	35.8	0	0	0	115.1	Y190 N229 C230 R332	Y190-P215 HydrophobicContact CD1-CB 4.34Å; Y190-P215 HydrophobicContact CD1-CG 3.9Å; Y190-P215 HydrophobicContact CE1-CB 3.86Å; Y190-P215 HydrophobicContact CE1-CG 3.94Å; Y190-P215 HydrophobicContact CG-CG 4.46Å; Y190-P215 PolarHBondContact OH-O 3.44Å; Y190-P215 VanDerWaalsContact OH-O 3.04Å; P215-N229 VanDerWaalsContact CA-O 3.25Å; P215-N229 WeakPolarHBondContact CA-O 3.46Å; P215-C230 HydrophobicContact CG-CB 4Å; P215-R332 HydrophobicContact CB-CB 4.19Å; P215-R332 WeakPolarHBondContact CB-O 3.35Å; P215-R332 HydrophobicContact CG-CB 4.09Å
216	G	98.7	Very high	98.4	Very high	6 Å²	6	57.8 Å²	57.8	6%	0.062	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	5.9	172	0	0	0	0	0	116.2	Y214 D333 R356 Q362	Y214-G216 PolarHBondContact O-N 2.93Å; G216-D333 WeakPolarHBondContact CA-OD2 3.48Å; G216-R356 PolarHBondContact O-NH2 3.44Å; G216-Q362 PolarHBondContact O-N 3.34Å
217	R	98.8	Very high	98.4	Very high	32 Å²	32	56.3 Å²	56.3	12%	0.121	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-63.2	151.1	166.4	-163.8	-174.8	170.2	88.1	-8.7	111.1	T212 Y214 N229	T212-R217 WeakPolarHBondContact O-CD 3.07Å; T212-R217 VanDerWaalsContact O-CZ 3.25Å; T212-R217 PolarHBondContact O-NE 3.18Å; Y214-R217 HydrophobicContact CD2-CB 4.08Å; Y214-R217 HydrophobicContact CE2-CB 3.76Å; Y214-R217 HydrophobicContact CE2-CG 4.15Å; Y214-R217 WeakPolarHBondContact O-CB 3.39Å; Y214-R217 PolarHBondContact O-N 2.86Å; Y214-R217 PolarHBondContact OH-NH1 2.86Å; R217-N229 HydrophobicContact CB-CB 4.12Å; R217-N229 WeakPolarHBondContact O-CB 3.02Å
218	R	98.8	Very high	98.5	Very high	99 Å²	99	54.2 Å²	54.2	37%	0.374	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-69.1	136.5	163	-72.3	-170.7	-86.2	-95.2	5.2	109.4	D220 A359 L360 D361 Q362	R218-D220 PolarHBondContact O-N 3.32Å; R218-A359 PolarHBondContact NH2-O 3.41Å; R218-L360 VanDerWaalsContact CB-O 3.23Å; R218-L360 WeakPolarHBondContact CB-O 3.09Å; R218-L360 WeakPolarHBondContact CG-O 3.44Å; R218-L360 PolarHBondContact N-O 2.95Å; R218-D361 PolarHBondContact NH1-O 2.93Å; R218-Q362 HydrophobicContact CG-CG 4.31Å
219	P	98.5	Very high	98.5	Very high	25 Å²	25	53.6 Å²	53.6	16%	0.162	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-62.7	133.3	-173.6	26.7	-35.7	0	0	0	111.8	N221 W222 D223 S228 E245	P219-N221 PolarHBondContact O-N 3.31Å; P219-W222 HydrophobicContact CG-CE3 3.95Å; P219-W222 HydrophobicContact CG-CZ3 4.25Å; P219-D223 VanDerWaalsContact CA-OD1 3.24Å; P219-D223 WeakPolarHBondContact CA-OD1 3.49Å; P219-D223 HydrophobicContact CB-CB 4.39Å; P219-D223 WeakPolarHBondContact CB-OD1 3.49Å; P219-S228 WeakPolarHBondContact CA-OG 3.33Å; P219-E245 HydrophobicContact CB-CG 3.58Å; P219-E245 HydrophobicContact CG-CG 3.63Å
220	D	98.3	Very high	98.6	Very high	111 Å²	111	49 Å²	49	59%	0.594	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-74.7	113.8	176.2	-175.6	35.1	0	0	0	109.9	R218 W222 D223 S228	R218-D220 PolarHBondContact O-N 3.32Å; D220-W222 PolarHBondContact O-N 3.29Å; D220-W222 VanDerWaalsContact O-N 3.11Å; D220-D223 PolarHBondContact N-OD1 3.28Å; D220-D223 PolarHBondContact O-N 2.87Å; D220-S228 PolarHBondContact N-OG 2.95Å
221	N	98.2	Very high	98.6	Very high	113 Å²	113	46.6 Å²	46.6	60%	0.604	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	48.2	40.2	-176.7	-169.4	39.3	0	0	0	113.3	P219 D223 V224	P219-N221 PolarHBondContact O-N 3.31Å; N221-D223 PolarHBondContact O-N 3.42Å; N221-V224 VanDerWaalsContact O-CG2 3.31Å; N221-V224 WeakPolarHBondContact O-CG2 3.36Å
222	W	98.7	Very high	98.6	Very high	77 Å²	77	40.5 Å²	40.5	29%	0.292	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	58	31.5	-176.7	-56.8	106.3	0	0	0	114.6	P219 D220 V224 P243 E245 K246 E250	P219-W222 HydrophobicContact CG-CE3 3.95Å; P219-W222 HydrophobicContact CG-CZ3 4.25Å; D220-W222 PolarHBondContact O-N 3.29Å; D220-W222 VanDerWaalsContact O-N 3.11Å; W222-V224 PolarHBondContact O-N 2.9Å; W222-V224 VanDerWaalsContact O-N 3.15Å; W222-P243 HydrophobicContact CB-CB 3.74Å; W222-P243 HydrophobicContact CB-CG 4.07Å; W222-P243 WeakPolarHBondContact O-CB 3.16Å; W222-E245 HydrophobicContact CE3-CG 4.29Å; W222-K246 HydrophobicContact CB-CB 4.02Å; W222-K246 HydrophobicContact CD2-CB 3.58Å; W222-K246 HydrophobicContact CD2-CD 4.31Å; W222-K246 HydrophobicContact CD2-CG 3.85Å; W222-K246 VanDerWaalsContact CE3-CA 3.4Å; W222-K246 HydrophobicContact CE3-CB 3.75Å; W222-K246 HydrophobicContact CE3-CG 4.19Å; W222-K246 HydrophobicContact CG-CB 3.72Å; W222-K246 HydrophobicContact CG-CD 4.31Å; W222-K246 HydrophobicContact CG-CG 4.22Å; W222-K246 HydrophobicContact CH2-CG 4.49Å; W222-K246 HydrophobicContact CZ2-CG 4.18Å; W222-K246 HydrophobicContact CZ3-CB 4.41Å; W222-K246 HydrophobicContact CZ3-CG 4.49Å; W222-E250 HydrophobicContact CH2-CB 3.6Å; W222-E250 HydrophobicContact CH2-CG 3.61Å; W222-E250 HydrophobicContact CZ2-CB 4.39Å; W222-E250 HydrophobicContact CZ2-CG 4.12Å; W222-E250 WeakPolarHBondContact CZ2-OE1 3.22Å; W222-E250 HydrophobicContact CZ3-CB 3.9Å; W222-E250 HydrophobicContact CZ3-CG 4.42Å
223	D	98.6	Very high	98.6	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	54.6	37.5	170.8	-70.2	11.6	0	0	0	113.5	P219 D220 N221 H225 Q226 S228 W234 G235 E245	P219-D223 VanDerWaalsContact CA-OD1 3.24Å; P219-D223 WeakPolarHBondContact CA-OD1 3.49Å; P219-D223 HydrophobicContact CB-CB 4.39Å; P219-D223 WeakPolarHBondContact CB-OD1 3.49Å; D220-D223 PolarHBondContact N-OD1 3.28Å; D220-D223 PolarHBondContact O-N 2.87Å; N221-D223 PolarHBondContact O-N 3.42Å; D223-H225 VanDerWaalsContact C-N 3.25Å; D223-H225 PolarHBondContact O-N 3.18Å; D223-Q226 VanDerWaalsContact CA-O 3.27Å; D223-Q226 WeakPolarHBondContact CA-O 3.26Å; D223-Q226 WeakPolarHBondContact CB-O 3.47Å; D223-Q226 VanDerWaalsContact CG-O 3.31Å; D223-S228 WeakPolarHBondContact OD1-CB 3.25Å; D223-S228 PolarHBondContact OD1-OG 3.06Å; D223-S228 PolarHBondContact OD2-N 3.45Å; D223-S228 PolarHBondContact OD2-OG 2.77Å; D223-W234 HydrophobicContact CB-CB 4.02Å; D223-W234 WeakPolarHBondContact O-CA 3.35Å; D223-W234 WeakPolarHBondContact O-CB 3.11Å; D223-G235 PolarHBondContact O-N 2.04Å; D223-E245 HydrophobicContact CB-CB 4.32Å
224	V	98.5	Very high	98.6	Very high	26 Å²	26	43.8 Å²	43.8	16%	0.158	21%	0.207	C	C	.	.	S	Bend	trans	-59.4	-35.2	-177.8	167.9	0	0	0	0	112.8	N221 W222 I236 P243	N221-V224 VanDerWaalsContact O-CG2 3.31Å; N221-V224 WeakPolarHBondContact O-CG2 3.36Å; W222-V224 PolarHBondContact O-N 2.9Å; W222-V224 VanDerWaalsContact O-N 3.15Å; V224-I236 HydrophobicContact CG1-CD1 3.65Å; V224-I236 HydrophobicContact CG1-CG1 3.99Å; V224-I236 HydrophobicContact CG2-CG1 4.44Å; V224-P243 HydrophobicContact CG2-CB 3.98Å; V224-P243 HydrophobicContact CG2-CG 3.62Å
225	H	97.8	Very high	98.6	Very high	162 Å²	162	43.7 Å²	43.7	75%	0.75	21%	0.21	S	C	*	.	S	Bend	trans	-117.3	-22.6	-173.8	-63.6	-53.2	0	0	0	114.2	D223	D223-H225 VanDerWaalsContact C-N 3.25Å; D223-H225 PolarHBondContact O-N 3.18Å
226	Q	98.2	Very high	98.6	Very high	84 Å²	84	47.5 Å²	47.5	39%	0.393	23%	0.229	S	C	.	.	S	Bend	trans	-152.1	139.8	-175.4	178.9	173.6	37.1	0	0	108.4	N207 D223 S228	N207-Q226 PolarHBondContact ND2-NE2 2.04Å; D223-Q226 VanDerWaalsContact CA-O 3.27Å; D223-Q226 WeakPolarHBondContact CA-O 3.26Å; D223-Q226 WeakPolarHBondContact CB-O 3.47Å; D223-Q226 VanDerWaalsContact CG-O 3.31Å; Q226-S228 PolarHBondContact O-N 2.77Å
227	D	98.8	Very high	98.6	Very high	21 Å²	21	48.1 Å²	48.1	11%	0.112	23%	0.231	C	C	.	.			trans	-69.5	101.9	165.9	178.7	2.9	0	0	0	108.6	V213 N229 C230 N231 G232 W234	V213-D227 WeakPolarHBondContact CG1-O 3.35Å; D227-N229 PolarHBondContact OD1-N 2.66Å; D227-N229 PolarHBondContact OD1-OD1 2.9Å; D227-C230 VanDerWaalsContact OD1-CA 3.23Å; D227-C230 WeakPolarHBondContact OD1-CA 3.41Å; D227-C230 PolarHBondContact OD1-N 3.35Å; D227-C230 VanDerWaalsContact OD2-CA 3.31Å; D227-C230 WeakPolarHBondContact OD2-CA 3.4Å; D227-N231 PolarHBondContact OD1-N 2.93Å; D227-N231 PolarHBondContact OD2-N 2.99Å; D227-G232 VanDerWaalsContact OD2-CA 3.26Å; D227-G232 WeakPolarHBondContact OD2-CA 3.29Å; D227-G232 PolarHBondContact OD2-N 3.04Å; D227-W234 HydrophobicContact CB-CB 3.95Å; D227-W234 HydrophobicContact CB-CG 3.96Å
228	S	98.8	Very high	98.6	Very high	4 Å²	4	51.7 Å²	51.7	3%	0.028	26%	0.259	C	S	.	.	S	Bend	trans	-91.7	-11.4	-175.1	73.2	0	0	0	0	112.7	V213 Y214 P219 D220 D223 Q226	V213-S228 VanDerWaalsContact CA-O 3.3Å; V213-S228 WeakPolarHBondContact CA-O 3.43Å; Y214-S228 PolarHBondContact N-O 3Å; Y214-S228 VanDerWaalsContact N-O 3.08Å; P219-S228 WeakPolarHBondContact CA-OG 3.33Å; D220-S228 PolarHBondContact N-OG 2.95Å; D223-S228 WeakPolarHBondContact OD1-CB 3.25Å; D223-S228 PolarHBondContact OD1-OG 3.06Å; D223-S228 PolarHBondContact OD2-N 3.45Å; D223-S228 PolarHBondContact OD2-OG 2.77Å; Q226-S228 PolarHBondContact O-N 2.77Å
229	N	98.8	Very high	98.5	Very high	7 Å²	7	53.9 Å²	53.9	4%	0.037	28%	0.278	C	S	.	.	S	Bend	trans	-118	6.7	-178.6	69.5	22.9	0	0	0	113.5	Y214 P215 R217 D227 N231 E245	Y214-N229 CarbonylContact O-C 3.53Å; Y214-N229 VanDerWaalsContact O-CA 3.32Å; Y214-N229 WeakPolarHBondContact O-CA 3.05Å; P215-N229 VanDerWaalsContact CA-O 3.25Å; P215-N229 WeakPolarHBondContact CA-O 3.46Å; R217-N229 HydrophobicContact CB-CB 4.12Å; R217-N229 WeakPolarHBondContact O-CB 3.02Å; D227-N229 PolarHBondContact OD1-N 2.66Å; D227-N229 PolarHBondContact OD1-OD1 2.9Å; N229-N231 PolarHBondContact O-N 3.08Å; N229-N231 VanDerWaalsContact OD1-CB 3.29Å; N229-N231 WeakPolarHBondContact OD1-CB 3.39Å; N229-N231 PolarHBondContact OD1-N 3.24Å; N229-N231 PolarHBondContact OD1-ND2 3.04Å; N229-N231 PolarHBondContact OD1-OD1 3.45Å; N229-E245 PolarHBondContact ND2-OE1 3.1Å
230	C	98.9	Very high	98.5	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.291	C	S	.	.	S	Bend	trans	57.3	24.6	176.2	-54.5	0	0	0	0	114.7	C206 P215 D227 G232 R332	C206-C230 HydrophobicContact CB-CB 3.69Å; C206-C230 WeakPolarHBondContact CB-SG 3.49Å; C206-C230 PolarHBondContact N-SG 2.69Å; C206-C230 WeakPolarHBondContact SG-CA 3.23Å; C206-C230 WeakPolarHBondContact SG-CB 3.38Å; C206-C230 CovalentContact SG-SG 2.05Å; C206-C230 PolarHBondContact SG-SG 3.44Å; P215-C230 HydrophobicContact CG-CB 4Å; D227-C230 VanDerWaalsContact OD1-CA 3.23Å; D227-C230 WeakPolarHBondContact OD1-CA 3.41Å; D227-C230 PolarHBondContact OD1-N 3.35Å; D227-C230 VanDerWaalsContact OD2-CA 3.31Å; D227-C230 WeakPolarHBondContact OD2-CA 3.4Å; C230-G232 VanDerWaalsContact C-N 3.31Å; C230-R332 WeakPolarHBondContact O-CD 3.35Å
231	N	98.8	Very high	98.4	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	29%	0.287	C	S	.	.	S	Bend	trans	-87.6	-1.8	179.6	77.9	5.3	0	0	0	112.5	D227 N229 I233 E245 H331 Q572	D227-N231 PolarHBondContact OD1-N 2.93Å; D227-N231 PolarHBondContact OD2-N 2.99Å; N229-N231 PolarHBondContact O-N 3.08Å; N229-N231 VanDerWaalsContact OD1-CB 3.29Å; N229-N231 WeakPolarHBondContact OD1-CB 3.39Å; N229-N231 PolarHBondContact OD1-N 3.24Å; N229-N231 PolarHBondContact OD1-ND2 3.04Å; N229-N231 PolarHBondContact OD1-OD1 3.45Å; N231-I233 VanDerWaalsContact C-N 3.32Å; N231-I233 PolarHBondContact O-N 3.32Å; N231-I233 WeakPolarHBondContact OD1-CA 3.33Å; N231-I233 VanDerWaalsContact OD1-CB 3.24Å; N231-I233 WeakPolarHBondContact OD1-CB 3.27Å; N231-I233 PolarHBondContact OD1-N 3.37Å; N231-I233 PolarHBondContact OD1-O 3.32Å; N231-E245 PolarHBondContact ND2-OE1 2.7Å; N231-E245 PolarHBondContact ND2-OE2 3.01Å; N231-H331 HydrophobicContact CB-CB 4.36Å; N231-Q572 WeakPolarHBondContact O-CB 3.48Å; N231-Q572 PolarHBondContact O-NE2 3.3Å
232	G	98.8	Very high	98.5	Very high	11 Å²	11	51.4 Å²	51.4	11%	0.113	27%	0.274	C	S	.	.	S	Bend	trans	80.6	1.2	180	0	0	0	0	0	115.4	D227 C230 F569 Q572	D227-G232 VanDerWaalsContact OD2-CA 3.26Å; D227-G232 WeakPolarHBondContact OD2-CA 3.29Å; D227-G232 PolarHBondContact OD2-N 3.04Å; C230-G232 VanDerWaalsContact C-N 3.31Å; G232-F569 WeakPolarHBondContact O-CD1 3.43Å; G232-Q572 WeakPolarHBondContact CA-O 3.27Å
233	I	98.9	Very high	98.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.267	C	S	.	.			trans	-107.9	111.6	-177	-55.4	169.3	0	0	0	108.6	N231 E245 F248 I565 F569	N231-I233 VanDerWaalsContact C-N 3.32Å; N231-I233 PolarHBondContact O-N 3.32Å; N231-I233 WeakPolarHBondContact OD1-CA 3.33Å; N231-I233 VanDerWaalsContact OD1-CB 3.24Å; N231-I233 WeakPolarHBondContact OD1-CB 3.27Å; N231-I233 PolarHBondContact OD1-N 3.37Å; N231-I233 PolarHBondContact OD1-O 3.32Å; I233-E245 VanDerWaalsContact CB-OE2 3.28Å; I233-E245 WeakPolarHBondContact CB-OE2 3.33Å; I233-E245 HydrophobicContact CG2-CB 4.27Å; I233-E245 VanDerWaalsContact CG2-OE2 3.31Å; I233-E245 WeakPolarHBondContact CG2-OE2 3.23Å; I233-F248 HydrophobicContact CG2-CD2 4.43Å; I233-I565 HydrophobicContact CD1-CD1 3.87Å; I233-I565 HydrophobicContact CD1-CG1 4.02Å; I233-I565 HydrophobicContact CD1-CG2 3.76Å; I233-I565 HydrophobicContact CG1-CG2 4.02Å; I233-F569 HydrophobicContact CB-CD2 4.46Å; I233-F569 HydrophobicContact CB-CE2 4.24Å; I233-F569 HydrophobicContact CB-CZ 4.45Å; I233-F569 HydrophobicContact CG1-CD2 4.12Å; I233-F569 HydrophobicContact CG1-CE2 4.35Å; I233-F569 HydrophobicContact CG2-CD2 4.31Å; I233-F569 HydrophobicContact CG2-CE2 3.69Å; I233-F569 HydrophobicContact CG2-CZ 3.99Å
234	W	98.8	Very high	98.5	Very high	125 Å²	125	50.3 Å²	50.3	47%	0.473	27%	0.273	S	S	.	.			trans	-158.5	171.8	-178	66.1	-77.7	0	0	0	110.9	D223 D227 F569	D223-W234 HydrophobicContact CB-CB 4.02Å; D223-W234 WeakPolarHBondContact O-CA 3.35Å; D223-W234 WeakPolarHBondContact O-CB 3.11Å; D227-W234 HydrophobicContact CB-CB 3.95Å; D227-W234 HydrophobicContact CB-CG 3.96Å; W234-F569 WeakPolarHBondContact O-CZ 3.45Å
235	G	98.7	Very high	98.5	Very high	12 Å²	12	49.1 Å²	49.1	12%	0.124	27%	0.265	C	S	.	.	S	Bend	trans	84.9	-171.2	-179.6	0	0	0	0	0	113.9	D223 P243 Y244	D223-G235 PolarHBondContact O-N 2.04Å; G235-P243 VanDerWaalsContact O-CA 3.32Å; G235-P243 WeakPolarHBondContact O-CA 3.28Å; G235-Y244 PolarHBondContact O-N 3.21Å
236	I	98.7	Very high	98.5	Very high	80 Å²	80	45 Å²	45	41%	0.41	25%	0.246	S	C	.	.	B	Isolated β-bridge	trans	-118.2	136.4	-174	-63.8	165.3	0	0	0	109.7	V224 P238 G241 Y244	V224-I236 HydrophobicContact CG1-CD1 3.65Å; V224-I236 HydrophobicContact CG1-CG1 3.99Å; V224-I236 HydrophobicContact CG2-CG1 4.44Å; I236-P238 WeakPolarHBondContact O-CD 3.43Å; I236-G241 WeakPolarHBondContact CG2-O 3.31Å; I236-Y244 WeakPolarHBondContact O-CE2 3.31Å
237	D	98.3	Very high	98.6	Very high	19 Å²	19	43.1 Å²	43.1	10%	0.102	24%	0.236	C	C	.	.			trans	-69.1	117.3	169.2	-172.2	-23.6	0	0	0	110.1	N239 D240 G241 I242 Y244 K247	D237-N239 PolarHBondContact O-N 3.48Å; D237-N239 VanDerWaalsContact O-N 3.15Å; D237-N239 VanDerWaalsContact OD1-CB 3.3Å; D237-N239 WeakPolarHBondContact OD1-CB 3.43Å; D237-N239 PolarHBondContact OD1-N 3.09Å; D237-N239 PolarHBondContact OD1-ND2 3.31Å; D237-D240 WeakPolarHBondContact CB-OD1 3.16Å; D237-D240 PolarHBondContact O-N 3.17Å; D237-G241 WeakPolarHBondContact O-CA 3.36Å; D237-G241 PolarHBondContact O-N 2.92Å; D237-I242 PolarHBondContact N-O 2.83Å; D237-Y244 VanDerWaalsContact CA-CZ 3.46Å; D237-Y244 HydrophobicContact CB-CD1 4.12Å; D237-Y244 HydrophobicContact CB-CE1 3.56Å; D237-Y244 HydrophobicContact CB-CE2 4.27Å; D237-K247 IonicContact OD2-NZ 3.56Å; D237-K247 PolarHBondContact OD2-NZ 3.49Å
238	P	97.8	Very high	98.6	Very high	108 Å²	108	42.3 Å²	42.3	70%	0.701	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-16.5	-177	28.7	-36	0	0	0	113.2	I236	I236-P238 WeakPolarHBondContact O-CD 3.43Å
239	N	97.7	Very high	98.6	Very high	144 Å²	144	42.4 Å²	42.4	77%	0.77	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-34	-177.1	-61	-60.3	0	0	0	113	D237	D237-N239 PolarHBondContact O-N 3.48Å; D237-N239 VanDerWaalsContact O-N 3.15Å; D237-N239 VanDerWaalsContact OD1-CB 3.3Å; D237-N239 WeakPolarHBondContact OD1-CB 3.43Å; D237-N239 PolarHBondContact OD1-N 3.09Å; D237-N239 PolarHBondContact OD1-ND2 3.31Å
240	D	97.5	Very high	98.5	Very high	84 Å²	84	47.1 Å²	47.1	45%	0.449	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.8	-3.4	-175.2	63.9	10.1	0	0	0	114.5	D237 I242 K247	D237-D240 WeakPolarHBondContact CB-OD1 3.16Å; D237-D240 PolarHBondContact O-N 3.17Å; D240-I242 VanDerWaalsContact C-N 3.25Å; D240-I242 HydrophobicContact CB-CG1 4.4Å; D240-I242 PolarHBondContact O-N 3.13Å; D240-I242 WeakPolarHBondContact OD1-CB 3.25Å; D240-I242 PolarHBondContact OD1-N 3.24Å; D240-K247 IonicContact OD1-NZ 3.43Å; D240-K247 PolarHBondContact OD1-NZ 2.95Å; D240-K247 WeakPolarHBondContact OD2-CE 3.29Å; D240-K247 IonicContact OD2-NZ 3.8Å; D240-K247 PolarHBondContact OD2-NZ 2.95Å
241	G	98	Very high	98.5	Very high	48 Å²	48	50.5 Å²	50.5	50%	0.495	29%	0.289	S	S	.	.			trans	74.1	11.1	178.5	0	0	0	0	0	114.3	I236 D237	I236-G241 WeakPolarHBondContact CG2-O 3.31Å; D237-G241 WeakPolarHBondContact O-CA 3.36Å; D237-G241 PolarHBondContact O-N 2.92Å
242	I	98.6	Very high	98.5	Very high	66 Å²	66	51.3 Å²	51.3	34%	0.338	30%	0.295	S	S	.	.			trans	-88.5	133.7	-180	-57.7	178.6	0	0	0	109.7	D237 D240 Y244 K246 K247	D237-I242 PolarHBondContact N-O 2.83Å; D240-I242 VanDerWaalsContact C-N 3.25Å; D240-I242 HydrophobicContact CB-CG1 4.4Å; D240-I242 PolarHBondContact O-N 3.13Å; D240-I242 WeakPolarHBondContact OD1-CB 3.25Å; D240-I242 PolarHBondContact OD1-N 3.24Å; I242-Y244 PolarHBondContact O-N 2.7Å; I242-K246 HydrophobicContact CG2-CB 4.42Å; I242-K246 HydrophobicContact CG2-CD 4.49Å; I242-K247 HydrophobicContact CG2-CB 4.05Å
243	P	98.8	Very high	98.5	Very high	21 Å²	21	56.8 Å²	56.8	14%	0.136	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-58	136	173.6	-22.2	32.9	0	0	0	111.6	W222 V224 G235 E245 K246 K247	W222-P243 HydrophobicContact CB-CB 3.74Å; W222-P243 HydrophobicContact CB-CG 4.07Å; W222-P243 WeakPolarHBondContact O-CB 3.16Å; V224-P243 HydrophobicContact CG2-CB 3.98Å; V224-P243 HydrophobicContact CG2-CG 3.62Å; G235-P243 VanDerWaalsContact O-CA 3.32Å; G235-P243 WeakPolarHBondContact O-CA 3.28Å; P243-E245 PolarHBondContact O-N 3.38Å; P243-K246 HydrophobicContact CB-CB 4.12Å; P243-K246 HydrophobicContact CG-CB 4.49Å; P243-K246 WeakPolarHBondContact O-CB 3.42Å; P243-K246 PolarHBondContact O-N 3.07Å; P243-K246 VanDerWaalsContact O-N 3.16Å; P243-K247 PolarHBondContact O-N 3.07Å
244	Y	98.9	Very high	98.5	Very high	33 Å²	33	57.3 Å²	57.3	13%	0.129	32%	0.321	C	S	.	.	H	α-helix	trans	-61.6	-42.9	-176.8	-78.3	-64.7	0	0	0	112.4	G235 I236 D237 I242 K246 K247 F248 V568 F569	G235-Y244 PolarHBondContact O-N 3.21Å; I236-Y244 WeakPolarHBondContact O-CE2 3.31Å; D237-Y244 VanDerWaalsContact CA-CZ 3.46Å; D237-Y244 HydrophobicContact CB-CD1 4.12Å; D237-Y244 HydrophobicContact CB-CE1 3.56Å; D237-Y244 HydrophobicContact CB-CE2 4.27Å; I242-Y244 PolarHBondContact O-N 2.7Å; Y244-K246 VanDerWaalsContact C-N 3.26Å; Y244-K246 PolarHBondContact O-N 3.35Å; Y244-K247 PolarHBondContact O-N 3.32Å; Y244-K247 VanDerWaalsContact O-N 3.15Å; Y244-F248 HydrophobicContact CD1-CD2 4.09Å; Y244-F248 AromaticContact CD1-CE2 3.35Å; Y244-F248 HydrophobicContact CD1-CE2 3.35Å; Y244-F248 AromaticContact CD1-CZ 3.72Å; Y244-F248 HydrophobicContact CD1-CZ 3.72Å; Y244-F248 HydrophobicContact CE1-CE2 4.02Å; Y244-F248 HydrophobicContact CE1-CZ 4.08Å; Y244-F248 HydrophobicContact CG-CE2 4.2Å; Y244-F248 WeakPolarHBondContact O-CB 3.46Å; Y244-F248 WeakPolarHBondContact O-CG 3.16Å; Y244-F248 PolarHBondContact O-N 3.35Å; Y244-V568 HydrophobicContact CD1-CG1 4.46Å; Y244-V568 HydrophobicContact CE1-CG1 4.01Å; Y244-V568 HydrophobicContact CE1-CG2 4.21Å; Y244-V568 HydrophobicContact CE2-CG1 4.21Å; Y244-F569 HydrophobicContact CD1-CE2 4.3Å; Y244-F569 HydrophobicContact CD1-CZ 4.39Å; Y244-F569 HydrophobicContact CD2-CE2 4.36Å; Y244-F569 AromaticContact CD2-CZ 3.66Å; Y244-F569 HydrophobicContact CD2-CZ 3.66Å; Y244-F569 HydrophobicContact CE2-CZ 4.36Å; Y244-F569 AromaticContact CG-CE2 3.96Å; Y244-F569 HydrophobicContact CG-CE2 3.96Å; Y244-F569 AromaticContact CG-CZ 3.67Å; Y244-F569 HydrophobicContact CG-CZ 3.67Å
245	E	98.8	Very high	98.5	Very high	1 Å²	1	52 Å²	52	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-60.6	-37.7	177.5	-174.5	69.3	-177.1	0	0	111.3	P219 W222 D223 N229 N231 I233 P243 C249 E250	P219-E245 HydrophobicContact CB-CG 3.58Å; P219-E245 HydrophobicContact CG-CG 3.63Å; W222-E245 HydrophobicContact CE3-CG 4.29Å; D223-E245 HydrophobicContact CB-CB 4.32Å; N229-E245 PolarHBondContact ND2-OE1 3.1Å; N231-E245 PolarHBondContact ND2-OE1 2.7Å; N231-E245 PolarHBondContact ND2-OE2 3.01Å; I233-E245 VanDerWaalsContact CB-OE2 3.28Å; I233-E245 WeakPolarHBondContact CB-OE2 3.33Å; I233-E245 HydrophobicContact CG2-CB 4.27Å; I233-E245 VanDerWaalsContact CG2-OE2 3.31Å; I233-E245 WeakPolarHBondContact CG2-OE2 3.23Å; P243-E245 PolarHBondContact O-N 3.38Å; E245-C249 WeakPolarHBondContact O-CA 3.22Å; E245-C249 WeakPolarHBondContact O-CB 3.48Å; E245-C249 PolarHBondContact O-N 3.1Å; E245-C249 PolarHBondContact OE2-SG 3.15Å; E245-C249 VanDerWaalsContact OE2-SG 3.35Å; E245-E250 PolarHBondContact O-N 3.15Å
246	K	98.8	Very high	98.5	Very high	77 Å²	77	51.4 Å²	51.4	34%	0.335	30%	0.295	S	S	.	.	H	α-helix	trans	-64.6	-53.4	172.4	-171.9	175.4	-179	176.6	0	111	W222 I242 P243 Y244 F248 E250	W222-K246 HydrophobicContact CB-CB 4.02Å; W222-K246 HydrophobicContact CD2-CB 3.58Å; W222-K246 HydrophobicContact CD2-CD 4.31Å; W222-K246 HydrophobicContact CD2-CG 3.85Å; W222-K246 VanDerWaalsContact CE3-CA 3.4Å; W222-K246 HydrophobicContact CE3-CB 3.75Å; W222-K246 HydrophobicContact CE3-CG 4.19Å; W222-K246 HydrophobicContact CG-CB 3.72Å; W222-K246 HydrophobicContact CG-CD 4.31Å; W222-K246 HydrophobicContact CG-CG 4.22Å; W222-K246 HydrophobicContact CH2-CG 4.49Å; W222-K246 HydrophobicContact CZ2-CG 4.18Å; W222-K246 HydrophobicContact CZ3-CB 4.41Å; W222-K246 HydrophobicContact CZ3-CG 4.49Å; I242-K246 HydrophobicContact CG2-CB 4.42Å; I242-K246 HydrophobicContact CG2-CD 4.49Å; P243-K246 HydrophobicContact CB-CB 4.12Å; P243-K246 HydrophobicContact CG-CB 4.49Å; P243-K246 WeakPolarHBondContact O-CB 3.42Å; P243-K246 PolarHBondContact O-N 3.07Å; P243-K246 VanDerWaalsContact O-N 3.16Å; Y244-K246 VanDerWaalsContact C-N 3.26Å; Y244-K246 PolarHBondContact O-N 3.35Å; K246-F248 VanDerWaalsContact C-N 3.33Å; K246-F248 PolarHBondContact O-N 3.26Å; K246-E250 WeakPolarHBondContact CE-OE2 3.42Å; K246-E250 HydrophobicContact CG-CB 4.31Å; K246-E250 WeakPolarHBondContact CG-OE2 3.49Å; K246-E250 WeakPolarHBondContact O-CB 3.36Å; K246-E250 PolarHBondContact O-N 3.09Å; K246-E250 VanDerWaalsContact O-N 3.15Å
247	K	98.4	Very high	98.5	Very high	43 Å²	43	47.6 Å²	47.6	19%	0.187	28%	0.275	C	S	.	.	H	α-helix	trans	-59.4	-43.4	-175.9	-177.7	178.4	-77.6	156	0	112.3	D237 D240 I242 P243 Y244 F561	D237-K247 IonicContact OD2-NZ 3.56Å; D237-K247 PolarHBondContact OD2-NZ 3.49Å; D240-K247 IonicContact OD1-NZ 3.43Å; D240-K247 PolarHBondContact OD1-NZ 2.95Å; D240-K247 WeakPolarHBondContact OD2-CE 3.29Å; D240-K247 IonicContact OD2-NZ 3.8Å; D240-K247 PolarHBondContact OD2-NZ 2.95Å; I242-K247 HydrophobicContact CG2-CB 4.05Å; P243-K247 PolarHBondContact O-N 3.07Å; Y244-K247 PolarHBondContact O-N 3.32Å; Y244-K247 VanDerWaalsContact O-N 3.15Å; K247-F561 WeakPolarHBondContact O-CE2 3.37Å
248	F	98.8	Very high	98.5	Very high	5 Å²	5	46.7 Å²	46.7	2%	0.022	27%	0.27	C	S	.	.	H	α-helix	trans	-96.8	-25.5	-170.4	-60.4	-29.7	0	0	0	114.1	I233 Y244 K246 N559 F561 Q564 I565 V568 F569	I233-F248 HydrophobicContact CG2-CD2 4.43Å; Y244-F248 HydrophobicContact CD1-CD2 4.09Å; Y244-F248 AromaticContact CD1-CE2 3.35Å; Y244-F248 HydrophobicContact CD1-CE2 3.35Å; Y244-F248 AromaticContact CD1-CZ 3.72Å; Y244-F248 HydrophobicContact CD1-CZ 3.72Å; Y244-F248 HydrophobicContact CE1-CE2 4.02Å; Y244-F248 HydrophobicContact CE1-CZ 4.08Å; Y244-F248 HydrophobicContact CG-CE2 4.2Å; Y244-F248 WeakPolarHBondContact O-CB 3.46Å; Y244-F248 WeakPolarHBondContact O-CG 3.16Å; Y244-F248 PolarHBondContact O-N 3.35Å; K246-F248 VanDerWaalsContact C-N 3.33Å; K246-F248 PolarHBondContact O-N 3.26Å; F248-N559 PolarHBondContact O-ND2 3.41Å; F248-N559 PolarHBondContact O-OD1 3.18Å; F248-F561 HydrophobicContact CB-CB 4.11Å; F248-F561 HydrophobicContact CD1-CB 3.81Å; F248-F561 HydrophobicContact CD1-CD1 4.11Å; F248-F561 AromaticContact CD1-CG 3.98Å; F248-F561 HydrophobicContact CD1-CG 3.98Å; F248-F561 HydrophobicContact CG-CB 4.25Å; F248-Q564 HydrophobicContact CE1-CB 3.87Å; F248-Q564 HydrophobicContact CZ-CB 3.91Å; F248-I565 HydrophobicContact CB-CD1 4Å; F248-I565 HydrophobicContact CB-CG1 3.82Å; F248-I565 HydrophobicContact CD2-CG1 3.75Å; F248-I565 HydrophobicContact CE2-CG1 4.5Å; F248-I565 HydrophobicContact CG-CG1 3.93Å; F248-V568 HydrophobicContact CE2-CG2 4.32Å; F248-V568 HydrophobicContact CZ-CG2 4.38Å; F248-F569 HydrophobicContact CD2-CE2 4.22Å; F248-F569 HydrophobicContact CE2-CE2 4.05Å
249	C	98.8	Very high	98.6	Very high	6 Å²	6	41.6 Å²	41.6	4%	0.041	24%	0.237	C	C	.	.	H	α-helix	trans	-116.1	-20.4	-172.4	-54.7	0	0	0	0	114.3	E245 G251 S252 C329	E245-C249 WeakPolarHBondContact O-CA 3.22Å; E245-C249 WeakPolarHBondContact O-CB 3.48Å; E245-C249 PolarHBondContact O-N 3.1Å; E245-C249 PolarHBondContact OE2-SG 3.15Å; E245-C249 VanDerWaalsContact OE2-SG 3.35Å; C249-G251 PolarHBondContact O-N 3.11Å; C249-S252 WeakPolarHBondContact O-CB 3.36Å; C249-S252 PolarHBondContact O-N 3.14Å; C249-S252 VanDerWaalsContact O-N 3.08Å; C249-S252 PolarHBondContact O-OG 3.49Å; C249-C329 WeakPolarHBondContact CA-SG 3.4Å; C249-C329 HydrophobicContact CB-CB 3.8Å; C249-C329 WeakPolarHBondContact CB-SG 3.32Å; C249-C329 WeakPolarHBondContact SG-CB 3.45Å; C249-C329 CovalentContact SG-SG 2.03Å; C249-C329 PolarHBondContact SG-SG 2.93Å
250	E	98.6	Very high	98.6	Very high	105 Å²	105	34.8 Å²	34.8	49%	0.491	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	128.5	174.7	-173.3	169.4	-141.1	0	0	110.7	W222 E245 K246 S252	W222-E250 HydrophobicContact CH2-CB 3.6Å; W222-E250 HydrophobicContact CH2-CG 3.61Å; W222-E250 HydrophobicContact CZ2-CB 4.39Å; W222-E250 HydrophobicContact CZ2-CG 4.12Å; W222-E250 WeakPolarHBondContact CZ2-OE1 3.22Å; W222-E250 HydrophobicContact CZ3-CB 3.9Å; W222-E250 HydrophobicContact CZ3-CG 4.42Å; E245-E250 PolarHBondContact O-N 3.15Å; K246-E250 WeakPolarHBondContact CE-OE2 3.42Å; K246-E250 HydrophobicContact CG-CB 4.31Å; K246-E250 WeakPolarHBondContact CG-OE2 3.49Å; K246-E250 WeakPolarHBondContact O-CB 3.36Å; K246-E250 PolarHBondContact O-N 3.09Å; K246-E250 VanDerWaalsContact O-N 3.15Å; E250-S252 PolarHBondContact O-N 3.47Å; E250-S252 VanDerWaalsContact O-N 3.15Å
251	G	98	Very high	98.7	Very high	72 Å²	72	30.8 Å²	30.8	74%	0.742	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	75	-7.9	-178.4	0	0	0	0	0	115.9	C249 Q253	C249-G251 PolarHBondContact O-N 3.11Å; G251-Q253 PolarHBondContact O-N 3.34Å
252	S	98.4	Very high	98.7	Very high	18 Å²	18	28.7 Å²	28.7	13%	0.126	16%	0.157	C	C	.	.	S	Bend	trans	-72.7	-12.5	176.9	76.4	0	0	0	0	113.8	C249 E250 P254 N327	C249-S252 WeakPolarHBondContact O-CB 3.36Å; C249-S252 PolarHBondContact O-N 3.14Å; C249-S252 VanDerWaalsContact O-N 3.08Å; C249-S252 PolarHBondContact O-OG 3.49Å; E250-S252 PolarHBondContact O-N 3.47Å; E250-S252 VanDerWaalsContact O-N 3.15Å; S252-P254 WeakPolarHBondContact OG-CD 3.34Å; S252-N327 VanDerWaalsContact CB-ND2 3.32Å; S252-N327 WeakPolarHBondContact CB-ND2 3.33Å; S252-N327 PolarHBondContact O-ND2 2.82Å; S252-N327 PolarHBondContact OG-ND2 3.4Å
253	Q	98.5	Very high	98.6	Very high	125 Å²	125	25.8 Å²	25.8	58%	0.584	14%	0.142	S	C	*	.			trans	52.2	62.3	-177.7	-57.8	-179.1	-15.5	0	0	113.9	G251 R255	G251-Q253 PolarHBondContact O-N 3.34Å; Q253-R255 PolarHBondContact O-NE 2.99Å; Q253-R255 PolarHBondContact O-NH2 3.5Å
254	P	98.8	Very high	98.6	Very high	12 Å²	12	25.2 Å²	25.2	8%	0.078	14%	0.139	C	C	.	.			trans	-55.8	150.6	176.1	-20.4	32.9	0	0	0	111.9	S252 C329 N330 Q362	S252-P254 WeakPolarHBondContact OG-CD 3.34Å; P254-C329 HydrophobicContact CB-CB 4.44Å; P254-C329 HydrophobicContact CG-CB 4.03Å; P254-N330 WeakPolarHBondContact CA-OD1 3.33Å; P254-N330 WeakPolarHBondContact CB-OD1 3.37Å; P254-Q362 HydrophobicContact CB-CG 4.22Å
255	R	98.8	Very high	98.5	Very high	13 Å²	13	24.1 Å²	24.1	5%	0.049	14%	0.138	C	C	.	.			trans	-156.1	145.4	177.8	66.9	-160.9	66.6	-163.9	-3.9	111.7	Q253 L323 N330 P363 I365 Q553 I554	Q253-R255 PolarHBondContact O-NE 2.99Å; Q253-R255 PolarHBondContact O-NH2 3.5Å; R255-L323 HydrophobicContact CG-CD1 4.14Å; R255-L323 HydrophobicContact CG-CD2 4.17Å; R255-L323 WeakPolarHBondContact O-CD2 3.43Å; R255-N330 PolarHBondContact N-OD1 2.83Å; R255-N330 PolarHBondContact O-OD1 3.27Å; R255-P363 WeakPolarHBondContact CA-O 3.31Å; R255-P363 HydrophobicContact CB-CG 4.46Å; R255-P363 WeakPolarHBondContact CB-O 3.24Å; R255-I365 HydrophobicContact CG-CD1 4.3Å; R255-I365 HydrophobicContact CG-CG1 4.32Å; R255-Q553 PolarHBondContact NH1-O 3.3Å; R255-I554 VanDerWaalsContact CD-O 3.3Å; R255-I554 WeakPolarHBondContact CD-O 3.28Å; R255-I554 VanDerWaalsContact NH1-C 3.32Å; R255-I554 PolarHBondContact NH1-O 3.01Å
256	G	98.9	Very high	98.5	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	163.9	175.9	0	0	0	0	0	113.3	D333 P363 A364 I365	G256-D333 VanDerWaalsContact CA-O 3.27Å; G256-D333 WeakPolarHBondContact CA-O 3.32Å; G256-D333 WeakPolarHBondContact CA-OD1 3.29Å; G256-D333 WeakPolarHBondContact CA-OD2 3.38Å; G256-D333 PolarHBondContact N-OD2 3.09Å; G256-P363 PolarHBondContact N-O 2.87Å; G256-P363 VanDerWaalsContact N-O 3.08Å; G256-A364 CarbonylContact O-C 3.58Å; G256-A364 WeakPolarHBondContact O-CA 3.28Å; G256-I365 PolarHBondContact O-N 3.41Å
257	I	98.9	Very high	98.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	121.4	167.7	-178.7	62.5	0	0	0	110	V304 I319 Y320 L323 D333 Y334 Q335 I365 I367	I257-V304 HydrophobicContact CD1-CG1 4.14Å; I257-V304 HydrophobicContact CG1-CG1 3.8Å; I257-I319 HydrophobicContact CD1-CG2 3.87Å; I257-I319 HydrophobicContact CG1-CG2 4.02Å; I257-Y320 HydrophobicContact CG2-CD2 4.05Å; I257-Y320 HydrophobicContact CG2-CG 4.35Å; I257-L323 HydrophobicContact CB-CD2 4.1Å; I257-L323 HydrophobicContact CG2-CD2 4.49Å; I257-D333 PolarHBondContact N-O 3.47Å; I257-Y334 CarbonylContact O-C 3.52Å; I257-Y334 VanDerWaalsContact O-CA 3.31Å; I257-Y334 WeakPolarHBondContact O-CA 3.46Å; I257-Q335 PolarHBondContact O-N 3.31Å; I257-I365 HydrophobicContact CD1-CB 4.04Å; I257-I365 HydrophobicContact CD1-CG2 4.06Å; I257-I367 HydrophobicContact CD1-CD1 4.02Å; I257-I367 HydrophobicContact CD1-CG1 4.21Å
258	I	98.9	Very high	98.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	125	179.6	-56.3	177.6	0	0	0	108.4	L260 Q335 I337 L354 A364 I365 V366 I367	I258-L260 HydrophobicContact CG2-CD2 4.3Å; I258-Q335 CarbonylContact C-O 3.38Å; I258-Q335 WeakPolarHBondContact CA-O 3.34Å; I258-Q335 HydrophobicContact CG1-CB 4.26Å; I258-Q335 HydrophobicContact CG2-CB 4.37Å; I258-I337 HydrophobicContact CG2-CG1 3.99Å; I258-L354 HydrophobicContact CD1-CD1 4.23Å; I258-L354 HydrophobicContact CD1-CG 4.32Å; I258-L354 HydrophobicContact CG2-CD1 3.91Å; I258-L354 HydrophobicContact CG2-CG 4.47Å; I258-A364 HydrophobicContact CD1-CB 3.7Å; I258-A364 HydrophobicContact CG1-CB 4.07Å; I258-I365 PolarHBondContact N-O 2.88Å; I258-V366 HydrophobicContact CB-CG1 4.44Å; I258-V366 HydrophobicContact CB-CG2 4.19Å; I258-V366 HydrophobicContact CD1-CG2 4.43Å; I258-V366 HydrophobicContact CG2-CG1 4.4Å; I258-V366 CarbonylContact O-C 3.45Å; I258-V366 VanDerWaalsContact O-CA 3.27Å; I258-V366 WeakPolarHBondContact O-CA 3.29Å; I258-I367 PolarHBondContact O-N 3.29Å
259	L	98.9	Very high	98.4	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120.2	171.7	178	62.2	0	0	0	109.4	G265 V304 T305 Q335 I337 S338 I367 A369	L259-G265 VanDerWaalsContact CD2-O 3.29Å; L259-G265 WeakPolarHBondContact CD2-O 3.48Å; L259-V304 HydrophobicContact CB-CB 4.45Å; L259-V304 HydrophobicContact CB-CG1 4Å; L259-V304 HydrophobicContact CD1-CG1 4.44Å; L259-V304 HydrophobicContact CD1-CG2 4.19Å; L259-V304 HydrophobicContact CD2-CB 4.03Å; L259-V304 HydrophobicContact CD2-CG1 4.46Å; L259-V304 HydrophobicContact CD2-CG2 4.12Å; L259-T305 HydrophobicContact CB-CG2 4.33Å; L259-Q335 PolarHBondContact N-O 2.75Å; L259-I337 CarbonylContact O-C 3.44Å; L259-I337 VanDerWaalsContact O-CA 3.28Å; L259-I337 WeakPolarHBondContact O-CA 3.31Å; L259-I337 WeakPolarHBondContact O-CB 3.4Å; L259-I337 PolarHBondContact O-N 3.17Å; L259-S338 WeakPolarHBondContact CD2-OG 3.16Å; L259-I367 HydrophobicContact CD1-CB 4.14Å; L259-I367 HydrophobicContact CD1-CG2 4.14Å; L259-A369 HydrophobicContact CD1-CB 3.91Å
260	L	98.9	Very high	98.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	98.2	160.4	-52.5	-178.7	0	0	0	106.6	I258 I337 L347 I351 L354 V366 I367 Y368 A369 M370 T399 L403	I258-L260 HydrophobicContact CG2-CD2 4.3Å; L260-I337 WeakPolarHBondContact CA-O 3.28Å; L260-I337 HydrophobicContact CD2-CB 3.84Å; L260-I337 HydrophobicContact CD2-CG1 4.36Å; L260-I337 HydrophobicContact CD2-CG2 3.99Å; L260-L347 HydrophobicContact CB-CD1 4.42Å; L260-L347 HydrophobicContact CB-CD2 4.42Å; L260-L347 HydrophobicContact CD1-CD2 4.22Å; L260-I351 HydrophobicContact CD1-CD1 4.43Å; L260-L354 HydrophobicContact CD2-CD1 4.17Å; L260-V366 HydrophobicContact CD1-CG1 3.88Å; L260-V366 HydrophobicContact CG-CG1 3.81Å; L260-I367 PolarHBondContact N-O 3.33Å; L260-Y368 HydrophobicContact CD1-CD2 4.38Å; L260-A369 PolarHBondContact O-N 3.4Å; L260-M370 HydrophobicContact CB-CE 4.38Å; L260-M370 WeakPolarHBondContact O-CE 3.45Å; L260-T399 HydrophobicContact CD1-CG2 4.29Å; L260-L403 HydrophobicContact CD1-CD1 3.97Å; L260-L403 HydrophobicContact CD1-CD2 4.25Å
261	G	98.4	Very high	98.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	169.4	-165.7	0	0	0	0	0	115.3	I337 S338 R339 A342 M370	G261-I337 PolarHBondContact N-O 3.43Å; G261-I337 VanDerWaalsContact N-O 3.11Å; G261-S338 VanDerWaalsContact CA-OG 3.31Å; G261-S338 WeakPolarHBondContact CA-OG 3.33Å; G261-S338 PolarHBondContact N-OG 2.83Å; G261-S338 WeakPolarHBondContact O-CA 3.06Å; G261-S338 WeakPolarHBondContact O-CB 3.32Å; G261-R339 PolarHBondContact O-N 3.14Å; G261-A342 WeakPolarHBondContact O-CB 3.07Å; G261-M370 VanDerWaalsContact C-CE 3.42Å; G261-M370 WeakPolarHBondContact O-CE 3.36Å
262	D	98	Very high	98.1	Very high	4 Å²	4	15 Å²	15	2%	0.021	8%	0.08	C	C	.	.			trans	-100.2	-158.5	167.9	59.9	23.4	0	0	0	111.9	A264 G265 A266 R339 A342 I371	D262-A264 VanDerWaalsContact C-N 3.32Å; D262-A264 PolarHBondContact O-N 3.05Å; D262-A264 WeakPolarHBondContact OD1-CB 3.45Å; D262-A264 PolarHBondContact OD1-N 2.98Å; D262-G265 PolarHBondContact O-N 2.75Å; D262-G265 PolarHBondContact OD1-N 2.77Å; D262-A266 WeakPolarHBondContact O-CB 3.49Å; D262-A266 PolarHBondContact O-N 3.09Å; D262-R339 CarbonylContact C-O 3Å; D262-R339 VanDerWaalsContact CA-O 3.25Å; D262-R339 WeakPolarHBondContact CA-O 3.02Å; D262-A342 HydrophobicContact CB-CB 4.16Å; D262-A342 WeakPolarHBondContact CB-O 3.44Å; D262-I371 WeakPolarHBondContact OD2-CG1 3.12Å; D262-I371 PolarHBondContact OD2-N 2.8Å
263	S	96.9	Very high	98	Very high	5 Å²	5	17.8 Å²	17.8	4%	0.035	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-36	176.4	38.5	0	0	0	0	112.9	A266 H267 F268 R339 N340 H530	S263-A266 PolarHBondContact O-N 2.95Å; S263-H267 PolarHBondContact O-N 3.07Å; S263-H267 VanDerWaalsContact O-N 3.07Å; S263-F268 WeakPolarHBondContact O-CB 3.47Å; S263-F268 PolarHBondContact O-N 3.2Å; S263-R339 PolarHBondContact N-O 3.5Å; S263-N340 WeakPolarHBondContact CB-OD1 3.4Å; S263-H530 WeakPolarHBondContact CB-NE2 3.41Å; S263-H530 PolarHBondContact OG-CD2 2.93Å; S263-H530 PolarHBondContact OG-NE2 3.09Å
264	A	98.3	Very high	97.9	Very high	9 Å²	9	13 Å²	13	7%	0.074	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-39.4	177	0	0	0	0	0	110.9	D262 H267 I371 P531	D262-A264 VanDerWaalsContact C-N 3.32Å; D262-A264 PolarHBondContact O-N 3.05Å; D262-A264 WeakPolarHBondContact OD1-CB 3.45Å; D262-A264 PolarHBondContact OD1-N 2.98Å; A264-H267 PolarHBondContact O-N 3.37Å; A264-H267 VanDerWaalsContact O-N 3.13Å; A264-I371 HydrophobicContact CB-CD1 3.72Å; A264-I371 HydrophobicContact CB-CG1 4.23Å; A264-P531 HydrophobicContact CB-CG 3.87Å
265	G	98.1	Very high	97.7	Very high	10 Å²	10	13.3 Å²	13.3	10%	0.103	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-39.3	173.8	0	0	0	0	0	113.9	L259 D262 H267	L259-G265 VanDerWaalsContact CD2-O 3.29Å; L259-G265 WeakPolarHBondContact CD2-O 3.48Å; D262-G265 PolarHBondContact O-N 2.75Å; D262-G265 PolarHBondContact OD1-N 2.77Å; G265-H267 PolarHBondContact O-N 3.16Å
266	A	98.3	Very high	97.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-3.4	174.3	0	0	0	0	0	113.4	W201 D262 S263 N297 W298 P299	W201-A266 HydrophobicContact CH2-CB 4.42Å; W201-A266 HydrophobicContact CZ3-CB 4.11Å; D262-A266 WeakPolarHBondContact O-CB 3.49Å; D262-A266 PolarHBondContact O-N 3.09Å; S263-A266 PolarHBondContact O-N 2.95Å; A266-N297 HydrophobicContact CB-CB 3.85Å; A266-N297 VanDerWaalsContact CB-OD1 3.32Å; A266-N297 WeakPolarHBondContact CB-OD1 3.29Å; A266-N297 WeakPolarHBondContact O-CB 3.32Å; A266-W298 CarbonylContact O-C 3.57Å; A266-W298 PolarHBondContact O-N 2.89Å; A266-P299 VanDerWaalsContact O-N 3.16Å
267	H	98.6	Very high	97.5	Very high	5 Å²	5	13.2 Å²	13.2	2%	0.023	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	65.5	-172.1	-174.5	28.6	0	0	0	112	S263 A264 G265 H269 W298 E524 E533	S263-H267 PolarHBondContact O-N 3.07Å; S263-H267 VanDerWaalsContact O-N 3.07Å; A264-H267 PolarHBondContact O-N 3.37Å; A264-H267 VanDerWaalsContact O-N 3.13Å; G265-H267 PolarHBondContact O-N 3.16Å; H267-H269 PolarHBondContact O-N 3.38Å; H267-W298 HydrophobicContact CB-CB 4.48Å; H267-W298 PolarHBondContact O-N 3.47Å; H267-E524 IonicContact CE1-OE1 2.77Å; H267-E524 PolarHBondContact CE1-OE1 2.89Å; H267-E524 IonicContact ND1-OE1 3.72Å; H267-E533 PolarHBondContact CE1-N 3.42Å
268	F	97.9	Very high	97.4	Very high	23 Å²	23	16.8 Å²	16.8	10%	0.101	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-60.6	126.9	168.4	-176.5	-87.2	0	0	0	109.7	S263 I270 L296 D527 H530	S263-F268 WeakPolarHBondContact O-CB 3.47Å; S263-F268 PolarHBondContact O-N 3.2Å; F268-I270 HydrophobicContact CE1-CD1 3.97Å; F268-I270 HydrophobicContact CE1-CG1 3.89Å; F268-I270 HydrophobicContact CZ-CD1 3.95Å; F268-I270 HydrophobicContact CZ-CG1 4.02Å; F268-L296 WeakPolarHBondContact CA-O 3.36Å; F268-L296 HydrophobicContact CD2-CB 3.99Å; F268-L296 HydrophobicContact CE2-CB 3.54Å; F268-L296 HydrophobicContact CE2-CD1 4.06Å; F268-L296 HydrophobicContact CE2-CG 4.42Å; F268-L296 HydrophobicContact CZ-CB 4.06Å; F268-L296 HydrophobicContact CZ-CD1 4Å; F268-D527 WeakPolarHBondContact CD1-OD2 3.45Å; F268-H530 AromaticContact CD1-CE1 3.71Å; F268-H530 AromaticContact CD1-ND1 3.6Å
269	H	97.7	Very high	97.3	Very high	37 Å²	37	21.9 Å²	21.9	17%	0.171	12%	0.118	C	C	.	.			trans	-151.9	129	-179.1	165.4	76.2	0	0	0	110.3	H267 P271 L296 W298 E524	H267-H269 PolarHBondContact O-N 3.38Å; H269-P271 WeakPolarHBondContact NE2-CA 3.37Å; H269-P271 WeakPolarHBondContact NE2-CG 3.45Å; H269-L296 PolarHBondContact N-O 3.23Å; H269-W298 HydrophobicContact CB-CG 4.44Å; H269-W298 AromaticContact CD2-CE2 3.82Å; H269-W298 AromaticContact CD2-NE1 3.65Å; H269-W298 PolarHBondContact O-NE1 3.32Å; H269-E524 IonicContact CE1-OE2 3.5Å; H269-E524 IonicContact CG-OE1 2.66Å; H269-E524 IonicContact CG-OE2 3.95Å; H269-E524 VanDerWaalsContact ND1-CD 3.34Å; H269-E524 IonicContact ND1-OE1 3.55Å; H269-E524 PolarHBondContact ND1-OE1 3.11Å; H269-E524 IonicContact ND1-OE2 3.05Å; H269-E524 PolarHBondContact ND1-OE2 3.18Å
270	I	94	Very high	97.3	Very high	29 Å²	29	22.2 Å²	22.2	15%	0.149	12%	0.12	C	C	.	.			trans	-107.5	116	167.5	-58.8	173.9	0	0	0	106.9	F268 W274 L296 V526	F268-I270 HydrophobicContact CE1-CD1 3.97Å; F268-I270 HydrophobicContact CE1-CG1 3.89Å; F268-I270 HydrophobicContact CZ-CD1 3.95Å; F268-I270 HydrophobicContact CZ-CG1 4.02Å; I270-W274 HydrophobicContact CG2-CE3 3.75Å; I270-W274 HydrophobicContact CG2-CZ3 4.05Å; I270-L296 HydrophobicContact CD1-CD1 4.25Å; I270-L296 HydrophobicContact CG1-CD1 4.12Å; I270-V526 HydrophobicContact CB-CB 3.92Å; I270-V526 HydrophobicContact CB-CG1 3.79Å; I270-V526 HydrophobicContact CB-CG2 4.25Å; I270-V526 HydrophobicContact CD1-CG1 4.08Å; I270-V526 HydrophobicContact CG2-CB 4.24Å; I270-V526 HydrophobicContact CG2-CG1 3.8Å; I270-V526 HydrophobicContact CG2-CG2 4.21Å; I270-V526 WeakPolarHBondContact O-CG2 3.35Å
271	P	97.3	Very high	97.2	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	13%	0.133	C	C	.	.			trans	-56.8	123.2	178.4	-28.1	35.1	0	0	0	112.1	H269 E273 W274 W298	H269-P271 WeakPolarHBondContact NE2-CA 3.37Å; H269-P271 WeakPolarHBondContact NE2-CG 3.45Å; P271-E273 VanDerWaalsContact CB-OE2 3.29Å; P271-E273 WeakPolarHBondContact CB-OE2 3.3Å; P271-E273 PolarHBondContact O-N 3.32Å; P271-W274 HydrophobicContact CB-CD2 4.09Å; P271-W274 HydrophobicContact CB-CG 4.13Å; P271-W274 HydrophobicContact CB-CZ2 4.39Å; P271-W274 HydrophobicContact CG-CD2 4.06Å; P271-W274 HydrophobicContact CG-CH2 4.09Å; P271-W274 HydrophobicContact CG-CZ2 3.54Å; P271-W274 WeakPolarHBondContact O-CB 3.29Å; P271-W274 PolarHBondContact O-N 3.26Å; P271-W298 HydrophobicContact CG-CZ2 4.07Å
272	P	97.1	Very high	97.1	Very high	23 Å²	23	28.2 Å²	28.2	15%	0.149	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-60.5	-24.5	175.3	25.5	-34.5	0	0	0	112.1	W274 L275 T276 P434 P525 V526	P272-W274 PolarHBondContact O-N 3.21Å; P272-W274 VanDerWaalsContact O-N 3.09Å; P272-L275 PolarHBondContact O-N 2.69Å; P272-T276 PolarHBondContact O-N 2.89Å; P272-T276 PolarHBondContact O-OG1 3.1Å; P272-P434 HydrophobicContact CB-CB 4.44Å; P272-P434 HydrophobicContact CB-CG 4.2Å; P272-P525 HydrophobicContact CB-CG 4.13Å; P272-P525 HydrophobicContact CG-CG 3.86Å; P272-V526 HydrophobicContact CB-CG2 4.15Å
273	E	97.6	Very high	97	Very high	76 Å²	76	35.6 Å²	35.6	36%	0.355	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-58	-21.4	173.8	-61.3	75.3	-166.4	0	0	113.3	P271 L275	P271-E273 VanDerWaalsContact CB-OE2 3.29Å; P271-E273 WeakPolarHBondContact CB-OE2 3.3Å; P271-E273 PolarHBondContact O-N 3.32Å; E273-L275 VanDerWaalsContact C-N 3.32Å
274	W	95.6	Very high	97	Very high	24 Å²	24	35.9 Å²	35.9	9%	0.091	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-77.4	-19.1	174.6	-62.1	-4.6	0	0	0	113.1	I270 P271 P272 M280 S284 F285 N287 L288 A291 L296	I270-W274 HydrophobicContact CG2-CE3 3.75Å; I270-W274 HydrophobicContact CG2-CZ3 4.05Å; P271-W274 HydrophobicContact CB-CD2 4.09Å; P271-W274 HydrophobicContact CB-CG 4.13Å; P271-W274 HydrophobicContact CB-CZ2 4.39Å; P271-W274 HydrophobicContact CG-CD2 4.06Å; P271-W274 HydrophobicContact CG-CH2 4.09Å; P271-W274 HydrophobicContact CG-CZ2 3.54Å; P271-W274 WeakPolarHBondContact O-CB 3.29Å; P271-W274 PolarHBondContact O-N 3.26Å; P272-W274 PolarHBondContact O-N 3.21Å; P272-W274 VanDerWaalsContact O-N 3.09Å; W274-M280 WeakPolarHBondContact O-CE 3.03Å; W274-S284 PolarHBondContact NE1-O 2.93Å; W274-F285 HydrophobicContact CB-CD1 4.41Å; W274-F285 HydrophobicContact CB-CE1 3.78Å; W274-F285 AromaticContact CD1-CD1 3.66Å; W274-F285 AromaticContact CD1-CE1 3.85Å; W274-F285 AromaticContact CG-CD1 3.98Å; W274-F285 HydrophobicContact CG-CD1 3.98Å; W274-F285 AromaticContact CG-CE1 3.84Å; W274-F285 HydrophobicContact CG-CE1 3.84Å; W274-N287 WeakPolarHBondContact CZ2-OD1 3.45Å; W274-N287 PolarHBondContact NE1-OD1 3.1Å; W274-L288 HydrophobicContact CD2-CD1 4.21Å; W274-L288 HydrophobicContact CE3-CD1 3.91Å; W274-L288 HydrophobicContact CH2-CB 4.42Å; W274-L288 HydrophobicContact CH2-CD1 3.46Å; W274-L288 VanDerWaalsContact CH2-CD1 3.46Å; W274-L288 HydrophobicContact CZ2-CB 3.9Å; W274-L288 HydrophobicContact CZ2-CD1 3.76Å; W274-L288 HydrophobicContact CZ2-CG 4.45Å; W274-L288 HydrophobicContact CZ3-CD1 3.53Å; W274-A291 HydrophobicContact CH2-CB 3.68Å; W274-A291 HydrophobicContact CZ2-CB 4.17Å; W274-L296 HydrophobicContact CH2-CD2 4.05Å; W274-L296 HydrophobicContact CZ3-CD2 3.9Å
275	L	94.2	Very high	96.7	Very high	20 Å²	20	36 Å²	36	11%	0.105	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-18.3	-174.1	-56.2	-172.4	0	0	0	113.2	V46 V50 P272 E273 A277 L435 V526	V46-L275 HydrophobicContact CG1-CD2 3.44Å; V46-L275 VanDerWaalsContact CG1-CD2 3.44Å; V50-L275 HydrophobicContact CG2-CD2 4.41Å; P272-L275 PolarHBondContact O-N 2.69Å; E273-L275 VanDerWaalsContact C-N 3.32Å; L275-A277 PolarHBondContact O-N 3.49Å; L275-L435 HydrophobicContact CB-CD2 4.04Å; L275-L435 HydrophobicContact CB-CG 4.44Å; L275-L435 HydrophobicContact CD1-CG 4.42Å; L275-V526 HydrophobicContact CD1-CB 4.44Å; L275-V526 HydrophobicContact CD1-CG1 3.58Å; L275-V526 HydrophobicContact CD1-CG2 4.01Å
276	T	97.4	Very high	96.6	Very high	8 Å²	8	41.9 Å²	41.9	5%	0.049	21%	0.211	C	C	.	.			trans	-92.9	92.5	-176.9	-53.9	0	0	0	0	111.2	P272 S278 Q279 M280	P272-T276 PolarHBondContact O-N 2.89Å; P272-T276 PolarHBondContact O-OG1 3.1Å; T276-S278 WeakPolarHBondContact CG2-OG 3.44Å; T276-S278 PolarHBondContact O-N 2.9Å; T276-S278 VanDerWaalsContact O-N 3.14Å; T276-Q279 HydrophobicContact CG2-CG 3.86Å; T276-Q279 PolarHBondContact O-N 2.53Å; T276-M280 PolarHBondContact O-N 2.85Å
277	A	96.9	Very high	96.3	Very high	2 Å²	2	44.2 Å²	44.2	2%	0.017	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-54.4	-33.4	-176.7	0	0	0	0	0	114.5	Q53 L54 V57 L275 Q279 M280	Q53-A277 HydrophobicContact CB-CB 3.56Å; L54-A277 HydrophobicContact CD2-CB 3.94Å; L54-A277 HydrophobicContact CG-CB 3.89Å; V57-A277 HydrophobicContact CG2-CB 4.21Å; L275-A277 PolarHBondContact O-N 3.49Å; A277-Q279 PolarHBondContact O-N 3.27Å; A277-M280 PolarHBondContact O-N 3.44Å
278	S	97	Very high	95.6	Very high	75 Å²	75	44.9 Å²	44.9	52%	0.524	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-63.1	-21.9	-177.6	57.5	0	0	0	0	114.6	T276	T276-S278 WeakPolarHBondContact CG2-OG 3.44Å; T276-S278 PolarHBondContact O-N 2.9Å; T276-S278 VanDerWaalsContact O-N 3.14Å
279	Q	96.7	Very high	95	Very high	107 Å²	107	44.4 Å²	44.4	50%	0.5	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-122.7	6.7	178.6	64.3	-174.8	15.6	0	0	112.8	T276 A277	T276-Q279 HydrophobicContact CG2-CG 3.86Å; T276-Q279 PolarHBondContact O-N 2.53Å; A277-Q279 PolarHBondContact O-N 3.27Å
280	M	97.8	Very high	94.5	Very high	8 Å²	8	44.5 Å²	44.5	4%	0.039	23%	0.231	C	C	.	.			trans	-71.6	132.8	-173.7	-172.1	176.3	-66.5	0	0	111.6	V50 L54 L69 Y72 W274 T276 A277 F285	V50-M280 HydrophobicContact CG1-CE 3.6Å; V50-M280 HydrophobicContact CG1-SD 4.04Å; L54-M280 HydrophobicContact CD1-SD 3.91Å; L54-M280 HydrophobicContact CD2-CB 4.3Å; L54-M280 HydrophobicContact CD2-SD 4.21Å; L54-M280 HydrophobicContact CG-SD 4.38Å; L69-M280 HydrophobicContact CD1-SD 3.77Å; Y72-M280 HydrophobicContact CD2-CG 3.88Å; Y72-M280 HydrophobicContact CD2-SD 4.31Å; Y72-M280 HydrophobicContact CE2-CG 4.12Å; Y72-M280 WeakPolarHBondContact CE2-O 3.16Å; W274-M280 WeakPolarHBondContact O-CE 3.03Å; T276-M280 PolarHBondContact O-N 2.85Å; A277-M280 PolarHBondContact O-N 3.44Å; M280-F285 HydrophobicContact CE-CZ 3.99Å; M280-F285 HydrophobicContact CG-CE2 3.69Å; M280-F285 HydrophobicContact CG-CZ 4.1Å; M280-F285 HydrophobicContact SD-CE2 3.76Å; M280-F285 HydrophobicContact SD-CZ 3.72Å
281	S	97.3	Very high	94.1	Very high	40 Å²	40	43.2 Å²	43.2	28%	0.28	22%	0.224	S	C	.	.			trans	-150.7	177.5	177.5	71	0	0	0	0	111.2	K283 S284	S281-K283 PolarHBondContact O-N 2.81Å; S281-K283 PolarHBondContact OG-N 3.4Å; S281-S284 PolarHBondContact N-OG 3.09Å; S281-S284 WeakPolarHBondContact O-CB 3.48Å; S281-S284 PolarHBondContact O-N 3.23Å; S281-S284 PolarHBondContact O-OG 3.06Å
282	L	95.9	Very high	93.3	Very high	86 Å²	86	43.8 Å²	43.8	45%	0.45	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-55.8	-32.2	170.9	175.9	143.9	0	0	0	112.8	Y72 S284 F286	Y72-L282 HydrophobicContact CD1-CB 4.16Å; L282-S284 VanDerWaalsContact C-N 3.3Å; L282-S284 PolarHBondContact O-N 3.16Å; L282-F286 HydrophobicContact CD2-CD1 4.32Å; L282-F286 HydrophobicContact CD2-CE1 3.19Å; L282-F286 HydrophobicContact CD2-CE2 4.47Å; L282-F286 HydrophobicContact CD2-CZ 3.29Å; L282-F286 HydrophobicContact CG-CE1 3.98Å; L282-F286 HydrophobicContact CG-CZ 4.49Å; L282-F286 WeakPolarHBondContact O-CD1 3.42Å
283	K	97.2	Very high	92.7	Very high	159 Å²	159	43.6 Å²	43.6	69%	0.691	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-68.8	-29.5	177.2	-67.9	-176.2	178.7	-179.7	0	112.6	S281 F285 F286	S281-K283 PolarHBondContact O-N 2.81Å; S281-K283 PolarHBondContact OG-N 3.4Å; K283-F285 PolarHBondContact O-N 3.16Å; K283-F285 VanDerWaalsContact O-N 3.16Å; K283-F286 HydrophobicContact CB-CE2 4.47Å; K283-F286 HydrophobicContact CG-CE2 4.02Å; K283-F286 HydrophobicContact CG-CZ 4.44Å; K283-F286 PolarHBondContact O-N 2.78Å
284	S	96.7	Very high	92.4	Very high	12 Å²	12	40 Å²	40	8%	0.084	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-57.6	-31	-178.9	-53.8	0	0	0	0	112	W274 S281 L282 N287	W274-S284 PolarHBondContact NE1-O 2.93Å; S281-S284 PolarHBondContact N-OG 3.09Å; S281-S284 WeakPolarHBondContact O-CB 3.48Å; S281-S284 PolarHBondContact O-N 3.23Å; S281-S284 PolarHBondContact O-OG 3.06Å; L282-S284 VanDerWaalsContact C-N 3.3Å; L282-S284 PolarHBondContact O-N 3.16Å; S284-N287 PolarHBondContact O-OD1 3.2Å
285	F	92	Very high	92	Very high	10 Å²	10	40.2 Å²	40.2	4%	0.044	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-106.5	9.2	-173.3	-59	-77.6	0	0	0	114.8	L69 L73 P74 W274 M280 K283 N287 L288	L69-F285 HydrophobicContact CD1-CZ 4.27Å; L73-F285 HydrophobicContact CD2-CB 4.35Å; L73-F285 HydrophobicContact CD2-CD1 3.78Å; L73-F285 HydrophobicContact CD2-CD2 4.26Å; L73-F285 HydrophobicContact CD2-CE1 4.05Å; L73-F285 HydrophobicContact CD2-CG 3.87Å; L73-F285 HydrophobicContact CD2-CZ 4.41Å; P74-F285 HydrophobicContact CG-CB 4.35Å; P74-F285 WeakPolarHBondContact CG-O 3.3Å; W274-F285 HydrophobicContact CB-CD1 4.41Å; W274-F285 HydrophobicContact CB-CE1 3.78Å; W274-F285 AromaticContact CD1-CD1 3.66Å; W274-F285 AromaticContact CD1-CE1 3.85Å; W274-F285 AromaticContact CG-CD1 3.98Å; W274-F285 HydrophobicContact CG-CD1 3.98Å; W274-F285 AromaticContact CG-CE1 3.84Å; W274-F285 HydrophobicContact CG-CE1 3.84Å; M280-F285 HydrophobicContact CE-CZ 3.99Å; M280-F285 HydrophobicContact CG-CE2 3.69Å; M280-F285 HydrophobicContact CG-CZ 4.1Å; M280-F285 HydrophobicContact SD-CE2 3.76Å; M280-F285 HydrophobicContact SD-CZ 3.72Å; K283-F285 PolarHBondContact O-N 3.16Å; K283-F285 VanDerWaalsContact O-N 3.16Å; F285-N287 PolarHBondContact O-N 2.95Å; F285-L288 HydrophobicContact CB-CB 4.31Å; F285-L288 HydrophobicContact CD1-CD2 3.93Å; F285-L288 WeakPolarHBondContact O-CB 3.31Å; F285-L288 PolarHBondContact O-N 3.26Å; F285-L288 VanDerWaalsContact O-N 3.14Å
286	F	95	Very high	91.8	Very high	135 Å²	135	39.7 Å²	39.7	59%	0.592	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-32.5	178.7	-79	-8.5	0	0	0	113.7	L282 K283	L282-F286 HydrophobicContact CD2-CD1 4.32Å; L282-F286 HydrophobicContact CD2-CE1 3.19Å; L282-F286 HydrophobicContact CD2-CE2 4.47Å; L282-F286 HydrophobicContact CD2-CZ 3.29Å; L282-F286 HydrophobicContact CG-CE1 3.98Å; L282-F286 HydrophobicContact CG-CZ 4.49Å; L282-F286 WeakPolarHBondContact O-CD1 3.42Å; K283-F286 HydrophobicContact CB-CE2 4.47Å; K283-F286 HydrophobicContact CG-CE2 4.02Å; K283-F286 HydrophobicContact CG-CZ 4.44Å; K283-F286 PolarHBondContact O-N 2.78Å
287	N	92.8	Very high	91.8	Very high	49 Å²	49	39.3 Å²	39.3	26%	0.262	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-9.5	179.8	61.1	-0	0	0	0	113.7	W274 S284 F285 S290 A291 W298	W274-N287 WeakPolarHBondContact CZ2-OD1 3.45Å; W274-N287 PolarHBondContact NE1-OD1 3.1Å; S284-N287 PolarHBondContact O-OD1 3.2Å; F285-N287 PolarHBondContact O-N 2.95Å; N287-S290 PolarHBondContact O-N 3.21Å; N287-S290 PolarHBondContact O-OG 3.49Å; N287-A291 WeakPolarHBondContact O-CB 3.04Å; N287-A291 PolarHBondContact O-N 2.88Å; N287-W298 HydrophobicContact CB-CH2 3.73Å; N287-W298 HydrophobicContact CB-CZ3 4.41Å
288	L	83.9	Confident	91.8	Very high	19 Å²	19	40.5 Å²	40.5	10%	0.099	21%	0.21	C	C	.	.	H	α-helix	trans	-57.1	-44.9	-177.6	179.4	61.6	0	0	0	112.9	L73 L79 W274 F285 S290 A291 L292	L73-L288 HydrophobicContact CD2-CD2 3.86Å; L79-L288 HydrophobicContact CD1-CD2 3.9Å; L79-L288 HydrophobicContact CD1-CG 3.96Å; L79-L288 HydrophobicContact CD2-CD2 3.87Å; L79-L288 HydrophobicContact CD2-CG 4.35Å; L79-L288 HydrophobicContact CG-CD2 4.49Å; W274-L288 HydrophobicContact CD2-CD1 4.21Å; W274-L288 HydrophobicContact CE3-CD1 3.91Å; W274-L288 HydrophobicContact CH2-CB 4.42Å; W274-L288 HydrophobicContact CH2-CD1 3.46Å; W274-L288 VanDerWaalsContact CH2-CD1 3.46Å; W274-L288 HydrophobicContact CZ2-CB 3.9Å; W274-L288 HydrophobicContact CZ2-CD1 3.76Å; W274-L288 HydrophobicContact CZ2-CG 4.45Å; W274-L288 HydrophobicContact CZ3-CD1 3.53Å; F285-L288 HydrophobicContact CB-CB 4.31Å; F285-L288 HydrophobicContact CD1-CD2 3.93Å; F285-L288 WeakPolarHBondContact O-CB 3.31Å; F285-L288 PolarHBondContact O-N 3.26Å; F285-L288 VanDerWaalsContact O-N 3.14Å; L288-S290 PolarHBondContact O-N 2.83Å; L288-A291 PolarHBondContact O-N 3.49Å; L288-L292 HydrophobicContact CD1-CD1 3.93Å; L288-L292 HydrophobicContact CD1-CD2 4.4Å; L288-L292 HydrophobicContact CD1-CG 3.91Å; L288-L292 HydrophobicContact CG-CD1 4.03Å; L288-L292 HydrophobicContact CG-CG 4.42Å; L288-L292 WeakPolarHBondContact O-CB 3.02Å; L288-L292 VanDerWaalsContact O-CG 3.28Å; L288-L292 WeakPolarHBondContact O-CG 3.42Å; L288-L292 PolarHBondContact O-N 3.21Å
289	P	84.1	Confident	91.9	Very high	12 Å²	12	37 Å²	37	8%	0.078	19%	0.185	C	C	.	.	H	α-helix	trans	-64.5	-42.5	-179.4	-20.9	33.5	0	0	0	112.8	P74 K76 L77 L79 T293	P74-P289 HydrophobicContact CB-CG 3.93Å; P74-P289 HydrophobicContact CG-CG 3.85Å; K76-P289 HydrophobicContact CB-CB 4.07Å; K76-P289 HydrophobicContact CB-CG 3.92Å; K76-P289 HydrophobicContact CD-CB 4.46Å; K76-P289 HydrophobicContact CD-CG 4.39Å; L77-P289 HydrophobicContact CD1-CB 3.95Å; L77-P289 HydrophobicContact CG-CB 4.28Å; L79-P289 HydrophobicContact CD1-CG 3.9Å; P289-T293 WeakPolarHBondContact O-CG2 3.23Å; P289-T293 PolarHBondContact O-N 2.89Å; P289-T293 VanDerWaalsContact O-N 3.16Å; P289-T293 PolarHBondContact O-OG1 2.95Å; P289-T293 VanDerWaalsContact O-OG1 3.09Å
290	S	88.1	Confident	92	Very high	40 Å²	40	32.2 Å²	32.2	28%	0.28	16%	0.163	S	C	.	.	H	α-helix	trans	-66.8	-47.5	179.3	45.1	0	0	0	0	110.8	N287 L288 L292 T293 D294	N287-S290 PolarHBondContact O-N 3.21Å; N287-S290 PolarHBondContact O-OG 3.49Å; L288-S290 PolarHBondContact O-N 2.83Å; S290-L292 VanDerWaalsContact C-N 3.33Å; S290-L292 PolarHBondContact O-N 3.04Å; S290-T293 WeakPolarHBondContact CA-OG1 3.41Å; S290-T293 CarbonylContact O-C 3.56Å; S290-T293 PolarHBondContact O-N 3.28Å; S290-T293 PolarHBondContact O-OG1 3.2Å; S290-D294 PolarHBondContact O-N 3.35Å
291	A	85.4	Confident	92.1	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-58	-43.9	178.3	0	0	0	0	0	111.7	W274 N287 L288 T293 D294 E295 L296 W298	W274-A291 HydrophobicContact CH2-CB 3.68Å; W274-A291 HydrophobicContact CZ2-CB 4.17Å; N287-A291 WeakPolarHBondContact O-CB 3.04Å; N287-A291 PolarHBondContact O-N 2.88Å; L288-A291 PolarHBondContact O-N 3.49Å; A291-T293 VanDerWaalsContact C-N 3.34Å; A291-T293 PolarHBondContact O-N 2.9Å; A291-D294 CarbonylContact O-C 3.55Å; A291-D294 PolarHBondContact O-N 3.38Å; A291-D294 VanDerWaalsContact O-N 3.14Å; A291-E295 PolarHBondContact O-N 2.82Å; A291-L296 HydrophobicContact CB-CD2 4.22Å; A291-L296 WeakPolarHBondContact O-CA 3.47Å; A291-L296 PolarHBondContact O-N 2.97Å; A291-W298 HydrophobicContact CB-CH2 4.26Å; A291-W298 HydrophobicContact CB-CZ2 3.66Å
292	L	80.4	Confident	92.1	Very high	13 Å²	13	30.8 Å²	30.8	7%	0.068	15%	0.152	C	C	.	.	H	α-helix	trans	-61.2	-41.5	175.2	-72.2	174.5	0	0	0	112.4	F14 L77 L79 L288 S290 D294 E295 L296	F14-L292 HydrophobicContact CE2-CD1 4.41Å; L77-L292 HydrophobicContact CD1-CB 4.36Å; L77-L292 HydrophobicContact CD1-CD1 4.46Å; L79-L292 HydrophobicContact CD1-CD1 4.44Å; L79-L292 HydrophobicContact CD2-CD1 3.89Å; L288-L292 HydrophobicContact CD1-CD1 3.93Å; L288-L292 HydrophobicContact CD1-CD2 4.4Å; L288-L292 HydrophobicContact CD1-CG 3.91Å; L288-L292 HydrophobicContact CG-CD1 4.03Å; L288-L292 HydrophobicContact CG-CG 4.42Å; L288-L292 WeakPolarHBondContact O-CB 3.02Å; L288-L292 VanDerWaalsContact O-CG 3.28Å; L288-L292 WeakPolarHBondContact O-CG 3.42Å; L288-L292 PolarHBondContact O-N 3.21Å; S290-L292 VanDerWaalsContact C-N 3.33Å; S290-L292 PolarHBondContact O-N 3.04Å; L292-D294 PolarHBondContact O-N 3.43Å; L292-E295 PolarHBondContact O-N 3Å; L292-L296 HydrophobicContact CD2-CD2 4.16Å
293	T	84.1	Confident	92.2	Very high	20 Å²	20	26.7 Å²	26.7	12%	0.123	13%	0.131	C	C	.	.	H	α-helix	trans	-74.5	-11.3	177.4	55.1	0	0	0	0	114.3	L77 T195 L196 P289 S290 A291	L77-T293 HydrophobicContact CD1-CG2 4.06Å; L77-T293 HydrophobicContact CD2-CG2 4.47Å; T195-T293 WeakPolarHBondContact CB-OG1 3.36Å; T195-T293 WeakPolarHBondContact CG2-OG1 3.08Å; T195-T293 WeakPolarHBondContact OG1-CB 3.42Å; T195-T293 PolarHBondContact OG1-OG1 3.04Å; L196-T293 WeakPolarHBondContact CA-O 3.48Å; L196-T293 HydrophobicContact CD2-CG2 4.14Å; L196-T293 HydrophobicContact CG-CG2 4.38Å; L196-T293 PolarHBondContact N-O 3.34Å; P289-T293 WeakPolarHBondContact O-CG2 3.23Å; P289-T293 PolarHBondContact O-N 2.89Å; P289-T293 VanDerWaalsContact O-N 3.16Å; P289-T293 PolarHBondContact O-OG1 2.95Å; P289-T293 VanDerWaalsContact O-OG1 3.09Å; S290-T293 WeakPolarHBondContact CA-OG1 3.41Å; S290-T293 CarbonylContact O-C 3.56Å; S290-T293 PolarHBondContact O-N 3.28Å; S290-T293 PolarHBondContact O-OG1 3.2Å; A291-T293 VanDerWaalsContact C-N 3.34Å; A291-T293 PolarHBondContact O-N 2.9Å
294	D	91.1	Very high	92.3	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	19.1	170.4	-76	-35	0	0	0	112.2	T195 L196 H200 W201 S290 A291 L292 L296 N297	T195-D294 WeakPolarHBondContact CA-OD1 3.37Å; T195-D294 VanDerWaalsContact CB-OD1 3.3Å; T195-D294 WeakPolarHBondContact CB-OD1 3.48Å; T195-D294 WeakPolarHBondContact CG2-OD2 3.29Å; L196-D294 PolarHBondContact N-OD1 3.07Å; H200-D294 IonicContact CE1-OD2 3.33Å; H200-D294 IonicContact CG-OD2 3.03Å; H200-D294 IonicContact ND1-OD2 2.8Å; H200-D294 PolarHBondContact ND1-OD2 3.49Å; W201-D294 HydrophobicContact CZ2-CB 4.24Å; W201-D294 WeakPolarHBondContact CZ2-O 3.45Å; W201-D294 PolarHBondContact NE1-OD1 2.82Å; S290-D294 PolarHBondContact O-N 3.35Å; A291-D294 CarbonylContact O-C 3.55Å; A291-D294 PolarHBondContact O-N 3.38Å; A291-D294 VanDerWaalsContact O-N 3.14Å; L292-D294 PolarHBondContact O-N 3.43Å; D294-L296 PolarHBondContact O-N 3.49Å; D294-N297 WeakPolarHBondContact CB-O 3.39Å; D294-N297 VanDerWaalsContact O-CB 3.25Å; D294-N297 WeakPolarHBondContact O-CB 3.5Å; D294-N297 PolarHBondContact O-N 3.5Å; D294-N297 PolarHBondContact O-ND2 3.13Å
295	E	88.2	Confident	92.4	Very high	28 Å²	28	19.6 Å²	19.6	13%	0.131	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	33.1	175.1	-51.2	164.5	-143.2	0	0	112	V176 R197 A291 L292 N297 N340	V176-E295 HydrophobicContact CG1-CG 4.41Å; R197-E295 IonicContact CZ-OE1 2.96Å; R197-E295 VanDerWaalsContact CZ-OE1 3.25Å; R197-E295 IonicContact CZ-OE2 2.7Å; R197-E295 IonicContact NE-OE1 2.71Å; R197-E295 PolarHBondContact NE-OE1 2.78Å; R197-E295 IonicContact NE-OE2 3.52Å; R197-E295 IonicContact NH2-OE1 3.96Å; R197-E295 PolarHBondContact NH2-OE1 2.89Å; R197-E295 IonicContact NH2-OE2 2.78Å; R197-E295 PolarHBondContact NH2-OE2 3.5Å; A291-E295 PolarHBondContact O-N 2.82Å; L292-E295 PolarHBondContact O-N 3Å; E295-N297 PolarHBondContact O-N 3.44Å; E295-N297 PolarHBondContact O-ND2 3.27Å; E295-N297 VanDerWaalsContact O-ND2 3.1Å; E295-N340 PolarHBondContact O-ND2 3.1Å
296	L	89.7	Confident	92.8	Very high	9 Å²	9	19.3 Å²	19.3	5%	0.047	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	18.3	-173.8	-57.4	171.9	0	0	0	114.5	F268 H269 I270 W274 A291 L292 D294	F268-L296 WeakPolarHBondContact CA-O 3.36Å; F268-L296 HydrophobicContact CD2-CB 3.99Å; F268-L296 HydrophobicContact CE2-CB 3.54Å; F268-L296 HydrophobicContact CE2-CD1 4.06Å; F268-L296 HydrophobicContact CE2-CG 4.42Å; F268-L296 HydrophobicContact CZ-CB 4.06Å; F268-L296 HydrophobicContact CZ-CD1 4Å; H269-L296 PolarHBondContact N-O 3.23Å; I270-L296 HydrophobicContact CD1-CD1 4.25Å; I270-L296 HydrophobicContact CG1-CD1 4.12Å; W274-L296 HydrophobicContact CH2-CD2 4.05Å; W274-L296 HydrophobicContact CZ3-CD2 3.9Å; A291-L296 HydrophobicContact CB-CD2 4.22Å; A291-L296 WeakPolarHBondContact O-CA 3.47Å; A291-L296 PolarHBondContact O-N 2.97Å; L292-L296 HydrophobicContact CD2-CD2 4.16Å; D294-L296 PolarHBondContact O-N 3.49Å
297	N	96.6	Very high	92.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.076	C	C	.	.	B	Isolated β-bridge	trans	-96.1	156.6	174	-61.2	-67.2	0	0	0	111.7	W201 A266 D294 E295 P299 N340	W201-N297 HydrophobicContact CH2-CB 3.67Å; W201-N297 HydrophobicContact CZ2-CB 4.08Å; A266-N297 HydrophobicContact CB-CB 3.85Å; A266-N297 VanDerWaalsContact CB-OD1 3.32Å; A266-N297 WeakPolarHBondContact CB-OD1 3.29Å; A266-N297 WeakPolarHBondContact O-CB 3.32Å; D294-N297 WeakPolarHBondContact CB-O 3.39Å; D294-N297 VanDerWaalsContact O-CB 3.25Å; D294-N297 WeakPolarHBondContact O-CB 3.5Å; D294-N297 PolarHBondContact O-N 3.5Å; D294-N297 PolarHBondContact O-ND2 3.13Å; E295-N297 PolarHBondContact O-N 3.44Å; E295-N297 PolarHBondContact O-ND2 3.27Å; E295-N297 VanDerWaalsContact O-ND2 3.1Å; N297-P299 VanDerWaalsContact C-CD 3.41Å; N297-N340 PolarHBondContact ND2-ND2 3.28Å; N297-N340 PolarHBondContact ND2-OD1 3.28Å; N297-N340 PolarHBondContact OD1-OD1 2.95Å
298	W	98.6	Very high	93.2	Very high	27 Å²	27	15.7 Å²	15.7	10%	0.102	9%	0.086	C	C	.	.			trans	-133.4	56.9	-179.4	-55.3	75.8	0	0	0	110	A266 H267 H269 P271 N287 A291 Q300 L301 S302	A266-W298 CarbonylContact O-C 3.57Å; A266-W298 PolarHBondContact O-N 2.89Å; H267-W298 HydrophobicContact CB-CB 4.48Å; H267-W298 PolarHBondContact O-N 3.47Å; H269-W298 HydrophobicContact CB-CG 4.44Å; H269-W298 AromaticContact CD2-CE2 3.82Å; H269-W298 AromaticContact CD2-NE1 3.65Å; H269-W298 PolarHBondContact O-NE1 3.32Å; P271-W298 HydrophobicContact CG-CZ2 4.07Å; N287-W298 HydrophobicContact CB-CH2 3.73Å; N287-W298 HydrophobicContact CB-CZ3 4.41Å; A291-W298 HydrophobicContact CB-CH2 4.26Å; A291-W298 HydrophobicContact CB-CZ2 3.66Å; W298-Q300 PolarHBondContact O-N 3.33Å; W298-Q300 VanDerWaalsContact O-N 3.09Å; W298-L301 HydrophobicContact CB-CB 4.39Å; W298-L301 HydrophobicContact CE3-CD1 4.12Å; W298-L301 CarbonylContact O-C 3.59Å; W298-L301 WeakPolarHBondContact O-CA 3.42Å; W298-L301 PolarHBondContact O-N 3.19Å; W298-S302 PolarHBondContact O-N 3.38Å
299	P	98.6	Very high	93.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-57.7	-28.4	-176.6	24.4	-35.7	0	0	0	112.9	H200 W201 A266 N297 L301 S302 T305 G306	H200-P299 HydrophobicContact CB-CG 4.23Å; H200-P299 WeakPolarHBondContact O-CB 3.28Å; H200-P299 WeakPolarHBondContact O-CG 3.23Å; W201-P299 HydrophobicContact CD2-CB 4.47Å; W201-P299 HydrophobicContact CD2-CG 3.7Å; W201-P299 HydrophobicContact CE3-CB 4.23Å; W201-P299 HydrophobicContact CE3-CG 3.87Å; W201-P299 HydrophobicContact CG-CG 4.05Å; W201-P299 HydrophobicContact CH2-CG 4.45Å; W201-P299 HydrophobicContact CZ2-CG 4.29Å; W201-P299 HydrophobicContact CZ3-CG 4.23Å; A266-P299 VanDerWaalsContact O-N 3.16Å; N297-P299 VanDerWaalsContact C-CD 3.41Å; P299-L301 PolarHBondContact O-N 3.4Å; P299-S302 WeakPolarHBondContact O-CB 3.45Å; P299-S302 PolarHBondContact O-N 2.97Å; P299-S302 VanDerWaalsContact O-N 3.16Å; P299-S302 PolarHBondContact O-OG 3.48Å; P299-T305 CarbonylContact O-C 3.53Å; P299-T305 PolarHBondContact O-OG1 2.78Å; P299-G306 WeakPolarHBondContact O-CA 2.94Å; P299-G306 PolarHBondContact O-N 3.48Å
300	Q	98.8	Very high	94.3	Very high	8 Å²	8	21.4 Å²	21.4	4%	0.037	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-66.4	-13.2	174.2	73	-76.9	6.2	0	0	114.6	H200 W298 G306 F307 L308	H200-Q300 HydrophobicContact CB-CB 4.29Å; H200-Q300 PolarHBondContact O-N 3.5Å; W298-Q300 PolarHBondContact O-N 3.33Å; W298-Q300 VanDerWaalsContact O-N 3.09Å; Q300-G306 CarbonylContact O-C 3.45Å; Q300-G306 VanDerWaalsContact O-CA 3.22Å; Q300-G306 WeakPolarHBondContact O-CA 3.46Å; Q300-F307 HydrophobicContact CB-CD1 3.98Å; Q300-F307 HydrophobicContact CB-CE1 3.32Å; Q300-F307 HydrophobicContact CB-CE2 4.34Å; Q300-F307 HydrophobicContact CB-CZ 3.53Å; Q300-F307 PolarHBondContact O-N 3.39Å; Q300-L308 HydrophobicContact CB-CD1 4.16Å; Q300-L308 HydrophobicContact CB-CG 4.19Å; Q300-L308 HydrophobicContact CG-CD1 3.53Å; Q300-L308 HydrophobicContact CG-CG 4.1Å; Q300-L308 PolarHBondContact O-N 3.48Å; Q300-L308 VanDerWaalsContact O-N 3.1Å
301	L	98.8	Very high	94.5	Very high	17 Å²	17	24.8 Å²	24.8	9%	0.089	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-117.4	3.7	173.8	-69	170.4	0	0	0	112.6	W298 P299 L308 D309 T311	W298-L301 HydrophobicContact CB-CB 4.39Å; W298-L301 HydrophobicContact CE3-CD1 4.12Å; W298-L301 CarbonylContact O-C 3.59Å; W298-L301 WeakPolarHBondContact O-CA 3.42Å; W298-L301 PolarHBondContact O-N 3.19Å; P299-L301 PolarHBondContact O-N 3.4Å; L301-L308 HydrophobicContact CD2-CB 3.84Å; L301-D309 WeakPolarHBondContact CD2-O 3.4Å; L301-T311 HydrophobicContact CD1-CG2 4.02Å
302	S	98.8	Very high	94.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	-69.7	155.4	-177.1	71.4	0	0	0	0	113.2	W298 P299 V304 T305 G306 S318	W298-S302 PolarHBondContact O-N 3.38Å; P299-S302 WeakPolarHBondContact O-CB 3.45Å; P299-S302 PolarHBondContact O-N 2.97Å; P299-S302 VanDerWaalsContact O-N 3.16Å; P299-S302 PolarHBondContact O-OG 3.48Å; S302-V304 PolarHBondContact O-N 2.92Å; S302-T305 PolarHBondContact OG-N 3.46Å; S302-T305 VanDerWaalsContact OG-N 3.09Å; S302-T305 PolarHBondContact OG-OG1 3.17Å; S302-G306 WeakPolarHBondContact O-CA 3.24Å; S302-G306 PolarHBondContact O-N 3.38Å; S302-G306 PolarHBondContact OG-N 2.88Å; S302-S318 WeakPolarHBondContact O-CB 3.49Å
303	G	98.6	Very high	95	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.01	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-23.1	175.6	0	0	0	0	0	114.5	S318 I319 S536 A540	G303-S318 CarbonylContact O-C 3.32Å; G303-S318 WeakPolarHBondContact O-CA 3.44Å; G303-S318 VanDerWaalsContact O-CB 3.31Å; G303-S318 WeakPolarHBondContact O-CB 3.38Å; G303-I319 PolarHBondContact O-N 2.92Å; G303-S536 WeakPolarHBondContact CA-OG 3.38Å; G303-S536 PolarHBondContact N-OG 3.47Å; G303-A540 WeakPolarHBondContact O-CB 3.46Å
304	V	98.8	Very high	95.5	Very high	21 Å²	21	30 Å²	30	13%	0.127	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-53.4	-178.9	-175.5	0	0	0	0	111.6	I257 L259 S302 I319 Y320 I367	I257-V304 HydrophobicContact CD1-CG1 4.14Å; I257-V304 HydrophobicContact CG1-CG1 3.8Å; L259-V304 HydrophobicContact CB-CB 4.45Å; L259-V304 HydrophobicContact CB-CG1 4Å; L259-V304 HydrophobicContact CD1-CG1 4.44Å; L259-V304 HydrophobicContact CD1-CG2 4.19Å; L259-V304 HydrophobicContact CD2-CB 4.03Å; L259-V304 HydrophobicContact CD2-CG1 4.46Å; L259-V304 HydrophobicContact CD2-CG2 4.12Å; S302-V304 PolarHBondContact O-N 2.92Å; V304-I319 HydrophobicContact CG1-CB 4.45Å; V304-I319 HydrophobicContact CG1-CD1 4.34Å; V304-I319 HydrophobicContact CG2-CD1 4.27Å; V304-I319 PolarHBondContact O-N 3.1Å; V304-Y320 WeakPolarHBondContact O-CB 3.18Å; V304-Y320 PolarHBondContact O-N 2.89Å; V304-I367 HydrophobicContact CG1-CD1 4.13Å
305	T	98.9	Very high	95.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	2	-171.5	61.1	0	0	0	0	113.9	L259 P299 S302 F307	L259-T305 HydrophobicContact CB-CG2 4.33Å; P299-T305 CarbonylContact O-C 3.53Å; P299-T305 PolarHBondContact O-OG1 2.78Å; S302-T305 PolarHBondContact OG-N 3.46Å; S302-T305 VanDerWaalsContact OG-N 3.09Å; S302-T305 PolarHBondContact OG-OG1 3.17Å; T305-F307 PolarHBondContact O-N 3.38Å
306	G	98.8	Very high	96.1	Very high	5 Å²	5	37.6 Å²	37.6	5%	0.052	22%	0.219	C	C	.	.			trans	-60.1	137.1	-176.9	0	0	0	0	0	112.8	P299 Q300 S302 S318	P299-G306 WeakPolarHBondContact O-CA 2.94Å; P299-G306 PolarHBondContact O-N 3.48Å; Q300-G306 CarbonylContact O-C 3.45Å; Q300-G306 VanDerWaalsContact O-CA 3.22Å; Q300-G306 WeakPolarHBondContact O-CA 3.46Å; S302-G306 WeakPolarHBondContact O-CA 3.24Å; S302-G306 PolarHBondContact O-N 3.38Å; S302-G306 PolarHBondContact OG-N 2.88Å; G306-S318 VanDerWaalsContact O-CB 3.29Å; G306-S318 WeakPolarHBondContact O-CB 3.31Å; G306-S318 PolarHBondContact O-OG 3.39Å
307	F	98.7	Very high	96.5	Very high	18 Å²	18	40 Å²	40	8%	0.079	23%	0.229	C	C	.	.			trans	-130.6	-15.4	-177.9	63.6	-96.3	0	0	0	113.1	Y199 Q300 T305 Y320 Y334 H575	Y199-F307 HydrophobicContact CD2-CZ 4.02Å; Y199-F307 HydrophobicContact CE2-CZ 4.3Å; Y199-F307 WeakPolarHBondContact O-CE1 3.22Å; Q300-F307 HydrophobicContact CB-CD1 3.98Å; Q300-F307 HydrophobicContact CB-CE1 3.32Å; Q300-F307 HydrophobicContact CB-CE2 4.34Å; Q300-F307 HydrophobicContact CB-CZ 3.53Å; Q300-F307 PolarHBondContact O-N 3.39Å; T305-F307 PolarHBondContact O-N 3.38Å; F307-Y320 HydrophobicContact CB-CD1 3.86Å; F307-Y320 HydrophobicContact CB-CE1 3.59Å; F307-Y334 HydrophobicContact CD1-CE1 4.18Å; F307-Y334 AromaticContact CD1-CE2 3.85Å; F307-Y334 HydrophobicContact CD1-CE2 3.85Å; F307-Y334 AromaticContact CD1-CZ 3.52Å; F307-Y334 WeakPolarHBondContact CD1-OH 3.25Å; F307-Y334 AromaticContact CE1-CE2 3.98Å; F307-Y334 HydrophobicContact CE1-CE2 3.98Å; F307-Y334 AromaticContact CE1-CZ 3.73Å; F307-Y334 WeakPolarHBondContact CE1-OH 3.16Å; F307-H575 HydrophobicContact CD2-CB 3.46Å; F307-H575 VanDerWaalsContact CD2-CB 3.46Å; F307-H575 AromaticContact CD2-CG 3.62Å; F307-H575 HydrophobicContact CE2-CB 3.65Å; F307-H575 HydrophobicContact CG-CB 4.23Å
308	L	98.3	Very high	96.6	Very high	89 Å²	89	40.2 Å²	40.2	47%	0.466	23%	0.231	S	C	.	.	S	Bend	trans	-78.9	161.4	171.1	-63.5	-175.3	0	0	0	110.7	Q300 L301	Q300-L308 HydrophobicContact CB-CD1 4.16Å; Q300-L308 HydrophobicContact CB-CG 4.19Å; Q300-L308 HydrophobicContact CG-CD1 3.53Å; Q300-L308 HydrophobicContact CG-CG 4.1Å; Q300-L308 PolarHBondContact O-N 3.48Å; Q300-L308 VanDerWaalsContact O-N 3.1Å; L301-L308 HydrophobicContact CD2-CB 3.84Å
309	D	96.5	Very high	96.7	Very high	129 Å²	129	39.2 Å²	39.2	69%	0.69	23%	0.227	S	C	*	.	P	Polyproline II helix	trans	-63.7	136.5	171.6	-75.2	-45.9	0	0	0	111.3	L301 K317	L301-D309 WeakPolarHBondContact CD2-O 3.4Å; D309-K317 IonicContact OD1-NZ 3.72Å; D309-K317 PolarHBondContact OD1-NZ 3.49Å
310	S	93.9	Very high	96.7	Very high	23 Å²	23	39.3 Å²	39.3	16%	0.161	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-61.9	137.4	-179.5	174.7	0	0	0	0	111.2	S312 E533	S310-S312 VanDerWaalsContact C-N 3.28Å; S310-S312 PolarHBondContact OG-N 3.32Å; S310-S312 PolarHBondContact OG-OG 2.99Å; S310-E533 WeakPolarHBondContact CA-OE1 3.44Å; S310-E533 WeakPolarHBondContact CB-OE1 3.34Å; S310-E533 PolarHBondContact OG-OE1 3.43Å
311	T	92.8	Very high	96.7	Very high	111 Å²	111	42.1 Å²	42.1	68%	0.681	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-26.4	175.7	72.9	0	0	0	0	112.1	L301 E533	L301-T311 HydrophobicContact CD1-CG2 4.02Å; T311-E533 WeakPolarHBondContact CB-OE2 3.43Å; T311-E533 PolarHBondContact N-OE1 2.7Å; T311-E533 PolarHBondContact N-OE2 2.88Å; T311-E533 PolarHBondContact OG1-OE2 2.96Å
312	S	89	Confident	96.7	Very high	45 Å²	45	43.3 Å²	43.3	32%	0.315	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-18.6	-178.3	72.4	0	0	0	0	114.2	S310 I314 V534	S310-S312 VanDerWaalsContact C-N 3.28Å; S310-S312 PolarHBondContact OG-N 3.32Å; S310-S312 PolarHBondContact OG-OG 2.99Å; S312-I314 PolarHBondContact O-N 3.13Å; S312-I314 WeakPolarHBondContact OG-CG1 3.47Å; S312-V534 VanDerWaalsContact CB-CG2 3.48Å
313	G	88.4	Confident	96.7	Very high	69 Å²	69	43.4 Å²	43.4	71%	0.711	24%	0.244	S	C	*	.			trans	70.3	10.9	-178.6	0	0	0	0	0	115.3
314	I	93.1	Very high	96.7	Very high	28 Å²	28	45.4 Å²	45.4	14%	0.144	25%	0.251	C	S	.	.			trans	-70.3	156.3	173.9	71.2	-178.4	0	0	0	111.3	S312 E316 V534 L537	S312-I314 PolarHBondContact O-N 3.13Å; S312-I314 WeakPolarHBondContact OG-CG1 3.47Å; I314-E316 VanDerWaalsContact C-N 3.32Å; I314-E316 HydrophobicContact CD1-CB 4.16Å; I314-E316 HydrophobicContact CG1-CB 4.29Å; I314-E316 PolarHBondContact O-N 3.24Å; I314-V534 HydrophobicContact CD1-CB 4.47Å; I314-V534 HydrophobicContact CD1-CG1 4.17Å; I314-L537 HydrophobicContact CD1-CB 3.82Å; I314-L537 HydrophobicContact CD1-CD1 3.87Å; I314-L537 HydrophobicContact CG1-CD1 4.02Å
315	E	95.6	Very high	96.7	Very high	177 Å²	177	51.3 Å²	51.3	83%	0.827	28%	0.275	S	S	*	.	S	Bend	trans	-69.8	-31.3	-177.5	-171.1	-177.4	172.3	0	0	112.3	K317	E315-K317 PolarHBondContact O-N 3.24Å
316	E	97.4	Very high	96.7	Very high	13 Å²	13	53.6 Å²	53.6	6%	0.061	28%	0.284	C	S	.	.			trans	-58	129.8	-178.4	-73.9	75.6	-169.2	0	0	112.3	I314 R515 L537 L538 D541	I314-E316 VanDerWaalsContact C-N 3.32Å; I314-E316 HydrophobicContact CD1-CB 4.16Å; I314-E316 HydrophobicContact CG1-CB 4.29Å; I314-E316 PolarHBondContact O-N 3.24Å; E316-R515 IonicContact OE1-CZ 3.64Å; E316-R515 IonicContact OE1-NH1 2.92Å; E316-R515 PolarHBondContact OE1-NH1 3.35Å; E316-R515 IonicContact OE1-NH2 2.86Å; E316-R515 PolarHBondContact OE1-NH2 3.07Å; E316-R515 IonicContact OE2-CZ 2.69Å; E316-R515 IonicContact OE2-NH1 3.65Å; E316-R515 PolarHBondContact OE2-NH1 3.02Å; E316-L537 HydrophobicContact CB-CB 4.06Å; E316-L538 HydrophobicContact CG-CD2 4.23Å; E316-D541 HydrophobicContact CB-CB 4.49Å; E316-D541 HydrophobicContact CG-CB 3.68Å
317	K	98.4	Very high	96.7	Very high	59 Å²	59	53.5 Å²	53.5	26%	0.257	28%	0.282	S	S	.	.			trans	-109.2	162.4	174.2	-59.1	-64	-172.9	173.7	0	111.3	D309 E315 H321 R322	D309-K317 IonicContact OD1-NZ 3.72Å; D309-K317 PolarHBondContact OD1-NZ 3.49Å; E315-K317 PolarHBondContact O-N 3.24Å; K317-H321 HydrophobicContact CB-CB 3.9Å; K317-R322 PolarHBondContact O-NE 2.04Å; K317-R322 PolarHBondContact O-NH2 3.36Å
318	S	98.8	Very high	96.7	Very high	5 Å²	5	53 Å²	53	4%	0.035	28%	0.28	C	S	.	.			trans	-62.2	165.1	177.4	73.5	0	0	0	0	113.2	S302 G303 G306 Y320 H321 R322	S302-S318 WeakPolarHBondContact O-CB 3.49Å; G303-S318 CarbonylContact O-C 3.32Å; G303-S318 WeakPolarHBondContact O-CA 3.44Å; G303-S318 VanDerWaalsContact O-CB 3.31Å; G303-S318 WeakPolarHBondContact O-CB 3.38Å; G306-S318 VanDerWaalsContact O-CB 3.29Å; G306-S318 WeakPolarHBondContact O-CB 3.31Å; G306-S318 PolarHBondContact O-OG 3.39Å; S318-Y320 VanDerWaalsContact C-N 3.33Å; S318-Y320 PolarHBondContact O-N 3.12Å; S318-H321 PolarHBondContact O-N 2.96Å; S318-H321 WeakPolarHBondContact OG-CB 3.42Å; S318-H321 PolarHBondContact OG-N 2.8Å; S318-R322 VanDerWaalsContact O-CG 3.29Å; S318-R322 WeakPolarHBondContact O-CG 3.1Å; S318-R322 PolarHBondContact O-N 3.47Å
319	I	98.9	Very high	96.7	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.026	26%	0.261	C	S	.	.	H	α-helix	trans	-60.1	-44	173.5	-61.3	-179.3	0	0	0	110.7	I257 G303 V304 R322 L323 I367 A540 V543 W544	I257-I319 HydrophobicContact CD1-CG2 3.87Å; I257-I319 HydrophobicContact CG1-CG2 4.02Å; G303-I319 PolarHBondContact O-N 2.92Å; V304-I319 HydrophobicContact CG1-CB 4.45Å; V304-I319 HydrophobicContact CG1-CD1 4.34Å; V304-I319 HydrophobicContact CG2-CD1 4.27Å; V304-I319 PolarHBondContact O-N 3.1Å; I319-R322 PolarHBondContact O-N 3.45Å; I319-L323 WeakPolarHBondContact O-CB 3.35Å; I319-L323 PolarHBondContact O-N 2.9Å; I319-I367 HydrophobicContact CD1-CD1 3.49Å; I319-I367 VanDerWaalsContact CD1-CD1 3.49Å; I319-A540 HydrophobicContact CG1-CB 3.99Å; I319-V543 HydrophobicContact CD1-CB 4.24Å; I319-V543 HydrophobicContact CD1-CG1 3.79Å; I319-W544 HydrophobicContact CG2-CE3 4.44Å
320	Y	98.9	Very high	96.8	Very high	3 Å²	3	43.3 Å²	43.3	1%	0.012	23%	0.229	C	C	.	.	H	α-helix	trans	-56.1	-51.5	174.6	166.7	-113.8	0	0	0	112	I257 V304 F307 S318 R322 L323 R324 H331 R332 Y334 H575	I257-Y320 HydrophobicContact CG2-CD2 4.05Å; I257-Y320 HydrophobicContact CG2-CG 4.35Å; V304-Y320 WeakPolarHBondContact O-CB 3.18Å; V304-Y320 PolarHBondContact O-N 2.89Å; F307-Y320 HydrophobicContact CB-CD1 3.86Å; F307-Y320 HydrophobicContact CB-CE1 3.59Å; S318-Y320 VanDerWaalsContact C-N 3.33Å; S318-Y320 PolarHBondContact O-N 3.12Å; Y320-R322 VanDerWaalsContact C-N 3.27Å; Y320-R322 PolarHBondContact O-N 2.6Å; Y320-L323 PolarHBondContact O-N 3.43Å; Y320-L323 VanDerWaalsContact O-N 3.09Å; Y320-R324 HydrophobicContact CE2-CB 4.43Å; Y320-R324 PolarHBondContact O-N 3.38Å; Y320-H331 PolarHBondContact OH-ND1 2.84Å; Y320-R332 WeakPolarHBondContact OH-CA 3.36Å; Y320-R332 PolarHBondContact OH-N 3.32Å; Y320-Y334 HydrophobicContact CD1-CD1 4.04Å; Y320-Y334 HydrophobicContact CD1-CG 4.46Å; Y320-Y334 AromaticContact CD2-CD1 3.85Å; Y320-Y334 HydrophobicContact CD2-CD1 3.85Å; Y320-Y334 HydrophobicContact CD2-CG 4.19Å; Y320-Y334 AromaticContact CE1-CD1 3.81Å; Y320-Y334 HydrophobicContact CE1-CD1 3.81Å; Y320-Y334 HydrophobicContact CE1-CE1 4.08Å; Y320-Y334 AromaticContact CE2-CD1 3.61Å; Y320-Y334 HydrophobicContact CE2-CD1 3.61Å; Y320-Y334 HydrophobicContact CE2-CE1 4.46Å; Y320-Y334 HydrophobicContact CE2-CG 4.39Å; Y320-Y334 HydrophobicContact CG-CD1 4.06Å; Y320-Y334 HydrophobicContact CG-CG 4.23Å; Y320-Y334 AromaticContact CZ-CD1 3.59Å; Y320-H575 AromaticContact CE1-CD2 3.91Å; Y320-H575 AromaticContact CE1-NE2 3.38Å; Y320-H575 WeakPolarHBondContact CE1-NE2 3.45Å; Y320-H575 AromaticContact CZ-NE2 3.48Å; Y320-H575 PolarHBondContact OH-CD2 3.03Å; Y320-H575 VanDerWaalsContact OH-CD2 3.31Å; Y320-H575 PolarHBondContact OH-NE2 3.46Å
321	H	98.8	Very high	97.1	Very high	66 Å²	66	42.3 Å²	42.3	31%	0.306	22%	0.222	S	C	.	.	H	α-helix	trans	-60.3	-38.9	-179.6	-177.4	-60.2	0	0	0	111.5	K317 S318 K325	K317-H321 HydrophobicContact CB-CB 3.9Å; S318-H321 PolarHBondContact O-N 2.96Å; S318-H321 WeakPolarHBondContact OG-CB 3.42Å; S318-H321 PolarHBondContact OG-N 2.8Å; H321-K325 VanDerWaalsContact O-CB 3.31Å; H321-K325 WeakPolarHBondContact O-CB 3.3Å; H321-K325 PolarHBondContact O-N 2.77Å
322	R	98.9	Very high	97.4	Very high	42 Å²	42	38 Å²	38	16%	0.158	19%	0.193	C	C	.	.	H	α-helix	trans	-69.1	-36.8	176.4	-67.2	171.3	-169.9	-109.9	3.3	112.3	K317 S318 I319 Y320 K325 R326 D541 W544	K317-R322 PolarHBondContact O-NE 2.04Å; K317-R322 PolarHBondContact O-NH2 3.36Å; S318-R322 VanDerWaalsContact O-CG 3.29Å; S318-R322 WeakPolarHBondContact O-CG 3.1Å; S318-R322 PolarHBondContact O-N 3.47Å; I319-R322 PolarHBondContact O-N 3.45Å; Y320-R322 VanDerWaalsContact C-N 3.27Å; Y320-R322 PolarHBondContact O-N 2.6Å; R322-K325 PolarHBondContact O-N 2.96Å; R322-R326 WeakPolarHBondContact O-CB 3.12Å; R322-R326 PolarHBondContact O-N 3.44Å; R322-D541 IonicContact CZ-OD1 3.62Å; R322-D541 VanDerWaalsContact CZ-OD1 3.23Å; R322-D541 IonicContact NH1-OD1 2.75Å; R322-D541 PolarHBondContact NH1-OD1 2.95Å; R322-D541 IonicContact NH2-OD1 3.82Å; R322-D541 PolarHBondContact NH2-OD1 2.75Å; R322-W544 HydrophobicContact CB-CD2 3.85Å; R322-W544 HydrophobicContact CB-CE3 3.61Å; R322-W544 HydrophobicContact CB-CH2 3.65Å; R322-W544 HydrophobicContact CB-CZ2 3.89Å; R322-W544 HydrophobicContact CB-CZ3 3.5Å; R322-W544 HydrophobicContact CG-CD2 4.36Å; R322-W544 HydrophobicContact CG-CE3 4.45Å
323	L	98.9	Very high	97.9	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-68.9	-41.3	177	-168.6	62.3	0	0	0	111.8	R255 I257 I319 Y320 R326 N327 N330 I365 W544	R255-L323 HydrophobicContact CG-CD1 4.14Å; R255-L323 HydrophobicContact CG-CD2 4.17Å; R255-L323 WeakPolarHBondContact O-CD2 3.43Å; I257-L323 HydrophobicContact CB-CD2 4.1Å; I257-L323 HydrophobicContact CG2-CD2 4.49Å; I319-L323 WeakPolarHBondContact O-CB 3.35Å; I319-L323 PolarHBondContact O-N 2.9Å; Y320-L323 PolarHBondContact O-N 3.43Å; Y320-L323 VanDerWaalsContact O-N 3.09Å; L323-R326 PolarHBondContact O-N 3.37Å; L323-N327 PolarHBondContact O-N 3.44Å; L323-N327 VanDerWaalsContact O-N 3.08Å; L323-N330 PolarHBondContact O-ND2 2.83Å; L323-I365 HydrophobicContact CD1-CD1 4.26Å; L323-I365 HydrophobicContact CD2-CD1 4.26Å; L323-W544 HydrophobicContact CB-CZ3 4.4Å
324	R	98.8	Very high	98.4	Very high	43 Å²	43	32.8 Å²	32.8	16%	0.162	15%	0.146	C	C	.	.	H	α-helix	trans	-62.4	-45.1	169.6	-177.8	-176.9	176.3	-86.2	-5.6	111.2	Y320 R326 N327 H328 H331	Y320-R324 HydrophobicContact CE2-CB 4.43Å; Y320-R324 PolarHBondContact O-N 3.38Å; R324-R326 VanDerWaalsContact C-N 3.26Å; R324-R326 PolarHBondContact O-N 3.3Å; R324-N327 CarbonylContact O-C 3.57Å; R324-N327 PolarHBondContact O-N 3Å; R324-N327 VanDerWaalsContact O-O 3.05Å; R324-H328 WeakPolarHBondContact O-CA 3.5Å; R324-H328 PolarHBondContact O-N 3.03Å; R324-H328 PolarHBondContact O-ND1 2.92Å; R324-H331 PolarHBondContact NE-ND1 3.39Å
325	K	98.8	Very high	98.6	Very high	145 Å²	145	31.5 Å²	31.5	63%	0.63	14%	0.139	S	C	*	.	H	α-helix	trans	-60.2	-37.8	177.6	-177	176	-179.9	176.4	0	112.1	H321 R322 N562	H321-K325 VanDerWaalsContact O-CB 3.31Å; H321-K325 WeakPolarHBondContact O-CB 3.3Å; H321-K325 PolarHBondContact O-N 2.77Å; R322-K325 PolarHBondContact O-N 2.96Å; K325-N562 PolarHBondContact O-ND2 2.92Å
326	R	98.8	Very high	98.8	Very high	48 Å²	48	23.1 Å²	23.1	18%	0.181	10%	0.1	C	C	.	.	H	α-helix	trans	-69.7	-39	178.6	-168.5	172.7	-171.6	86.8	-1.4	112	R322 L323 R324 W544 L555 G556 E558 N559 N562	R322-R326 WeakPolarHBondContact O-CB 3.12Å; R322-R326 PolarHBondContact O-N 3.44Å; L323-R326 PolarHBondContact O-N 3.37Å; R324-R326 VanDerWaalsContact C-N 3.26Å; R324-R326 PolarHBondContact O-N 3.3Å; R326-W544 HydrophobicContact CB-CH2 4.42Å; R326-L555 WeakPolarHBondContact CD-O 3.42Å; R326-L555 PolarHBondContact NE-O 2.98Å; R326-G556 PolarHBondContact NE-O 2.72Å; R326-G556 PolarHBondContact NH2-O 3.2Å; R326-E558 HydrophobicContact CG-CB 4.41Å; R326-E558 WeakPolarHBondContact O-CA 3.41Å; R326-N559 PolarHBondContact O-N 3.26Å; R326-N562 PolarHBondContact O-ND2 2.96Å; R326-N562 VanDerWaalsContact O-ND2 3.09Å
327	N	98.9	Very high	98.8	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.016	10%	0.098	C	C	.	.			trans	-147.5	111.7	174.7	178.3	2.3	0	0	0	109.7	S252 L323 R324 C329 N330 N559	S252-N327 VanDerWaalsContact CB-ND2 3.32Å; S252-N327 WeakPolarHBondContact CB-ND2 3.33Å; S252-N327 PolarHBondContact O-ND2 2.82Å; S252-N327 PolarHBondContact OG-ND2 3.4Å; L323-N327 PolarHBondContact O-N 3.44Å; L323-N327 VanDerWaalsContact O-N 3.08Å; R324-N327 CarbonylContact O-C 3.57Å; R324-N327 PolarHBondContact O-N 3Å; R324-N327 VanDerWaalsContact O-O 3.05Å; N327-C329 PolarHBondContact O-N 2.97Å; N327-C329 VanDerWaalsContact OD1-CB 3.29Å; N327-C329 WeakPolarHBondContact OD1-CB 3.41Å; N327-C329 PolarHBondContact OD1-N 3.17Å; N327-C329 VanDerWaalsContact OD1-N 3.09Å; N327-C329 PolarHBondContact OD1-SG 3.27Å; N327-N330 WeakPolarHBondContact O-CB 3.47Å; N327-N330 PolarHBondContact O-N 3.5Å; N327-N330 PolarHBondContact O-ND2 2.82Å; N327-N559 HydrophobicContact CB-CB 3.88Å; N327-N559 WeakPolarHBondContact OD1-CB 3.35Å; N327-N559 PolarHBondContact OD1-ND2 3.01Å
328	H	98.9	Very high	98.8	Very high	9 Å²	9	19.8 Å²	19.8	4%	0.042	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-65.6	-18.5	-176.3	-69.3	-10	0	0	0	113.8	R324 N330 H331 N562 I565 E566 Q572	R324-H328 WeakPolarHBondContact O-CA 3.5Å; R324-H328 PolarHBondContact O-N 3.03Å; R324-H328 PolarHBondContact O-ND1 2.92Å; H328-N330 PolarHBondContact O-N 3.49Å; H328-N330 VanDerWaalsContact O-N 3.08Å; H328-H331 WeakPolarHBondContact O-CB 3.25Å; H328-H331 PolarHBondContact O-N 3.22Å; H328-H331 VanDerWaalsContact O-N 3.08Å; H328-N562 PolarHBondContact CD2-O 2.65Å; H328-N562 PolarHBondContact N-OD1 3.11Å; H328-I565 HydrophobicContact CB-CB 4.33Å; H328-I565 HydrophobicContact CB-CD1 3.88Å; H328-I565 HydrophobicContact CB-CG2 3.88Å; H328-E566 IonicContact CD2-OE1 2.66Å; H328-E566 IonicContact CE1-OE1 3.25Å; H328-E566 IonicContact NE2-OE1 3.94Å; H328-E566 PolarHBondContact NE2-OE1 3.37Å; H328-Q572 PolarHBondContact O-NE2 3.07Å
329	C	98.9	Very high	98.7	Very high	8 Å²	8	20.5 Å²	20.5	5%	0.054	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-63.3	-12.2	171.4	-51.7	0	0	0	0	113.3	C249 P254 N327 H331 N559	C249-C329 WeakPolarHBondContact CA-SG 3.4Å; C249-C329 HydrophobicContact CB-CB 3.8Å; C249-C329 WeakPolarHBondContact CB-SG 3.32Å; C249-C329 WeakPolarHBondContact SG-CB 3.45Å; C249-C329 CovalentContact SG-SG 2.03Å; C249-C329 PolarHBondContact SG-SG 2.93Å; P254-C329 HydrophobicContact CB-CB 4.44Å; P254-C329 HydrophobicContact CG-CB 4.03Å; N327-C329 PolarHBondContact O-N 2.97Å; N327-C329 VanDerWaalsContact OD1-CB 3.29Å; N327-C329 WeakPolarHBondContact OD1-CB 3.41Å; N327-C329 PolarHBondContact OD1-N 3.17Å; N327-C329 VanDerWaalsContact OD1-N 3.09Å; N327-C329 PolarHBondContact OD1-SG 3.27Å; C329-H331 VanDerWaalsContact C-N 3.29Å; C329-N559 PolarHBondContact SG-ND2 3.43Å; C329-N559 VanDerWaalsContact SG-ND2 3.42Å
330	N	98.9	Very high	98.3	Very high	5 Å²	5	20.9 Å²	20.9	3%	0.027	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-87.2	8.1	174.9	-58.9	-35.4	0	0	0	113.3	P254 R255 L323 N327 H328 R332 D333	P254-N330 WeakPolarHBondContact CA-OD1 3.33Å; P254-N330 WeakPolarHBondContact CB-OD1 3.37Å; R255-N330 PolarHBondContact N-OD1 2.83Å; R255-N330 PolarHBondContact O-OD1 3.27Å; L323-N330 PolarHBondContact O-ND2 2.83Å; N327-N330 WeakPolarHBondContact O-CB 3.47Å; N327-N330 PolarHBondContact O-N 3.5Å; N327-N330 PolarHBondContact O-ND2 2.82Å; H328-N330 PolarHBondContact O-N 3.49Å; H328-N330 VanDerWaalsContact O-N 3.08Å; N330-R332 PolarHBondContact O-N 3.37Å; N330-D333 PolarHBondContact O-N 2.89Å; N330-D333 VanDerWaalsContact O-N 3.16Å
331	H	98.9	Very high	97.9	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.009	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	136.6	179	-177.4	54.6	0	0	0	111	N231 Y320 R324 H328 C329 D333 Q572 G574 H575	N231-H331 HydrophobicContact CB-CB 4.36Å; Y320-H331 PolarHBondContact OH-ND1 2.84Å; R324-H331 PolarHBondContact NE-ND1 3.39Å; H328-H331 WeakPolarHBondContact O-CB 3.25Å; H328-H331 PolarHBondContact O-N 3.22Å; H328-H331 VanDerWaalsContact O-N 3.08Å; C329-H331 VanDerWaalsContact C-N 3.29Å; H331-D333 PolarHBondContact O-N 2.83Å; H331-Q572 PolarHBondContact CD2-O 2.92Å; H331-Q572 PolarHBondContact NE2-O 3.39Å; H331-G574 PolarHBondContact CE1-O 3.06Å; H331-G574 VanDerWaalsContact CE1-O 3.27Å; H331-G574 PolarHBondContact NE2-O 3.01Å; H331-H575 AromaticContact CE1-CD2 3.83Å; H331-H575 AromaticContact CE1-CE1 3.61Å; H331-H575 AromaticContact CE1-NE2 3.47Å; H331-H575 PolarHBondContact CE1-NE2 3.14Å; H331-H575 AromaticContact ND1-CE1 3.98Å; H331-H575 AromaticContact ND1-NE2 3.59Å
332	R	98.9	Very high	97.9	Very high	21 Å²	21	18 Å²	18	8%	0.079	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	-6.7	-173.6	-57.6	-169.1	-175.4	168.8	3.5	117.3	G203 R204 P215 C230 Y320 N330 Y334 G573 G574	G203-R332 WeakPolarHBondContact CA-O 3.39Å; G203-R332 PolarHBondContact N-O 3.23Å; R204-R332 WeakPolarHBondContact O-CD 3.49Å; R204-R332 PolarHBondContact O-NH1 3.34Å; P215-R332 HydrophobicContact CB-CB 4.19Å; P215-R332 WeakPolarHBondContact CB-O 3.35Å; P215-R332 HydrophobicContact CG-CB 4.09Å; C230-R332 WeakPolarHBondContact O-CD 3.35Å; Y320-R332 WeakPolarHBondContact OH-CA 3.36Å; Y320-R332 PolarHBondContact OH-N 3.32Å; N330-R332 PolarHBondContact O-N 3.37Å; R332-Y334 VanDerWaalsContact O-CD1 3.32Å; R332-Y334 WeakPolarHBondContact O-CD1 3.42Å; R332-Y334 PolarHBondContact O-N 3.26Å; R332-G573 PolarHBondContact NH2-O 3.16Å; R332-G574 VanDerWaalsContact CZ-O 3.25Å; R332-G574 PolarHBondContact NE-O 3.03Å; R332-G574 PolarHBondContact NH2-O 3.27Å
333	D	98.9	Very high	97.8	Very high	5 Å²	5	16 Å²	16	3%	0.027	7%	0.071	C	C	.	.			trans	-78.1	64.4	-177.8	-162.3	3.3	0	0	0	113.1	G216 G256 I257 N330 H331 R356	G216-D333 WeakPolarHBondContact CA-OD2 3.48Å; G256-D333 VanDerWaalsContact CA-O 3.27Å; G256-D333 WeakPolarHBondContact CA-O 3.32Å; G256-D333 WeakPolarHBondContact CA-OD1 3.29Å; G256-D333 WeakPolarHBondContact CA-OD2 3.38Å; G256-D333 PolarHBondContact N-OD2 3.09Å; I257-D333 PolarHBondContact N-O 3.47Å; N330-D333 PolarHBondContact O-N 2.89Å; N330-D333 VanDerWaalsContact O-N 3.16Å; H331-D333 PolarHBondContact O-N 2.83Å; D333-R356 IonicContact OD1-CZ 3.94Å; D333-R356 IonicContact OD1-NH1 3.35Å; D333-R356 PolarHBondContact OD1-NH1 3.17Å; D333-R356 IonicContact OD1-NH2 3.36Å; D333-R356 IonicContact OD2-CZ 3.55Å; D333-R356 IonicContact OD2-NH1 2.74Å; D333-R356 PolarHBondContact OD2-NH1 3.48Å; D333-R356 IonicContact OD2-NH2 3.49Å; D333-R356 PolarHBondContact OD2-NH2 2.93Å
334	Y	98.9	Very high	97.8	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	148	173.3	64.9	-86.9	0	0	0	111.7	Y199 R202 G203 I257 F307 Y320 R332	Y199-Y334 PolarHBondContact O-OH 2.86Å; R202-Y334 CarbonylContact C-O 3.6Å; R202-Y334 VanDerWaalsContact CA-CE2 3.47Å; R202-Y334 WeakPolarHBondContact CA-O 3.39Å; R202-Y334 VanDerWaalsContact O-CE2 3.26Å; R202-Y334 WeakPolarHBondContact O-CE2 3.44Å; R202-Y334 PolarHBondContact O-OH 2.72Å; G203-Y334 PolarHBondContact N-O 2.86Å; G203-Y334 VanDerWaalsContact N-O 3.11Å; I257-Y334 CarbonylContact O-C 3.52Å; I257-Y334 VanDerWaalsContact O-CA 3.31Å; I257-Y334 WeakPolarHBondContact O-CA 3.46Å; F307-Y334 HydrophobicContact CD1-CE1 4.18Å; F307-Y334 AromaticContact CD1-CE2 3.85Å; F307-Y334 HydrophobicContact CD1-CE2 3.85Å; F307-Y334 AromaticContact CD1-CZ 3.52Å; F307-Y334 WeakPolarHBondContact CD1-OH 3.25Å; F307-Y334 AromaticContact CE1-CE2 3.98Å; F307-Y334 HydrophobicContact CE1-CE2 3.98Å; F307-Y334 AromaticContact CE1-CZ 3.73Å; F307-Y334 WeakPolarHBondContact CE1-OH 3.16Å; Y320-Y334 HydrophobicContact CD1-CD1 4.04Å; Y320-Y334 HydrophobicContact CD1-CG 4.46Å; Y320-Y334 AromaticContact CD2-CD1 3.85Å; Y320-Y334 HydrophobicContact CD2-CD1 3.85Å; Y320-Y334 HydrophobicContact CD2-CG 4.19Å; Y320-Y334 AromaticContact CE1-CD1 3.81Å; Y320-Y334 HydrophobicContact CE1-CD1 3.81Å; Y320-Y334 HydrophobicContact CE1-CE1 4.08Å; Y320-Y334 AromaticContact CE2-CD1 3.61Å; Y320-Y334 HydrophobicContact CE2-CD1 3.61Å; Y320-Y334 HydrophobicContact CE2-CE1 4.46Å; Y320-Y334 HydrophobicContact CE2-CG 4.39Å; Y320-Y334 HydrophobicContact CG-CD1 4.06Å; Y320-Y334 HydrophobicContact CG-CG 4.23Å; Y320-Y334 AromaticContact CZ-CD1 3.59Å; R332-Y334 VanDerWaalsContact O-CD1 3.32Å; R332-Y334 WeakPolarHBondContact O-CD1 3.42Å; R332-Y334 PolarHBondContact O-N 3.26Å
335	Q	98.9	Very high	97.8	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	119.5	171.7	-60.4	175.7	51.7	0	0	111.3	Y190 W201 R202 I257 I258 L259 I337 S355	Y190-Q335 HydrophobicContact CE1-CG 4.33Å; Y190-Q335 PolarHBondContact OH-NE2 2.96Å; W201-Q335 CarbonylContact O-C 3.36Å; R202-Q335 HydrophobicContact CB-CG 4.3Å; R202-Q335 HydrophobicContact CG-CB 4.24Å; R202-Q335 HydrophobicContact CG-CG 4.07Å; I257-Q335 PolarHBondContact O-N 3.31Å; I258-Q335 CarbonylContact C-O 3.38Å; I258-Q335 WeakPolarHBondContact CA-O 3.34Å; I258-Q335 HydrophobicContact CG1-CB 4.26Å; I258-Q335 HydrophobicContact CG2-CB 4.37Å; L259-Q335 PolarHBondContact N-O 2.75Å; Q335-I337 HydrophobicContact CB-CD1 4.11Å; Q335-I337 HydrophobicContact CB-CG1 4.29Å; Q335-S355 PolarHBondContact NE2-O 3.35Å; Q335-S355 PolarHBondContact OE1-O 2.86Å
336	S	98.8	Very high	97.6	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.014	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	95.1	166.5	175.8	0	0	0	0	109.1	W201 S338	W201-S336 PolarHBondContact O-N 2.93Å; S336-S338 PolarHBondContact O-N 3.14Å; S336-S338 WeakPolarHBondContact OG-CB 3.4Å; S336-S338 PolarHBondContact OG-OG 3.16Å; S336-S338 VanDerWaalsContact OG-OG 3.11Å
337	I	98.6	Very high	97.5	Very high	2 Å²	2	8.2 Å²	8.2	1%	0.01	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	68.5	171.6	-48.1	-56.5	0	0	0	107	I258 L259 L260 G261 Q335 F350 S353 L354	I258-I337 HydrophobicContact CG2-CG1 3.99Å; L259-I337 CarbonylContact O-C 3.44Å; L259-I337 VanDerWaalsContact O-CA 3.28Å; L259-I337 WeakPolarHBondContact O-CA 3.31Å; L259-I337 WeakPolarHBondContact O-CB 3.4Å; L259-I337 PolarHBondContact O-N 3.17Å; L260-I337 WeakPolarHBondContact CA-O 3.28Å; L260-I337 HydrophobicContact CD2-CB 3.84Å; L260-I337 HydrophobicContact CD2-CG1 4.36Å; L260-I337 HydrophobicContact CD2-CG2 3.99Å; G261-I337 PolarHBondContact N-O 3.43Å; G261-I337 VanDerWaalsContact N-O 3.11Å; Q335-I337 HydrophobicContact CB-CD1 4.11Å; Q335-I337 HydrophobicContact CB-CG1 4.29Å; I337-F350 HydrophobicContact CG2-CD2 3.96Å; I337-F350 HydrophobicContact CG2-CE2 4.08Å; I337-S353 WeakPolarHBondContact CG2-OG 3.39Å; I337-L354 HydrophobicContact CG1-CB 4.33Å
338	S	97.8	Very high	97.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	145.5	-171.1	-54.4	0	0	0	0	112.3	R197 L259 G261 S336	R197-S338 PolarHBondContact NH1-O 3.41Å; R197-S338 PolarHBondContact NH2-O 3.43Å; L259-S338 WeakPolarHBondContact CD2-OG 3.16Å; G261-S338 VanDerWaalsContact CA-OG 3.31Å; G261-S338 WeakPolarHBondContact CA-OG 3.33Å; G261-S338 PolarHBondContact N-OG 2.83Å; G261-S338 WeakPolarHBondContact O-CA 3.06Å; G261-S338 WeakPolarHBondContact O-CB 3.32Å; S336-S338 PolarHBondContact O-N 3.14Å; S336-S338 WeakPolarHBondContact OG-CB 3.4Å; S336-S338 PolarHBondContact OG-OG 3.16Å; S336-S338 VanDerWaalsContact OG-OG 3.11Å
339	R	95.3	Very high	97	Very high	20 Å²	20	17 Å²	17	8%	0.075	8%	0.081	C	C	.	.			trans	-141	146.9	174.1	-49.5	-165.4	94.3	158.4	33.9	112.5	V176 K177 G261 D262 S263 G341 A342 F350	V176-R339 PolarHBondContact O-NH2 3.39Å; K177-R339 PolarHBondContact O-NH1 3.35Å; K177-R339 PolarHBondContact O-NH2 3.13Å; G261-R339 PolarHBondContact O-N 3.14Å; D262-R339 CarbonylContact C-O 3Å; D262-R339 VanDerWaalsContact CA-O 3.25Å; D262-R339 WeakPolarHBondContact CA-O 3.02Å; S263-R339 PolarHBondContact N-O 3.5Å; R339-G341 PolarHBondContact O-N 3.09Å; R339-A342 HydrophobicContact CB-CB 4.32Å; R339-A342 VanDerWaalsContact O-CB 3.25Å; R339-A342 WeakPolarHBondContact O-CB 2.96Å; R339-A342 PolarHBondContact O-N 3.04Å; R339-F350 HydrophobicContact CB-CE1 4.39Å; R339-F350 HydrophobicContact CB-CZ 4.34Å; R339-F350 HydrophobicContact CG-CD1 4.02Å; R339-F350 HydrophobicContact CG-CD2 3.88Å; R339-F350 HydrophobicContact CG-CE1 3.96Å; R339-F350 HydrophobicContact CG-CE2 3.84Å; R339-F350 HydrophobicContact CG-CG 3.97Å; R339-F350 HydrophobicContact CG-CZ 3.87Å
340	N	91.7	Very high	96.8	Very high	13 Å²	13	16.9 Å²	16.9	7%	0.07	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	132.3	164.7	-58.7	-16	0	0	0	109.2	P26 S263 E295 N297 A342	P26-N340 WeakPolarHBondContact CD-O 3.48Å; S263-N340 WeakPolarHBondContact CB-OD1 3.4Å; E295-N340 PolarHBondContact O-ND2 3.1Å; N297-N340 PolarHBondContact ND2-ND2 3.28Å; N297-N340 PolarHBondContact ND2-OD1 3.28Å; N297-N340 PolarHBondContact OD1-OD1 2.95Å; N340-A342 VanDerWaalsContact C-N 3.28Å; N340-A342 PolarHBondContact O-N 3.25Å
341	G	91.1	Very high	96.7	Very high	7 Å²	7	17 Å²	17	7%	0.072	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	9.7	-177.6	0	0	0	0	0	115.8	S24 R339 N346 N373	S24-G341 WeakPolarHBondContact O-CA 3.22Å; R339-G341 PolarHBondContact O-N 3.09Å; G341-N346 PolarHBondContact O-ND2 3.29Å; G341-N373 WeakPolarHBondContact CA-ND2 3.42Å
342	A	97.1	Very high	96.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.112	C	C	.	.			trans	-66	136.1	173.5	0	0	0	0	0	111.7	G261 D262 R339 N340 N346 F350 M370 N373	G261-A342 WeakPolarHBondContact O-CB 3.07Å; D262-A342 HydrophobicContact CB-CB 4.16Å; D262-A342 WeakPolarHBondContact CB-O 3.44Å; R339-A342 HydrophobicContact CB-CB 4.32Å; R339-A342 VanDerWaalsContact O-CB 3.25Å; R339-A342 WeakPolarHBondContact O-CB 2.96Å; R339-A342 PolarHBondContact O-N 3.04Å; N340-A342 VanDerWaalsContact C-N 3.28Å; N340-A342 PolarHBondContact O-N 3.25Å; A342-N346 WeakPolarHBondContact CA-OD1 3.47Å; A342-F350 HydrophobicContact CB-CE1 3.84Å; A342-F350 HydrophobicContact CB-CZ 3.59Å; A342-M370 HydrophobicContact CB-CE 4.27Å; A342-M370 HydrophobicContact CB-SD 3.76Å; A342-N373 PolarHBondContact N-ND2 2.9Å; A342-N373 VanDerWaalsContact O-CB 3.31Å; A342-N373 WeakPolarHBondContact O-CB 3.32Å; A342-N373 PolarHBondContact O-ND2 2.83Å
343	S	98.5	Very high	96.5	Very high	1 Å²	1	23 Å²	23	1%	0.007	11%	0.11	C	C	.	.			trans	-142.7	171.2	177	120.8	0	0	0	0	108.7	R345 N346 L347 D374	S343-R345 PolarHBondContact O-N 3.39Å; S343-R345 WeakPolarHBondContact OG-CB 3.44Å; S343-R345 PolarHBondContact OG-N 3.09Å; S343-R345 VanDerWaalsContact OG-N 3.07Å; S343-R345 PolarHBondContact OG-NE 2.79Å; S343-N346 PolarHBondContact N-OD1 3.25Å; S343-N346 PolarHBondContact O-N 3.26Å; S343-N346 PolarHBondContact O-OD1 2.73Å; S343-N346 VanDerWaalsContact O-OD1 3.12Å; S343-L347 PolarHBondContact O-N 3.03Å; S343-L347 VanDerWaalsContact O-N 3.08Å; S343-D374 PolarHBondContact OG-OD1 3.19Å
344	S	98.5	Very high	96.4	Very high	3 Å²	3	23.1 Å²	23.1	2%	0.021	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-33.2	171.5	75.6	0	0	0	0	113.2	Y368 D374 M392 S395	S344-Y368 VanDerWaalsContact CA-OH 3.29Å; S344-Y368 WeakPolarHBondContact CA-OH 3.31Å; S344-Y368 WeakPolarHBondContact CB-OH 3.34Å; S344-D374 PolarHBondContact N-OD1 3.27Å; S344-D374 PolarHBondContact N-OD2 3.08Å; S344-D374 PolarHBondContact OG-OD1 3.06Å; S344-M392 WeakPolarHBondContact CB-SD 3.48Å; S344-M392 PolarHBondContact OG-SD 2.66Å; S344-M392 VanDerWaalsContact OG-SD 3.42Å; S344-S395 VanDerWaalsContact O-CB 3.28Å; S344-S395 WeakPolarHBondContact O-CB 3.43Å
345	R	97.3	Very high	96.4	Very high	64 Å²	64	23.8 Å²	23.8	24%	0.242	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-35.1	-174.6	-60.2	178.5	-73.4	-172.6	-8.7	113.8	Y27 S343 K348 N373 E385 T387	Y27-R345 HydrophobicContact CE2-CB 4.16Å; S343-R345 PolarHBondContact O-N 3.39Å; S343-R345 WeakPolarHBondContact OG-CB 3.44Å; S343-R345 PolarHBondContact OG-N 3.09Å; S343-R345 VanDerWaalsContact OG-N 3.07Å; S343-R345 PolarHBondContact OG-NE 2.79Å; R345-K348 WeakPolarHBondContact O-CE 3.1Å; R345-N373 PolarHBondContact NH2-O 2.91Å; R345-E385 PolarHBondContact NH1-O 2.9Å; R345-T387 WeakPolarHBondContact CD-OG1 3.29Å; R345-T387 PolarHBondContact NE-OG1 3.2Å
346	N	95.6	Very high	96.4	Very high	8 Å²	8	24.1 Å²	24.1	4%	0.043	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-2.3	-170.6	66.6	9	0	0	0	114	P26 Y27 G341 A342 S343 K348 N349	P26-N346 PolarHBondContact O-ND2 3.09Å; P26-N346 VanDerWaalsContact O-ND2 3.1Å; Y27-N346 HydrophobicContact CD2-CB 4.05Å; Y27-N346 HydrophobicContact CE2-CB 4.05Å; G341-N346 PolarHBondContact O-ND2 3.29Å; A342-N346 WeakPolarHBondContact CA-OD1 3.47Å; S343-N346 PolarHBondContact N-OD1 3.25Å; S343-N346 PolarHBondContact O-N 3.26Å; S343-N346 PolarHBondContact O-OD1 2.73Å; S343-N346 VanDerWaalsContact O-OD1 3.12Å; N346-K348 PolarHBondContact O-N 3.34Å; N346-N349 WeakPolarHBondContact O-CB 3.47Å; N346-N349 PolarHBondContact O-N 2.85Å
347	L	96.6	Very high	96.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-52.8	-38.2	173.8	177.4	59.8	0	0	0	112.4	L260 S343 N349 F350 I351 Y368 M370 T399	L260-L347 HydrophobicContact CB-CD1 4.42Å; L260-L347 HydrophobicContact CB-CD2 4.42Å; L260-L347 HydrophobicContact CD1-CD2 4.22Å; S343-L347 PolarHBondContact O-N 3.03Å; S343-L347 VanDerWaalsContact O-N 3.08Å; L347-N349 PolarHBondContact O-N 2.86Å; L347-F350 HydrophobicContact CD1-CD2 4.27Å; L347-F350 HydrophobicContact CD1-CE1 4.08Å; L347-F350 HydrophobicContact CD1-CE2 3.52Å; L347-F350 HydrophobicContact CD1-CZ 3.41Å; L347-F350 VanDerWaalsContact CD1-CZ 3.41Å; L347-F350 PolarHBondContact O-N 3.17Å; L347-I351 HydrophobicContact CD1-CB 4.37Å; L347-I351 HydrophobicContact CD2-CD1 4.44Å; L347-I351 HydrophobicContact CG-CB 4.32Å; L347-I351 HydrophobicContact CG-CD1 4.39Å; L347-I351 WeakPolarHBondContact O-CB 3.3Å; L347-I351 PolarHBondContact O-N 2.93Å; L347-Y368 HydrophobicContact CD2-CD2 3.96Å; L347-Y368 HydrophobicContact CD2-CE2 3.51Å; L347-M370 HydrophobicContact CD1-CE 4.31Å; L347-T399 HydrophobicContact CD2-CG2 3.72Å
348	K	94.8	Very high	96.4	Very high	98 Å²	98	30.8 Å²	30.8	43%	0.426	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-53.3	-24.9	175.3	67.9	-178.4	178.5	179.7	0	114	R345 N346 F350	R345-K348 WeakPolarHBondContact O-CE 3.1Å; N346-K348 PolarHBondContact O-N 3.34Å; K348-F350 VanDerWaalsContact C-N 3.27Å; K348-F350 PolarHBondContact O-N 3.25Å
349	N	93.4	Very high	96.4	Very high	99 Å²	99	34.1 Å²	34.1	53%	0.529	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-76.2	-16.4	-177.2	-60.2	-13.3	0	0	0	112.7	N346 L347	N346-N349 WeakPolarHBondContact O-CB 3.47Å; N346-N349 PolarHBondContact O-N 2.85Å; L347-N349 PolarHBondContact O-N 2.86Å
350	F	94.6	Very high	96.5	Very high	5 Å²	5	36.6 Å²	36.6	2%	0.022	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140	-0.9	-177.7	68.3	-91.9	0	0	0	114.2	A179 I337 R339 A342 L347 K348 E352 S353	A179-F350 HydrophobicContact CB-CB 4.09Å; I337-F350 HydrophobicContact CG2-CD2 3.96Å; I337-F350 HydrophobicContact CG2-CE2 4.08Å; R339-F350 HydrophobicContact CB-CE1 4.39Å; R339-F350 HydrophobicContact CB-CZ 4.34Å; R339-F350 HydrophobicContact CG-CD1 4.02Å; R339-F350 HydrophobicContact CG-CD2 3.88Å; R339-F350 HydrophobicContact CG-CE1 3.96Å; R339-F350 HydrophobicContact CG-CE2 3.84Å; R339-F350 HydrophobicContact CG-CG 3.97Å; R339-F350 HydrophobicContact CG-CZ 3.87Å; A342-F350 HydrophobicContact CB-CE1 3.84Å; A342-F350 HydrophobicContact CB-CZ 3.59Å; L347-F350 HydrophobicContact CD1-CD2 4.27Å; L347-F350 HydrophobicContact CD1-CE1 4.08Å; L347-F350 HydrophobicContact CD1-CE2 3.52Å; L347-F350 HydrophobicContact CD1-CZ 3.41Å; L347-F350 VanDerWaalsContact CD1-CZ 3.41Å; L347-F350 PolarHBondContact O-N 3.17Å; K348-F350 VanDerWaalsContact C-N 3.27Å; K348-F350 PolarHBondContact O-N 3.25Å; F350-E352 PolarHBondContact O-N 2.59Å; F350-S353 VanDerWaalsContact O-CB 3.22Å; F350-S353 WeakPolarHBondContact O-CB 3.15Å; F350-S353 PolarHBondContact O-N 2.94Å; F350-S353 PolarHBondContact O-OG 3.09Å
351	I	96.7	Very high	96.9	Very high	7 Å²	7	36 Å²	36	4%	0.036	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-58.9	-29.1	176.1	-166.3	168.1	0	0	0	112.6	L260 L347 S353 L354 T399 L403	L260-I351 HydrophobicContact CD1-CD1 4.43Å; L347-I351 HydrophobicContact CD1-CB 4.37Å; L347-I351 HydrophobicContact CD2-CD1 4.44Å; L347-I351 HydrophobicContact CG-CB 4.32Å; L347-I351 HydrophobicContact CG-CD1 4.39Å; L347-I351 WeakPolarHBondContact O-CB 3.3Å; L347-I351 PolarHBondContact O-N 2.93Å; I351-S353 PolarHBondContact O-N 2.88Å; I351-S353 VanDerWaalsContact O-N 3.09Å; I351-L354 WeakPolarHBondContact O-CB 3.3Å; I351-L354 PolarHBondContact O-N 3.11Å; I351-T399 HydrophobicContact CD1-CG2 3.75Å; I351-L403 HydrophobicContact CD1-CD2 4.37Å; I351-L403 HydrophobicContact CD1-CG 4.49Å
352	E	96.1	Very high	97.2	Very high	147 Å²	147	37.1 Å²	37.1	69%	0.687	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-63.3	-14.1	174.8	-62.4	-175.5	172.3	0	0	113.3	K189 F350 L354	K189-E352 PolarHBondContact NZ-O 3.38Å; F350-E352 PolarHBondContact O-N 2.59Å; E352-L354 PolarHBondContact O-N 2.95Å
353	S	96.6	Very high	97.3	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.021	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-70.8	-18.7	171.6	71.9	0	0	0	0	112.8	K178 A179 K189 R202 I337 F350 I351 S355	K178-S353 WeakPolarHBondContact O-CB 3.4Å; A179-S353 VanDerWaalsContact O-CB 3.31Å; A179-S353 WeakPolarHBondContact O-CB 3.38Å; K189-S353 WeakPolarHBondContact CD-O 3.29Å; R202-S353 PolarHBondContact NH1-O 2.87Å; R202-S353 PolarHBondContact NH2-O 3.46Å; I337-S353 WeakPolarHBondContact CG2-OG 3.39Å; F350-S353 VanDerWaalsContact O-CB 3.22Å; F350-S353 WeakPolarHBondContact O-CB 3.15Å; F350-S353 PolarHBondContact O-N 2.94Å; F350-S353 PolarHBondContact O-OG 3.09Å; I351-S353 PolarHBondContact O-N 2.88Å; I351-S353 VanDerWaalsContact O-N 3.09Å; S353-S355 PolarHBondContact O-N 3.02Å
354	L	98.5	Very high	97.3	Very high	6 Å²	6	38.2 Å²	38.2	3%	0.031	20%	0.198	C	C	.	.			trans	-54.1	133	174	-177.3	151.5	0	0	0	110.3	K189 I258 L260 I337 I351 E352 R356 L403	K189-L354 PolarHBondContact NZ-O 3.44Å; I258-L354 HydrophobicContact CD1-CD1 4.23Å; I258-L354 HydrophobicContact CD1-CG 4.32Å; I258-L354 HydrophobicContact CG2-CD1 3.91Å; I258-L354 HydrophobicContact CG2-CG 4.47Å; L260-L354 HydrophobicContact CD2-CD1 4.17Å; I337-L354 HydrophobicContact CG1-CB 4.33Å; I351-L354 WeakPolarHBondContact O-CB 3.3Å; I351-L354 PolarHBondContact O-N 3.11Å; E352-L354 PolarHBondContact O-N 2.95Å; L354-R356 HydrophobicContact CD2-CB 3.68Å; L354-L403 HydrophobicContact CD1-CD2 3.88Å
355	S	98.5	Very high	97.4	Very high	14 Å²	14	38.2 Å²	38.2	10%	0.098	20%	0.198	C	C	.	.			trans	-109.1	98.3	176.6	-157.4	0	0	0	0	109.6	D188 Q335 S353	D188-S355 PolarHBondContact O-OG 2.86Å; Q335-S355 PolarHBondContact NE2-O 3.35Å; Q335-S355 PolarHBondContact OE1-O 2.86Å; S353-S355 PolarHBondContact O-N 3.02Å
356	R	98.7	Very high	97.4	Very high	8 Å²	8	35.1 Å²	35.1	3%	0.03	19%	0.186	C	C	.	.			trans	-153.9	120.6	170.3	-146.7	66.7	174.9	-171.6	-6.1	110.7	G216 D333 L354 D361 Q362 P363 P408	G216-R356 PolarHBondContact O-NH2 3.44Å; D333-R356 IonicContact OD1-CZ 3.94Å; D333-R356 IonicContact OD1-NH1 3.35Å; D333-R356 PolarHBondContact OD1-NH1 3.17Å; D333-R356 IonicContact OD1-NH2 3.36Å; D333-R356 IonicContact OD2-CZ 3.55Å; D333-R356 IonicContact OD2-NH1 2.74Å; D333-R356 PolarHBondContact OD2-NH1 3.48Å; D333-R356 IonicContact OD2-NH2 3.49Å; D333-R356 PolarHBondContact OD2-NH2 2.93Å; L354-R356 HydrophobicContact CD2-CB 3.68Å; R356-D361 VanDerWaalsContact CA-OD2 3.31Å; R356-D361 WeakPolarHBondContact CA-OD2 3.44Å; R356-D361 HydrophobicContact CG-CB 4.09Å; R356-Q362 VanDerWaalsContact CZ-O 3.23Å; R356-Q362 PolarHBondContact NE-O 3.43Å; R356-Q362 PolarHBondContact NH2-O 2.94Å; R356-P363 PolarHBondContact NH2-O 2.86Å; R356-P408 HydrophobicContact CG-CG 4.22Å
357	N	98.4	Very high	97.6	Very high	66 Å²	66	35.1 Å²	35.1	35%	0.353	19%	0.186	S	C	.	.			trans	-93.6	116.5	175.6	-172.6	-57.8	0	0	0	110	A359 L360 D361	N357-A359 PolarHBondContact O-N 2.99Å; N357-A359 VanDerWaalsContact O-N 3.1Å; N357-A359 PolarHBondContact OD1-N 3.48Å; N357-L360 HydrophobicContact CB-CB 4.11Å; N357-L360 PolarHBondContact O-N 3.34Å; N357-L360 PolarHBondContact OD1-N 3.36Å; N357-L360 VanDerWaalsContact OD1-N 3.11Å; N357-D361 PolarHBondContact N-OD2 3.27Å; N357-D361 WeakPolarHBondContact O-CB 3.47Å; N357-D361 PolarHBondContact O-N 3.07Å
358	Q	98.1	Very high	97.7	Very high	77 Å²	77	35.2 Å²	35.2	36%	0.36	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-35.7	-179.4	-177.1	165.5	80.7	0	0	114.2	N404 Q406 L407 N495	Q358-N404 PolarHBondContact NE2-O 3.31Å; Q358-Q406 WeakPolarHBondContact CA-O 3.16Å; Q358-Q406 WeakPolarHBondContact CB-O 3.45Å; Q358-Q406 PolarHBondContact N-O 3.44Å; Q358-L407 PolarHBondContact NE2-O 2.88Å; Q358-N495 PolarHBondContact NE2-ND2 3.31Å
359	A	97.9	Very high	97.9	Very high	70 Å²	70	30.9 Å²	30.9	58%	0.579	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98	-12.7	-173.2	0	0	0	0	0	114.2	R218 N357	R218-A359 PolarHBondContact NH2-O 3.41Å; N357-A359 PolarHBondContact O-N 2.99Å; N357-A359 VanDerWaalsContact O-N 3.1Å; N357-A359 PolarHBondContact OD1-N 3.48Å
360	L	98.4	Very high	98.1	Very high	72 Å²	72	26.2 Å²	26.2	38%	0.377	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.7	-21.1	-174.3	-60.3	177	0	0	0	113.6	R218 N357	R218-L360 VanDerWaalsContact CB-O 3.23Å; R218-L360 WeakPolarHBondContact CB-O 3.09Å; R218-L360 WeakPolarHBondContact CG-O 3.44Å; R218-L360 PolarHBondContact N-O 2.95Å; N357-L360 HydrophobicContact CB-CB 4.11Å; N357-L360 PolarHBondContact O-N 3.34Å; N357-L360 PolarHBondContact OD1-N 3.36Å; N357-L360 VanDerWaalsContact OD1-N 3.11Å
361	D	98.9	Very high	98.3	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-103.8	161	-171.2	-59.4	-3.2	0	0	0	112.4	Y214 R218 R356 N357 P408	Y214-D361 VanDerWaalsContact CE2-OD1 3.29Å; Y214-D361 WeakPolarHBondContact CE2-OD1 3.1Å; Y214-D361 PolarHBondContact OH-OD1 2.98Å; R218-D361 PolarHBondContact NH1-O 2.93Å; R356-D361 VanDerWaalsContact CA-OD2 3.31Å; R356-D361 WeakPolarHBondContact CA-OD2 3.44Å; R356-D361 HydrophobicContact CG-CB 4.09Å; N357-D361 PolarHBondContact N-OD2 3.27Å; N357-D361 WeakPolarHBondContact O-CB 3.47Å; N357-D361 PolarHBondContact O-N 3.07Å; D361-P408 HydrophobicContact CB-CG 4.28Å; D361-P408 VanDerWaalsContact O-CG 3.28Å; D361-P408 WeakPolarHBondContact O-CG 3.05Å
362	Q	98.8	Very high	98.4	Very high	31 Å²	31	26.7 Å²	26.7	15%	0.145	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-66.5	153.7	170.5	-59.8	-68.1	9.9	0	0	110.5	G216 R218 P254 R356	G216-Q362 PolarHBondContact O-N 3.34Å; R218-Q362 HydrophobicContact CG-CG 4.31Å; P254-Q362 HydrophobicContact CB-CG 4.22Å; R356-Q362 VanDerWaalsContact CZ-O 3.23Å; R356-Q362 PolarHBondContact NE-O 3.43Å; R356-Q362 PolarHBondContact NH2-O 2.94Å
363	P	98.9	Very high	98.5	Very high	23 Å²	23	20.5 Å²	20.5	15%	0.149	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-59	164.8	172.2	26.7	-34.8	0	0	0	111.8	R255 G256 R356 S411	R255-P363 WeakPolarHBondContact CA-O 3.31Å; R255-P363 HydrophobicContact CB-CG 4.46Å; R255-P363 WeakPolarHBondContact CB-O 3.24Å; G256-P363 PolarHBondContact N-O 2.87Å; G256-P363 VanDerWaalsContact N-O 3.08Å; R356-P363 PolarHBondContact NH2-O 2.86Å; P363-S411 WeakPolarHBondContact CA-OG 3.26Å
364	A	98.9	Very high	98.6	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.008	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	150.1	179.7	0	0	0	0	0	112.3	G256 I258 V366 L407 S411 H412	G256-A364 CarbonylContact O-C 3.58Å; G256-A364 WeakPolarHBondContact O-CA 3.28Å; I258-A364 HydrophobicContact CD1-CB 3.7Å; I258-A364 HydrophobicContact CG1-CB 4.07Å; A364-V366 HydrophobicContact CB-CG2 4.37Å; A364-L407 HydrophobicContact CB-CD2 4.46Å; A364-S411 PolarHBondContact N-OG 3.35Å; A364-S411 WeakPolarHBondContact O-CA 3.43Å; A364-S411 VanDerWaalsContact O-CB 3.27Å; A364-S411 WeakPolarHBondContact O-CB 3.26Å; A364-H412 PolarHBondContact O-N 3.41Å
365	I	98.9	Very high	98.6	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.01	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	118.7	160.6	-53.4	169.4	0	0	0	106.3	R255 G256 I257 I258 L323 H412 I414 I554 L555	R255-I365 HydrophobicContact CG-CD1 4.3Å; R255-I365 HydrophobicContact CG-CG1 4.32Å; G256-I365 PolarHBondContact O-N 3.41Å; I257-I365 HydrophobicContact CD1-CB 4.04Å; I257-I365 HydrophobicContact CD1-CG2 4.06Å; I258-I365 PolarHBondContact N-O 2.88Å; L323-I365 HydrophobicContact CD1-CD1 4.26Å; L323-I365 HydrophobicContact CD2-CD1 4.26Å; I365-H412 CarbonylContact C-O 3.17Å; I365-H412 WeakPolarHBondContact CA-O 3.27Å; I365-I414 HydrophobicContact CG2-CD1 4.25Å; I365-I554 HydrophobicContact CD1-CG2 3.89Å; I365-I554 VanDerWaalsContact CD1-O 3.28Å; I365-I554 WeakPolarHBondContact CD1-O 3.43Å; I365-I554 HydrophobicContact CG1-CG2 3.92Å; I365-I554 HydrophobicContact CG2-CG2 4.03Å; I365-L555 HydrophobicContact CD1-CD2 4.36Å
366	V	98.9	Very high	98.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.8	177.5	-172.5	0	0	0	0	109.2	I258 L260 A364 L403 L407 H412 V413 I414	I258-V366 HydrophobicContact CB-CG1 4.44Å; I258-V366 HydrophobicContact CB-CG2 4.19Å; I258-V366 HydrophobicContact CD1-CG2 4.43Å; I258-V366 HydrophobicContact CG2-CG1 4.4Å; I258-V366 CarbonylContact O-C 3.45Å; I258-V366 VanDerWaalsContact O-CA 3.27Å; I258-V366 WeakPolarHBondContact O-CA 3.29Å; L260-V366 HydrophobicContact CD1-CG1 3.88Å; L260-V366 HydrophobicContact CG-CG1 3.81Å; A364-V366 HydrophobicContact CB-CG2 4.37Å; V366-L403 HydrophobicContact CG1-CD1 4.36Å; V366-L407 HydrophobicContact CG2-CD1 3.73Å; V366-L407 HydrophobicContact CG2-CD2 3.91Å; V366-L407 HydrophobicContact CG2-CG 4.49Å; V366-H412 PolarHBondContact N-O 3.06Å; V366-V413 HydrophobicContact CB-CG2 4.16Å; V366-V413 CarbonylContact O-C 3Å; V366-V413 WeakPolarHBondContact O-CA 3.33Å; V366-I414 PolarHBondContact O-N 2.91Å
367	I	98.9	Very high	98.5	Very high	8 Å²	8	20.3 Å²	20.3	4%	0.041	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	116.5	173.5	-58.8	179.9	0	0	0	108.1	I257 I258 L259 L260 V304 I319 A369	I257-I367 HydrophobicContact CD1-CD1 4.02Å; I257-I367 HydrophobicContact CD1-CG1 4.21Å; I258-I367 PolarHBondContact O-N 3.29Å; L259-I367 HydrophobicContact CD1-CB 4.14Å; L259-I367 HydrophobicContact CD1-CG2 4.14Å; L260-I367 PolarHBondContact N-O 3.33Å; V304-I367 HydrophobicContact CG1-CD1 4.13Å; I319-I367 HydrophobicContact CD1-CD1 3.49Å; I319-I367 VanDerWaalsContact CD1-CD1 3.49Å; I367-A369 HydrophobicContact CG2-CB 4.18Å
368	Y	98.9	Very high	98.1	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.008	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	107.9	169.3	179.1	-81.2	0	0	0	108.7	L260 S344 L347 M370 M392 V396 T399 I414 L415 Y416 L484	L260-Y368 HydrophobicContact CD1-CD2 4.38Å; S344-Y368 VanDerWaalsContact CA-OH 3.29Å; S344-Y368 WeakPolarHBondContact CA-OH 3.31Å; S344-Y368 WeakPolarHBondContact CB-OH 3.34Å; L347-Y368 HydrophobicContact CD2-CD2 3.96Å; L347-Y368 HydrophobicContact CD2-CE2 3.51Å; Y368-M370 HydrophobicContact CD1-CG 4.44Å; Y368-M370 HydrophobicContact CE1-CB 3.85Å; Y368-M370 HydrophobicContact CE1-CG 3.69Å; Y368-M370 HydrophobicContact CE2-CG 3.95Å; Y368-M370 VanDerWaalsContact CZ-CG 3.4Å; Y368-M370 WeakPolarHBondContact OH-CG 3.24Å; Y368-M392 HydrophobicContact CE1-CE 4.2Å; Y368-V396 HydrophobicContact CE1-CG2 4.32Å; Y368-T399 HydrophobicContact CD2-CG2 4.2Å; Y368-T399 HydrophobicContact CE2-CG2 4.17Å; Y368-I414 PolarHBondContact N-O 3.43Å; Y368-L415 HydrophobicContact CD1-CD2 4.09Å; Y368-L415 HydrophobicContact CG-CD2 3.91Å; Y368-Y416 VanDerWaalsContact O-CB 3.26Å; Y368-Y416 WeakPolarHBondContact O-CB 3.36Å; Y368-Y416 PolarHBondContact O-N 2.9Å; Y368-L484 HydrophobicContact CE1-CD2 4.27Å
369	A	98.6	Very high	97.8	Very high	7 Å²	7	18 Å²	18	6%	0.058	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	66.9	-175.5	0	0	0	0	0	111.1	L259 L260 I367 I371	L259-A369 HydrophobicContact CD1-CB 3.91Å; L260-A369 PolarHBondContact O-N 3.4Å; I367-A369 HydrophobicContact CG2-CB 4.18Å; A369-I371 HydrophobicContact CB-CG2 4.08Å; A369-I371 PolarHBondContact O-N 2.74Å
370	M	98.6	Very high	97.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.113	C	C	.	.			trans	-86.4	83.8	166	-59.5	-63.4	119	0	0	108.3	L260 G261 A342 L347 Y368	L260-M370 HydrophobicContact CB-CE 4.38Å; L260-M370 WeakPolarHBondContact O-CE 3.45Å; G261-M370 VanDerWaalsContact C-CE 3.42Å; G261-M370 WeakPolarHBondContact O-CE 3.36Å; A342-M370 HydrophobicContact CB-CE 4.27Å; A342-M370 HydrophobicContact CB-SD 3.76Å; L347-M370 HydrophobicContact CD1-CE 4.31Å; Y368-M370 HydrophobicContact CD1-CG 4.44Å; Y368-M370 HydrophobicContact CE1-CB 3.85Å; Y368-M370 HydrophobicContact CE1-CG 3.69Å; Y368-M370 HydrophobicContact CE2-CG 3.95Å; Y368-M370 VanDerWaalsContact CZ-CG 3.4Å; Y368-M370 WeakPolarHBondContact OH-CG 3.24Å
371	I	98.2	Very high	97.2	Very high	19 Å²	19	20.5 Å²	20.5	10%	0.097	12%	0.123	C	C	.	.			trans	-105.2	19.8	-160.9	57.5	168.8	0	0	0	113.8	D262 A264 A369 Y416 P419 F503	D262-I371 WeakPolarHBondContact OD2-CG1 3.12Å; D262-I371 PolarHBondContact OD2-N 2.8Å; A264-I371 HydrophobicContact CB-CD1 3.72Å; A264-I371 HydrophobicContact CB-CG1 4.23Å; A369-I371 HydrophobicContact CB-CG2 4.08Å; A369-I371 PolarHBondContact O-N 2.74Å; I371-Y416 HydrophobicContact CG2-CD1 4.03Å; I371-P419 WeakPolarHBondContact O-CD 3.5Å; I371-P419 VanDerWaalsContact O-CG 3.3Å; I371-P419 WeakPolarHBondContact O-CG 3.31Å; I371-F503 HydrophobicContact CB-CE2 4.48Å; I371-F503 HydrophobicContact CD1-CD2 4.48Å; I371-F503 HydrophobicContact CD1-CE2 3.69Å; I371-F503 HydrophobicContact CD1-CZ 4.33Å; I371-F503 HydrophobicContact CG2-CD2 4.16Å; I371-F503 HydrophobicContact CG2-CE2 4.38Å
372	G	97.9	Very high	97	Very high	4 Å²	4	20.6 Å²	20.6	4%	0.041	12%	0.124	C	C	.	.	S	Bend	trans	-164.7	-52.2	177.3	0	0	0	0	0	115.1	D374 V375 C376	G372-D374 PolarHBondContact O-N 2.92Å; G372-V375 VanDerWaalsContact O-CG2 3.32Å; G372-V375 WeakPolarHBondContact O-CG2 3.47Å; G372-V375 PolarHBondContact O-N 2.82Å; G372-C376 WeakPolarHBondContact O-CB 3.39Å; G372-C376 PolarHBondContact O-N 2.87Å
373	N	98.5	Very high	96.9	Very high	17 Å²	17	21 Å²	21	9%	0.091	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-4.5	-165.7	-60.9	-50.7	0	0	0	115.8	G341 A342 R345	G341-N373 WeakPolarHBondContact CA-ND2 3.42Å; A342-N373 PolarHBondContact N-ND2 2.9Å; A342-N373 VanDerWaalsContact O-CB 3.31Å; A342-N373 WeakPolarHBondContact O-CB 3.32Å; A342-N373 PolarHBondContact O-ND2 2.83Å; R345-N373 PolarHBondContact NH2-O 2.91Å
374	D	98.8	Very high	96.9	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-19.7	168	-75.9	-67	0	0	0	112.6	S343 S344 G372 M386 T387 M392 L418 L480	S343-D374 PolarHBondContact OG-OD1 3.19Å; S344-D374 PolarHBondContact N-OD1 3.27Å; S344-D374 PolarHBondContact N-OD2 3.08Å; S344-D374 PolarHBondContact OG-OD1 3.06Å; G372-D374 PolarHBondContact O-N 2.92Å; D374-M386 CarbonylContact O-C 3.24Å; D374-M386 WeakPolarHBondContact O-CA 2.87Å; D374-T387 PolarHBondContact O-N 2.83Å; D374-T387 PolarHBondContact O-OG1 3.18Å; D374-T387 WeakPolarHBondContact OD1-CB 3.2Å; D374-T387 PolarHBondContact OD1-OG1 3.11Å; D374-M392 HydrophobicContact CB-SD 4.48Å; D374-L418 HydrophobicContact CB-CD2 4.47Å; D374-L480 HydrophobicContact CB-CD1 3.71Å
375	V	98.7	Very high	96.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-21.7	171.9	-58.8	0	0	0	0	113.4	G372 M386 L418 W462 T473 R476 A477 L480	G372-V375 VanDerWaalsContact O-CG2 3.32Å; G372-V375 WeakPolarHBondContact O-CG2 3.47Å; G372-V375 PolarHBondContact O-N 2.82Å; V375-M386 HydrophobicContact CB-CG 4.37Å; V375-M386 HydrophobicContact CB-SD 4.14Å; V375-M386 HydrophobicContact CG1-SD 4.43Å; V375-M386 WeakPolarHBondContact O-CE 3.28Å; V375-M386 WeakPolarHBondContact O-CG 3.34Å; V375-L418 HydrophobicContact CG1-CD2 4.17Å; V375-L418 HydrophobicContact CG2-CD2 4.3Å; V375-W462 HydrophobicContact CG2-CH2 3.49Å; V375-W462 VanDerWaalsContact CG2-CH2 3.49Å; V375-W462 HydrophobicContact CG2-CZ2 3.99Å; V375-W462 HydrophobicContact CG2-CZ3 3.82Å; V375-T473 HydrophobicContact CB-CG2 4.08Å; V375-T473 HydrophobicContact CG2-CG2 4.05Å; V375-R476 HydrophobicContact CG1-CB 4.01Å; V375-R476 HydrophobicContact CG1-CG 3.6Å; V375-A477 HydrophobicContact CG1-CB 4.33Å; V375-A477 HydrophobicContact CG2-CB 4.39Å; V375-L480 HydrophobicContact CG1-CD1 3.93Å
376	C	98.4	Very high	96.8	Very high	4 Å²	4	28.3 Å²	28.3	3%	0.027	17%	0.168	C	C	.	.			trans	-91.5	128.8	179.1	-71.6	0	0	0	0	112.2	G372 P458 C459 W462 F529	G372-C376 WeakPolarHBondContact O-CB 3.39Å; G372-C376 PolarHBondContact O-N 2.87Å; C376-P458 WeakPolarHBondContact CB-O 2.99Å; C376-C459 WeakPolarHBondContact CA-SG 3.08Å; C376-C459 HydrophobicContact CB-CB 3.5Å; C376-C459 WeakPolarHBondContact CB-SG 3.42Å; C376-C459 WeakPolarHBondContact SG-CB 3.5Å; C376-C459 CovalentContact SG-SG 2.04Å; C376-C459 PolarHBondContact SG-SG 3.46Å; C376-W462 VanDerWaalsContact SG-CZ3 3.55Å; C376-F529 HydrophobicContact CB-CZ 4.35Å
377	N	96.1	Very high	96.8	Very high	22 Å²	22	28.4 Å²	28.4	12%	0.118	17%	0.169	C	C	.	.			trans	-158.5	167.6	172.9	65.4	84	0	0	0	110.7	K379 T382 N460	N377-K379 VanDerWaalsContact OD1-CB 3.3Å; N377-K379 WeakPolarHBondContact OD1-CB 3.43Å; N377-K379 PolarHBondContact OD1-N 3.47Å; N377-K379 VanDerWaalsContact OD1-N 3.11Å; N377-T382 PolarHBondContact ND2-O 3.05Å; N377-T382 PolarHBondContact ND2-OG1 3.36Å; N377-T382 PolarHBondContact OD1-OG1 3.49Å; N377-N460 WeakPolarHBondContact O-CB 3.4Å; N377-N460 PolarHBondContact O-N 3.25Å
378	G	90.3	Very high	96.8	Very high	16 Å²	16	30 Å²	30	17%	0.165	18%	0.178	C	C	.	.			trans	-97.1	8.2	-178.9	0	0	0	0	0	115.4	Q455 S457 N460	G378-Q455 WeakPolarHBondContact O-CA 3.34Å; G378-S457 WeakPolarHBondContact CA-O 3.28Å; G378-S457 PolarHBondContact N-O 2.97Å; G378-N460 PolarHBondContact O-ND2 3.22Å; G378-N460 VanDerWaalsContact O-ND2 3.1Å
379	K	91.6	Very high	96.8	Very high	80 Å²	80	31.3 Å²	31.3	35%	0.348	19%	0.187	S	C	.	.			trans	-75.2	143.1	-177.6	-59.7	-78.1	-172.6	170.2	0	110.3	Y35 N377 D381 E385 N460	Y35-K379 WeakPolarHBondContact OH-CD 3.37Å; Y35-K379 WeakPolarHBondContact OH-CE 3.29Å; Y35-K379 PolarHBondContact OH-NZ 3.4Å; N377-K379 VanDerWaalsContact OD1-CB 3.3Å; N377-K379 WeakPolarHBondContact OD1-CB 3.43Å; N377-K379 PolarHBondContact OD1-N 3.47Å; N377-K379 VanDerWaalsContact OD1-N 3.11Å; K379-D381 PolarHBondContact O-N 2.65Å; K379-E385 HydrophobicContact CB-CG 4.06Å; K379-E385 HydrophobicContact CG-CG 3.94Å; K379-N460 PolarHBondContact O-ND2 3.23Å
380	A	89.7	Confident	96.8	Very high	83 Å²	83	37.3 Å²	37.3	69%	0.686	21%	0.214	S	C	*	.	S	Bend	trans	-59.6	-46.5	-178.9	0	0	0	0	0	112.2	T382	A380-T382 PolarHBondContact O-N 2.76Å
381	D	93.9	Very high	96.8	Very high	111 Å²	111	43.5 Å²	43.5	59%	0.594	24%	0.241	S	C	*	.	S	Bend	trans	-93.2	87.9	167.1	-170.8	6.1	0	0	0	109.7	K379 P384	K379-D381 PolarHBondContact O-N 2.65Å; D381-P384 WeakPolarHBondContact OD1-CD 3.42Å; D381-P384 WeakPolarHBondContact OD2-CG 3.02Å
382	T	95	Very high	96.8	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.012	24%	0.236	C	C	.	.			trans	-79.4	-23.6	-167.3	-174.8	0	0	0	0	114.3	N377 A380 M386 N460 L469	N377-T382 PolarHBondContact ND2-O 3.05Å; N377-T382 PolarHBondContact ND2-OG1 3.36Å; N377-T382 PolarHBondContact OD1-OG1 3.49Å; A380-T382 PolarHBondContact O-N 2.76Å; T382-M386 HydrophobicContact CG2-CE 4.18Å; T382-M386 WeakPolarHBondContact O-CG 3.04Å; T382-N460 HydrophobicContact CG2-CB 4.31Å; T382-L469 HydrophobicContact CG2-CD1 3.6Å; T382-L469 HydrophobicContact CG2-CD2 3.97Å; T382-L469 HydrophobicContact CG2-CG 4.21Å
383	V	97.9	Very high	96.9	Very high	39 Å²	39	46.3 Å²	46.3	24%	0.236	25%	0.25	C	C	.	.	S	Bend	trans	-73.6	-43.3	-171.1	176.3	0	0	0	0	113.2	E385 M386 L469	V383-E385 PolarHBondContact O-N 2.91Å; V383-M386 HydrophobicContact CG2-CE 4.14Å; V383-M386 WeakPolarHBondContact O-CB 3.48Å; V383-M386 PolarHBondContact O-N 3.38Å; V383-L469 HydrophobicContact CG2-CD1 3.63Å
384	P	98.2	Very high	96.9	Very high	88 Å²	88	52.2 Å²	52.2	57%	0.571	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-25.3	176	-25.1	36.2	0	0	0	113.8	D381	D381-P384 WeakPolarHBondContact OD1-CD 3.42Å; D381-P384 WeakPolarHBondContact OD2-CG 3.02Å
385	E	97.5	Very high	96.9	Very high	88 Å²	88	53.1 Å²	53.1	41%	0.411	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-14.1	-176.5	-61.1	-66.7	162.1	0	0	113.3	R345 K379 V383	R345-E385 PolarHBondContact NH1-O 2.9Å; K379-E385 HydrophobicContact CB-CG 4.06Å; K379-E385 HydrophobicContact CG-CG 3.94Å; V383-E385 PolarHBondContact O-N 2.91Å
386	M	98.7	Very high	96.9	Very high	5 Å²	5	53.1 Å²	53.1	3%	0.025	28%	0.281	C	S	.	.	S	Bend	trans	-68.8	138.1	175.9	-58.1	-177.8	-177.6	0	0	110.5	D374 V375 T382 V383 T388 T473 R476	D374-M386 CarbonylContact O-C 3.24Å; D374-M386 WeakPolarHBondContact O-CA 2.87Å; V375-M386 HydrophobicContact CB-CG 4.37Å; V375-M386 HydrophobicContact CB-SD 4.14Å; V375-M386 HydrophobicContact CG1-SD 4.43Å; V375-M386 WeakPolarHBondContact O-CE 3.28Å; V375-M386 WeakPolarHBondContact O-CG 3.34Å; T382-M386 HydrophobicContact CG2-CE 4.18Å; T382-M386 WeakPolarHBondContact O-CG 3.04Å; V383-M386 HydrophobicContact CG2-CE 4.14Å; V383-M386 WeakPolarHBondContact O-CB 3.48Å; V383-M386 PolarHBondContact O-N 3.38Å; M386-T388 PolarHBondContact O-N 2.96Å; M386-T473 HydrophobicContact CE-CG2 3.82Å; M386-T473 WeakPolarHBondContact CE-OG1 3.08Å; M386-R476 HydrophobicContact CB-CG 4.16Å; M386-R476 VanDerWaalsContact CB-NH1 3.32Å; M386-R476 PolarHBondContact O-NH1 3.05Å; M386-R476 HydrophobicContact SD-CB 4Å; M386-R476 HydrophobicContact SD-CG 4.12Å
387	T	98.8	Very high	96.9	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.012	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-55	136.4	173.9	-58.8	0	0	0	0	110.1	R345 D374 K391 M392 R476	R345-T387 WeakPolarHBondContact CD-OG1 3.29Å; R345-T387 PolarHBondContact NE-OG1 3.2Å; D374-T387 PolarHBondContact O-N 2.83Å; D374-T387 PolarHBondContact O-OG1 3.18Å; D374-T387 WeakPolarHBondContact OD1-CB 3.2Å; D374-T387 PolarHBondContact OD1-OG1 3.11Å; T387-K391 HydrophobicContact CG2-CB 3.91Å; T387-M392 HydrophobicContact CG2-CB 4.01Å; T387-M392 HydrophobicContact CG2-SD 4.36Å; T387-R476 WeakPolarHBondContact O-CD 3.38Å; T387-R476 PolarHBondContact O-NH1 3.33Å
388	T	98.9	Very high	97.1	Very high	40 Å²	40	57 Å²	57	25%	0.245	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-88.5	157.4	174.1	75.9	0	0	0	0	110.3	M386 E390 K391 M392	M386-T388 PolarHBondContact O-N 2.96Å; T388-E390 WeakPolarHBondContact CB-OE2 3.41Å; T388-E390 PolarHBondContact O-N 3.23Å; T388-E390 PolarHBondContact OG1-OE2 3.44Å; T388-K391 PolarHBondContact O-N 3.48Å; T388-K391 VanDerWaalsContact O-N 3.11Å; T388-K391 PolarHBondContact OG1-N 3.01Å; T388-M392 PolarHBondContact O-N 3.48Å
389	P	98.9	Very high	97.5	Very high	30 Å²	30	56.5 Å²	56.5	20%	0.195	29%	0.292	C	S	.	.	H	α-helix	trans	-49.9	-40.2	175.3	-31.4	39.4	0	0	0	113.9	M392 Y393 Q479 L480 T483	P389-M392 PolarHBondContact O-N 2.85Å; P389-Y393 WeakPolarHBondContact O-CB 3.01Å; P389-Y393 PolarHBondContact O-N 3.09Å; P389-Q479 HydrophobicContact CG-CB 4.12Å; P389-L480 HydrophobicContact CG-CD2 4.29Å; P389-T483 WeakPolarHBondContact CB-OG1 3.2Å
390	E	98.8	Very high	97.8	Very high	133 Å²	133	52.7 Å²	52.7	62%	0.621	28%	0.276	S	S	*	.	H	α-helix	trans	-67.6	-42.7	-179.2	-54	70.5	-149.1	0	0	111.3	T388 Y393 F394	T388-E390 WeakPolarHBondContact CB-OE2 3.41Å; T388-E390 PolarHBondContact O-N 3.23Å; T388-E390 PolarHBondContact OG1-OE2 3.44Å; E390-Y393 PolarHBondContact O-N 3.04Å; E390-F394 PolarHBondContact O-N 3.49Å
391	K	98.7	Very high	98.2	Very high	130 Å²	130	55.3 Å²	55.3	57%	0.565	27%	0.272	S	S	*	.	H	α-helix	trans	-67.5	-38.9	176.3	-72.2	-179	179.3	177.4	0	111.6	T387 T388 F394 S395	T387-K391 HydrophobicContact CG2-CB 3.91Å; T388-K391 PolarHBondContact O-N 3.48Å; T388-K391 VanDerWaalsContact O-N 3.11Å; T388-K391 PolarHBondContact OG1-N 3.01Å; K391-F394 PolarHBondContact O-N 3.47Å; K391-S395 WeakPolarHBondContact O-CB 3.26Å; K391-S395 PolarHBondContact O-N 2.76Å; K391-S395 PolarHBondContact O-OG 3.17Å
392	M	98.8	Very high	98.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.3	-49.7	174.1	-170.6	75.3	-176.8	0	0	110.1	S344 Y368 D374 T387 T388 P389 F394 S395 V396 L480 T483 L484	S344-M392 WeakPolarHBondContact CB-SD 3.48Å; S344-M392 PolarHBondContact OG-SD 2.66Å; S344-M392 VanDerWaalsContact OG-SD 3.42Å; Y368-M392 HydrophobicContact CE1-CE 4.2Å; D374-M392 HydrophobicContact CB-SD 4.48Å; T387-M392 HydrophobicContact CG2-CB 4.01Å; T387-M392 HydrophobicContact CG2-SD 4.36Å; T388-M392 PolarHBondContact O-N 3.48Å; P389-M392 PolarHBondContact O-N 2.85Å; M392-F394 PolarHBondContact O-N 3.15Å; M392-S395 PolarHBondContact O-N 2.81Å; M392-V396 HydrophobicContact CE-CG2 4Å; M392-V396 HydrophobicContact CG-CG2 4.28Å; M392-V396 WeakPolarHBondContact O-CB 3.2Å; M392-V396 WeakPolarHBondContact O-CG2 3.32Å; M392-V396 PolarHBondContact O-N 3.27Å; M392-V396 HydrophobicContact SD-CG2 4.45Å; M392-L480 HydrophobicContact CB-CD2 3.86Å; M392-L480 HydrophobicContact CG-CD2 4.22Å; M392-L480 HydrophobicContact SD-CD1 4.38Å; M392-T483 HydrophobicContact CB-CG2 4.43Å; M392-L484 HydrophobicContact CE-CD1 3.87Å; M392-L484 HydrophobicContact CE-CD2 3.7Å; M392-L484 HydrophobicContact CE-CG 3.92Å
393	Y	98.9	Very high	98.6	Very high	82 Å²	82	52.3 Å²	52.3	32%	0.322	25%	0.254	S	S	.	.	H	α-helix	trans	-56.3	-51.3	178.1	-179.2	-86.5	0	0	0	111.9	P389 E390 S395 V396 M397 T483 I487 E491	P389-Y393 WeakPolarHBondContact O-CB 3.01Å; P389-Y393 PolarHBondContact O-N 3.09Å; E390-Y393 PolarHBondContact O-N 3.04Å; Y393-S395 PolarHBondContact O-N 2.79Å; Y393-V396 PolarHBondContact O-N 3.18Å; Y393-M397 HydrophobicContact CD1-CG 4.1Å; Y393-M397 HydrophobicContact CE1-CG 3.73Å; Y393-M397 HydrophobicContact CE2-CG 4.22Å; Y393-M397 HydrophobicContact CG-CG 4.49Å; Y393-M397 WeakPolarHBondContact O-CB 3.32Å; Y393-M397 VanDerWaalsContact O-CG 3.29Å; Y393-M397 WeakPolarHBondContact O-CG 3.27Å; Y393-M397 PolarHBondContact O-N 3.46Å; Y393-T483 HydrophobicContact CD2-CG2 4.46Å; Y393-I487 HydrophobicContact CD2-CD1 3.72Å; Y393-I487 HydrophobicContact CD2-CG1 3.5Å; Y393-I487 HydrophobicContact CE2-CD1 4.32Å; Y393-I487 HydrophobicContact CE2-CG1 3.67Å; Y393-I487 HydrophobicContact CG-CD1 4.38Å; Y393-E491 PolarHBondContact OH-OE1 2.77Å
394	F	98.7	Very high	98.7	Very high	142 Å²	142	52 Å²	52	62%	0.623	25%	0.251	S	S	*	.	H	α-helix	trans	-57.6	-47.9	179.4	178.6	-93.3	0	0	0	112.2	E390 K391 M392 M397 Q398	E390-F394 PolarHBondContact O-N 3.49Å; K391-F394 PolarHBondContact O-N 3.47Å; M392-F394 PolarHBondContact O-N 3.15Å; F394-M397 PolarHBondContact O-N 3.18Å; F394-Q398 PolarHBondContact O-N 3.34Å
395	S	98.7	Very high	98.7	Very high	18 Å²	18	50.9 Å²	50.9	13%	0.126	25%	0.245	C	C	.	.	H	α-helix	trans	-69.7	-38.9	-175.1	-51.2	0	0	0	0	112.3	S344 K391 M392 Y393 Q398 T399	S344-S395 VanDerWaalsContact O-CB 3.28Å; S344-S395 WeakPolarHBondContact O-CB 3.43Å; K391-S395 WeakPolarHBondContact O-CB 3.26Å; K391-S395 PolarHBondContact O-N 2.76Å; K391-S395 PolarHBondContact O-OG 3.17Å; M392-S395 PolarHBondContact O-N 2.81Å; Y393-S395 PolarHBondContact O-N 2.79Å; S395-Q398 PolarHBondContact O-N 3.39Å; S395-T399 PolarHBondContact O-N 3.39Å; S395-T399 VanDerWaalsContact O-N 3.08Å; S395-T399 PolarHBondContact O-OG1 2.88Å
396	V	98.9	Very high	98.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-69.1	-41.2	176.1	175.1	0	0	0	0	110.7	Y368 M392 Y393 Q398 T399 L400 L415 L484 I487	Y368-V396 HydrophobicContact CE1-CG2 4.32Å; M392-V396 HydrophobicContact CE-CG2 4Å; M392-V396 HydrophobicContact CG-CG2 4.28Å; M392-V396 WeakPolarHBondContact O-CB 3.2Å; M392-V396 WeakPolarHBondContact O-CG2 3.32Å; M392-V396 PolarHBondContact O-N 3.27Å; M392-V396 HydrophobicContact SD-CG2 4.45Å; Y393-V396 PolarHBondContact O-N 3.18Å; V396-Q398 VanDerWaalsContact C-N 3.31Å; V396-Q398 PolarHBondContact O-N 3.18Å; V396-T399 WeakPolarHBondContact O-CB 3.31Å; V396-T399 PolarHBondContact O-N 3.06Å; V396-T399 VanDerWaalsContact O-N 3.11Å; V396-L400 HydrophobicContact CG1-CD1 3.87Å; V396-L400 HydrophobicContact CG1-CG 4.18Å; V396-L400 WeakPolarHBondContact O-CG 3.39Å; V396-L400 PolarHBondContact O-N 3.17Å; V396-L415 HydrophobicContact CG1-CD1 4.26Å; V396-L415 HydrophobicContact CG1-CD2 4.39Å; V396-L484 HydrophobicContact CB-CD2 4.49Å; V396-L484 HydrophobicContact CG1-CD2 4.14Å; V396-L484 HydrophobicContact CG2-CD2 3.72Å; V396-I487 HydrophobicContact CB-CD1 3.99Å; V396-I487 HydrophobicContact CG1-CD1 3.87Å; V396-I487 HydrophobicContact CG1-CG2 4.43Å
397	M	98.8	Very high	98.7	Very high	18 Å²	18	49.9 Å²	49.9	9%	0.089	24%	0.24	C	C	.	.	H	α-helix	trans	-63.4	-36.6	175.4	-73.6	-53.6	-70.1	0	0	112.8	Y393 F394 T399 L400 K401 I487 E491 F493	Y393-M397 HydrophobicContact CD1-CG 4.1Å; Y393-M397 HydrophobicContact CE1-CG 3.73Å; Y393-M397 HydrophobicContact CE2-CG 4.22Å; Y393-M397 HydrophobicContact CG-CG 4.49Å; Y393-M397 WeakPolarHBondContact O-CB 3.32Å; Y393-M397 VanDerWaalsContact O-CG 3.29Å; Y393-M397 WeakPolarHBondContact O-CG 3.27Å; Y393-M397 PolarHBondContact O-N 3.46Å; F394-M397 PolarHBondContact O-N 3.18Å; M397-T399 VanDerWaalsContact C-N 3.34Å; M397-L400 HydrophobicContact SD-CD1 4.19Å; M397-K401 WeakPolarHBondContact O-CB 3.29Å; M397-K401 VanDerWaalsContact O-CG 3.27Å; M397-K401 WeakPolarHBondContact O-CG 3.32Å; M397-K401 PolarHBondContact O-N 3.47Å; M397-I487 HydrophobicContact SD-CG2 3.97Å; M397-E491 HydrophobicContact CE-CB 4.34Å; M397-E491 HydrophobicContact CE-CG 3.82Å; M397-E491 WeakPolarHBondContact CE-OE2 3.49Å; M397-E491 HydrophobicContact SD-CB 4.42Å; M397-E491 HydrophobicContact SD-CG 3.73Å; M397-F493 HydrophobicContact CE-CZ 3.95Å; M397-F493 HydrophobicContact SD-CZ 4.43Å
398	Q	98.7	Very high	98.7	Very high	89 Å²	89	49.9 Å²	49.9	42%	0.416	24%	0.24	S	C	.	.	H	α-helix	trans	-61.9	-44.2	171.9	-175.9	178.5	-0.2	0	0	111.3	F394 S395 V396 K401 H402	F394-Q398 PolarHBondContact O-N 3.34Å; S395-Q398 PolarHBondContact O-N 3.39Å; V396-Q398 VanDerWaalsContact C-N 3.31Å; V396-Q398 PolarHBondContact O-N 3.18Å; Q398-K401 PolarHBondContact O-N 3.4Å; Q398-H402 PolarHBondContact O-N 2.04Å
399	T	98.8	Very high	98.7	Very high	6 Å²	6	53.6 Å²	53.6	4%	0.037	26%	0.259	C	S	.	.	H	α-helix	trans	-60.3	-49.8	177	-63.2	0	0	0	0	111.7	L260 L347 I351 Y368 S395 V396 M397 K401 H402 L403	L260-T399 HydrophobicContact CD1-CG2 4.29Å; L347-T399 HydrophobicContact CD2-CG2 3.72Å; I351-T399 HydrophobicContact CD1-CG2 3.75Å; Y368-T399 HydrophobicContact CD2-CG2 4.2Å; Y368-T399 HydrophobicContact CE2-CG2 4.17Å; S395-T399 PolarHBondContact O-N 3.39Å; S395-T399 VanDerWaalsContact O-N 3.08Å; S395-T399 PolarHBondContact O-OG1 2.88Å; V396-T399 WeakPolarHBondContact O-CB 3.31Å; V396-T399 PolarHBondContact O-N 3.06Å; V396-T399 VanDerWaalsContact O-N 3.11Å; M397-T399 VanDerWaalsContact C-N 3.34Å; T399-K401 PolarHBondContact O-N 2.58Å; T399-H402 WeakPolarHBondContact O-CB 3.48Å; T399-H402 PolarHBondContact O-N 3.08Å; T399-H402 VanDerWaalsContact O-N 3.16Å; T399-L403 HydrophobicContact CG2-CD1 4.17Å; T399-L403 HydrophobicContact CG2-CG 4.49Å; T399-L403 WeakPolarHBondContact O-CG 3.36Å; T399-L403 PolarHBondContact O-N 2.8Å
400	L	98.9	Very high	98.7	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-65.3	-37.3	-178.1	-66.8	171.8	0	0	0	112.4	V396 M397 L403 N404 V413 L415 I487 F493 F496 L498	V396-L400 HydrophobicContact CG1-CD1 3.87Å; V396-L400 HydrophobicContact CG1-CG 4.18Å; V396-L400 WeakPolarHBondContact O-CG 3.39Å; V396-L400 PolarHBondContact O-N 3.17Å; M397-L400 HydrophobicContact SD-CD1 4.19Å; L400-L403 HydrophobicContact CD2-CD1 4.43Å; L400-L403 PolarHBondContact O-N 3.23Å; L400-N404 WeakPolarHBondContact O-CB 3.34Å; L400-N404 PolarHBondContact O-N 3.05Å; L400-V413 HydrophobicContact CD2-CG1 3.88Å; L400-L415 HydrophobicContact CD2-CD2 4.35Å; L400-I487 HydrophobicContact CD1-CG2 3.58Å; L400-F493 HydrophobicContact CB-CE1 3.78Å; L400-F493 HydrophobicContact CB-CE2 3.87Å; L400-F493 HydrophobicContact CB-CZ 3.34Å; L400-F493 HydrophobicContact CD1-CE2 3.88Å; L400-F493 HydrophobicContact CD1-CZ 3.96Å; L400-F493 HydrophobicContact CG-CE2 4.38Å; L400-F493 HydrophobicContact CG-CZ 4.25Å; L400-F496 HydrophobicContact CB-CZ 4.29Å; L400-F496 HydrophobicContact CD2-CE2 4.13Å; L400-F496 HydrophobicContact CD2-CZ 4.07Å; L400-L498 HydrophobicContact CD1-CD1 4.47Å; L400-L498 HydrophobicContact CD1-CD2 3.76Å; L400-L498 HydrophobicContact CD2-CD1 3.79Å; L400-L498 HydrophobicContact CD2-CD2 4.45Å
401	K	98.8	Very high	98.7	Very high	138 Å²	138	47.6 Å²	47.6	60%	0.6	24%	0.238	S	C	*	.	H	α-helix	trans	-62.2	-42.8	172.1	-74.3	174.1	-177.4	-179.5	0	112	M397 Q398 T399 N404 S405 F493	M397-K401 WeakPolarHBondContact O-CB 3.29Å; M397-K401 VanDerWaalsContact O-CG 3.27Å; M397-K401 WeakPolarHBondContact O-CG 3.32Å; M397-K401 PolarHBondContact O-N 3.47Å; Q398-K401 PolarHBondContact O-N 3.4Å; T399-K401 PolarHBondContact O-N 2.58Å; K401-N404 PolarHBondContact O-N 3.35Å; K401-S405 PolarHBondContact O-N 2.98Å; K401-F493 HydrophobicContact CG-CE1 4.32Å
402	H	98.6	Very high	98.7	Very high	48 Å²	48	42.2 Å²	42.2	22%	0.222	22%	0.215	C	C	.	.	H	α-helix	trans	-61.2	-49.6	174.9	176.8	85.4	0	0	0	111.1	Q398 T399 N404 S405 Q406	Q398-H402 PolarHBondContact O-N 2.04Å; T399-H402 WeakPolarHBondContact O-CB 3.48Å; T399-H402 PolarHBondContact O-N 3.08Å; T399-H402 VanDerWaalsContact O-N 3.16Å; H402-N404 VanDerWaalsContact C-N 3.26Å; H402-N404 PolarHBondContact O-N 2.88Å; H402-S405 PolarHBondContact O-N 3.09Å; H402-S405 PolarHBondContact O-OG 2.59Å; H402-Q406 PolarHBondContact O-N 2.03Å
403	L	98.8	Very high	98.7	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-57.2	-38.8	176.7	-69.3	175.6	0	0	0	112.1	L260 I351 L354 V366 T399 L400 S405 Q406 L407 V413 F496	L260-L403 HydrophobicContact CD1-CD1 3.97Å; L260-L403 HydrophobicContact CD1-CD2 4.25Å; I351-L403 HydrophobicContact CD1-CD2 4.37Å; I351-L403 HydrophobicContact CD1-CG 4.49Å; L354-L403 HydrophobicContact CD1-CD2 3.88Å; V366-L403 HydrophobicContact CG1-CD1 4.36Å; T399-L403 HydrophobicContact CG2-CD1 4.17Å; T399-L403 HydrophobicContact CG2-CG 4.49Å; T399-L403 WeakPolarHBondContact O-CG 3.36Å; T399-L403 PolarHBondContact O-N 2.8Å; L400-L403 HydrophobicContact CD2-CD1 4.43Å; L400-L403 PolarHBondContact O-N 3.23Å; L403-S405 PolarHBondContact O-N 2.92Å; L403-Q406 PolarHBondContact O-N 3.42Å; L403-L407 HydrophobicContact CB-CD1 3.98Å; L403-L407 HydrophobicContact CB-CG 4.38Å; L403-L407 HydrophobicContact CD2-CD1 4.37Å; L403-L407 WeakPolarHBondContact O-CB 3.42Å; L403-L407 WeakPolarHBondContact O-CG 3.34Å; L403-L407 PolarHBondContact O-N 3.26Å; L403-V413 HydrophobicContact CD1-CG1 4.42Å; L403-V413 HydrophobicContact CD1-CG2 4.32Å; L403-F496 HydrophobicContact CB-CE1 3.99Å; L403-F496 HydrophobicContact CB-CZ 4.5Å
404	N	98.8	Very high	98.7	Very high	34 Å²	34	38.3 Å²	38.3	18%	0.182	20%	0.2	C	C	.	.	H	α-helix	trans	-65.6	-25.8	180	-169.2	62.4	0	0	0	112.3	Q358 L400 K401 H402 F493 T494 N495 F496	Q358-N404 PolarHBondContact NE2-O 3.31Å; L400-N404 WeakPolarHBondContact O-CB 3.34Å; L400-N404 PolarHBondContact O-N 3.05Å; K401-N404 PolarHBondContact O-N 3.35Å; H402-N404 VanDerWaalsContact C-N 3.26Å; H402-N404 PolarHBondContact O-N 2.88Å; N404-F493 HydrophobicContact CB-CB 4.45Å; N404-F493 HydrophobicContact CB-CD1 3.85Å; N404-T494 PolarHBondContact ND2-OG1 2.75Å; N404-T494 PolarHBondContact OD1-N 3.33Å; N404-T494 VanDerWaalsContact OD1-N 3.15Å; N404-T494 PolarHBondContact OD1-OG1 3.11Å; N404-N495 PolarHBondContact O-ND2 3.23Å; N404-N495 PolarHBondContact OD1-N 3.32Å; N404-F496 HydrophobicContact CB-CE1 3.74Å; N404-F496 HydrophobicContact CB-CZ 4.43Å
405	S	98.1	Very high	98.7	Very high	63 Å²	63	31.6 Å²	31.6	44%	0.441	17%	0.17	S	C	.	.	H	α-helix	trans	-83	-14.6	175.4	72.8	0	0	0	0	114.2	K401 H402 L403	K401-S405 PolarHBondContact O-N 2.98Å; H402-S405 PolarHBondContact O-N 3.09Å; H402-S405 PolarHBondContact O-OG 2.59Å; L403-S405 PolarHBondContact O-N 2.92Å
406	Q	97.9	Very high	98.6	Very high	72 Å²	72	31.4 Å²	31.4	34%	0.336	17%	0.167	S	C	.	.	H	α-helix	trans	-110.5	-39.6	-174	-63.6	-62.2	-34.3	0	0	112.9	Q358 H402 L403	Q358-Q406 WeakPolarHBondContact CA-O 3.16Å; Q358-Q406 WeakPolarHBondContact CB-O 3.45Å; Q358-Q406 PolarHBondContact N-O 3.44Å; H402-Q406 PolarHBondContact O-N 2.03Å; L403-Q406 PolarHBondContact O-N 3.42Å
407	L	98.8	Very high	98.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-73.3	136.7	-173.7	-65.9	177.5	0	0	0	111.4	Q358 A364 V366 L403 V413 N495 F496	Q358-L407 PolarHBondContact NE2-O 2.88Å; A364-L407 HydrophobicContact CB-CD2 4.46Å; V366-L407 HydrophobicContact CG2-CD1 3.73Å; V366-L407 HydrophobicContact CG2-CD2 3.91Å; V366-L407 HydrophobicContact CG2-CG 4.49Å; L403-L407 HydrophobicContact CB-CD1 3.98Å; L403-L407 HydrophobicContact CB-CG 4.38Å; L403-L407 HydrophobicContact CD2-CD1 4.37Å; L403-L407 WeakPolarHBondContact O-CB 3.42Å; L403-L407 WeakPolarHBondContact O-CG 3.34Å; L403-L407 PolarHBondContact O-N 3.26Å; L407-V413 HydrophobicContact CD1-CG2 4.01Å; L407-N495 WeakPolarHBondContact O-CB 3.32Å; L407-F496 HydrophobicContact CD1-CD1 3.92Å; L407-F496 HydrophobicContact CD1-CE1 4.46Å
408	P	98.8	Very high	98.6	Very high	2 Å²	2	31 Å²	31	1%	0.013	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-58.6	147.4	166.4	-23.6	34.1	0	0	0	111.5	R356 D361 S411	R356-P408 HydrophobicContact CG-CG 4.22Å; D361-P408 HydrophobicContact CB-CG 4.28Å; D361-P408 VanDerWaalsContact O-CG 3.28Å; D361-P408 WeakPolarHBondContact O-CG 3.05Å; P408-S411 WeakPolarHBondContact O-CB 3.14Å; P408-S411 PolarHBondContact O-N 3.47Å; P408-S411 PolarHBondContact O-OG 2.87Å
409	N	98.6	Very high	98.5	Very high	118 Å²	118	27.5 Å²	27.5	63%	0.631	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	144.1	174.4	-172	22.4	0	0	0	111.2	T494 N495	N409-T494 PolarHBondContact OD1-O 3.2Å; N409-N495 WeakPolarHBondContact CA-O 3.33Å
410	G	98.2	Very high	98.5	Very high	37 Å²	37	31.4 Å²	31.4	38%	0.381	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	8.7	-173.5	0	0	0	0	0	114	N495	G410-N495 PolarHBondContact N-O 3.09Å
411	S	98.9	Very high	98.4	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.007	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	167.1	172.8	-65.4	0	0	0	0	111.9	P363 A364 P408 N495 F496 N497	P363-S411 WeakPolarHBondContact CA-OG 3.26Å; A364-S411 PolarHBondContact N-OG 3.35Å; A364-S411 WeakPolarHBondContact O-CA 3.43Å; A364-S411 VanDerWaalsContact O-CB 3.27Å; A364-S411 WeakPolarHBondContact O-CB 3.26Å; P408-S411 WeakPolarHBondContact O-CB 3.14Å; P408-S411 PolarHBondContact O-N 3.47Å; P408-S411 PolarHBondContact O-OG 2.87Å; S411-N495 PolarHBondContact N-O 3.08Å; S411-N495 VanDerWaalsContact N-O 3.17Å; S411-F496 WeakPolarHBondContact O-CA 3.36Å; S411-F496 VanDerWaalsContact O-CB 3.23Å; S411-F496 WeakPolarHBondContact O-CB 3.31Å; S411-N497 PolarHBondContact O-N 3.08Å
412	H	98.9	Very high	98.3	Very high	16 Å²	16	26.4 Å²	26.4	7%	0.074	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	131.3	178.6	-58.3	-59.8	0	0	0	109.8	A364 I365 V366 F499 I554	A364-H412 PolarHBondContact O-N 3.41Å; I365-H412 CarbonylContact C-O 3.17Å; I365-H412 WeakPolarHBondContact CA-O 3.27Å; V366-H412 PolarHBondContact N-O 3.06Å; H412-F499 HydrophobicContact CB-CE2 4.21Å; H412-F499 AromaticContact ND1-CE2 3.96Å; H412-I554 HydrophobicContact CB-CG1 4.23Å; H412-I554 HydrophobicContact CB-CG2 4.05Å
413	V	98.9	Very high	98.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	129.9	176.8	-179.4	0	0	0	0	109.1	V366 L400 L403 L407 L415 F496 N497 L498 F499	V366-V413 HydrophobicContact CB-CG2 4.16Å; V366-V413 CarbonylContact O-C 3Å; V366-V413 WeakPolarHBondContact O-CA 3.33Å; L400-V413 HydrophobicContact CD2-CG1 3.88Å; L403-V413 HydrophobicContact CD1-CG1 4.42Å; L403-V413 HydrophobicContact CD1-CG2 4.32Å; L407-V413 HydrophobicContact CD1-CG2 4.01Å; V413-L415 HydrophobicContact CG1-CD2 4.33Å; V413-F496 HydrophobicContact CB-CD2 3.81Å; V413-F496 HydrophobicContact CB-CE2 4.03Å; V413-F496 HydrophobicContact CB-CG 4.43Å; V413-F496 HydrophobicContact CG2-CB 4.1Å; V413-F496 HydrophobicContact CG2-CD1 3.98Å; V413-F496 HydrophobicContact CG2-CD2 3.38Å; V413-F496 HydrophobicContact CG2-CE1 4.22Å; V413-F496 HydrophobicContact CG2-CE2 3.69Å; V413-F496 HydrophobicContact CG2-CG 3.55Å; V413-F496 HydrophobicContact CG2-CZ 4.1Å; V413-N497 PolarHBondContact N-O 2.78Å; V413-L498 HydrophobicContact CB-CD1 3.68Å; V413-L498 HydrophobicContact CG1-CD1 3.62Å; V413-L498 CarbonylContact O-C 3.34Å; V413-L498 WeakPolarHBondContact O-CA 3.4Å; V413-F499 PolarHBondContact O-N 3.39Å
414	I	98.9	Very high	98.2	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	117.2	178.7	-53.4	177	0	0	0	108.3	I365 V366 Y368 F499 M501 I547 I554	I365-I414 HydrophobicContact CG2-CD1 4.25Å; V366-I414 PolarHBondContact O-N 2.91Å; Y368-I414 PolarHBondContact N-O 3.43Å; I414-F499 HydrophobicContact CG1-CB 4.3Å; I414-F499 HydrophobicContact CG1-CD2 4.43Å; I414-M501 HydrophobicContact CG2-CB 4.15Å; I414-I547 HydrophobicContact CD1-CD1 3.48Å; I414-I547 VanDerWaalsContact CD1-CD1 3.48Å; I414-I547 HydrophobicContact CD1-CG1 4.03Å; I414-I554 HydrophobicContact CD1-CD1 4.34Å; I414-I554 HydrophobicContact CD1-CG2 4.47Å
415	L	98.9	Very high	98.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	119.5	171.8	-56.1	-176.1	0	0	0	109.3	Y368 V396 L400 V413 L484 I487 A488 L498 F499 Y500 M501	Y368-L415 HydrophobicContact CD1-CD2 4.09Å; Y368-L415 HydrophobicContact CG-CD2 3.91Å; V396-L415 HydrophobicContact CG1-CD1 4.26Å; V396-L415 HydrophobicContact CG1-CD2 4.39Å; L400-L415 HydrophobicContact CD2-CD2 4.35Å; V413-L415 HydrophobicContact CG1-CD2 4.33Å; L415-L484 HydrophobicContact CB-CB 4.34Å; L415-L484 HydrophobicContact CB-CD2 4.44Å; L415-L484 HydrophobicContact CD1-CB 4.44Å; L415-L484 HydrophobicContact CD1-CD2 4.12Å; L415-I487 HydrophobicContact CD1-CB 4.27Å; L415-I487 HydrophobicContact CD1-CG2 3.98Å; L415-A488 HydrophobicContact CD1-CB 4.3Å; L415-L498 HydrophobicContact CD1-CD1 4.25Å; L415-L498 HydrophobicContact CD1-CD2 4.45Å; L415-L498 HydrophobicContact CD2-CD1 4.25Å; L415-L498 HydrophobicContact CG-CD1 3.93Å; L415-F499 PolarHBondContact N-O 3.11Å; L415-Y500 HydrophobicContact CB-CD2 4.39Å; L415-Y500 CarbonylContact O-C 3.53Å; L415-Y500 WeakPolarHBondContact O-CA 3.48Å; L415-Y500 WeakPolarHBondContact O-CD2 3.34Å; L415-M501 PolarHBondContact O-N 3.34Å
416	Y	97.9	Very high	98.1	Very high	15 Å²	15	26.9 Å²	26.9	6%	0.059	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	130.4	177.6	-136.4	-126.3	0	0	0	110.5	Y368 I371 L484 M501 F503 V543	Y368-Y416 VanDerWaalsContact O-CB 3.26Å; Y368-Y416 WeakPolarHBondContact O-CB 3.36Å; Y368-Y416 PolarHBondContact O-N 2.9Å; I371-Y416 HydrophobicContact CG2-CD1 4.03Å; Y416-L484 WeakPolarHBondContact O-CD1 3.36Å; Y416-M501 CarbonylContact C-O 3.59Å; Y416-M501 WeakPolarHBondContact CA-O 3.42Å; Y416-M501 HydrophobicContact CD2-CB 3.87Å; Y416-M501 HydrophobicContact CD2-CG 4.27Å; Y416-M501 HydrophobicContact CE2-CB 3.86Å; Y416-M501 HydrophobicContact CE2-CG 3.73Å; Y416-M501 HydrophobicContact CE2-SD 3.65Å; Y416-F503 AromaticContact CD1-CD2 3.58Å; Y416-F503 HydrophobicContact CD1-CD2 3.58Å; Y416-F503 HydrophobicContact CD1-CE2 4.23Å; Y416-F503 HydrophobicContact CE1-CB 4.47Å; Y416-F503 AromaticContact CE1-CD2 3.3Å; Y416-F503 HydrophobicContact CE1-CD2 3.3Å; Y416-F503 AromaticContact CE1-CE2 3.8Å; Y416-F503 HydrophobicContact CE1-CE2 3.8Å; Y416-F503 HydrophobicContact CE1-CG 4.2Å; Y416-V543 HydrophobicContact CE2-CG2 3.59Å; Y416-V543 WeakPolarHBondContact OH-CG2 3.4Å
417	G	98.3	Very high	98.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-63	166.9	172.7	0	0	0	0	0	112.1	M501 F503	G417-M501 PolarHBondContact N-O 2.82Å; G417-F503 WeakPolarHBondContact O-CB 3.14Å
418	L	98.6	Very high	98.1	Very high	9 Å²	9	24.8 Å²	24.8	5%	0.047	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-87.3	148.6	173.2	-73.6	75.6	0	0	0	109.7	D374 V375 A477 L480 S481 L484	D374-L418 HydrophobicContact CB-CD2 4.47Å; V375-L418 HydrophobicContact CG1-CD2 4.17Å; V375-L418 HydrophobicContact CG2-CD2 4.3Å; L418-A477 HydrophobicContact CB-CB 3.92Å; L418-A477 HydrophobicContact CD2-CB 4.26Å; L418-L480 HydrophobicContact CD1-CB 4.07Å; L418-L480 HydrophobicContact CD2-CB 4.37Å; L418-L480 HydrophobicContact CD2-CD1 4.11Å; L418-S481 PolarHBondContact N-OG 3.36Å; L418-L484 HydrophobicContact CD1-CD1 4.05Å
419	P	97.3	Very high	98.1	Very high	15 Å²	15	26.9 Å²	26.9	10%	0.097	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-66	156.6	173.8	25.8	-32.3	0	0	0	112.4	I371 W462 F503	I371-P419 WeakPolarHBondContact O-CD 3.5Å; I371-P419 VanDerWaalsContact O-CG 3.3Å; I371-P419 WeakPolarHBondContact O-CG 3.31Å; P419-W462 HydrophobicContact CG-CH2 3.94Å; P419-W462 HydrophobicContact CG-CZ3 4.19Å; P419-W462 VanDerWaalsContact O-CH2 3.31Å; P419-W462 WeakPolarHBondContact O-CH2 3.49Å; P419-W462 VanDerWaalsContact O-CZ2 3.23Å; P419-W462 WeakPolarHBondContact O-CZ2 3.28Å; P419-F503 HydrophobicContact CB-CD1 3.46Å; P419-F503 VanDerWaalsContact CB-CD1 3.46Å; P419-F503 HydrophobicContact CB-CE1 3.6Å; P419-F503 HydrophobicContact CB-CG 4.11Å; P419-F503 HydrophobicContact CB-CZ 4.39Å; P419-F503 HydrophobicContact CG-CD1 4.39Å; P419-F503 HydrophobicContact CG-CE1 4.37Å
420	D	97.5	Very high	98.1	Very high	88 Å²	88	26.8 Å²	26.8	47%	0.471	15%	0.15	S	C	.	.			trans	-82.8	102.3	148.9	-177.4	-7.3	0	0	0	108.3	T422 F423 S474	D420-T422 VanDerWaalsContact C-N 3.27Å; D420-T422 VanDerWaalsContact CG-OG1 3.26Å; D420-T422 PolarHBondContact O-N 2.85Å; D420-T422 WeakPolarHBondContact OD1-CB 3.15Å; D420-T422 VanDerWaalsContact OD1-CG2 3.23Å; D420-T422 WeakPolarHBondContact OD1-CG2 3.41Å; D420-T422 PolarHBondContact OD1-N 3.31Å; D420-T422 PolarHBondContact OD1-OG1 3.33Å; D420-T422 PolarHBondContact OD2-OG1 2.77Å; D420-F423 VanDerWaalsContact O-CD1 3.23Å; D420-F423 WeakPolarHBondContact O-CD1 3.27Å; D420-S474 WeakPolarHBondContact OD1-CB 3.5Å; D420-S474 PolarHBondContact OD1-OG 3.22Å
421	G	97.1	Very high	98.1	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.01	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	7.4	-177.5	0	0	0	0	0	115.5	F423 L424 W462	G421-F423 PolarHBondContact O-N 3.45Å; G421-L424 WeakPolarHBondContact O-CB 3.47Å; G421-L424 WeakPolarHBondContact O-CG 3.13Å; G421-L424 PolarHBondContact O-N 2.91Å; G421-L424 VanDerWaalsContact O-N 3.17Å; G421-W462 VanDerWaalsContact N-CE2 3.33Å
422	T	97.6	Very high	98.1	Very high	34 Å²	34	33.1 Å²	33.1	21%	0.209	17%	0.166	C	C	.	.	H	α-helix	trans	-59.4	-31.6	-179.7	48.7	0	0	0	0	113.3	D420 L424 W425 D426 R470 S474	D420-T422 VanDerWaalsContact C-N 3.27Å; D420-T422 VanDerWaalsContact CG-OG1 3.26Å; D420-T422 PolarHBondContact O-N 2.85Å; D420-T422 WeakPolarHBondContact OD1-CB 3.15Å; D420-T422 VanDerWaalsContact OD1-CG2 3.23Å; D420-T422 WeakPolarHBondContact OD1-CG2 3.41Å; D420-T422 PolarHBondContact OD1-N 3.31Å; D420-T422 PolarHBondContact OD1-OG1 3.33Å; D420-T422 PolarHBondContact OD2-OG1 2.77Å; T422-L424 PolarHBondContact O-N 2.98Å; T422-L424 VanDerWaalsContact O-N 3.13Å; T422-W425 PolarHBondContact O-N 2.84Å; T422-D426 PolarHBondContact O-N 3.3Å; T422-R470 HydrophobicContact CG2-CB 4.26Å; T422-S474 WeakPolarHBondContact CG2-OG 3.28Å
423	F	95.9	Very high	98.1	Very high	30 Å²	30	32.4 Å²	32.4	13%	0.132	16%	0.163	C	C	.	.	H	α-helix	trans	-59.8	-24.1	178.6	77.7	-87.6	0	0	0	113.4	D420 G421 D426 S427 F505 I509 I523	D420-F423 VanDerWaalsContact O-CD1 3.23Å; D420-F423 WeakPolarHBondContact O-CD1 3.27Å; G421-F423 PolarHBondContact O-N 3.45Å; F423-D426 PolarHBondContact O-N 2.95Å; F423-S427 WeakPolarHBondContact O-CB 3.41Å; F423-S427 PolarHBondContact O-N 3.27Å; F423-S427 PolarHBondContact O-OG 3.16Å; F423-F505 AromaticContact CD1-CD1 3.84Å; F423-F505 HydrophobicContact CD1-CD1 3.84Å; F423-F505 HydrophobicContact CD1-CE1 4.32Å; F423-F505 HydrophobicContact CD2-CD1 4.02Å; F423-F505 AromaticContact CD2-CE1 3.72Å; F423-F505 HydrophobicContact CD2-CE1 3.72Å; F423-F505 HydrophobicContact CE1-CB 4.48Å; F423-F505 AromaticContact CE1-CD1 3.47Å; F423-F505 HydrophobicContact CE1-CD1 3.47Å; F423-F505 VanDerWaalsContact CE1-CD1 3.47Å; F423-F505 AromaticContact CE1-CE1 3.82Å; F423-F505 HydrophobicContact CE1-CE1 3.82Å; F423-F505 AromaticContact CE1-CG 3.99Å; F423-F505 HydrophobicContact CE1-CG 3.99Å; F423-F505 AromaticContact CE2-CD1 3.67Å; F423-F505 HydrophobicContact CE2-CD1 3.67Å; F423-F505 AromaticContact CE2-CE1 3.13Å; F423-F505 HydrophobicContact CE2-CE1 3.13Å; F423-F505 AromaticContact CE2-CZ 3.8Å; F423-F505 HydrophobicContact CE2-CZ 3.8Å; F423-F505 HydrophobicContact CG-CD1 4.11Å; F423-F505 HydrophobicContact CG-CE1 4.3Å; F423-F505 AromaticContact CZ-CD1 3.39Å; F423-F505 HydrophobicContact CZ-CD1 3.39Å; F423-F505 AromaticContact CZ-CE1 3.19Å; F423-F505 HydrophobicContact CZ-CE1 3.19Å; F423-F505 HydrophobicContact CZ-CE2 4.32Å; F423-F505 HydrophobicContact CZ-CG 4.07Å; F423-F505 AromaticContact CZ-CZ 3.68Å; F423-F505 HydrophobicContact CZ-CZ 3.68Å; F423-I509 HydrophobicContact CB-CD1 4.12Å; F423-I509 HydrophobicContact CD2-CD1 4.16Å; F423-I509 HydrophobicContact CG-CD1 4.1Å; F423-I523 HydrophobicContact CD2-CD1 4.2Å; F423-I523 HydrophobicContact CE2-CD1 3.88Å; F423-I523 HydrophobicContact CE2-CG1 3.95Å
424	L	97.8	Very high	98.1	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.026	16%	0.164	C	C	.	.	H	α-helix	trans	-60.6	-55.8	179.9	-66.4	172.4	0	0	0	110.7	G421 T422 D426 S427 L428 W462 I523 F529	G421-L424 WeakPolarHBondContact O-CB 3.47Å; G421-L424 WeakPolarHBondContact O-CG 3.13Å; G421-L424 PolarHBondContact O-N 2.91Å; G421-L424 VanDerWaalsContact O-N 3.17Å; T422-L424 PolarHBondContact O-N 2.98Å; T422-L424 VanDerWaalsContact O-N 3.13Å; L424-D426 PolarHBondContact O-N 3.35Å; L424-S427 PolarHBondContact O-N 3.2Å; L424-L428 VanDerWaalsContact O-CB 3.28Å; L424-L428 WeakPolarHBondContact O-CB 3.25Å; L424-L428 WeakPolarHBondContact O-CG 3.37Å; L424-L428 PolarHBondContact O-N 2.98Å; L424-W462 HydrophobicContact CD1-CB 4.45Å; L424-I523 HydrophobicContact CD2-CD1 3.73Å; L424-I523 HydrophobicContact CD2-CG1 3.94Å; L424-I523 HydrophobicContact CD2-CG2 4.02Å; L424-F529 HydrophobicContact CD1-CD2 3.62Å; L424-F529 HydrophobicContact CD1-CE2 3.99Å; L424-F529 WeakPolarHBondContact CD2-O 3.21Å
425	W	98.6	Very high	97.9	Very high	26 Å²	26	32.5 Å²	32.5	10%	0.098	16%	0.164	C	C	.	.	H	α-helix	trans	-60.5	-48.4	176.4	178.5	-85.2	0	0	0	110.6	T422 S427 L428 H429 A445 F448 S464 S465 R470	T422-W425 PolarHBondContact O-N 2.84Å; W425-S427 VanDerWaalsContact C-N 3.25Å; W425-S427 PolarHBondContact O-N 3.06Å; W425-L428 PolarHBondContact O-N 2.74Å; W425-H429 HydrophobicContact CD2-CB 3.79Å; W425-H429 VanDerWaalsContact CE2-CB 3.46Å; W425-H429 AromaticContact CE2-CG 3.85Å; W425-H429 HydrophobicContact CE3-CB 4.22Å; W425-H429 HydrophobicContact CG-CB 4.26Å; W425-H429 HydrophobicContact CH2-CB 4.04Å; W425-H429 HydrophobicContact CZ2-CB 3.6Å; W425-H429 HydrophobicContact CZ3-CB 4.34Å; W425-H429 AromaticContact NE1-CG 3.63Å; W425-H429 AromaticContact NE1-ND1 3.86Å; W425-H429 WeakPolarHBondContact O-CB 3.15Å; W425-H429 PolarHBondContact O-N 2.89Å; W425-H429 PolarHBondContact O-ND1 3.34Å; W425-A445 HydrophobicContact CH2-CB 3.7Å; W425-A445 HydrophobicContact CZ2-CB 4.39Å; W425-A445 HydrophobicContact CZ3-CB 4.3Å; W425-F448 AromaticContact CE3-CD2 3.86Å; W425-F448 HydrophobicContact CE3-CD2 3.86Å; W425-F448 HydrophobicContact CE3-CE2 4.36Å; W425-F448 AromaticContact CZ3-CD2 3.91Å; W425-F448 HydrophobicContact CZ3-CD2 3.91Å; W425-S464 VanDerWaalsContact CE3-C 3.4Å; W425-S464 VanDerWaalsContact CE3-O 3.3Å; W425-S464 VanDerWaalsContact CZ3-C 3.49Å; W425-S465 VanDerWaalsContact CH2-CA 3.43Å; W425-S465 VanDerWaalsContact CH2-CB 3.47Å; W425-S465 VanDerWaalsContact CZ2-CA 3.49Å; W425-R470 VanDerWaalsContact CD1-CZ 3.42Å
426	D	97.6	Very high	97.9	Very high	94 Å²	94	32.5 Å²	32.5	50%	0.503	16%	0.164	S	C	.	.	H	α-helix	trans	-62.2	-34.3	-174.5	-65.5	-12.7	0	0	0	112	T422 F423 L424 R470	T422-D426 PolarHBondContact O-N 3.3Å; F423-D426 PolarHBondContact O-N 2.95Å; L424-D426 PolarHBondContact O-N 3.35Å; D426-R470 IonicContact OD1-NH2 3.62Å
427	S	98.1	Very high	97.9	Very high	25 Å²	25	36.4 Å²	36.4	18%	0.175	18%	0.182	C	C	.	.	H	α-helix	trans	-82.4	-32	179.3	-54.6	0	0	0	0	113.7	F423 L424 W425	F423-S427 WeakPolarHBondContact O-CB 3.41Å; F423-S427 PolarHBondContact O-N 3.27Å; F423-S427 PolarHBondContact O-OG 3.16Å; L424-S427 PolarHBondContact O-N 3.2Å; W425-S427 VanDerWaalsContact C-N 3.25Å; W425-S427 PolarHBondContact O-N 3.06Å
428	L	98.6	Very high	97.8	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-110.4	-27.2	-166.3	-64.9	-179.2	0	0	0	115.7	L424 W425 N430 Q431 Y444 F448 W520 I523 G528	L424-L428 VanDerWaalsContact O-CB 3.28Å; L424-L428 WeakPolarHBondContact O-CB 3.25Å; L424-L428 WeakPolarHBondContact O-CG 3.37Å; L424-L428 PolarHBondContact O-N 2.98Å; W425-L428 PolarHBondContact O-N 2.74Å; L428-N430 PolarHBondContact O-N 3.03Å; L428-Q431 WeakPolarHBondContact O-CB 3.35Å; L428-Q431 PolarHBondContact O-N 2.74Å; L428-Y444 HydrophobicContact CB-CD1 4.47Å; L428-Y444 HydrophobicContact CB-CD2 3.84Å; L428-Y444 HydrophobicContact CB-CE2 4.44Å; L428-Y444 HydrophobicContact CB-CG 3.84Å; L428-Y444 HydrophobicContact CD1-CD1 4.22Å; L428-Y444 HydrophobicContact CD1-CE1 4.29Å; L428-Y444 HydrophobicContact CD1-CG 4.39Å; L428-Y444 HydrophobicContact CD2-CD2 4.2Å; L428-Y444 HydrophobicContact CD2-CE2 3.96Å; L428-Y444 HydrophobicContact CG-CD2 4.45Å; L428-Y444 WeakPolarHBondContact O-CB 3.46Å; L428-Y444 WeakPolarHBondContact O-CD2 3.28Å; L428-F448 HydrophobicContact CD1-CZ 4.27Å; L428-W520 HydrophobicContact CD2-CB 3.77Å; L428-I523 HydrophobicContact CD1-CB 4.21Å; L428-I523 HydrophobicContact CD1-CD1 3.67Å; L428-I523 HydrophobicContact CD1-CG2 3.77Å; L428-I523 HydrophobicContact CD2-CD1 4.09Å; L428-I523 HydrophobicContact CG-CD1 3.69Å; L428-G528 WeakPolarHBondContact CD1-O 3.4Å
429	H	98.4	Very high	97.8	Very high	47 Å²	47	42.6 Å²	42.6	22%	0.218	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-31.8	-164.2	69.2	-78	0	0	0	115.2	W425 T443 A445	W425-H429 HydrophobicContact CD2-CB 3.79Å; W425-H429 VanDerWaalsContact CE2-CB 3.46Å; W425-H429 AromaticContact CE2-CG 3.85Å; W425-H429 HydrophobicContact CE3-CB 4.22Å; W425-H429 HydrophobicContact CG-CB 4.26Å; W425-H429 HydrophobicContact CH2-CB 4.04Å; W425-H429 HydrophobicContact CZ2-CB 3.6Å; W425-H429 HydrophobicContact CZ3-CB 4.34Å; W425-H429 AromaticContact NE1-CG 3.63Å; W425-H429 AromaticContact NE1-ND1 3.86Å; W425-H429 WeakPolarHBondContact O-CB 3.15Å; W425-H429 PolarHBondContact O-N 2.89Å; W425-H429 PolarHBondContact O-ND1 3.34Å; H429-T443 WeakPolarHBondContact O-CB 3.46Å; H429-A445 HydrophobicContact CB-CB 4.26Å; H429-A445 VanDerWaalsContact O-CB 3.31Å; H429-A445 WeakPolarHBondContact O-CB 3.37Å; H429-A445 PolarHBondContact O-N 3.21Å
430	N	98.3	Very high	97.8	Very high	116 Å²	116	48.7 Å²	48.7	62%	0.62	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-8.5	176.7	-68.2	-28.7	0	0	0	114.5	L428	L428-N430 PolarHBondContact O-N 3.03Å
431	Q	98.4	Very high	97.7	Very high	80 Å²	80	46.4 Å²	46.4	37%	0.374	23%	0.228	S	C	.	.	S	Bend	trans	-75.6	150.2	175.9	-60.3	-62.3	-22.4	0	0	110.2	L428 T443 Y444	L428-Q431 WeakPolarHBondContact O-CB 3.35Å; L428-Q431 PolarHBondContact O-N 2.74Å; Q431-T443 CarbonylContact O-C 3.57Å; Q431-T443 WeakPolarHBondContact O-CA 3.26Å; Q431-T443 WeakPolarHBondContact O-CB 3.39Å; Q431-Y444 HydrophobicContact CB-CD2 3.9Å; Q431-Y444 HydrophobicContact CB-CE2 4.01Å; Q431-Y444 WeakPolarHBondContact O-CD2 3.48Å; Q431-Y444 PolarHBondContact O-N 2.73Å
432	Y	98.6	Very high	97.8	Very high	90 Å²	90	46.4 Å²	46.4	35%	0.353	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-79	126.5	174.1	-65.7	-66.9	0	0	0	110.7	K440 V442 T443	Y432-K440 HydrophobicContact CD1-CB 4.49Å; Y432-K440 HydrophobicContact CD2-CG 4.37Å; Y432-K440 VanDerWaalsContact CE1-CA 3.48Å; Y432-K440 HydrophobicContact CE1-CB 3.87Å; Y432-K440 WeakPolarHBondContact CE1-O 3.42Å; Y432-K440 HydrophobicContact CE2-CB 3.96Å; Y432-K440 HydrophobicContact CE2-CD 4.36Å; Y432-K440 HydrophobicContact CE2-CG 3.92Å; Y432-K440 PolarHBondContact OH-O 3.44Å; Y432-V442 WeakPolarHBondContact CA-O 3.31Å; Y432-T443 HydrophobicContact CD1-CG2 4.09Å; Y432-T443 HydrophobicContact CE1-CG2 4Å
433	H	98.6	Very high	97.8	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.009	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-63	152.3	168.8	177.2	-89.1	0	0	0	109.3	L435 G436 Q437 V442 Y444 F447 V526	H433-L435 VanDerWaalsContact C-N 3.25Å; H433-L435 PolarHBondContact ND1-N 2.79Å; H433-L435 VanDerWaalsContact ND1-N 3.16Å; H433-L435 PolarHBondContact O-N 3.43Å; H433-L435 VanDerWaalsContact O-N 3.1Å; H433-G436 CarbonylContact O-C 3.6Å; H433-G436 WeakPolarHBondContact O-CA 3.4Å; H433-G436 PolarHBondContact O-N 2.83Å; H433-Q437 PolarHBondContact O-N 3.11Å; H433-V442 HydrophobicContact CB-CG1 4.22Å; H433-V442 PolarHBondContact N-O 2.54Å; H433-Y444 HydrophobicContact CB-CE1 4.45Å; H433-Y444 AromaticContact CD2-CE1 3.78Å; H433-F447 AromaticContact CD2-CD1 3.86Å; H433-F447 AromaticContact CD2-CG 3.91Å; H433-F447 AromaticContact NE2-CE2 3.99Å; H433-F447 AromaticContact NE2-CZ 3.91Å; H433-V526 PolarHBondContact NE2-O 3.4Å
434	P	98.3	Very high	97.9	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.013	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-46	-43.5	179	-34.3	37.4	0	0	0	115.2	P272 G436 Q437 P525 V526	P272-P434 HydrophobicContact CB-CB 4.44Å; P272-P434 HydrophobicContact CB-CG 4.2Å; P434-G436 PolarHBondContact O-N 2.85Å; P434-Q437 PolarHBondContact O-N 3.18Å; P434-P525 WeakPolarHBondContact CD-O 3.47Å; P434-P525 HydrophobicContact CG-CB 4.12Å; P434-V526 HydrophobicContact CG-CG2 4.32Å
435	L	96.2	Very high	98	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-65	-19.7	175	-67.9	170	0	0	0	114.5	V46 V50 Q53 L125 L275 H433	V46-L435 HydrophobicContact CG1-CD1 4.5Å; V46-L435 HydrophobicContact CG2-CD1 3.98Å; V50-L435 HydrophobicContact CG2-CD2 4.07Å; Q53-L435 PolarHBondContact NE2-O 3.23Å; L125-L435 HydrophobicContact CD2-CD1 4.42Å; L275-L435 HydrophobicContact CB-CD2 4.04Å; L275-L435 HydrophobicContact CB-CG 4.44Å; L275-L435 HydrophobicContact CD1-CG 4.42Å; H433-L435 VanDerWaalsContact C-N 3.25Å; H433-L435 PolarHBondContact ND1-N 2.79Å; H433-L435 VanDerWaalsContact ND1-N 3.16Å; H433-L435 PolarHBondContact O-N 3.43Å; H433-L435 VanDerWaalsContact O-N 3.1Å
436	G	97.6	Very high	97.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-101.7	-0.5	179.4	0	0	0	0	0	114.6	H433 P434 K440 D441	H433-G436 CarbonylContact O-C 3.6Å; H433-G436 WeakPolarHBondContact O-CA 3.4Å; H433-G436 PolarHBondContact O-N 2.83Å; P434-G436 PolarHBondContact O-N 2.85Å; G436-K440 WeakPolarHBondContact O-CA 3.45Å; G436-K440 PolarHBondContact O-N 3.17Å; G436-D441 VanDerWaalsContact CA-OD1 3.26Å; G436-D441 WeakPolarHBondContact CA-OD1 3.35Å; G436-D441 PolarHBondContact O-N 3.34Å
437	Q	98.2	Very high	97.9	Very high	97 Å²	97	44.6 Å²	44.6	45%	0.453	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-36.4	-173.3	-75.3	173.4	-1.6	0	0	112.9	H433 P434	H433-Q437 PolarHBondContact O-N 3.11Å; P434-Q437 PolarHBondContact O-N 3.18Å
438	L	97.7	Very high	97.9	Very high	63 Å²	63	43.4 Å²	43.4	33%	0.33	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-51.2	-177.7	-176.3	65	0	0	0	111.1	Q53 E56 V57	Q53-L438 HydrophobicContact CB-CD2 3.76Å; Q53-L438 HydrophobicContact CG-CD2 3.81Å; E56-L438 HydrophobicContact CB-CD2 4.37Å; E56-L438 WeakPolarHBondContact OE2-CD2 3.21Å; V57-L438 HydrophobicContact CG2-CD1 4.07Å; V57-L438 HydrophobicContact CG2-CD2 3.86Å
439	N	97.2	Very high	97.8	Very high	75 Å²	75	47.1 Å²	47.1	40%	0.401	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-0.3	-171.8	-67.3	-30.3	0	0	0	114	E56 D441	E56-N439 PolarHBondContact OE1-ND2 3.22Å; E56-N439 PolarHBondContact OE2-ND2 3.46Å; E56-N439 PolarHBondContact OE2-OD1 3.21Å; N439-D441 VanDerWaalsContact C-N 3.31Å; N439-D441 HydrophobicContact CB-CB 4.46Å; N439-D441 PolarHBondContact O-N 3.38Å
440	K	97.7	Very high	97.6	Very high	144 Å²	144	45 Å²	45	63%	0.626	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	41.8	178.8	-63.5	-179.3	179.9	177.6	0	112.9	Y432 G436	Y432-K440 HydrophobicContact CD1-CB 4.49Å; Y432-K440 HydrophobicContact CD2-CG 4.37Å; Y432-K440 VanDerWaalsContact CE1-CA 3.48Å; Y432-K440 HydrophobicContact CE1-CB 3.87Å; Y432-K440 WeakPolarHBondContact CE1-O 3.42Å; Y432-K440 HydrophobicContact CE2-CB 3.96Å; Y432-K440 HydrophobicContact CE2-CD 4.36Å; Y432-K440 HydrophobicContact CE2-CG 3.92Å; Y432-K440 PolarHBondContact OH-O 3.44Å; G436-K440 WeakPolarHBondContact O-CA 3.45Å; G436-K440 PolarHBondContact O-N 3.17Å
441	D	96.2	Very high	97.4	Very high	40 Å²	40	40 Å²	40	21%	0.214	20%	0.202	C	C	.	.			trans	-119.7	-20.1	-168.1	57.3	-5.4	0	0	0	114.5	Y126 G436 N439 H446	Y126-D441 WeakPolarHBondContact CE1-OD2 3.37Å; G436-D441 VanDerWaalsContact CA-OD1 3.26Å; G436-D441 WeakPolarHBondContact CA-OD1 3.35Å; G436-D441 PolarHBondContact O-N 3.34Å; N439-D441 VanDerWaalsContact C-N 3.31Å; N439-D441 HydrophobicContact CB-CB 4.46Å; N439-D441 PolarHBondContact O-N 3.38Å; D441-H446 PolarHBondContact O-ND1 2.76Å
442	V	97.8	Very high	97.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.			trans	-120.1	107.7	177.1	-175.6	0	0	0	0	111.2	L125 Y126 Y432 H433 H446 F447	L125-V442 HydrophobicContact CD1-CG1 3.62Å; L125-V442 HydrophobicContact CG-CG1 4.01Å; L125-V442 HydrophobicContact CG-CG2 4.18Å; Y126-V442 HydrophobicContact CD1-CG2 3.71Å; Y126-V442 HydrophobicContact CE1-CG2 3.48Å; Y126-V442 VanDerWaalsContact CE1-CG2 3.48Å; Y126-V442 HydrophobicContact CG-CG2 4.43Å; Y432-V442 WeakPolarHBondContact CA-O 3.31Å; H433-V442 HydrophobicContact CB-CG1 4.22Å; H433-V442 PolarHBondContact N-O 2.54Å; V442-H446 HydrophobicContact CG1-CB 4.24Å; V442-F447 HydrophobicContact CG1-CB 4.49Å
443	T	98.5	Very high	96.8	Very high	21 Å²	21	35.4 Å²	35.4	13%	0.129	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-86.3	166	168.4	64.9	0	0	0	0	111	H429 Q431 Y432 A445 H446 F447	H429-T443 WeakPolarHBondContact O-CB 3.46Å; Q431-T443 CarbonylContact O-C 3.57Å; Q431-T443 WeakPolarHBondContact O-CA 3.26Å; Q431-T443 WeakPolarHBondContact O-CB 3.39Å; Y432-T443 HydrophobicContact CD1-CG2 4.09Å; Y432-T443 HydrophobicContact CE1-CG2 4Å; T443-A445 PolarHBondContact O-N 2.85Å; T443-A445 PolarHBondContact OG1-N 3.04Å; T443-H446 PolarHBondContact N-ND1 3.2Å; T443-H446 WeakPolarHBondContact O-CB 3.37Å; T443-H446 PolarHBondContact O-N 2.83Å; T443-H446 VanDerWaalsContact O-N 3.13Å; T443-H446 PolarHBondContact OG1-N 3.1Å; T443-F447 PolarHBondContact O-N 2.83Å
444	Y	98.6	Very high	96.2	Very high	12 Å²	12	36.3 Å²	36.3	5%	0.047	20%	0.196	C	C	.	.	H	α-helix	trans	-61.6	-29.6	170.6	-73.2	-87	0	0	0	112.6	L428 Q431 H433 H446 F447 F448 P525	L428-Y444 HydrophobicContact CB-CD1 4.47Å; L428-Y444 HydrophobicContact CB-CD2 3.84Å; L428-Y444 HydrophobicContact CB-CE2 4.44Å; L428-Y444 HydrophobicContact CB-CG 3.84Å; L428-Y444 HydrophobicContact CD1-CD1 4.22Å; L428-Y444 HydrophobicContact CD1-CE1 4.29Å; L428-Y444 HydrophobicContact CD1-CG 4.39Å; L428-Y444 HydrophobicContact CD2-CD2 4.2Å; L428-Y444 HydrophobicContact CD2-CE2 3.96Å; L428-Y444 HydrophobicContact CG-CD2 4.45Å; L428-Y444 WeakPolarHBondContact O-CB 3.46Å; L428-Y444 WeakPolarHBondContact O-CD2 3.28Å; Q431-Y444 HydrophobicContact CB-CD2 3.9Å; Q431-Y444 HydrophobicContact CB-CE2 4.01Å; Q431-Y444 WeakPolarHBondContact O-CD2 3.48Å; Q431-Y444 PolarHBondContact O-N 2.73Å; H433-Y444 HydrophobicContact CB-CE1 4.45Å; H433-Y444 AromaticContact CD2-CE1 3.78Å; Y444-H446 VanDerWaalsContact C-N 3.33Å; Y444-H446 PolarHBondContact O-N 3.36Å; Y444-F447 PolarHBondContact O-N 3.49Å; Y444-F448 AromaticContact CD1-CE1 3.81Å; Y444-F448 HydrophobicContact CD1-CE1 3.81Å; Y444-F448 AromaticContact CD1-CZ 3.87Å; Y444-F448 HydrophobicContact CD1-CZ 3.87Å; Y444-F448 HydrophobicContact CG-CE1 4.46Å; Y444-F448 HydrophobicContact CG-CZ 4.23Å; Y444-F448 WeakPolarHBondContact O-CB 3.46Å; Y444-F448 WeakPolarHBondContact O-CD1 3.44Å; Y444-F448 WeakPolarHBondContact O-CD2 3.48Å; Y444-F448 WeakPolarHBondContact O-CG 3.44Å; Y444-F448 PolarHBondContact O-N 2.8Å; Y444-P525 WeakPolarHBondContact CE1-O 3.37Å; Y444-P525 WeakPolarHBondContact OH-CA 3.5Å; Y444-P525 PolarHBondContact OH-O 2.78Å
445	A	98.4	Very high	95.8	Very high	26 Å²	26	38.8 Å²	38.8	22%	0.215	21%	0.207	C	C	.	.	H	α-helix	trans	-60.7	-42.1	172.8	0	0	0	0	0	112.1	W425 H429 T443 S449	W425-A445 HydrophobicContact CH2-CB 3.7Å; W425-A445 HydrophobicContact CZ2-CB 4.39Å; W425-A445 HydrophobicContact CZ3-CB 4.3Å; H429-A445 HydrophobicContact CB-CB 4.26Å; H429-A445 VanDerWaalsContact O-CB 3.31Å; H429-A445 WeakPolarHBondContact O-CB 3.37Å; H429-A445 PolarHBondContact O-N 3.21Å; T443-A445 PolarHBondContact O-N 2.85Å; T443-A445 PolarHBondContact OG1-N 3.04Å; A445-S449 WeakPolarHBondContact O-CB 3.37Å; A445-S449 PolarHBondContact O-N 2.92Å; A445-S449 VanDerWaalsContact O-N 3.11Å
446	H	97.7	Very high	95.4	Very high	76 Å²	76	39.4 Å²	39.4	35%	0.352	21%	0.211	S	C	.	.	H	α-helix	trans	-63.5	-48.9	173.7	-60.8	158.1	0	0	0	110.9	D441 V442 T443 Y444 F448 S449 F450	D441-H446 PolarHBondContact O-ND1 2.76Å; V442-H446 HydrophobicContact CG1-CB 4.24Å; T443-H446 PolarHBondContact N-ND1 3.2Å; T443-H446 WeakPolarHBondContact O-CB 3.37Å; T443-H446 PolarHBondContact O-N 2.83Å; T443-H446 VanDerWaalsContact O-N 3.13Å; T443-H446 PolarHBondContact OG1-N 3.1Å; Y444-H446 VanDerWaalsContact C-N 3.33Å; Y444-H446 PolarHBondContact O-N 3.36Å; H446-F448 PolarHBondContact O-N 3.36Å; H446-S449 PolarHBondContact O-N 3.49Å; H446-F450 WeakPolarHBondContact O-CB 3.32Å; H446-F450 PolarHBondContact O-N 2.84Å
447	F	97.8	Very high	95.3	Very high	16 Å²	16	39.6 Å²	39.6	7%	0.07	21%	0.212	C	C	.	.	H	α-helix	trans	-58.8	-47.3	179.8	-178.5	-115	0	0	0	112.6	L125 H433 V442 T443 Y444 S449 F450 L451	L125-F447 HydrophobicContact CD1-CB 4.21Å; L125-F447 HydrophobicContact CD1-CD2 4Å; H433-F447 AromaticContact CD2-CD1 3.86Å; H433-F447 AromaticContact CD2-CG 3.91Å; H433-F447 AromaticContact NE2-CE2 3.99Å; H433-F447 AromaticContact NE2-CZ 3.91Å; V442-F447 HydrophobicContact CG1-CB 4.49Å; T443-F447 PolarHBondContact O-N 2.83Å; Y444-F447 PolarHBondContact O-N 3.49Å; F447-S449 PolarHBondContact O-N 2.89Å; F447-F450 WeakPolarHBondContact O-CB 3.37Å; F447-F450 PolarHBondContact O-N 3.01Å; F447-L451 HydrophobicContact CD1-CD1 4.11Å; F447-L451 HydrophobicContact CD2-CG 4.47Å; F447-L451 HydrophobicContact CE1-CD1 3.55Å; F447-L451 HydrophobicContact CE1-CG 4.31Å; F447-L451 HydrophobicContact CE2-CD1 4.19Å; F447-L451 HydrophobicContact CE2-CD2 4.12Å; F447-L451 HydrophobicContact CE2-CG 4.16Å; F447-L451 HydrophobicContact CZ-CD1 3.6Å; F447-L451 HydrophobicContact CZ-CD2 4.21Å; F447-L451 HydrophobicContact CZ-CG 4.09Å; F447-L451 WeakPolarHBondContact O-CG 3.42Å; F447-L451 PolarHBondContact O-N 2.93Å
448	F	97.6	Very high	95.1	Very high	1 Å²	1	36 Å²	36	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-63.6	-41.5	178.3	-62.2	-14.6	0	0	0	111.9	W425 L428 Y444 H446 F450 L451 S452 M463 G528	W425-F448 AromaticContact CE3-CD2 3.86Å; W425-F448 HydrophobicContact CE3-CD2 3.86Å; W425-F448 HydrophobicContact CE3-CE2 4.36Å; W425-F448 AromaticContact CZ3-CD2 3.91Å; W425-F448 HydrophobicContact CZ3-CD2 3.91Å; L428-F448 HydrophobicContact CD1-CZ 4.27Å; Y444-F448 AromaticContact CD1-CE1 3.81Å; Y444-F448 HydrophobicContact CD1-CE1 3.81Å; Y444-F448 AromaticContact CD1-CZ 3.87Å; Y444-F448 HydrophobicContact CD1-CZ 3.87Å; Y444-F448 HydrophobicContact CG-CE1 4.46Å; Y444-F448 HydrophobicContact CG-CZ 4.23Å; Y444-F448 WeakPolarHBondContact O-CB 3.46Å; Y444-F448 WeakPolarHBondContact O-CD1 3.44Å; Y444-F448 WeakPolarHBondContact O-CD2 3.48Å; Y444-F448 WeakPolarHBondContact O-CG 3.44Å; Y444-F448 PolarHBondContact O-N 2.8Å; H446-F448 PolarHBondContact O-N 3.36Å; F448-F450 VanDerWaalsContact C-N 3.31Å; F448-F450 PolarHBondContact O-N 2.89Å; F448-L451 PolarHBondContact O-N 3.07Å; F448-S452 VanDerWaalsContact O-CB 3.29Å; F448-S452 WeakPolarHBondContact O-CB 3.49Å; F448-S452 PolarHBondContact O-N 3.5Å; F448-M463 HydrophobicContact CB-CB 4.27Å; F448-M463 HydrophobicContact CD1-CB 4.2Å; F448-M463 HydrophobicContact CD1-CE 3.35Å; F448-M463 HydrophobicContact CD1-CG 4.49Å; F448-M463 HydrophobicContact CD2-CB 3.88Å; F448-M463 HydrophobicContact CD2-CG 4.47Å; F448-M463 HydrophobicContact CE1-CE 3.23Å; F448-M463 HydrophobicContact CE1-CG 4.37Å; F448-M463 HydrophobicContact CE2-CB 4.22Å; F448-M463 HydrophobicContact CE2-CG 4.33Å; F448-M463 HydrophobicContact CG-CB 3.86Å; F448-M463 HydrophobicContact CG-CE 4.2Å; F448-M463 HydrophobicContact CZ-CE 3.99Å; F448-M463 HydrophobicContact CZ-CG 4.27Å; F448-G528 WeakPolarHBondContact CZ-O 3.36Å
449	S	95.9	Very high	95.1	Very high	80 Å²	80	33 Å²	33	56%	0.559	18%	0.181	S	C	*	.	H	α-helix	trans	-63.1	-38.9	175.4	-168.9	0	0	0	0	111.9	A445 H446 F447 C453	A445-S449 WeakPolarHBondContact O-CB 3.37Å; A445-S449 PolarHBondContact O-N 2.92Å; A445-S449 VanDerWaalsContact O-N 3.11Å; H446-S449 PolarHBondContact O-N 3.49Å; F447-S449 PolarHBondContact O-N 2.89Å; S449-C453 VanDerWaalsContact O-CB 3.27Å; S449-C453 WeakPolarHBondContact O-CB 3.46Å; S449-C453 PolarHBondContact O-N 2.88Å
450	F	94.7	Very high	95.1	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.009	16%	0.163	C	C	.	.	H	α-helix	trans	-63.7	-50.2	177.3	174.3	-116.8	0	0	0	111.5	V42 V45 C123 H124 L125 H446 F447 F448 S452 C453 L454	V42-F450 HydrophobicContact CG2-CE1 3.9Å; V42-F450 HydrophobicContact CG2-CZ 4.46Å; V45-F450 HydrophobicContact CB-CZ 4.24Å; V45-F450 HydrophobicContact CG1-CZ 4.44Å; V45-F450 HydrophobicContact CG2-CZ 3.95Å; C123-F450 HydrophobicContact CB-CD2 4.2Å; C123-F450 HydrophobicContact CB-CE2 4.35Å; H124-F450 VanDerWaalsContact C-CD2 3.43Å; L125-F450 HydrophobicContact CB-CB 4.33Å; L125-F450 HydrophobicContact CB-CD1 4.05Å; L125-F450 HydrophobicContact CB-CD2 4.05Å; L125-F450 HydrophobicContact CB-CE1 4.31Å; L125-F450 HydrophobicContact CB-CE2 4.31Å; L125-F450 HydrophobicContact CB-CG 3.89Å; L125-F450 HydrophobicContact CB-CZ 4.42Å; L125-F450 HydrophobicContact CD1-CB 3.97Å; L125-F450 HydrophobicContact CD1-CD1 3.99Å; L125-F450 HydrophobicContact CD1-CG 4.12Å; L125-F450 HydrophobicContact CG-CD1 4.45Å; H446-F450 WeakPolarHBondContact O-CB 3.32Å; H446-F450 PolarHBondContact O-N 2.84Å; F447-F450 WeakPolarHBondContact O-CB 3.37Å; F447-F450 PolarHBondContact O-N 3.01Å; F448-F450 VanDerWaalsContact C-N 3.31Å; F448-F450 PolarHBondContact O-N 2.89Å; F450-S452 VanDerWaalsContact C-N 3.34Å; F450-S452 PolarHBondContact O-N 2.78Å; F450-C453 PolarHBondContact O-N 2.89Å; F450-L454 HydrophobicContact CD1-CD1 4.24Å; F450-L454 HydrophobicContact CD2-CD1 4.07Å; F450-L454 HydrophobicContact CD2-CG 4.46Å; F450-L454 HydrophobicContact CE1-CD1 3.74Å; F450-L454 HydrophobicContact CE2-CD1 3.55Å; F450-L454 HydrophobicContact CE2-CG 4.21Å; F450-L454 HydrophobicContact CG-CD1 4.41Å; F450-L454 HydrophobicContact CZ-CD1 3.37Å; F450-L454 HydrophobicContact CZ-CG 4.48Å; F450-L454 WeakPolarHBondContact O-CG 3.36Å; F450-L454 PolarHBondContact O-N 3.28Å
451	L	93.1	Very high	95.2	Very high	13 Å²	13	22.7 Å²	22.7	7%	0.068	13%	0.133	C	C	.	.	H	α-helix	trans	-62.8	-40.3	177.6	-63.2	-176	0	0	0	112.5	V42 F447 F448 L454 Q455 V456 S457	V42-L451 HydrophobicContact CG2-CD2 3.83Å; F447-L451 HydrophobicContact CD1-CD1 4.11Å; F447-L451 HydrophobicContact CD2-CG 4.47Å; F447-L451 HydrophobicContact CE1-CD1 3.55Å; F447-L451 HydrophobicContact CE1-CG 4.31Å; F447-L451 HydrophobicContact CE2-CD1 4.19Å; F447-L451 HydrophobicContact CE2-CD2 4.12Å; F447-L451 HydrophobicContact CE2-CG 4.16Å; F447-L451 HydrophobicContact CZ-CD1 3.6Å; F447-L451 HydrophobicContact CZ-CD2 4.21Å; F447-L451 HydrophobicContact CZ-CG 4.09Å; F447-L451 WeakPolarHBondContact O-CG 3.42Å; F447-L451 PolarHBondContact O-N 2.93Å; F448-L451 PolarHBondContact O-N 3.07Å; L451-L454 CarbonylContact O-C 3.48Å; L451-L454 PolarHBondContact O-N 2.89Å; L451-Q455 PolarHBondContact O-N 2.91Å; L451-Q455 VanDerWaalsContact O-N 3.08Å; L451-V456 HydrophobicContact CB-CG2 4.43Å; L451-V456 HydrophobicContact CD2-CG2 3.97Å; L451-V456 PolarHBondContact O-N 2.66Å; L451-S457 PolarHBondContact O-N 2.69Å
452	S	93.1	Very high	95.3	Very high	42 Å²	42	21 Å²	21	29%	0.294	12%	0.124	S	C	.	.	H	α-helix	trans	-64.5	-44.3	177.5	-166.8	0	0	0	0	111.3	F448 F450 L454 Q455 N460	F448-S452 VanDerWaalsContact O-CB 3.29Å; F448-S452 WeakPolarHBondContact O-CB 3.49Å; F448-S452 PolarHBondContact O-N 3.5Å; F450-S452 VanDerWaalsContact C-N 3.34Å; F450-S452 PolarHBondContact O-N 2.78Å; S452-L454 VanDerWaalsContact C-N 3.25Å; S452-L454 PolarHBondContact O-N 3.36Å; S452-Q455 PolarHBondContact O-N 3.48Å; S452-N460 WeakPolarHBondContact CB-OD1 3.47Å; S452-N460 PolarHBondContact OG-OD1 2.99Å
453	C	91.9	Very high	95.3	Very high	30 Å²	30	21 Å²	21	20%	0.203	12%	0.124	C	C	.	.	H	α-helix	trans	-58.2	-39.7	174.9	-176.5	0	0	0	0	111.5	Q120 C123 S449 F450 Q455	Q120-C453 PolarHBondContact NE2-O 3.21Å; C123-C453 WeakPolarHBondContact CA-SG 3.35Å; C123-C453 HydrophobicContact CB-CB 3.7Å; C123-C453 WeakPolarHBondContact CB-SG 3.27Å; C123-C453 WeakPolarHBondContact SG-CB 3.47Å; C123-C453 PolarHBondContact SG-O 2.89Å; C123-C453 VanDerWaalsContact SG-O 3.37Å; C123-C453 CovalentContact SG-SG 2.04Å; C123-C453 PolarHBondContact SG-SG 3.09Å; S449-C453 VanDerWaalsContact O-CB 3.27Å; S449-C453 WeakPolarHBondContact O-CB 3.46Å; S449-C453 PolarHBondContact O-N 2.88Å; F450-C453 PolarHBondContact O-N 2.89Å; C453-Q455 VanDerWaalsContact C-N 3.28Å; C453-Q455 PolarHBondContact O-N 2.87Å
454	L	86.8	Confident	95.3	Very high	22 Å²	22	21 Å²	21	12%	0.115	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-2.2	177.2	-69.3	177.9	0	0	0	114.4	C41 V42 C123 F450 L451 S452 V456	C41-L454 HydrophobicContact CB-CD1 4.08Å; C41-L454 HydrophobicContact CB-CD2 4.07Å; V42-L454 HydrophobicContact CG2-CD1 3.62Å; C123-L454 HydrophobicContact CB-CD2 3.79Å; C123-L454 HydrophobicContact CB-CG 3.96Å; F450-L454 HydrophobicContact CD1-CD1 4.24Å; F450-L454 HydrophobicContact CD2-CD1 4.07Å; F450-L454 HydrophobicContact CD2-CG 4.46Å; F450-L454 HydrophobicContact CE1-CD1 3.74Å; F450-L454 HydrophobicContact CE2-CD1 3.55Å; F450-L454 HydrophobicContact CE2-CG 4.21Å; F450-L454 HydrophobicContact CG-CD1 4.41Å; F450-L454 HydrophobicContact CZ-CD1 3.37Å; F450-L454 HydrophobicContact CZ-CG 4.48Å; F450-L454 WeakPolarHBondContact O-CG 3.36Å; F450-L454 PolarHBondContact O-N 3.28Å; L451-L454 CarbonylContact O-C 3.48Å; L451-L454 PolarHBondContact O-N 2.89Å; S452-L454 VanDerWaalsContact C-N 3.25Å; S452-L454 PolarHBondContact O-N 3.36Å; L454-V456 HydrophobicContact CB-CG2 3.74Å; L454-V456 PolarHBondContact O-N 3.25Å
455	Q	89.8	Confident	95.3	Very high	53 Å²	53	24.8 Å²	24.8	25%	0.248	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	33	-174.9	-61	-177.7	59.9	0	0	114.1	G378 L451 S452 C453	G378-Q455 WeakPolarHBondContact O-CA 3.34Å; L451-Q455 PolarHBondContact O-N 2.91Å; L451-Q455 VanDerWaalsContact O-N 3.08Å; S452-Q455 PolarHBondContact O-N 3.48Å; C453-Q455 VanDerWaalsContact C-N 3.28Å; C453-Q455 PolarHBondContact O-N 2.87Å
456	V	87.9	Confident	95.3	Very high	15 Å²	15	27.4 Å²	27.4	9%	0.091	16%	0.163	C	C	.	.			trans	-122.2	11.2	177.6	-62.5	0	0	0	0	112.5	V42 L451 L454	V42-V456 HydrophobicContact CG2-CG2 3.91Å; L451-V456 HydrophobicContact CB-CG2 4.43Å; L451-V456 HydrophobicContact CD2-CG2 3.97Å; L451-V456 PolarHBondContact O-N 2.66Å; L454-V456 HydrophobicContact CB-CG2 3.74Å; L454-V456 PolarHBondContact O-N 3.25Å
457	S	95.3	Very high	95.3	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.021	18%	0.177	C	C	.	.			trans	-61.1	132.8	171.1	-179.9	0	0	0	0	110.2	G378 L451 C459 N460	G378-S457 WeakPolarHBondContact CA-O 3.28Å; G378-S457 PolarHBondContact N-O 2.97Å; L451-S457 PolarHBondContact O-N 2.69Å; S457-C459 PolarHBondContact O-N 2.97Å; S457-C459 PolarHBondContact OG-N 3.13Å; S457-N460 WeakPolarHBondContact CB-OD1 3.31Å; S457-N460 PolarHBondContact OG-N 3.09Å; S457-N460 PolarHBondContact OG-OD1 3.39Å
458	P	94	Very high	95.3	Very high	21 Å²	21	34.6 Å²	34.6	14%	0.136	20%	0.202	C	C	.	.	S	Bend	trans	-69.3	-24.8	176.6	27.8	-32.1	0	0	0	111.6	C376 M463 F529	C376-P458 WeakPolarHBondContact CB-O 2.99Å; P458-M463 HydrophobicContact CG-CE 3.89Å; P458-M463 HydrophobicContact CG-SD 3.65Å; P458-F529 HydrophobicContact CB-CD1 4.13Å; P458-F529 HydrophobicContact CB-CE1 4.4Å; P458-F529 HydrophobicContact CG-CB 4.32Å; P458-F529 HydrophobicContact CG-CD1 4.16Å; P458-F529 HydrophobicContact CG-CG 4.22Å
459	C	98.2	Very high	95.4	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.209	C	C	.	.			trans	-151.1	83.4	177.4	-162.4	0	0	0	0	112.9	C376 S457 G461 W462 M463 F529	C376-C459 WeakPolarHBondContact CA-SG 3.08Å; C376-C459 HydrophobicContact CB-CB 3.5Å; C376-C459 WeakPolarHBondContact CB-SG 3.42Å; C376-C459 WeakPolarHBondContact SG-CB 3.5Å; C376-C459 CovalentContact SG-SG 2.04Å; C376-C459 PolarHBondContact SG-SG 3.46Å; S457-C459 PolarHBondContact O-N 2.97Å; S457-C459 PolarHBondContact OG-N 3.13Å; C459-G461 PolarHBondContact O-N 2.85Å; C459-G461 VanDerWaalsContact O-N 3.12Å; C459-W462 PolarHBondContact O-N 3.02Å; C459-W462 VanDerWaalsContact SG-CE3 3.56Å; C459-M463 HydrophobicContact CB-CG 4.48Å; C459-M463 HydrophobicContact CB-SD 4.03Å; C459-M463 WeakPolarHBondContact O-CB 3.23Å; C459-M463 PolarHBondContact O-N 2.85Å; C459-F529 HydrophobicContact CB-CD2 3.98Å; C459-F529 HydrophobicContact CB-CE2 3.43Å; C459-F529 VanDerWaalsContact CB-CE2 3.43Å; C459-F529 HydrophobicContact CB-CZ 3.85Å
460	N	97.1	Very high	95.5	Very high	4 Å²	4	33 Å²	33	2%	0.021	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-28.6	175.6	-86.8	-18.2	0	0	0	113.4	N377 G378 K379 T382 S452 S457 S464 L469	N377-N460 WeakPolarHBondContact O-CB 3.4Å; N377-N460 PolarHBondContact O-N 3.25Å; G378-N460 PolarHBondContact O-ND2 3.22Å; G378-N460 VanDerWaalsContact O-ND2 3.1Å; K379-N460 PolarHBondContact O-ND2 3.23Å; T382-N460 HydrophobicContact CG2-CB 4.31Å; S452-N460 WeakPolarHBondContact CB-OD1 3.47Å; S452-N460 PolarHBondContact OG-OD1 2.99Å; S457-N460 WeakPolarHBondContact CB-OD1 3.31Å; S457-N460 PolarHBondContact OG-N 3.09Å; S457-N460 PolarHBondContact OG-OD1 3.39Å; N460-S464 VanDerWaalsContact O-CB 3.31Å; N460-S464 WeakPolarHBondContact O-CB 3.35Å; N460-L469 WeakPolarHBondContact O-CD2 3.37Å
461	G	98.2	Very high	95.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-55.8	177.9	0	0	0	0	0	113.7	C459 R470 T473	C459-G461 PolarHBondContact O-N 2.85Å; C459-G461 VanDerWaalsContact O-N 3.12Å; G461-R470 WeakPolarHBondContact O-CA 3.46Å; G461-R470 PolarHBondContact O-N 2.93Å; G461-T473 WeakPolarHBondContact CA-OG1 3.32Å; G461-T473 PolarHBondContact O-OG1 3.29Å
462	W	98.7	Very high	96	Very high	3 Å²	3	38.6 Å²	38.6	1%	0.011	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-34.2	-175.9	-72.9	-45.2	0	0	0	114.1	V375 C376 P419 G421 L424 C459 S464 R470 T473 S474 A477 F529	V375-W462 HydrophobicContact CG2-CH2 3.49Å; V375-W462 VanDerWaalsContact CG2-CH2 3.49Å; V375-W462 HydrophobicContact CG2-CZ2 3.99Å; V375-W462 HydrophobicContact CG2-CZ3 3.82Å; C376-W462 VanDerWaalsContact SG-CZ3 3.55Å; P419-W462 HydrophobicContact CG-CH2 3.94Å; P419-W462 HydrophobicContact CG-CZ3 4.19Å; P419-W462 VanDerWaalsContact O-CH2 3.31Å; P419-W462 WeakPolarHBondContact O-CH2 3.49Å; P419-W462 VanDerWaalsContact O-CZ2 3.23Å; P419-W462 WeakPolarHBondContact O-CZ2 3.28Å; G421-W462 VanDerWaalsContact N-CE2 3.33Å; L424-W462 HydrophobicContact CD1-CB 4.45Å; C459-W462 PolarHBondContact O-N 3.02Å; C459-W462 VanDerWaalsContact SG-CE3 3.56Å; W462-S464 PolarHBondContact O-N 3.15Å; W462-R470 WeakPolarHBondContact O-CD 3.46Å; W462-T473 HydrophobicContact CD2-CG2 3.73Å; W462-T473 HydrophobicContact CE3-CG2 4.45Å; W462-T473 HydrophobicContact CG-CG2 3.9Å; W462-T473 HydrophobicContact CZ2-CG2 4.07Å; W462-S474 PolarHBondContact NE1-OG 3.34Å; W462-A477 HydrophobicContact CH2-CB 4.12Å; W462-A477 HydrophobicContact CZ2-CB 3.8Å; W462-F529 HydrophobicContact CE3-CE2 4.36Å
463	M	98.3	Very high	96.2	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	20%	0.203	C	C	.	.	S	Bend	trans	-86.4	55.8	-179.9	-59.9	160.5	76	0	0	110.6	F448 P458 C459 D527 F529	F448-M463 HydrophobicContact CB-CB 4.27Å; F448-M463 HydrophobicContact CD1-CB 4.2Å; F448-M463 HydrophobicContact CD1-CE 3.35Å; F448-M463 HydrophobicContact CD1-CG 4.49Å; F448-M463 HydrophobicContact CD2-CB 3.88Å; F448-M463 HydrophobicContact CD2-CG 4.47Å; F448-M463 HydrophobicContact CE1-CE 3.23Å; F448-M463 HydrophobicContact CE1-CG 4.37Å; F448-M463 HydrophobicContact CE2-CB 4.22Å; F448-M463 HydrophobicContact CE2-CG 4.33Å; F448-M463 HydrophobicContact CG-CB 3.86Å; F448-M463 HydrophobicContact CG-CE 4.2Å; F448-M463 HydrophobicContact CZ-CE 3.99Å; F448-M463 HydrophobicContact CZ-CG 4.27Å; P458-M463 HydrophobicContact CG-CE 3.89Å; P458-M463 HydrophobicContact CG-SD 3.65Å; C459-M463 HydrophobicContact CB-CG 4.48Å; C459-M463 HydrophobicContact CB-SD 4.03Å; C459-M463 WeakPolarHBondContact O-CB 3.23Å; C459-M463 PolarHBondContact O-N 2.85Å; M463-D527 WeakPolarHBondContact CE-O 3.46Å; M463-F529 HydrophobicContact CE-CB 4.07Å; M463-F529 HydrophobicContact CG-CD2 4.23Å; M463-F529 HydrophobicContact SD-CB 3.79Å; M463-F529 HydrophobicContact SD-CD2 3.64Å; M463-F529 HydrophobicContact SD-CG 3.87Å
464	S	98.1	Very high	96.6	Very high	21 Å²	21	35.9 Å²	35.9	15%	0.147	20%	0.199	C	C	.	.	S	Bend	trans	-138.1	142.8	-174.5	179.4	0	0	0	0	111.6	W425 N460 W462 N466 R470	W425-S464 VanDerWaalsContact CE3-C 3.4Å; W425-S464 VanDerWaalsContact CE3-O 3.3Å; W425-S464 VanDerWaalsContact CZ3-C 3.49Å; N460-S464 VanDerWaalsContact O-CB 3.31Å; N460-S464 WeakPolarHBondContact O-CB 3.35Å; W462-S464 PolarHBondContact O-N 3.15Å; S464-N466 PolarHBondContact O-N 3.02Å; S464-N466 PolarHBondContact OG-N 3.46Å; S464-N466 VanDerWaalsContact OG-N 3.15Å; S464-R470 VanDerWaalsContact O-CD 3.28Å; S464-R470 WeakPolarHBondContact O-CD 3.47Å; S464-R470 PolarHBondContact O-NH1 3.06Å
465	S	98	Very high	97.1	Very high	91 Å²	91	39.3 Å²	39.3	64%	0.636	21%	0.214	S	C	*	.	S	Bend	trans	-67.2	-21.7	171.6	58.6	0	0	0	0	112.6	W425 K467 R470	W425-S465 VanDerWaalsContact CH2-CA 3.43Å; W425-S465 VanDerWaalsContact CH2-CB 3.47Å; W425-S465 VanDerWaalsContact CZ2-CA 3.49Å; S465-K467 PolarHBondContact O-N 2.79Å; S465-K467 VanDerWaalsContact O-N 3.08Å; S465-R470 VanDerWaalsContact C-NH1 3.34Å; S465-R470 PolarHBondContact O-NH1 2.89Å; S465-R470 VanDerWaalsContact O-NH1 3.1Å
466	N	98.4	Very high	97.6	Very high	81 Å²	81	38.8 Å²	38.8	43%	0.433	21%	0.21	S	C	.	.			trans	-73.3	100.4	178.7	-175	-18.9	0	0	0	111.1	S464 T468 L469 R470	S464-N466 PolarHBondContact O-N 3.02Å; S464-N466 PolarHBondContact OG-N 3.46Å; S464-N466 VanDerWaalsContact OG-N 3.15Å; N466-T468 VanDerWaalsContact C-N 3.29Å; N466-T468 PolarHBondContact O-N 3.16Å; N466-T468 WeakPolarHBondContact OD1-CB 3.32Å; N466-T468 PolarHBondContact OD1-N 3.08Å; N466-T468 VanDerWaalsContact OD1-N 3.07Å; N466-L469 HydrophobicContact CB-CB 3.93Å; N466-L469 WeakPolarHBondContact O-CB 3.29Å; N466-L469 PolarHBondContact O-N 2.97Å; N466-L469 VanDerWaalsContact O-N 3.1Å; N466-L469 PolarHBondContact OD1-N 2.96Å; N466-R470 PolarHBondContact O-N 3.46Å; N466-R470 VanDerWaalsContact O-N 3.11Å
467	K	98.4	Very high	98.1	Very high	147 Å²	147	38.1 Å²	38.1	64%	0.639	21%	0.206	S	C	*	.	H	α-helix	trans	-58.5	-38.9	-180	-173.3	173.9	-178.3	175.1	0	112.8	S465 L469 R470 T471	S465-K467 PolarHBondContact O-N 2.79Å; S465-K467 VanDerWaalsContact O-N 3.08Å; K467-L469 VanDerWaalsContact C-N 3.29Å; K467-L469 PolarHBondContact O-N 2.85Å; K467-R470 PolarHBondContact O-N 3.26Å; K467-T471 PolarHBondContact O-N 2.78Å; K467-T471 PolarHBondContact O-OG1 3.42Å; K467-T471 VanDerWaalsContact O-OG1 3.09Å
468	T	98.5	Very high	98.3	Very high	96 Å²	96	43.8 Å²	43.8	59%	0.589	23%	0.232	S	C	*	.	H	α-helix	trans	-60.7	-41.4	177.2	-56	0	0	0	0	111.1	N466 T471 L472	N466-T468 VanDerWaalsContact C-N 3.29Å; N466-T468 PolarHBondContact O-N 3.16Å; N466-T468 WeakPolarHBondContact OD1-CB 3.32Å; N466-T468 PolarHBondContact OD1-N 3.08Å; N466-T468 VanDerWaalsContact OD1-N 3.07Å; T468-T471 PolarHBondContact O-N 2.7Å; T468-L472 HydrophobicContact CG2-CD1 4.29Å; T468-L472 WeakPolarHBondContact O-CG 3.06Å; T468-L472 PolarHBondContact O-N 3.33Å
469	L	98.6	Very high	98.5	Very high	31 Å²	31	47.3 Å²	47.3	16%	0.162	25%	0.247	C	C	.	.	H	α-helix	trans	-65.4	-43.2	177.3	-176.7	59.6	0	0	0	112	T382 V383 N460 N466 K467 T471 L472 T473	T382-L469 HydrophobicContact CG2-CD1 3.6Å; T382-L469 HydrophobicContact CG2-CD2 3.97Å; T382-L469 HydrophobicContact CG2-CG 4.21Å; V383-L469 HydrophobicContact CG2-CD1 3.63Å; N460-L469 WeakPolarHBondContact O-CD2 3.37Å; N466-L469 HydrophobicContact CB-CB 3.93Å; N466-L469 WeakPolarHBondContact O-CB 3.29Å; N466-L469 PolarHBondContact O-N 2.97Å; N466-L469 VanDerWaalsContact O-N 3.1Å; N466-L469 PolarHBondContact OD1-N 2.96Å; K467-L469 VanDerWaalsContact C-N 3.29Å; K467-L469 PolarHBondContact O-N 2.85Å; L469-T471 VanDerWaalsContact C-N 3.33Å; L469-T471 PolarHBondContact O-N 2.95Å; L469-L472 PolarHBondContact O-N 2.83Å; L469-T473 PolarHBondContact O-N 2.75Å; L469-T473 PolarHBondContact O-OG1 2.84Å
470	R	98.7	Very high	98.5	Very high	16 Å²	16	47.3 Å²	47.3	6%	0.06	25%	0.247	C	C	.	.	H	α-helix	trans	-59.1	-44.9	174.8	-60.5	-161.4	-59	-79.9	7.9	111.3	T422 W425 D426 G461 W462 S464 S465 N466 K467 T473 S474	T422-R470 HydrophobicContact CG2-CB 4.26Å; W425-R470 VanDerWaalsContact CD1-CZ 3.42Å; D426-R470 IonicContact OD1-NH2 3.62Å; G461-R470 WeakPolarHBondContact O-CA 3.46Å; G461-R470 PolarHBondContact O-N 2.93Å; W462-R470 WeakPolarHBondContact O-CD 3.46Å; S464-R470 VanDerWaalsContact O-CD 3.28Å; S464-R470 WeakPolarHBondContact O-CD 3.47Å; S464-R470 PolarHBondContact O-NH1 3.06Å; S465-R470 VanDerWaalsContact C-NH1 3.34Å; S465-R470 PolarHBondContact O-NH1 2.89Å; S465-R470 VanDerWaalsContact O-NH1 3.1Å; N466-R470 PolarHBondContact O-N 3.46Å; N466-R470 VanDerWaalsContact O-N 3.11Å; K467-R470 PolarHBondContact O-N 3.26Å; R470-T473 WeakPolarHBondContact O-CB 3.35Å; R470-T473 PolarHBondContact O-N 2.77Å; R470-S474 PolarHBondContact O-N 2.74Å; R470-S474 PolarHBondContact O-OG 2.05Å
471	T	98.7	Very high	98.6	Very high	59 Å²	59	47.5 Å²	47.5	36%	0.362	25%	0.249	S	C	.	.	H	α-helix	trans	-60.7	-46.6	176.4	-59.1	0	0	0	0	112.2	K467 T468 L469 T473 S474 Q475	K467-T471 PolarHBondContact O-N 2.78Å; K467-T471 PolarHBondContact O-OG1 3.42Å; K467-T471 VanDerWaalsContact O-OG1 3.09Å; T468-T471 PolarHBondContact O-N 2.7Å; L469-T471 VanDerWaalsContact C-N 3.33Å; L469-T471 PolarHBondContact O-N 2.95Å; T471-T473 VanDerWaalsContact C-N 3.27Å; T471-T473 PolarHBondContact O-N 3.15Å; T471-S474 PolarHBondContact O-N 3.22Å; T471-Q475 HydrophobicContact CG2-CG 4.42Å; T471-Q475 WeakPolarHBondContact O-CB 3.27Å; T471-Q475 VanDerWaalsContact O-CG 3.29Å; T471-Q475 WeakPolarHBondContact O-CG 3.03Å; T471-Q475 PolarHBondContact O-N 3.16Å
472	L	98.8	Very high	98.6	Very high	74 Å²	74	51.5 Å²	51.5	39%	0.387	27%	0.27	S	S	.	.	H	α-helix	trans	-61.2	-37.1	177.4	-72.9	170.1	0	0	0	112	T468 L469 Q475 R476	T468-L472 HydrophobicContact CG2-CD1 4.29Å; T468-L472 WeakPolarHBondContact O-CG 3.06Å; T468-L472 PolarHBondContact O-N 3.33Å; L469-L472 PolarHBondContact O-N 2.83Å; L472-Q475 PolarHBondContact O-N 2.75Å; L472-R476 PolarHBondContact O-N 3.29Å
473	T	98.8	Very high	98.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.8	-48.4	177.3	-51.6	0	0	0	0	110.9	V375 M386 G461 W462 L469 R470 T471 Q475 R476 A477	V375-T473 HydrophobicContact CB-CG2 4.08Å; V375-T473 HydrophobicContact CG2-CG2 4.05Å; M386-T473 HydrophobicContact CE-CG2 3.82Å; M386-T473 WeakPolarHBondContact CE-OG1 3.08Å; G461-T473 WeakPolarHBondContact CA-OG1 3.32Å; G461-T473 PolarHBondContact O-OG1 3.29Å; W462-T473 HydrophobicContact CD2-CG2 3.73Å; W462-T473 HydrophobicContact CE3-CG2 4.45Å; W462-T473 HydrophobicContact CG-CG2 3.9Å; W462-T473 HydrophobicContact CZ2-CG2 4.07Å; L469-T473 PolarHBondContact O-N 2.75Å; L469-T473 PolarHBondContact O-OG1 2.84Å; R470-T473 WeakPolarHBondContact O-CB 3.35Å; R470-T473 PolarHBondContact O-N 2.77Å; T471-T473 VanDerWaalsContact C-N 3.27Å; T471-T473 PolarHBondContact O-N 3.15Å; T473-Q475 PolarHBondContact O-N 3Å; T473-R476 PolarHBondContact O-N 3.35Å; T473-A477 PolarHBondContact O-N 2.85Å
474	S	98.6	Very high	98.7	Very high	15 Å²	15	52.1 Å²	52.1	11%	0.105	27%	0.274	C	S	.	.	H	α-helix	trans	-64.7	-37.8	176.4	-62.1	0	0	0	0	112.6	D420 T422 W462 R470 T471 R476 A477 E478	D420-S474 WeakPolarHBondContact OD1-CB 3.5Å; D420-S474 PolarHBondContact OD1-OG 3.22Å; T422-S474 WeakPolarHBondContact CG2-OG 3.28Å; W462-S474 PolarHBondContact NE1-OG 3.34Å; R470-S474 PolarHBondContact O-N 2.74Å; R470-S474 PolarHBondContact O-OG 2.05Å; T471-S474 PolarHBondContact O-N 3.22Å; S474-R476 VanDerWaalsContact C-N 3.33Å; S474-R476 PolarHBondContact O-N 2.74Å; S474-A477 PolarHBondContact O-N 3.38Å; S474-E478 PolarHBondContact O-N 2.93Å
475	Q	98.8	Very high	98.7	Very high	93 Å²	93	55.5 Å²	55.5	44%	0.435	29%	0.286	S	S	.	.	H	α-helix	trans	-60.2	-42.4	173.4	-76.2	174.7	-5.4	0	0	111.9	T471 L472 T473 E478 Q479	T471-Q475 HydrophobicContact CG2-CG 4.42Å; T471-Q475 WeakPolarHBondContact O-CB 3.27Å; T471-Q475 VanDerWaalsContact O-CG 3.29Å; T471-Q475 WeakPolarHBondContact O-CG 3.03Å; T471-Q475 PolarHBondContact O-N 3.16Å; L472-Q475 PolarHBondContact O-N 2.75Å; T473-Q475 PolarHBondContact O-N 3Å; Q475-E478 PolarHBondContact O-N 3.06Å; Q475-Q479 VanDerWaalsContact O-CG 3.29Å; Q475-Q479 WeakPolarHBondContact O-CG 3Å; Q475-Q479 PolarHBondContact O-N 3.02Å; Q475-Q479 VanDerWaalsContact O-N 3.09Å
476	R	98.9	Very high	98.7	Very high	43 Å²	43	57.3 Å²	57.3	16%	0.162	28%	0.283	C	S	.	.	H	α-helix	trans	-65.2	-44	174.3	-178.4	60.3	66.4	72	13.1	111.2	V375 M386 T387 L472 T473 S474 E478 Q479 L480	V375-R476 HydrophobicContact CG1-CB 4.01Å; V375-R476 HydrophobicContact CG1-CG 3.6Å; M386-R476 HydrophobicContact CB-CG 4.16Å; M386-R476 VanDerWaalsContact CB-NH1 3.32Å; M386-R476 PolarHBondContact O-NH1 3.05Å; M386-R476 HydrophobicContact SD-CB 4Å; M386-R476 HydrophobicContact SD-CG 4.12Å; T387-R476 WeakPolarHBondContact O-CD 3.38Å; T387-R476 PolarHBondContact O-NH1 3.33Å; L472-R476 PolarHBondContact O-N 3.29Å; T473-R476 PolarHBondContact O-N 3.35Å; S474-R476 VanDerWaalsContact C-N 3.33Å; S474-R476 PolarHBondContact O-N 2.74Å; R476-E478 VanDerWaalsContact C-N 3.28Å; R476-E478 PolarHBondContact O-N 2.86Å; R476-Q479 WeakPolarHBondContact O-CB 3.17Å; R476-Q479 PolarHBondContact O-N 3.18Å; R476-Q479 VanDerWaalsContact O-N 3.13Å; R476-L480 HydrophobicContact CG-CD1 4.43Å; R476-L480 HydrophobicContact CG-CG 4.33Å; R476-L480 WeakPolarHBondContact O-CG 3.46Å; R476-L480 PolarHBondContact O-N 3.3Å
477	A	98.8	Very high	98.8	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-58.5	-40.6	178.6	0	0	0	0	0	112.1	V375 L418 W462 T473 S474 L480 S481	V375-A477 HydrophobicContact CG1-CB 4.33Å; V375-A477 HydrophobicContact CG2-CB 4.39Å; L418-A477 HydrophobicContact CB-CB 3.92Å; L418-A477 HydrophobicContact CD2-CB 4.26Å; W462-A477 HydrophobicContact CH2-CB 4.12Å; W462-A477 HydrophobicContact CZ2-CB 3.8Å; T473-A477 PolarHBondContact O-N 2.85Å; S474-A477 PolarHBondContact O-N 3.38Å; A477-L480 PolarHBondContact O-N 3.15Å; A477-S481 WeakPolarHBondContact O-CB 3.25Å; A477-S481 PolarHBondContact O-N 3.49Å; A477-S481 PolarHBondContact O-OG 3.46Å
478	E	98.7	Very high	98.8	Very high	122 Å²	122	47.1 Å²	47.1	57%	0.57	24%	0.237	S	C	*	.	H	α-helix	trans	-63.1	-45	173.7	-172.8	-175	-178.5	0	0	111.9	S474 Q475 R476 L480 S481 N482	S474-E478 PolarHBondContact O-N 2.93Å; Q475-E478 PolarHBondContact O-N 3.06Å; R476-E478 VanDerWaalsContact C-N 3.28Å; R476-E478 PolarHBondContact O-N 2.86Å; E478-L480 VanDerWaalsContact C-N 3.32Å; E478-L480 PolarHBondContact O-N 3.04Å; E478-S481 PolarHBondContact O-N 3.14Å; E478-N482 WeakPolarHBondContact O-CB 3.48Å; E478-N482 PolarHBondContact O-N 2.84Å; E478-N482 PolarHBondContact O-ND2 2.71Å
479	Q	98.9	Very high	98.7	Very high	94 Å²	94	47.8 Å²	47.8	44%	0.439	24%	0.241	S	C	.	.	H	α-helix	trans	-59.1	-41.4	175.7	-69.8	168.6	-4.9	0	0	112.4	P389 Q475 R476 T483	P389-Q479 HydrophobicContact CG-CB 4.12Å; Q475-Q479 VanDerWaalsContact O-CG 3.29Å; Q475-Q479 WeakPolarHBondContact O-CG 3Å; Q475-Q479 PolarHBondContact O-N 3.02Å; Q475-Q479 VanDerWaalsContact O-N 3.09Å; R476-Q479 WeakPolarHBondContact O-CB 3.17Å; R476-Q479 PolarHBondContact O-N 3.18Å; R476-Q479 VanDerWaalsContact O-N 3.13Å; Q479-T483 PolarHBondContact O-N 3.08Å; Q479-T483 PolarHBondContact O-OG1 2.78Å
480	L	98.9	Very high	98.7	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-69.4	-40.2	177.2	-61.4	-169.5	0	0	0	111.6	D374 V375 P389 M392 L418 R476 A477 E478 N482 T483 L484	D374-L480 HydrophobicContact CB-CD1 3.71Å; V375-L480 HydrophobicContact CG1-CD1 3.93Å; P389-L480 HydrophobicContact CG-CD2 4.29Å; M392-L480 HydrophobicContact CB-CD2 3.86Å; M392-L480 HydrophobicContact CG-CD2 4.22Å; M392-L480 HydrophobicContact SD-CD1 4.38Å; L418-L480 HydrophobicContact CD1-CB 4.07Å; L418-L480 HydrophobicContact CD2-CB 4.37Å; L418-L480 HydrophobicContact CD2-CD1 4.11Å; R476-L480 HydrophobicContact CG-CD1 4.43Å; R476-L480 HydrophobicContact CG-CG 4.33Å; R476-L480 WeakPolarHBondContact O-CG 3.46Å; R476-L480 PolarHBondContact O-N 3.3Å; A477-L480 PolarHBondContact O-N 3.15Å; E478-L480 VanDerWaalsContact C-N 3.32Å; E478-L480 PolarHBondContact O-N 3.04Å; L480-N482 VanDerWaalsContact C-N 3.35Å; L480-N482 PolarHBondContact O-N 3.15Å; L480-T483 WeakPolarHBondContact O-CA 3.16Å; L480-T483 VanDerWaalsContact O-CB 3.28Å; L480-T483 WeakPolarHBondContact O-CB 3.18Å; L480-T483 PolarHBondContact O-N 3.35Å; L480-T483 VanDerWaalsContact O-N 3.09Å; L480-L484 PolarHBondContact O-N 3.39Å
481	S	98.9	Very high	98.7	Very high	9 Å²	9	51.9 Å²	51.9	6%	0.063	27%	0.265	C	S	.	.	H	α-helix	trans	-61	-43.5	174.5	-57.8	0	0	0	0	111.6	L418 A477 E478 T483 L484 K485 Y500	L418-S481 PolarHBondContact N-OG 3.36Å; A477-S481 WeakPolarHBondContact O-CB 3.25Å; A477-S481 PolarHBondContact O-N 3.49Å; A477-S481 PolarHBondContact O-OG 3.46Å; E478-S481 PolarHBondContact O-N 3.14Å; S481-T483 VanDerWaalsContact C-N 3.27Å; S481-T483 PolarHBondContact O-N 2.9Å; S481-L484 WeakPolarHBondContact O-CB 3.24Å; S481-L484 PolarHBondContact O-N 2.79Å; S481-K485 WeakPolarHBondContact O-CB 3.49Å; S481-K485 PolarHBondContact O-N 3.22Å; S481-Y500 WeakPolarHBondContact O-CE2 3.08Å
482	N	98.8	Very high	98.7	Very high	83 Å²	83	55.1 Å²	55.1	44%	0.444	29%	0.285	S	S	.	.	H	α-helix	trans	-62.8	-33.5	173.6	-75.1	-34.7	0	0	0	112.6	E478 L480 K485 K486	E478-N482 WeakPolarHBondContact O-CB 3.48Å; E478-N482 PolarHBondContact O-N 2.84Å; E478-N482 PolarHBondContact O-ND2 2.71Å; L480-N482 VanDerWaalsContact C-N 3.35Å; L480-N482 PolarHBondContact O-N 3.15Å; N482-K485 PolarHBondContact O-N 3.3Å; N482-K486 WeakPolarHBondContact O-CB 3.41Å; N482-K486 PolarHBondContact O-N 3.43Å
483	T	98.9	Very high	98.6	Very high	19 Å²	19	53.3 Å²	53.3	12%	0.117	27%	0.274	C	S	.	.	H	α-helix	trans	-66	-45.7	173.8	-57	0	0	0	0	111.3	P389 M392 Y393 Q479 L480 S481 K485 K486 I487	P389-T483 WeakPolarHBondContact CB-OG1 3.2Å; M392-T483 HydrophobicContact CB-CG2 4.43Å; Y393-T483 HydrophobicContact CD2-CG2 4.46Å; Q479-T483 PolarHBondContact O-N 3.08Å; Q479-T483 PolarHBondContact O-OG1 2.78Å; L480-T483 WeakPolarHBondContact O-CA 3.16Å; L480-T483 VanDerWaalsContact O-CB 3.28Å; L480-T483 WeakPolarHBondContact O-CB 3.18Å; L480-T483 PolarHBondContact O-N 3.35Å; L480-T483 VanDerWaalsContact O-N 3.09Å; S481-T483 VanDerWaalsContact C-N 3.27Å; S481-T483 PolarHBondContact O-N 2.9Å; T483-K485 VanDerWaalsContact C-N 3.34Å; T483-K485 PolarHBondContact O-N 3.42Å; T483-K486 PolarHBondContact O-N 2.74Å; T483-I487 HydrophobicContact CG2-CD1 4.23Å; T483-I487 WeakPolarHBondContact O-CG1 3.38Å; T483-I487 PolarHBondContact O-N 3.31Å
484	L	98.9	Very high	98.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-60.7	-43.9	174.8	-68.5	174.8	0	0	0	111.7	Y368 M392 V396 L415 Y416 L418 L480 S481 K486 I487 A488 Y500	Y368-L484 HydrophobicContact CE1-CD2 4.27Å; M392-L484 HydrophobicContact CE-CD1 3.87Å; M392-L484 HydrophobicContact CE-CD2 3.7Å; M392-L484 HydrophobicContact CE-CG 3.92Å; V396-L484 HydrophobicContact CB-CD2 4.49Å; V396-L484 HydrophobicContact CG1-CD2 4.14Å; V396-L484 HydrophobicContact CG2-CD2 3.72Å; L415-L484 HydrophobicContact CB-CB 4.34Å; L415-L484 HydrophobicContact CB-CD2 4.44Å; L415-L484 HydrophobicContact CD1-CB 4.44Å; L415-L484 HydrophobicContact CD1-CD2 4.12Å; Y416-L484 WeakPolarHBondContact O-CD1 3.36Å; L418-L484 HydrophobicContact CD1-CD1 4.05Å; L480-L484 PolarHBondContact O-N 3.39Å; S481-L484 WeakPolarHBondContact O-CB 3.24Å; S481-L484 PolarHBondContact O-N 2.79Å; L484-K486 VanDerWaalsContact C-N 3.35Å; L484-K486 PolarHBondContact O-N 3.41Å; L484-I487 PolarHBondContact O-N 2.86Å; L484-A488 PolarHBondContact O-N 3.02Å; L484-Y500 HydrophobicContact CB-CD2 3.9Å; L484-Y500 HydrophobicContact CB-CE2 3.91Å
485	K	98.8	Very high	98.6	Very high	91 Å²	91	58.9 Å²	58.9	40%	0.396	31%	0.307	S	S	.	.	H	α-helix	trans	-58.9	-45.9	175.7	-172.3	171.8	-172.9	167.6	0	111.8	S481 N482 T483 A488 T489 Y500	S481-K485 WeakPolarHBondContact O-CB 3.49Å; S481-K485 PolarHBondContact O-N 3.22Å; N482-K485 PolarHBondContact O-N 3.3Å; T483-K485 VanDerWaalsContact C-N 3.34Å; T483-K485 PolarHBondContact O-N 3.42Å; K485-A488 PolarHBondContact O-N 3.06Å; K485-T489 WeakPolarHBondContact O-CG2 3.25Å; K485-T489 PolarHBondContact O-N 2.64Å; K485-T489 PolarHBondContact O-OG1 3.38Å; K485-Y500 HydrophobicContact CB-CD1 3.7Å; K485-Y500 HydrophobicContact CB-CD2 3.92Å; K485-Y500 HydrophobicContact CB-CE1 3.75Å; K485-Y500 HydrophobicContact CB-CE2 3.97Å; K485-Y500 HydrophobicContact CB-CG 3.78Å; K485-Y500 HydrophobicContact CD-CD1 3.93Å; K485-Y500 HydrophobicContact CD-CE1 3.71Å; K485-Y500 HydrophobicContact CG-CD1 3.56Å; K485-Y500 HydrophobicContact CG-CE1 3.8Å; K485-Y500 HydrophobicContact CG-CG 4.02Å
486	K	98.8	Very high	98.6	Very high	130 Å²	130	54.7 Å²	54.7	57%	0.565	29%	0.287	S	S	*	.	H	α-helix	trans	-59.3	-48.1	176.2	-177.8	-178.1	176.5	-175.8	0	111.3	N482 T483 L484 A488 T489 T490	N482-K486 WeakPolarHBondContact O-CB 3.41Å; N482-K486 PolarHBondContact O-N 3.43Å; T483-K486 PolarHBondContact O-N 2.74Å; L484-K486 VanDerWaalsContact C-N 3.35Å; L484-K486 PolarHBondContact O-N 3.41Å; K486-A488 VanDerWaalsContact C-N 3.32Å; K486-A488 PolarHBondContact O-N 2.77Å; K486-T489 PolarHBondContact O-N 2.75Å; K486-T489 PolarHBondContact O-OG1 3.32Å; K486-T490 HydrophobicContact CG-CG2 4.22Å; K486-T490 WeakPolarHBondContact O-CG2 3.36Å; K486-T490 PolarHBondContact O-N 3.35Å; K486-T490 PolarHBondContact O-OG1 2.91Å
487	I	98.8	Very high	98.6	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-56.5	-48.3	178.1	-70.2	161.8	0	0	0	110.7	Y393 V396 M397 L400 L415 T483 L484 T489 T490 E491 L498	Y393-I487 HydrophobicContact CD2-CD1 3.72Å; Y393-I487 HydrophobicContact CD2-CG1 3.5Å; Y393-I487 HydrophobicContact CE2-CD1 4.32Å; Y393-I487 HydrophobicContact CE2-CG1 3.67Å; Y393-I487 HydrophobicContact CG-CD1 4.38Å; V396-I487 HydrophobicContact CB-CD1 3.99Å; V396-I487 HydrophobicContact CG1-CD1 3.87Å; V396-I487 HydrophobicContact CG1-CG2 4.43Å; M397-I487 HydrophobicContact SD-CG2 3.97Å; L400-I487 HydrophobicContact CD1-CG2 3.58Å; L415-I487 HydrophobicContact CD1-CB 4.27Å; L415-I487 HydrophobicContact CD1-CG2 3.98Å; T483-I487 HydrophobicContact CG2-CD1 4.23Å; T483-I487 WeakPolarHBondContact O-CG1 3.38Å; T483-I487 PolarHBondContact O-N 3.31Å; L484-I487 PolarHBondContact O-N 2.86Å; I487-T489 PolarHBondContact O-N 2.8Å; I487-T490 PolarHBondContact O-N 3.49Å; I487-E491 HydrophobicContact CG2-CB 4.39Å; I487-E491 HydrophobicContact CG2-CG 4.08Å; I487-E491 WeakPolarHBondContact O-CB 3.02Å; I487-E491 PolarHBondContact O-N 3.39Å; I487-L498 HydrophobicContact CG2-CD2 4.03Å
488	A	98.6	Very high	98.6	Very high	13 Å²	13	57.9 Å²	57.9	11%	0.107	31%	0.307	C	S	.	.	H	α-helix	trans	-64.6	-25.5	-178	0	0	0	0	0	114.1	L415 L484 K485 K486 L498	L415-A488 HydrophobicContact CD1-CB 4.3Å; L484-A488 PolarHBondContact O-N 3.02Å; K485-A488 PolarHBondContact O-N 3.06Å; K486-A488 VanDerWaalsContact C-N 3.32Å; K486-A488 PolarHBondContact O-N 2.77Å; A488-L498 HydrophobicContact CB-CD2 4.47Å; A488-L498 HydrophobicContact CB-CG 4.11Å
489	T	97.6	Very high	98.6	Very high	110 Å²	110	53.2 Å²	53.2	68%	0.675	29%	0.285	S	S	*	.	H	α-helix	trans	-96.4	-14.9	179.8	59.7	0	0	0	0	114	K485 K486 I487	K485-T489 WeakPolarHBondContact O-CG2 3.25Å; K485-T489 PolarHBondContact O-N 2.64Å; K485-T489 PolarHBondContact O-OG1 3.38Å; K486-T489 PolarHBondContact O-N 2.75Å; K486-T489 PolarHBondContact O-OG1 3.32Å; I487-T489 PolarHBondContact O-N 2.8Å
490	T	98.1	Very high	98.6	Very high	77 Å²	77	49.8 Å²	49.8	47%	0.472	27%	0.268	S	S	.	.	H	α-helix	trans	-110.5	-30.7	-177.9	63.5	0	0	0	0	114.2	K486 I487	K486-T490 HydrophobicContact CG-CG2 4.22Å; K486-T490 WeakPolarHBondContact O-CG2 3.36Å; K486-T490 PolarHBondContact O-N 3.35Å; K486-T490 PolarHBondContact O-OG1 2.91Å; I487-T490 PolarHBondContact O-N 3.49Å
491	E	98.4	Very high	98.5	Very high	56 Å²	56	50 Å²	50	26%	0.262	27%	0.269	S	S	.	.			trans	-95.3	146.7	-173.5	-56.9	-61.2	139.8	0	0	111.7	Y393 M397 I487 F493	Y393-E491 PolarHBondContact OH-OE1 2.77Å; M397-E491 HydrophobicContact CE-CB 4.34Å; M397-E491 HydrophobicContact CE-CG 3.82Å; M397-E491 WeakPolarHBondContact CE-OE2 3.49Å; M397-E491 HydrophobicContact SD-CB 4.42Å; M397-E491 HydrophobicContact SD-CG 3.73Å; I487-E491 HydrophobicContact CG2-CB 4.39Å; I487-E491 HydrophobicContact CG2-CG 4.08Å; I487-E491 WeakPolarHBondContact O-CB 3.02Å; I487-E491 PolarHBondContact O-N 3.39Å; E491-F493 HydrophobicContact CB-CE2 3.94Å; E491-F493 HydrophobicContact CB-CZ 4.49Å
492	T	98.1	Very high	98.3	Very high	128 Å²	128	52.3 Å²	52.3	79%	0.785	28%	0.281	S	S	*	.			trans	-132.7	150	178.3	56.4	0	0	0	0	110.8
493	F	98.6	Very high	97.9	Very high	36 Å²	36	49.4 Å²	49.4	16%	0.158	26%	0.264	C	S	.	.			trans	-136.5	154.2	-176.8	-65.3	-88	0	0	0	109.3	M397 L400 K401 N404 E491 F496 L498	M397-F493 HydrophobicContact CE-CZ 3.95Å; M397-F493 HydrophobicContact SD-CZ 4.43Å; L400-F493 HydrophobicContact CB-CE1 3.78Å; L400-F493 HydrophobicContact CB-CE2 3.87Å; L400-F493 HydrophobicContact CB-CZ 3.34Å; L400-F493 HydrophobicContact CD1-CE2 3.88Å; L400-F493 HydrophobicContact CD1-CZ 3.96Å; L400-F493 HydrophobicContact CG-CE2 4.38Å; L400-F493 HydrophobicContact CG-CZ 4.25Å; K401-F493 HydrophobicContact CG-CE1 4.32Å; N404-F493 HydrophobicContact CB-CB 4.45Å; N404-F493 HydrophobicContact CB-CD1 3.85Å; E491-F493 HydrophobicContact CB-CE2 3.94Å; E491-F493 HydrophobicContact CB-CZ 4.49Å; F493-F496 HydrophobicContact CB-CD1 4.3Å; F493-F496 HydrophobicContact CB-CD2 4.09Å; F493-F496 HydrophobicContact CB-CE1 3.93Å; F493-F496 HydrophobicContact CB-CE2 3.68Å; F493-F496 HydrophobicContact CB-CG 4.38Å; F493-F496 HydrophobicContact CB-CZ 3.59Å; F493-F496 HydrophobicContact CD1-CE1 4.38Å; F493-F496 HydrophobicContact CD1-CE2 4.45Å; F493-F496 AromaticContact CD1-CZ 3.81Å; F493-F496 HydrophobicContact CD1-CZ 3.81Å; F493-F496 HydrophobicContact CD2-CD2 4.4Å; F493-F496 AromaticContact CD2-CE2 3.41Å; F493-F496 HydrophobicContact CD2-CE2 3.41Å; F493-F496 VanDerWaalsContact CD2-CE2 3.41Å; F493-F496 AromaticContact CD2-CZ 3.58Å; F493-F496 HydrophobicContact CD2-CZ 3.58Å; F493-F496 HydrophobicContact CE1-CZ 4.4Å; F493-F496 HydrophobicContact CE2-CE2 4.19Å; F493-F496 HydrophobicContact CE2-CZ 4.23Å; F493-F496 HydrophobicContact CG-CD2 4.46Å; F493-F496 HydrophobicContact CG-CE1 4.08Å; F493-F496 AromaticContact CG-CE2 3.58Å; F493-F496 HydrophobicContact CG-CE2 3.58Å; F493-F496 AromaticContact CG-CZ 3.35Å; F493-F496 HydrophobicContact CG-CZ 3.35Å; F493-L498 HydrophobicContact CD2-CD2 4.36Å; F493-L498 HydrophobicContact CE2-CD2 4Å
494	T	98.4	Very high	97.2	Very high	105 Å²	105	49.2 Å²	49.2	64%	0.644	26%	0.263	S	S	*	.	S	Bend	trans	-79	-32.9	-172.6	50.1	0	0	0	0	113.1	N404 N409	N404-T494 PolarHBondContact ND2-OG1 2.75Å; N404-T494 PolarHBondContact OD1-N 3.33Å; N404-T494 VanDerWaalsContact OD1-N 3.15Å; N404-T494 PolarHBondContact OD1-OG1 3.11Å; N409-T494 PolarHBondContact OD1-O 3.2Å
495	N	98.7	Very high	96.8	Very high	27 Å²	27	49.7 Å²	49.7	14%	0.144	27%	0.265	C	S	.	.	S	Bend	trans	-102.4	-8.9	-171.3	-68.4	-54.2	0	0	0	114.2	Q358 N404 L407 N409 G410 S411	Q358-N495 PolarHBondContact NE2-ND2 3.31Å; N404-N495 PolarHBondContact O-ND2 3.23Å; N404-N495 PolarHBondContact OD1-N 3.32Å; L407-N495 WeakPolarHBondContact O-CB 3.32Å; N409-N495 WeakPolarHBondContact CA-O 3.33Å; G410-N495 PolarHBondContact N-O 3.09Å; S411-N495 PolarHBondContact N-O 3.08Å; S411-N495 VanDerWaalsContact N-O 3.17Å
496	F	98.8	Very high	96.3	Very high	5 Å²	5	50.5 Å²	50.5	2%	0.022	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	152.5	177.7	60.2	-98.9	0	0	0	113.3	L400 L403 N404 L407 S411 V413 F493 L498	L400-F496 HydrophobicContact CB-CZ 4.29Å; L400-F496 HydrophobicContact CD2-CE2 4.13Å; L400-F496 HydrophobicContact CD2-CZ 4.07Å; L403-F496 HydrophobicContact CB-CE1 3.99Å; L403-F496 HydrophobicContact CB-CZ 4.5Å; N404-F496 HydrophobicContact CB-CE1 3.74Å; N404-F496 HydrophobicContact CB-CZ 4.43Å; L407-F496 HydrophobicContact CD1-CD1 3.92Å; L407-F496 HydrophobicContact CD1-CE1 4.46Å; S411-F496 WeakPolarHBondContact O-CA 3.36Å; S411-F496 VanDerWaalsContact O-CB 3.23Å; S411-F496 WeakPolarHBondContact O-CB 3.31Å; V413-F496 HydrophobicContact CB-CD2 3.81Å; V413-F496 HydrophobicContact CB-CE2 4.03Å; V413-F496 HydrophobicContact CB-CG 4.43Å; V413-F496 HydrophobicContact CG2-CB 4.1Å; V413-F496 HydrophobicContact CG2-CD1 3.98Å; V413-F496 HydrophobicContact CG2-CD2 3.38Å; V413-F496 HydrophobicContact CG2-CE1 4.22Å; V413-F496 HydrophobicContact CG2-CE2 3.69Å; V413-F496 HydrophobicContact CG2-CG 3.55Å; V413-F496 HydrophobicContact CG2-CZ 4.1Å; F493-F496 HydrophobicContact CB-CD1 4.3Å; F493-F496 HydrophobicContact CB-CD2 4.09Å; F493-F496 HydrophobicContact CB-CE1 3.93Å; F493-F496 HydrophobicContact CB-CE2 3.68Å; F493-F496 HydrophobicContact CB-CG 4.38Å; F493-F496 HydrophobicContact CB-CZ 3.59Å; F493-F496 HydrophobicContact CD1-CE1 4.38Å; F493-F496 HydrophobicContact CD1-CE2 4.45Å; F493-F496 AromaticContact CD1-CZ 3.81Å; F493-F496 HydrophobicContact CD1-CZ 3.81Å; F493-F496 HydrophobicContact CD2-CD2 4.4Å; F493-F496 AromaticContact CD2-CE2 3.41Å; F493-F496 HydrophobicContact CD2-CE2 3.41Å; F493-F496 VanDerWaalsContact CD2-CE2 3.41Å; F493-F496 AromaticContact CD2-CZ 3.58Å; F493-F496 HydrophobicContact CD2-CZ 3.58Å; F493-F496 HydrophobicContact CE1-CZ 4.4Å; F493-F496 HydrophobicContact CE2-CE2 4.19Å; F493-F496 HydrophobicContact CE2-CZ 4.23Å; F493-F496 HydrophobicContact CG-CD2 4.46Å; F493-F496 HydrophobicContact CG-CE1 4.08Å; F493-F496 AromaticContact CG-CE2 3.58Å; F493-F496 HydrophobicContact CG-CE2 3.58Å; F493-F496 AromaticContact CG-CZ 3.35Å; F493-F496 HydrophobicContact CG-CZ 3.35Å; F496-L498 HydrophobicContact CE2-CB 4.43Å; F496-L498 HydrophobicContact CE2-CD1 4.24Å
497	N	98.6	Very high	96	Very high	91 Å²	91	48 Å²	48	49%	0.487	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	143.8	165.9	-63.3	-21.2	0	0	0	109.8	S411 V413 F499	S411-N497 PolarHBondContact O-N 3.08Å; V413-N497 PolarHBondContact N-O 2.78Å; N497-F499 HydrophobicContact CB-CE2 3.56Å; N497-F499 HydrophobicContact CB-CZ 3.67Å
498	L	98.7	Very high	95.8	Very high	20 Å²	20	48 Å²	48	11%	0.105	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	136.5	-176.9	-168.8	60.3	0	0	0	110.6	L400 V413 L415 I487 A488 F493 F496	L400-L498 HydrophobicContact CD1-CD1 4.47Å; L400-L498 HydrophobicContact CD1-CD2 3.76Å; L400-L498 HydrophobicContact CD2-CD1 3.79Å; L400-L498 HydrophobicContact CD2-CD2 4.45Å; V413-L498 HydrophobicContact CB-CD1 3.68Å; V413-L498 HydrophobicContact CG1-CD1 3.62Å; V413-L498 CarbonylContact O-C 3.34Å; V413-L498 WeakPolarHBondContact O-CA 3.4Å; L415-L498 HydrophobicContact CD1-CD1 4.25Å; L415-L498 HydrophobicContact CD1-CD2 4.45Å; L415-L498 HydrophobicContact CD2-CD1 4.25Å; L415-L498 HydrophobicContact CG-CD1 3.93Å; I487-L498 HydrophobicContact CG2-CD2 4.03Å; A488-L498 HydrophobicContact CB-CD2 4.47Å; A488-L498 HydrophobicContact CB-CG 4.11Å; F493-L498 HydrophobicContact CD2-CD2 4.36Å; F493-L498 HydrophobicContact CE2-CD2 4Å; F496-L498 HydrophobicContact CE2-CB 4.43Å; F496-L498 HydrophobicContact CE2-CD1 4.24Å
499	F	98.7	Very high	95.6	Very high	23 Å²	23	48.6 Å²	48.6	10%	0.101	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	159.8	-178.5	-54.1	-87.6	0	0	0	110.1	H412 V413 I414 L415 N497 W551 I554	H412-F499 HydrophobicContact CB-CE2 4.21Å; H412-F499 AromaticContact ND1-CE2 3.96Å; V413-F499 PolarHBondContact O-N 3.39Å; I414-F499 HydrophobicContact CG1-CB 4.3Å; I414-F499 HydrophobicContact CG1-CD2 4.43Å; L415-F499 PolarHBondContact N-O 3.11Å; N497-F499 HydrophobicContact CB-CE2 3.56Å; N497-F499 HydrophobicContact CB-CZ 3.67Å; F499-W551 HydrophobicContact CB-CZ3 4.4Å; F499-W551 AromaticContact CD1-CD1 3.84Å; F499-W551 AromaticContact CD1-CD2 3.6Å; F499-W551 HydrophobicContact CD1-CD2 3.6Å; F499-W551 AromaticContact CD1-CE2 3.63Å; F499-W551 HydrophobicContact CD1-CE3 4.17Å; F499-W551 AromaticContact CD1-CG 3.76Å; F499-W551 HydrophobicContact CD1-CG 3.76Å; F499-W551 HydrophobicContact CD1-CZ2 4.21Å; F499-W551 AromaticContact CD1-NE1 3.75Å; F499-W551 HydrophobicContact CE1-CB 4.19Å; F499-W551 AromaticContact CE1-CD1 3.58Å; F499-W551 HydrophobicContact CE1-CD2 4.04Å; F499-W551 AromaticContact CE1-CG 3.65Å; F499-W551 HydrophobicContact CE1-CG 3.65Å; F499-W551 AromaticContact CE1-NE1 3.9Å; F499-W551 HydrophobicContact CG-CD2 4.35Å; F499-W551 HydrophobicContact CG-CE3 4.49Å; F499-I554 HydrophobicContact CD1-CD1 4.17Å; F499-I554 HydrophobicContact CD2-CD1 3.52Å; F499-I554 HydrophobicContact CD2-CG1 4.44Å; F499-I554 HydrophobicContact CE1-CD1 4.07Å; F499-I554 HydrophobicContact CE2-CD1 3.41Å; F499-I554 VanDerWaalsContact CE2-CD1 3.41Å; F499-I554 HydrophobicContact CE2-CG1 3.86Å; F499-I554 HydrophobicContact CG-CD1 3.91Å; F499-I554 HydrophobicContact CZ-CD1 3.7Å; F499-I554 HydrophobicContact CZ-CG1 4Å
500	Y	98.6	Very high	95.5	Very high	23 Å²	23	48.1 Å²	48.1	9%	0.09	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	142.6	172.8	167.8	-92.2	0	0	0	110.4	L415 S481 L484 K485 D502 W551	L415-Y500 HydrophobicContact CB-CD2 4.39Å; L415-Y500 CarbonylContact O-C 3.53Å; L415-Y500 WeakPolarHBondContact O-CA 3.48Å; L415-Y500 WeakPolarHBondContact O-CD2 3.34Å; S481-Y500 WeakPolarHBondContact O-CE2 3.08Å; L484-Y500 HydrophobicContact CB-CD2 3.9Å; L484-Y500 HydrophobicContact CB-CE2 3.91Å; K485-Y500 HydrophobicContact CB-CD1 3.7Å; K485-Y500 HydrophobicContact CB-CD2 3.92Å; K485-Y500 HydrophobicContact CB-CE1 3.75Å; K485-Y500 HydrophobicContact CB-CE2 3.97Å; K485-Y500 HydrophobicContact CB-CG 3.78Å; K485-Y500 HydrophobicContact CD-CD1 3.93Å; K485-Y500 HydrophobicContact CD-CE1 3.71Å; K485-Y500 HydrophobicContact CG-CD1 3.56Å; K485-Y500 HydrophobicContact CG-CE1 3.8Å; K485-Y500 HydrophobicContact CG-CG 4.02Å; Y500-D502 HydrophobicContact CE1-CB 4.47Å; Y500-D502 WeakPolarHBondContact CE1-OD1 3.45Å; Y500-D502 VanDerWaalsContact CZ-OD1 3.28Å; Y500-D502 PolarHBondContact OH-OD1 3.06Å; Y500-W551 WeakPolarHBondContact O-CH2 3.42Å
501	M	97.1	Very high	95.3	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.015	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	127	175	-170.4	173	-55.9	0	0	110.7	I414 L415 Y416 G417 V543 K546 I547 W551	I414-M501 HydrophobicContact CG2-CB 4.15Å; L415-M501 PolarHBondContact O-N 3.34Å; Y416-M501 CarbonylContact C-O 3.59Å; Y416-M501 WeakPolarHBondContact CA-O 3.42Å; Y416-M501 HydrophobicContact CD2-CB 3.87Å; Y416-M501 HydrophobicContact CD2-CG 4.27Å; Y416-M501 HydrophobicContact CE2-CB 3.86Å; Y416-M501 HydrophobicContact CE2-CG 3.73Å; Y416-M501 HydrophobicContact CE2-SD 3.65Å; G417-M501 PolarHBondContact N-O 2.82Å; M501-V543 HydrophobicContact CE-CG1 4.24Å; M501-V543 HydrophobicContact SD-CB 4.16Å; M501-V543 HydrophobicContact SD-CG1 4.16Å; M501-V543 HydrophobicContact SD-CG2 3.83Å; M501-K546 HydrophobicContact CE-CB 3.98Å; M501-K546 HydrophobicContact CE-CD 4.04Å; M501-K546 HydrophobicContact CE-CG 3.94Å; M501-K546 HydrophobicContact CG-CD 3.91Å; M501-K546 HydrophobicContact SD-CB 4.29Å; M501-K546 HydrophobicContact SD-CD 3.87Å; M501-K546 HydrophobicContact SD-CG 4.35Å; M501-I547 HydrophobicContact CE-CG1 3.83Å; M501-W551 HydrophobicContact CE-CZ3 3.95Å
502	D	95.4	Very high	95.3	Very high	58 Å²	58	45.4 Å²	45.4	31%	0.31	23%	0.232	S	C	.	.			trans	-63.9	146.5	173.3	-58.6	-69.9	0	0	0	112.1	Y500 V504	Y500-D502 HydrophobicContact CE1-CB 4.47Å; Y500-D502 WeakPolarHBondContact CE1-OD1 3.45Å; Y500-D502 VanDerWaalsContact CZ-OD1 3.28Å; Y500-D502 PolarHBondContact OH-OD1 3.06Å; D502-V504 HydrophobicContact CB-CG1 4Å; D502-V504 PolarHBondContact O-N 3.08Å
503	F	90.5	Very high	95.2	Very high	22 Å²	22	43.8 Å²	43.8	10%	0.096	22%	0.216	C	C	.	.			trans	-83.5	90.9	170	-164.4	-80.7	0	0	0	110	I371 Y416 G417 P419 F505 L539	I371-F503 HydrophobicContact CB-CE2 4.48Å; I371-F503 HydrophobicContact CD1-CD2 4.48Å; I371-F503 HydrophobicContact CD1-CE2 3.69Å; I371-F503 HydrophobicContact CD1-CZ 4.33Å; I371-F503 HydrophobicContact CG2-CD2 4.16Å; I371-F503 HydrophobicContact CG2-CE2 4.38Å; Y416-F503 AromaticContact CD1-CD2 3.58Å; Y416-F503 HydrophobicContact CD1-CD2 3.58Å; Y416-F503 HydrophobicContact CD1-CE2 4.23Å; Y416-F503 HydrophobicContact CE1-CB 4.47Å; Y416-F503 AromaticContact CE1-CD2 3.3Å; Y416-F503 HydrophobicContact CE1-CD2 3.3Å; Y416-F503 AromaticContact CE1-CE2 3.8Å; Y416-F503 HydrophobicContact CE1-CE2 3.8Å; Y416-F503 HydrophobicContact CE1-CG 4.2Å; G417-F503 WeakPolarHBondContact O-CB 3.14Å; P419-F503 HydrophobicContact CB-CD1 3.46Å; P419-F503 VanDerWaalsContact CB-CD1 3.46Å; P419-F503 HydrophobicContact CB-CE1 3.6Å; P419-F503 HydrophobicContact CB-CG 4.11Å; P419-F503 HydrophobicContact CB-CZ 4.39Å; P419-F503 HydrophobicContact CG-CD1 4.39Å; P419-F503 HydrophobicContact CG-CE1 4.37Å; F503-F505 VanDerWaalsContact C-N 3.35Å; F503-F505 HydrophobicContact CD1-CB 3.9Å; F503-F505 HydrophobicContact CD1-CD2 4.41Å; F503-F505 HydrophobicContact CE1-CB 3.67Å; F503-F505 AromaticContact CE1-CD2 3.41Å; F503-F505 HydrophobicContact CE1-CD2 3.41Å; F503-F505 VanDerWaalsContact CE1-CD2 3.41Å; F503-F505 HydrophobicContact CE1-CE2 4.39Å; F503-F505 AromaticContact CE1-CG 3.9Å; F503-F505 HydrophobicContact CE1-CG 3.9Å; F503-F505 AromaticContact CZ-CD2 3.94Å; F503-F505 HydrophobicContact CZ-CD2 3.94Å; F503-F505 PolarHBondContact O-N 2.91Å; F503-F505 VanDerWaalsContact O-N 3.13Å; F503-L539 HydrophobicContact CE1-CD2 4.37Å; F503-L539 HydrophobicContact CE2-CD1 4.06Å; F503-L539 HydrophobicContact CE2-CD2 4.27Å; F503-L539 HydrophobicContact CZ-CD1 3.68Å; F503-L539 HydrophobicContact CZ-CD2 4.07Å
504	V	83.8	Confident	95.1	Very high	16 Å²	16	49.5 Å²	49.5	10%	0.097	24%	0.24	C	C	.	.			trans	-89.5	61.6	-173.2	-69.5	0	0	0	0	112.6	D502 H506 E507 I508	D502-V504 HydrophobicContact CB-CG1 4Å; D502-V504 PolarHBondContact O-N 3.08Å; V504-H506 PolarHBondContact O-N 3.2Å; V504-E507 HydrophobicContact CB-CB 4.27Å; V504-E507 HydrophobicContact CB-CG 4.29Å; V504-E507 WeakPolarHBondContact CB-OE1 3.22Å; V504-E507 WeakPolarHBondContact CG1-OE1 3.44Å; V504-E507 HydrophobicContact CG2-CB 4.29Å; V504-E507 WeakPolarHBondContact O-CB 3.31Å; V504-E507 PolarHBondContact O-N 2.87Å; V504-E507 VanDerWaalsContact O-N 3.07Å; V504-I508 PolarHBondContact O-N 2.82Å
505	F	89.3	Confident	95.1	Very high	9 Å²	9	49.2 Å²	49.2	4%	0.039	23%	0.228	C	C	.	.	H	α-helix	trans	-63.5	-28.5	-177.4	-152.8	-100.4	0	0	0	113.5	F423 F503 E507 I508 I509 L522 P531 A535 L539	F423-F505 AromaticContact CD1-CD1 3.84Å; F423-F505 HydrophobicContact CD1-CD1 3.84Å; F423-F505 HydrophobicContact CD1-CE1 4.32Å; F423-F505 HydrophobicContact CD2-CD1 4.02Å; F423-F505 AromaticContact CD2-CE1 3.72Å; F423-F505 HydrophobicContact CD2-CE1 3.72Å; F423-F505 HydrophobicContact CE1-CB 4.48Å; F423-F505 AromaticContact CE1-CD1 3.47Å; F423-F505 HydrophobicContact CE1-CD1 3.47Å; F423-F505 VanDerWaalsContact CE1-CD1 3.47Å; F423-F505 AromaticContact CE1-CE1 3.82Å; F423-F505 HydrophobicContact CE1-CE1 3.82Å; F423-F505 AromaticContact CE1-CG 3.99Å; F423-F505 HydrophobicContact CE1-CG 3.99Å; F423-F505 AromaticContact CE2-CD1 3.67Å; F423-F505 HydrophobicContact CE2-CD1 3.67Å; F423-F505 AromaticContact CE2-CE1 3.13Å; F423-F505 HydrophobicContact CE2-CE1 3.13Å; F423-F505 AromaticContact CE2-CZ 3.8Å; F423-F505 HydrophobicContact CE2-CZ 3.8Å; F423-F505 HydrophobicContact CG-CD1 4.11Å; F423-F505 HydrophobicContact CG-CE1 4.3Å; F423-F505 AromaticContact CZ-CD1 3.39Å; F423-F505 HydrophobicContact CZ-CD1 3.39Å; F423-F505 AromaticContact CZ-CE1 3.19Å; F423-F505 HydrophobicContact CZ-CE1 3.19Å; F423-F505 HydrophobicContact CZ-CE2 4.32Å; F423-F505 HydrophobicContact CZ-CG 4.07Å; F423-F505 AromaticContact CZ-CZ 3.68Å; F423-F505 HydrophobicContact CZ-CZ 3.68Å; F503-F505 VanDerWaalsContact C-N 3.35Å; F503-F505 HydrophobicContact CD1-CB 3.9Å; F503-F505 HydrophobicContact CD1-CD2 4.41Å; F503-F505 HydrophobicContact CE1-CB 3.67Å; F503-F505 AromaticContact CE1-CD2 3.41Å; F503-F505 HydrophobicContact CE1-CD2 3.41Å; F503-F505 VanDerWaalsContact CE1-CD2 3.41Å; F503-F505 HydrophobicContact CE1-CE2 4.39Å; F503-F505 AromaticContact CE1-CG 3.9Å; F503-F505 HydrophobicContact CE1-CG 3.9Å; F503-F505 AromaticContact CZ-CD2 3.94Å; F503-F505 HydrophobicContact CZ-CD2 3.94Å; F503-F505 PolarHBondContact O-N 2.91Å; F503-F505 VanDerWaalsContact O-N 3.13Å; F505-E507 PolarHBondContact O-N 2.76Å; F505-I508 HydrophobicContact CD2-CB 4.48Å; F505-I508 WeakPolarHBondContact O-CB 3.03Å; F505-I508 PolarHBondContact O-N 3Å; F505-I508 VanDerWaalsContact O-N 3.09Å; F505-I509 HydrophobicContact CD1-CD1 3.64Å; F505-I509 HydrophobicContact CD1-CG1 3.8Å; F505-I509 HydrophobicContact CE1-CD1 3.91Å; F505-I509 HydrophobicContact CE1-CG1 3.81Å; F505-I509 PolarHBondContact O-N 3.12Å; F505-L522 HydrophobicContact CE1-CD1 4.45Å; F505-L522 HydrophobicContact CZ-CB 4.15Å; F505-L522 HydrophobicContact CZ-CD1 4.45Å; F505-P531 HydrophobicContact CE2-CB 4.34Å; F505-A535 HydrophobicContact CE2-CB 4.24Å; F505-A535 HydrophobicContact CZ-CB 4.28Å; F505-L539 HydrophobicContact CD2-CD1 4.4Å; F505-L539 HydrophobicContact CD2-CD2 4.48Å; F505-L539 HydrophobicContact CE2-CD1 4.34Å
506	H	89.6	Confident	95	Very high	109 Å²	109	51 Å²	51	51%	0.505	25%	0.252	S	S	.	.	H	α-helix	trans	-57.4	-37.7	173.4	55.4	50.1	0	0	0	112.1	V504 I508 I509 E510	V504-H506 PolarHBondContact O-N 3.2Å; H506-I508 VanDerWaalsContact C-N 3.31Å; H506-I508 PolarHBondContact O-N 3.08Å; H506-I509 PolarHBondContact O-N 2.79Å; H506-E510 WeakPolarHBondContact O-CG 3.47Å; H506-E510 PolarHBondContact O-N 2.91Å
507	E	91.4	Very high	94.9	Very high	77 Å²	77	51 Å²	51	36%	0.36	25%	0.254	S	S	.	.	H	α-helix	trans	-71.2	-31.8	178.9	-81.6	168.7	-131.7	0	0	110.8	V504 F505 E511	V504-E507 HydrophobicContact CB-CB 4.27Å; V504-E507 HydrophobicContact CB-CG 4.29Å; V504-E507 WeakPolarHBondContact CB-OE1 3.22Å; V504-E507 WeakPolarHBondContact CG1-OE1 3.44Å; V504-E507 HydrophobicContact CG2-CB 4.29Å; V504-E507 WeakPolarHBondContact O-CB 3.31Å; V504-E507 PolarHBondContact O-N 2.87Å; V504-E507 VanDerWaalsContact O-N 3.07Å; F505-E507 PolarHBondContact O-N 2.76Å; E507-E511 VanDerWaalsContact O-CB 3.26Å; E507-E511 WeakPolarHBondContact O-CB 3.3Å; E507-E511 PolarHBondContact O-N 3.18Å
508	I	94.6	Very high	94.9	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-68.6	-44.3	174.7	-53.9	-56.7	0	0	0	110.3	V504 F505 H506 E511 W512 L522 L538 L539 R542	V504-I508 PolarHBondContact O-N 2.82Å; F505-I508 HydrophobicContact CD2-CB 4.48Å; F505-I508 WeakPolarHBondContact O-CB 3.03Å; F505-I508 PolarHBondContact O-N 3Å; F505-I508 VanDerWaalsContact O-N 3.09Å; H506-I508 VanDerWaalsContact C-N 3.31Å; H506-I508 PolarHBondContact O-N 3.08Å; I508-E511 PolarHBondContact O-N 2.95Å; I508-W512 WeakPolarHBondContact O-CB 3.33Å; I508-W512 PolarHBondContact O-N 3.05Å; I508-L522 HydrophobicContact CG2-CD1 4.17Å; I508-L538 HydrophobicContact CD1-CB 4.15Å; I508-L538 HydrophobicContact CG2-CB 3.78Å; I508-L538 HydrophobicContact CG2-CD1 3.92Å; I508-L539 HydrophobicContact CD1-CD2 4.01Å; I508-L539 HydrophobicContact CD1-CG 4.2Å; I508-L539 HydrophobicContact CG1-CD2 3.64Å; I508-L539 HydrophobicContact CG1-CG 3.98Å; I508-R542 HydrophobicContact CD1-CB 4.22Å; I508-R542 HydrophobicContact CD1-CG 3.47Å; I508-R542 VanDerWaalsContact CD1-CG 3.47Å
509	I	95.1	Very high	94.8	Very high	25 Å²	25	51.2 Å²	51.2	13%	0.128	25%	0.253	C	S	.	.	H	α-helix	trans	-60.1	-48.9	174.7	-69.9	169.1	0	0	0	110.5	F423 F505 H506 E511 W512 Q513 P519 L522	F423-I509 HydrophobicContact CB-CD1 4.12Å; F423-I509 HydrophobicContact CD2-CD1 4.16Å; F423-I509 HydrophobicContact CG-CD1 4.1Å; F505-I509 HydrophobicContact CD1-CD1 3.64Å; F505-I509 HydrophobicContact CD1-CG1 3.8Å; F505-I509 HydrophobicContact CE1-CD1 3.91Å; F505-I509 HydrophobicContact CE1-CG1 3.81Å; F505-I509 PolarHBondContact O-N 3.12Å; H506-I509 PolarHBondContact O-N 2.79Å; I509-E511 PolarHBondContact O-N 2.86Å; I509-W512 PolarHBondContact O-N 2.85Å; I509-Q513 HydrophobicContact CG2-CG 4.34Å; I509-Q513 WeakPolarHBondContact O-CB 3.27Å; I509-Q513 VanDerWaalsContact O-CG 3.31Å; I509-Q513 WeakPolarHBondContact O-CG 3.35Å; I509-Q513 PolarHBondContact O-N 3.42Å; I509-P519 HydrophobicContact CG1-CB 4.43Å; I509-P519 HydrophobicContact CG2-CB 4.2Å; I509-P519 HydrophobicContact CG2-CG 3.81Å; I509-L522 HydrophobicContact CG1-CD1 4.06Å
510	E	94.7	Very high	94.8	Very high	99 Å²	99	55.5 Å²	55.5	46%	0.463	27%	0.269	S	S	.	.	H	α-helix	trans	-61.1	-42.7	178.8	-75.5	177.5	-164.8	0	0	112.3	H506 W512 Q513 K514	H506-E510 WeakPolarHBondContact O-CG 3.47Å; H506-E510 PolarHBondContact O-N 2.91Å; E510-W512 VanDerWaalsContact C-N 3.33Å; E510-Q513 PolarHBondContact O-N 3.4Å; E510-K514 VanDerWaalsContact O-CG 3.27Å; E510-K514 WeakPolarHBondContact O-CG 3.4Å; E510-K514 PolarHBondContact O-N 3.22Å
511	E	94.6	Very high	94.8	Very high	36 Å²	36	57.7 Å²	57.7	17%	0.168	28%	0.28	C	S	.	.	H	α-helix	trans	-61.7	-43.2	175.6	-179.5	60	-157.7	0	0	111.4	E507 I508 I509 K514 R515 L538 R542	E507-E511 VanDerWaalsContact O-CB 3.26Å; E507-E511 WeakPolarHBondContact O-CB 3.3Å; E507-E511 PolarHBondContact O-N 3.18Å; I508-E511 PolarHBondContact O-N 2.95Å; I509-E511 PolarHBondContact O-N 2.86Å; E511-K514 WeakPolarHBondContact O-CB 3.39Å; E511-K514 PolarHBondContact O-N 2.87Å; E511-R515 WeakPolarHBondContact O-CG 3.22Å; E511-R515 PolarHBondContact O-N 3.15Å; E511-R515 IonicContact OE1-CZ 2.89Å; E511-R515 IonicContact OE1-NE 3.22Å; E511-R515 PolarHBondContact OE1-NE 3.19Å; E511-R515 IonicContact OE1-NH2 3.95Å; E511-R515 PolarHBondContact OE1-NH2 3.39Å; E511-L538 HydrophobicContact CG-CD2 4.43Å; E511-R542 IonicContact OE2-CZ 3.23Å; E511-R542 IonicContact OE2-NH2 2.86Å; E511-R542 PolarHBondContact OE2-NH2 2.81Å
512	W	97.3	Very high	94.9	Very high	41 Å²	41	57.6 Å²	57.6	16%	0.155	28%	0.279	C	S	.	.	H	α-helix	trans	-66.4	-40.7	178.6	-170.7	-123.7	0	0	0	112.3	I508 I509 E510 K514 R515 G516 G517 Q518 Q521 L522 V534 L538	I508-W512 WeakPolarHBondContact O-CB 3.33Å; I508-W512 PolarHBondContact O-N 3.05Å; I509-W512 PolarHBondContact O-N 2.85Å; E510-W512 VanDerWaalsContact C-N 3.33Å; W512-K514 VanDerWaalsContact C-N 3.34Å; W512-K514 PolarHBondContact O-N 3.43Å; W512-R515 HydrophobicContact CE3-CB 4.47Å; W512-R515 CarbonylContact O-C 3.53Å; W512-R515 WeakPolarHBondContact O-CA 3.33Å; W512-R515 WeakPolarHBondContact O-CB 3.44Å; W512-R515 PolarHBondContact O-N 3.18Å; W512-G516 PolarHBondContact O-N 3.47Å; W512-G517 WeakPolarHBondContact O-CA 3.16Å; W512-G517 PolarHBondContact O-N 2.94Å; W512-Q518 VanDerWaalsContact CD1-O 3.27Å; W512-Q518 PolarHBondContact NE1-O 3.24Å; W512-Q521 VanDerWaalsContact NE1-OE1 3.11Å; W512-L522 HydrophobicContact CB-CD1 3.91Å; W512-L522 HydrophobicContact CB-CD2 4.15Å; W512-L522 HydrophobicContact CB-CG 4.36Å; W512-L522 HydrophobicContact CD2-CD2 3.98Å; W512-L522 HydrophobicContact CG-CD1 4.08Å; W512-L522 HydrophobicContact CG-CD2 3.72Å; W512-L522 HydrophobicContact CG-CG 4Å; W512-V534 HydrophobicContact CD2-CG1 4.48Å; W512-V534 HydrophobicContact CE3-CG1 4.04Å; W512-V534 HydrophobicContact CH2-CG1 4Å; W512-V534 HydrophobicContact CZ2-CG1 4.41Å; W512-V534 HydrophobicContact CZ3-CG1 3.79Å; W512-L538 HydrophobicContact CB-CD1 4.43Å; W512-L538 HydrophobicContact CE3-CD1 4.05Å
513	Q	97	Very high	95	Very high	93 Å²	93	55 Å²	55	44%	0.435	27%	0.266	S	S	.	.	H	α-helix	trans	-63.1	-38	174.7	-74.1	174.9	-28.1	0	0	112.4	I509 E510 R515 G516	I509-Q513 HydrophobicContact CG2-CG 4.34Å; I509-Q513 WeakPolarHBondContact O-CB 3.27Å; I509-Q513 VanDerWaalsContact O-CG 3.31Å; I509-Q513 WeakPolarHBondContact O-CG 3.35Å; I509-Q513 PolarHBondContact O-N 3.42Å; E510-Q513 PolarHBondContact O-N 3.4Å; Q513-R515 PolarHBondContact O-N 3.25Å; Q513-G516 PolarHBondContact O-N 3.3Å
514	K	96.9	Very high	95.4	Very high	156 Å²	156	54.1 Å²	54.1	68%	0.678	26%	0.262	S	S	*	.	H	α-helix	trans	-61.4	-27.2	173.3	-73.5	167.7	-169.9	166.7	0	112.6	E510 E511 W512 G516	E510-K514 VanDerWaalsContact O-CG 3.27Å; E510-K514 WeakPolarHBondContact O-CG 3.4Å; E510-K514 PolarHBondContact O-N 3.22Å; E511-K514 WeakPolarHBondContact O-CB 3.39Å; E511-K514 PolarHBondContact O-N 2.87Å; W512-K514 VanDerWaalsContact C-N 3.34Å; W512-K514 PolarHBondContact O-N 3.43Å; K514-G516 VanDerWaalsContact C-N 3.28Å
515	R	96.9	Very high	96.1	Very high	100 Å²	100	55.2 Å²	55.2	38%	0.377	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	6	174.3	-60.1	177	-169.3	-156.9	2.8	113.4	E316 E511 W512 Q513 G517	E316-R515 IonicContact OE1-CZ 3.64Å; E316-R515 IonicContact OE1-NH1 2.92Å; E316-R515 PolarHBondContact OE1-NH1 3.35Å; E316-R515 IonicContact OE1-NH2 2.86Å; E316-R515 PolarHBondContact OE1-NH2 3.07Å; E316-R515 IonicContact OE2-CZ 2.69Å; E316-R515 IonicContact OE2-NH1 3.65Å; E316-R515 PolarHBondContact OE2-NH1 3.02Å; E511-R515 WeakPolarHBondContact O-CG 3.22Å; E511-R515 PolarHBondContact O-N 3.15Å; E511-R515 IonicContact OE1-CZ 2.89Å; E511-R515 IonicContact OE1-NE 3.22Å; E511-R515 PolarHBondContact OE1-NE 3.19Å; E511-R515 IonicContact OE1-NH2 3.95Å; E511-R515 PolarHBondContact OE1-NH2 3.39Å; W512-R515 HydrophobicContact CE3-CB 4.47Å; W512-R515 CarbonylContact O-C 3.53Å; W512-R515 WeakPolarHBondContact O-CA 3.33Å; W512-R515 WeakPolarHBondContact O-CB 3.44Å; W512-R515 PolarHBondContact O-N 3.18Å; Q513-R515 PolarHBondContact O-N 3.25Å; R515-G517 VanDerWaalsContact C-N 3.34Å
516	G	97.4	Very high	96.5	Very high	64 Å²	64	55.2 Å²	55.2	66%	0.66	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	5.6	-178	0	0	0	0	0	114.5	W512 Q513 K514	W512-G516 PolarHBondContact O-N 3.47Å; Q513-G516 PolarHBondContact O-N 3.3Å; K514-G516 VanDerWaalsContact C-N 3.28Å
517	G	97.4	Very high	96.8	Very high	5 Å²	5	50.8 Å²	50.8	5%	0.052	25%	0.25	C	C	.	.			trans	-79.4	170	178	0	0	0	0	0	114	W512 R515	W512-G517 WeakPolarHBondContact O-CA 3.16Å; W512-G517 PolarHBondContact O-N 2.94Å; R515-G517 VanDerWaalsContact C-N 3.34Å
518	Q	97.8	Very high	97.1	Very high	94 Å²	94	47.1 Å²	47.1	44%	0.439	23%	0.233	S	C	.	.			trans	-120.8	147	176.9	-63.1	-60.7	-47.2	0	0	111	W512 W520 Q521	W512-Q518 VanDerWaalsContact CD1-O 3.27Å; W512-Q518 PolarHBondContact NE1-O 3.24Å; Q518-W520 VanDerWaalsContact C-N 3.28Å; Q518-W520 HydrophobicContact CB-CG 4.4Å; Q518-W520 VanDerWaalsContact CB-NE1 3.28Å; Q518-W520 PolarHBondContact O-N 3.5Å; Q518-Q521 HydrophobicContact CB-CG 4.34Å; Q518-Q521 VanDerWaalsContact O-CB 3.31Å; Q518-Q521 WeakPolarHBondContact O-CB 3.43Å; Q518-Q521 PolarHBondContact O-N 3.49Å
519	P	97.7	Very high	97.3	Very high	22 Å²	22	48.1 Å²	48.1	14%	0.143	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-56.5	-36.6	-174.6	-24.3	31.5	0	0	0	114.6	I509 Q521 L522	I509-P519 HydrophobicContact CG1-CB 4.43Å; I509-P519 HydrophobicContact CG2-CB 4.2Å; I509-P519 HydrophobicContact CG2-CG 3.81Å; P519-Q521 PolarHBondContact O-N 3.29Å; P519-Q521 VanDerWaalsContact O-N 3.17Å; P519-L522 WeakPolarHBondContact O-CB 3.19Å; P519-L522 PolarHBondContact O-N 3.01Å; P519-L522 VanDerWaalsContact O-N 3.07Å
520	W	98.1	Very high	97.5	Very high	112 Å²	112	47.5 Å²	47.5	42%	0.424	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-63.2	-21.5	179.2	64.1	-97.7	0	0	0	113.4	L428 Q518 L522	L428-W520 HydrophobicContact CD2-CB 3.77Å; Q518-W520 VanDerWaalsContact C-N 3.28Å; Q518-W520 HydrophobicContact CB-CG 4.4Å; Q518-W520 VanDerWaalsContact CB-NE1 3.28Å; Q518-W520 PolarHBondContact O-N 3.5Å; W520-L522 PolarHBondContact O-N 2.88Å
521	Q	98.3	Very high	97.7	Very high	70 Å²	70	43.8 Å²	43.8	33%	0.327	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-77.8	-3.2	177.2	-60	173.9	-44.8	0	0	113.1	W512 Q518 P519 N532	W512-Q521 VanDerWaalsContact NE1-OE1 3.11Å; Q518-Q521 HydrophobicContact CB-CG 4.34Å; Q518-Q521 VanDerWaalsContact O-CB 3.31Å; Q518-Q521 WeakPolarHBondContact O-CB 3.43Å; Q518-Q521 PolarHBondContact O-N 3.49Å; P519-Q521 PolarHBondContact O-N 3.29Å; P519-Q521 VanDerWaalsContact O-N 3.17Å; Q521-N532 PolarHBondContact O-ND2 2.97Å
522	L	98.6	Very high	97.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-97.2	-0.2	177.5	-64.2	176	0	0	0	112.6	F505 I508 I509 W512 P519 W520 P531 N532 V534 A535 L538	F505-L522 HydrophobicContact CE1-CD1 4.45Å; F505-L522 HydrophobicContact CZ-CB 4.15Å; F505-L522 HydrophobicContact CZ-CD1 4.45Å; I508-L522 HydrophobicContact CG2-CD1 4.17Å; I509-L522 HydrophobicContact CG1-CD1 4.06Å; W512-L522 HydrophobicContact CB-CD1 3.91Å; W512-L522 HydrophobicContact CB-CD2 4.15Å; W512-L522 HydrophobicContact CB-CG 4.36Å; W512-L522 HydrophobicContact CD2-CD2 3.98Å; W512-L522 HydrophobicContact CG-CD1 4.08Å; W512-L522 HydrophobicContact CG-CD2 3.72Å; W512-L522 HydrophobicContact CG-CG 4Å; P519-L522 WeakPolarHBondContact O-CB 3.19Å; P519-L522 PolarHBondContact O-N 3.01Å; P519-L522 VanDerWaalsContact O-N 3.07Å; W520-L522 PolarHBondContact O-N 2.88Å; L522-P531 WeakPolarHBondContact O-CA 3.31Å; L522-N532 PolarHBondContact O-N 3.27Å; L522-N532 PolarHBondContact O-OD1 2.59Å; L522-V534 HydrophobicContact CD2-CB 4.5Å; L522-V534 HydrophobicContact CD2-CG1 3.88Å; L522-A535 HydrophobicContact CB-CB 3.96Å; L522-A535 HydrophobicContact CD2-CB 4.11Å; L522-A535 VanDerWaalsContact O-CB 3.26Å; L522-A535 WeakPolarHBondContact O-CB 3.17Å; L522-L538 HydrophobicContact CD2-CD1 4.08Å
523	I	98.7	Very high	97.9	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.026	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-112.7	143.4	-174.9	-53.1	162.9	0	0	0	108.8	F423 L424 L428 G528 H530	F423-I523 HydrophobicContact CD2-CD1 4.2Å; F423-I523 HydrophobicContact CE2-CD1 3.88Å; F423-I523 HydrophobicContact CE2-CG1 3.95Å; L424-I523 HydrophobicContact CD2-CD1 3.73Å; L424-I523 HydrophobicContact CD2-CG1 3.94Å; L424-I523 HydrophobicContact CD2-CG2 4.02Å; L428-I523 HydrophobicContact CD1-CB 4.21Å; L428-I523 HydrophobicContact CD1-CD1 3.67Å; L428-I523 HydrophobicContact CD1-CG2 3.77Å; L428-I523 HydrophobicContact CD2-CD1 4.09Å; L428-I523 HydrophobicContact CG-CD1 3.69Å; I523-G528 VanDerWaalsContact CG2-C 3.47Å; I523-H530 CarbonylContact C-O 3.58Å; I523-H530 WeakPolarHBondContact CA-O 3.29Å
524	E	98.4	Very high	98	Very high	3 Å²	3	38.3 Å²	38.3	1%	0.014	20%	0.196	C	C	.	.			trans	-58.3	122.1	173.3	-81.5	-61.2	151.7	0	0	110.6	H267 H269 V526 D527 G528 H530 N532	H267-E524 IonicContact CE1-OE1 2.77Å; H267-E524 PolarHBondContact CE1-OE1 2.89Å; H267-E524 IonicContact ND1-OE1 3.72Å; H269-E524 IonicContact CE1-OE2 3.5Å; H269-E524 IonicContact CG-OE1 2.66Å; H269-E524 IonicContact CG-OE2 3.95Å; H269-E524 VanDerWaalsContact ND1-CD 3.34Å; H269-E524 IonicContact ND1-OE1 3.55Å; H269-E524 PolarHBondContact ND1-OE1 3.11Å; H269-E524 IonicContact ND1-OE2 3.05Å; H269-E524 PolarHBondContact ND1-OE2 3.18Å; E524-V526 VanDerWaalsContact C-N 3.34Å; E524-V526 PolarHBondContact O-N 3.39Å; E524-D527 WeakPolarHBondContact CB-OD1 3.37Å; E524-G528 WeakPolarHBondContact O-CA 3.28Å; E524-G528 PolarHBondContact O-N 2.9Å; E524-H530 HydrophobicContact CB-CB 4.26Å; E524-H530 HydrophobicContact CG-CB 3.9Å; E524-H530 PolarHBondContact N-O 3.05Å; E524-N532 HydrophobicContact CG-CB 4.13Å; E524-N532 VanDerWaalsContact OE1-CA 3.23Å; E524-N532 WeakPolarHBondContact OE1-CA 3.48Å; E524-N532 VanDerWaalsContact OE1-CB 3.28Å; E524-N532 WeakPolarHBondContact OE1-CB 3.21Å
525	P	98.3	Very high	98	Very high	38 Å²	38	30.9 Å²	30.9	25%	0.247	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-28.4	-169.9	25.7	-34	0	0	0	113	P272 P434 Y444	P272-P525 HydrophobicContact CB-CG 4.13Å; P272-P525 HydrophobicContact CG-CG 3.86Å; P434-P525 WeakPolarHBondContact CD-O 3.47Å; P434-P525 HydrophobicContact CG-CB 4.12Å; Y444-P525 WeakPolarHBondContact CE1-O 3.37Å; Y444-P525 WeakPolarHBondContact OH-CA 3.5Å; Y444-P525 PolarHBondContact OH-O 2.78Å
526	V	97.8	Very high	98.1	Very high	10 Å²	10	26.8 Å²	26.8	6%	0.061	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-39.5	-176.6	175.5	0	0	0	0	112.5	I270 P272 L275 H433 P434 E524	I270-V526 HydrophobicContact CB-CB 3.92Å; I270-V526 HydrophobicContact CB-CG1 3.79Å; I270-V526 HydrophobicContact CB-CG2 4.25Å; I270-V526 HydrophobicContact CD1-CG1 4.08Å; I270-V526 HydrophobicContact CG2-CB 4.24Å; I270-V526 HydrophobicContact CG2-CG1 3.8Å; I270-V526 HydrophobicContact CG2-CG2 4.21Å; I270-V526 WeakPolarHBondContact O-CG2 3.35Å; P272-V526 HydrophobicContact CB-CG2 4.15Å; L275-V526 HydrophobicContact CD1-CB 4.44Å; L275-V526 HydrophobicContact CD1-CG1 3.58Å; L275-V526 HydrophobicContact CD1-CG2 4.01Å; H433-V526 PolarHBondContact NE2-O 3.4Å; P434-V526 HydrophobicContact CG-CG2 4.32Å; E524-V526 VanDerWaalsContact C-N 3.34Å; E524-V526 PolarHBondContact O-N 3.39Å
527	D	96.1	Very high	98.1	Very high	16 Å²	16	24 Å²	24	9%	0.086	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-22.3	178.6	62.2	51.5	0	0	0	113.5	F268 M463 E524 F529 H530	F268-D527 WeakPolarHBondContact CD1-OD2 3.45Å; M463-D527 WeakPolarHBondContact CE-O 3.46Å; E524-D527 WeakPolarHBondContact CB-OD1 3.37Å; D527-F529 PolarHBondContact O-N 3.06Å; D527-F529 WeakPolarHBondContact OD1-CA 3.49Å; D527-F529 WeakPolarHBondContact OD1-CB 3.42Å; D527-F529 PolarHBondContact OD1-N 3.39Å; D527-H530 VanDerWaalsContact CG-ND1 3.31Å; D527-H530 PolarHBondContact OD1-N 3.18Å; D527-H530 IonicContact OD1-ND1 2.73Å; D527-H530 IonicContact OD2-CE1 3.76Å; D527-H530 IonicContact OD2-CG 3.69Å; D527-H530 IonicContact OD2-ND1 2.72Å; D527-H530 PolarHBondContact OD2-ND1 3.15Å
528	G	98.2	Very high	98.2	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	63.4	25.8	-178.4	0	0	0	0	0	113.4	L428 F448 I523 E524	L428-G528 WeakPolarHBondContact CD1-O 3.4Å; F448-G528 WeakPolarHBondContact CZ-O 3.36Å; I523-G528 VanDerWaalsContact CG2-C 3.47Å; E524-G528 WeakPolarHBondContact O-CA 3.28Å; E524-G528 PolarHBondContact O-N 2.9Å
529	F	98.6	Very high	98.1	Very high	22 Å²	22	20.2 Å²	20.2	10%	0.096	10%	0.102	C	C	.	.	S	Bend	trans	-136	-55.8	-170.3	177.8	-117	0	0	0	112.9	C376 L424 P458 C459 W462 M463 D527	C376-F529 HydrophobicContact CB-CZ 4.35Å; L424-F529 HydrophobicContact CD1-CD2 3.62Å; L424-F529 HydrophobicContact CD1-CE2 3.99Å; L424-F529 WeakPolarHBondContact CD2-O 3.21Å; P458-F529 HydrophobicContact CB-CD1 4.13Å; P458-F529 HydrophobicContact CB-CE1 4.4Å; P458-F529 HydrophobicContact CG-CB 4.32Å; P458-F529 HydrophobicContact CG-CD1 4.16Å; P458-F529 HydrophobicContact CG-CG 4.22Å; C459-F529 HydrophobicContact CB-CD2 3.98Å; C459-F529 HydrophobicContact CB-CE2 3.43Å; C459-F529 VanDerWaalsContact CB-CE2 3.43Å; C459-F529 HydrophobicContact CB-CZ 3.85Å; W462-F529 HydrophobicContact CE3-CE2 4.36Å; M463-F529 HydrophobicContact CE-CB 4.07Å; M463-F529 HydrophobicContact CG-CD2 4.23Å; M463-F529 HydrophobicContact SD-CB 3.79Å; M463-F529 HydrophobicContact SD-CD2 3.64Å; M463-F529 HydrophobicContact SD-CG 3.87Å; D527-F529 PolarHBondContact O-N 3.06Å; D527-F529 WeakPolarHBondContact OD1-CA 3.49Å; D527-F529 WeakPolarHBondContact OD1-CB 3.42Å; D527-F529 PolarHBondContact OD1-N 3.39Å
530	H	98.6	Very high	98.1	Very high	12 Å²	12	19.3 Å²	19.3	6%	0.056	10%	0.096	C	C	.	.	S	Bend	trans	-75.1	149	-172.6	-62.2	106.5	0	0	0	111.7	S263 F268 I523 E524 D527 N532	S263-H530 WeakPolarHBondContact CB-NE2 3.41Å; S263-H530 PolarHBondContact OG-CD2 2.93Å; S263-H530 PolarHBondContact OG-NE2 3.09Å; F268-H530 AromaticContact CD1-CE1 3.71Å; F268-H530 AromaticContact CD1-ND1 3.6Å; I523-H530 CarbonylContact C-O 3.58Å; I523-H530 WeakPolarHBondContact CA-O 3.29Å; E524-H530 HydrophobicContact CB-CB 4.26Å; E524-H530 HydrophobicContact CG-CB 3.9Å; E524-H530 PolarHBondContact N-O 3.05Å; D527-H530 VanDerWaalsContact CG-ND1 3.31Å; D527-H530 PolarHBondContact OD1-N 3.18Å; D527-H530 IonicContact OD1-ND1 2.73Å; D527-H530 IonicContact OD2-CE1 3.76Å; D527-H530 IonicContact OD2-CG 3.69Å; D527-H530 IonicContact OD2-ND1 2.72Å; D527-H530 PolarHBondContact OD2-ND1 3.15Å; H530-N532 PolarHBondContact O-N 3.32Å
531	P	98.3	Very high	98.1	Very high	20 Å²	20	14.4 Å²	14.4	13%	0.13	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-63.7	132	164.9	28.3	-32.9	0	0	0	109.3	A264 F505 L522 A535	A264-P531 HydrophobicContact CB-CG 3.87Å; F505-P531 HydrophobicContact CE2-CB 4.34Å; L522-P531 WeakPolarHBondContact O-CA 3.31Å; P531-A535 HydrophobicContact CB-CB 3.72Å
532	N	98.4	Very high	98	Very high	24 Å²	24	13.9 Å²	13.9	13%	0.128	7%	0.073	C	C	.	.			trans	-78.8	-176.9	177.7	70.3	13.5	0	0	0	112.6	Q521 L522 E524 H530 V534 A535 S536	Q521-N532 PolarHBondContact O-ND2 2.97Å; L522-N532 PolarHBondContact O-N 3.27Å; L522-N532 PolarHBondContact O-OD1 2.59Å; E524-N532 HydrophobicContact CG-CB 4.13Å; E524-N532 VanDerWaalsContact OE1-CA 3.23Å; E524-N532 WeakPolarHBondContact OE1-CA 3.48Å; E524-N532 VanDerWaalsContact OE1-CB 3.28Å; E524-N532 WeakPolarHBondContact OE1-CB 3.21Å; H530-N532 PolarHBondContact O-N 3.32Å; N532-V534 VanDerWaalsContact C-N 3.31Å; N532-V534 PolarHBondContact O-N 3.43Å; N532-V534 PolarHBondContact OD1-N 2.91Å; N532-A535 PolarHBondContact O-N 2.92Å; N532-A535 PolarHBondContact OD1-N 3.11Å; N532-A535 VanDerWaalsContact OD1-N 3.09Å; N532-S536 WeakPolarHBondContact O-CB 3.18Å; N532-S536 PolarHBondContact O-N 3.35Å
533	E	98.6	Very high	97.8	Very high	14 Å²	14	14.3 Å²	14.3	7%	0.065	8%	0.076	C	C	.	.	H	α-helix	trans	-53	-45.9	-178.4	-163.2	-171.5	139.7	0	0	112.6	H267 S310 T311 S536 L537	H267-E533 PolarHBondContact CE1-N 3.42Å; S310-E533 WeakPolarHBondContact CA-OE1 3.44Å; S310-E533 WeakPolarHBondContact CB-OE1 3.34Å; S310-E533 PolarHBondContact OG-OE1 3.43Å; T311-E533 WeakPolarHBondContact CB-OE2 3.43Å; T311-E533 PolarHBondContact N-OE1 2.7Å; T311-E533 PolarHBondContact N-OE2 2.88Å; T311-E533 PolarHBondContact OG1-OE2 2.96Å; E533-S536 WeakPolarHBondContact O-CB 3.27Å; E533-S536 PolarHBondContact O-N 3.08Å; E533-L537 HydrophobicContact CG-CD1 4.13Å; E533-L537 WeakPolarHBondContact O-CB 3.3Å; E533-L537 WeakPolarHBondContact O-CG 3.27Å; E533-L537 PolarHBondContact O-N 2.8Å
534	V	98.4	Very high	97.8	Very high	17 Å²	17	15 Å²	15	10%	0.103	8%	0.078	C	C	.	.	H	α-helix	trans	-61.2	-49.9	179.3	174.3	0	0	0	0	110.6	S312 I314 W512 L522 N532 S536 L537 L538	S312-V534 VanDerWaalsContact CB-CG2 3.48Å; I314-V534 HydrophobicContact CD1-CB 4.47Å; I314-V534 HydrophobicContact CD1-CG1 4.17Å; W512-V534 HydrophobicContact CD2-CG1 4.48Å; W512-V534 HydrophobicContact CE3-CG1 4.04Å; W512-V534 HydrophobicContact CH2-CG1 4Å; W512-V534 HydrophobicContact CZ2-CG1 4.41Å; W512-V534 HydrophobicContact CZ3-CG1 3.79Å; L522-V534 HydrophobicContact CD2-CB 4.5Å; L522-V534 HydrophobicContact CD2-CG1 3.88Å; N532-V534 VanDerWaalsContact C-N 3.31Å; N532-V534 PolarHBondContact O-N 3.43Å; N532-V534 PolarHBondContact OD1-N 2.91Å; V534-S536 VanDerWaalsContact C-N 3.31Å; V534-S536 PolarHBondContact O-N 2.85Å; V534-L537 PolarHBondContact O-N 3.2Å; V534-L538 HydrophobicContact CG1-CD1 3.92Å; V534-L538 HydrophobicContact CG1-CG 4.38Å; V534-L538 WeakPolarHBondContact O-CB 3.41Å; V534-L538 VanDerWaalsContact O-CG 3.3Å; V534-L538 WeakPolarHBondContact O-CG 3.45Å; V534-L538 PolarHBondContact O-N 3.19Å
535	A	98.1	Very high	97.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.9	-40.5	178.6	0	0	0	0	0	111.9	F505 L522 P531 N532 L538 L539	F505-A535 HydrophobicContact CE2-CB 4.24Å; F505-A535 HydrophobicContact CZ-CB 4.28Å; L522-A535 HydrophobicContact CB-CB 3.96Å; L522-A535 HydrophobicContact CD2-CB 4.11Å; L522-A535 VanDerWaalsContact O-CB 3.26Å; L522-A535 WeakPolarHBondContact O-CB 3.17Å; P531-A535 HydrophobicContact CB-CB 3.72Å; N532-A535 PolarHBondContact O-N 2.92Å; N532-A535 PolarHBondContact OD1-N 3.11Å; N532-A535 VanDerWaalsContact OD1-N 3.09Å; A535-L538 PolarHBondContact O-N 3.03Å; A535-L539 WeakPolarHBondContact O-CB 3.24Å; A535-L539 WeakPolarHBondContact O-CD1 3.43Å; A535-L539 VanDerWaalsContact O-CG 3.25Å; A535-L539 WeakPolarHBondContact O-CG 3.41Å; A535-L539 PolarHBondContact O-N 2.9Å
536	S	98.1	Very high	97.6	Very high	14 Å²	14	19.9 Å²	19.9	10%	0.098	10%	0.096	C	C	.	.	H	α-helix	trans	-61.1	-44.2	177.1	-163.1	0	0	0	0	112	G303 N532 E533 V534 L539 A540	G303-S536 WeakPolarHBondContact CA-OG 3.38Å; G303-S536 PolarHBondContact N-OG 3.47Å; N532-S536 WeakPolarHBondContact O-CB 3.18Å; N532-S536 PolarHBondContact O-N 3.35Å; E533-S536 WeakPolarHBondContact O-CB 3.27Å; E533-S536 PolarHBondContact O-N 3.08Å; V534-S536 VanDerWaalsContact C-N 3.31Å; V534-S536 PolarHBondContact O-N 2.85Å; S536-L539 PolarHBondContact O-N 2.96Å; S536-A540 WeakPolarHBondContact O-CB 3.39Å; S536-A540 PolarHBondContact O-N 2.85Å
537	L	98.5	Very high	97.6	Very high	7 Å²	7	19.6 Å²	19.6	4%	0.037	9%	0.093	C	C	.	.	H	α-helix	trans	-71.4	-37.8	177.9	-72.5	170	0	0	0	113.1	I314 E316 E533 V534 A540 D541	I314-L537 HydrophobicContact CD1-CB 3.82Å; I314-L537 HydrophobicContact CD1-CD1 3.87Å; I314-L537 HydrophobicContact CG1-CD1 4.02Å; E316-L537 HydrophobicContact CB-CB 4.06Å; E533-L537 HydrophobicContact CG-CD1 4.13Å; E533-L537 WeakPolarHBondContact O-CB 3.3Å; E533-L537 WeakPolarHBondContact O-CG 3.27Å; E533-L537 PolarHBondContact O-N 2.8Å; V534-L537 PolarHBondContact O-N 3.2Å; L537-A540 WeakPolarHBondContact O-CB 2.88Å; L537-A540 PolarHBondContact O-N 2.86Å; L537-D541 PolarHBondContact O-N 2.65Å
538	L	98	Very high	97.7	Very high	3 Å²	3	23 Å²	23	2%	0.016	11%	0.109	C	C	.	.	H	α-helix	trans	-65.3	-40.7	173.2	-69.4	173.9	0	0	0	111.3	E316 I508 E511 W512 L522 V534 A535 A540 D541 R542	E316-L538 HydrophobicContact CG-CD2 4.23Å; I508-L538 HydrophobicContact CD1-CB 4.15Å; I508-L538 HydrophobicContact CG2-CB 3.78Å; I508-L538 HydrophobicContact CG2-CD1 3.92Å; E511-L538 HydrophobicContact CG-CD2 4.43Å; W512-L538 HydrophobicContact CB-CD1 4.43Å; W512-L538 HydrophobicContact CE3-CD1 4.05Å; L522-L538 HydrophobicContact CD2-CD1 4.08Å; V534-L538 HydrophobicContact CG1-CD1 3.92Å; V534-L538 HydrophobicContact CG1-CG 4.38Å; V534-L538 WeakPolarHBondContact O-CB 3.41Å; V534-L538 VanDerWaalsContact O-CG 3.3Å; V534-L538 WeakPolarHBondContact O-CG 3.45Å; V534-L538 PolarHBondContact O-N 3.19Å; A535-L538 PolarHBondContact O-N 3.03Å; L538-A540 VanDerWaalsContact C-N 3.35Å; L538-D541 PolarHBondContact O-N 3.45Å; L538-R542 WeakPolarHBondContact O-CG 3.35Å; L538-R542 PolarHBondContact O-N 2.81Å
539	L	97.1	Very high	97.7	Very high	15 Å²	15	27.8 Å²	27.8	8%	0.079	14%	0.142	C	C	.	.	H	α-helix	trans	-59.5	-46.9	172.1	-77.8	164.7	0	0	0	110.7	F503 F505 I508 A535 S536 D541 R542 V543	F503-L539 HydrophobicContact CE1-CD2 4.37Å; F503-L539 HydrophobicContact CE2-CD1 4.06Å; F503-L539 HydrophobicContact CE2-CD2 4.27Å; F503-L539 HydrophobicContact CZ-CD1 3.68Å; F503-L539 HydrophobicContact CZ-CD2 4.07Å; F505-L539 HydrophobicContact CD2-CD1 4.4Å; F505-L539 HydrophobicContact CD2-CD2 4.48Å; F505-L539 HydrophobicContact CE2-CD1 4.34Å; I508-L539 HydrophobicContact CD1-CD2 4.01Å; I508-L539 HydrophobicContact CD1-CG 4.2Å; I508-L539 HydrophobicContact CG1-CD2 3.64Å; I508-L539 HydrophobicContact CG1-CG 3.98Å; A535-L539 WeakPolarHBondContact O-CB 3.24Å; A535-L539 WeakPolarHBondContact O-CD1 3.43Å; A535-L539 VanDerWaalsContact O-CG 3.25Å; A535-L539 WeakPolarHBondContact O-CG 3.41Å; A535-L539 PolarHBondContact O-N 2.9Å; S536-L539 PolarHBondContact O-N 2.96Å; L539-D541 VanDerWaalsContact C-N 3.31Å; L539-D541 PolarHBondContact O-N 2.97Å; L539-R542 PolarHBondContact O-N 2.7Å; L539-R542 VanDerWaalsContact O-N 3.17Å; L539-V543 VanDerWaalsContact O-CG2 3.29Å; L539-V543 WeakPolarHBondContact O-CG2 3.3Å; L539-V543 PolarHBondContact O-N 3.43Å
540	A	97.8	Very high	97.6	Very high	4 Å²	4	31.5 Å²	31.5	3%	0.033	16%	0.16	C	C	.	.	H	α-helix	trans	-58.4	-41.1	176.8	0	0	0	0	0	112.9	G303 I319 S536 L537 L538 V543 W544	G303-A540 WeakPolarHBondContact O-CB 3.46Å; I319-A540 HydrophobicContact CG1-CB 3.99Å; S536-A540 WeakPolarHBondContact O-CB 3.39Å; S536-A540 PolarHBondContact O-N 2.85Å; L537-A540 WeakPolarHBondContact O-CB 2.88Å; L537-A540 PolarHBondContact O-N 2.86Å; L538-A540 VanDerWaalsContact C-N 3.35Å; A540-V543 PolarHBondContact O-N 2.73Å; A540-W544 VanDerWaalsContact O-CB 3.29Å; A540-W544 WeakPolarHBondContact O-CB 3.23Å; A540-W544 PolarHBondContact O-N 2.8Å
541	D	97.4	Very high	97.6	Very high	8 Å²	8	33.5 Å²	33.5	4%	0.043	17%	0.167	C	C	.	.	H	α-helix	trans	-62.8	-43.1	175.1	-176.1	74	0	0	0	112.3	E316 R322 L537 L538 L539 W544 K545	E316-D541 HydrophobicContact CB-CB 4.49Å; E316-D541 HydrophobicContact CG-CB 3.68Å; R322-D541 IonicContact CZ-OD1 3.62Å; R322-D541 VanDerWaalsContact CZ-OD1 3.23Å; R322-D541 IonicContact NH1-OD1 2.75Å; R322-D541 PolarHBondContact NH1-OD1 2.95Å; R322-D541 IonicContact NH2-OD1 3.82Å; R322-D541 PolarHBondContact NH2-OD1 2.75Å; L537-D541 PolarHBondContact O-N 2.65Å; L538-D541 PolarHBondContact O-N 3.45Å; L539-D541 VanDerWaalsContact C-N 3.31Å; L539-D541 PolarHBondContact O-N 2.97Å; D541-W544 PolarHBondContact O-N 3.09Å; D541-K545 WeakPolarHBondContact O-CB 3.29Å; D541-K545 WeakPolarHBondContact O-CG 3.31Å; D541-K545 PolarHBondContact O-N 3.17Å; D541-K545 IonicContact OD1-NZ 3.77Å; D541-K545 WeakPolarHBondContact OD2-CD 3.48Å; D541-K545 WeakPolarHBondContact OD2-CE 3.39Å; D541-K545 IonicContact OD2-NZ 2.68Å; D541-K545 PolarHBondContact OD2-NZ 2.91Å
542	R	95.4	Very high	97.6	Very high	60 Å²	60	35.6 Å²	35.6	23%	0.226	18%	0.18	C	C	.	.	H	α-helix	trans	-65.6	-44.3	176	-68.2	-52.4	-178	-170.9	-4.8	112.6	I508 E511 L538 L539 W544 K545 K546	I508-R542 HydrophobicContact CD1-CB 4.22Å; I508-R542 HydrophobicContact CD1-CG 3.47Å; I508-R542 VanDerWaalsContact CD1-CG 3.47Å; E511-R542 IonicContact OE2-CZ 3.23Å; E511-R542 IonicContact OE2-NH2 2.86Å; E511-R542 PolarHBondContact OE2-NH2 2.81Å; L538-R542 WeakPolarHBondContact O-CG 3.35Å; L538-R542 PolarHBondContact O-N 2.81Å; L539-R542 PolarHBondContact O-N 2.7Å; L539-R542 VanDerWaalsContact O-N 3.17Å; R542-W544 VanDerWaalsContact C-N 3.32Å; R542-W544 PolarHBondContact O-N 3.36Å; R542-K545 PolarHBondContact O-N 3.23Å; R542-K546 VanDerWaalsContact O-CB 3.3Å; R542-K546 WeakPolarHBondContact O-CB 3.03Å; R542-K546 PolarHBondContact O-N 2.87Å
543	V	95.8	Very high	97.5	Very high	8 Å²	8	39 Å²	39	5%	0.048	20%	0.195	C	C	.	.	H	α-helix	trans	-56	-50.8	173.7	172.7	0	0	0	0	109.8	I319 Y416 M501 L539 A540 K545 K546 I547	I319-V543 HydrophobicContact CD1-CB 4.24Å; I319-V543 HydrophobicContact CD1-CG1 3.79Å; Y416-V543 HydrophobicContact CE2-CG2 3.59Å; Y416-V543 WeakPolarHBondContact OH-CG2 3.4Å; M501-V543 HydrophobicContact CE-CG1 4.24Å; M501-V543 HydrophobicContact SD-CB 4.16Å; M501-V543 HydrophobicContact SD-CG1 4.16Å; M501-V543 HydrophobicContact SD-CG2 3.83Å; L539-V543 VanDerWaalsContact O-CG2 3.29Å; L539-V543 WeakPolarHBondContact O-CG2 3.3Å; L539-V543 PolarHBondContact O-N 3.43Å; A540-V543 PolarHBondContact O-N 2.73Å; V543-K545 PolarHBondContact O-N 3.16Å; V543-K546 PolarHBondContact O-N 3.43Å; V543-I547 HydrophobicContact CG1-CD1 3.66Å; V543-I547 HydrophobicContact CG1-CG1 4.32Å; V543-I547 VanDerWaalsContact O-CG1 3.28Å; V543-I547 WeakPolarHBondContact O-CG1 3.34Å; V543-I547 PolarHBondContact O-N 2.86Å
544	W	98.2	Very high	97.5	Very high	21 Å²	21	38.3 Å²	38.3	8%	0.08	19%	0.192	C	C	.	.	H	α-helix	trans	-57.4	-51.8	179.9	-178	-88.5	0	0	0	112.2	I319 R322 L323 R326 A540 D541 R542 K546 I547 Q548 L555	I319-W544 HydrophobicContact CG2-CE3 4.44Å; R322-W544 HydrophobicContact CB-CD2 3.85Å; R322-W544 HydrophobicContact CB-CE3 3.61Å; R322-W544 HydrophobicContact CB-CH2 3.65Å; R322-W544 HydrophobicContact CB-CZ2 3.89Å; R322-W544 HydrophobicContact CB-CZ3 3.5Å; R322-W544 HydrophobicContact CG-CD2 4.36Å; R322-W544 HydrophobicContact CG-CE3 4.45Å; L323-W544 HydrophobicContact CB-CZ3 4.4Å; R326-W544 HydrophobicContact CB-CH2 4.42Å; A540-W544 VanDerWaalsContact O-CB 3.29Å; A540-W544 WeakPolarHBondContact O-CB 3.23Å; A540-W544 PolarHBondContact O-N 2.8Å; D541-W544 PolarHBondContact O-N 3.09Å; R542-W544 VanDerWaalsContact C-N 3.32Å; R542-W544 PolarHBondContact O-N 3.36Å; W544-K546 VanDerWaalsContact C-N 3.33Å; W544-K546 PolarHBondContact O-N 3.04Å; W544-I547 PolarHBondContact O-N 3.19Å; W544-Q548 WeakPolarHBondContact O-CB 3.45Å; W544-Q548 PolarHBondContact O-N 3.08Å; W544-L555 HydrophobicContact CD2-CD1 4.1Å; W544-L555 HydrophobicContact CE3-CD1 4.29Å; W544-L555 HydrophobicContact CE3-CD2 3.88Å; W544-L555 HydrophobicContact CH2-CD1 4.09Å; W544-L555 HydrophobicContact CH2-CD2 4.03Å; W544-L555 HydrophobicContact CH2-CG 4.42Å; W544-L555 HydrophobicContact CZ2-CD1 3.87Å; W544-L555 HydrophobicContact CZ3-CD1 4.29Å; W544-L555 HydrophobicContact CZ3-CD2 3.63Å; W544-L555 HydrophobicContact CZ3-CG 4.46Å
545	K	97.1	Very high	97.5	Very high	93 Å²	93	37.7 Å²	37.7	40%	0.404	19%	0.189	S	C	.	.	H	α-helix	trans	-60.8	-40.6	179.4	-75.1	173.1	177.5	163.4	0	112	D541 R542 V543 Q548 S549	D541-K545 WeakPolarHBondContact O-CB 3.29Å; D541-K545 WeakPolarHBondContact O-CG 3.31Å; D541-K545 PolarHBondContact O-N 3.17Å; D541-K545 IonicContact OD1-NZ 3.77Å; D541-K545 WeakPolarHBondContact OD2-CD 3.48Å; D541-K545 WeakPolarHBondContact OD2-CE 3.39Å; D541-K545 IonicContact OD2-NZ 2.68Å; D541-K545 PolarHBondContact OD2-NZ 2.91Å; R542-K545 PolarHBondContact O-N 3.23Å; V543-K545 PolarHBondContact O-N 3.16Å; K545-Q548 PolarHBondContact O-N 3.39Å; K545-S549 WeakPolarHBondContact O-CB 3.28Å; K545-S549 PolarHBondContact O-N 3.44Å
546	K	96.1	Very high	97.5	Very high	50 Å²	50	38.1 Å²	38.1	22%	0.217	19%	0.193	C	C	.	.	H	α-helix	trans	-67.5	-44.7	178.6	-171.4	163.1	176.6	173.5	0	111.8	M501 R542 V543 W544 S549 Q550	M501-K546 HydrophobicContact CE-CB 3.98Å; M501-K546 HydrophobicContact CE-CD 4.04Å; M501-K546 HydrophobicContact CE-CG 3.94Å; M501-K546 HydrophobicContact CG-CD 3.91Å; M501-K546 HydrophobicContact SD-CB 4.29Å; M501-K546 HydrophobicContact SD-CD 3.87Å; M501-K546 HydrophobicContact SD-CG 4.35Å; R542-K546 VanDerWaalsContact O-CB 3.3Å; R542-K546 WeakPolarHBondContact O-CB 3.03Å; R542-K546 PolarHBondContact O-N 2.87Å; V543-K546 PolarHBondContact O-N 3.43Å; W544-K546 VanDerWaalsContact C-N 3.33Å; W544-K546 PolarHBondContact O-N 3.04Å; K546-S549 PolarHBondContact O-N 2.92Å; K546-Q550 HydrophobicContact CG-CG 4.46Å; K546-Q550 WeakPolarHBondContact O-CB 3.38Å; K546-Q550 WeakPolarHBondContact O-CG 3.19Å; K546-Q550 PolarHBondContact O-N 3.47Å
547	I	97.8	Very high	97.5	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.015	22%	0.224	C	C	.	.	H	α-helix	trans	-60.1	-48.4	173.6	-64.5	169.2	0	0	0	109.9	I414 M501 V543 W544 S549 Q550 W551 I554 L555	I414-I547 HydrophobicContact CD1-CD1 3.48Å; I414-I547 VanDerWaalsContact CD1-CD1 3.48Å; I414-I547 HydrophobicContact CD1-CG1 4.03Å; M501-I547 HydrophobicContact CE-CG1 3.83Å; V543-I547 HydrophobicContact CG1-CD1 3.66Å; V543-I547 HydrophobicContact CG1-CG1 4.32Å; V543-I547 VanDerWaalsContact O-CG1 3.28Å; V543-I547 WeakPolarHBondContact O-CG1 3.34Å; V543-I547 PolarHBondContact O-N 2.86Å; W544-I547 PolarHBondContact O-N 3.19Å; I547-S549 PolarHBondContact O-N 3.43Å; I547-Q550 PolarHBondContact O-N 3.02Å; I547-W551 CarbonylContact O-C 3.58Å; I547-W551 WeakPolarHBondContact O-CA 3.12Å; I547-W551 PolarHBondContact O-N 3.11Å; I547-I554 HydrophobicContact CG2-CB 3.62Å; I547-I554 HydrophobicContact CG2-CD1 4.14Å; I547-I554 HydrophobicContact CG2-CG1 4.35Å; I547-I554 HydrophobicContact CG2-CG2 3.87Å; I547-L555 HydrophobicContact CB-CD1 4.42Å; I547-L555 HydrophobicContact CB-CD2 4.37Å; I547-L555 HydrophobicContact CB-CG 4.41Å; I547-L555 HydrophobicContact CD1-CD2 4.5Å; I547-L555 HydrophobicContact CG2-CD1 4.06Å; I547-L555 HydrophobicContact CG2-CD2 3.74Å; I547-L555 HydrophobicContact CG2-CG 3.6Å
548	Q	97.9	Very high	97.5	Very high	89 Å²	89	52 Å²	52	42%	0.416	25%	0.253	S	S	.	.	H	α-helix	trans	-59.3	-37.2	-178.8	-172.3	171.2	18.5	0	0	112.3	W544 K545 L555	W544-Q548 WeakPolarHBondContact O-CB 3.45Å; W544-Q548 PolarHBondContact O-N 3.08Å; K545-Q548 PolarHBondContact O-N 3.39Å; Q548-L555 HydrophobicContact CB-CD1 3.84Å; Q548-L555 HydrophobicContact CG-CD1 4.42Å
549	S	97.6	Very high	97.5	Very high	100 Å²	100	52.1 Å²	52.1	70%	0.699	25%	0.254	S	S	*	.	H	α-helix	trans	-79.4	-38	179.7	-178.7	0	0	0	0	113.9	K545 K546 I547	K545-S549 WeakPolarHBondContact O-CB 3.28Å; K545-S549 PolarHBondContact O-N 3.44Å; K546-S549 PolarHBondContact O-N 2.92Å; I547-S549 PolarHBondContact O-N 3.43Å
550	Q	97.4	Very high	97.6	Very high	100 Å²	100	56.3 Å²	56.3	47%	0.467	28%	0.282	S	S	.	.	H	α-helix	trans	-101.6	-36.3	-170	-61.9	-172.9	1.2	0	0	112.8	K546 I547	K546-Q550 HydrophobicContact CG-CG 4.46Å; K546-Q550 WeakPolarHBondContact O-CB 3.38Å; K546-Q550 WeakPolarHBondContact O-CG 3.19Å; K546-Q550 PolarHBondContact O-N 3.47Å; I547-Q550 PolarHBondContact O-N 3.02Å
551	W	98	Very high	97.7	Very high	54 Å²	54	59.6 Å²	59.6	21%	0.205	30%	0.296	C	S	.	.			trans	-139	58.6	-174.2	-49.1	-58.5	0	0	0	111.2	F499 Y500 M501 I547 Q553 I554	F499-W551 HydrophobicContact CB-CZ3 4.4Å; F499-W551 AromaticContact CD1-CD1 3.84Å; F499-W551 AromaticContact CD1-CD2 3.6Å; F499-W551 HydrophobicContact CD1-CD2 3.6Å; F499-W551 AromaticContact CD1-CE2 3.63Å; F499-W551 HydrophobicContact CD1-CE3 4.17Å; F499-W551 AromaticContact CD1-CG 3.76Å; F499-W551 HydrophobicContact CD1-CG 3.76Å; F499-W551 HydrophobicContact CD1-CZ2 4.21Å; F499-W551 AromaticContact CD1-NE1 3.75Å; F499-W551 HydrophobicContact CE1-CB 4.19Å; F499-W551 AromaticContact CE1-CD1 3.58Å; F499-W551 HydrophobicContact CE1-CD2 4.04Å; F499-W551 AromaticContact CE1-CG 3.65Å; F499-W551 HydrophobicContact CE1-CG 3.65Å; F499-W551 AromaticContact CE1-NE1 3.9Å; F499-W551 HydrophobicContact CG-CD2 4.35Å; F499-W551 HydrophobicContact CG-CE3 4.49Å; Y500-W551 WeakPolarHBondContact O-CH2 3.42Å; M501-W551 HydrophobicContact CE-CZ3 3.95Å; I547-W551 CarbonylContact O-C 3.58Å; I547-W551 WeakPolarHBondContact O-CA 3.12Å; I547-W551 PolarHBondContact O-N 3.11Å; W551-Q553 VanDerWaalsContact CA-OE1 3.3Å; W551-Q553 PolarHBondContact O-N 2.75Å; W551-I554 HydrophobicContact CB-CD1 3.5Å; W551-I554 HydrophobicContact CB-CG1 3.83Å; W551-I554 HydrophobicContact CD2-CD1 4.39Å; W551-I554 HydrophobicContact CE3-CD1 4.24Å; W551-I554 HydrophobicContact CG-CD1 4.14Å; W551-I554 WeakPolarHBondContact O-CB 3.23Å; W551-I554 WeakPolarHBondContact O-CG1 3.38Å; W551-I554 PolarHBondContact O-N 2.92Å
552	P	97.8	Very high	97.7	Very high	63 Å²	63	60 Å²	60	41%	0.409	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-56.6	-26.1	-175	22.5	-34	0	0	0	113.4	I554 L555	P552-I554 PolarHBondContact O-N 3.41Å; P552-L555 PolarHBondContact O-N 3.43Å; P552-L555 VanDerWaalsContact O-N 3.17Å
553	Q	96.9	Very high	97.9	Very high	95 Å²	95	60.9 Å²	60.9	44%	0.444	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-58.4	-26.7	175.2	70.2	-79.3	6.8	0	0	113.6	R255 W551 L555 G556	R255-Q553 PolarHBondContact NH1-O 3.3Å; W551-Q553 VanDerWaalsContact CA-OE1 3.3Å; W551-Q553 PolarHBondContact O-N 2.75Å; Q553-L555 VanDerWaalsContact C-N 3.3Å; Q553-L555 PolarHBondContact O-N 3.49Å; Q553-G556 PolarHBondContact O-N 3.01Å
554	I	98.3	Very high	98	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-65	-36.1	178.9	-63.1	179.8	0	0	0	111	R255 I365 H412 I414 F499 I547 W551 P552	R255-I554 VanDerWaalsContact CD-O 3.3Å; R255-I554 WeakPolarHBondContact CD-O 3.28Å; R255-I554 VanDerWaalsContact NH1-C 3.32Å; R255-I554 PolarHBondContact NH1-O 3.01Å; I365-I554 HydrophobicContact CD1-CG2 3.89Å; I365-I554 VanDerWaalsContact CD1-O 3.28Å; I365-I554 WeakPolarHBondContact CD1-O 3.43Å; I365-I554 HydrophobicContact CG1-CG2 3.92Å; I365-I554 HydrophobicContact CG2-CG2 4.03Å; H412-I554 HydrophobicContact CB-CG1 4.23Å; H412-I554 HydrophobicContact CB-CG2 4.05Å; I414-I554 HydrophobicContact CD1-CD1 4.34Å; I414-I554 HydrophobicContact CD1-CG2 4.47Å; F499-I554 HydrophobicContact CD1-CD1 4.17Å; F499-I554 HydrophobicContact CD2-CD1 3.52Å; F499-I554 HydrophobicContact CD2-CG1 4.44Å; F499-I554 HydrophobicContact CE1-CD1 4.07Å; F499-I554 HydrophobicContact CE2-CD1 3.41Å; F499-I554 VanDerWaalsContact CE2-CD1 3.41Å; F499-I554 HydrophobicContact CE2-CG1 3.86Å; F499-I554 HydrophobicContact CG-CD1 3.91Å; F499-I554 HydrophobicContact CZ-CD1 3.7Å; F499-I554 HydrophobicContact CZ-CG1 4Å; I547-I554 HydrophobicContact CG2-CB 3.62Å; I547-I554 HydrophobicContact CG2-CD1 4.14Å; I547-I554 HydrophobicContact CG2-CG1 4.35Å; I547-I554 HydrophobicContact CG2-CG2 3.87Å; W551-I554 HydrophobicContact CB-CD1 3.5Å; W551-I554 HydrophobicContact CB-CG1 3.83Å; W551-I554 HydrophobicContact CD2-CD1 4.39Å; W551-I554 HydrophobicContact CE3-CD1 4.24Å; W551-I554 HydrophobicContact CG-CD1 4.14Å; W551-I554 WeakPolarHBondContact O-CB 3.23Å; W551-I554 WeakPolarHBondContact O-CG1 3.38Å; W551-I554 PolarHBondContact O-N 2.92Å; P552-I554 PolarHBondContact O-N 3.41Å
555	L	98.5	Very high	98.1	Very high	5 Å²	5	63.4 Å²	63.4	3%	0.026	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-86.9	-11.2	-177.2	-55.5	179.1	0	0	0	113.3	R326 I365 W544 I547 Q548 P552 Q553	R326-L555 WeakPolarHBondContact CD-O 3.42Å; R326-L555 PolarHBondContact NE-O 2.98Å; I365-L555 HydrophobicContact CD1-CD2 4.36Å; W544-L555 HydrophobicContact CD2-CD1 4.1Å; W544-L555 HydrophobicContact CE3-CD1 4.29Å; W544-L555 HydrophobicContact CE3-CD2 3.88Å; W544-L555 HydrophobicContact CH2-CD1 4.09Å; W544-L555 HydrophobicContact CH2-CD2 4.03Å; W544-L555 HydrophobicContact CH2-CG 4.42Å; W544-L555 HydrophobicContact CZ2-CD1 3.87Å; W544-L555 HydrophobicContact CZ3-CD1 4.29Å; W544-L555 HydrophobicContact CZ3-CD2 3.63Å; W544-L555 HydrophobicContact CZ3-CG 4.46Å; I547-L555 HydrophobicContact CB-CD1 4.42Å; I547-L555 HydrophobicContact CB-CD2 4.37Å; I547-L555 HydrophobicContact CB-CG 4.41Å; I547-L555 HydrophobicContact CD1-CD2 4.5Å; I547-L555 HydrophobicContact CG2-CD1 4.06Å; I547-L555 HydrophobicContact CG2-CD2 3.74Å; I547-L555 HydrophobicContact CG2-CG 3.6Å; Q548-L555 HydrophobicContact CB-CD1 3.84Å; Q548-L555 HydrophobicContact CG-CD1 4.42Å; P552-L555 PolarHBondContact O-N 3.43Å; P552-L555 VanDerWaalsContact O-N 3.17Å; Q553-L555 VanDerWaalsContact C-N 3.3Å; Q553-L555 PolarHBondContact O-N 3.49Å
556	G	97.6	Very high	98.1	Very high	9 Å²	9	63.8 Å²	63.8	9%	0.093	33%	0.329	C	S	.	.			trans	68.2	-173.4	-171.2	0	0	0	0	0	113.2	R326 Q553	R326-G556 PolarHBondContact NE-O 2.72Å; R326-G556 PolarHBondContact NH2-O 3.2Å; Q553-G556 PolarHBondContact O-N 3.01Å
557	K	97.9	Very high	98.2	Very high	172 Å²	172	69.3 Å²	69.3	75%	0.748	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-87.3	159.6	175.5	-66.7	-176.4	-179.2	179	0	110.4
558	E	98.8	Very high	98.3	Very high	139 Å²	139	72.2 Å²	72.2	65%	0.65	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-68.1	134.5	165.5	-173.9	168.6	-171	0	0	109.4	R326 P560	R326-E558 HydrophobicContact CG-CB 4.41Å; R326-E558 WeakPolarHBondContact O-CA 3.41Å; E558-P560 WeakPolarHBondContact O-CD 3.33Å
559	N	98.8	Very high	98.3	Very high	6 Å²	6	69.8 Å²	69.8	3%	0.032	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-79.3	117.6	179.7	-176.3	-10.2	0	0	0	109.5	F248 R326 N327 C329 F561 N562	F248-N559 PolarHBondContact O-ND2 3.41Å; F248-N559 PolarHBondContact O-OD1 3.18Å; R326-N559 PolarHBondContact O-N 3.26Å; N327-N559 HydrophobicContact CB-CB 3.88Å; N327-N559 WeakPolarHBondContact OD1-CB 3.35Å; N327-N559 PolarHBondContact OD1-ND2 3.01Å; C329-N559 PolarHBondContact SG-ND2 3.43Å; C329-N559 VanDerWaalsContact SG-ND2 3.42Å; N559-F561 PolarHBondContact O-N 2.95Å; N559-F561 VanDerWaalsContact O-N 3.09Å; N559-F561 WeakPolarHBondContact OD1-CB 3.45Å; N559-F561 WeakPolarHBondContact OD1-CD2 3.29Å; N559-F561 PolarHBondContact OD1-N 2.96Å; N559-N562 VanDerWaalsContact O-CG 3.31Å; N559-N562 PolarHBondContact O-N 3.42Å; N559-N562 PolarHBondContact O-ND2 3.34Å
560	P	98.8	Very high	98.4	Very high	104 Å²	104	66.9 Å²	66.9	68%	0.675	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-13.5	-179.2	28.9	-36.7	0	0	0	113.5	E558	E558-P560 WeakPolarHBondContact O-CD 3.33Å
561	F	98.8	Very high	98.4	Very high	73 Å²	73	67.3 Å²	67.3	32%	0.32	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	3.6	-178.1	-58.4	-64.7	0	0	0	114.1	K247 F248 N559 S563 Q564 I565	K247-F561 WeakPolarHBondContact O-CE2 3.37Å; F248-F561 HydrophobicContact CB-CB 4.11Å; F248-F561 HydrophobicContact CD1-CB 3.81Å; F248-F561 HydrophobicContact CD1-CD1 4.11Å; F248-F561 AromaticContact CD1-CG 3.98Å; F248-F561 HydrophobicContact CD1-CG 3.98Å; F248-F561 HydrophobicContact CG-CB 4.25Å; N559-F561 PolarHBondContact O-N 2.95Å; N559-F561 VanDerWaalsContact O-N 3.09Å; N559-F561 WeakPolarHBondContact OD1-CB 3.45Å; N559-F561 WeakPolarHBondContact OD1-CD2 3.29Å; N559-F561 PolarHBondContact OD1-N 2.96Å; F561-S563 VanDerWaalsContact C-N 3.31Å; F561-S563 PolarHBondContact O-N 3.24Å; F561-Q564 PolarHBondContact O-N 2.64Å; F561-I565 WeakPolarHBondContact O-CG1 3.38Å; F561-I565 PolarHBondContact O-N 3.21Å
562	N	98.8	Very high	98.4	Very high	16 Å²	16	64.9 Å²	64.9	9%	0.086	34%	0.344	C	S	.	.	H	α-helix	trans	-51.6	-46.2	-178.8	-77.9	-22.1	0	0	0	113	K325 R326 H328 N559 Q564 I565 E566	K325-N562 PolarHBondContact O-ND2 2.92Å; R326-N562 PolarHBondContact O-ND2 2.96Å; R326-N562 VanDerWaalsContact O-ND2 3.09Å; H328-N562 PolarHBondContact CD2-O 2.65Å; H328-N562 PolarHBondContact N-OD1 3.11Å; N559-N562 VanDerWaalsContact O-CG 3.31Å; N559-N562 PolarHBondContact O-N 3.42Å; N559-N562 PolarHBondContact O-ND2 3.34Å; N562-Q564 VanDerWaalsContact C-N 3.31Å; N562-Q564 PolarHBondContact O-N 2.9Å; N562-I565 WeakPolarHBondContact O-CB 3.38Å; N562-I565 PolarHBondContact O-N 3.03Å; N562-E566 PolarHBondContact O-N 2.86Å
563	S	98.7	Very high	98.4	Very high	79 Å²	79	64.5 Å²	64.5	55%	0.552	35%	0.351	S	S	*	.	H	α-helix	trans	-64.9	-34.1	179.4	57.6	0	0	0	0	113.1	F561 E566 E567	F561-S563 VanDerWaalsContact C-N 3.31Å; F561-S563 PolarHBondContact O-N 3.24Å; S563-E566 PolarHBondContact O-N 3.04Å; S563-E567 WeakPolarHBondContact O-CB 3.42Å; S563-E567 PolarHBondContact O-N 2.98Å
564	Q	98.7	Very high	98.5	Very high	81 Å²	81	60.7 Å²	60.7	38%	0.379	34%	0.337	S	S	.	.	H	α-helix	trans	-73.4	-35	176.5	-65.8	-176.9	-28	0	0	111.6	F248 F561 N562 E567 V568	F248-Q564 HydrophobicContact CE1-CB 3.87Å; F248-Q564 HydrophobicContact CZ-CB 3.91Å; F561-Q564 PolarHBondContact O-N 2.64Å; N562-Q564 VanDerWaalsContact C-N 3.31Å; N562-Q564 PolarHBondContact O-N 2.9Å; Q564-E567 PolarHBondContact O-N 3.32Å; Q564-V568 VanDerWaalsContact O-CG2 3.32Å; Q564-V568 WeakPolarHBondContact O-CG2 3.48Å; Q564-V568 PolarHBondContact O-N 3.1Å
565	I	98.9	Very high	98.5	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-60.7	-46.9	172.1	-66.6	164.9	0	0	0	109.8	I233 F248 H328 F561 N562 E567 V568 F569 Q572	I233-I565 HydrophobicContact CD1-CD1 3.87Å; I233-I565 HydrophobicContact CD1-CG1 4.02Å; I233-I565 HydrophobicContact CD1-CG2 3.76Å; I233-I565 HydrophobicContact CG1-CG2 4.02Å; F248-I565 HydrophobicContact CB-CD1 4Å; F248-I565 HydrophobicContact CB-CG1 3.82Å; F248-I565 HydrophobicContact CD2-CG1 3.75Å; F248-I565 HydrophobicContact CE2-CG1 4.5Å; F248-I565 HydrophobicContact CG-CG1 3.93Å; H328-I565 HydrophobicContact CB-CB 4.33Å; H328-I565 HydrophobicContact CB-CD1 3.88Å; H328-I565 HydrophobicContact CB-CG2 3.88Å; F561-I565 WeakPolarHBondContact O-CG1 3.38Å; F561-I565 PolarHBondContact O-N 3.21Å; N562-I565 WeakPolarHBondContact O-CB 3.38Å; N562-I565 PolarHBondContact O-N 3.03Å; I565-E567 PolarHBondContact O-N 2.78Å; I565-V568 PolarHBondContact O-N 2.69Å; I565-F569 HydrophobicContact CG2-CD2 4.42Å; I565-F569 WeakPolarHBondContact O-CA 3.45Å; I565-F569 WeakPolarHBondContact O-CB 3.39Å; I565-F569 PolarHBondContact O-N 3.23Å; I565-Q572 HydrophobicContact CG2-CG 4.07Å
566	E	98.5	Very high	98.5	Very high	101 Å²	101	66.1 Å²	66.1	47%	0.472	37%	0.365	S	S	.	.	H	α-helix	trans	-63.6	-39.1	176.7	-68.7	-177.5	165.2	0	0	112.2	H328 N562 S563 V568 G570	H328-E566 IonicContact CD2-OE1 2.66Å; H328-E566 IonicContact CE1-OE1 3.25Å; H328-E566 IonicContact NE2-OE1 3.94Å; H328-E566 PolarHBondContact NE2-OE1 3.37Å; N562-E566 PolarHBondContact O-N 2.86Å; S563-E566 PolarHBondContact O-N 3.04Å; E566-V568 PolarHBondContact O-N 3.26Å; E566-G570 WeakPolarHBondContact O-CA 3.4Å; E566-G570 PolarHBondContact O-N 3.05Å
567	E	98.6	Very high	98.5	Very high	167 Å²	167	69.1 Å²	69.1	78%	0.78	38%	0.379	S	S	*	.	H	α-helix	trans	-64.2	-39.8	178.2	-173.9	176.3	-176.5	0	0	112.4	S563 Q564 I565	S563-E567 WeakPolarHBondContact O-CB 3.42Å; S563-E567 PolarHBondContact O-N 2.98Å; Q564-E567 PolarHBondContact O-N 3.32Å; I565-E567 PolarHBondContact O-N 2.78Å
568	V	98.6	Very high	98.6	Very high	63 Å²	63	63.4 Å²	63.4	38%	0.382	36%	0.359	S	S	.	.	H	α-helix	trans	-86.2	-41.9	-176.7	178.5	0	0	0	0	112.2	Y244 F248 Q564 I565 E566	Y244-V568 HydrophobicContact CD1-CG1 4.46Å; Y244-V568 HydrophobicContact CE1-CG1 4.01Å; Y244-V568 HydrophobicContact CE1-CG2 4.21Å; Y244-V568 HydrophobicContact CE2-CG1 4.21Å; F248-V568 HydrophobicContact CE2-CG2 4.32Å; F248-V568 HydrophobicContact CZ-CG2 4.38Å; Q564-V568 VanDerWaalsContact O-CG2 3.32Å; Q564-V568 WeakPolarHBondContact O-CG2 3.48Å; Q564-V568 PolarHBondContact O-N 3.1Å; I565-V568 PolarHBondContact O-N 2.69Å; E566-V568 PolarHBondContact O-N 3.26Å
569	F	98.8	Very high	98.6	Very high	38 Å²	38	58.9 Å²	58.9	17%	0.167	34%	0.342	C	S	.	.	H	α-helix	trans	-114.3	-2.2	-169.3	-60.2	-77.4	0	0	0	114	G232 I233 W234 Y244 F248 I565 D571 Q572	G232-F569 WeakPolarHBondContact O-CD1 3.43Å; I233-F569 HydrophobicContact CB-CD2 4.46Å; I233-F569 HydrophobicContact CB-CE2 4.24Å; I233-F569 HydrophobicContact CB-CZ 4.45Å; I233-F569 HydrophobicContact CG1-CD2 4.12Å; I233-F569 HydrophobicContact CG1-CE2 4.35Å; I233-F569 HydrophobicContact CG2-CD2 4.31Å; I233-F569 HydrophobicContact CG2-CE2 3.69Å; I233-F569 HydrophobicContact CG2-CZ 3.99Å; W234-F569 WeakPolarHBondContact O-CZ 3.45Å; Y244-F569 HydrophobicContact CD1-CE2 4.3Å; Y244-F569 HydrophobicContact CD1-CZ 4.39Å; Y244-F569 HydrophobicContact CD2-CE2 4.36Å; Y244-F569 AromaticContact CD2-CZ 3.66Å; Y244-F569 HydrophobicContact CD2-CZ 3.66Å; Y244-F569 HydrophobicContact CE2-CZ 4.36Å; Y244-F569 AromaticContact CG-CE2 3.96Å; Y244-F569 HydrophobicContact CG-CE2 3.96Å; Y244-F569 AromaticContact CG-CZ 3.67Å; Y244-F569 HydrophobicContact CG-CZ 3.67Å; F248-F569 HydrophobicContact CD2-CE2 4.22Å; F248-F569 HydrophobicContact CE2-CE2 4.05Å; I565-F569 HydrophobicContact CG2-CD2 4.42Å; I565-F569 WeakPolarHBondContact O-CA 3.45Å; I565-F569 WeakPolarHBondContact O-CB 3.39Å; I565-F569 PolarHBondContact O-N 3.23Å; F569-D571 PolarHBondContact O-N 3.35Å; F569-Q572 HydrophobicContact CB-CG 4.18Å; F569-Q572 PolarHBondContact O-N 3.34Å
570	G	98.5	Very high	98.5	Very high	40 Å²	40	62.3 Å²	62.3	41%	0.412	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	-118	178.3	0	0	0	0	0	112.4	E566 Q572	E566-G570 WeakPolarHBondContact O-CA 3.4Å; E566-G570 PolarHBondContact O-N 3.05Å; G570-Q572 PolarHBondContact O-N 3.02Å
571	D	98	Very high	98.5	Very high	109 Å²	109	59.5 Å²	59.5	58%	0.583	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	5.8	178.9	73.4	-11.9	0	0	0	114	F569 G573 G574	F569-D571 PolarHBondContact O-N 3.35Å; D571-G573 PolarHBondContact O-N 3.15Å; D571-G573 PolarHBondContact OD1-N 3.27Å; D571-G574 PolarHBondContact O-N 3.49Å
572	Q	98.8	Very high	98.5	Very high	3 Å²	3	58.5 Å²	58.5	1%	0.014	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	26	-177.8	-63.3	172.1	-90.6	0	0	113.6	N231 G232 H328 H331 I565 F569 G570	N231-Q572 WeakPolarHBondContact O-CB 3.48Å; N231-Q572 PolarHBondContact O-NE2 3.3Å; G232-Q572 WeakPolarHBondContact CA-O 3.27Å; H328-Q572 PolarHBondContact O-NE2 3.07Å; H331-Q572 PolarHBondContact CD2-O 2.92Å; H331-Q572 PolarHBondContact NE2-O 3.39Å; I565-Q572 HydrophobicContact CG2-CG 4.07Å; F569-Q572 HydrophobicContact CB-CG 4.18Å; F569-Q572 PolarHBondContact O-N 3.34Å; G570-Q572 PolarHBondContact O-N 3.02Å
573	G	98.1	Very high	98.5	Very high	54 Å²	54	61.8 Å²	61.8	56%	0.557	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	8.7	-179.6	0	0	0	0	0	114.2	R332 D571	R332-G573 PolarHBondContact NH2-O 3.16Å; D571-G573 PolarHBondContact O-N 3.15Å; D571-G573 PolarHBondContact OD1-N 3.27Å
574	G	98.2	Very high	98.5	Very high	15 Å²	15	60.3 Å²	60.3	16%	0.155	35%	0.345	C	S	.	.			trans	64.2	-165.1	175.8	0	0	0	0	0	113.6	H331 R332 D571	H331-G574 PolarHBondContact CE1-O 3.06Å; H331-G574 VanDerWaalsContact CE1-O 3.27Å; H331-G574 PolarHBondContact NE2-O 3.01Å; R332-G574 VanDerWaalsContact CZ-O 3.25Å; R332-G574 PolarHBondContact NE-O 3.03Å; R332-G574 PolarHBondContact NH2-O 3.27Å; D571-G574 PolarHBondContact O-N 3.49Å
575	H	98.1	Very high	98.5	Very high	53 Å²	53	58.5 Å²	58.5	25%	0.245	34%	0.342	C	S	.	.			trans	-104.1	0	-176	-61.6	84.6	0	0	0	113.4	R204 F307 Y320 H331	R204-H575 WeakPolarHBondContact CB-OXT 3.33Å; R204-H575 WeakPolarHBondContact CD-OXT 3.35Å; R204-H575 PolarHBondContact NH1-O 3.04Å; F307-H575 HydrophobicContact CD2-CB 3.46Å; F307-H575 VanDerWaalsContact CD2-CB 3.46Å; F307-H575 AromaticContact CD2-CG 3.62Å; F307-H575 HydrophobicContact CE2-CB 3.65Å; F307-H575 HydrophobicContact CG-CB 4.23Å; Y320-H575 AromaticContact CE1-CD2 3.91Å; Y320-H575 AromaticContact CE1-NE2 3.38Å; Y320-H575 WeakPolarHBondContact CE1-NE2 3.45Å; Y320-H575 AromaticContact CZ-NE2 3.48Å; Y320-H575 PolarHBondContact OH-CD2 3.03Å; Y320-H575 VanDerWaalsContact OH-CD2 3.31Å; Y320-H575 PolarHBondContact OH-NE2 3.46Å; H331-H575 AromaticContact CE1-CD2 3.83Å; H331-H575 AromaticContact CE1-CE1 3.61Å; H331-H575 AromaticContact CE1-NE2 3.47Å; H331-H575 PolarHBondContact CE1-NE2 3.14Å; H331-H575 AromaticContact ND1-CE1 3.98Å; H331-H575 AromaticContact ND1-NE2 3.59Å

Retrieved 575 of 575 residues in 189.5 ms (Link to these results)

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