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Isoform f of cAMP-dependent protein kinase catalytic subunit AlphaSync

Canonical isoform description: Essential for larval development¹. Controls the rhythmic contraction of enteric muscles probably by regulating G-protein coupled receptor aex-2-mediated calcium influx in GABAergic DVB neurons². Plays a role in the control of oocyte meiotic maturation by gonadal sheath cells³. Isoforms a and b: May play a role in the regulation of neuromuscular junctions.

AlphaFold DB , UniProt , Accession P21137-6 (canonical: P21137), Species CAEEL (Caenorhabditis elegans), Gene kin-1, Length 370 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.2	Very low	39.5	Very low	249 Å²	249	136.8 Å²	136.8	100%	1.227	73%	0.725	S	S	*	*				0	48.4	0	-103.8	-167.1	-102.4	0	0	111.3
2	L	28.8	Very low	40.1	Very low	177 Å²	177	138.8 Å²	138.8	93%	0.927	72%	0.723	S	S	*	*			trans	-108.8	97.1	178	-76.6	160.7	0	0	0	108
3	S	33.2	Very low	40.5	Very low	102 Å²	102	138.6 Å²	138.6	71%	0.713	72%	0.716	S	S	*	*			trans	165.3	84.9	158.1	176.8	0	0	0	0	110.2
4	S	42.5	Very low	40.9	Very low	95 Å²	95	141.7 Å²	141.7	66%	0.664	71%	0.714	S	S	*	*	S	Bend	trans	-154.7	-19.8	159.3	74.7	0	0	0	0	112.7
5	S	42	Very low	41.4	Very low	100 Å²	100	142.9 Å²	142.9	70%	0.699	71%	0.713	S	S	*	*	H	α-helix	trans	-77.6	-30.9	177.8	56	0	0	0	0	114.1
6	F	38.7	Very low	41.5	Very low	187 Å²	187	140.7 Å²	140.7	82%	0.82	70%	0.704	S	S	*	*	H	α-helix	trans	-73.8	-31.2	-174.9	-133.3	-96	0	0	0	113.6
7	F	37	Very low	41.8	Very low	159 Å²	159	139.8 Å²	139.8	70%	0.697	70%	0.697	S	S	*	*	H	α-helix	trans	-79	-22.4	178.9	-101.3	-86	0	0	0	114.1
8	R	40.7	Very low	42	Very low	209 Å²	209	135.4 Å²	135.4	79%	0.789	69%	0.687	S	S	*	*	H	α-helix	trans	-78.7	-26.7	178	-83.6	-176.2	175.8	-172.8	0.2	113.5
9	G	37.6	Very low	42.1	Very low	38 Å²	38	133.1 Å²	133.1	39%	0.392	68%	0.676	S	S	.	*	H	α-helix	trans	-67.6	-50.3	176.6	0	0	0	0	0	112.7	M11 K12 E13	G9-M11 PolarHBondContact O-N 3.35Å; G9-K12 PolarHBondContact O-N 3.21Å; G9-E13 PolarHBondContact O-N 3.28Å
10	S	48	Very low	42.4	Very low	56 Å²	56	134.5 Å²	134.5	39%	0.392	68%	0.677	S	S	.	*	H	α-helix	trans	-63.3	-36	-175.7	179.3	0	0	0	0	114	R14	S10-R14 WeakPolarHBondContact O-CG 3.24Å; S10-R14 PolarHBondContact O-N 2.74Å; S10-R14 VanDerWaalsContact O-N 3.12Å
11	M	45.2	Very low	42.6	Very low	133 Å²	133	133.4 Å²	133.4	66%	0.655	67%	0.673	S	S	*	*	H	α-helix	trans	-73.9	-30.6	-178.4	-131	-171.3	-75.3	0	0	112.8	G9 K15	G9-M11 PolarHBondContact O-N 3.35Å; M11-K15 PolarHBondContact O-N 2.98Å
12	K	47.6	Very low	42.9	Very low	160 Å²	160	123.8 Å²	123.8	70%	0.696	63%	0.625	S	S	*	*	H	α-helix	trans	-76.2	-38.3	179.2	-133.8	179.1	-175.6	-175.8	0	111.2	G9 N16	G9-K12 PolarHBondContact O-N 3.21Å; K12-N16 PolarHBondContact O-N 2.66Å; K12-N16 VanDerWaalsContact O-N 3.1Å
13	E	45.5	Very low	43.6	Very low	137 Å²	137	120.8 Å²	120.8	64%	0.64	61%	0.605	S	S	*	*	H	α-helix	trans	-65.8	-47.8	174.1	-74.7	175.6	162.2	0	0	111.6	G9 K15 N16 E17	G9-E13 PolarHBondContact O-N 3.28Å; E13-K15 VanDerWaalsContact C-N 3.32Å; E13-K15 PolarHBondContact O-N 3.37Å; E13-N16 PolarHBondContact O-N 3.24Å; E13-E17 PolarHBondContact O-N 3.34Å
14	R	46	Very low	44.2	Very low	182 Å²	182	119.7 Å²	119.7	69%	0.687	60%	0.597	S	S	*	*	H	α-helix	trans	-59.8	-37.8	176.3	-75.4	-178.8	174.9	-171.7	0.3	113.4	S10 A18	S10-R14 WeakPolarHBondContact O-CG 3.24Å; S10-R14 PolarHBondContact O-N 2.74Å; S10-R14 VanDerWaalsContact O-N 3.12Å; R14-A18 WeakPolarHBondContact O-CB 3.11Å; R14-A18 PolarHBondContact O-N 3.2Å
15	K	47.3	Very low	44.4	Very low	160 Å²	160	122 Å²	122	70%	0.696	60%	0.595	S	S	*	*	H	α-helix	trans	-65.4	-41	173.5	-93.7	-173.2	173.1	-178.6	0	112.3	M11 E13 L19	M11-K15 PolarHBondContact O-N 2.98Å; E13-K15 VanDerWaalsContact C-N 3.32Å; E13-K15 PolarHBondContact O-N 3.37Å; K15-L19 WeakPolarHBondContact O-CB 3.49Å; K15-L19 PolarHBondContact O-N 2.83Å
16	N	44.1	Very low	44.6	Very low	107 Å²	107	118.5 Å²	118.5	57%	0.572	57%	0.567	S	S	*	*	H	α-helix	trans	-68.2	-36.4	177.9	-89.3	-11.7	0	0	0	112.5	K12 E13 L19 K20	K12-N16 PolarHBondContact O-N 2.66Å; K12-N16 VanDerWaalsContact O-N 3.1Å; E13-N16 PolarHBondContact O-N 3.24Å; N16-L19 PolarHBondContact O-N 3.23Å; N16-K20 WeakPolarHBondContact O-CB 3.35Å; N16-K20 PolarHBondContact O-N 3.28Å
17	E	46.5	Very low	45	Very low	125 Å²	125	115.7 Å²	115.7	58%	0.584	56%	0.559	S	S	*	*	H	α-helix	trans	-70.1	-42.5	177.3	-135.9	169.1	-164.4	0	0	111.7	E13 L19 K20 N21	E13-E17 PolarHBondContact O-N 3.34Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 2.89Å; E17-K20 PolarHBondContact O-N 3.45Å; E17-N21 WeakPolarHBondContact O-CB 3.37Å; E17-N21 PolarHBondContact O-N 2.85Å
18	A	45.5	Very low	45.7	Very low	62 Å²	62	110.9 Å²	110.9	51%	0.512	55%	0.545	S	S	.	.	H	α-helix	trans	-60.5	-41.7	172	0	0	0	0	0	112	R14 H22	R14-A18 WeakPolarHBondContact O-CB 3.11Å; R14-A18 PolarHBondContact O-N 3.2Å; A18-H22 WeakPolarHBondContact O-CB 3.44Å; A18-H22 PolarHBondContact O-N 2.97Å
19	L	42.8	Very low	46.4	Very low	91 Å²	91	103.3 Å²	103.3	48%	0.476	53%	0.532	S	S	.	.	H	α-helix	trans	-66	-39.4	175.8	-123.9	91	0	0	0	112.6	K15 N16 E17 K23	K15-L19 WeakPolarHBondContact O-CB 3.49Å; K15-L19 PolarHBondContact O-N 2.83Å; N16-L19 PolarHBondContact O-N 3.23Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 2.89Å; L19-K23 PolarHBondContact O-N 3.37Å
20	K	47.9	Very low	47.6	Very low	160 Å²	160	103.4 Å²	103.4	70%	0.696	53%	0.532	S	S	*	.	H	α-helix	trans	-65.8	-46.3	176.7	-89.7	-175.7	174.2	-178	0	111.6	N16 E17 H22 K23 S24	N16-K20 WeakPolarHBondContact O-CB 3.35Å; N16-K20 PolarHBondContact O-N 3.28Å; E17-K20 PolarHBondContact O-N 3.45Å; K20-H22 VanDerWaalsContact C-N 3.3Å; K20-H22 PolarHBondContact O-N 3.05Å; K20-K23 PolarHBondContact O-N 2.77Å; K20-S24 PolarHBondContact O-N 2.78Å
21	N	46.9	Very low	48.6	Very low	113 Å²	113	102.1 Å²	102.1	60%	0.604	52%	0.519	S	S	*	.	H	α-helix	trans	-64.9	-35.2	177.7	-78.2	-13.8	0	0	0	111.8	E17 S24 K25	E17-N21 WeakPolarHBondContact O-CB 3.37Å; E17-N21 PolarHBondContact O-N 2.85Å; N21-S24 PolarHBondContact O-N 3.16Å; N21-K25 PolarHBondContact O-N 3.41Å
22	H	46.6	Very low	49.7	Very low	46 Å²	46	100.7 Å²	100.7	21%	0.213	51%	0.514	C	S	.	.	H	α-helix	trans	-69.7	-42.1	176.4	-152.5	29.9	0	0	0	112.3	A18 K20 S24 K25 Y26	A18-H22 WeakPolarHBondContact O-CB 3.44Å; A18-H22 PolarHBondContact O-N 2.97Å; K20-H22 VanDerWaalsContact C-N 3.3Å; K20-H22 PolarHBondContact O-N 3.05Å; H22-S24 VanDerWaalsContact C-N 3.32Å; H22-S24 PolarHBondContact O-N 3.03Å; H22-K25 PolarHBondContact O-N 3.04Å; H22-Y26 AromaticContact CE1-CE2 3.76Å; H22-Y26 WeakPolarHBondContact O-CD2 3.4Å
23	K	43.5	Very low	51	Low	115 Å²	115	98.8 Å²	98.8	50%	0.5	51%	0.507	S	S	.	.	H	α-helix	trans	-60	-40.3	171.9	-82.4	-172.4	172.8	-170.7	0	112.6	L19 K20 K25 Y26 I27	L19-K23 PolarHBondContact O-N 3.37Å; K20-K23 PolarHBondContact O-N 2.77Å; K23-K25 PolarHBondContact O-N 3.47Å; K23-Y26 PolarHBondContact O-N 2.9Å; K23-I27 WeakPolarHBondContact O-CG1 2.98Å; K23-I27 PolarHBondContact O-N 3.34Å
24	S	46.3	Very low	52.9	Low	78 Å²	78	96.2 Å²	96.2	55%	0.545	50%	0.501	S	S	.	.	H	α-helix	trans	-64	-29.1	178.4	-167	0	0	0	0	112.9	K20 N21 H22 S28	K20-S24 PolarHBondContact O-N 2.78Å; N21-S24 PolarHBondContact O-N 3.16Å; H22-S24 VanDerWaalsContact C-N 3.32Å; H22-S24 PolarHBondContact O-N 3.03Å; S24-S28 PolarHBondContact O-N 2.67Å
25	K	46	Very low	54.9	Low	145 Å²	145	88.7 Å²	88.7	63%	0.63	48%	0.475	S	S	*	.	H	α-helix	trans	-70.6	-35.1	-179.8	-140.2	176.9	-174.9	-174.1	0	111.9	N21 H22 K23 S28	N21-K25 PolarHBondContact O-N 3.41Å; H22-K25 PolarHBondContact O-N 3.04Å; K23-K25 PolarHBondContact O-N 3.47Å; K25-S28 PolarHBondContact O-OG 3.49Å
26	Y	47	Very low	56.9	Low	26 Å²	26	87.5 Å²	87.5	10%	0.102	47%	0.47	C	S	.	.	H	α-helix	trans	-82.9	-25.7	178.3	-76.4	-72.4	0	0	0	114.5	H22 K23 S28 Y31 D321 W322	H22-Y26 AromaticContact CE1-CE2 3.76Å; H22-Y26 WeakPolarHBondContact O-CD2 3.4Å; K23-Y26 PolarHBondContact O-N 2.9Å; Y26-S28 VanDerWaalsContact C-N 3.28Å; Y26-Y31 AromaticContact CD1-CD1 3.73Å; Y26-Y31 HydrophobicContact CD1-CD1 3.73Å; Y26-Y31 HydrophobicContact CD1-CD2 4.45Å; Y26-Y31 AromaticContact CD1-CE1 3.54Å; Y26-Y31 HydrophobicContact CD1-CE1 3.54Å; Y26-Y31 HydrophobicContact CD1-CE2 4.28Å; Y26-Y31 HydrophobicContact CD1-CG 4.19Å; Y26-Y31 AromaticContact CD1-CZ 3.84Å; Y26-Y31 HydrophobicContact CE1-CD1 4.3Å; Y26-Y31 HydrophobicContact CE1-CD2 4.34Å; Y26-Y31 AromaticContact CE1-CE1 3.86Å; Y26-Y31 HydrophobicContact CE1-CE1 3.86Å; Y26-Y31 AromaticContact CE1-CE2 3.89Å; Y26-Y31 HydrophobicContact CE1-CE2 3.89Å; Y26-Y31 AromaticContact CE1-CZ 3.63Å; Y26-D321 VanDerWaalsContact OH-CA 3.27Å; Y26-D321 WeakPolarHBondContact OH-CA 3.41Å; Y26-D321 PolarHBondContact OH-OD1 3.36Å; Y26-W322 HydrophobicContact CE1-CB 3.96Å; Y26-W322 AromaticContact CE1-CD1 3.45Å; Y26-W322 VanDerWaalsContact CE1-CD1 3.45Å; Y26-W322 HydrophobicContact CE1-CG 4.07Å; Y26-W322 AromaticContact CZ-CD1 3.51Å; Y26-W322 PolarHBondContact OH-N 3.15Å
27	I	46.6	Very low	59.2	Low	128 Å²	128	88.3 Å²	88.3	66%	0.656	47%	0.47	S	S	*	.	S	Bend	trans	-85.7	-3.6	175.9	-59.6	170.1	0	0	0	111.2	K23 G29	K23-I27 WeakPolarHBondContact O-CG1 2.98Å; K23-I27 PolarHBondContact O-N 3.34Å; I27-G29 PolarHBondContact O-N 3.35Å
28	S	51.8	Low	61.5	Low	58 Å²	58	85.9 Å²	85.9	41%	0.406	46%	0.458	S	S	.	.	S	Bend	trans	-69.2	124.5	171.2	76.7	0	0	0	0	109.2	S24 K25 Y26 G30 Y31	S24-S28 PolarHBondContact O-N 2.67Å; K25-S28 PolarHBondContact O-OG 3.49Å; Y26-S28 VanDerWaalsContact C-N 3.28Å; S28-G30 PolarHBondContact O-N 3.31Å; S28-Y31 PolarHBondContact O-N 2.99Å
29	G	56	Low	63.8	Low	50 Å²	50	84 Å²	84	52%	0.515	44%	0.44	S	S	.	.	H	α-helix	trans	-49.8	-32.9	-177.5	0	0	0	0	0	113.2	I27 Y31 L32 E33	I27-G29 PolarHBondContact O-N 3.35Å; G29-Y31 PolarHBondContact O-N 2.98Å; G29-L32 PolarHBondContact O-N 3.3Å; G29-E33 WeakPolarHBondContact O-CB 3.28Å; G29-E33 PolarHBondContact O-N 3.07Å
30	G	62.1	Low	66.3	Low	39 Å²	39	83 Å²	83	40%	0.402	43%	0.434	S	S	.	.	H	α-helix	trans	-61.7	-34	178.6	0	0	0	0	0	115.2	S28 T34	S28-G30 PolarHBondContact O-N 3.31Å; G30-T34 WeakPolarHBondContact O-CB 3.49Å; G30-T34 PolarHBondContact O-N 3.4Å; G30-T34 PolarHBondContact O-OG1 3.26Å
31	Y	68.4	Low	68.6	Low	29 Å²	29	82.1 Å²	82.1	11%	0.114	43%	0.431	C	S	.	.	H	α-helix	trans	-67.2	-48.6	177.1	170	-99.9	0	0	0	111.5	Y26 S28 G29 E33 T34 V35 K312 I323	Y26-Y31 AromaticContact CD1-CD1 3.73Å; Y26-Y31 HydrophobicContact CD1-CD1 3.73Å; Y26-Y31 HydrophobicContact CD1-CD2 4.45Å; Y26-Y31 AromaticContact CD1-CE1 3.54Å; Y26-Y31 HydrophobicContact CD1-CE1 3.54Å; Y26-Y31 HydrophobicContact CD1-CE2 4.28Å; Y26-Y31 HydrophobicContact CD1-CG 4.19Å; Y26-Y31 AromaticContact CD1-CZ 3.84Å; Y26-Y31 HydrophobicContact CE1-CD1 4.3Å; Y26-Y31 HydrophobicContact CE1-CD2 4.34Å; Y26-Y31 AromaticContact CE1-CE1 3.86Å; Y26-Y31 HydrophobicContact CE1-CE1 3.86Å; Y26-Y31 AromaticContact CE1-CE2 3.89Å; Y26-Y31 HydrophobicContact CE1-CE2 3.89Å; Y26-Y31 AromaticContact CE1-CZ 3.63Å; S28-Y31 PolarHBondContact O-N 2.99Å; G29-Y31 PolarHBondContact O-N 2.98Å; Y31-E33 VanDerWaalsContact C-N 3.28Å; Y31-E33 PolarHBondContact O-N 3.1Å; Y31-T34 PolarHBondContact O-N 3.32Å; Y31-V35 HydrophobicContact CD1-CG2 4.48Å; Y31-V35 HydrophobicContact CD2-CG2 4.34Å; Y31-V35 HydrophobicContact CE1-CG2 3.93Å; Y31-V35 HydrophobicContact CE2-CG2 3.75Å; Y31-V35 WeakPolarHBondContact O-CG2 3.29Å; Y31-V35 PolarHBondContact O-N 3.1Å; Y31-K312 PolarHBondContact OH-NZ 2.86Å; Y31-I323 HydrophobicContact CD2-CD1 4.17Å; Y31-I323 HydrophobicContact CD2-CG1 4.02Å; Y31-I323 HydrophobicContact CE2-CD1 3.49Å; Y31-I323 VanDerWaalsContact CE2-CD1 3.49Å; Y31-I323 HydrophobicContact CE2-CG1 3.51Å
32	L	68.8	Low	70.9	Confident	104 Å²	104	77.3 Å²	77.3	55%	0.545	41%	0.406	S	S	.	.	H	α-helix	trans	-63.9	-37.9	179.5	-72.5	170.6	0	0	0	111.1	G29 V35 K36	G29-L32 PolarHBondContact O-N 3.3Å; L32-V35 PolarHBondContact O-N 3.45Å; L32-K36 WeakPolarHBondContact O-CB 3.27Å; L32-K36 PolarHBondContact O-N 3.28Å
33	E	75.8	Confident	73.3	Confident	120 Å²	120	79.8 Å²	79.8	56%	0.561	41%	0.414	S	S	*	.	H	α-helix	trans	-63.7	-45.2	175.1	-160.9	152.1	-143.7	0	0	111.2	G29 Y31 V35 K36 E37	G29-E33 WeakPolarHBondContact O-CB 3.28Å; G29-E33 PolarHBondContact O-N 3.07Å; Y31-E33 VanDerWaalsContact C-N 3.28Å; Y31-E33 PolarHBondContact O-N 3.1Å; E33-V35 PolarHBondContact O-N 2.96Å; E33-K36 PolarHBondContact O-N 3.32Å; E33-E37 WeakPolarHBondContact O-CG 3.43Å; E33-E37 PolarHBondContact O-N 2.95Å
34	T	84.7	Confident	75.9	Confident	82 Å²	82	78.7 Å²	78.7	50%	0.503	41%	0.411	S	S	.	.	H	α-helix	trans	-60.4	-43.5	175.3	-51.3	0	0	0	0	112.4	G30 Y31 F38	G30-T34 WeakPolarHBondContact O-CB 3.49Å; G30-T34 PolarHBondContact O-N 3.4Å; G30-T34 PolarHBondContact O-OG1 3.26Å; Y31-T34 PolarHBondContact O-N 3.32Å; T34-F38 WeakPolarHBondContact O-CB 3.28Å; T34-F38 PolarHBondContact O-N 3.18Å
35	V	88.5	Confident	78.3	Confident	24 Å²	24	78.2 Å²	78.2	15%	0.145	40%	0.402	C	S	.	.	H	α-helix	trans	-66.4	-41.2	177.9	173.3	0	0	0	0	110.6	Y31 L32 E33 F38 L39	Y31-V35 HydrophobicContact CD1-CG2 4.48Å; Y31-V35 HydrophobicContact CD2-CG2 4.34Å; Y31-V35 HydrophobicContact CE1-CG2 3.93Å; Y31-V35 HydrophobicContact CE2-CG2 3.75Å; Y31-V35 WeakPolarHBondContact O-CG2 3.29Å; Y31-V35 PolarHBondContact O-N 3.1Å; L32-V35 PolarHBondContact O-N 3.45Å; E33-V35 PolarHBondContact O-N 2.96Å; V35-F38 PolarHBondContact O-N 3.34Å; V35-L39 HydrophobicContact CG1-CD1 3.96Å; V35-L39 HydrophobicContact CG1-CG 4.29Å; V35-L39 VanDerWaalsContact O-CG 3.3Å; V35-L39 WeakPolarHBondContact O-CG 3.24Å; V35-L39 PolarHBondContact O-N 3.46Å
36	K	89	Confident	80.8	Confident	136 Å²	136	71.4 Å²	71.4	59%	0.591	37%	0.372	S	S	*	.	H	α-helix	trans	-62.1	-47.8	177.5	-175.3	-174.3	173.3	-165.4	0	111.3	L32 E33 F38 L39 D40	L32-K36 WeakPolarHBondContact O-CB 3.27Å; L32-K36 PolarHBondContact O-N 3.28Å; E33-K36 PolarHBondContact O-N 3.32Å; K36-F38 VanDerWaalsContact C-N 3.32Å; K36-F38 PolarHBondContact O-N 3.43Å; K36-L39 PolarHBondContact O-N 3.15Å; K36-D40 WeakPolarHBondContact O-CB 3.47Å; K36-D40 PolarHBondContact O-N 2.95Å
37	E	92.5	Very high	83.2	Confident	123 Å²	123	74.1 Å²	74.1	58%	0.575	39%	0.385	S	S	*	.	H	α-helix	trans	-58.1	-44.1	175.8	-73.7	176	178.7	0	0	111.9	E33 D40 K41	E33-E37 WeakPolarHBondContact O-CG 3.43Å; E33-E37 PolarHBondContact O-N 2.95Å; E37-D40 PolarHBondContact O-N 3.21Å; E37-K41 PolarHBondContact O-N 3.12Å
38	F	94.3	Very high	85.6	Confident	74 Å²	74	73.5 Å²	73.5	33%	0.325	38%	0.379	S	S	.	.	H	α-helix	trans	-59.1	-48.4	175	170.3	-95.1	0	0	0	112	T34 V35 K36 K41 A42 F120 Y326	T34-F38 WeakPolarHBondContact O-CB 3.28Å; T34-F38 PolarHBondContact O-N 3.18Å; V35-F38 PolarHBondContact O-N 3.34Å; K36-F38 VanDerWaalsContact C-N 3.32Å; K36-F38 PolarHBondContact O-N 3.43Å; F38-K41 PolarHBondContact O-N 3.02Å; F38-A42 VanDerWaalsContact O-CB 3.31Å; F38-A42 WeakPolarHBondContact O-CB 3.24Å; F38-A42 PolarHBondContact O-N 3.07Å; F38-F120 HydrophobicContact CE1-CD2 4.38Å; F38-F120 AromaticContact CE1-CE2 3.87Å; F38-F120 HydrophobicContact CE1-CE2 3.87Å; F38-F120 HydrophobicContact CZ-CD2 4.22Å; F38-F120 HydrophobicContact CZ-CE2 4.01Å; F38-Y326 HydrophobicContact CE1-CE2 4.5Å; F38-Y326 AromaticContact CE2-CZ 3.97Å; F38-Y326 WeakPolarHBondContact CE2-OH 3.12Å; F38-Y326 HydrophobicContact CZ-CE2 4.03Å; F38-Y326 AromaticContact CZ-CZ 3.92Å; F38-Y326 VanDerWaalsContact CZ-OH 3.31Å; F38-Y326 WeakPolarHBondContact CZ-OH 3.31Å
39	L	94.9	Very high	87.7	Confident	24 Å²	24	75.3 Å²	75.3	13%	0.126	38%	0.377	C	S	.	.	H	α-helix	trans	-68.1	-34.1	-179.4	-68.1	176.6	0	0	0	112.4	V35 K36 R43 E175	V35-L39 HydrophobicContact CG1-CD1 3.96Å; V35-L39 HydrophobicContact CG1-CG 4.29Å; V35-L39 VanDerWaalsContact O-CG 3.3Å; V35-L39 WeakPolarHBondContact O-CG 3.24Å; V35-L39 PolarHBondContact O-N 3.46Å; K36-L39 PolarHBondContact O-N 3.15Å; L39-R43 WeakPolarHBondContact O-CB 3.4Å; L39-R43 PolarHBondContact O-N 3.28Å; L39-E175 HydrophobicContact CD1-CG 4.16Å
40	D	95.3	Very high	89.6	Confident	68 Å²	68	74.3 Å²	74.3	36%	0.364	36%	0.358	S	S	.	.	H	α-helix	trans	-68.1	-42.4	176.4	-74.4	-23.3	0	0	0	111.1	K36 E37 R43 E44	K36-D40 WeakPolarHBondContact O-CB 3.47Å; K36-D40 PolarHBondContact O-N 2.95Å; E37-D40 PolarHBondContact O-N 3.21Å; D40-R43 PolarHBondContact O-N 3.48Å; D40-R43 IonicContact OD1-CZ 2.72Å; D40-R43 IonicContact OD1-NH1 2.83Å; D40-R43 PolarHBondContact OD1-NH1 3.43Å; D40-R43 IonicContact OD1-NH2 3.22Å; D40-E44 PolarHBondContact O-N 2.93Å
41	K	95.6	Very high	91.3	Very high	143 Å²	143	77.7 Å²	77.7	62%	0.622	36%	0.363	S	S	*	.	H	α-helix	trans	-62.9	-48.1	172.3	-176.8	178.8	177.7	-178.2	0	111.7	E37 F38 R43 E44 D45	E37-K41 PolarHBondContact O-N 3.12Å; F38-K41 PolarHBondContact O-N 3.02Å; K41-R43 PolarHBondContact O-N 3.35Å; K41-E44 PolarHBondContact O-N 2.91Å; K41-E44 VanDerWaalsContact O-N 3.07Å; K41-D45 PolarHBondContact O-N 3.13Å
42	A	95.9	Very high	92.6	Very high	11 Å²	11	82 Å²	82	9%	0.091	39%	0.388	C	S	.	.	H	α-helix	trans	-57.2	-35.8	177.3	0	0	0	0	0	112.5	F38 F46 Y176	F38-A42 VanDerWaalsContact O-CB 3.31Å; F38-A42 WeakPolarHBondContact O-CB 3.24Å; F38-A42 PolarHBondContact O-N 3.07Å; A42-F46 WeakPolarHBondContact O-CB 3.36Å; A42-F46 PolarHBondContact O-N 2.96Å; A42-Y176 HydrophobicContact CB-CD2 4.34Å; A42-Y176 HydrophobicContact CB-CE2 3.84Å
43	R	96.9	Very high	93.7	Very high	99 Å²	99	79.2 Å²	79.2	37%	0.374	38%	0.376	S	S	.	.	H	α-helix	trans	-66.7	-40.5	175.7	-169.8	-173.8	-60.6	119.2	9.6	112.4	L39 D40 K41 K47 S179 L180	L39-R43 WeakPolarHBondContact O-CB 3.4Å; L39-R43 PolarHBondContact O-N 3.28Å; D40-R43 PolarHBondContact O-N 3.48Å; D40-R43 IonicContact OD1-CZ 2.72Å; D40-R43 IonicContact OD1-NH1 2.83Å; D40-R43 PolarHBondContact OD1-NH1 3.43Å; D40-R43 IonicContact OD1-NH2 3.22Å; K41-R43 PolarHBondContact O-N 3.35Å; R43-K47 VanDerWaalsContact O-CB 3.3Å; R43-K47 WeakPolarHBondContact O-CB 3.36Å; R43-K47 PolarHBondContact O-N 3.2Å; R43-S179 PolarHBondContact NE-O 3.22Å; R43-S179 PolarHBondContact NH2-O 2.94Å; R43-L180 HydrophobicContact CB-CD2 4Å; R43-L180 HydrophobicContact CG-CD2 4.18Å
44	E	97.2	Very high	94.6	Very high	92 Å²	92	76.1 Å²	76.1	43%	0.43	37%	0.371	S	S	.	.	H	α-helix	trans	-67	-47.6	176.7	-174.7	55.9	-151.3	0	0	111.1	D40 K41 F46 K47 Q48	D40-E44 PolarHBondContact O-N 2.93Å; K41-E44 PolarHBondContact O-N 2.91Å; K41-E44 VanDerWaalsContact O-N 3.07Å; E44-F46 VanDerWaalsContact C-N 3.33Å; E44-F46 PolarHBondContact O-N 2.85Å; E44-K47 WeakPolarHBondContact O-CB 3.32Å; E44-K47 PolarHBondContact O-N 2.81Å; E44-K47 VanDerWaalsContact O-N 3.09Å; E44-Q48 PolarHBondContact O-N 3.24Å
45	D	97	Very high	95	Very high	68 Å²	68	76.4 Å²	76.4	36%	0.364	37%	0.366	S	S	.	.	H	α-helix	trans	-58.8	-45.2	176.6	-68.5	-21.6	0	0	0	111.1	K41 K47 Q48 R49	K41-D45 PolarHBondContact O-N 3.13Å; D45-K47 PolarHBondContact O-N 2.79Å; D45-Q48 PolarHBondContact O-N 3.46Å; D45-R49 WeakPolarHBondContact O-CG 3.5Å; D45-R49 PolarHBondContact O-N 2.81Å
46	F	97.7	Very high	95.3	Very high	2 Å²	2	79.2 Å²	79.2	1%	0.009	38%	0.381	C	S	.	.	H	α-helix	trans	-59.4	-45.1	174.1	171.1	-96	0	0	0	111.7	A42 E44 Q48 R49 W50 A117 I118 L180 L182	A42-F46 WeakPolarHBondContact O-CB 3.36Å; A42-F46 PolarHBondContact O-N 2.96Å; E44-F46 VanDerWaalsContact C-N 3.33Å; E44-F46 PolarHBondContact O-N 2.85Å; F46-Q48 VanDerWaalsContact C-N 3.34Å; F46-Q48 PolarHBondContact O-N 3.15Å; F46-R49 PolarHBondContact O-N 3.1Å; F46-W50 HydrophobicContact CD1-CB 4.47Å; F46-W50 HydrophobicContact CE1-CB 4.16Å; F46-W50 HydrophobicContact CE1-CD2 4.32Å; F46-W50 HydrophobicContact CE1-CE3 4.35Å; F46-W50 HydrophobicContact CE1-CG 4.25Å; F46-W50 AromaticContact CE2-CE3 3.97Å; F46-W50 HydrophobicContact CE2-CE3 3.97Å; F46-W50 HydrophobicContact CZ-CB 4.27Å; F46-W50 AromaticContact CZ-CD2 3.91Å; F46-W50 HydrophobicContact CZ-CD2 3.91Å; F46-W50 AromaticContact CZ-CE3 3.51Å; F46-W50 HydrophobicContact CZ-CE3 3.51Å; F46-W50 HydrophobicContact CZ-CG 4.25Å; F46-W50 HydrophobicContact CZ-CZ3 4.19Å; F46-W50 WeakPolarHBondContact O-CB 3.23Å; F46-W50 PolarHBondContact O-N 3.39Å; F46-A117 HydrophobicContact CD2-CB 3.62Å; F46-A117 WeakPolarHBondContact CD2-O 3.5Å; F46-A117 HydrophobicContact CE2-CB 3.53Å; F46-A117 HydrophobicContact CZ-CB 4.44Å; F46-I118 HydrophobicContact CD2-CG2 4.19Å; F46-I118 HydrophobicContact CE2-CG2 4.06Å; F46-L180 HydrophobicContact CB-CD1 4.1Å; F46-L180 HydrophobicContact CB-CD2 3.74Å; F46-L180 HydrophobicContact CB-CG 4.49Å; F46-L180 HydrophobicContact CD1-CB 4.19Å; F46-L180 HydrophobicContact CD1-CD1 4.42Å; F46-L180 HydrophobicContact CD1-CD2 4.04Å; F46-L180 HydrophobicContact CD1-CG 4.44Å; F46-L180 HydrophobicContact CD2-CD1 3.69Å; F46-L180 HydrophobicContact CE1-CB 4.24Å; F46-L180 HydrophobicContact CE2-CD1 4.23Å; F46-L180 HydrophobicContact CG-CB 4.4Å; F46-L180 HydrophobicContact CG-CD1 3.81Å; F46-L180 HydrophobicContact CG-CD2 3.88Å; F46-L180 HydrophobicContact CG-CG 4.24Å; F46-L182 HydrophobicContact CE2-CD1 3.86Å; F46-L182 HydrophobicContact CZ-CD1 4.04Å; F46-L182 HydrophobicContact CZ-CD2 4.4Å; F46-L182 HydrophobicContact CZ-CG 4.36Å
47	K	97.2	Very high	95.8	Very high	83 Å²	83	75.8 Å²	75.8	36%	0.361	37%	0.371	S	S	.	.	H	α-helix	trans	-60.8	-44.4	-179	-175.1	-174.6	171.6	-163	0	111	R43 E44 D45 W50 E51	R43-K47 VanDerWaalsContact O-CB 3.3Å; R43-K47 WeakPolarHBondContact O-CB 3.36Å; R43-K47 PolarHBondContact O-N 3.2Å; E44-K47 WeakPolarHBondContact O-CB 3.32Å; E44-K47 PolarHBondContact O-N 2.81Å; E44-K47 VanDerWaalsContact O-N 3.09Å; D45-K47 PolarHBondContact O-N 2.79Å; K47-W50 PolarHBondContact O-N 2.85Å; K47-E51 WeakPolarHBondContact CE-OE1 3.44Å; K47-E51 HydrophobicContact CG-CG 4.42Å; K47-E51 WeakPolarHBondContact CG-OE1 3.38Å; K47-E51 WeakPolarHBondContact O-CB 3.46Å; K47-E51 WeakPolarHBondContact O-CG 3.47Å; K47-E51 PolarHBondContact O-N 2.78Å
48	Q	97	Very high	96	Very high	114 Å²	114	70.8 Å²	70.8	53%	0.533	35%	0.351	S	S	.	.	H	α-helix	trans	-61.2	-46.6	177.9	-67.7	-157.8	1.7	0	0	112.3	E44 D45 F46 W50 N52	E44-Q48 PolarHBondContact O-N 3.24Å; D45-Q48 PolarHBondContact O-N 3.46Å; F46-Q48 VanDerWaalsContact C-N 3.34Å; F46-Q48 PolarHBondContact O-N 3.15Å; Q48-W50 VanDerWaalsContact C-N 3.34Å; Q48-N52 WeakPolarHBondContact O-CB 3.43Å; Q48-N52 PolarHBondContact O-N 2.54Å; Q48-N52 PolarHBondContact O-ND2 3.16Å
49	R	96.9	Very high	96.2	Very high	96 Å²	96	70 Å²	70	36%	0.362	35%	0.354	S	S	.	.	H	α-helix	trans	-68.1	-32.5	177.2	-62.1	-179.9	-163.5	-179.9	8.6	112.6	D45 F46 N52 A117 D119	D45-R49 WeakPolarHBondContact O-CG 3.5Å; D45-R49 PolarHBondContact O-N 2.81Å; F46-R49 PolarHBondContact O-N 3.1Å; R49-N52 CarbonylContact O-C 3.48Å; R49-A117 HydrophobicContact CB-CB 4Å; R49-D119 IonicContact CZ-OD2 3.97Å; R49-D119 IonicContact NH1-OD2 2.74Å; R49-D119 PolarHBondContact NH1-OD2 3.42Å; R49-D119 IonicContact NH2-OD2 2.6Å; R49-D119 PolarHBondContact NH2-OD2 2.92Å
50	W	96.6	Very high	96.3	Very high	30 Å²	30	69.7 Å²	69.7	11%	0.114	35%	0.352	C	S	.	.	H	α-helix	trans	-71.5	-38.1	178.9	-178.9	-88.9	0	0	0	113.1	F46 K47 Q48 R113 I114 A117 R210	F46-W50 HydrophobicContact CD1-CB 4.47Å; F46-W50 HydrophobicContact CE1-CB 4.16Å; F46-W50 HydrophobicContact CE1-CD2 4.32Å; F46-W50 HydrophobicContact CE1-CE3 4.35Å; F46-W50 HydrophobicContact CE1-CG 4.25Å; F46-W50 AromaticContact CE2-CE3 3.97Å; F46-W50 HydrophobicContact CE2-CE3 3.97Å; F46-W50 HydrophobicContact CZ-CB 4.27Å; F46-W50 AromaticContact CZ-CD2 3.91Å; F46-W50 HydrophobicContact CZ-CD2 3.91Å; F46-W50 AromaticContact CZ-CE3 3.51Å; F46-W50 HydrophobicContact CZ-CE3 3.51Å; F46-W50 HydrophobicContact CZ-CG 4.25Å; F46-W50 HydrophobicContact CZ-CZ3 4.19Å; F46-W50 WeakPolarHBondContact O-CB 3.23Å; F46-W50 PolarHBondContact O-N 3.39Å; K47-W50 PolarHBondContact O-N 2.85Å; Q48-W50 VanDerWaalsContact C-N 3.34Å; W50-R113 HydrophobicContact CD2-CG 4.25Å; W50-R113 HydrophobicContact CE3-CG 3.83Å; W50-R113 HydrophobicContact CH2-CB 4.3Å; W50-R113 HydrophobicContact CH2-CG 3.89Å; W50-R113 HydrophobicContact CZ2-CG 4.29Å; W50-R113 HydrophobicContact CZ3-CB 4.07Å; W50-R113 HydrophobicContact CZ3-CG 3.63Å; W50-R113 PolarHBondContact O-NE 2.9Å; W50-R113 PolarHBondContact O-NH2 3.46Å; W50-I114 HydrophobicContact CH2-CG1 4.07Å; W50-I114 HydrophobicContact CZ3-CB 4.42Å; W50-I114 HydrophobicContact CZ3-CG1 3.61Å; W50-A117 HydrophobicContact CB-CB 4.27Å; W50-A117 HydrophobicContact CE3-CB 4.14Å; W50-R210 HydrophobicContact CH2-CB 4.36Å; W50-R210 HydrophobicContact CZ2-CB 4.35Å
51	E	96.1	Very high	96.4	Very high	109 Å²	109	72.3 Å²	72.3	51%	0.509	37%	0.366	S	S	.	.	H	α-helix	trans	-80.2	-27.7	178.6	-70.8	175	179.9	0	0	112	K47 P53	K47-E51 WeakPolarHBondContact CE-OE1 3.44Å; K47-E51 HydrophobicContact CG-CG 4.42Å; K47-E51 WeakPolarHBondContact CG-OE1 3.38Å; K47-E51 WeakPolarHBondContact O-CB 3.46Å; K47-E51 WeakPolarHBondContact O-CG 3.47Å; K47-E51 PolarHBondContact O-N 2.78Å; E51-P53 VanDerWaalsContact C-CD 3.47Å; E51-P53 VanDerWaalsContact O-CD 3.27Å; E51-P53 WeakPolarHBondContact O-CD 3.44Å
52	N	95.8	Very high	96.5	Very high	120 Å²	120	68.2 Å²	68.2	64%	0.642	35%	0.351	S	S	*	.	S	Bend	trans	-120.7	71.5	-179.7	-54.7	-79.6	0	0	0	111.2	Q48 R49 A54	Q48-N52 WeakPolarHBondContact O-CB 3.43Å; Q48-N52 PolarHBondContact O-N 2.54Å; Q48-N52 PolarHBondContact O-ND2 3.16Å; R49-N52 CarbonylContact O-C 3.48Å; N52-A54 PolarHBondContact O-N 3.45Å
53	P	93.5	Very high	96.6	Very high	46 Å²	46	67.9 Å²	67.9	30%	0.299	35%	0.348	S	S	.	.			trans	-67	123.6	-176.3	30.3	-37.6	0	0	0	111.5	E51	E51-P53 VanDerWaalsContact C-CD 3.47Å; E51-P53 VanDerWaalsContact O-CD 3.27Å; E51-P53 WeakPolarHBondContact O-CD 3.44Å
54	A	93.8	Very high	96.7	Very high	54 Å²	54	66.9 Å²	66.9	45%	0.446	35%	0.35	S	S	.	.			trans	-68.1	138.4	172.9	0	0	0	0	0	110.6	N52 T57 K112 Q116	N52-A54 PolarHBondContact O-N 3.45Å; A54-T57 HydrophobicContact CB-CG2 3.82Å; A54-K112 PolarHBondContact O-NZ 3.15Å; A54-Q116 PolarHBondContact O-OE1 3.39Å
55	Q	93.2	Very high	96.7	Very high	88 Å²	88	68.1 Å²	68.1	41%	0.411	35%	0.351	S	S	.	.			trans	-126.9	146.6	179.4	-69.2	179.5	-9.4	0	0	110.2	T57 E369	Q55-T57 PolarHBondContact O-N 2.88Å; Q55-E369 PolarHBondContact NE2-O 3.04Å
56	N	95.9	Very high	96.6	Very high	84 Å²	84	69 Å²	69	45%	0.449	35%	0.354	S	S	.	.			trans	47.9	57.2	175.6	-57.5	-45.5	0	0	0	113.6	A58 S129	N56-A58 VanDerWaalsContact C-N 3.29Å; N56-A58 PolarHBondContact O-N 3.26Å; N56-S129 VanDerWaalsContact CA-O 3.31Å; N56-S129 WeakPolarHBondContact CA-O 3.27Å; N56-S129 PolarHBondContact N-O 2.63Å
57	T	97.6	Very high	96.6	Very high	63 Å²	63	70.6 Å²	70.6	39%	0.387	36%	0.361	S	S	.	.			trans	-84.5	-0.1	-175.5	54.7	0	0	0	0	114.3	A54 Q55 F128 S129	A54-T57 HydrophobicContact CB-CG2 3.82Å; Q55-T57 PolarHBondContact O-N 2.88Å; T57-F128 VanDerWaalsContact OG1-CA 3.3Å; T57-F128 WeakPolarHBondContact OG1-CA 3.28Å; T57-S129 PolarHBondContact N-O 3.3Å; T57-S129 PolarHBondContact OG1-N 3.15Å; T57-S129 PolarHBondContact OG1-O 2.92Å
58	A	98	Very high	96.5	Very high	18 Å²	18	66.6 Å²	66.6	15%	0.149	34%	0.344	C	S	.	.	S	Bend	trans	-160.3	-177.4	173.4	0	0	0	0	0	109.4	N56 F63 F128 F130	N56-A58 VanDerWaalsContact C-N 3.29Å; N56-A58 PolarHBondContact O-N 3.26Å; A58-F63 HydrophobicContact CB-CE2 3.89Å; A58-F63 HydrophobicContact CB-CZ 4.16Å; A58-F128 HydrophobicContact CB-CB 3.86Å; A58-F128 HydrophobicContact CB-CD1 3.87Å; A58-F128 HydrophobicContact CB-CG 3.96Å; A58-F130 HydrophobicContact CB-CD1 3.9Å; A58-F130 HydrophobicContact CB-CE1 4.1Å; A58-F130 WeakPolarHBondContact O-CB 3.27Å; A58-F130 VanDerWaalsContact O-CG 3.27Å; A58-F130 WeakPolarHBondContact O-CG 3.48Å
59	C	97.5	Very high	96.4	Very high	57 Å²	57	61.7 Å²	61.7	39%	0.385	32%	0.321	S	S	.	.			trans	-132.5	167.9	168.3	73.9	0	0	0	0	111.6	D61 D62 F63	C59-D61 PolarHBondContact O-N 2.87Å; C59-D62 PolarHBondContact N-OD2 2.95Å; C59-D62 WeakPolarHBondContact O-CB 3.27Å; C59-D62 PolarHBondContact O-N 3.08Å; C59-D62 PolarHBondContact SG-OD2 3.31Å; C59-F63 VanDerWaalsContact O-CD2 3.3Å; C59-F63 WeakPolarHBondContact O-CD2 3.37Å; C59-F63 WeakPolarHBondContact O-CE2 3.35Å
60	L	97.3	Very high	96.2	Very high	19 Å²	19	57.9 Å²	57.9	10%	0.099	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-63.5	-33.1	-176.3	-172.8	64.3	0	0	0	112.6	D62 F63 M91 F130 Y137 L355 I357	L60-D62 PolarHBondContact O-N 3.45Å; L60-F63 PolarHBondContact O-N 3.36Å; L60-M91 HydrophobicContact CD1-CE 4.21Å; L60-M91 HydrophobicContact CD1-SD 3.85Å; L60-F130 HydrophobicContact CB-CE2 3.92Å; L60-F130 HydrophobicContact CB-CZ 4.36Å; L60-F130 HydrophobicContact CD1-CE2 4.46Å; L60-F130 HydrophobicContact CD1-CZ 4.41Å; L60-F130 VanDerWaalsContact N-CE2 3.3Å; L60-Y137 HydrophobicContact CD1-CD1 4.16Å; L60-Y137 HydrophobicContact CD1-CE1 3.65Å; L60-Y137 HydrophobicContact CD2-CE1 4.49Å; L60-L355 HydrophobicContact CD1-CD2 4.29Å; L60-L355 HydrophobicContact CD2-CD2 3.74Å; L60-I357 HydrophobicContact CD2-CD1 3.63Å
61	D	97.5	Very high	95.9	Very high	122 Å²	122	60.3 Å²	60.3	65%	0.652	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-70.9	-12.2	-177.7	-71.3	-22.1	0	0	0	113.1	C59 F63 K83	C59-D61 PolarHBondContact O-N 2.87Å; D61-F63 PolarHBondContact O-N 3.2Å; D61-K83 WeakPolarHBondContact O-CD 3.49Å; D61-K83 VanDerWaalsContact O-CE 3.29Å; D61-K83 WeakPolarHBondContact O-CE 3.49Å; D61-K83 PolarHBondContact O-NZ 3.49Å
62	D	98.3	Very high	95.4	Very high	58 Å²	58	57.7 Å²	57.7	31%	0.31	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-73.2	-8.4	174.3	-60.1	-36.9	0	0	0	112.7	C59 L60 H82 K83	C59-D62 PolarHBondContact N-OD2 2.95Å; C59-D62 WeakPolarHBondContact O-CB 3.27Å; C59-D62 PolarHBondContact O-N 3.08Å; C59-D62 PolarHBondContact SG-OD2 3.31Å; L60-D62 PolarHBondContact O-N 3.45Å; D62-H82 PolarHBondContact O-CD2 3.29Å; D62-K83 WeakPolarHBondContact O-CB 3.42Å; D62-K83 WeakPolarHBondContact O-CG 3.22Å; D62-K83 PolarHBondContact O-N 2.91Å
63	F	98.6	Very high	94.8	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.018	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	136.4	-171.1	-57.4	-86.7	0	0	0	113.3	A58 C59 L60 D61 V80 K81 H82 Y89 M91 F128 F130 V139	A58-F63 HydrophobicContact CB-CE2 3.89Å; A58-F63 HydrophobicContact CB-CZ 4.16Å; C59-F63 VanDerWaalsContact O-CD2 3.3Å; C59-F63 WeakPolarHBondContact O-CD2 3.37Å; C59-F63 WeakPolarHBondContact O-CE2 3.35Å; L60-F63 PolarHBondContact O-N 3.36Å; D61-F63 PolarHBondContact O-N 3.2Å; F63-V80 HydrophobicContact CB-CB 4.14Å; F63-V80 HydrophobicContact CB-CG2 4.37Å; F63-V80 HydrophobicContact CD1-CB 4.38Å; F63-V80 HydrophobicContact CD1-CG2 3.75Å; F63-V80 HydrophobicContact CE1-CG2 4.47Å; F63-V80 HydrophobicContact CG-CG2 4.3Å; F63-K81 CarbonylContact C-O 3.55Å; F63-K81 WeakPolarHBondContact CA-O 3.33Å; F63-H82 HydrophobicContact CD1-CB 3.97Å; F63-H82 HydrophobicContact CE1-CB 3.82Å; F63-H82 AromaticContact CE1-CD2 3.62Å; F63-H82 AromaticContact CZ-CD2 3.87Å; F63-Y89 HydrophobicContact CE1-CD2 4.23Å; F63-M91 HydrophobicContact CB-CE 3.88Å; F63-M91 HydrophobicContact CD1-CE 4.18Å; F63-M91 HydrophobicContact CD2-CE 3.46Å; F63-M91 VanDerWaalsContact CD2-CE 3.46Å; F63-M91 HydrophobicContact CE2-CE 4.02Å; F63-M91 HydrophobicContact CG-CE 3.56Å; F63-F128 HydrophobicContact CE1-CD2 4.19Å; F63-F128 HydrophobicContact CE1-CE2 4.3Å; F63-F128 AromaticContact CZ-CD2 3.73Å; F63-F128 HydrophobicContact CZ-CD2 3.73Å; F63-F128 HydrophobicContact CZ-CE2 4.11Å; F63-F128 HydrophobicContact CZ-CG 4.24Å; F63-F130 HydrophobicContact CD2-CE1 4.43Å; F63-F130 HydrophobicContact CD2-CZ 4.4Å; F63-F130 AromaticContact CE2-CE1 3.84Å; F63-F130 HydrophobicContact CE2-CE1 3.84Å; F63-F130 HydrophobicContact CE2-CZ 4.25Å; F63-V139 HydrophobicContact CE1-CG1 3.92Å; F63-V139 HydrophobicContact CE2-CG2 4.29Å; F63-V139 HydrophobicContact CZ-CG1 4.14Å; F63-V139 HydrophobicContact CZ-CG2 4.03Å
64	D	98.1	Very high	94.5	Very high	78 Å²	78	56 Å²	56	42%	0.417	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	123.5	163.6	-63.7	-43.4	0	0	0	109.2	V80 K81 K83	D64-V80 CarbonylContact O-C 3.56Å; D64-V80 WeakPolarHBondContact O-CA 3.45Å; D64-V80 WeakPolarHBondContact O-CB 3.34Å; D64-K81 HydrophobicContact CB-CB 4.49Å; D64-K81 PolarHBondContact N-O 3.13Å; D64-K81 PolarHBondContact O-N 3.31Å; D64-K83 WeakPolarHBondContact OD1-CE 3.45Å; D64-K83 IonicContact OD1-NZ 3.27Å
65	R	96.7	Very high	94.3	Very high	118 Å²	118	54.4 Å²	54.4	45%	0.445	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	127	177.8	-62.5	178.9	-62.5	-81.2	-0.9	109.9	M78 V80	R65-M78 HydrophobicContact CB-CE 3.99Å; R65-M78 HydrophobicContact CB-SD 4.46Å; R65-M78 HydrophobicContact CG-SD 4.49Å; R65-V80 HydrophobicContact CG-CG1 4.18Å
66	I	96.4	Very high	94.4	Very high	85 Å²	85	51.6 Å²	51.6	44%	0.436	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-61.5	-169.2	-61.2	164.4	0	0	0	112	L79 K81 Y88	I66-L79 HydrophobicContact CB-CB 4.43Å; I66-L79 HydrophobicContact CB-CD2 4.29Å; I66-L79 HydrophobicContact CB-CG 4.24Å; I66-L79 WeakPolarHBondContact CB-O 3.41Å; I66-L79 HydrophobicContact CD1-CD2 4.29Å; I66-L79 HydrophobicContact CD1-CG 4.12Å; I66-L79 HydrophobicContact CG2-CD2 4.09Å; I66-L79 PolarHBondContact N-O 3.45Å; I66-K81 HydrophobicContact CD1-CB 3.88Å; I66-Y88 HydrophobicContact CD1-CD1 3.77Å; I66-Y88 HydrophobicContact CD1-CE1 3.49Å; I66-Y88 VanDerWaalsContact CD1-CE1 3.49Å
67	K	95.9	Very high	94.4	Very high	36 Å²	36	49.6 Å²	49.6	16%	0.157	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	143.1	-172.9	-173.2	-166.2	171.7	-172.5	0	110.2	L69 M78 L79 A344 D348 D349 E352	K67-L69 PolarHBondContact O-N 3.43Å; K67-M78 CarbonylContact O-C 3.45Å; K67-M78 VanDerWaalsContact O-CA 3.29Å; K67-M78 WeakPolarHBondContact O-CA 3.3Å; K67-L79 PolarHBondContact O-N 3.46Å; K67-A344 HydrophobicContact CD-CB 4.25Å; K67-D348 WeakPolarHBondContact CE-O 3.4Å; K67-D348 PolarHBondContact NZ-O 3.01Å; K67-D349 WeakPolarHBondContact CE-OD1 3.3Å; K67-D349 IonicContact NZ-OD1 2.82Å; K67-D349 PolarHBondContact NZ-OD1 3.28Å; K67-E352 WeakPolarHBondContact CA-OE1 3.34Å
68	T	96.3	Very high	94.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	122	166.3	-63.4	0	0	0	0	110.1	T71 R76 V77 Y350 E352	T68-T71 HydrophobicContact CG2-CG2 3.97Å; T68-R76 HydrophobicContact CG2-CB 4.34Å; T68-R76 PolarHBondContact OG1-NH1 3.43Å; T68-V77 CarbonylContact C-O 3.55Å; T68-Y350 HydrophobicContact CG2-CD2 4.31Å; T68-Y350 HydrophobicContact CG2-CG 4.11Å; T68-E352 PolarHBondContact N-OE1 2.74Å; T68-E352 PolarHBondContact N-OE2 3.29Å; T68-E352 PolarHBondContact OG1-OE2 3.25Å
69	L	93.9	Very high	94.4	Very high	10 Å²	10	46.5 Å²	46.5	5%	0.052	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-23.2	177.9	-64.2	175.8	0	0	0	112.6	K67 V77 L79 A90 F142 A344 F347 Y350	K67-L69 PolarHBondContact O-N 3.43Å; L69-V77 HydrophobicContact CB-CG1 4.36Å; L69-V77 HydrophobicContact CD1-CG1 4.33Å; L69-V77 PolarHBondContact N-O 3.41Å; L69-L79 HydrophobicContact CD1-CB 4.05Å; L69-L79 HydrophobicContact CD2-CB 4.01Å; L69-L79 HydrophobicContact CG-CB 3.97Å; L69-A90 HydrophobicContact CD1-CB 4.08Å; L69-F142 HydrophobicContact CD1-CD2 3.8Å; L69-F142 HydrophobicContact CD1-CE2 3.69Å; L69-F142 HydrophobicContact CD2-CE2 4Å; L69-A344 HydrophobicContact CD2-CB 3.67Å; L69-F347 HydrophobicContact CB-CD1 4.09Å; L69-F347 HydrophobicContact CB-CE1 4.42Å; L69-F347 HydrophobicContact CB-CG 4.49Å; L69-F347 HydrophobicContact CD2-CB 4.17Å; L69-F347 HydrophobicContact CD2-CD1 4.2Å; L69-F347 HydrophobicContact CD2-CD2 3.9Å; L69-F347 HydrophobicContact CD2-CE2 4.33Å; L69-F347 HydrophobicContact CD2-CG 3.82Å; L69-Y350 WeakPolarHBondContact O-CE2 3.15Å
70	G	92.3	Very high	94.4	Very high	16 Å²	16	43.8 Å²	43.8	17%	0.165	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.7	155.8	-178.1	0	0	0	0	0	112	R76 V77	G70-R76 WeakPolarHBondContact O-CA 3.36Å; G70-V77 PolarHBondContact N-O 2.8Å; G70-V77 PolarHBondContact O-N 3.14Å
71	T	91.8	Very high	94.5	Very high	81 Å²	81	46.4 Å²	46.4	50%	0.497	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	140.5	178.5	57.2	0	0	0	0	110.7	T68 R76 Y350	T68-T71 HydrophobicContact CG2-CG2 3.97Å; T71-R76 HydrophobicContact CG2-CB 4.41Å; T71-Y350 HydrophobicContact CG2-CD1 3.85Å; T71-Y350 HydrophobicContact CG2-CE1 4.38Å; T71-Y350 HydrophobicContact CG2-CG 4.37Å
72	G	85.1	Confident	94.5	Very high	54 Å²	54	41.4 Å²	41.4	56%	0.557	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	179.7	174.6	0	0	0	0	0	112.1	F74 G75	G72-F74 VanDerWaalsContact C-N 3.26Å; G72-F74 PolarHBondContact O-N 3.35Å; G72-G75 PolarHBondContact N-O 3.33Å; G72-G75 PolarHBondContact O-N 3.36Å; G72-G75 VanDerWaalsContact O-O 3.08Å
73	S	82.7	Confident	94.5	Very high	81 Å²	81	44 Å²	44	57%	0.566	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-29.7	-178.5	45.1	0	0	0	0	114.5
74	F	87.3	Confident	94.5	Very high	49 Å²	49	52.3 Å²	52.3	22%	0.215	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-5.7	-174.9	-35.6	-69.7	0	0	0	113.6	G72 L94 D95 V99 L102 Q104	G72-F74 VanDerWaalsContact C-N 3.26Å; G72-F74 PolarHBondContact O-N 3.35Å; F74-L94 HydrophobicContact CB-CD2 4.15Å; F74-D95 PolarHBondContact O-N 3.4Å; F74-V99 HydrophobicContact CB-CG2 3.98Å; F74-V99 HydrophobicContact CG-CG2 4.44Å; F74-L102 HydrophobicContact CD1-CB 3.98Å; F74-L102 HydrophobicContact CD1-CD1 3.46Å; F74-L102 VanDerWaalsContact CD1-CD1 3.46Å; F74-L102 HydrophobicContact CD1-CG 4.28Å; F74-L102 HydrophobicContact CE1-CB 3.48Å; F74-L102 VanDerWaalsContact CE1-CB 3.48Å; F74-L102 HydrophobicContact CE1-CD1 3.34Å; F74-L102 HydrophobicContact CE1-CG 3.98Å; F74-Q104 HydrophobicContact CD1-CG 4.32Å; F74-Q104 HydrophobicContact CE1-CB 4.45Å; F74-Q104 HydrophobicContact CE1-CG 3.56Å; F74-Q104 HydrophobicContact CE2-CG 3.97Å; F74-Q104 HydrophobicContact CZ-CB 4.39Å; F74-Q104 HydrophobicContact CZ-CG 3.38Å
75	G	90	Very high	94.5	Very high	21 Å²	21	51.3 Å²	51.3	22%	0.216	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173	-160.9	-164.4	0	0	0	0	0	114.4	G72 I93	G72-G75 PolarHBondContact N-O 3.33Å; G72-G75 PolarHBondContact O-N 3.36Å; G72-G75 VanDerWaalsContact O-O 3.08Å; G75-I93 CarbonylContact C-O 3.58Å; G75-I93 WeakPolarHBondContact CA-O 3.46Å
76	R	95.2	Very high	94.5	Very high	30 Å²	30	47 Å²	47	11%	0.113	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	159	-176.3	61.2	177.5	58.7	-162.3	-8.8	111.3	T68 G70 T71 M78 I93 E353	T68-R76 HydrophobicContact CG2-CB 4.34Å; T68-R76 PolarHBondContact OG1-NH1 3.43Å; G70-R76 WeakPolarHBondContact O-CA 3.36Å; T71-R76 HydrophobicContact CG2-CB 4.41Å; R76-M78 HydrophobicContact CG-CG 4.24Å; R76-I93 HydrophobicContact CG-CB 4.34Å; R76-I93 HydrophobicContact CG-CD1 4.43Å; R76-I93 PolarHBondContact N-O 2.8Å; R76-I93 PolarHBondContact O-N 3.25Å; R76-E353 IonicContact CZ-OE2 3.59Å; R76-E353 VanDerWaalsContact NH1-N 3.16Å; R76-E353 PolarHBondContact NH1-O 2.97Å; R76-E353 IonicContact NH2-OE2 3.98Å; R76-E353 PolarHBondContact NH2-OE2 3.06Å
77	V	96	Very high	94.6	Very high	42 Å²	42	47 Å²	47	26%	0.255	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.3	170.8	-176.2	0	0	0	0	107.5	T68 L69 G70 A90 M91 K92	T68-V77 CarbonylContact C-O 3.55Å; L69-V77 HydrophobicContact CB-CG1 4.36Å; L69-V77 HydrophobicContact CD1-CG1 4.33Å; L69-V77 PolarHBondContact N-O 3.41Å; G70-V77 PolarHBondContact N-O 2.8Å; G70-V77 PolarHBondContact O-N 3.14Å; V77-A90 HydrophobicContact CG1-CB 3.92Å; V77-M91 CarbonylContact C-O 3.56Å; V77-M91 WeakPolarHBondContact CA-O 3.23Å; V77-K92 HydrophobicContact CG2-CB 4.2Å; V77-K92 HydrophobicContact CG2-CG 4.11Å
78	M	97.4	Very high	94.7	Very high	13 Å²	13	48.5 Å²	48.5	6%	0.064	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	139.6	178.1	-62.4	-170.7	78.9	0	0	110.9	R65 K67 R76 V80 A90 M91 I93	R65-M78 HydrophobicContact CB-CE 3.99Å; R65-M78 HydrophobicContact CB-SD 4.46Å; R65-M78 HydrophobicContact CG-SD 4.49Å; K67-M78 CarbonylContact O-C 3.45Å; K67-M78 VanDerWaalsContact O-CA 3.29Å; K67-M78 WeakPolarHBondContact O-CA 3.3Å; R76-M78 HydrophobicContact CG-CG 4.24Å; M78-V80 HydrophobicContact CB-CG1 4.26Å; M78-V80 PolarHBondContact O-N 3.28Å; M78-A90 CarbonylContact O-C 3.56Å; M78-A90 WeakPolarHBondContact O-CA 3.43Å; M78-M91 PolarHBondContact N-O 3.16Å; M78-M91 PolarHBondContact O-N 3.13Å; M78-I93 HydrophobicContact CG-CD1 4Å; M78-I93 HydrophobicContact SD-CD1 3.7Å
79	L	97.9	Very high	94.8	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.016	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	126.2	159.5	179.3	64.5	0	0	0	108.1	I66 K67 L69 Y88 Y89 F142 G342 A344	I66-L79 HydrophobicContact CB-CB 4.43Å; I66-L79 HydrophobicContact CB-CD2 4.29Å; I66-L79 HydrophobicContact CB-CG 4.24Å; I66-L79 WeakPolarHBondContact CB-O 3.41Å; I66-L79 HydrophobicContact CD1-CD2 4.29Å; I66-L79 HydrophobicContact CD1-CG 4.12Å; I66-L79 HydrophobicContact CG2-CD2 4.09Å; I66-L79 PolarHBondContact N-O 3.45Å; K67-L79 PolarHBondContact O-N 3.46Å; L69-L79 HydrophobicContact CD1-CB 4.05Å; L69-L79 HydrophobicContact CD2-CB 4.01Å; L69-L79 HydrophobicContact CG-CB 3.97Å; L79-Y88 HydrophobicContact CD1-CD1 4.02Å; L79-Y88 HydrophobicContact CD1-CG 4.47Å; L79-Y88 HydrophobicContact CG-CD1 4.35Å; L79-Y89 WeakPolarHBondContact CA-O 3.37Å; L79-F142 HydrophobicContact CD1-CB 4.37Å; L79-F142 HydrophobicContact CD1-CD1 3.79Å; L79-F142 HydrophobicContact CD1-CD2 3.82Å; L79-F142 HydrophobicContact CD1-CE1 3.97Å; L79-F142 HydrophobicContact CD1-CE2 4.02Å; L79-F142 HydrophobicContact CD1-CG 3.71Å; L79-F142 HydrophobicContact CD1-CZ 4.08Å; L79-G342 VanDerWaalsContact CD2-O 3.32Å; L79-G342 WeakPolarHBondContact CD2-O 3.14Å; L79-A344 HydrophobicContact CD2-CB 4.17Å
80	V	98.4	Very high	95	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	156	176.3	-56.7	0	0	0	0	110.5	F63 D64 R65 M78 Y88 Y89 M91	F63-V80 HydrophobicContact CB-CB 4.14Å; F63-V80 HydrophobicContact CB-CG2 4.37Å; F63-V80 HydrophobicContact CD1-CB 4.38Å; F63-V80 HydrophobicContact CD1-CG2 3.75Å; F63-V80 HydrophobicContact CE1-CG2 4.47Å; F63-V80 HydrophobicContact CG-CG2 4.3Å; D64-V80 CarbonylContact O-C 3.56Å; D64-V80 WeakPolarHBondContact O-CA 3.45Å; D64-V80 WeakPolarHBondContact O-CB 3.34Å; R65-V80 HydrophobicContact CG-CG1 4.18Å; M78-V80 HydrophobicContact CB-CG1 4.26Å; M78-V80 PolarHBondContact O-N 3.28Å; V80-Y88 CarbonylContact O-C 3.52Å; V80-Y88 VanDerWaalsContact O-CA 3.29Å; V80-Y88 WeakPolarHBondContact O-CA 3.3Å; V80-Y89 PolarHBondContact N-O 3.21Å; V80-Y89 PolarHBondContact O-N 3.37Å; V80-M91 HydrophobicContact CB-CB 4.5Å; V80-M91 HydrophobicContact CG1-CB 3.67Å; V80-M91 HydrophobicContact CG1-CE 4.12Å; V80-M91 HydrophobicContact CG1-SD 4.11Å; V80-M91 HydrophobicContact CG2-CB 3.95Å; V80-M91 HydrophobicContact CG2-CE 4.2Å
81	K	98.6	Very high	95.3	Very high	73 Å²	73	49 Å²	49	32%	0.317	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.6	170.5	-174.9	179.3	-177.7	-178.4	0	109.3	F63 D64 I66 K83 G86 N87 Y88	F63-K81 CarbonylContact C-O 3.55Å; F63-K81 WeakPolarHBondContact CA-O 3.33Å; D64-K81 HydrophobicContact CB-CB 4.49Å; D64-K81 PolarHBondContact N-O 3.13Å; D64-K81 PolarHBondContact O-N 3.31Å; I66-K81 HydrophobicContact CD1-CB 3.88Å; K81-K83 PolarHBondContact O-N 2.81Å; K81-G86 WeakPolarHBondContact CE-O 3.47Å; K81-N87 WeakPolarHBondContact CA-O 3.5Å; K81-Y88 HydrophobicContact CB-CD1 4.13Å; K81-Y88 HydrophobicContact CB-CE1 4.06Å; K81-Y88 HydrophobicContact CD-CE1 4.14Å; K81-Y88 HydrophobicContact CG-CD1 4.48Å; K81-Y88 HydrophobicContact CG-CE1 4.25Å
82	H	98.6	Very high	95.5	Very high	17 Å²	17	47 Å²	47	8%	0.079	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	121	174.1	-177.5	-123.1	0	0	0	109.2	D62 F63 Q84 S85 G86 N87 Y89	D62-H82 PolarHBondContact O-CD2 3.29Å; F63-H82 HydrophobicContact CD1-CB 3.97Å; F63-H82 HydrophobicContact CE1-CB 3.82Å; F63-H82 AromaticContact CE1-CD2 3.62Å; F63-H82 AromaticContact CZ-CD2 3.87Å; H82-Q84 VanDerWaalsContact C-N 3.33Å; H82-Q84 PolarHBondContact O-N 2.95Å; H82-S85 PolarHBondContact ND1-N 3.2Å; H82-S85 PolarHBondContact ND1-OG 3.32Å; H82-G86 VanDerWaalsContact O-CA 3.3Å; H82-G86 WeakPolarHBondContact O-CA 3.48Å; H82-G86 PolarHBondContact O-N 3.15Å; H82-N87 PolarHBondContact N-O 3.45Å; H82-Y89 HydrophobicContact CB-CD2 4.04Å; H82-Y89 HydrophobicContact CB-CE2 3.69Å
83	K	98.5	Very high	96.1	Very high	113 Å²	113	44.6 Å²	44.6	49%	0.491	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-42.1	-169.9	-71.7	175.3	179.3	171.3	0	112.5	D61 D62 D64 K81	D61-K83 WeakPolarHBondContact O-CD 3.49Å; D61-K83 VanDerWaalsContact O-CE 3.29Å; D61-K83 WeakPolarHBondContact O-CE 3.49Å; D61-K83 PolarHBondContact O-NZ 3.49Å; D62-K83 WeakPolarHBondContact O-CB 3.42Å; D62-K83 WeakPolarHBondContact O-CG 3.22Å; D62-K83 PolarHBondContact O-N 2.91Å; D64-K83 WeakPolarHBondContact OD1-CE 3.45Å; D64-K83 IonicContact OD1-NZ 3.27Å; K81-K83 PolarHBondContact O-N 2.81Å
84	Q	97.4	Very high	96.8	Very high	178 Å²	178	41.1 Å²	41.1	83%	0.832	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-46.1	-175	-170.6	-176.8	24.9	0	0	112.8	H82	H82-Q84 VanDerWaalsContact C-N 3.33Å; H82-Q84 PolarHBondContact O-N 2.95Å
85	S	97.4	Very high	97.3	Very high	58 Å²	58	40.8 Å²	40.8	41%	0.406	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-17.6	-175.6	64.9	0	0	0	0	113.8	H82 N87	H82-S85 PolarHBondContact ND1-N 3.2Å; H82-S85 PolarHBondContact ND1-OG 3.32Å; S85-N87 PolarHBondContact O-N 3.32Å; S85-N87 PolarHBondContact OG-N 3.02Å; S85-N87 PolarHBondContact OG-ND2 2.81Å
86	G	97.5	Very high	97.7	Very high	27 Å²	27	39.9 Å²	39.9	28%	0.278	20%	0.201	S	C	.	.			trans	72.5	2.2	-172.9	0	0	0	0	0	114.6	K81 H82	K81-G86 WeakPolarHBondContact CE-O 3.47Å; H82-G86 VanDerWaalsContact O-CA 3.3Å; H82-G86 WeakPolarHBondContact O-CA 3.48Å; H82-G86 PolarHBondContact O-N 3.15Å
87	N	97.8	Very high	97.8	Very high	84 Å²	84	43.6 Å²	43.6	45%	0.449	22%	0.22	S	C	.	.			trans	-73.9	146.9	-179.8	-68.5	-20.1	0	0	0	111.7	K81 H82 S85 Y89	K81-N87 WeakPolarHBondContact CA-O 3.5Å; H82-N87 PolarHBondContact N-O 3.45Å; S85-N87 PolarHBondContact O-N 3.32Å; S85-N87 PolarHBondContact OG-N 3.02Å; S85-N87 PolarHBondContact OG-ND2 2.81Å; N87-Y89 HydrophobicContact CB-CD2 4.46Å; N87-Y89 HydrophobicContact CB-CE2 3.62Å
88	Y	98.2	Very high	97.8	Very high	69 Å²	69	46.3 Å²	46.3	27%	0.271	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	141.7	175.9	-65.7	-90.3	0	0	0	111.4	I66 L79 V80 K81 P341	I66-Y88 HydrophobicContact CD1-CD1 3.77Å; I66-Y88 HydrophobicContact CD1-CE1 3.49Å; I66-Y88 VanDerWaalsContact CD1-CE1 3.49Å; L79-Y88 HydrophobicContact CD1-CD1 4.02Å; L79-Y88 HydrophobicContact CD1-CG 4.47Å; L79-Y88 HydrophobicContact CG-CD1 4.35Å; V80-Y88 CarbonylContact O-C 3.52Å; V80-Y88 VanDerWaalsContact O-CA 3.29Å; V80-Y88 WeakPolarHBondContact O-CA 3.3Å; K81-Y88 HydrophobicContact CB-CD1 4.13Å; K81-Y88 HydrophobicContact CB-CE1 4.06Å; K81-Y88 HydrophobicContact CD-CE1 4.14Å; K81-Y88 HydrophobicContact CG-CD1 4.48Å; K81-Y88 HydrophobicContact CG-CE1 4.25Å; Y88-P341 HydrophobicContact CD2-CB 3.89Å; Y88-P341 HydrophobicContact CE2-CB 3.74Å
89	Y	98.6	Very high	97.8	Very high	25 Å²	25	45.7 Å²	45.7	10%	0.098	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	159.6	-180	-63.5	-82.9	0	0	0	111.1	F63 L79 V80 H82 N87 T127 F128 V139 L140	F63-Y89 HydrophobicContact CE1-CD2 4.23Å; L79-Y89 WeakPolarHBondContact CA-O 3.37Å; V80-Y89 PolarHBondContact N-O 3.21Å; V80-Y89 PolarHBondContact O-N 3.37Å; H82-Y89 HydrophobicContact CB-CD2 4.04Å; H82-Y89 HydrophobicContact CB-CE2 3.69Å; N87-Y89 HydrophobicContact CB-CD2 4.46Å; N87-Y89 HydrophobicContact CB-CE2 3.62Å; Y89-T127 HydrophobicContact CE1-CG2 4.09Å; Y89-T127 WeakPolarHBondContact CE1-OG1 3.49Å; Y89-F128 HydrophobicContact CE1-CE2 4.43Å; Y89-F128 HydrophobicContact CE2-CE2 4.16Å; Y89-F128 AromaticContact CZ-CE2 3.98Å; Y89-V139 HydrophobicContact CD1-CG1 3.99Å; Y89-V139 HydrophobicContact CD2-CG1 4.23Å; Y89-V139 HydrophobicContact CG-CG1 3.62Å; Y89-L140 CarbonylContact C-O 3.58Å; Y89-L140 WeakPolarHBondContact CA-O 3.45Å; Y89-L140 VanDerWaalsContact CB-O 3.31Å; Y89-L140 WeakPolarHBondContact CB-O 3.43Å; Y89-L140 WeakPolarHBondContact CD1-O 3.47Å
90	A	98.1	Very high	97.8	Very high	12 Å²	12	47.8 Å²	47.8	10%	0.099	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	109.1	166.2	0	0	0	0	0	108.7	L69 V77 M78 L140	L69-A90 HydrophobicContact CD1-CB 4.08Å; V77-A90 HydrophobicContact CG1-CB 3.92Å; M78-A90 CarbonylContact O-C 3.56Å; M78-A90 WeakPolarHBondContact O-CA 3.43Å; A90-L140 PolarHBondContact N-O 3.28Å; A90-L140 PolarHBondContact O-N 3.29Å
91	M	98.3	Very high	97.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	108.2	178.1	-177.7	-177	-74.9	0	0	109.9	L60 F63 V77 M78 V80 I93 F130 Y137 M138 V139	L60-M91 HydrophobicContact CD1-CE 4.21Å; L60-M91 HydrophobicContact CD1-SD 3.85Å; F63-M91 HydrophobicContact CB-CE 3.88Å; F63-M91 HydrophobicContact CD1-CE 4.18Å; F63-M91 HydrophobicContact CD2-CE 3.46Å; F63-M91 VanDerWaalsContact CD2-CE 3.46Å; F63-M91 HydrophobicContact CE2-CE 4.02Å; F63-M91 HydrophobicContact CG-CE 3.56Å; V77-M91 CarbonylContact C-O 3.56Å; V77-M91 WeakPolarHBondContact CA-O 3.23Å; M78-M91 PolarHBondContact N-O 3.16Å; M78-M91 PolarHBondContact O-N 3.13Å; V80-M91 HydrophobicContact CB-CB 4.5Å; V80-M91 HydrophobicContact CG1-CB 3.67Å; V80-M91 HydrophobicContact CG1-CE 4.12Å; V80-M91 HydrophobicContact CG1-SD 4.11Å; V80-M91 HydrophobicContact CG2-CB 3.95Å; V80-M91 HydrophobicContact CG2-CE 4.2Å; M91-I93 HydrophobicContact CG-CD1 4.47Å; M91-I93 HydrophobicContact CG-CG1 3.88Å; M91-I93 HydrophobicContact SD-CD1 4.21Å; M91-I93 HydrophobicContact SD-CG1 4.12Å; M91-F130 HydrophobicContact CE-CE1 4.36Å; M91-F130 HydrophobicContact CE-CZ 3.92Å; M91-Y137 HydrophobicContact CG-CD1 4.18Å; M91-Y137 HydrophobicContact SD-CD1 3.72Å; M91-Y137 HydrophobicContact SD-CE1 4.29Å; M91-M138 CarbonylContact C-O 3.49Å; M91-M138 WeakPolarHBondContact CA-O 3.15Å; M91-V139 HydrophobicContact CE-CG2 3.85Å; M91-V139 HydrophobicContact CG-CG2 4.2Å
92	K	97.2	Very high	97.5	Very high	37 Å²	37	56.6 Å²	56.6	16%	0.161	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	118.3	169.6	-170.8	173.4	-174.1	-171.9	0	108.4	V77 L94 E111 Y137 M138 L140 D204	V77-K92 HydrophobicContact CG2-CB 4.2Å; V77-K92 HydrophobicContact CG2-CG 4.11Å; K92-L94 HydrophobicContact CG-CD2 4.3Å; K92-L94 HydrophobicContact CG-CG 4.39Å; K92-E111 IonicContact NZ-OE1 3.76Å; K92-E111 PolarHBondContact NZ-OE1 3.33Å; K92-E111 IonicContact NZ-OE2 3.6Å; K92-E111 PolarHBondContact NZ-OE2 3.3Å; K92-Y137 WeakPolarHBondContact O-CA 3.16Å; K92-M138 HydrophobicContact CB-CB 4.34Å; K92-M138 HydrophobicContact CD-CE 3.83Å; K92-M138 HydrophobicContact CG-CE 4.31Å; K92-M138 PolarHBondContact N-O 3.13Å; K92-M138 PolarHBondContact O-N 3.35Å; K92-L140 HydrophobicContact CB-CD1 3.97Å; K92-D204 IonicContact NZ-OD1 2.73Å
93	I	97.8	Very high	97.4	Very high	4 Å²	4	64.4 Å²	64.4	2%	0.021	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	120.5	-177.5	-50.5	174.7	0	0	0	107.9	G75 R76 M78 M91 N135 L136 Y137 L355	G75-I93 CarbonylContact C-O 3.58Å; G75-I93 WeakPolarHBondContact CA-O 3.46Å; R76-I93 HydrophobicContact CG-CB 4.34Å; R76-I93 HydrophobicContact CG-CD1 4.43Å; R76-I93 PolarHBondContact N-O 2.8Å; R76-I93 PolarHBondContact O-N 3.25Å; M78-I93 HydrophobicContact CG-CD1 4Å; M78-I93 HydrophobicContact SD-CD1 3.7Å; M91-I93 HydrophobicContact CG-CD1 4.47Å; M91-I93 HydrophobicContact CG-CG1 3.88Å; M91-I93 HydrophobicContact SD-CD1 4.21Å; M91-I93 HydrophobicContact SD-CG1 4.12Å; I93-N135 HydrophobicContact CG2-CB 4.04Å; I93-L136 WeakPolarHBondContact CA-O 3.49Å; I93-Y137 HydrophobicContact CB-CD1 4.42Å; I93-Y137 HydrophobicContact CB-CE1 4.39Å; I93-Y137 HydrophobicContact CD1-CE1 4.37Å; I93-Y137 HydrophobicContact CG1-CD1 3.95Å; I93-Y137 HydrophobicContact CG1-CE1 4.04Å; I93-Y137 HydrophobicContact CG2-CD1 4.12Å; I93-Y137 HydrophobicContact CG2-CE1 3.68Å; I93-L355 HydrophobicContact CD1-CD2 4.22Å; I93-L355 HydrophobicContact CG2-CD1 3.82Å
94	L	97.3	Very high	97.2	Very high	8 Å²	8	61 Å²	61	4%	0.042	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	126.9	-177.5	-58	171.1	0	0	0	110.6	F74 K92 K96 V99 T108 N135 L136 M138	F74-L94 HydrophobicContact CB-CD2 4.15Å; K92-L94 HydrophobicContact CG-CD2 4.3Å; K92-L94 HydrophobicContact CG-CG 4.39Å; L94-K96 PolarHBondContact O-N 3.07Å; L94-V99 HydrophobicContact CB-CG2 4.1Å; L94-T108 HydrophobicContact CD1-CG2 3.6Å; L94-N135 CarbonylContact O-C 3.47Å; L94-N135 WeakPolarHBondContact O-CA 3.45Å; L94-L136 HydrophobicContact CB-CB 4.25Å; L94-L136 PolarHBondContact N-O 3.45Å; L94-L136 PolarHBondContact O-N 3.04Å; L94-M138 HydrophobicContact CD1-CE 3.53Å
95	D	97.4	Very high	97.1	Very high	43 Å²	43	54.1 Å²	54.1	23%	0.23	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	118.3	175.6	175.6	-43.2	0	0	0	109.8	F74 Q97 K98 V99	F74-D95 PolarHBondContact O-N 3.4Å; D95-Q97 VanDerWaalsContact C-N 3.29Å; D95-Q97 PolarHBondContact O-N 3.03Å; D95-Q97 WeakPolarHBondContact OD1-CA 3.42Å; D95-Q97 WeakPolarHBondContact OD1-CB 3.43Å; D95-Q97 PolarHBondContact OD1-N 3.45Å; D95-K98 HydrophobicContact CB-CB 3.98Å; D95-K98 HydrophobicContact CB-CD 3.89Å; D95-K98 HydrophobicContact CB-CG 3.9Å; D95-K98 PolarHBondContact O-N 2.86Å; D95-K98 VanDerWaalsContact O-N 3.16Å; D95-K98 PolarHBondContact OD1-N 3.46Å; D95-V99 WeakPolarHBondContact O-CG2 3.36Å; D95-V99 PolarHBondContact O-N 2.93Å
96	K	98	Very high	97	Very high	1 Å²	1	57.9 Å²	57.9	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-56.2	-42.5	-176.9	-73.2	-179.6	177.1	175.3	0	112.4	L94 V99 V100 D132 S134 L136 E361 K362 C363 F367	L94-K96 PolarHBondContact O-N 3.07Å; K96-V99 PolarHBondContact O-N 3.4Å; K96-V100 WeakPolarHBondContact O-CG2 3.3Å; K96-V100 PolarHBondContact O-N 2.89Å; K96-D132 VanDerWaalsContact CE-O 3.28Å; K96-D132 WeakPolarHBondContact CE-O 3.3Å; K96-D132 PolarHBondContact NZ-O 2.66Å; K96-S134 WeakPolarHBondContact CB-O 3.46Å; K96-S134 WeakPolarHBondContact CG-O 3.4Å; K96-S134 PolarHBondContact N-O 3.25Å; K96-L136 HydrophobicContact CD-CD2 4.21Å; K96-L136 VanDerWaalsContact CE-CD2 3.42Å; K96-L136 HydrophobicContact CG-CD1 4.48Å; K96-L136 HydrophobicContact CG-CD2 3.87Å; K96-L136 HydrophobicContact CG-CG 3.82Å; K96-E361 IonicContact NZ-OE1 3.96Å; K96-E361 PolarHBondContact NZ-OE1 2.95Å; K96-E361 IonicContact NZ-OE2 2.73Å; K96-K362 WeakPolarHBondContact CD-O 3.49Å; K96-C363 HydrophobicContact CB-CB 4.06Å; K96-F367 HydrophobicContact CB-CD2 3.95Å; K96-F367 HydrophobicContact CB-CE2 3.65Å; K96-F367 HydrophobicContact CD-CD2 3.94Å; K96-F367 HydrophobicContact CD-CE2 4.5Å; K96-F367 HydrophobicContact CG-CD2 3.69Å; K96-F367 HydrophobicContact CG-CE2 3.83Å
97	Q	97.2	Very high	96.8	Very high	109 Å²	109	58.5 Å²	58.5	51%	0.509	28%	0.276	S	S	.	.	H	α-helix	trans	-69.4	-38.9	-178.4	-59.6	-171.5	-95.2	0	0	111	D95 V100 K101 K362	D95-Q97 VanDerWaalsContact C-N 3.29Å; D95-Q97 PolarHBondContact O-N 3.03Å; D95-Q97 WeakPolarHBondContact OD1-CA 3.42Å; D95-Q97 WeakPolarHBondContact OD1-CB 3.43Å; D95-Q97 PolarHBondContact OD1-N 3.45Å; Q97-V100 PolarHBondContact O-N 3.4Å; Q97-K101 VanDerWaalsContact O-CB 3.25Å; Q97-K101 WeakPolarHBondContact O-CB 3.3Å; Q97-K101 PolarHBondContact O-N 3.2Å; Q97-K362 HydrophobicContact CG-CB 4.06Å; Q97-K362 HydrophobicContact CG-CG 4.34Å
98	K	96.9	Very high	96.7	Very high	98 Å²	98	54.8 Å²	54.8	43%	0.426	26%	0.257	S	S	.	.	H	α-helix	trans	-64.5	-43.1	174.4	-68	-176.1	-170.7	176.2	0	111.7	D95 V100 K101 L102	D95-K98 HydrophobicContact CB-CB 3.98Å; D95-K98 HydrophobicContact CB-CD 3.89Å; D95-K98 HydrophobicContact CB-CG 3.9Å; D95-K98 PolarHBondContact O-N 2.86Å; D95-K98 VanDerWaalsContact O-N 3.16Å; D95-K98 PolarHBondContact OD1-N 3.46Å; K98-V100 PolarHBondContact O-N 3.44Å; K98-K101 PolarHBondContact O-N 2.67Å; K98-L102 WeakPolarHBondContact O-CB 3.22Å; K98-L102 PolarHBondContact O-N 2.91Å
99	V	97.3	Very high	96.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60	-45.2	177	174	0	0	0	0	110.8	F74 L94 D95 K96 K103 Q104 V105 T108 F367	F74-V99 HydrophobicContact CB-CG2 3.98Å; F74-V99 HydrophobicContact CG-CG2 4.44Å; L94-V99 HydrophobicContact CB-CG2 4.1Å; D95-V99 WeakPolarHBondContact O-CG2 3.36Å; D95-V99 PolarHBondContact O-N 2.93Å; K96-V99 PolarHBondContact O-N 3.4Å; V99-K103 PolarHBondContact O-N 2.88Å; V99-Q104 HydrophobicContact CG1-CB 3.99Å; V99-Q104 PolarHBondContact O-N 3.09Å; V99-V105 HydrophobicContact CG1-CG2 4.42Å; V99-T108 WeakPolarHBondContact CG1-OG1 3.36Å; V99-F367 HydrophobicContact CB-CE1 4.5Å; V99-F367 HydrophobicContact CB-CZ 3.82Å; V99-F367 HydrophobicContact CG1-CE1 3.8Å; V99-F367 HydrophobicContact CG1-CZ 3.5Å; V99-F367 VanDerWaalsContact CG1-CZ 3.5Å
100	V	97.3	Very high	96.5	Very high	47 Å²	47	53.6 Å²	53.6	29%	0.285	26%	0.256	S	S	.	.	H	α-helix	trans	-64.3	-48.8	175.9	172.4	0	0	0	0	111.4	K96 Q97 K98 L102 K103 V105 C363 E366 F367	K96-V100 WeakPolarHBondContact O-CG2 3.3Å; K96-V100 PolarHBondContact O-N 2.89Å; Q97-V100 PolarHBondContact O-N 3.4Å; K98-V100 PolarHBondContact O-N 3.44Å; V100-L102 PolarHBondContact O-N 3.32Å; V100-K103 PolarHBondContact O-N 3.12Å; V100-V105 HydrophobicContact CB-CG2 4.43Å; V100-V105 HydrophobicContact CG2-CG2 3.76Å; V100-C363 HydrophobicContact CG2-CB 4.03Å; V100-E366 HydrophobicContact CG2-CB 4.14Å; V100-E366 HydrophobicContact CG2-CG 3.99Å; V100-F367 HydrophobicContact CG2-CE2 3.75Å; V100-F367 HydrophobicContact CG2-CZ 3.96Å
101	K	96.6	Very high	96.4	Very high	176 Å²	176	53.4 Å²	53.4	77%	0.765	25%	0.253	S	S	*	.	H	α-helix	trans	-56.5	-38.8	-179.4	-178.4	178.8	178	-178.5	0	112.3	Q97 K98 K103	Q97-K101 VanDerWaalsContact O-CB 3.25Å; Q97-K101 WeakPolarHBondContact O-CB 3.3Å; Q97-K101 PolarHBondContact O-N 3.2Å; K98-K101 PolarHBondContact O-N 2.67Å; K101-K103 VanDerWaalsContact C-N 3.32Å
102	L	94.7	Very high	96.4	Very high	82 Å²	82	53.6 Å²	53.6	43%	0.429	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	12.4	-178.9	-64	170.7	0	0	0	113.3	F74 K98 V100 Q104	F74-L102 HydrophobicContact CD1-CB 3.98Å; F74-L102 HydrophobicContact CD1-CD1 3.46Å; F74-L102 VanDerWaalsContact CD1-CD1 3.46Å; F74-L102 HydrophobicContact CD1-CG 4.28Å; F74-L102 HydrophobicContact CE1-CB 3.48Å; F74-L102 VanDerWaalsContact CE1-CB 3.48Å; F74-L102 HydrophobicContact CE1-CD1 3.34Å; F74-L102 HydrophobicContact CE1-CG 3.98Å; K98-L102 WeakPolarHBondContact O-CB 3.22Å; K98-L102 PolarHBondContact O-N 2.91Å; V100-L102 PolarHBondContact O-N 3.32Å; L102-Q104 VanDerWaalsContact C-N 3.3Å; L102-Q104 HydrophobicContact CB-CG 4.4Å; L102-Q104 WeakPolarHBondContact O-CG 3.23Å; L102-Q104 PolarHBondContact O-N 3.15Å; L102-Q104 PolarHBondContact O-NE2 2.91Å; L102-Q104 VanDerWaalsContact O-NE2 3.12Å
103	K	95.1	Very high	96.4	Very high	182 Å²	182	55.8 Å²	55.8	79%	0.791	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	38.2	174.7	-57.3	179.8	179.4	-179.9	0	113.6	V99 V100 K101	V99-K103 PolarHBondContact O-N 2.88Å; V100-K103 PolarHBondContact O-N 3.12Å; K101-K103 VanDerWaalsContact C-N 3.32Å
104	Q	95.1	Very high	96.4	Very high	42 Å²	42	55.6 Å²	55.6	20%	0.196	26%	0.261	C	S	.	.			trans	-105.1	15.7	-178.2	-62.4	-55.2	-51.8	0	0	114.1	F74 V99 L102 E106 H107 T108	F74-Q104 HydrophobicContact CD1-CG 4.32Å; F74-Q104 HydrophobicContact CE1-CB 4.45Å; F74-Q104 HydrophobicContact CE1-CG 3.56Å; F74-Q104 HydrophobicContact CE2-CG 3.97Å; F74-Q104 HydrophobicContact CZ-CB 4.39Å; F74-Q104 HydrophobicContact CZ-CG 3.38Å; V99-Q104 HydrophobicContact CG1-CB 3.99Å; V99-Q104 PolarHBondContact O-N 3.09Å; L102-Q104 VanDerWaalsContact C-N 3.3Å; L102-Q104 HydrophobicContact CB-CG 4.4Å; L102-Q104 WeakPolarHBondContact O-CG 3.23Å; L102-Q104 PolarHBondContact O-N 3.15Å; L102-Q104 PolarHBondContact O-NE2 2.91Å; L102-Q104 VanDerWaalsContact O-NE2 3.12Å; Q104-E106 PolarHBondContact O-N 3.12Å; Q104-H107 PolarHBondContact O-N 2.89Å; Q104-H107 PolarHBondContact OE1-ND1 2.91Å; Q104-T108 WeakPolarHBondContact O-CB 3.49Å; Q104-T108 PolarHBondContact O-N 3.04Å; Q104-T108 PolarHBondContact O-OG1 2.89Å
105	V	96.3	Very high	96.5	Very high	33 Å²	33	55.4 Å²	55.4	20%	0.2	26%	0.259	C	S	.	.	H	α-helix	trans	-57.5	-52.9	-178.1	178.7	0	0	0	0	111.2	V99 V100 H107 T108 L109 E366 F367	V99-V105 HydrophobicContact CG1-CG2 4.42Å; V100-V105 HydrophobicContact CB-CG2 4.43Å; V100-V105 HydrophobicContact CG2-CG2 3.76Å; V105-H107 PolarHBondContact O-N 2.87Å; V105-T108 PolarHBondContact O-N 2.86Å; V105-L109 HydrophobicContact CG1-CD1 4Å; V105-L109 WeakPolarHBondContact O-CG 3.38Å; V105-L109 PolarHBondContact O-N 3.23Å; V105-E366 HydrophobicContact CG1-CB 4.15Å; V105-E366 WeakPolarHBondContact CG1-O 3.41Å; V105-E366 HydrophobicContact CG2-CB 4.34Å; V105-F367 HydrophobicContact CB-CE1 4.37Å; V105-F367 HydrophobicContact CG1-CD1 4.45Å; V105-F367 HydrophobicContact CG1-CE1 4.01Å; V105-F367 HydrophobicContact CG2-CE1 4.24Å; V105-F367 HydrophobicContact CG2-CZ 3.99Å
106	E	94.3	Very high	96.5	Very high	136 Å²	136	54.6 Å²	54.6	64%	0.636	25%	0.254	S	S	*	.	H	α-helix	trans	-61.9	-45	-179.1	-170.7	-172.9	159	0	0	111.6	Q104 T108 L109 N110	Q104-E106 PolarHBondContact O-N 3.12Å; E106-T108 VanDerWaalsContact C-N 3.34Å; E106-T108 PolarHBondContact O-N 3.31Å; E106-L109 PolarHBondContact O-N 3.21Å; E106-N110 WeakPolarHBondContact O-CB 3Å; E106-N110 PolarHBondContact O-N 2.93Å
107	H	93	Very high	96.5	Very high	41 Å²	41	54.6 Å²	54.6	19%	0.19	26%	0.255	C	S	.	.	H	α-helix	trans	-62.1	-40.6	177.9	-68.3	159.2	0	0	0	112.2	Q104 V105 N110 E111	Q104-H107 PolarHBondContact O-N 2.89Å; Q104-H107 PolarHBondContact OE1-ND1 2.91Å; V105-H107 PolarHBondContact O-N 2.87Å; H107-N110 PolarHBondContact O-N 3.36Å; H107-E111 VanDerWaalsContact O-CB 3.27Å; H107-E111 WeakPolarHBondContact O-CB 3.49Å; H107-E111 PolarHBondContact O-N 3.17Å
108	T	96.2	Very high	96.5	Very high	6 Å²	6	49.7 Å²	49.7	4%	0.037	23%	0.232	C	C	.	.	H	α-helix	trans	-68.3	-45.3	179.9	-56.8	0	0	0	0	111.8	L94 V99 Q104 V105 E106 N110 E111 K112 L136 F370	L94-T108 HydrophobicContact CD1-CG2 3.6Å; V99-T108 WeakPolarHBondContact CG1-OG1 3.36Å; Q104-T108 WeakPolarHBondContact O-CB 3.49Å; Q104-T108 PolarHBondContact O-N 3.04Å; Q104-T108 PolarHBondContact O-OG1 2.89Å; V105-T108 PolarHBondContact O-N 2.86Å; E106-T108 VanDerWaalsContact C-N 3.34Å; E106-T108 PolarHBondContact O-N 3.31Å; T108-N110 VanDerWaalsContact C-N 3.33Å; T108-E111 PolarHBondContact O-N 3.43Å; T108-K112 PolarHBondContact O-N 2.96Å; T108-K112 VanDerWaalsContact O-N 3.1Å; T108-L136 HydrophobicContact CG2-CD1 3.66Å; T108-F370 HydrophobicContact CG2-CD2 4.42Å; T108-F370 HydrophobicContact CG2-CE2 4.06Å
109	L	96.9	Very high	96.5	Very high	39 Å²	39	48.9 Å²	48.9	20%	0.204	23%	0.232	C	C	.	.	H	α-helix	trans	-62.9	-43	176.1	-70.3	173.7	0	0	0	111.1	V105 E106 R113 F367 F370	V105-L109 HydrophobicContact CG1-CD1 4Å; V105-L109 WeakPolarHBondContact O-CG 3.38Å; V105-L109 PolarHBondContact O-N 3.23Å; E106-L109 PolarHBondContact O-N 3.21Å; L109-R113 VanDerWaalsContact O-CB 3.23Å; L109-R113 WeakPolarHBondContact O-CB 3.28Å; L109-R113 PolarHBondContact O-N 3.34Å; L109-F367 HydrophobicContact CD2-CD1 4.35Å; L109-F370 HydrophobicContact CD2-CB 3.82Å; L109-F370 HydrophobicContact CD2-CD2 4.2Å
110	N	95.6	Very high	96.6	Very high	29 Å²	29	49.2 Å²	49.2	16%	0.155	23%	0.234	C	C	.	.	H	α-helix	trans	-69.7	-38.9	179.6	176.5	83	0	0	0	112.2	E106 H107 T108 R113 I114 A208	E106-N110 WeakPolarHBondContact O-CB 3Å; E106-N110 PolarHBondContact O-N 2.93Å; H107-N110 PolarHBondContact O-N 3.36Å; T108-N110 VanDerWaalsContact C-N 3.33Å; N110-R113 PolarHBondContact O-N 2.69Å; N110-I114 VanDerWaalsContact ND2-CD1 3.35Å; N110-I114 WeakPolarHBondContact ND2-CD1 3.14Å; N110-I114 WeakPolarHBondContact O-CB 3.47Å; N110-I114 VanDerWaalsContact O-CG1 3.25Å; N110-I114 WeakPolarHBondContact O-CG1 3.18Å; N110-I114 PolarHBondContact O-N 3.32Å; N110-A208 PolarHBondContact ND2-O 2.98Å
111	E	96.9	Very high	96.6	Very high	9 Å²	9	48.5 Å²	48.5	4%	0.042	23%	0.23	C	C	.	.	H	α-helix	trans	-55.8	-54.8	172.2	178.2	175.4	-154.2	0	0	110.4	K92 H107 T108 R113 I114 L115 M138 F205	K92-E111 IonicContact NZ-OE1 3.76Å; K92-E111 PolarHBondContact NZ-OE1 3.33Å; K92-E111 IonicContact NZ-OE2 3.6Å; K92-E111 PolarHBondContact NZ-OE2 3.3Å; H107-E111 VanDerWaalsContact O-CB 3.27Å; H107-E111 WeakPolarHBondContact O-CB 3.49Å; H107-E111 PolarHBondContact O-N 3.17Å; T108-E111 PolarHBondContact O-N 3.43Å; E111-R113 VanDerWaalsContact C-N 3.29Å; E111-R113 PolarHBondContact O-N 3.28Å; E111-I114 PolarHBondContact O-N 3.43Å; E111-L115 HydrophobicContact CG-CD1 3.78Å; E111-L115 HydrophobicContact CG-CG 4.43Å; E111-L115 WeakPolarHBondContact O-CB 3.41Å; E111-L115 WeakPolarHBondContact O-CG 3.34Å; E111-L115 PolarHBondContact O-N 3.19Å; E111-M138 HydrophobicContact CG-SD 4.4Å; E111-F205 HydrophobicContact CG-CB 4.06Å; E111-F205 PolarHBondContact OE1-N 2.89Å
112	K	97.6	Very high	96.7	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.017	19%	0.193	C	C	.	.	H	α-helix	trans	-58.1	-43.5	177.9	-176.2	-92.2	173.9	165.4	0	111.4	A54 T108 I114 L115 Q116 M126 S129 M138 F370	A54-K112 PolarHBondContact O-NZ 3.15Å; T108-K112 PolarHBondContact O-N 2.96Å; T108-K112 VanDerWaalsContact O-N 3.1Å; K112-I114 VanDerWaalsContact C-N 3.34Å; K112-I114 PolarHBondContact O-N 2.87Å; K112-L115 PolarHBondContact O-N 3.5Å; K112-Q116 WeakPolarHBondContact O-CG 3.49Å; K112-Q116 PolarHBondContact O-N 3Å; K112-Q116 VanDerWaalsContact O-N 3.11Å; K112-M126 HydrophobicContact CG-CE 4.12Å; K112-M126 HydrophobicContact CG-SD 4.41Å; K112-S129 WeakPolarHBondContact CE-OG 3.47Å; K112-M138 HydrophobicContact CB-SD 3.93Å; K112-M138 HydrophobicContact CG-CG 4.41Å; K112-M138 HydrophobicContact CG-SD 4.37Å; K112-F370 HydrophobicContact CB-CD2 4.33Å; K112-F370 HydrophobicContact CB-CE2 3.85Å; K112-F370 HydrophobicContact CB-CZ 4.3Å; K112-F370 WeakPolarHBondContact CD-OXT 3.44Å; K112-F370 WeakPolarHBondContact CE-OXT 2.96Å; K112-F370 HydrophobicContact CG-CD2 4.37Å; K112-F370 HydrophobicContact CG-CE1 4.41Å; K112-F370 HydrophobicContact CG-CE2 3.93Å; K112-F370 HydrophobicContact CG-CZ 3.95Å; K112-F370 PolarHBondContact NZ-OXT 3.01Å
113	R	97.5	Very high	96.9	Very high	83 Å²	83	36.2 Å²	36.2	31%	0.313	17%	0.173	S	C	.	.	H	α-helix	trans	-65.9	-35.5	-178.5	-166.6	179.4	-176.8	159.8	4.2	112.9	W50 L109 N110 E111 Q116 A117	W50-R113 HydrophobicContact CD2-CG 4.25Å; W50-R113 HydrophobicContact CE3-CG 3.83Å; W50-R113 HydrophobicContact CH2-CB 4.3Å; W50-R113 HydrophobicContact CH2-CG 3.89Å; W50-R113 HydrophobicContact CZ2-CG 4.29Å; W50-R113 HydrophobicContact CZ3-CB 4.07Å; W50-R113 HydrophobicContact CZ3-CG 3.63Å; W50-R113 PolarHBondContact O-NE 2.9Å; W50-R113 PolarHBondContact O-NH2 3.46Å; L109-R113 VanDerWaalsContact O-CB 3.23Å; L109-R113 WeakPolarHBondContact O-CB 3.28Å; L109-R113 PolarHBondContact O-N 3.34Å; N110-R113 PolarHBondContact O-N 2.69Å; E111-R113 VanDerWaalsContact C-N 3.29Å; E111-R113 PolarHBondContact O-N 3.28Å; R113-Q116 VanDerWaalsContact O-CG 3.3Å; R113-Q116 WeakPolarHBondContact O-CG 3.42Å; R113-A117 WeakPolarHBondContact O-CB 3.22Å
114	I	98	Very high	97	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-70.6	-51.6	174	-69.4	169.7	0	0	0	109.7	W50 N110 E111 K112 Q116 A117 I118 L182 F205 A208	W50-I114 HydrophobicContact CH2-CG1 4.07Å; W50-I114 HydrophobicContact CZ3-CB 4.42Å; W50-I114 HydrophobicContact CZ3-CG1 3.61Å; N110-I114 VanDerWaalsContact ND2-CD1 3.35Å; N110-I114 WeakPolarHBondContact ND2-CD1 3.14Å; N110-I114 WeakPolarHBondContact O-CB 3.47Å; N110-I114 VanDerWaalsContact O-CG1 3.25Å; N110-I114 WeakPolarHBondContact O-CG1 3.18Å; N110-I114 PolarHBondContact O-N 3.32Å; E111-I114 PolarHBondContact O-N 3.43Å; K112-I114 VanDerWaalsContact C-N 3.34Å; K112-I114 PolarHBondContact O-N 2.87Å; I114-Q116 VanDerWaalsContact C-N 3.31Å; I114-Q116 PolarHBondContact O-N 3.02Å; I114-A117 PolarHBondContact O-N 3Å; I114-I118 HydrophobicContact CG2-CD1 4.24Å; I114-I118 HydrophobicContact CG2-CG2 3.93Å; I114-I118 WeakPolarHBondContact O-CG1 3.39Å; I114-I118 PolarHBondContact O-N 2.9Å; I114-L182 HydrophobicContact CD1-CD2 3.85Å; I114-L182 HydrophobicContact CG1-CD2 3.88Å; I114-L182 HydrophobicContact CG2-CD1 4.08Å; I114-L182 HydrophobicContact CG2-CD2 4.45Å; I114-F205 HydrophobicContact CG2-CD1 3.69Å; I114-F205 HydrophobicContact CG2-CE1 4.27Å; I114-F205 HydrophobicContact CG2-CG 4.35Å; I114-A208 HydrophobicContact CD1-CB 3.56Å
115	L	98	Very high	97.1	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.016	14%	0.141	C	C	.	.	H	α-helix	trans	-58	-37.3	-175.3	-79.8	172	0	0	0	113.9	E111 K112 A117 I118 V124 M126 M138 L140 F205	E111-L115 HydrophobicContact CG-CD1 3.78Å; E111-L115 HydrophobicContact CG-CG 4.43Å; E111-L115 WeakPolarHBondContact O-CB 3.41Å; E111-L115 WeakPolarHBondContact O-CG 3.34Å; E111-L115 PolarHBondContact O-N 3.19Å; K112-L115 PolarHBondContact O-N 3.5Å; L115-A117 VanDerWaalsContact C-N 3.28Å; L115-A117 PolarHBondContact O-N 3.13Å; L115-I118 HydrophobicContact CD2-CD1 4.34Å; L115-V124 HydrophobicContact CD2-CG1 3.93Å; L115-M126 HydrophobicContact CB-CB 3.99Å; L115-M126 HydrophobicContact CB-CE 4.16Å; L115-M126 HydrophobicContact CB-SD 4.02Å; L115-M126 HydrophobicContact CD1-SD 4.43Å; L115-M138 HydrophobicContact CD1-SD 3.98Å; L115-L140 HydrophobicContact CD1-CD2 4.05Å; L115-L140 HydrophobicContact CD2-CD2 4.18Å; L115-F205 HydrophobicContact CD2-CB 4.45Å; L115-F205 HydrophobicContact CD2-CD2 3.56Å; L115-F205 HydrophobicContact CD2-CE2 4Å; L115-F205 HydrophobicContact CD2-CG 4.14Å; L115-F205 HydrophobicContact CG-CB 4.29Å; L115-F205 HydrophobicContact CG-CD2 4.3Å; L115-F205 HydrophobicContact CG-CG 4.46Å
116	Q	97.2	Very high	97.2	Very high	27 Å²	27	27.9 Å²	27.9	13%	0.126	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-19.9	176.1	67.7	-172.4	-0.4	0	0	113.5	A54 K112 R113 I114 M126	A54-Q116 PolarHBondContact O-OE1 3.39Å; K112-Q116 WeakPolarHBondContact O-CG 3.49Å; K112-Q116 PolarHBondContact O-N 3Å; K112-Q116 VanDerWaalsContact O-N 3.11Å; R113-Q116 VanDerWaalsContact O-CG 3.3Å; R113-Q116 WeakPolarHBondContact O-CG 3.42Å; I114-Q116 VanDerWaalsContact C-N 3.31Å; I114-Q116 PolarHBondContact O-N 3.02Å; Q116-M126 HydrophobicContact CB-CE 3.48Å; Q116-M126 VanDerWaalsContact CB-CE 3.48Å
117	A	97.9	Very high	97.3	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.008	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-26.1	-170.8	0	0	0	0	0	113	F46 R49 W50 R113 I114 L115	F46-A117 HydrophobicContact CD2-CB 3.62Å; F46-A117 WeakPolarHBondContact CD2-O 3.5Å; F46-A117 HydrophobicContact CE2-CB 3.53Å; F46-A117 HydrophobicContact CZ-CB 4.44Å; R49-A117 HydrophobicContact CB-CB 4Å; W50-A117 HydrophobicContact CB-CB 4.27Å; W50-A117 HydrophobicContact CE3-CB 4.14Å; R113-A117 WeakPolarHBondContact O-CB 3.22Å; I114-A117 PolarHBondContact O-N 3Å; L115-A117 VanDerWaalsContact C-N 3.28Å; L115-A117 PolarHBondContact O-N 3.13Å
118	I	98.2	Very high	97.6	Very high	6 Å²	6	24.2 Å²	24.2	3%	0.031	12%	0.124	C	C	.	.			trans	-81.1	154.4	177	63.3	178.1	0	0	0	112	F46 I114 L115 L123 Y176 L177 L180 L182 F205	F46-I118 HydrophobicContact CD2-CG2 4.19Å; F46-I118 HydrophobicContact CE2-CG2 4.06Å; I114-I118 HydrophobicContact CG2-CD1 4.24Å; I114-I118 HydrophobicContact CG2-CG2 3.93Å; I114-I118 WeakPolarHBondContact O-CG1 3.39Å; I114-I118 PolarHBondContact O-N 2.9Å; L115-I118 HydrophobicContact CD2-CD1 4.34Å; I118-L123 HydrophobicContact CB-CD1 4.38Å; I118-L123 HydrophobicContact CD1-CB 4.33Å; I118-L123 HydrophobicContact CD1-CD1 3.95Å; I118-Y176 WeakPolarHBondContact CA-OH 3.47Å; I118-Y176 HydrophobicContact CB-CE1 4.17Å; I118-Y176 HydrophobicContact CG2-CE1 4.31Å; I118-L177 HydrophobicContact CG2-CD2 4.16Å; I118-L180 HydrophobicContact CG2-CD1 4.37Å; I118-L182 HydrophobicContact CG2-CD1 3.71Å; I118-F205 HydrophobicContact CD1-CD1 4.23Å; I118-F205 HydrophobicContact CD1-CE1 3.62Å; I118-F205 HydrophobicContact CD1-CE2 4Å; I118-F205 HydrophobicContact CD1-CZ 3.46Å; I118-F205 VanDerWaalsContact CD1-CZ 3.46Å
119	D	97.4	Very high	97.7	Very high	80 Å²	80	24.1 Å²	24.1	43%	0.428	12%	0.123	S	C	.	.			trans	-159	100.7	-179.8	-164.5	-11.2	0	0	0	109.3	R49 Y176	R49-D119 IonicContact CZ-OD2 3.97Å; R49-D119 IonicContact NH1-OD2 2.74Å; R49-D119 PolarHBondContact NH1-OD2 3.42Å; R49-D119 IonicContact NH2-OD2 2.6Å; R49-D119 PolarHBondContact NH2-OD2 2.92Å; D119-Y176 PolarHBondContact N-OH 2.93Å; D119-Y176 WeakPolarHBondContact O-CE2 3.26Å; D119-Y176 PolarHBondContact O-OH 3.33Å
120	F	98.2	Very high	97.8	Very high	8 Å²	8	22.6 Å²	22.6	4%	0.035	12%	0.115	C	C	.	.			trans	-156.7	142.3	-176.7	-161.9	-105.5	0	0	0	111	F38 F122 L123 L172 A173 Y176 Y326	F38-F120 HydrophobicContact CE1-CD2 4.38Å; F38-F120 AromaticContact CE1-CE2 3.87Å; F38-F120 HydrophobicContact CE1-CE2 3.87Å; F38-F120 HydrophobicContact CZ-CD2 4.22Å; F38-F120 HydrophobicContact CZ-CE2 4.01Å; F120-F122 HydrophobicContact CD1-CD2 4.31Å; F120-F122 AromaticContact CE1-CD2 3.74Å; F120-F122 HydrophobicContact CE1-CD2 3.74Å; F120-F122 HydrophobicContact CE1-CE2 4.26Å; F120-F122 PolarHBondContact O-N 3.02Å; F120-L123 HydrophobicContact CB-CB 4.38Å; F120-L123 HydrophobicContact CB-CD1 3.71Å; F120-L123 HydrophobicContact CB-CG 3.84Å; F120-L123 HydrophobicContact CD1-CG 4.29Å; F120-L123 PolarHBondContact O-N 2.63Å; F120-L172 HydrophobicContact CE1-CB 4.13Å; F120-L172 HydrophobicContact CZ-CB 4.07Å; F120-L172 WeakPolarHBondContact CZ-O 3.39Å; F120-A173 HydrophobicContact CD1-CB 4.39Å; F120-A173 HydrophobicContact CE1-CB 4.32Å; F120-Y176 HydrophobicContact CB-CD1 3.79Å; F120-Y176 HydrophobicContact CB-CD2 4.27Å; F120-Y176 HydrophobicContact CB-CE1 3.81Å; F120-Y176 HydrophobicContact CB-CE2 4.23Å; F120-Y176 HydrophobicContact CB-CG 4.04Å; F120-Y176 HydrophobicContact CD1-CD1 4.5Å; F120-Y176 HydrophobicContact CD1-CG 4.35Å; F120-Y176 HydrophobicContact CD2-CD1 4.07Å; F120-Y176 AromaticContact CD2-CD2 3.31Å; F120-Y176 HydrophobicContact CD2-CD2 3.31Å; F120-Y176 AromaticContact CD2-CE2 3.87Å; F120-Y176 HydrophobicContact CD2-CE2 3.87Å; F120-Y176 AromaticContact CD2-CG 3.41Å; F120-Y176 HydrophobicContact CD2-CG 3.41Å; F120-Y176 VanDerWaalsContact CD2-CG 3.41Å; F120-Y176 AromaticContact CE2-CD2 3.87Å; F120-Y176 HydrophobicContact CE2-CD2 3.87Å; F120-Y176 AromaticContact CE2-CG 3.92Å; F120-Y176 HydrophobicContact CE2-CG 3.92Å; F120-Y176 AromaticContact CG-CD1 3.87Å; F120-Y176 HydrophobicContact CG-CD1 3.87Å; F120-Y176 AromaticContact CG-CD2 3.98Å; F120-Y176 HydrophobicContact CG-CD2 3.98Å; F120-Y176 HydrophobicContact CG-CE1 4.36Å; F120-Y176 HydrophobicContact CG-CE2 4.4Å; F120-Y176 AromaticContact CG-CG 3.67Å; F120-Y176 HydrophobicContact CG-CG 3.67Å; F120-Y326 HydrophobicContact CD2-CE2 4.32Å; F120-Y326 HydrophobicContact CE2-CD2 4.09Å; F120-Y326 AromaticContact CE2-CE2 3.62Å; F120-Y326 HydrophobicContact CE2-CE2 3.62Å; F120-Y326 AromaticContact CZ-CD2 3.93Å; F120-Y326 HydrophobicContact CZ-CD2 3.93Å; F120-Y326 AromaticContact CZ-CE2 3.95Å; F120-Y326 HydrophobicContact CZ-CE2 3.95Å
121	P	97.7	Very high	97.9	Very high	32 Å²	32	23.5 Å²	23.5	21%	0.208	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-24	-168.1	19.7	-33.9	0	0	0	115.5	K201 Y326	P121-K201 WeakPolarHBondContact O-CE 3.34Å; P121-K201 PolarHBondContact O-NZ 3.25Å; P121-Y326 HydrophobicContact CG-CD2 3.76Å; P121-Y326 HydrophobicContact CG-CE2 3.55Å
122	F	98.7	Very high	97.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	8	-179.5	-45.8	-46.5	0	0	0	113.6	F120 Q169 L172 Y199 L200 K201 I202 I325 K328	F120-F122 HydrophobicContact CD1-CD2 4.31Å; F120-F122 AromaticContact CE1-CD2 3.74Å; F120-F122 HydrophobicContact CE1-CD2 3.74Å; F120-F122 HydrophobicContact CE1-CE2 4.26Å; F120-F122 PolarHBondContact O-N 3.02Å; F122-Q169 HydrophobicContact CD1-CB 4.3Å; F122-Q169 HydrophobicContact CD1-CG 4.15Å; F122-Q169 HydrophobicContact CD2-CB 3.8Å; F122-Q169 HydrophobicContact CD2-CG 4.19Å; F122-Q169 WeakPolarHBondContact CD2-O 3.5Å; F122-Q169 HydrophobicContact CE1-CG 3.96Å; F122-Q169 HydrophobicContact CE2-CB 4.04Å; F122-Q169 HydrophobicContact CE2-CG 4Å; F122-Q169 HydrophobicContact CG-CB 3.96Å; F122-Q169 HydrophobicContact CG-CG 4.28Å; F122-Q169 HydrophobicContact CZ-CB 4.4Å; F122-Q169 HydrophobicContact CZ-CG 3.88Å; F122-L172 HydrophobicContact CD2-CB 4.32Å; F122-L172 HydrophobicContact CE2-CB 4.05Å; F122-L172 HydrophobicContact CE2-CD1 3.8Å; F122-Y199 HydrophobicContact CD1-CD1 4.35Å; F122-Y199 AromaticContact CE1-CD1 3.67Å; F122-Y199 HydrophobicContact CE1-CD1 3.67Å; F122-Y199 HydrophobicContact CE1-CE1 4.17Å; F122-Y199 HydrophobicContact CZ-CD1 4.49Å; F122-L200 WeakPolarHBondContact CA-O 3.48Å; F122-K201 CarbonylContact O-C 3.56Å; F122-K201 WeakPolarHBondContact O-CA 3.42Å; F122-I202 WeakPolarHBondContact O-CG1 3.44Å; F122-I202 PolarHBondContact O-N 2.89Å; F122-I325 HydrophobicContact CE2-CG2 4.26Å; F122-I325 HydrophobicContact CZ-CG2 3.95Å; F122-I325 WeakPolarHBondContact CZ-O 3.39Å; F122-K328 HydrophobicContact CE1-CG 4.2Å
123	L	98.7	Very high	98	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-106	148.7	173	-53.7	-178	0	0	0	108.6	I118 F120 A173 Y176 L177 K201 I202 F205	I118-L123 HydrophobicContact CB-CD1 4.38Å; I118-L123 HydrophobicContact CD1-CB 4.33Å; I118-L123 HydrophobicContact CD1-CD1 3.95Å; F120-L123 HydrophobicContact CB-CB 4.38Å; F120-L123 HydrophobicContact CB-CD1 3.71Å; F120-L123 HydrophobicContact CB-CG 3.84Å; F120-L123 HydrophobicContact CD1-CG 4.29Å; F120-L123 PolarHBondContact O-N 2.63Å; L123-A173 HydrophobicContact CD2-CB 3.94Å; L123-Y176 HydrophobicContact CD1-CD1 3.78Å; L123-Y176 HydrophobicContact CD1-CE1 3.74Å; L123-L177 HydrophobicContact CD1-CD2 3.83Å; L123-L177 HydrophobicContact CD1-CG 4.15Å; L123-L177 HydrophobicContact CD2-CD1 4.39Å; L123-K201 VanDerWaalsContact O-CD 3.25Å; L123-K201 WeakPolarHBondContact O-CD 3.36Å; L123-K201 PolarHBondContact O-NZ 3.12Å; L123-I202 HydrophobicContact CD2-CB 3.78Å; L123-I202 HydrophobicContact CD2-CD1 3.76Å; L123-I202 HydrophobicContact CD2-CG1 4.01Å; L123-I202 HydrophobicContact CD2-CG2 4.48Å; L123-F205 HydrophobicContact CB-CZ 4.41Å; L123-F205 HydrophobicContact CD1-CZ 4.34Å; L123-F205 HydrophobicContact CD2-CZ 4.05Å; L123-F205 HydrophobicContact CG-CZ 4.48Å
124	V	98	Very high	98	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.018	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-69.6	132.4	173.5	73	0	0	0	0	110	L115 L140 E141 I202 F205	L115-V124 HydrophobicContact CD2-CG1 3.93Å; V124-L140 HydrophobicContact CB-CD2 4.45Å; V124-L140 HydrophobicContact CG1-CD2 3.63Å; V124-L140 HydrophobicContact CG2-CB 3.98Å; V124-L140 HydrophobicContact CG2-CD2 3.95Å; V124-E141 WeakPolarHBondContact CA-OE1 3.2Å; V124-E141 HydrophobicContact CG2-CG 3.65Å; V124-I202 WeakPolarHBondContact CB-O 3.48Å; V124-I202 WeakPolarHBondContact CG1-O 3.36Å; V124-I202 PolarHBondContact N-O 3.15Å; V124-F205 HydrophobicContact CG1-CE2 4.38Å
125	N	97	Very high	98	Very high	54 Å²	54	23.9 Å²	23.9	29%	0.289	13%	0.127	S	C	.	.	P	Polyproline II helix	trans	-90.8	127.7	178.5	-70.1	-22.7	0	0	0	110.6	L140 E141	N125-L140 CarbonylContact O-C 3.59Å; N125-L140 WeakPolarHBondContact O-CA 3.41Å; N125-E141 HydrophobicContact CB-CG 4.33Å; N125-E141 PolarHBondContact N-OE1 3.4Å; N125-E141 PolarHBondContact O-N 3.05Å
126	M	97.9	Very high	98	Very high	25 Å²	25	23.7 Å²	23.7	12%	0.123	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	121.4	167.9	-172.7	175.4	73.6	0	0	109.5	K112 L115 Q116 M138	K112-M126 HydrophobicContact CG-CE 4.12Å; K112-M126 HydrophobicContact CG-SD 4.41Å; L115-M126 HydrophobicContact CB-CB 3.99Å; L115-M126 HydrophobicContact CB-CE 4.16Å; L115-M126 HydrophobicContact CB-SD 4.02Å; L115-M126 HydrophobicContact CD1-SD 4.43Å; Q116-M126 HydrophobicContact CB-CE 3.48Å; Q116-M126 VanDerWaalsContact CB-CE 3.48Å; M126-M138 HydrophobicContact SD-CB 3.85Å; M126-M138 HydrophobicContact SD-CG 3.8Å; M126-M138 HydrophobicContact SD-SD 4.28Å
127	T	97.5	Very high	98.1	Very high	63 Å²	63	22.4 Å²	22.4	39%	0.387	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-42.8	-178	-51.7	0	0	0	0	111.5	Y89 V139	Y89-T127 HydrophobicContact CE1-CG2 4.09Å; Y89-T127 WeakPolarHBondContact CE1-OG1 3.49Å; T127-V139 PolarHBondContact N-O 2.78Å
128	F	98.3	Very high	98.1	Very high	37 Å²	37	22.4 Å²	22.4	16%	0.162	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	154.6	179.8	-45.8	-83.2	0	0	0	111.7	T57 A58 F63 Y89 V139	T57-F128 VanDerWaalsContact OG1-CA 3.3Å; T57-F128 WeakPolarHBondContact OG1-CA 3.28Å; A58-F128 HydrophobicContact CB-CB 3.86Å; A58-F128 HydrophobicContact CB-CD1 3.87Å; A58-F128 HydrophobicContact CB-CG 3.96Å; F63-F128 HydrophobicContact CE1-CD2 4.19Å; F63-F128 HydrophobicContact CE1-CE2 4.3Å; F63-F128 AromaticContact CZ-CD2 3.73Å; F63-F128 HydrophobicContact CZ-CD2 3.73Å; F63-F128 HydrophobicContact CZ-CE2 4.11Å; F63-F128 HydrophobicContact CZ-CG 4.24Å; Y89-F128 HydrophobicContact CE1-CE2 4.43Å; Y89-F128 HydrophobicContact CE2-CE2 4.16Å; Y89-F128 AromaticContact CZ-CE2 3.98Å; F128-V139 HydrophobicContact CB-CB 3.88Å; F128-V139 HydrophobicContact CB-CG2 4Å; F128-V139 HydrophobicContact CD2-CB 4.02Å; F128-V139 HydrophobicContact CD2-CG1 3.89Å; F128-V139 HydrophobicContact CG-CB 4.46Å; F128-V139 PolarHBondContact N-O 3.36Å; F128-V139 PolarHBondContact O-N 3.27Å
129	S	98.4	Very high	98.1	Very high	4 Å²	4	22.1 Å²	22.1	3%	0.028	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	138.6	168.8	62.1	0	0	0	0	110.6	N56 T57 K112 Y137	N56-S129 VanDerWaalsContact CA-O 3.31Å; N56-S129 WeakPolarHBondContact CA-O 3.27Å; N56-S129 PolarHBondContact N-O 2.63Å; T57-S129 PolarHBondContact N-O 3.3Å; T57-S129 PolarHBondContact OG1-N 3.15Å; T57-S129 PolarHBondContact OG1-O 2.92Å; K112-S129 WeakPolarHBondContact CE-OG 3.47Å; S129-Y137 VanDerWaalsContact CA-O 3.23Å; S129-Y137 WeakPolarHBondContact CA-O 3.42Å
130	F	98.6	Very high	98.1	Very high	6 Å²	6	18.9 Å²	18.9	3%	0.026	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	175	-179.5	57.3	-89.2	0	0	0	110.9	A58 L60 F63 M91 Y137 V139 F370	A58-F130 HydrophobicContact CB-CD1 3.9Å; A58-F130 HydrophobicContact CB-CE1 4.1Å; A58-F130 WeakPolarHBondContact O-CB 3.27Å; A58-F130 VanDerWaalsContact O-CG 3.27Å; A58-F130 WeakPolarHBondContact O-CG 3.48Å; L60-F130 HydrophobicContact CB-CE2 3.92Å; L60-F130 HydrophobicContact CB-CZ 4.36Å; L60-F130 HydrophobicContact CD1-CE2 4.46Å; L60-F130 HydrophobicContact CD1-CZ 4.41Å; L60-F130 VanDerWaalsContact N-CE2 3.3Å; F63-F130 HydrophobicContact CD2-CE1 4.43Å; F63-F130 HydrophobicContact CD2-CZ 4.4Å; F63-F130 AromaticContact CE2-CE1 3.84Å; F63-F130 HydrophobicContact CE2-CE1 3.84Å; F63-F130 HydrophobicContact CE2-CZ 4.25Å; M91-F130 HydrophobicContact CE-CE1 4.36Å; M91-F130 HydrophobicContact CE-CZ 3.92Å; F130-Y137 AromaticContact CD2-CD2 3.35Å; F130-Y137 HydrophobicContact CD2-CD2 3.35Å; F130-Y137 HydrophobicContact CD2-CE2 4.08Å; F130-Y137 AromaticContact CD2-CG 3.74Å; F130-Y137 HydrophobicContact CD2-CG 3.74Å; F130-Y137 HydrophobicContact CE1-CG 4.4Å; F130-Y137 AromaticContact CE2-CD1 3.86Å; F130-Y137 HydrophobicContact CE2-CD1 3.86Å; F130-Y137 AromaticContact CE2-CD2 3.21Å; F130-Y137 HydrophobicContact CE2-CD2 3.21Å; F130-Y137 HydrophobicContact CE2-CE1 4.37Å; F130-Y137 AromaticContact CE2-CE2 3.78Å; F130-Y137 HydrophobicContact CE2-CE2 3.78Å; F130-Y137 AromaticContact CE2-CG 3.24Å; F130-Y137 HydrophobicContact CE2-CG 3.24Å; F130-Y137 HydrophobicContact CG-CD2 4.31Å; F130-Y137 HydrophobicContact CG-CG 4.47Å; F130-Y137 HydrophobicContact CZ-CD1 4.04Å; F130-Y137 HydrophobicContact CZ-CD2 4.09Å; F130-Y137 AromaticContact CZ-CG 3.64Å; F130-Y137 HydrophobicContact CZ-CG 3.64Å; F130-Y137 PolarHBondContact N-O 2.98Å; F130-Y137 VanDerWaalsContact N-O 3.09Å; F130-Y137 WeakPolarHBondContact O-CB 3.39Å; F130-Y137 PolarHBondContact O-N 2.96Å; F130-V139 HydrophobicContact CE1-CG2 3.84Å; F130-F370 WeakPolarHBondContact O-CE1 3.25Å
131	K	98.2	Very high	98.1	Very high	49 Å²	49	20.6 Å²	20.6	21%	0.213	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	154.6	176.9	63.9	-159.4	173.1	-153.2	0	110.9	N135 L136 F367 A368 F370	K131-N135 WeakPolarHBondContact CA-O 3.45Å; K131-N135 WeakPolarHBondContact CB-O 3.48Å; K131-L136 HydrophobicContact CB-CD2 3.84Å; K131-L136 HydrophobicContact CD-CD2 4.42Å; K131-F367 PolarHBondContact NZ-O 3.41Å; K131-A368 PolarHBondContact NZ-O 2.9Å; K131-F370 HydrophobicContact CB-CD1 4.36Å; K131-F370 HydrophobicContact CD-CB 4.11Å; K131-F370 HydrophobicContact CD-CD1 4.35Å; K131-F370 PolarHBondContact NZ-O 2.95Å
132	D	97.9	Very high	98.1	Very high	30 Å²	30	20.5 Å²	20.5	16%	0.16	11%	0.106	C	C	.	.			trans	-126.4	-171	169.7	67.8	28.4	0	0	0	110.2	K96 S134 N135 Y137 I357	K96-D132 VanDerWaalsContact CE-O 3.28Å; K96-D132 WeakPolarHBondContact CE-O 3.3Å; K96-D132 PolarHBondContact NZ-O 2.66Å; D132-S134 PolarHBondContact O-N 3.09Å; D132-S134 WeakPolarHBondContact OD1-CA 3.32Å; D132-S134 PolarHBondContact OD1-N 2.95Å; D132-N135 PolarHBondContact N-O 2.77Å; D132-N135 PolarHBondContact OD1-N 2.91Å; D132-Y137 HydrophobicContact CB-CE2 4.24Å; D132-Y137 WeakPolarHBondContact OD2-CE2 3.34Å; D132-Y137 VanDerWaalsContact OD2-CZ 3.23Å; D132-Y137 PolarHBondContact OD2-OH 3.43Å; D132-I357 HydrophobicContact CB-CG2 4.27Å; D132-I357 VanDerWaalsContact OD2-CD1 3.22Å; D132-I357 WeakPolarHBondContact OD2-CD1 3.43Å; D132-I357 WeakPolarHBondContact OD2-CG1 3.48Å
133	N	98.2	Very high	98	Very high	49 Å²	49	20.9 Å²	20.9	26%	0.262	11%	0.108	S	C	.	.	S	Bend	trans	-53.5	-25.6	-179.1	-75	-18.5	0	0	0	115.2	I357 S358 E361 K362	N133-I357 HydrophobicContact CB-CG2 4.15Å; N133-S358 WeakPolarHBondContact CB-O 3.44Å; N133-S358 PolarHBondContact ND2-O 3.46Å; N133-E361 WeakPolarHBondContact CA-OE2 3.32Å; N133-E361 WeakPolarHBondContact OD1-CA 3.32Å; N133-E361 PolarHBondContact OD1-OE2 3.31Å; N133-E361 VanDerWaalsContact OD1-OE2 3.08Å; N133-K362 VanDerWaalsContact O-CB 3.28Å; N133-K362 WeakPolarHBondContact O-CB 3.39Å; N133-K362 WeakPolarHBondContact O-CG 2.85Å; N133-K362 PolarHBondContact O-N 2.94Å
134	S	97.9	Very high	97.9	Very high	15 Å²	15	21.7 Å²	21.7	11%	0.105	11%	0.113	C	C	.	.	S	Bend	trans	-118.6	-33.1	-172.2	-76.7	0	0	0	0	114	K96 D132 S358	K96-S134 WeakPolarHBondContact CB-O 3.46Å; K96-S134 WeakPolarHBondContact CG-O 3.4Å; K96-S134 PolarHBondContact N-O 3.25Å; D132-S134 PolarHBondContact O-N 3.09Å; D132-S134 WeakPolarHBondContact OD1-CA 3.32Å; D132-S134 PolarHBondContact OD1-N 2.95Å; S134-S358 VanDerWaalsContact OG-CB 3.29Å; S134-S358 WeakPolarHBondContact OG-CB 3.36Å; S134-S358 PolarHBondContact OG-N 3.47Å
135	N	98.2	Very high	97.8	Very high	9 Å²	9	21.5 Å²	21.5	5%	0.048	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	158	-162.9	-55.5	-65.3	0	0	0	113	I93 L94 K131 D132 Y137	I93-N135 HydrophobicContact CG2-CB 4.04Å; L94-N135 CarbonylContact O-C 3.47Å; L94-N135 WeakPolarHBondContact O-CA 3.45Å; K131-N135 WeakPolarHBondContact CA-O 3.45Å; K131-N135 WeakPolarHBondContact CB-O 3.48Å; D132-N135 PolarHBondContact N-O 2.77Å; D132-N135 PolarHBondContact OD1-N 2.91Å; N135-Y137 HydrophobicContact CB-CD2 4.44Å; N135-Y137 HydrophobicContact CB-CE1 4.24Å; N135-Y137 HydrophobicContact CB-CE2 3.66Å; N135-Y137 WeakPolarHBondContact CB-OH 3.47Å; N135-Y137 PolarHBondContact ND2-OH 2.9Å
136	L	98.3	Very high	97.6	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	138.9	167.8	-49.7	171.1	0	0	0	108.4	I93 L94 K96 T108 K131 F367 F370	I93-L136 WeakPolarHBondContact CA-O 3.49Å; L94-L136 HydrophobicContact CB-CB 4.25Å; L94-L136 PolarHBondContact N-O 3.45Å; L94-L136 PolarHBondContact O-N 3.04Å; K96-L136 HydrophobicContact CD-CD2 4.21Å; K96-L136 VanDerWaalsContact CE-CD2 3.42Å; K96-L136 HydrophobicContact CG-CD1 4.48Å; K96-L136 HydrophobicContact CG-CD2 3.87Å; K96-L136 HydrophobicContact CG-CG 3.82Å; T108-L136 HydrophobicContact CG2-CD1 3.66Å; K131-L136 HydrophobicContact CB-CD2 3.84Å; K131-L136 HydrophobicContact CD-CD2 4.42Å; L136-F367 HydrophobicContact CD1-CD1 3.53Å; L136-F367 HydrophobicContact CD1-CD2 4.45Å; L136-F367 HydrophobicContact CD1-CE1 3.56Å; L136-F367 HydrophobicContact CD1-CE2 4.48Å; L136-F367 HydrophobicContact CD1-CG 4Å; L136-F367 HydrophobicContact CD1-CZ 4.06Å; L136-F367 HydrophobicContact CD2-CB 3.9Å; L136-F367 HydrophobicContact CD2-CD1 4.18Å; L136-F367 HydrophobicContact CD2-CD2 4.39Å; L136-F367 HydrophobicContact CD2-CG 3.89Å; L136-F367 HydrophobicContact CG-CD1 4.45Å; L136-F367 HydrophobicContact CG-CG 4.48Å; L136-F370 HydrophobicContact CB-CD1 4.35Å; L136-F370 HydrophobicContact CB-CD2 4.23Å; L136-F370 HydrophobicContact CB-CE1 3.91Å; L136-F370 HydrophobicContact CB-CE2 3.77Å; L136-F370 HydrophobicContact CB-CZ 3.6Å; L136-F370 HydrophobicContact CD1-CD2 3.82Å; L136-F370 HydrophobicContact CD1-CE2 3.9Å; L136-F370 HydrophobicContact CD1-CG 4.44Å; L136-F370 HydrophobicContact CD2-CB 4.14Å; L136-F370 HydrophobicContact CD2-CD1 3.91Å; L136-F370 HydrophobicContact CD2-CD2 3.96Å; L136-F370 HydrophobicContact CD2-CE1 4.32Å; L136-F370 HydrophobicContact CD2-CE2 4.37Å; L136-F370 HydrophobicContact CD2-CG 3.72Å; L136-F370 HydrophobicContact CG-CD2 4.22Å; L136-F370 HydrophobicContact CG-CE2 4.23Å; L136-F370 HydrophobicContact CG-CG 4.44Å; L136-F370 HydrophobicContact CG-CZ 4.45Å
137	Y	98.5	Very high	97.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126.8	-175.9	-57.1	-91.2	0	0	0	110.2	L60 M91 K92 I93 S129 F130 D132 N135 L355	L60-Y137 HydrophobicContact CD1-CD1 4.16Å; L60-Y137 HydrophobicContact CD1-CE1 3.65Å; L60-Y137 HydrophobicContact CD2-CE1 4.49Å; M91-Y137 HydrophobicContact CG-CD1 4.18Å; M91-Y137 HydrophobicContact SD-CD1 3.72Å; M91-Y137 HydrophobicContact SD-CE1 4.29Å; K92-Y137 WeakPolarHBondContact O-CA 3.16Å; I93-Y137 HydrophobicContact CB-CD1 4.42Å; I93-Y137 HydrophobicContact CB-CE1 4.39Å; I93-Y137 HydrophobicContact CD1-CE1 4.37Å; I93-Y137 HydrophobicContact CG1-CD1 3.95Å; I93-Y137 HydrophobicContact CG1-CE1 4.04Å; I93-Y137 HydrophobicContact CG2-CD1 4.12Å; I93-Y137 HydrophobicContact CG2-CE1 3.68Å; S129-Y137 VanDerWaalsContact CA-O 3.23Å; S129-Y137 WeakPolarHBondContact CA-O 3.42Å; F130-Y137 AromaticContact CD2-CD2 3.35Å; F130-Y137 HydrophobicContact CD2-CD2 3.35Å; F130-Y137 HydrophobicContact CD2-CE2 4.08Å; F130-Y137 AromaticContact CD2-CG 3.74Å; F130-Y137 HydrophobicContact CD2-CG 3.74Å; F130-Y137 HydrophobicContact CE1-CG 4.4Å; F130-Y137 AromaticContact CE2-CD1 3.86Å; F130-Y137 HydrophobicContact CE2-CD1 3.86Å; F130-Y137 AromaticContact CE2-CD2 3.21Å; F130-Y137 HydrophobicContact CE2-CD2 3.21Å; F130-Y137 HydrophobicContact CE2-CE1 4.37Å; F130-Y137 AromaticContact CE2-CE2 3.78Å; F130-Y137 HydrophobicContact CE2-CE2 3.78Å; F130-Y137 AromaticContact CE2-CG 3.24Å; F130-Y137 HydrophobicContact CE2-CG 3.24Å; F130-Y137 HydrophobicContact CG-CD2 4.31Å; F130-Y137 HydrophobicContact CG-CG 4.47Å; F130-Y137 HydrophobicContact CZ-CD1 4.04Å; F130-Y137 HydrophobicContact CZ-CD2 4.09Å; F130-Y137 AromaticContact CZ-CG 3.64Å; F130-Y137 HydrophobicContact CZ-CG 3.64Å; F130-Y137 PolarHBondContact N-O 2.98Å; F130-Y137 VanDerWaalsContact N-O 3.09Å; F130-Y137 WeakPolarHBondContact O-CB 3.39Å; F130-Y137 PolarHBondContact O-N 2.96Å; D132-Y137 HydrophobicContact CB-CE2 4.24Å; D132-Y137 WeakPolarHBondContact OD2-CE2 3.34Å; D132-Y137 VanDerWaalsContact OD2-CZ 3.23Å; D132-Y137 PolarHBondContact OD2-OH 3.43Å; N135-Y137 HydrophobicContact CB-CD2 4.44Å; N135-Y137 HydrophobicContact CB-CE1 4.24Å; N135-Y137 HydrophobicContact CB-CE2 3.66Å; N135-Y137 WeakPolarHBondContact CB-OH 3.47Å; N135-Y137 PolarHBondContact ND2-OH 2.9Å; Y137-L355 HydrophobicContact CE1-CD2 4.09Å
138	M	98.3	Very high	97.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	117.1	167.8	-65.4	178.1	-86.4	0	0	108.1	M91 K92 L94 E111 K112 L115 M126 L140 F370	M91-M138 CarbonylContact C-O 3.49Å; M91-M138 WeakPolarHBondContact CA-O 3.15Å; K92-M138 HydrophobicContact CB-CB 4.34Å; K92-M138 HydrophobicContact CD-CE 3.83Å; K92-M138 HydrophobicContact CG-CE 4.31Å; K92-M138 PolarHBondContact N-O 3.13Å; K92-M138 PolarHBondContact O-N 3.35Å; L94-M138 HydrophobicContact CD1-CE 3.53Å; E111-M138 HydrophobicContact CG-SD 4.4Å; K112-M138 HydrophobicContact CB-SD 3.93Å; K112-M138 HydrophobicContact CG-CG 4.41Å; K112-M138 HydrophobicContact CG-SD 4.37Å; L115-M138 HydrophobicContact CD1-SD 3.98Å; M126-M138 HydrophobicContact SD-CB 3.85Å; M126-M138 HydrophobicContact SD-CG 3.8Å; M126-M138 HydrophobicContact SD-SD 4.28Å; M138-L140 HydrophobicContact CB-CD1 4.29Å; M138-F370 HydrophobicContact CG-CZ 3.86Å
139	V	98.5	Very high	97.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	103.2	-178.3	-172.5	0	0	0	0	108.5	F63 Y89 M91 T127 F128 F130	F63-V139 HydrophobicContact CE1-CG1 3.92Å; F63-V139 HydrophobicContact CE2-CG2 4.29Å; F63-V139 HydrophobicContact CZ-CG1 4.14Å; F63-V139 HydrophobicContact CZ-CG2 4.03Å; Y89-V139 HydrophobicContact CD1-CG1 3.99Å; Y89-V139 HydrophobicContact CD2-CG1 4.23Å; Y89-V139 HydrophobicContact CG-CG1 3.62Å; M91-V139 HydrophobicContact CE-CG2 3.85Å; M91-V139 HydrophobicContact CG-CG2 4.2Å; T127-V139 PolarHBondContact N-O 2.78Å; F128-V139 HydrophobicContact CB-CB 3.88Å; F128-V139 HydrophobicContact CB-CG2 4Å; F128-V139 HydrophobicContact CD2-CB 4.02Å; F128-V139 HydrophobicContact CD2-CG1 3.89Å; F128-V139 HydrophobicContact CG-CB 4.46Å; F128-V139 PolarHBondContact N-O 3.36Å; F128-V139 PolarHBondContact O-N 3.27Å; F130-V139 HydrophobicContact CE1-CG2 3.84Å
140	L	98.2	Very high	97.1	Very high	12 Å²	12	20.5 Å²	20.5	6%	0.063	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	156.7	-176.9	-55.6	113.5	0	0	0	110.8	Y89 A90 K92 L115 V124 N125 M138 F142	Y89-L140 CarbonylContact C-O 3.58Å; Y89-L140 WeakPolarHBondContact CA-O 3.45Å; Y89-L140 VanDerWaalsContact CB-O 3.31Å; Y89-L140 WeakPolarHBondContact CB-O 3.43Å; Y89-L140 WeakPolarHBondContact CD1-O 3.47Å; A90-L140 PolarHBondContact N-O 3.28Å; A90-L140 PolarHBondContact O-N 3.29Å; K92-L140 HydrophobicContact CB-CD1 3.97Å; L115-L140 HydrophobicContact CD1-CD2 4.05Å; L115-L140 HydrophobicContact CD2-CD2 4.18Å; V124-L140 HydrophobicContact CB-CD2 4.45Å; V124-L140 HydrophobicContact CG1-CD2 3.63Å; V124-L140 HydrophobicContact CG2-CB 3.98Å; V124-L140 HydrophobicContact CG2-CD2 3.95Å; N125-L140 CarbonylContact O-C 3.59Å; N125-L140 WeakPolarHBondContact O-CA 3.41Å; M138-L140 HydrophobicContact CB-CD1 4.29Å; L140-F142 PolarHBondContact O-N 3.39Å
141	E	97.2	Very high	96.9	Very high	45 Å²	45	20.5 Å²	20.5	21%	0.21	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	139.1	169.1	63.8	178.5	139.9	0	0	111.1	V124 N125 I143 K201	V124-E141 WeakPolarHBondContact CA-OE1 3.2Å; V124-E141 HydrophobicContact CG2-CG 3.65Å; N125-E141 HydrophobicContact CB-CG 4.33Å; N125-E141 PolarHBondContact N-OE1 3.4Å; N125-E141 PolarHBondContact O-N 3.05Å; E141-I143 HydrophobicContact CB-CD1 4.48Å; E141-I143 HydrophobicContact CG-CD1 3.66Å; E141-I143 HydrophobicContact CG-CG1 4.36Å; E141-K201 VanDerWaalsContact OE1-CE 3.3Å; E141-K201 WeakPolarHBondContact OE1-CE 3.13Å; E141-K201 IonicContact OE1-NZ 3.92Å; E141-K201 PolarHBondContact OE1-NZ 3.27Å; E141-K201 WeakPolarHBondContact OE2-CE 3.47Å; E141-K201 IonicContact OE2-NZ 2.96Å; E141-K201 PolarHBondContact OE2-NZ 2.87Å
142	F	97.7	Very high	96.8	Very high	29 Å²	29	18.2 Å²	18.2	13%	0.127	10%	0.095	C	C	.	.	P	Polyproline II helix	trans	-83.4	119.3	178	174.1	-123.3	0	0	0	110.9	L69 L79 L140 D343 A344 F347	L69-F142 HydrophobicContact CD1-CD2 3.8Å; L69-F142 HydrophobicContact CD1-CE2 3.69Å; L69-F142 HydrophobicContact CD2-CE2 4Å; L79-F142 HydrophobicContact CD1-CB 4.37Å; L79-F142 HydrophobicContact CD1-CD1 3.79Å; L79-F142 HydrophobicContact CD1-CD2 3.82Å; L79-F142 HydrophobicContact CD1-CE1 3.97Å; L79-F142 HydrophobicContact CD1-CE2 4.02Å; L79-F142 HydrophobicContact CD1-CG 3.71Å; L79-F142 HydrophobicContact CD1-CZ 4.08Å; L140-F142 PolarHBondContact O-N 3.39Å; F142-D343 WeakPolarHBondContact CZ-O 3.43Å; F142-A344 HydrophobicContact CZ-CB 4.29Å; F142-F347 HydrophobicContact CE2-CD2 4.36Å; F142-F347 AromaticContact CE2-CE2 3.62Å; F142-F347 HydrophobicContact CE2-CE2 3.62Å; F142-F347 HydrophobicContact CE2-CZ 4.05Å; F142-F347 AromaticContact CZ-CE2 3.98Å; F142-F347 HydrophobicContact CZ-CE2 3.98Å
143	I	97.3	Very high	96.7	Very high	8 Å²	8	22.1 Å²	22.1	4%	0.041	11%	0.108	C	C	.	.			trans	-102.8	98.4	179.5	-51.3	-51.5	0	0	0	109.8	E141 G145 L193 I194 D195 K201 F347	E141-I143 HydrophobicContact CB-CD1 4.48Å; E141-I143 HydrophobicContact CG-CD1 3.66Å; E141-I143 HydrophobicContact CG-CG1 4.36Å; I143-G145 VanDerWaalsContact C-N 3.35Å; I143-G145 PolarHBondContact O-N 3.44Å; I143-L193 HydrophobicContact CB-CB 3.94Å; I143-L193 HydrophobicContact CB-CD1 3.85Å; I143-L193 HydrophobicContact CG1-CB 4.48Å; I143-L193 HydrophobicContact CG1-CD1 4.15Å; I143-L193 HydrophobicContact CG2-CB 3.55Å; I143-L193 HydrophobicContact CG2-CD1 4.42Å; I143-I194 VanDerWaalsContact CG2-O 3.3Å; I143-I194 WeakPolarHBondContact CG2-O 3.4Å; I143-D195 HydrophobicContact CG2-CB 4.05Å; I143-K201 HydrophobicContact CD1-CB 4.17Å; I143-K201 HydrophobicContact CD1-CD 4.22Å; I143-K201 HydrophobicContact CD1-CG 3.65Å; I143-K201 HydrophobicContact CG1-CB 3.89Å; I143-K201 HydrophobicContact CG1-CG 3.95Å; I143-K201 HydrophobicContact CG2-CB 4.29Å; I143-K201 HydrophobicContact CG2-CG 4.36Å; I143-F347 WeakPolarHBondContact O-CE2 3.2Å; I143-F347 VanDerWaalsContact O-CZ 3.23Å; I143-F347 WeakPolarHBondContact O-CZ 3.15Å
144	S	95.2	Very high	96.5	Very high	17 Å²	17	28.3 Å²	28.3	12%	0.119	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-16.5	-166.1	55.2	0	0	0	0	116.3	G146 C338 N346	S144-G146 VanDerWaalsContact C-N 3.28Å; S144-G146 PolarHBondContact O-N 3.17Å; S144-C338 PolarHBondContact OG-SG 3.34Å; S144-C338 VanDerWaalsContact OG-SG 3.38Å; S144-N346 PolarHBondContact O-ND2 2.88Å
145	G	95.9	Very high	96.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-4.5	-176.1	0	0	0	0	0	114.9	I143 H151 I194 N346	I143-G145 VanDerWaalsContact C-N 3.35Å; I143-G145 PolarHBondContact O-N 3.44Å; G145-H151 PolarHBondContact O-NE2 3.42Å; G145-I194 CarbonylContact C-O 3.51Å; G145-I194 WeakPolarHBondContact CA-O 3.47Å; G145-I194 PolarHBondContact N-O 2.83Å; G145-N346 WeakPolarHBondContact O-CB 3.14Å
146	G	94.1	Very high	96.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.159	C	C	.	.			trans	73.1	-169.6	178.4	0	0	0	0	0	113.7	S144 L193 I194	S144-G146 VanDerWaalsContact C-N 3.28Å; S144-G146 PolarHBondContact O-N 3.17Å; G146-L193 CarbonylContact O-C 3.6Å; G146-L193 WeakPolarHBondContact O-CA 2.97Å; G146-I194 PolarHBondContact O-N 2.81Å
147	E	94.8	Very high	96.3	Very high	64 Å²	64	38.2 Å²	38.2	30%	0.299	18%	0.179	S	C	.	.	B	Isolated β-bridge	trans	-77.6	140.1	-172.9	-61.9	172.7	-172.2	0	0	113.1	F149 S150 H151 L193	E147-F149 HydrophobicContact CB-CB 4.33Å; E147-F149 PolarHBondContact O-N 3.35Å; E147-S150 PolarHBondContact O-N 3.05Å; E147-H151 PolarHBondContact O-CD2 2.98Å; E147-H151 PolarHBondContact O-N 2.91Å; E147-L193 HydrophobicContact CB-CD2 4.4Å; E147-L193 HydrophobicContact CG-CD2 3.73Å
148	M	97.2	Very high	96.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-56.6	-36.9	170.1	177.1	-174.3	-69.6	0	0	110.7	S150 H151 L152 F158 Y166 P189 L192 L200 L247 M251	M148-S150 VanDerWaalsContact C-N 3.35Å; M148-S150 PolarHBondContact O-N 3.47Å; M148-H151 PolarHBondContact O-N 3.47Å; M148-L152 WeakPolarHBondContact O-CB 3.26Å; M148-L152 PolarHBondContact O-N 3.3Å; M148-F158 HydrophobicContact CG-CE2 4.04Å; M148-F158 HydrophobicContact CG-CZ 4.37Å; M148-F158 HydrophobicContact SD-CE2 4.3Å; M148-Y166 HydrophobicContact CE-CD1 4.2Å; M148-Y166 HydrophobicContact CE-CD2 3.66Å; M148-Y166 HydrophobicContact CE-CE2 4.16Å; M148-Y166 HydrophobicContact CE-CG 3.69Å; M148-P189 HydrophobicContact CB-CB 4.45Å; M148-P189 HydrophobicContact CG-CB 4.37Å; M148-P189 HydrophobicContact SD-CB 4.49Å; M148-L192 HydrophobicContact CB-CB 4Å; M148-L192 WeakPolarHBondContact CB-O 3.27Å; M148-L192 HydrophobicContact CE-CB 4.31Å; M148-L192 HydrophobicContact CE-CD1 3.86Å; M148-L192 PolarHBondContact N-O 2.78Å; M148-L192 HydrophobicContact SD-CD1 3.9Å; M148-L200 HydrophobicContact CE-CD1 3.79Å; M148-L200 HydrophobicContact CE-CD2 3.37Å; M148-L200 HydrophobicContact CE-CG 4.21Å; M148-L247 HydrophobicContact SD-CD1 4.4Å; M148-M251 HydrophobicContact CE-SD 4.08Å; M148-M251 HydrophobicContact SD-CG 4.11Å; M148-M251 HydrophobicContact SD-SD 3.78Å
149	F	95	Very high	96.3	Very high	60 Å²	60	41.5 Å²	41.5	26%	0.263	20%	0.202	S	C	.	.	H	α-helix	trans	-50.3	-53.7	177.1	-177.5	-95.3	0	0	0	112.1	E147 H151 L152 R153 P189 E190	E147-F149 HydrophobicContact CB-CB 4.33Å; E147-F149 PolarHBondContact O-N 3.35Å; F149-H151 VanDerWaalsContact C-N 3.33Å; F149-H151 PolarHBondContact O-N 3.27Å; F149-L152 PolarHBondContact O-N 3.28Å; F149-R153 HydrophobicContact CD1-CG 4.22Å; F149-R153 HydrophobicContact CE1-CG 3.88Å; F149-R153 HydrophobicContact CE2-CG 4.24Å; F149-R153 HydrophobicContact CZ-CG 3.9Å; F149-R153 WeakPolarHBondContact O-CB 3.25Å; F149-R153 WeakPolarHBondContact O-CG 3.48Å; F149-R153 PolarHBondContact O-N 2.96Å; F149-P189 HydrophobicContact CB-CB 3.86Å; F149-P189 HydrophobicContact CD2-CB 4.22Å; F149-P189 PolarHBondContact N-O 3.05Å; F149-E190 HydrophobicContact CB-CG 4.02Å; F149-E190 HydrophobicContact CD2-CG 3.9Å; F149-E190 WeakPolarHBondContact CD2-OE1 3.49Å; F149-E190 WeakPolarHBondContact CE2-OE1 3.3Å; F149-E190 HydrophobicContact CG-CG 3.94Å
150	S	93.2	Very high	96.3	Very high	38 Å²	38	43.1 Å²	43.1	27%	0.266	21%	0.209	S	C	.	.	H	α-helix	trans	-60.1	-41	-179.5	-68.8	0	0	0	0	112.5	E147 M148 R154	E147-S150 PolarHBondContact O-N 3.05Å; M148-S150 VanDerWaalsContact C-N 3.35Å; M148-S150 PolarHBondContact O-N 3.47Å; S150-R154 VanDerWaalsContact O-CB 3.3Å; S150-R154 WeakPolarHBondContact O-CB 3.34Å; S150-R154 PolarHBondContact O-N 2.82Å; S150-R154 VanDerWaalsContact O-N 3.13Å
151	H	94.4	Very high	96.3	Very high	5 Å²	5	46.4 Å²	46.4	2%	0.023	23%	0.231	C	C	.	.	H	α-helix	trans	-70	-42.7	176.6	-65.8	-62.5	0	0	0	112.5	G145 E147 M148 F149 R154 I155 F334	G145-H151 PolarHBondContact O-NE2 3.42Å; E147-H151 PolarHBondContact O-CD2 2.98Å; E147-H151 PolarHBondContact O-N 2.91Å; M148-H151 PolarHBondContact O-N 3.47Å; F149-H151 VanDerWaalsContact C-N 3.33Å; F149-H151 PolarHBondContact O-N 3.27Å; H151-R154 PolarHBondContact O-N 3.44Å; H151-I155 WeakPolarHBondContact O-CB 3.42Å; H151-I155 WeakPolarHBondContact O-CG1 3.48Å; H151-I155 PolarHBondContact O-N 3.32Å; H151-F334 HydrophobicContact CB-CE1 4.46Å; H151-F334 AromaticContact CD2-CE1 3.95Å; H151-F334 AromaticContact CE1-CE1 3.67Å; H151-F334 AromaticContact CE1-CZ 3.49Å; H151-F334 VanDerWaalsContact CE1-CZ 3.49Å; H151-F334 WeakPolarHBondContact CE1-CZ 3.37Å; H151-F334 AromaticContact CG-CE1 3.74Å; H151-F334 AromaticContact CG-CZ 3.91Å; H151-F334 AromaticContact ND1-CE1 3.58Å; H151-F334 AromaticContact ND1-CZ 3.28Å; H151-F334 VanDerWaalsContact ND1-CZ 3.28Å; H151-F334 WeakPolarHBondContact ND1-CZ 3.28Å; H151-F334 AromaticContact NE2-CE1 3.89Å
152	L	96.5	Very high	96.3	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-62.4	-46.1	178.9	179.5	59.8	0	0	0	111	M148 F149 R154 I155 G156 F158 P189 E250	M148-L152 WeakPolarHBondContact O-CB 3.26Å; M148-L152 PolarHBondContact O-N 3.3Å; F149-L152 PolarHBondContact O-N 3.28Å; L152-R154 PolarHBondContact O-N 3.34Å; L152-I155 PolarHBondContact O-N 3.27Å; L152-G156 CarbonylContact O-C 3.46Å; L152-G156 WeakPolarHBondContact O-CA 3.38Å; L152-G156 PolarHBondContact O-N 2.94Å; L152-F158 HydrophobicContact CB-CE1 4.4Å; L152-F158 HydrophobicContact CB-CE2 4.3Å; L152-F158 HydrophobicContact CB-CZ 3.91Å; L152-F158 HydrophobicContact CD1-CD1 4.13Å; L152-F158 HydrophobicContact CD1-CD2 4.07Å; L152-F158 HydrophobicContact CD1-CE1 4.11Å; L152-F158 HydrophobicContact CD1-CE2 4.06Å; L152-F158 HydrophobicContact CD1-CG 4.09Å; L152-F158 HydrophobicContact CD1-CZ 4.08Å; L152-P189 HydrophobicContact CD2-CG 4.46Å; L152-E250 HydrophobicContact CD2-CG 3.97Å
153	R	96	Very high	96.4	Very high	113 Å²	113	43.7 Å²	43.7	43%	0.426	22%	0.219	S	C	.	.	H	α-helix	trans	-62.9	-41.2	177.3	-68.8	-68.7	172.4	-139.7	-11.1	112.1	F149 G156 E250 G254	F149-R153 HydrophobicContact CD1-CG 4.22Å; F149-R153 HydrophobicContact CE1-CG 3.88Å; F149-R153 HydrophobicContact CE2-CG 4.24Å; F149-R153 HydrophobicContact CZ-CG 3.9Å; F149-R153 WeakPolarHBondContact O-CB 3.25Å; F149-R153 WeakPolarHBondContact O-CG 3.48Å; F149-R153 PolarHBondContact O-N 2.96Å; R153-G156 PolarHBondContact O-N 2.98Å; R153-E250 IonicContact CZ-OE1 3.77Å; R153-E250 IonicContact NH2-OE1 2.78Å; R153-E250 PolarHBondContact NH2-OE1 2.86Å; R153-G254 PolarHBondContact NH1-O 2.73Å
154	R	94.4	Very high	96.4	Very high	178 Å²	178	45.2 Å²	45.2	67%	0.672	22%	0.224	S	C	*	.	H	α-helix	trans	-66.8	-41.6	178.3	-171.3	-175.8	-57.8	163.2	1.9	112.9	S150 H151 L152 G156	S150-R154 VanDerWaalsContact O-CB 3.3Å; S150-R154 WeakPolarHBondContact O-CB 3.34Å; S150-R154 PolarHBondContact O-N 2.82Å; S150-R154 VanDerWaalsContact O-N 3.13Å; H151-R154 PolarHBondContact O-N 3.44Å; L152-R154 PolarHBondContact O-N 3.34Å; R154-G156 VanDerWaalsContact C-N 3.33Å
155	I	95.2	Very high	96.6	Very high	81 Å²	81	45.1 Å²	45.1	42%	0.415	22%	0.222	S	C	.	.	H	α-helix	trans	-79.8	-21.3	-179.9	-67.7	165	0	0	0	111.1	H151 L152 R157 F158	H151-I155 WeakPolarHBondContact O-CB 3.42Å; H151-I155 WeakPolarHBondContact O-CG1 3.48Å; H151-I155 PolarHBondContact O-N 3.32Å; L152-I155 PolarHBondContact O-N 3.27Å; I155-R157 VanDerWaalsContact C-N 3.29Å; I155-R157 WeakPolarHBondContact CG2-O 3.4Å; I155-R157 PolarHBondContact O-N 3.41Å; I155-F158 HydrophobicContact CB-CE1 4.3Å; I155-F158 HydrophobicContact CD1-CD1 4.4Å; I155-F158 HydrophobicContact CD1-CE1 3.78Å; I155-F158 HydrophobicContact CG2-CD1 4.21Å; I155-F158 HydrophobicContact CG2-CE1 4.44Å
156	G	97.3	Very high	96.8	Very high	39 Å²	39	45.1 Å²	45.1	40%	0.402	22%	0.222	S	C	.	.	S	Bend	trans	88.4	-57.7	-176.4	0	0	0	0	0	111.6	L152 R153 R154 G254	L152-G156 CarbonylContact O-C 3.46Å; L152-G156 WeakPolarHBondContact O-CA 3.38Å; L152-G156 PolarHBondContact O-N 2.94Å; R153-G156 PolarHBondContact O-N 2.98Å; R154-G156 VanDerWaalsContact C-N 3.33Å; G156-G254 WeakPolarHBondContact O-CA 3.46Å
157	R	97.4	Very high	97	Very high	112 Å²	112	45.1 Å²	45.1	42%	0.423	22%	0.222	S	C	.	.	S	Bend	trans	-156.5	150	172.7	70.2	-168.2	-178.2	96	0.4	111.8	I155 A252 H280	I155-R157 VanDerWaalsContact C-N 3.29Å; I155-R157 WeakPolarHBondContact CG2-O 3.4Å; I155-R157 PolarHBondContact O-N 3.41Å; R157-A252 WeakPolarHBondContact CD-O 3.43Å; R157-A252 PolarHBondContact NH1-O 2.91Å; R157-H280 PolarHBondContact NH1-CD2 3.32Å; R157-H280 PolarHBondContact NH1-NE2 3.37Å
158	F	98.2	Very high	97.2	Very high	2 Å²	2	42 Å²	42	1%	0.009	21%	0.207	C	C	.	.			trans	-81.5	150.9	172.4	-60.6	-25.5	0	0	0	111.4	M148 L152 I155 H162 Y166 M251	M148-F158 HydrophobicContact CG-CE2 4.04Å; M148-F158 HydrophobicContact CG-CZ 4.37Å; M148-F158 HydrophobicContact SD-CE2 4.3Å; L152-F158 HydrophobicContact CB-CE1 4.4Å; L152-F158 HydrophobicContact CB-CE2 4.3Å; L152-F158 HydrophobicContact CB-CZ 3.91Å; L152-F158 HydrophobicContact CD1-CD1 4.13Å; L152-F158 HydrophobicContact CD1-CD2 4.07Å; L152-F158 HydrophobicContact CD1-CE1 4.11Å; L152-F158 HydrophobicContact CD1-CE2 4.06Å; L152-F158 HydrophobicContact CD1-CG 4.09Å; L152-F158 HydrophobicContact CD1-CZ 4.08Å; I155-F158 HydrophobicContact CB-CE1 4.3Å; I155-F158 HydrophobicContact CD1-CD1 4.4Å; I155-F158 HydrophobicContact CD1-CE1 3.78Å; I155-F158 HydrophobicContact CG2-CD1 4.21Å; I155-F158 HydrophobicContact CG2-CE1 4.44Å; F158-H162 HydrophobicContact CB-CB 4.02Å; F158-H162 AromaticContact CD1-CE1 3.55Å; F158-H162 AromaticContact CD1-ND1 3.61Å; F158-H162 AromaticContact CE1-CE1 3.81Å; F158-H162 AromaticContact CG-CE1 3.91Å; F158-H162 AromaticContact CG-CG 3.94Å; F158-H162 AromaticContact CG-ND1 3.75Å; F158-Y166 AromaticContact CD2-CD2 3.98Å; F158-Y166 HydrophobicContact CD2-CD2 3.98Å; F158-Y166 AromaticContact CD2-CE2 3.99Å; F158-Y166 HydrophobicContact CD2-CE2 3.99Å; F158-Y166 AromaticContact CE2-CD2 3.87Å; F158-Y166 HydrophobicContact CE2-CD2 3.87Å; F158-Y166 AromaticContact CE2-CE2 3.63Å; F158-Y166 HydrophobicContact CE2-CE2 3.63Å; F158-Y166 HydrophobicContact CZ-CE2 4.21Å; F158-M251 HydrophobicContact CD2-CB 3.97Å; F158-M251 HydrophobicContact CD2-CG 3.96Å; F158-M251 HydrophobicContact CD2-SD 4.12Å; F158-M251 HydrophobicContact CE2-CG 4.3Å; F158-M251 HydrophobicContact CE2-SD 4.4Å; F158-M251 PolarHBondContact N-O 3.36Å
159	S	98.3	Very high	97.3	Very high	67 Å²	67	42 Å²	42	47%	0.469	21%	0.207	S	C	.	.			trans	-69.5	155.9	168.6	69.2	0	0	0	0	110.3	H162 S163	S159-H162 CarbonylContact O-C 3.41Å; S159-H162 WeakPolarHBondContact O-CA 3.31Å; S159-H162 WeakPolarHBondContact O-CB 3.44Å; S159-H162 PolarHBondContact O-N 3Å; S159-H162 WeakPolarHBondContact OG-CB 3.15Å; S159-H162 PolarHBondContact OG-N 3.11Å; S159-S163 PolarHBondContact O-N 3.29Å; S159-S163 PolarHBondContact O-OG 3.35Å
160	E	98.6	Very high	97.4	Very high	34 Å²	34	39.2 Å²	39.2	16%	0.159	20%	0.195	C	C	.	.	H	α-helix	trans	-56.4	-40	179.4	-66.1	-167	-152.2	0	0	114.3	H162 S163 R164 S282 L285 W316	E160-H162 VanDerWaalsContact C-N 3.31Å; E160-H162 PolarHBondContact O-N 3.4Å; E160-S163 PolarHBondContact O-N 3.15Å; E160-R164 VanDerWaalsContact O-CB 3.22Å; E160-R164 WeakPolarHBondContact O-CB 3.32Å; E160-R164 PolarHBondContact O-N 3.41Å; E160-S282 VanDerWaalsContact CD-OG 3.31Å; E160-S282 VanDerWaalsContact OE1-CB 3.29Å; E160-S282 WeakPolarHBondContact OE1-CB 3.49Å; E160-S282 PolarHBondContact OE1-N 3.46Å; E160-S282 PolarHBondContact OE1-OG 2.87Å; E160-S282 WeakPolarHBondContact OE2-CB 3.42Å; E160-S282 PolarHBondContact OE2-OG 2.77Å; E160-L285 HydrophobicContact CG-CD2 3.84Å; E160-W316 HydrophobicContact CB-CZ2 4.3Å; E160-W316 PolarHBondContact OE2-NE1 3.09Å
161	P	98.4	Very high	97.7	Very high	81 Å²	81	37.4 Å²	37.4	53%	0.526	18%	0.182	S	C	.	.	H	α-helix	trans	-59.7	-39	171.8	-24.7	35.5	0	0	0	113.9	R164 F165	P161-R164 PolarHBondContact O-N 3.2Å; P161-F165 PolarHBondContact O-N 3.49Å
162	H	97.9	Very high	97.9	Very high	18 Å²	18	37.6 Å²	37.6	8%	0.083	18%	0.184	C	C	.	.	H	α-helix	trans	-68.2	-47.4	177.3	-173.1	172.4	0	0	0	111.1	F158 S159 E160 R164 F165 Y166 P333	F158-H162 HydrophobicContact CB-CB 4.02Å; F158-H162 AromaticContact CD1-CE1 3.55Å; F158-H162 AromaticContact CD1-ND1 3.61Å; F158-H162 AromaticContact CE1-CE1 3.81Å; F158-H162 AromaticContact CG-CE1 3.91Å; F158-H162 AromaticContact CG-CG 3.94Å; F158-H162 AromaticContact CG-ND1 3.75Å; S159-H162 CarbonylContact O-C 3.41Å; S159-H162 WeakPolarHBondContact O-CA 3.31Å; S159-H162 WeakPolarHBondContact O-CB 3.44Å; S159-H162 PolarHBondContact O-N 3Å; S159-H162 WeakPolarHBondContact OG-CB 3.15Å; S159-H162 PolarHBondContact OG-N 3.11Å; E160-H162 VanDerWaalsContact C-N 3.31Å; E160-H162 PolarHBondContact O-N 3.4Å; H162-R164 VanDerWaalsContact C-N 3.27Å; H162-R164 PolarHBondContact O-N 2.97Å; H162-F165 WeakPolarHBondContact O-CB 3.37Å; H162-F165 PolarHBondContact O-N 3.37Å; H162-Y166 AromaticContact CD2-CD2 3.71Å; H162-Y166 AromaticContact CD2-CE2 3.18Å; H162-Y166 WeakPolarHBondContact CD2-CE2 3.47Å; H162-Y166 AromaticContact CD2-CZ 3.74Å; H162-Y166 AromaticContact NE2-CD2 3.98Å; H162-Y166 AromaticContact NE2-CE2 3Å; H162-Y166 WeakPolarHBondContact NE2-CE2 3.39Å; H162-Y166 AromaticContact NE2-CZ 3.35Å; H162-Y166 PolarHBondContact NE2-OH 3.36Å; H162-Y166 VanDerWaalsContact NE2-OH 3.13Å; H162-Y166 PolarHBondContact O-N 3.21Å; H162-P333 HydrophobicContact CB-CB 4.1Å; H162-P333 HydrophobicContact CB-CG 4.2Å; H162-P333 WeakPolarHBondContact CD2-CG 3.32Å
163	S	98.6	Very high	98	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-58.6	-38.7	173.2	-50.7	0	0	0	0	111.9	S159 E160 Y166 A167 M251	S159-S163 PolarHBondContact O-N 3.29Å; S159-S163 PolarHBondContact O-OG 3.35Å; E160-S163 PolarHBondContact O-N 3.15Å; S163-Y166 PolarHBondContact O-N 3.13Å; S163-A167 WeakPolarHBondContact O-CB 3.3Å; S163-A167 PolarHBondContact O-N 3.39Å; S163-M251 WeakPolarHBondContact O-CE 3.33Å
164	R	98.8	Very high	98.2	Very high	39 Å²	39	32.2 Å²	32.2	15%	0.147	16%	0.163	C	C	.	.	H	α-helix	trans	-65.4	-41.5	178.5	-173.7	-172.9	-57.4	112.3	11.4	112.4	E160 P161 H162 Y166 A167 A168 W316 F317 T320	E160-R164 VanDerWaalsContact O-CB 3.22Å; E160-R164 WeakPolarHBondContact O-CB 3.32Å; E160-R164 PolarHBondContact O-N 3.41Å; P161-R164 PolarHBondContact O-N 3.2Å; H162-R164 VanDerWaalsContact C-N 3.27Å; H162-R164 PolarHBondContact O-N 2.97Å; R164-Y166 VanDerWaalsContact C-N 3.32Å; R164-Y166 PolarHBondContact O-N 3.48Å; R164-A167 PolarHBondContact O-N 2.6Å; R164-A168 VanDerWaalsContact O-CB 3.31Å; R164-A168 WeakPolarHBondContact O-CB 3.42Å; R164-A168 PolarHBondContact O-N 3.3Å; R164-W316 HydrophobicContact CB-CE3 4.37Å; R164-W316 HydrophobicContact CB-CH2 3.55Å; R164-W316 HydrophobicContact CB-CZ2 3.92Å; R164-W316 HydrophobicContact CB-CZ3 3.77Å; R164-W316 WeakPolarHBondContact CD-O 3.25Å; R164-W316 HydrophobicContact CG-CE3 4.1Å; R164-W316 HydrophobicContact CG-CH2 4.16Å; R164-W316 HydrophobicContact CG-CZ3 3.85Å; R164-W316 PolarHBondContact NE-O 2.9Å; R164-F317 HydrophobicContact CG-CD1 3.7Å; R164-F317 HydrophobicContact CG-CE1 3.89Å; R164-T320 WeakPolarHBondContact CD-OG1 3.26Å
165	F	98.8	Very high	98.3	Very high	15 Å²	15	25.1 Å²	25.1	7%	0.066	14%	0.138	C	C	.	.	H	α-helix	trans	-57.3	-45.5	176.6	171.6	-99.2	0	0	0	111.6	P161 H162 Q169 Y199 I325 I330 A332 P333	P161-F165 PolarHBondContact O-N 3.49Å; H162-F165 WeakPolarHBondContact O-CB 3.37Å; H162-F165 PolarHBondContact O-N 3.37Å; F165-Q169 VanDerWaalsContact CD1-NE2 3.29Å; F165-Q169 PolarHBondContact O-NE2 3.2Å; F165-Y199 AromaticContact CE2-CE1 3.85Å; F165-Y199 HydrophobicContact CE2-CE1 3.85Å; F165-Y199 HydrophobicContact CE2-CE2 4.33Å; F165-Y199 AromaticContact CE2-CZ 3.74Å; F165-Y199 AromaticContact CZ-CD1 3.89Å; F165-Y199 HydrophobicContact CZ-CD1 3.89Å; F165-Y199 HydrophobicContact CZ-CD2 4.09Å; F165-Y199 AromaticContact CZ-CE1 3.65Å; F165-Y199 HydrophobicContact CZ-CE1 3.65Å; F165-Y199 AromaticContact CZ-CE2 3.87Å; F165-Y199 HydrophobicContact CZ-CE2 3.87Å; F165-Y199 HydrophobicContact CZ-CG 4.11Å; F165-Y199 AromaticContact CZ-CZ 3.63Å; F165-I325 HydrophobicContact CD2-CD1 3.57Å; F165-I325 HydrophobicContact CE2-CD1 3.79Å; F165-I330 HydrophobicContact CD2-CG2 3.98Å; F165-I330 HydrophobicContact CE2-CB 4.15Å; F165-I330 HydrophobicContact CE2-CG2 3.99Å; F165-A332 HydrophobicContact CE1-CB 4.05Å; F165-A332 HydrophobicContact CZ-CB 3.85Å; F165-P333 HydrophobicContact CB-CG 4.19Å; F165-P333 HydrophobicContact CD1-CG 3.76Å; F165-P333 HydrophobicContact CE1-CG 4.38Å; F165-P333 HydrophobicContact CG-CG 4.08Å
166	Y	98.8	Very high	98.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-71.7	-44.7	176.5	-69.1	-36.6	0	0	0	112.9	M148 F158 H162 S163 R164 A168 Q169 I170 G198 L200 M251	M148-Y166 HydrophobicContact CE-CD1 4.2Å; M148-Y166 HydrophobicContact CE-CD2 3.66Å; M148-Y166 HydrophobicContact CE-CE2 4.16Å; M148-Y166 HydrophobicContact CE-CG 3.69Å; F158-Y166 AromaticContact CD2-CD2 3.98Å; F158-Y166 HydrophobicContact CD2-CD2 3.98Å; F158-Y166 AromaticContact CD2-CE2 3.99Å; F158-Y166 HydrophobicContact CD2-CE2 3.99Å; F158-Y166 AromaticContact CE2-CD2 3.87Å; F158-Y166 HydrophobicContact CE2-CD2 3.87Å; F158-Y166 AromaticContact CE2-CE2 3.63Å; F158-Y166 HydrophobicContact CE2-CE2 3.63Å; F158-Y166 HydrophobicContact CZ-CE2 4.21Å; H162-Y166 AromaticContact CD2-CD2 3.71Å; H162-Y166 AromaticContact CD2-CE2 3.18Å; H162-Y166 WeakPolarHBondContact CD2-CE2 3.47Å; H162-Y166 AromaticContact CD2-CZ 3.74Å; H162-Y166 AromaticContact NE2-CD2 3.98Å; H162-Y166 AromaticContact NE2-CE2 3Å; H162-Y166 WeakPolarHBondContact NE2-CE2 3.39Å; H162-Y166 AromaticContact NE2-CZ 3.35Å; H162-Y166 PolarHBondContact NE2-OH 3.36Å; H162-Y166 VanDerWaalsContact NE2-OH 3.13Å; H162-Y166 PolarHBondContact O-N 3.21Å; S163-Y166 PolarHBondContact O-N 3.13Å; R164-Y166 VanDerWaalsContact C-N 3.32Å; R164-Y166 PolarHBondContact O-N 3.48Å; Y166-A168 PolarHBondContact O-N 2.97Å; Y166-Q169 WeakPolarHBondContact O-CB 3.24Å; Y166-Q169 PolarHBondContact O-N 2.96Å; Y166-I170 PolarHBondContact O-N 3.25Å; Y166-I170 VanDerWaalsContact O-N 3.17Å; Y166-G198 WeakPolarHBondContact CE1-O 3.4Å; Y166-L200 HydrophobicContact CD1-CD1 3.88Å; Y166-L200 HydrophobicContact CD1-CD2 3.62Å; Y166-L200 HydrophobicContact CD1-CG 3.6Å; Y166-L200 HydrophobicContact CE1-CD2 3.83Å; Y166-L200 HydrophobicContact CE1-CG 4.19Å; Y166-L200 HydrophobicContact CG-CD1 4.15Å; Y166-L200 HydrophobicContact CG-CD2 4.27Å; Y166-L200 HydrophobicContact CG-CG 4.33Å; Y166-M251 HydrophobicContact CD2-SD 3.98Å; Y166-M251 HydrophobicContact CG-SD 4.39Å
167	A	98.9	Very high	98.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.6	-37	177.4	0	0	0	0	0	112.3	S163 R164 Q169 I170 V171 L244 I248 M251 W316 F317	S163-A167 WeakPolarHBondContact O-CB 3.3Å; S163-A167 PolarHBondContact O-N 3.39Å; R164-A167 PolarHBondContact O-N 2.6Å; A167-Q169 VanDerWaalsContact C-N 3.29Å; A167-Q169 PolarHBondContact O-N 3.44Å; A167-I170 PolarHBondContact O-N 2.93Å; A167-V171 VanDerWaalsContact O-CG2 3.3Å; A167-V171 WeakPolarHBondContact O-CG2 3.25Å; A167-V171 PolarHBondContact O-N 2.87Å; A167-L244 HydrophobicContact CB-CD1 4.45Å; A167-I248 HydrophobicContact CB-CD1 3.85Å; A167-I248 HydrophobicContact CB-CG1 3.66Å; A167-M251 HydrophobicContact CB-CE 4.33Å; A167-W316 HydrophobicContact CB-CH2 4.4Å; A167-W316 HydrophobicContact CB-CZ3 4.08Å; A167-F317 HydrophobicContact CB-CE1 4.09Å; A167-F317 HydrophobicContact CB-CZ 3.86Å
168	A	98.9	Very high	98.6	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.4	-38.2	176.6	0	0	0	0	0	112.1	R164 Y166 V171 L172 F317 T320 W322 I325	R164-A168 VanDerWaalsContact O-CB 3.31Å; R164-A168 WeakPolarHBondContact O-CB 3.42Å; R164-A168 PolarHBondContact O-N 3.3Å; Y166-A168 PolarHBondContact O-N 2.97Å; A168-V171 PolarHBondContact O-N 3.13Å; A168-L172 WeakPolarHBondContact O-CG 3.45Å; A168-L172 PolarHBondContact O-N 3.04Å; A168-L172 VanDerWaalsContact O-N 3.13Å; A168-F317 HydrophobicContact CB-CE1 4.15Å; A168-T320 HydrophobicContact CB-CG2 3.72Å; A168-W322 HydrophobicContact CB-CE3 4.33Å; A168-W322 HydrophobicContact CB-CH2 4.16Å; A168-W322 HydrophobicContact CB-CZ3 3.75Å; A168-W322 WeakPolarHBondContact O-CZ3 3.27Å; A168-I325 HydrophobicContact CB-CG1 4.33Å; A168-I325 HydrophobicContact CB-CG2 4.32Å
169	Q	98.9	Very high	98.6	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-68	-42	176.9	-65.7	165.9	66.4	0	0	111.4	F122 F165 Y166 A167 L172 A173 Y199 L200 I325	F122-Q169 HydrophobicContact CD1-CB 4.3Å; F122-Q169 HydrophobicContact CD1-CG 4.15Å; F122-Q169 HydrophobicContact CD2-CB 3.8Å; F122-Q169 HydrophobicContact CD2-CG 4.19Å; F122-Q169 WeakPolarHBondContact CD2-O 3.5Å; F122-Q169 HydrophobicContact CE1-CG 3.96Å; F122-Q169 HydrophobicContact CE2-CB 4.04Å; F122-Q169 HydrophobicContact CE2-CG 4Å; F122-Q169 HydrophobicContact CG-CB 3.96Å; F122-Q169 HydrophobicContact CG-CG 4.28Å; F122-Q169 HydrophobicContact CZ-CB 4.4Å; F122-Q169 HydrophobicContact CZ-CG 3.88Å; F165-Q169 VanDerWaalsContact CD1-NE2 3.29Å; F165-Q169 PolarHBondContact O-NE2 3.2Å; Y166-Q169 WeakPolarHBondContact O-CB 3.24Å; Y166-Q169 PolarHBondContact O-N 2.96Å; A167-Q169 VanDerWaalsContact C-N 3.29Å; A167-Q169 PolarHBondContact O-N 3.44Å; Q169-L172 PolarHBondContact O-N 3.23Å; Q169-A173 WeakPolarHBondContact O-CB 3.33Å; Q169-A173 PolarHBondContact O-N 3.07Å; Q169-Y199 HydrophobicContact CG-CD1 4.31Å; Q169-Y199 VanDerWaalsContact OE1-CD1 3.28Å; Q169-L200 HydrophobicContact CB-CD1 4.36Å; Q169-I325 HydrophobicContact CG-CG2 3.7Å
170	I	98.9	Very high	98.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-64.2	-40.8	176	-56.2	-55.3	0	0	0	111.4	Y166 A167 L172 A173 F174 L187 L192 L200 I202 L244 L247	Y166-I170 PolarHBondContact O-N 3.25Å; Y166-I170 VanDerWaalsContact O-N 3.17Å; A167-I170 PolarHBondContact O-N 2.93Å; I170-L172 VanDerWaalsContact C-N 3.33Å; I170-L172 PolarHBondContact O-N 2.91Å; I170-A173 PolarHBondContact O-N 3.13Å; I170-F174 HydrophobicContact CG2-CD1 4.5Å; I170-F174 HydrophobicContact CG2-CD2 3.9Å; I170-F174 HydrophobicContact CG2-CE1 4.29Å; I170-F174 HydrophobicContact CG2-CE2 3.63Å; I170-F174 HydrophobicContact CG2-CG 4.34Å; I170-F174 HydrophobicContact CG2-CZ 3.86Å; I170-F174 WeakPolarHBondContact O-CB 3.23Å; I170-F174 PolarHBondContact O-N 2.72Å; I170-L187 HydrophobicContact CD1-CD1 4.18Å; I170-L187 HydrophobicContact CG2-CD1 4.05Å; I170-L187 HydrophobicContact CG2-CD2 3.99Å; I170-L192 HydrophobicContact CD1-CD1 4.13Å; I170-L192 HydrophobicContact CD1-CD2 3.61Å; I170-L200 HydrophobicContact CD1-CD1 3.78Å; I170-L200 HydrophobicContact CG1-CD1 4.14Å; I170-I202 HydrophobicContact CD1-CD1 3.76Å; I170-I202 HydrophobicContact CD1-CG1 3.99Å; I170-L244 HydrophobicContact CB-CD1 3.99Å; I170-L244 HydrophobicContact CG2-CD1 3.83Å; I170-L247 HydrophobicContact CG1-CD2 3.97Å
171	V	98.9	Very high	98.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-58.8	-45.1	175.5	168.2	0	0	0	0	111.2	A167 A168 F174 E175 W241 L244 V308 I311 K312 F317 W322	A167-V171 VanDerWaalsContact O-CG2 3.3Å; A167-V171 WeakPolarHBondContact O-CG2 3.25Å; A167-V171 PolarHBondContact O-N 2.87Å; A168-V171 PolarHBondContact O-N 3.13Å; V171-F174 PolarHBondContact O-N 3.38Å; V171-E175 WeakPolarHBondContact O-CB 3.32Å; V171-E175 PolarHBondContact O-N 3.31Å; V171-W241 HydrophobicContact CG2-CZ3 4.29Å; V171-L244 HydrophobicContact CG2-CD2 3.51Å; V171-V308 HydrophobicContact CG1-CG2 3.73Å; V171-I311 HydrophobicContact CG1-CG2 4.47Å; V171-I311 HydrophobicContact CG2-CG2 3.8Å; V171-K312 HydrophobicContact CG1-CD 4.24Å; V171-K312 HydrophobicContact CG1-CG 3.73Å; V171-F317 HydrophobicContact CG2-CZ 4.19Å; V171-W322 HydrophobicContact CB-CH2 4.02Å; V171-W322 HydrophobicContact CB-CZ3 3.79Å; V171-W322 HydrophobicContact CG1-CH2 3.79Å; V171-W322 HydrophobicContact CG1-CZ3 3.66Å; V171-W322 HydrophobicContact CG2-CH2 4.34Å
172	L	98.6	Very high	98.5	Very high	10 Å²	10	9.5 Å²	9.5	5%	0.052	5%	0.046	C	C	.	.	H	α-helix	trans	-66.5	-40.5	177.1	-69.4	171.4	0	0	0	112	F120 F122 A168 Q169 I170 E175 Y176 W322 I325	F120-L172 HydrophobicContact CE1-CB 4.13Å; F120-L172 HydrophobicContact CZ-CB 4.07Å; F120-L172 WeakPolarHBondContact CZ-O 3.39Å; F122-L172 HydrophobicContact CD2-CB 4.32Å; F122-L172 HydrophobicContact CE2-CB 4.05Å; F122-L172 HydrophobicContact CE2-CD1 3.8Å; A168-L172 WeakPolarHBondContact O-CG 3.45Å; A168-L172 PolarHBondContact O-N 3.04Å; A168-L172 VanDerWaalsContact O-N 3.13Å; Q169-L172 PolarHBondContact O-N 3.23Å; I170-L172 VanDerWaalsContact C-N 3.33Å; I170-L172 PolarHBondContact O-N 2.91Å; L172-E175 PolarHBondContact O-N 3.4Å; L172-Y176 WeakPolarHBondContact O-CB 3.41Å; L172-Y176 PolarHBondContact O-N 2.94Å; L172-W322 HydrophobicContact CD1-CE3 4.18Å; L172-W322 HydrophobicContact CD2-CE3 3.93Å; L172-W322 HydrophobicContact CG-CE3 3.86Å; L172-W322 HydrophobicContact CG-CZ3 4.26Å; L172-I325 HydrophobicContact CD1-CB 4.25Å; L172-I325 HydrophobicContact CD1-CG2 3.75Å
173	A	98.7	Very high	98.5	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-64.1	-41.6	176.9	0	0	0	0	0	112.1	F120 L123 Q169 I170 Y176 L177 I202	F120-A173 HydrophobicContact CD1-CB 4.39Å; F120-A173 HydrophobicContact CE1-CB 4.32Å; L123-A173 HydrophobicContact CD2-CB 3.94Å; Q169-A173 WeakPolarHBondContact O-CB 3.33Å; Q169-A173 PolarHBondContact O-N 3.07Å; I170-A173 PolarHBondContact O-N 3.13Å; A173-Y176 WeakPolarHBondContact O-CB 3.46Å; A173-Y176 PolarHBondContact O-N 3.07Å; A173-L177 WeakPolarHBondContact O-CB 3.32Å; A173-L177 WeakPolarHBondContact O-CG 3.38Å; A173-L177 PolarHBondContact O-N 2.76Å; A173-I202 HydrophobicContact CB-CD1 3.58Å
174	F	98.8	Very high	98.5	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-70.9	-38.6	174.8	-73.1	-11	0	0	0	112.7	I170 V171 Y176 L177 H178 Y184 L187 D240 W241 L244	I170-F174 HydrophobicContact CG2-CD1 4.5Å; I170-F174 HydrophobicContact CG2-CD2 3.9Å; I170-F174 HydrophobicContact CG2-CE1 4.29Å; I170-F174 HydrophobicContact CG2-CE2 3.63Å; I170-F174 HydrophobicContact CG2-CG 4.34Å; I170-F174 HydrophobicContact CG2-CZ 3.86Å; I170-F174 WeakPolarHBondContact O-CB 3.23Å; I170-F174 PolarHBondContact O-N 2.72Å; V171-F174 PolarHBondContact O-N 3.38Å; F174-Y176 VanDerWaalsContact C-N 3.26Å; F174-Y176 PolarHBondContact O-N 2.59Å; F174-L177 HydrophobicContact CD1-CD1 4.38Å; F174-L177 PolarHBondContact O-N 3.36Å; F174-H178 WeakPolarHBondContact O-CB 3.41Å; F174-H178 PolarHBondContact O-CD2 3.04Å; F174-H178 PolarHBondContact O-N 2.83Å; F174-Y184 HydrophobicContact CE1-CD1 4.05Å; F174-Y184 HydrophobicContact CE1-CG 4.24Å; F174-Y184 HydrophobicContact CZ-CD1 4.38Å; F174-L187 HydrophobicContact CE2-CD2 3.94Å; F174-L187 HydrophobicContact CZ-CB 4.09Å; F174-L187 HydrophobicContact CZ-CD1 4.09Å; F174-L187 HydrophobicContact CZ-CD2 3.81Å; F174-L187 HydrophobicContact CZ-CG 4.22Å; F174-D240 HydrophobicContact CD2-CB 3.91Å; F174-D240 HydrophobicContact CE1-CB 4.29Å; F174-D240 HydrophobicContact CE2-CB 3.65Å; F174-D240 VanDerWaalsContact CE2-O 3.25Å; F174-D240 WeakPolarHBondContact CE2-O 3.48Å; F174-D240 HydrophobicContact CG-CB 4.35Å; F174-D240 HydrophobicContact CZ-CB 3.83Å; F174-W241 HydrophobicContact CB-CH2 3.53Å; F174-W241 HydrophobicContact CB-CZ2 4.05Å; F174-W241 HydrophobicContact CB-CZ3 3.86Å; F174-W241 HydrophobicContact CD2-CE3 4.02Å; F174-W241 HydrophobicContact CD2-CH2 4.39Å; F174-W241 AromaticContact CD2-CZ3 3.88Å; F174-W241 HydrophobicContact CD2-CZ3 3.88Å; F174-W241 HydrophobicContact CG-CZ3 4.41Å; F174-L244 HydrophobicContact CE2-CB 4.29Å
175	E	98.3	Very high	98.5	Very high	30 Å²	30	7.8 Å²	7.8	14%	0.14	4%	0.039	C	C	.	.	H	α-helix	trans	-55.2	-45.8	171.8	-177.7	170.2	-143.6	0	0	110.7	L39 V171 L172 S179 V308 K312	L39-E175 HydrophobicContact CD1-CG 4.16Å; V171-E175 WeakPolarHBondContact O-CB 3.32Å; V171-E175 PolarHBondContact O-N 3.31Å; L172-E175 PolarHBondContact O-N 3.4Å; E175-S179 WeakPolarHBondContact O-CB 3.12Å; E175-S179 PolarHBondContact O-N 2.84Å; E175-V308 HydrophobicContact CB-CG2 4.31Å; E175-V308 HydrophobicContact CG-CG1 4Å; E175-V308 VanDerWaalsContact OE1-CG1 3.31Å; E175-V308 WeakPolarHBondContact OE1-CG1 3.33Å; E175-K312 IonicContact OE1-NZ 2.66Å; E175-K312 PolarHBondContact OE1-NZ 3.41Å; E175-K312 IonicContact OE2-NZ 2.82Å; E175-K312 PolarHBondContact OE2-NZ 3.27Å
176	Y	98.5	Very high	98.4	Very high	4 Å²	4	7.4 Å²	7.4	2%	0.016	4%	0.038	C	C	.	.	H	α-helix	trans	-61.3	-58.5	173.2	171.7	-94.6	0	0	0	112.4	A42 I118 D119 F120 L123 L172 A173 F174 H178 S179 L180	A42-Y176 HydrophobicContact CB-CD2 4.34Å; A42-Y176 HydrophobicContact CB-CE2 3.84Å; I118-Y176 WeakPolarHBondContact CA-OH 3.47Å; I118-Y176 HydrophobicContact CB-CE1 4.17Å; I118-Y176 HydrophobicContact CG2-CE1 4.31Å; D119-Y176 PolarHBondContact N-OH 2.93Å; D119-Y176 WeakPolarHBondContact O-CE2 3.26Å; D119-Y176 PolarHBondContact O-OH 3.33Å; F120-Y176 HydrophobicContact CB-CD1 3.79Å; F120-Y176 HydrophobicContact CB-CD2 4.27Å; F120-Y176 HydrophobicContact CB-CE1 3.81Å; F120-Y176 HydrophobicContact CB-CE2 4.23Å; F120-Y176 HydrophobicContact CB-CG 4.04Å; F120-Y176 HydrophobicContact CD1-CD1 4.5Å; F120-Y176 HydrophobicContact CD1-CG 4.35Å; F120-Y176 HydrophobicContact CD2-CD1 4.07Å; F120-Y176 AromaticContact CD2-CD2 3.31Å; F120-Y176 HydrophobicContact CD2-CD2 3.31Å; F120-Y176 AromaticContact CD2-CE2 3.87Å; F120-Y176 HydrophobicContact CD2-CE2 3.87Å; F120-Y176 AromaticContact CD2-CG 3.41Å; F120-Y176 HydrophobicContact CD2-CG 3.41Å; F120-Y176 VanDerWaalsContact CD2-CG 3.41Å; F120-Y176 AromaticContact CE2-CD2 3.87Å; F120-Y176 HydrophobicContact CE2-CD2 3.87Å; F120-Y176 AromaticContact CE2-CG 3.92Å; F120-Y176 HydrophobicContact CE2-CG 3.92Å; F120-Y176 AromaticContact CG-CD1 3.87Å; F120-Y176 HydrophobicContact CG-CD1 3.87Å; F120-Y176 AromaticContact CG-CD2 3.98Å; F120-Y176 HydrophobicContact CG-CD2 3.98Å; F120-Y176 HydrophobicContact CG-CE1 4.36Å; F120-Y176 HydrophobicContact CG-CE2 4.4Å; F120-Y176 AromaticContact CG-CG 3.67Å; F120-Y176 HydrophobicContact CG-CG 3.67Å; L123-Y176 HydrophobicContact CD1-CD1 3.78Å; L123-Y176 HydrophobicContact CD1-CE1 3.74Å; L172-Y176 WeakPolarHBondContact O-CB 3.41Å; L172-Y176 PolarHBondContact O-N 2.94Å; A173-Y176 WeakPolarHBondContact O-CB 3.46Å; A173-Y176 PolarHBondContact O-N 3.07Å; F174-Y176 VanDerWaalsContact C-N 3.26Å; F174-Y176 PolarHBondContact O-N 2.59Å; Y176-H178 VanDerWaalsContact C-N 3.35Å; Y176-H178 PolarHBondContact O-N 2.71Å; Y176-S179 WeakPolarHBondContact O-CB 3.11Å; Y176-S179 PolarHBondContact O-N 3.45Å; Y176-S179 PolarHBondContact O-OG 2.73Å; Y176-L180 HydrophobicContact CD1-CD1 4.23Å; Y176-L180 HydrophobicContact CE1-CD1 3.57Å; Y176-L180 HydrophobicContact CE2-CD1 4.18Å; Y176-L180 PolarHBondContact O-N 3.48Å
177	L	98.6	Very high	98.4	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.005	4%	0.038	C	C	.	.	H	α-helix	trans	-59.7	-43.5	-175.9	-72.1	173.8	0	0	0	112.1	I118 L123 A173 F174 S179 L180 L182 F205	I118-L177 HydrophobicContact CG2-CD2 4.16Å; L123-L177 HydrophobicContact CD1-CD2 3.83Å; L123-L177 HydrophobicContact CD1-CG 4.15Å; L123-L177 HydrophobicContact CD2-CD1 4.39Å; A173-L177 WeakPolarHBondContact O-CB 3.32Å; A173-L177 WeakPolarHBondContact O-CG 3.38Å; A173-L177 PolarHBondContact O-N 2.76Å; F174-L177 HydrophobicContact CD1-CD1 4.38Å; F174-L177 PolarHBondContact O-N 3.36Å; L177-S179 PolarHBondContact O-N 2.86Å; L177-L180 WeakPolarHBondContact O-CA 3.36Å; L177-L180 WeakPolarHBondContact O-CB 3.39Å; L177-L180 PolarHBondContact O-N 2.8Å; L177-L182 CarbonylContact C-O 3.52Å; L177-L182 HydrophobicContact CB-CB 4.19Å; L177-L182 HydrophobicContact CD2-CB 4.25Å; L177-L182 HydrophobicContact CD2-CD1 3.77Å; L177-L182 WeakPolarHBondContact O-CB 3.47Å; L177-L182 PolarHBondContact O-N 3.14Å; L177-F205 HydrophobicContact CD1-CE1 4.2Å; L177-F205 HydrophobicContact CD2-CE1 4.11Å
178	H	98.1	Very high	98.4	Very high	14 Å²	14	9 Å²	9	7%	0.065	5%	0.045	C	C	.	.	H	α-helix	trans	-67.7	-26.5	179.5	-66.1	-175.6	0	0	0	112	F174 Y176 L180 D181 L182 K237 D240 W241	F174-H178 WeakPolarHBondContact O-CB 3.41Å; F174-H178 PolarHBondContact O-CD2 3.04Å; F174-H178 PolarHBondContact O-N 2.83Å; Y176-H178 VanDerWaalsContact C-N 3.35Å; Y176-H178 PolarHBondContact O-N 2.71Å; H178-L180 PolarHBondContact O-N 2.95Å; H178-D181 PolarHBondContact O-N 3.3Å; H178-L182 PolarHBondContact CD2-O 3.43Å; H178-L182 VanDerWaalsContact CD2-O 3.25Å; H178-K237 HydrophobicContact CB-CD 3.93Å; H178-K237 PolarHBondContact CE1-O 2.8Å; H178-D240 IonicContact CD2-OD2 3.68Å; H178-D240 IonicContact CE1-OD2 3.59Å; H178-D240 IonicContact NE2-OD2 3.31Å; H178-D240 PolarHBondContact NE2-OD2 2.8Å; H178-W241 AromaticContact CE1-CE2 3.68Å; H178-W241 AromaticContact CE1-CZ2 3.89Å; H178-W241 AromaticContact CE1-NE1 3.56Å; H178-W241 AromaticContact ND1-CE2 3.7Å; H178-W241 AromaticContact ND1-CZ2 3.65Å; H178-W241 AromaticContact ND1-NE1 3.51Å
179	S	97.2	Very high	98.3	Very high	17 Å²	17	9 Å²	9	12%	0.119	5%	0.045	C	C	.	.	H	α-helix	trans	-69.2	-16.9	172.7	83.1	0	0	0	0	113.6	R43 E175 Y176 L177	R43-S179 PolarHBondContact NE-O 3.22Å; R43-S179 PolarHBondContact NH2-O 2.94Å; E175-S179 WeakPolarHBondContact O-CB 3.12Å; E175-S179 PolarHBondContact O-N 2.84Å; Y176-S179 WeakPolarHBondContact O-CB 3.11Å; Y176-S179 PolarHBondContact O-N 3.45Å; Y176-S179 PolarHBondContact O-OG 2.73Å; L177-S179 PolarHBondContact O-N 2.86Å
180	L	98	Very high	98.2	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.005	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	7.7	177.7	-53.9	179.4	0	0	0	113.1	R43 F46 I118 Y176 L177 H178 L182	R43-L180 HydrophobicContact CB-CD2 4Å; R43-L180 HydrophobicContact CG-CD2 4.18Å; F46-L180 HydrophobicContact CB-CD1 4.1Å; F46-L180 HydrophobicContact CB-CD2 3.74Å; F46-L180 HydrophobicContact CB-CG 4.49Å; F46-L180 HydrophobicContact CD1-CB 4.19Å; F46-L180 HydrophobicContact CD1-CD1 4.42Å; F46-L180 HydrophobicContact CD1-CD2 4.04Å; F46-L180 HydrophobicContact CD1-CG 4.44Å; F46-L180 HydrophobicContact CD2-CD1 3.69Å; F46-L180 HydrophobicContact CE1-CB 4.24Å; F46-L180 HydrophobicContact CE2-CD1 4.23Å; F46-L180 HydrophobicContact CG-CB 4.4Å; F46-L180 HydrophobicContact CG-CD1 3.81Å; F46-L180 HydrophobicContact CG-CD2 3.88Å; F46-L180 HydrophobicContact CG-CG 4.24Å; I118-L180 HydrophobicContact CG2-CD1 4.37Å; Y176-L180 HydrophobicContact CD1-CD1 4.23Å; Y176-L180 HydrophobicContact CE1-CD1 3.57Å; Y176-L180 HydrophobicContact CE2-CD1 4.18Å; Y176-L180 PolarHBondContact O-N 3.48Å; L177-L180 WeakPolarHBondContact O-CA 3.36Å; L177-L180 WeakPolarHBondContact O-CB 3.39Å; L177-L180 PolarHBondContact O-N 2.8Å; H178-L180 PolarHBondContact O-N 2.95Å; L180-L182 HydrophobicContact CB-CD1 4.05Å; L180-L182 HydrophobicContact CB-CG 4.11Å; L180-L182 HydrophobicContact CD1-CD1 4.14Å; L180-L182 PolarHBondContact O-N 3.31Å
181	D	97.9	Very high	98.1	Very high	49 Å²	49	12.6 Å²	12.6	26%	0.262	6%	0.062	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	22.9	-170.2	-53.3	-51.9	0	0	0	113.6	H178 R210 V211 K212	H178-D181 PolarHBondContact O-N 3.3Å; D181-R210 HydrophobicContact CB-CG 4.15Å; D181-R210 CarbonylContact O-C 3.58Å; D181-R210 VanDerWaalsContact O-CA 3.26Å; D181-R210 WeakPolarHBondContact O-CA 3.46Å; D181-V211 PolarHBondContact O-N 3.46Å; D181-K212 HydrophobicContact CB-CG 4.19Å; D181-K212 WeakPolarHBondContact OD2-CE 3.18Å; D181-K212 WeakPolarHBondContact OD2-CG 3.27Å
182	L	98.5	Very high	98.1	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.005	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	130.8	177.2	-64.9	170.2	0	0	0	110.7	F46 I114 I118 L177 H178 L180 K209 R210	F46-L182 HydrophobicContact CE2-CD1 3.86Å; F46-L182 HydrophobicContact CZ-CD1 4.04Å; F46-L182 HydrophobicContact CZ-CD2 4.4Å; F46-L182 HydrophobicContact CZ-CG 4.36Å; I114-L182 HydrophobicContact CD1-CD2 3.85Å; I114-L182 HydrophobicContact CG1-CD2 3.88Å; I114-L182 HydrophobicContact CG2-CD1 4.08Å; I114-L182 HydrophobicContact CG2-CD2 4.45Å; I118-L182 HydrophobicContact CG2-CD1 3.71Å; L177-L182 CarbonylContact C-O 3.52Å; L177-L182 HydrophobicContact CB-CB 4.19Å; L177-L182 HydrophobicContact CD2-CB 4.25Å; L177-L182 HydrophobicContact CD2-CD1 3.77Å; L177-L182 WeakPolarHBondContact O-CB 3.47Å; L177-L182 PolarHBondContact O-N 3.14Å; H178-L182 PolarHBondContact CD2-O 3.43Å; H178-L182 VanDerWaalsContact CD2-O 3.25Å; L180-L182 HydrophobicContact CB-CD1 4.05Å; L180-L182 HydrophobicContact CB-CG 4.11Å; L180-L182 HydrophobicContact CD1-CD1 4.14Å; L180-L182 PolarHBondContact O-N 3.31Å; L182-K209 WeakPolarHBondContact CA-O 3.37Å; L182-R210 HydrophobicContact CD2-CB 3.75Å; L182-R210 HydrophobicContact CD2-CG 4.17Å
183	I	98.3	Very high	98	Very high	3 Å²	3	13.1 Å²	13.1	2%	0.015	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	130.9	169	-47.7	173.6	0	0	0	107.3	R185 A208 K209 V211 K237 V239 D240	I183-R185 HydrophobicContact CB-CG 4.06Å; I183-R185 HydrophobicContact CG2-CG 3.43Å; I183-R185 VanDerWaalsContact CG2-CG 3.43Å; I183-A208 CarbonylContact O-C 3.48Å; I183-A208 WeakPolarHBondContact O-CA 3.23Å; I183-K209 PolarHBondContact N-O 3.25Å; I183-K209 PolarHBondContact O-N 3.37Å; I183-V211 HydrophobicContact CD1-CB 4.14Å; I183-K237 HydrophobicContact CG1-CB 4.27Å; I183-V239 HydrophobicContact CG2-CG2 3.79Å; I183-D240 WeakPolarHBondContact CG2-OD2 3.46Å
184	Y	98.6	Very high	97.9	Very high	1 Å²	1	13.1 Å²	13.1	0%	0.004	7%	0.065	C	C	.	.			trans	-83.5	-45.8	-173.2	-179.5	-113.9	0	0	0	113.4	F174 D186 L187 N191 I202 T203 D204 F205 F207 A208 D240	F174-Y184 HydrophobicContact CE1-CD1 4.05Å; F174-Y184 HydrophobicContact CE1-CG 4.24Å; F174-Y184 HydrophobicContact CZ-CD1 4.38Å; Y184-D186 VanDerWaalsContact C-N 3.27Å; Y184-D186 WeakPolarHBondContact CE1-O 3.3Å; Y184-D186 PolarHBondContact O-N 3.24Å; Y184-D186 VanDerWaalsContact O-N 3.15Å; Y184-L187 HydrophobicContact CD1-CB 4.16Å; Y184-L187 HydrophobicContact CE1-CB 4.2Å; Y184-L187 HydrophobicContact CE1-CD1 4.48Å; Y184-N191 WeakPolarHBondContact OH-CB 3.37Å; Y184-I202 HydrophobicContact CD2-CG2 4.39Å; Y184-I202 HydrophobicContact CE1-CG2 3.98Å; Y184-I202 HydrophobicContact CE2-CG2 3.63Å; Y184-I202 VanDerWaalsContact CZ-CG2 3.41Å; Y184-I202 WeakPolarHBondContact OH-CG2 3.29Å; Y184-T203 PolarHBondContact OH-O 3.42Å; Y184-D204 VanDerWaalsContact CE2-O 3.29Å; Y184-D204 WeakPolarHBondContact CE2-O 3.31Å; Y184-D204 PolarHBondContact OH-O 3.3Å; Y184-F205 HydrophobicContact CD2-CD1 4.06Å; Y184-F205 HydrophobicContact CD2-CE1 4.01Å; Y184-F205 HydrophobicContact CD2-CZ 4.49Å; Y184-F205 HydrophobicContact CE2-CD1 4.18Å; Y184-F205 HydrophobicContact CE2-CD2 4.38Å; Y184-F205 HydrophobicContact CE2-CE1 4.2Å; Y184-F205 HydrophobicContact CE2-CE2 4.41Å; Y184-F205 HydrophobicContact CE2-CG 4.28Å; Y184-F205 HydrophobicContact CE2-CZ 4.33Å; Y184-F207 CarbonylContact O-C 3.52Å; Y184-A208 HydrophobicContact CD2-CB 4.48Å; Y184-A208 PolarHBondContact O-N 2.73Å; Y184-D240 PolarHBondContact N-OD1 2.89Å; Y184-D240 PolarHBondContact N-OD2 3.25Å
185	R	98.3	Very high	97.8	Very high	17 Å²	17	13.8 Å²	13.8	6%	0.064	7%	0.068	C	C	.	.			trans	66.8	-0.2	169.6	-51.2	-170.7	-68	166.1	4.2	118.4	I183 F207 C219 Y235 V239 D240	I183-R185 HydrophobicContact CB-CG 4.06Å; I183-R185 HydrophobicContact CG2-CG 3.43Å; I183-R185 VanDerWaalsContact CG2-CG 3.43Å; R185-F207 HydrophobicContact CB-CB 4.26Å; R185-F207 PolarHBondContact NE-O 3.22Å; R185-F207 PolarHBondContact NH2-O 3.22Å; R185-C219 VanDerWaalsContact CZ-SG 3.58Å; R185-C219 PolarHBondContact NH1-SG 3.34Å; R185-Y235 WeakPolarHBondContact CD-OH 3.49Å; R185-Y235 HydrophobicContact CG-CE2 4.48Å; R185-Y235 PolarHBondContact NH1-OH 2.9Å; R185-V239 HydrophobicContact CG-CG2 4.39Å; R185-D240 PolarHBondContact N-OD1 3.46Å
186	D	97.6	Very high	97.6	Very high	7 Å²	7	15.8 Å²	15.8	4%	0.037	9%	0.085	C	C	.	.			trans	-139.2	43.9	175.4	-152.1	32.6	0	0	0	113.5	Y184 K188 N191 F207 G220 T221	Y184-D186 VanDerWaalsContact C-N 3.27Å; Y184-D186 WeakPolarHBondContact CE1-O 3.3Å; Y184-D186 PolarHBondContact O-N 3.24Å; Y184-D186 VanDerWaalsContact O-N 3.15Å; D186-K188 PolarHBondContact O-N 3.46Å; D186-K188 IonicContact OD1-NZ 2.69Å; D186-K188 PolarHBondContact OD1-NZ 3.22Å; D186-K188 VanDerWaalsContact OD2-CE 3.24Å; D186-K188 WeakPolarHBondContact OD2-CE 3.3Å; D186-K188 IonicContact OD2-NZ 3.56Å; D186-K188 PolarHBondContact OD2-NZ 3.39Å; D186-N191 PolarHBondContact O-ND2 2.82Å; D186-N191 PolarHBondContact OD2-ND2 2.99Å; D186-F207 HydrophobicContact CB-CB 4.45Å; D186-F207 HydrophobicContact CB-CD2 3.81Å; D186-G220 WeakPolarHBondContact OD1-CA 3.26Å; D186-T221 PolarHBondContact OD1-N 2.72Å; D186-T221 PolarHBondContact OD1-OG1 3.38Å
187	L	98.8	Very high	97.5	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	10%	0.104	C	C	.	.			trans	-68.5	123.3	173.1	-174	73.6	0	0	0	109.9	I170 F174 Y184 L192 Y224 A243 L244 L247	I170-L187 HydrophobicContact CD1-CD1 4.18Å; I170-L187 HydrophobicContact CG2-CD1 4.05Å; I170-L187 HydrophobicContact CG2-CD2 3.99Å; F174-L187 HydrophobicContact CE2-CD2 3.94Å; F174-L187 HydrophobicContact CZ-CB 4.09Å; F174-L187 HydrophobicContact CZ-CD1 4.09Å; F174-L187 HydrophobicContact CZ-CD2 3.81Å; F174-L187 HydrophobicContact CZ-CG 4.22Å; Y184-L187 HydrophobicContact CD1-CB 4.16Å; Y184-L187 HydrophobicContact CE1-CB 4.2Å; Y184-L187 HydrophobicContact CE1-CD1 4.48Å; L187-L192 HydrophobicContact CD1-CD1 4.28Å; L187-L192 HydrophobicContact CD1-CD2 4.02Å; L187-L192 HydrophobicContact CD1-CG 4.45Å; L187-Y224 WeakPolarHBondContact O-CD1 3.43Å; L187-Y224 WeakPolarHBondContact O-CE1 3.32Å; L187-A243 HydrophobicContact CB-CB 3.95Å; L187-A243 HydrophobicContact CD2-CB 4.18Å; L187-L244 HydrophobicContact CD2-CB 4.4Å; L187-L247 HydrophobicContact CD1-CD2 4.12Å; L187-L247 HydrophobicContact CD2-CB 4.04Å; L187-L247 HydrophobicContact CD2-CD2 3.84Å; L187-L247 HydrophobicContact CG-CD2 4.1Å
188	K	97.9	Very high	97.4	Very high	32 Å²	32	18.7 Å²	18.7	14%	0.139	10%	0.104	C	C	.	.	S	Bend	trans	-164.8	159	173.9	61.1	-175.3	164.5	-158.5	0	109.6	D186 E190 N191 L192 T221 Y224	D186-K188 PolarHBondContact O-N 3.46Å; D186-K188 IonicContact OD1-NZ 2.69Å; D186-K188 PolarHBondContact OD1-NZ 3.22Å; D186-K188 VanDerWaalsContact OD2-CE 3.24Å; D186-K188 WeakPolarHBondContact OD2-CE 3.3Å; D186-K188 IonicContact OD2-NZ 3.56Å; D186-K188 PolarHBondContact OD2-NZ 3.39Å; K188-E190 VanDerWaalsContact CB-OE2 3.27Å; K188-E190 WeakPolarHBondContact CB-OE2 3.37Å; K188-E190 HydrophobicContact CD-CB 4.21Å; K188-E190 WeakPolarHBondContact CD-OE2 3.43Å; K188-E190 HydrophobicContact CG-CB 4.15Å; K188-E190 VanDerWaalsContact CG-OE2 3.28Å; K188-E190 WeakPolarHBondContact CG-OE2 3.27Å; K188-E190 PolarHBondContact O-N 2.8Å; K188-E190 VanDerWaalsContact O-N 3.15Å; K188-N191 VanDerWaalsContact CE-CG 3.44Å; K188-N191 VanDerWaalsContact CE-ND2 3.26Å; K188-N191 WeakPolarHBondContact CE-ND2 3.32Å; K188-N191 WeakPolarHBondContact CE-OD1 3.35Å; K188-N191 HydrophobicContact CG-CB 4.16Å; K188-N191 PolarHBondContact O-N 3.48Å; K188-L192 WeakPolarHBondContact O-CG 3.49Å; K188-T221 HydrophobicContact CD-CG2 4.2Å; K188-T221 WeakPolarHBondContact CD-OG1 3.31Å; K188-T221 PolarHBondContact NZ-OG1 2.81Å; K188-Y224 HydrophobicContact CB-CD2 4.07Å; K188-Y224 HydrophobicContact CB-CE2 3.96Å; K188-Y224 HydrophobicContact CB-CG 4.48Å
189	P	97.7	Very high	97.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-58	-27	-177.6	-25.2	35	0	0	0	114.5	M148 F149 L152 N191 L192 Y224 L247	M148-P189 HydrophobicContact CB-CB 4.45Å; M148-P189 HydrophobicContact CG-CB 4.37Å; M148-P189 HydrophobicContact SD-CB 4.49Å; F149-P189 HydrophobicContact CB-CB 3.86Å; F149-P189 HydrophobicContact CD2-CB 4.22Å; F149-P189 PolarHBondContact N-O 3.05Å; L152-P189 HydrophobicContact CD2-CG 4.46Å; P189-N191 VanDerWaalsContact C-N 3.33Å; P189-L192 PolarHBondContact O-N 2.83Å; P189-Y224 VanDerWaalsContact CD-OH 3.27Å; P189-Y224 WeakPolarHBondContact CD-OH 3.46Å; P189-L247 HydrophobicContact CG-CD1 3.88Å
190	E	95.4	Very high	97.5	Very high	66 Å²	66	17.5 Å²	17.5	31%	0.308	10%	0.096	S	C	.	.	G	3₁₀ helix	trans	-67.8	-32.5	177.6	-60.1	88.4	155.2	0	0	111.8	F149 K188 L192	F149-E190 HydrophobicContact CB-CG 4.02Å; F149-E190 HydrophobicContact CD2-CG 3.9Å; F149-E190 WeakPolarHBondContact CD2-OE1 3.49Å; F149-E190 WeakPolarHBondContact CE2-OE1 3.3Å; F149-E190 HydrophobicContact CG-CG 3.94Å; K188-E190 VanDerWaalsContact CB-OE2 3.27Å; K188-E190 WeakPolarHBondContact CB-OE2 3.37Å; K188-E190 HydrophobicContact CD-CB 4.21Å; K188-E190 WeakPolarHBondContact CD-OE2 3.43Å; K188-E190 HydrophobicContact CG-CB 4.15Å; K188-E190 VanDerWaalsContact CG-OE2 3.28Å; K188-E190 WeakPolarHBondContact CG-OE2 3.27Å; K188-E190 PolarHBondContact O-N 2.8Å; K188-E190 VanDerWaalsContact O-N 3.15Å; E190-L192 VanDerWaalsContact C-N 3.29Å; E190-L192 PolarHBondContact O-N 2.91Å
191	N	97.3	Very high	97.5	Very high	11 Å²	11	18 Å²	18	6%	0.059	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-90.5	9.2	179	-70.8	-3.4	0	0	0	113.1	Y184 D186 K188 P189 T203	Y184-N191 WeakPolarHBondContact OH-CB 3.37Å; D186-N191 PolarHBondContact O-ND2 2.82Å; D186-N191 PolarHBondContact OD2-ND2 2.99Å; K188-N191 VanDerWaalsContact CE-CG 3.44Å; K188-N191 VanDerWaalsContact CE-ND2 3.26Å; K188-N191 WeakPolarHBondContact CE-ND2 3.32Å; K188-N191 WeakPolarHBondContact CE-OD1 3.35Å; K188-N191 HydrophobicContact CG-CB 4.16Å; K188-N191 PolarHBondContact O-N 3.48Å; P189-N191 VanDerWaalsContact C-N 3.33Å; N191-T203 WeakPolarHBondContact O-CG2 3.14Å; N191-T203 PolarHBondContact O-N 2.85Å
192	L	98.3	Very high	97.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	110	178.6	-60.7	-179.9	0	0	0	109.4	M148 I170 L187 K188 P189 E190 L200 I202 L247	M148-L192 HydrophobicContact CB-CB 4Å; M148-L192 WeakPolarHBondContact CB-O 3.27Å; M148-L192 HydrophobicContact CE-CB 4.31Å; M148-L192 HydrophobicContact CE-CD1 3.86Å; M148-L192 PolarHBondContact N-O 2.78Å; M148-L192 HydrophobicContact SD-CD1 3.9Å; I170-L192 HydrophobicContact CD1-CD1 4.13Å; I170-L192 HydrophobicContact CD1-CD2 3.61Å; L187-L192 HydrophobicContact CD1-CD1 4.28Å; L187-L192 HydrophobicContact CD1-CD2 4.02Å; L187-L192 HydrophobicContact CD1-CG 4.45Å; K188-L192 WeakPolarHBondContact O-CG 3.49Å; P189-L192 PolarHBondContact O-N 2.83Å; E190-L192 VanDerWaalsContact C-N 3.29Å; E190-L192 PolarHBondContact O-N 2.91Å; L192-L200 HydrophobicContact CD1-CD1 4.49Å; L192-I202 HydrophobicContact CD2-CB 4.33Å; L192-I202 HydrophobicContact CD2-CD1 4.48Å; L192-I202 HydrophobicContact CD2-CG1 3.7Å; L192-I202 HydrophobicContact CD2-CG2 4.46Å; L192-L247 HydrophobicContact CD1-CD1 4Å; L192-L247 HydrophobicContact CD1-CD2 3.63Å; L192-L247 HydrophobicContact CD1-CG 4.47Å
193	L	97.5	Very high	97.5	Very high	20 Å²	20	17.1 Å²	17.1	11%	0.105	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	150.3	174.3	-56.4	178.9	0	0	0	110.3	I143 G146 E147 L200 K201 T203	I143-L193 HydrophobicContact CB-CB 3.94Å; I143-L193 HydrophobicContact CB-CD1 3.85Å; I143-L193 HydrophobicContact CG1-CB 4.48Å; I143-L193 HydrophobicContact CG1-CD1 4.15Å; I143-L193 HydrophobicContact CG2-CB 3.55Å; I143-L193 HydrophobicContact CG2-CD1 4.42Å; G146-L193 CarbonylContact O-C 3.6Å; G146-L193 WeakPolarHBondContact O-CA 2.97Å; E147-L193 HydrophobicContact CB-CD2 4.4Å; E147-L193 HydrophobicContact CG-CD2 3.73Å; L193-L200 CarbonylContact O-C 3.59Å; L193-L200 VanDerWaalsContact O-CA 3.32Å; L193-L200 WeakPolarHBondContact O-CA 3.46Å; L193-K201 HydrophobicContact CB-CB 4.42Å; L193-K201 PolarHBondContact N-O 2.59Å; L193-K201 PolarHBondContact O-N 3.33Å; L193-T203 HydrophobicContact CD1-CG2 4.13Å; L193-T203 HydrophobicContact CG-CG2 4.02Å
194	I	97.6	Very high	97.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125	173.8	-55.9	-176.6	0	0	0	108.3	I143 G145 G146 Y199 L200 F334 P336	I143-I194 VanDerWaalsContact CG2-O 3.3Å; I143-I194 WeakPolarHBondContact CG2-O 3.4Å; G145-I194 CarbonylContact C-O 3.51Å; G145-I194 WeakPolarHBondContact CA-O 3.47Å; G145-I194 PolarHBondContact N-O 2.83Å; G146-I194 PolarHBondContact O-N 2.81Å; I194-Y199 CarbonylContact C-O 3.47Å; I194-Y199 WeakPolarHBondContact CA-O 3.4Å; I194-L200 HydrophobicContact CG1-CD2 4.06Å; I194-F334 HydrophobicContact CD1-CD1 4.03Å; I194-F334 HydrophobicContact CD1-CE1 4.13Å; I194-P336 HydrophobicContact CG2-CG 4.1Å
195	D	96	Very high	97.2	Very high	15 Å²	15	19.5 Å²	19.5	8%	0.08	11%	0.108	C	C	.	.			trans	-77.9	172.2	175.4	73.9	24.8	0	0	0	112.2	I143 T197 G198 Y199 K328 P336	I143-D195 HydrophobicContact CG2-CB 4.05Å; D195-T197 VanDerWaalsContact CG-OG1 3.32Å; D195-T197 PolarHBondContact O-N 3.22Å; D195-T197 VanDerWaalsContact O-N 3.07Å; D195-T197 VanDerWaalsContact OD1-CA 3.27Å; D195-T197 WeakPolarHBondContact OD1-CA 3.15Å; D195-T197 WeakPolarHBondContact OD1-CB 3.46Å; D195-T197 PolarHBondContact OD1-N 3.43Å; D195-T197 PolarHBondContact OD1-OG1 3.42Å; D195-T197 PolarHBondContact OD2-OG1 2.99Å; D195-G198 PolarHBondContact O-N 3.33Å; D195-G198 PolarHBondContact OD1-N 2.86Å; D195-G198 VanDerWaalsContact OD1-N 3.13Å; D195-Y199 PolarHBondContact N-O 3.2Å; D195-Y199 PolarHBondContact OD1-N 3.29Å; D195-K328 IonicContact OD2-NZ 3.44Å; D195-K328 PolarHBondContact OD2-NZ 3.26Å; D195-P336 VanDerWaalsContact O-CG 3.27Å; D195-P336 WeakPolarHBondContact O-CG 3.32Å
196	S	94.6	Very high	97	Very high	71 Å²	71	19.3 Å²	19.3	50%	0.497	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-13.6	-179.5	57.6	0	0	0	0	114
197	T	95.6	Very high	96.9	Very high	67 Å²	67	21.7 Å²	21.7	41%	0.411	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	1.6	174.7	69.7	0	0	0	0	112.7	D195 Y199 A332 L335	D195-T197 VanDerWaalsContact CG-OG1 3.32Å; D195-T197 PolarHBondContact O-N 3.22Å; D195-T197 VanDerWaalsContact O-N 3.07Å; D195-T197 VanDerWaalsContact OD1-CA 3.27Å; D195-T197 WeakPolarHBondContact OD1-CA 3.15Å; D195-T197 WeakPolarHBondContact OD1-CB 3.46Å; D195-T197 PolarHBondContact OD1-N 3.43Å; D195-T197 PolarHBondContact OD1-OG1 3.42Å; D195-T197 PolarHBondContact OD2-OG1 2.99Å; T197-Y199 VanDerWaalsContact C-N 3.32Å; T197-A332 VanDerWaalsContact O-CB 3.25Å; T197-A332 WeakPolarHBondContact O-CB 3.12Å; T197-L335 VanDerWaalsContact O-CD2 3.3Å; T197-L335 WeakPolarHBondContact O-CD2 3.47Å
198	G	97.3	Very high	96.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	82.4	5.4	-179.9	0	0	0	0	0	114.4	Y166 D195 F334	Y166-G198 WeakPolarHBondContact CE1-O 3.4Å; D195-G198 PolarHBondContact O-N 3.33Å; D195-G198 PolarHBondContact OD1-N 2.86Å; D195-G198 VanDerWaalsContact OD1-N 3.13Å; G198-F334 VanDerWaalsContact CA-O 3.26Å; G198-F334 WeakPolarHBondContact CA-O 3.39Å
199	Y	98.5	Very high	96.8	Very high	5 Å²	5	22.8 Å²	22.8	2%	0.02	13%	0.126	C	C	.	.			trans	-89.3	159	177.9	-83.1	-96.5	0	0	0	111.8	F122 F165 Q169 I194 D195 T197 K328 K329 I330	F122-Y199 HydrophobicContact CD1-CD1 4.35Å; F122-Y199 AromaticContact CE1-CD1 3.67Å; F122-Y199 HydrophobicContact CE1-CD1 3.67Å; F122-Y199 HydrophobicContact CE1-CE1 4.17Å; F122-Y199 HydrophobicContact CZ-CD1 4.49Å; F165-Y199 AromaticContact CE2-CE1 3.85Å; F165-Y199 HydrophobicContact CE2-CE1 3.85Å; F165-Y199 HydrophobicContact CE2-CE2 4.33Å; F165-Y199 AromaticContact CE2-CZ 3.74Å; F165-Y199 AromaticContact CZ-CD1 3.89Å; F165-Y199 HydrophobicContact CZ-CD1 3.89Å; F165-Y199 HydrophobicContact CZ-CD2 4.09Å; F165-Y199 AromaticContact CZ-CE1 3.65Å; F165-Y199 HydrophobicContact CZ-CE1 3.65Å; F165-Y199 AromaticContact CZ-CE2 3.87Å; F165-Y199 HydrophobicContact CZ-CE2 3.87Å; F165-Y199 HydrophobicContact CZ-CG 4.11Å; F165-Y199 AromaticContact CZ-CZ 3.63Å; Q169-Y199 HydrophobicContact CG-CD1 4.31Å; Q169-Y199 VanDerWaalsContact OE1-CD1 3.28Å; I194-Y199 CarbonylContact C-O 3.47Å; I194-Y199 WeakPolarHBondContact CA-O 3.4Å; D195-Y199 PolarHBondContact N-O 3.2Å; D195-Y199 PolarHBondContact OD1-N 3.29Å; T197-Y199 VanDerWaalsContact C-N 3.32Å; Y199-K328 HydrophobicContact CD1-CB 4.46Å; Y199-K328 HydrophobicContact CD1-CD 4.23Å; Y199-K328 HydrophobicContact CD1-CG 3.85Å; Y199-K328 HydrophobicContact CD2-CB 4.28Å; Y199-K328 HydrophobicContact CD2-CD 4.2Å; Y199-K328 HydrophobicContact CD2-CG 4.25Å; Y199-K328 HydrophobicContact CE1-CB 4.11Å; Y199-K328 HydrophobicContact CE1-CG 3.87Å; Y199-K328 HydrophobicContact CE2-CB 3.9Å; Y199-K328 HydrophobicContact CE2-CG 4.27Å; Y199-K328 HydrophobicContact CG-CD 3.97Å; Y199-K328 HydrophobicContact CG-CG 4.04Å; Y199-K328 VanDerWaalsContact CZ-CA 3.44Å; Y199-K328 VanDerWaalsContact OH-C 3.24Å; Y199-K328 VanDerWaalsContact OH-CA 3.26Å; Y199-K328 WeakPolarHBondContact OH-CA 3.4Å; Y199-K329 PolarHBondContact OH-N 2.7Å; Y199-I330 PolarHBondContact OH-N 2.8Å; Y199-I330 PolarHBondContact OH-O 3.39Å
200	L	98.5	Very high	96.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	149.9	-179.3	-61.4	-176.9	0	0	0	113	F122 M148 Y166 Q169 I170 L192 L193 I194	F122-L200 WeakPolarHBondContact CA-O 3.48Å; M148-L200 HydrophobicContact CE-CD1 3.79Å; M148-L200 HydrophobicContact CE-CD2 3.37Å; M148-L200 HydrophobicContact CE-CG 4.21Å; Y166-L200 HydrophobicContact CD1-CD1 3.88Å; Y166-L200 HydrophobicContact CD1-CD2 3.62Å; Y166-L200 HydrophobicContact CD1-CG 3.6Å; Y166-L200 HydrophobicContact CE1-CD2 3.83Å; Y166-L200 HydrophobicContact CE1-CG 4.19Å; Y166-L200 HydrophobicContact CG-CD1 4.15Å; Y166-L200 HydrophobicContact CG-CD2 4.27Å; Y166-L200 HydrophobicContact CG-CG 4.33Å; Q169-L200 HydrophobicContact CB-CD1 4.36Å; I170-L200 HydrophobicContact CD1-CD1 3.78Å; I170-L200 HydrophobicContact CG1-CD1 4.14Å; L192-L200 HydrophobicContact CD1-CD1 4.49Å; L193-L200 CarbonylContact O-C 3.59Å; L193-L200 VanDerWaalsContact O-CA 3.32Å; L193-L200 WeakPolarHBondContact O-CA 3.46Å; I194-L200 HydrophobicContact CG1-CD2 4.06Å
201	K	98.5	Very high	96.7	Very high	11 Å²	11	24.4 Å²	24.4	5%	0.048	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	110.1	164.5	-73.1	-76.3	-171	168	0	108.4	P121 F122 L123 E141 I143 L193 T203	P121-K201 WeakPolarHBondContact O-CE 3.34Å; P121-K201 PolarHBondContact O-NZ 3.25Å; F122-K201 CarbonylContact O-C 3.56Å; F122-K201 WeakPolarHBondContact O-CA 3.42Å; L123-K201 VanDerWaalsContact O-CD 3.25Å; L123-K201 WeakPolarHBondContact O-CD 3.36Å; L123-K201 PolarHBondContact O-NZ 3.12Å; E141-K201 VanDerWaalsContact OE1-CE 3.3Å; E141-K201 WeakPolarHBondContact OE1-CE 3.13Å; E141-K201 IonicContact OE1-NZ 3.92Å; E141-K201 PolarHBondContact OE1-NZ 3.27Å; E141-K201 WeakPolarHBondContact OE2-CE 3.47Å; E141-K201 IonicContact OE2-NZ 2.96Å; E141-K201 PolarHBondContact OE2-NZ 2.87Å; I143-K201 HydrophobicContact CD1-CB 4.17Å; I143-K201 HydrophobicContact CD1-CD 4.22Å; I143-K201 HydrophobicContact CD1-CG 3.65Å; I143-K201 HydrophobicContact CG1-CB 3.89Å; I143-K201 HydrophobicContact CG1-CG 3.95Å; I143-K201 HydrophobicContact CG2-CB 4.29Å; I143-K201 HydrophobicContact CG2-CG 4.36Å; L193-K201 HydrophobicContact CB-CB 4.42Å; L193-K201 PolarHBondContact N-O 2.59Å; L193-K201 PolarHBondContact O-N 3.33Å; K201-T203 PolarHBondContact O-N 3Å
202	I	98.7	Very high	96.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	126.2	171.9	-54.3	-176.2	0	0	0	107.7	F122 L123 V124 I170 A173 Y184 L192 F205	F122-I202 WeakPolarHBondContact O-CG1 3.44Å; F122-I202 PolarHBondContact O-N 2.89Å; L123-I202 HydrophobicContact CD2-CB 3.78Å; L123-I202 HydrophobicContact CD2-CD1 3.76Å; L123-I202 HydrophobicContact CD2-CG1 4.01Å; L123-I202 HydrophobicContact CD2-CG2 4.48Å; V124-I202 WeakPolarHBondContact CB-O 3.48Å; V124-I202 WeakPolarHBondContact CG1-O 3.36Å; V124-I202 PolarHBondContact N-O 3.15Å; I170-I202 HydrophobicContact CD1-CD1 3.76Å; I170-I202 HydrophobicContact CD1-CG1 3.99Å; A173-I202 HydrophobicContact CB-CD1 3.58Å; Y184-I202 HydrophobicContact CD2-CG2 4.39Å; Y184-I202 HydrophobicContact CE1-CG2 3.98Å; Y184-I202 HydrophobicContact CE2-CG2 3.63Å; Y184-I202 VanDerWaalsContact CZ-CG2 3.41Å; Y184-I202 WeakPolarHBondContact OH-CG2 3.29Å; L192-I202 HydrophobicContact CD2-CB 4.33Å; L192-I202 HydrophobicContact CD2-CD1 4.48Å; L192-I202 HydrophobicContact CD2-CG1 3.7Å; L192-I202 HydrophobicContact CD2-CG2 4.46Å; I202-F205 HydrophobicContact CG2-CE2 4.45Å; I202-F205 HydrophobicContact CG2-CZ 4.44Å
203	T	96.8	Very high	96.2	Very high	33 Å²	33	34.5 Å²	34.5	20%	0.202	19%	0.188	C	C	.	.			trans	-116.3	-176	176.3	-169.4	0	0	0	0	110.5	Y184 N191 L193 K201	Y184-T203 PolarHBondContact OH-O 3.42Å; N191-T203 WeakPolarHBondContact O-CG2 3.14Å; N191-T203 PolarHBondContact O-N 2.85Å; L193-T203 HydrophobicContact CD1-CG2 4.13Å; L193-T203 HydrophobicContact CG-CG2 4.02Å; K201-T203 PolarHBondContact O-N 3Å
204	D	94	Very high	96.2	Very high	53 Å²	53	41.4 Å²	41.4	28%	0.283	21%	0.213	S	C	.	.			trans	52	91	177.4	-160.6	-8.4	0	0	0	114.9	K92 Y184 G206	K92-D204 IonicContact NZ-OD1 2.73Å; Y184-D204 VanDerWaalsContact CE2-O 3.29Å; Y184-D204 WeakPolarHBondContact CE2-O 3.31Å; Y184-D204 PolarHBondContact OH-O 3.3Å; D204-G206 PolarHBondContact OD1-N 3.13Å; D204-G206 VanDerWaalsContact OD1-N 3.12Å
205	F	96.8	Very high	96.1	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	22%	0.215	C	C	.	.			trans	-100.3	18.7	177.8	-75.3	-105.2	0	0	0	111.7	E111 I114 L115 I118 L123 V124 L177 Y184 I202 F207 A208	E111-F205 HydrophobicContact CG-CB 4.06Å; E111-F205 PolarHBondContact OE1-N 2.89Å; I114-F205 HydrophobicContact CG2-CD1 3.69Å; I114-F205 HydrophobicContact CG2-CE1 4.27Å; I114-F205 HydrophobicContact CG2-CG 4.35Å; L115-F205 HydrophobicContact CD2-CB 4.45Å; L115-F205 HydrophobicContact CD2-CD2 3.56Å; L115-F205 HydrophobicContact CD2-CE2 4Å; L115-F205 HydrophobicContact CD2-CG 4.14Å; L115-F205 HydrophobicContact CG-CB 4.29Å; L115-F205 HydrophobicContact CG-CD2 4.3Å; L115-F205 HydrophobicContact CG-CG 4.46Å; I118-F205 HydrophobicContact CD1-CD1 4.23Å; I118-F205 HydrophobicContact CD1-CE1 3.62Å; I118-F205 HydrophobicContact CD1-CE2 4Å; I118-F205 HydrophobicContact CD1-CZ 3.46Å; I118-F205 VanDerWaalsContact CD1-CZ 3.46Å; L123-F205 HydrophobicContact CB-CZ 4.41Å; L123-F205 HydrophobicContact CD1-CZ 4.34Å; L123-F205 HydrophobicContact CD2-CZ 4.05Å; L123-F205 HydrophobicContact CG-CZ 4.48Å; V124-F205 HydrophobicContact CG1-CE2 4.38Å; L177-F205 HydrophobicContact CD1-CE1 4.2Å; L177-F205 HydrophobicContact CD2-CE1 4.11Å; Y184-F205 HydrophobicContact CD2-CD1 4.06Å; Y184-F205 HydrophobicContact CD2-CE1 4.01Å; Y184-F205 HydrophobicContact CD2-CZ 4.49Å; Y184-F205 HydrophobicContact CE2-CD1 4.18Å; Y184-F205 HydrophobicContact CE2-CD2 4.38Å; Y184-F205 HydrophobicContact CE2-CE1 4.2Å; Y184-F205 HydrophobicContact CE2-CE2 4.41Å; Y184-F205 HydrophobicContact CE2-CG 4.28Å; Y184-F205 HydrophobicContact CE2-CZ 4.33Å; I202-F205 HydrophobicContact CG2-CE2 4.45Å; I202-F205 HydrophobicContact CG2-CZ 4.44Å; F205-F207 PolarHBondContact O-N 3.49Å; F205-A208 HydrophobicContact CB-CB 3.94Å; F205-A208 HydrophobicContact CD1-CB 3.63Å; F205-A208 HydrophobicContact CG-CB 4.24Å; F205-A208 WeakPolarHBondContact O-CB 3.28Å; F205-A208 PolarHBondContact O-N 3.17Å
206	G	94.3	Very high	96.1	Very high	12 Å²	12	49.1 Å²	49.1	12%	0.124	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-33.5	-179	0	0	0	0	0	114	D204	D204-G206 PolarHBondContact OD1-N 3.13Å; D204-G206 VanDerWaalsContact OD1-N 3.12Å
207	F	95.5	Very high	96.1	Very high	58 Å²	58	48.2 Å²	48.2	25%	0.254	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-0.3	174.4	-60.6	-31	0	0	0	113.9	Y184 R185 D186 F205 C219	Y184-F207 CarbonylContact O-C 3.52Å; R185-F207 HydrophobicContact CB-CB 4.26Å; R185-F207 PolarHBondContact NE-O 3.22Å; R185-F207 PolarHBondContact NH2-O 3.22Å; D186-F207 HydrophobicContact CB-CB 4.45Å; D186-F207 HydrophobicContact CB-CD2 3.81Å; F205-F207 PolarHBondContact O-N 3.49Å; F207-C219 HydrophobicContact CD1-CB 4.04Å; F207-C219 HydrophobicContact CD2-CB 4.17Å; F207-C219 HydrophobicContact CE1-CB 4.23Å; F207-C219 HydrophobicContact CE2-CB 4.38Å; F207-C219 HydrophobicContact CG-CB 4.04Å; F207-C219 HydrophobicContact CZ-CB 4.41Å
208	A	97.5	Very high	96	Very high	2 Å²	2	50.3 Å²	50.3	2%	0.017	24%	0.241	C	C	.	.			trans	-63.7	147.4	176.7	0	0	0	0	0	110.2	N110 I114 I183 Y184 F205	N110-A208 PolarHBondContact ND2-O 2.98Å; I114-A208 HydrophobicContact CD1-CB 3.56Å; I183-A208 CarbonylContact O-C 3.48Å; I183-A208 WeakPolarHBondContact O-CA 3.23Å; Y184-A208 HydrophobicContact CD2-CB 4.48Å; Y184-A208 PolarHBondContact O-N 2.73Å; F205-A208 HydrophobicContact CB-CB 3.94Å; F205-A208 HydrophobicContact CD1-CB 3.63Å; F205-A208 HydrophobicContact CG-CB 4.24Å; F205-A208 WeakPolarHBondContact O-CB 3.28Å; F205-A208 PolarHBondContact O-N 3.17Å
209	K	96.4	Very high	95.9	Very high	53 Å²	53	50.9 Å²	50.9	23%	0.23	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	137.3	179.4	-166.7	176.1	178.3	152.6	0	111.8	L182 I183 V211	L182-K209 WeakPolarHBondContact CA-O 3.37Å; I183-K209 PolarHBondContact N-O 3.25Å; I183-K209 PolarHBondContact O-N 3.37Å; K209-V211 HydrophobicContact CB-CG2 4.1Å; K209-V211 HydrophobicContact CD-CG2 3.69Å; K209-V211 HydrophobicContact CG-CG2 3.58Å; K209-V211 PolarHBondContact O-N 3.23Å
210	R	96.7	Very high	95.7	Very high	75 Å²	75	51.7 Å²	51.7	28%	0.283	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	110.9	172.1	-162.5	176.5	179.4	-167.6	-2.3	110.7	W50 D181 L182	W50-R210 HydrophobicContact CH2-CB 4.36Å; W50-R210 HydrophobicContact CZ2-CB 4.35Å; D181-R210 HydrophobicContact CB-CG 4.15Å; D181-R210 CarbonylContact O-C 3.58Å; D181-R210 VanDerWaalsContact O-CA 3.26Å; D181-R210 WeakPolarHBondContact O-CA 3.46Å; L182-R210 HydrophobicContact CD2-CB 3.75Å; L182-R210 HydrophobicContact CD2-CG 4.17Å
211	V	94.9	Very high	95.6	Very high	25 Å²	25	53 Å²	53	15%	0.152	26%	0.263	C	S	.	.			trans	-146	119.6	-176.2	-174.8	0	0	0	0	110.4	D181 I183 K209	D181-V211 PolarHBondContact O-N 3.46Å; I183-V211 HydrophobicContact CD1-CB 4.14Å; K209-V211 HydrophobicContact CB-CG2 4.1Å; K209-V211 HydrophobicContact CD-CG2 3.69Å; K209-V211 HydrophobicContact CG-CG2 3.58Å; K209-V211 PolarHBondContact O-N 3.23Å
212	K	91.2	Very high	95.5	Very high	179 Å²	179	54 Å²	54	78%	0.778	27%	0.271	S	S	*	.	S	Bend	trans	-76	-29.4	173.5	-71.8	-176.5	176.1	-176.1	0	113.8	D181	D181-K212 HydrophobicContact CB-CG 4.19Å; D181-K212 WeakPolarHBondContact OD2-CE 3.18Å; D181-K212 WeakPolarHBondContact OD2-CG 3.27Å
213	G	94	Very high	95.5	Very high	44 Å²	44	56.7 Å²	56.7	45%	0.454	28%	0.283	S	S	.	.	S	Bend	trans	-113.4	-117.6	-174	0	0	0	0	0	112.7
214	R	95.8	Very high	95.5	Very high	166 Å²	166	55.9 Å²	55.9	63%	0.626	28%	0.276	S	S	*	.			trans	-112.6	155.5	179.8	-68.2	179.4	178	-176.8	1.5	111.8	W216 G234 Y235	R214-W216 HydrophobicContact CB-CH2 3.83Å; R214-W216 HydrophobicContact CB-CZ2 4.26Å; R214-W216 HydrophobicContact CB-CZ3 4.12Å; R214-W216 VanDerWaalsContact O-CZ3 3.31Å; R214-W216 WeakPolarHBondContact O-CZ3 3.4Å; R214-G234 WeakPolarHBondContact CD-O 3.3Å; R214-Y235 CarbonylContact C-O 3.58Å; R214-Y235 WeakPolarHBondContact CA-O 3.44Å
215	T	96.3	Very high	95.7	Very high	9 Å²	9	53.6 Å²	53.6	6%	0.055	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-133.1	168.4	167.2	-160.7	0	0	0	0	110.2	G234 Y235	T215-G234 WeakPolarHBondContact O-CA 3.18Å; T215-Y235 HydrophobicContact CG2-CD2 3.93Å; T215-Y235 HydrophobicContact CG2-CE1 4.02Å; T215-Y235 HydrophobicContact CG2-CE2 3.3Å; T215-Y235 PolarHBondContact N-O 3.12Å; T215-Y235 VanDerWaalsContact O-CD1 3.26Å; T215-Y235 WeakPolarHBondContact O-CD1 3.34Å; T215-Y235 PolarHBondContact O-N 2.99Å
216	W	96.9	Very high	95.8	Very high	168 Å²	168	53.6 Å²	53.6	64%	0.636	27%	0.265	S	S	*	.			trans	-131.2	-6.3	-170	-72.4	-99.9	0	0	0	114.1	R214 L218	R214-W216 HydrophobicContact CB-CH2 3.83Å; R214-W216 HydrophobicContact CB-CZ2 4.26Å; R214-W216 HydrophobicContact CB-CZ3 4.12Å; R214-W216 VanDerWaalsContact O-CZ3 3.31Å; R214-W216 WeakPolarHBondContact O-CZ3 3.4Å; W216-L218 PolarHBondContact O-N 3.12Å
217	T	93.8	Very high	96	Very high	51 Å²	51	53.1 Å²	53.1	31%	0.313	26%	0.259	S	S	.	.			trans	-61.8	124	-176.9	-49.5	0	0	0	0	110.3	C219 Y235	T217-C219 HydrophobicContact CG2-CB 4.31Å; T217-C219 PolarHBondContact O-N 3.24Å; T217-Y235 WeakPolarHBondContact O-CE1 3.38Å; T217-Y235 PolarHBondContact O-OH 3.17Å
218	L	94.6	Very high	96.1	Very high	112 Å²	112	50.7 Å²	50.7	59%	0.586	25%	0.248	S	C	*	.			trans	-74.9	104.9	168.7	177.9	63.7	0	0	0	108.5	W216 L225 I229	W216-L218 PolarHBondContact O-N 3.12Å; L218-L225 HydrophobicContact CD1-CD1 4.25Å; L218-I229 HydrophobicContact CD1-CG2 3.6Å
219	C	94.3	Very high	96.1	Very high	12 Å²	12	51 Å²	51	8%	0.081	25%	0.25	C	C	.	.			trans	-151.6	160.7	178.4	61	0	0	0	0	110.3	R185 F207 T217 L225	R185-C219 VanDerWaalsContact CZ-SG 3.58Å; R185-C219 PolarHBondContact NH1-SG 3.34Å; F207-C219 HydrophobicContact CD1-CB 4.04Å; F207-C219 HydrophobicContact CD2-CB 4.17Å; F207-C219 HydrophobicContact CE1-CB 4.23Å; F207-C219 HydrophobicContact CE2-CB 4.38Å; F207-C219 HydrophobicContact CG-CB 4.04Å; F207-C219 HydrophobicContact CZ-CB 4.41Å; T217-C219 HydrophobicContact CG2-CB 4.31Å; T217-C219 PolarHBondContact O-N 3.24Å; C219-L225 WeakPolarHBondContact O-CD2 3.47Å
220	G	94.4	Very high	96.2	Very high	22 Å²	22	50 Å²	50	23%	0.227	25%	0.246	C	C	.	.	S	Bend	trans	114	-175.9	-176.1	0	0	0	0	0	112.1	D186	D186-G220 WeakPolarHBondContact OD1-CA 3.26Å
221	T	95.4	Very high	96.2	Very high	26 Å²	26	50.1 Å²	50.1	16%	0.16	25%	0.252	C	S	.	.			trans	-99.7	134.5	-176.2	-56.8	0	0	0	0	110.5	D186 K188 E223 Y224 L225	D186-T221 PolarHBondContact OD1-N 2.72Å; D186-T221 PolarHBondContact OD1-OG1 3.38Å; K188-T221 HydrophobicContact CD-CG2 4.2Å; K188-T221 WeakPolarHBondContact CD-OG1 3.31Å; K188-T221 PolarHBondContact NZ-OG1 2.81Å; T221-E223 VanDerWaalsContact C-N 3.34Å; T221-E223 PolarHBondContact O-N 3.24Å; T221-E223 VanDerWaalsContact O-N 3.13Å; T221-Y224 PolarHBondContact O-N 2.73Å; T221-L225 PolarHBondContact O-N 3.45Å
222	P	97.3	Very high	96.1	Very high	33 Å²	33	53.4 Å²	53.4	21%	0.214	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-48.9	-44.9	-166.5	-32.3	37.3	0	0	0	116.1	Y224 L225 P263 I266 Y267 I270	P222-Y224 PolarHBondContact O-N 3.4Å; P222-L225 PolarHBondContact O-N 3.12Å; P222-P263 HydrophobicContact CB-CB 4.44Å; P222-P263 HydrophobicContact CG-CB 4.42Å; P222-I266 HydrophobicContact CB-CD1 4.26Å; P222-Y267 HydrophobicContact CB-CE1 3.87Å; P222-I270 WeakPolarHBondContact O-CD1 3.31Å
223	E	97.8	Very high	96.3	Very high	56 Å²	56	50.7 Å²	50.7	26%	0.262	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-66.6	-24.1	-178.1	-65.5	83	172.1	0	0	113.1	T221 V246 P256 I266	T221-E223 VanDerWaalsContact C-N 3.34Å; T221-E223 PolarHBondContact O-N 3.24Å; T221-E223 VanDerWaalsContact O-N 3.13Å; E223-V246 WeakPolarHBondContact O-CG1 3.32Å; E223-P256 HydrophobicContact CB-CB 4.3Å; E223-P256 HydrophobicContact CG-CB 4.46Å; E223-P256 HydrophobicContact CG-CG 4.13Å; E223-I266 HydrophobicContact CG-CD1 4.22Å
224	Y	98.5	Very high	96.4	Very high	16 Å²	16	49.1 Å²	49.1	6%	0.063	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-102.8	-8.5	-174.4	-77.3	-94.5	0	0	0	113.5	L187 K188 P189 T221 P222 A226 A243 V246 L247 E250	L187-Y224 WeakPolarHBondContact O-CD1 3.43Å; L187-Y224 WeakPolarHBondContact O-CE1 3.32Å; K188-Y224 HydrophobicContact CB-CD2 4.07Å; K188-Y224 HydrophobicContact CB-CE2 3.96Å; K188-Y224 HydrophobicContact CB-CG 4.48Å; P189-Y224 VanDerWaalsContact CD-OH 3.27Å; P189-Y224 WeakPolarHBondContact CD-OH 3.46Å; T221-Y224 PolarHBondContact O-N 2.73Å; P222-Y224 PolarHBondContact O-N 3.4Å; Y224-A226 PolarHBondContact O-N 3.18Å; Y224-A243 HydrophobicContact CD1-CB 4.2Å; Y224-V246 HydrophobicContact CD1-CB 3.68Å; Y224-V246 HydrophobicContact CD1-CG1 3.56Å; Y224-V246 HydrophobicContact CD2-CG1 4.1Å; Y224-V246 HydrophobicContact CE1-CB 3.73Å; Y224-V246 HydrophobicContact CE1-CG1 3.47Å; Y224-V246 VanDerWaalsContact CE1-CG1 3.47Å; Y224-V246 HydrophobicContact CE2-CG1 3.97Å; Y224-V246 HydrophobicContact CG-CB 4.37Å; Y224-V246 HydrophobicContact CG-CG1 3.88Å; Y224-L247 HydrophobicContact CE1-CB 4.01Å; Y224-E250 PolarHBondContact OH-OE2 3.44Å
225	L	98.3	Very high	96.5	Very high	6 Å²	6	41.3 Å²	41.3	3%	0.031	22%	0.219	C	C	.	.			trans	-62.5	133.7	179.6	-67.6	-175.4	0	0	0	111.4	L218 C219 T221 P222 I229 I230 W242 Y267	L218-L225 HydrophobicContact CD1-CD1 4.25Å; C219-L225 WeakPolarHBondContact O-CD2 3.47Å; T221-L225 PolarHBondContact O-N 3.45Å; P222-L225 PolarHBondContact O-N 3.12Å; L225-I229 HydrophobicContact CD2-CD1 4.28Å; L225-I229 HydrophobicContact CD2-CG2 4.21Å; L225-I230 HydrophobicContact CB-CD1 4.02Å; L225-I230 HydrophobicContact CB-CG1 3.98Å; L225-I230 HydrophobicContact CD1-CG1 4.2Å; L225-W242 PolarHBondContact O-NE1 2.85Å; L225-W242 VanDerWaalsContact O-NE1 3.13Å; L225-Y267 HydrophobicContact CD1-CE1 3.79Å
226	A	98.3	Very high	96.5	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.008	23%	0.227	C	C	.	.			trans	-75.6	150.6	172.3	0	0	0	0	0	111	Y224 E228 I229 I230 V239 W242	Y224-A226 PolarHBondContact O-N 3.18Å; A226-E228 HydrophobicContact CB-CG 4.37Å; A226-E228 WeakPolarHBondContact CB-OE1 3.29Å; A226-E228 PolarHBondContact O-N 2.96Å; A226-E228 VanDerWaalsContact O-N 3.15Å; A226-I229 HydrophobicContact CB-CD1 4.45Å; A226-I229 HydrophobicContact CB-CG1 4.43Å; A226-I229 WeakPolarHBondContact O-CB 3.35Å; A226-I229 PolarHBondContact O-N 2.7Å; A226-I230 PolarHBondContact O-N 2.7Å; A226-V239 HydrophobicContact CB-CB 4Å; A226-V239 HydrophobicContact CB-CG1 3.87Å; A226-W242 HydrophobicContact CB-CB 3.96Å; A226-W242 HydrophobicContact CB-CD2 4.38Å; A226-W242 HydrophobicContact CB-CG 3.82Å
227	P	98.3	Very high	96.5	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-54.2	-38.2	-178.3	-25.4	31.8	0	0	0	113.7	I229 I230 L231 W242 I270 V295	P227-I229 VanDerWaalsContact C-N 3.31Å; P227-I229 PolarHBondContact O-N 3.25Å; P227-I230 PolarHBondContact O-N 3.37Å; P227-L231 WeakPolarHBondContact O-CB 3.25Å; P227-L231 VanDerWaalsContact O-CG 3.22Å; P227-L231 WeakPolarHBondContact O-CG 3.38Å; P227-L231 PolarHBondContact O-N 3.36Å; P227-W242 HydrophobicContact CG-CE3 4.17Å; P227-W242 HydrophobicContact CG-CH2 3.58Å; P227-W242 HydrophobicContact CG-CZ2 4Å; P227-W242 HydrophobicContact CG-CZ3 3.66Å; P227-I270 HydrophobicContact CB-CG2 4.27Å; P227-I270 HydrophobicContact CG-CG2 3.74Å; P227-V295 HydrophobicContact CB-CG1 4.04Å; P227-V295 HydrophobicContact CG-CB 4.38Å; P227-V295 HydrophobicContact CG-CG1 4.16Å; P227-V295 HydrophobicContact CG-CG2 4.05Å
228	E	97.9	Very high	96.7	Very high	7 Å²	7	36.9 Å²	36.9	3%	0.033	20%	0.201	C	C	.	.	H	α-helix	trans	-66.7	-28.3	179.4	61.3	-86.7	-160.1	0	0	113.9	A226 K233 V239 L297 R300	A226-E228 HydrophobicContact CB-CG 4.37Å; A226-E228 WeakPolarHBondContact CB-OE1 3.29Å; A226-E228 PolarHBondContact O-N 2.96Å; A226-E228 VanDerWaalsContact O-N 3.15Å; E228-K233 HydrophobicContact CB-CB 4.3Å; E228-K233 WeakPolarHBondContact O-CB 3.3Å; E228-K233 PolarHBondContact O-N 2.89Å; E228-V239 HydrophobicContact CG-CG1 4.11Å; E228-V239 WeakPolarHBondContact OE1-CG1 3.35Å; E228-L297 HydrophobicContact CB-CD1 4.29Å; E228-L297 HydrophobicContact CG-CD1 4.22Å; E228-L297 WeakPolarHBondContact OE1-CD2 3.35Å; E228-R300 IonicContact OE1-CZ 2.81Å; E228-R300 IonicContact OE1-NH1 2.87Å; E228-R300 PolarHBondContact OE1-NH1 2.91Å; E228-R300 IonicContact OE1-NH2 3.64Å; E228-R300 IonicContact OE2-CZ 3.74Å; E228-R300 IonicContact OE2-NH1 2.68Å; E228-R300 PolarHBondContact OE2-NH1 2.92Å; E228-R300 IonicContact OE2-NH2 2.8Å; E228-R300 PolarHBondContact OE2-NH2 2.83Å
229	I	97.8	Very high	96.9	Very high	8 Å²	8	31.8 Å²	31.8	4%	0.041	18%	0.175	C	C	.	.	H	α-helix	trans	-70.7	-48.3	173.6	-59.2	178.7	0	0	0	109.2	L218 L225 A226 P227 L231 S232 Y235 V239	L218-I229 HydrophobicContact CD1-CG2 3.6Å; L225-I229 HydrophobicContact CD2-CD1 4.28Å; L225-I229 HydrophobicContact CD2-CG2 4.21Å; A226-I229 HydrophobicContact CB-CD1 4.45Å; A226-I229 HydrophobicContact CB-CG1 4.43Å; A226-I229 WeakPolarHBondContact O-CB 3.35Å; A226-I229 PolarHBondContact O-N 2.7Å; P227-I229 VanDerWaalsContact C-N 3.31Å; P227-I229 PolarHBondContact O-N 3.25Å; I229-L231 VanDerWaalsContact C-N 3.3Å; I229-L231 PolarHBondContact O-N 2.93Å; I229-S232 PolarHBondContact O-N 3.24Å; I229-Y235 HydrophobicContact CD1-CE2 4.37Å; I229-Y235 HydrophobicContact CG1-CD1 3.77Å; I229-Y235 HydrophobicContact CG1-CD2 4.24Å; I229-Y235 HydrophobicContact CG1-CE1 3.94Å; I229-Y235 HydrophobicContact CG1-CE2 4.4Å; I229-Y235 HydrophobicContact CG1-CG 3.91Å; I229-Y235 HydrophobicContact CG2-CE1 4.4Å; I229-V239 HydrophobicContact CD1-CB 3.99Å; I229-V239 HydrophobicContact CD1-CG1 3.78Å; I229-V239 HydrophobicContact CD1-CG2 4.43Å; I229-V239 HydrophobicContact CG1-CG1 3.82Å
230	I	97.3	Very high	97.1	Very high	32 Å²	32	31.3 Å²	31.3	16%	0.164	17%	0.171	C	C	.	.	H	α-helix	trans	-60	-42	179.7	-66.5	162.1	0	0	0	110.8	L225 A226 P227 S232 Y267 I270 V271	L225-I230 HydrophobicContact CB-CD1 4.02Å; L225-I230 HydrophobicContact CB-CG1 3.98Å; L225-I230 HydrophobicContact CD1-CG1 4.2Å; A226-I230 PolarHBondContact O-N 2.7Å; P227-I230 PolarHBondContact O-N 3.37Å; I230-S232 PolarHBondContact O-N 3.21Å; I230-S232 VanDerWaalsContact O-N 3.13Å; I230-Y267 HydrophobicContact CD1-CD1 3.84Å; I230-Y267 HydrophobicContact CD1-CG 4.26Å; I230-Y267 HydrophobicContact CG1-CD1 4Å; I230-Y267 HydrophobicContact CG1-CG 4.25Å; I230-Y267 HydrophobicContact CG2-CG 4.11Å; I230-I270 HydrophobicContact CD1-CB 3.8Å; I230-I270 HydrophobicContact CD1-CD1 3.8Å; I230-I270 HydrophobicContact CD1-CG1 4.41Å; I230-I270 HydrophobicContact CD1-CG2 3.48Å; I230-I270 VanDerWaalsContact CD1-CG2 3.48Å; I230-V271 HydrophobicContact CB-CG2 4.28Å; I230-V271 HydrophobicContact CG2-CG2 3.79Å
231	L	96.4	Very high	97.3	Very high	78 Å²	78	30.4 Å²	30.4	41%	0.408	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	9.6	178.2	-65.9	173.1	0	0	0	113.6	P227 I229 K233 V271	P227-L231 WeakPolarHBondContact O-CB 3.25Å; P227-L231 VanDerWaalsContact O-CG 3.22Å; P227-L231 WeakPolarHBondContact O-CG 3.38Å; P227-L231 PolarHBondContact O-N 3.36Å; I229-L231 VanDerWaalsContact C-N 3.3Å; I229-L231 PolarHBondContact O-N 2.93Å; L231-K233 HydrophobicContact CB-CD 4.29Å; L231-K233 HydrophobicContact CB-CG 4.12Å; L231-K233 PolarHBondContact O-N 3.24Å; L231-K233 VanDerWaalsContact O-N 3.12Å; L231-V271 HydrophobicContact CD1-CG1 4.34Å; L231-V271 HydrophobicContact CD2-CG1 4.08Å; L231-V271 HydrophobicContact CD2-CG2 4.14Å; L231-V271 HydrophobicContact CG-CG1 4.46Å; L231-V271 HydrophobicContact CG-CG2 4.11Å
232	S	94.6	Very high	97.5	Very high	94 Å²	94	29.2 Å²	29.2	66%	0.657	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	31.9	-179.6	-56.7	0	0	0	0	113.6	I229 I230	I229-S232 PolarHBondContact O-N 3.24Å; I230-S232 PolarHBondContact O-N 3.21Å; I230-S232 VanDerWaalsContact O-N 3.13Å
233	K	95.2	Very high	97.6	Very high	123 Å²	123	28 Å²	28	54%	0.535	15%	0.146	S	C	.	.			trans	-87.9	149	176.1	-63.7	-179.9	-178.4	176.2	0	109.3	E228 L231 Y235	E228-K233 HydrophobicContact CB-CB 4.3Å; E228-K233 WeakPolarHBondContact O-CB 3.3Å; E228-K233 PolarHBondContact O-N 2.89Å; L231-K233 HydrophobicContact CB-CD 4.29Å; L231-K233 HydrophobicContact CB-CG 4.12Å; L231-K233 PolarHBondContact O-N 3.24Å; L231-K233 VanDerWaalsContact O-N 3.12Å; K233-Y235 PolarHBondContact O-N 3.33Å
234	G	94.9	Very high	97.6	Very high	10 Å²	10	25.3 Å²	25.3	10%	0.103	13%	0.133	C	C	.	.			trans	-60.9	122.6	169.7	0	0	0	0	0	110.1	R214 T215	R214-G234 WeakPolarHBondContact CD-O 3.3Å; T215-G234 WeakPolarHBondContact O-CA 3.18Å
235	Y	97.4	Very high	97.6	Very high	3 Å²	3	24.5 Å²	24.5	1%	0.012	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-119.6	162.6	-173	65.3	-96.1	0	0	0	112	R185 R214 T215 T217 I229 K233 V239	R185-Y235 WeakPolarHBondContact CD-OH 3.49Å; R185-Y235 HydrophobicContact CG-CE2 4.48Å; R185-Y235 PolarHBondContact NH1-OH 2.9Å; R214-Y235 CarbonylContact C-O 3.58Å; R214-Y235 WeakPolarHBondContact CA-O 3.44Å; T215-Y235 HydrophobicContact CG2-CD2 3.93Å; T215-Y235 HydrophobicContact CG2-CE1 4.02Å; T215-Y235 HydrophobicContact CG2-CE2 3.3Å; T215-Y235 PolarHBondContact N-O 3.12Å; T215-Y235 VanDerWaalsContact O-CD1 3.26Å; T215-Y235 WeakPolarHBondContact O-CD1 3.34Å; T215-Y235 PolarHBondContact O-N 2.99Å; T217-Y235 WeakPolarHBondContact O-CE1 3.38Å; T217-Y235 PolarHBondContact O-OH 3.17Å; I229-Y235 HydrophobicContact CD1-CE2 4.37Å; I229-Y235 HydrophobicContact CG1-CD1 3.77Å; I229-Y235 HydrophobicContact CG1-CD2 4.24Å; I229-Y235 HydrophobicContact CG1-CE1 3.94Å; I229-Y235 HydrophobicContact CG1-CE2 4.4Å; I229-Y235 HydrophobicContact CG1-CG 3.91Å; I229-Y235 HydrophobicContact CG2-CE1 4.4Å; K233-Y235 PolarHBondContact O-N 3.33Å; Y235-V239 HydrophobicContact CD2-CB 4.49Å; Y235-V239 HydrophobicContact CD2-CG1 3.57Å; Y235-V239 HydrophobicContact CD2-CG2 4.11Å; Y235-V239 HydrophobicContact CE2-CG1 4.4Å; Y235-V239 HydrophobicContact CE2-CG2 4.33Å; Y235-V239 HydrophobicContact CG-CG1 3.93Å
236	N	96.6	Very high	97.7	Very high	42 Å²	42	24.2 Å²	24.2	23%	0.225	13%	0.129	C	C	.	.			trans	-130.2	-164.4	-177.9	70.5	1.9	0	0	0	110.5	A238 V239 N303	N236-A238 PolarHBondContact O-N 3.4Å; N236-A238 WeakPolarHBondContact OD1-CB 3.41Å; N236-A238 PolarHBondContact OD1-N 2.89Å; N236-V239 WeakPolarHBondContact O-CG2 3.47Å; N236-V239 PolarHBondContact O-N 3.32Å; N236-N303 PolarHBondContact ND2-OD1 2.93Å
237	K	97.8	Very high	97.7	Very high	92 Å²	92	24.2 Å²	24.2	40%	0.4	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-14.6	177.5	64.8	-179.6	170.3	-173.7	0	116.5	H178 I183 V239 D240	H178-K237 HydrophobicContact CB-CD 3.93Å; H178-K237 PolarHBondContact CE1-O 2.8Å; I183-K237 HydrophobicContact CG1-CB 4.27Å; K237-V239 PolarHBondContact O-N 3.48Å; K237-D240 PolarHBondContact O-N 2.76Å
238	A	98.2	Very high	97.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.5	-16.7	178.2	0	0	0	0	0	114.3	N236 D240 W241 W242 L297 R300 N303	N236-A238 PolarHBondContact O-N 3.4Å; N236-A238 WeakPolarHBondContact OD1-CB 3.41Å; N236-A238 PolarHBondContact OD1-N 2.89Å; A238-D240 VanDerWaalsContact C-N 3.31Å; A238-W241 PolarHBondContact O-N 2.85Å; A238-W242 PolarHBondContact O-N 3.25Å; A238-L297 HydrophobicContact CB-CD2 3.6Å; A238-R300 PolarHBondContact O-NH1 2.73Å; A238-N303 HydrophobicContact CB-CB 3.81Å
239	V	98.5	Very high	97.8	Very high	6 Å²	6	24.1 Å²	24.1	4%	0.036	13%	0.128	C	C	.	.	H	α-helix	trans	-66.5	-34.8	174.3	-57.4	0	0	0	0	111.6	I183 R185 A226 E228 I229 Y235 N236 K237 W241 W242 A243	I183-V239 HydrophobicContact CG2-CG2 3.79Å; R185-V239 HydrophobicContact CG-CG2 4.39Å; A226-V239 HydrophobicContact CB-CB 4Å; A226-V239 HydrophobicContact CB-CG1 3.87Å; E228-V239 HydrophobicContact CG-CG1 4.11Å; E228-V239 WeakPolarHBondContact OE1-CG1 3.35Å; I229-V239 HydrophobicContact CD1-CB 3.99Å; I229-V239 HydrophobicContact CD1-CG1 3.78Å; I229-V239 HydrophobicContact CD1-CG2 4.43Å; I229-V239 HydrophobicContact CG1-CG1 3.82Å; Y235-V239 HydrophobicContact CD2-CB 4.49Å; Y235-V239 HydrophobicContact CD2-CG1 3.57Å; Y235-V239 HydrophobicContact CD2-CG2 4.11Å; Y235-V239 HydrophobicContact CE2-CG1 4.4Å; Y235-V239 HydrophobicContact CE2-CG2 4.33Å; Y235-V239 HydrophobicContact CG-CG1 3.93Å; N236-V239 WeakPolarHBondContact O-CG2 3.47Å; N236-V239 PolarHBondContact O-N 3.32Å; K237-V239 PolarHBondContact O-N 3.48Å; V239-W241 VanDerWaalsContact C-N 3.34Å; V239-W241 PolarHBondContact O-N 3.45Å; V239-W242 WeakPolarHBondContact O-CB 3.4Å; V239-W242 PolarHBondContact O-N 3.27Å; V239-A243 PolarHBondContact O-N 2.82Å
240	D	98.8	Very high	97.8	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-67.5	-37.3	177.4	-70.1	-20.7	0	0	0	110.6	F174 H178 I183 Y184 R185 K237 A238 A243 L244	F174-D240 HydrophobicContact CD2-CB 3.91Å; F174-D240 HydrophobicContact CE1-CB 4.29Å; F174-D240 HydrophobicContact CE2-CB 3.65Å; F174-D240 VanDerWaalsContact CE2-O 3.25Å; F174-D240 WeakPolarHBondContact CE2-O 3.48Å; F174-D240 HydrophobicContact CG-CB 4.35Å; F174-D240 HydrophobicContact CZ-CB 3.83Å; H178-D240 IonicContact CD2-OD2 3.68Å; H178-D240 IonicContact CE1-OD2 3.59Å; H178-D240 IonicContact NE2-OD2 3.31Å; H178-D240 PolarHBondContact NE2-OD2 2.8Å; I183-D240 WeakPolarHBondContact CG2-OD2 3.46Å; Y184-D240 PolarHBondContact N-OD1 2.89Å; Y184-D240 PolarHBondContact N-OD2 3.25Å; R185-D240 PolarHBondContact N-OD1 3.46Å; K237-D240 PolarHBondContact O-N 2.76Å; A238-D240 VanDerWaalsContact C-N 3.31Å; D240-A243 PolarHBondContact O-N 2.83Å; D240-L244 PolarHBondContact O-N 2.68Å
241	W	98.9	Very high	97.9	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.015	12%	0.12	C	C	.	.	H	α-helix	trans	-69	-33	175.6	-61.2	126.3	0	0	0	113.1	V171 F174 H178 A238 V239 L244 G245 L292 G302 V308 I311	V171-W241 HydrophobicContact CG2-CZ3 4.29Å; F174-W241 HydrophobicContact CB-CH2 3.53Å; F174-W241 HydrophobicContact CB-CZ2 4.05Å; F174-W241 HydrophobicContact CB-CZ3 3.86Å; F174-W241 HydrophobicContact CD2-CE3 4.02Å; F174-W241 HydrophobicContact CD2-CH2 4.39Å; F174-W241 AromaticContact CD2-CZ3 3.88Å; F174-W241 HydrophobicContact CD2-CZ3 3.88Å; F174-W241 HydrophobicContact CG-CZ3 4.41Å; H178-W241 AromaticContact CE1-CE2 3.68Å; H178-W241 AromaticContact CE1-CZ2 3.89Å; H178-W241 AromaticContact CE1-NE1 3.56Å; H178-W241 AromaticContact ND1-CE2 3.7Å; H178-W241 AromaticContact ND1-CZ2 3.65Å; H178-W241 AromaticContact ND1-NE1 3.51Å; A238-W241 PolarHBondContact O-N 2.85Å; V239-W241 VanDerWaalsContact C-N 3.34Å; V239-W241 PolarHBondContact O-N 3.45Å; W241-L244 HydrophobicContact CE3-CD2 3.74Å; W241-L244 HydrophobicContact CZ3-CD2 3.88Å; W241-G245 PolarHBondContact O-N 2.98Å; W241-L292 HydrophobicContact CB-CD2 4.38Å; W241-G302 PolarHBondContact NE1-O 2.92Å; W241-V308 HydrophobicContact CH2-CB 4.22Å; W241-V308 HydrophobicContact CH2-CG2 3.54Å; W241-V308 HydrophobicContact CZ2-CB 4.09Å; W241-V308 HydrophobicContact CZ2-CG2 3.92Å; W241-V308 HydrophobicContact CZ3-CG2 4.37Å; W241-I311 HydrophobicContact CD2-CD1 3.61Å; W241-I311 HydrophobicContact CE3-CD1 3.27Å; W241-I311 HydrophobicContact CG-CD1 4.22Å; W241-I311 HydrophobicContact CH2-CD1 4.24Å; W241-I311 HydrophobicContact CZ3-CD1 3.62Å
242	W	98.8	Very high	98	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.9	-49.6	168.6	172.4	-83.2	0	0	0	110.8	L225 A226 P227 A238 V239 L244 G245 V246 F258 I270 L293 V295	L225-W242 PolarHBondContact O-NE1 2.85Å; L225-W242 VanDerWaalsContact O-NE1 3.13Å; A226-W242 HydrophobicContact CB-CB 3.96Å; A226-W242 HydrophobicContact CB-CD2 4.38Å; A226-W242 HydrophobicContact CB-CG 3.82Å; P227-W242 HydrophobicContact CG-CE3 4.17Å; P227-W242 HydrophobicContact CG-CH2 3.58Å; P227-W242 HydrophobicContact CG-CZ2 4Å; P227-W242 HydrophobicContact CG-CZ3 3.66Å; A238-W242 PolarHBondContact O-N 3.25Å; V239-W242 WeakPolarHBondContact O-CB 3.4Å; V239-W242 PolarHBondContact O-N 3.27Å; W242-L244 VanDerWaalsContact C-N 3.26Å; W242-L244 PolarHBondContact O-N 2.92Å; W242-G245 VanDerWaalsContact O-CA 3.32Å; W242-G245 WeakPolarHBondContact O-CA 3.39Å; W242-G245 PolarHBondContact O-N 3.31Å; W242-V246 PolarHBondContact O-N 2.98Å; W242-F258 HydrophobicContact CH2-CE2 4.09Å; W242-F258 HydrophobicContact CH2-CZ 4.05Å; W242-F258 HydrophobicContact CZ2-CD2 4.38Å; W242-F258 AromaticContact CZ2-CE2 3.47Å; W242-F258 HydrophobicContact CZ2-CE2 3.47Å; W242-F258 VanDerWaalsContact CZ2-CE2 3.47Å; W242-F258 AromaticContact CZ2-CZ 3.89Å; W242-F258 HydrophobicContact CZ2-CZ 3.89Å; W242-I270 HydrophobicContact CH2-CG2 4.31Å; W242-I270 HydrophobicContact CZ2-CG2 3.72Å; W242-L293 HydrophobicContact CD2-CD2 4.09Å; W242-L293 HydrophobicContact CE3-CD2 4.39Å; W242-L293 HydrophobicContact CH2-CB 4.4Å; W242-L293 HydrophobicContact CZ2-CD2 4.25Å; W242-L293 HydrophobicContact CZ3-CB 4.23Å; W242-L293 WeakPolarHBondContact CZ3-O 3.3Å; W242-V295 HydrophobicContact CH2-CG2 4.39Å; W242-V295 HydrophobicContact CZ3-CG2 4.31Å
243	A	98.9	Very high	98.2	Very high	7 Å²	7	14.8 Å²	14.8	6%	0.058	7%	0.073	C	C	.	.	H	α-helix	trans	-60.3	-36.1	179.5	0	0	0	0	0	111.9	L187 Y224 V239 D240 G245 V246 L247	L187-A243 HydrophobicContact CB-CB 3.95Å; L187-A243 HydrophobicContact CD2-CB 4.18Å; Y224-A243 HydrophobicContact CD1-CB 4.2Å; V239-A243 PolarHBondContact O-N 2.82Å; D240-A243 PolarHBondContact O-N 2.83Å; A243-G245 VanDerWaalsContact C-N 3.3Å; A243-G245 PolarHBondContact O-N 2.78Å; A243-V246 WeakPolarHBondContact O-CB 3.27Å; A243-V246 PolarHBondContact O-N 3.01Å; A243-L247 PolarHBondContact O-N 2.95Å
244	L	98.9	Very high	98.3	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-58.8	-41.5	170.2	175.1	65.5	0	0	0	111.6	A167 I170 V171 F174 L187 D240 W241 W242 V246 L247 I248 L292	A167-L244 HydrophobicContact CB-CD1 4.45Å; I170-L244 HydrophobicContact CB-CD1 3.99Å; I170-L244 HydrophobicContact CG2-CD1 3.83Å; V171-L244 HydrophobicContact CG2-CD2 3.51Å; F174-L244 HydrophobicContact CE2-CB 4.29Å; L187-L244 HydrophobicContact CD2-CB 4.4Å; D240-L244 PolarHBondContact O-N 2.68Å; W241-L244 HydrophobicContact CE3-CD2 3.74Å; W241-L244 HydrophobicContact CZ3-CD2 3.88Å; W242-L244 VanDerWaalsContact C-N 3.26Å; W242-L244 PolarHBondContact O-N 2.92Å; L244-V246 VanDerWaalsContact C-N 3.34Å; L244-L247 PolarHBondContact O-N 2.9Å; L244-I248 HydrophobicContact CD1-CD1 3.88Å; L244-I248 HydrophobicContact CD1-CG1 4.03Å; L244-I248 HydrophobicContact CD2-CD1 4.42Å; L244-I248 HydrophobicContact CG-CD1 3.82Å; L244-I248 HydrophobicContact CG-CG1 4.36Å; L244-I248 WeakPolarHBondContact O-CB 3.48Å; L244-I248 VanDerWaalsContact O-CG1 3.25Å; L244-I248 WeakPolarHBondContact O-CG1 3.38Å; L244-I248 PolarHBondContact O-N 2.79Å; L244-L292 HydrophobicContact CD2-CD1 4.35Å; L244-L292 HydrophobicContact CG-CD1 4.32Å
245	G	98.9	Very high	98.5	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.2	-43	173.9	0	0	0	0	0	112.5	W241 W242 A243 Y249 L289	W241-G245 PolarHBondContact O-N 2.98Å; W242-G245 VanDerWaalsContact O-CA 3.32Å; W242-G245 WeakPolarHBondContact O-CA 3.39Å; W242-G245 PolarHBondContact O-N 3.31Å; A243-G245 VanDerWaalsContact C-N 3.3Å; A243-G245 PolarHBondContact O-N 2.78Å; G245-Y249 WeakPolarHBondContact O-CB 3.5Å; G245-Y249 PolarHBondContact O-N 2.81Å; G245-Y249 VanDerWaalsContact O-N 3.08Å; G245-L289 WeakPolarHBondContact O-CD2 3.39Å
246	V	98.9	Very high	98.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-62.8	-47	176	-179.3	0	0	0	0	110.2	E223 Y224 W242 A243 L244 Y249 E250 P257 L293	E223-V246 WeakPolarHBondContact O-CG1 3.32Å; Y224-V246 HydrophobicContact CD1-CB 3.68Å; Y224-V246 HydrophobicContact CD1-CG1 3.56Å; Y224-V246 HydrophobicContact CD2-CG1 4.1Å; Y224-V246 HydrophobicContact CE1-CB 3.73Å; Y224-V246 HydrophobicContact CE1-CG1 3.47Å; Y224-V246 VanDerWaalsContact CE1-CG1 3.47Å; Y224-V246 HydrophobicContact CE2-CG1 3.97Å; Y224-V246 HydrophobicContact CG-CB 4.37Å; Y224-V246 HydrophobicContact CG-CG1 3.88Å; W242-V246 PolarHBondContact O-N 2.98Å; A243-V246 WeakPolarHBondContact O-CB 3.27Å; A243-V246 PolarHBondContact O-N 3.01Å; L244-V246 VanDerWaalsContact C-N 3.34Å; V246-Y249 WeakPolarHBondContact O-CB 3.42Å; V246-Y249 PolarHBondContact O-N 2.99Å; V246-E250 WeakPolarHBondContact O-CB 3.45Å; V246-E250 PolarHBondContact O-N 3.36Å; V246-P257 HydrophobicContact CB-CG 4.42Å; V246-P257 HydrophobicContact CG1-CG 4.11Å; V246-P257 HydrophobicContact CG2-CG 4.28Å; V246-L293 HydrophobicContact CG2-CD2 3.72Å
247	L	98.9	Very high	98.6	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61.8	-46.6	179.7	-176.2	68.3	0	0	0	112.2	M148 I170 L187 P189 L192 Y224 A243 L244 Y249 E250 M251	M148-L247 HydrophobicContact SD-CD1 4.4Å; I170-L247 HydrophobicContact CG1-CD2 3.97Å; L187-L247 HydrophobicContact CD1-CD2 4.12Å; L187-L247 HydrophobicContact CD2-CB 4.04Å; L187-L247 HydrophobicContact CD2-CD2 3.84Å; L187-L247 HydrophobicContact CG-CD2 4.1Å; P189-L247 HydrophobicContact CG-CD1 3.88Å; L192-L247 HydrophobicContact CD1-CD1 4Å; L192-L247 HydrophobicContact CD1-CD2 3.63Å; L192-L247 HydrophobicContact CD1-CG 4.47Å; Y224-L247 HydrophobicContact CE1-CB 4.01Å; A243-L247 PolarHBondContact O-N 2.95Å; L244-L247 PolarHBondContact O-N 2.9Å; L247-Y249 VanDerWaalsContact C-N 3.31Å; L247-Y249 PolarHBondContact O-N 3.41Å; L247-E250 PolarHBondContact O-N 3.27Å; L247-M251 HydrophobicContact CD1-CG 4.41Å; L247-M251 HydrophobicContact CD2-CE 4.38Å; L247-M251 HydrophobicContact CG-CE 4.03Å; L247-M251 HydrophobicContact CG-CG 4.46Å; L247-M251 HydrophobicContact CG-SD 4.42Å; L247-M251 WeakPolarHBondContact O-CB 3.25Å; L247-M251 WeakPolarHBondContact O-CG 3.33Å; L247-M251 PolarHBondContact O-N 2.98Å
248	I	98.9	Very high	98.6	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-61	-43.8	178.4	-69.6	170.1	0	0	0	110.4	A167 L244 M251 A252 L285 L288 L289 L292 W316	A167-I248 HydrophobicContact CB-CD1 3.85Å; A167-I248 HydrophobicContact CB-CG1 3.66Å; L244-I248 HydrophobicContact CD1-CD1 3.88Å; L244-I248 HydrophobicContact CD1-CG1 4.03Å; L244-I248 HydrophobicContact CD2-CD1 4.42Å; L244-I248 HydrophobicContact CG-CD1 3.82Å; L244-I248 HydrophobicContact CG-CG1 4.36Å; L244-I248 WeakPolarHBondContact O-CB 3.48Å; L244-I248 VanDerWaalsContact O-CG1 3.25Å; L244-I248 WeakPolarHBondContact O-CG1 3.38Å; L244-I248 PolarHBondContact O-N 2.79Å; I248-M251 HydrophobicContact CG1-CE 4.37Å; I248-A252 WeakPolarHBondContact O-CB 3.35Å; I248-A252 PolarHBondContact O-N 3Å; I248-A252 VanDerWaalsContact O-N 3.16Å; I248-L285 HydrophobicContact CG2-CD1 3.52Å; I248-L288 HydrophobicContact CD1-CD2 4.11Å; I248-L289 HydrophobicContact CB-CD2 3.96Å; I248-L289 HydrophobicContact CG2-CD2 3.86Å; I248-L289 HydrophobicContact CG2-CG 4.48Å; I248-L292 HydrophobicContact CD1-CD1 3.97Å; I248-W316 HydrophobicContact CD1-CZ3 4.36Å; I248-W316 HydrophobicContact CG2-CH2 3.95Å; I248-W316 HydrophobicContact CG2-CZ2 4.4Å; I248-W316 HydrophobicContact CG2-CZ3 4.35Å
249	Y	98.9	Very high	98.5	Very high	6 Å²	6	13.7 Å²	13.7	2%	0.024	7%	0.067	C	C	.	.	H	α-helix	trans	-59.4	-51.5	175.5	-175.9	-68.3	0	0	0	110.2	G245 V246 L247 M251 A252 A253 Y255 P257 V275 K276 F277 F281 L289	G245-Y249 WeakPolarHBondContact O-CB 3.5Å; G245-Y249 PolarHBondContact O-N 2.81Å; G245-Y249 VanDerWaalsContact O-N 3.08Å; V246-Y249 WeakPolarHBondContact O-CB 3.42Å; V246-Y249 PolarHBondContact O-N 2.99Å; L247-Y249 VanDerWaalsContact C-N 3.31Å; L247-Y249 PolarHBondContact O-N 3.41Å; Y249-M251 PolarHBondContact O-N 3.31Å; Y249-A252 PolarHBondContact O-N 3.02Å; Y249-A253 HydrophobicContact CD1-CB 3.88Å; Y249-A253 HydrophobicContact CE1-CB 3.61Å; Y249-A253 VanDerWaalsContact O-CB 3.24Å; Y249-A253 WeakPolarHBondContact O-CB 3.42Å; Y249-A253 PolarHBondContact O-N 3.06Å; Y249-Y255 VanDerWaalsContact CD1-O 3.24Å; Y249-Y255 WeakPolarHBondContact CD1-O 3.47Å; Y249-Y255 HydrophobicContact CE1-CD2 4.03Å; Y249-Y255 AromaticContact CE1-CE2 3.82Å; Y249-Y255 HydrophobicContact CE1-CE2 3.82Å; Y249-Y255 VanDerWaalsContact CE1-O 3.28Å; Y249-Y255 WeakPolarHBondContact CE1-O 3.39Å; Y249-P257 HydrophobicContact CD1-CB 3.89Å; Y249-P257 HydrophobicContact CD1-CG 4.2Å; Y249-P257 HydrophobicContact CD2-CB 3.73Å; Y249-P257 HydrophobicContact CD2-CG 4.41Å; Y249-P257 HydrophobicContact CE1-CB 4.05Å; Y249-P257 HydrophobicContact CE2-CB 3.87Å; Y249-P257 HydrophobicContact CG-CB 3.76Å; Y249-P257 HydrophobicContact CG-CG 4.03Å; Y249-V275 HydrophobicContact CD2-CG1 4.19Å; Y249-V275 HydrophobicContact CE2-CG1 3.82Å; Y249-K276 WeakPolarHBondContact CE2-O 3.49Å; Y249-K276 PolarHBondContact OH-O 2.98Å; Y249-F277 HydrophobicContact CD2-CD1 4.21Å; Y249-F277 HydrophobicContact CD2-CE1 4.26Å; Y249-F277 AromaticContact CE2-CD1 3.96Å; Y249-F277 HydrophobicContact CE2-CD1 3.96Å; Y249-F277 HydrophobicContact CE2-CE1 4.33Å; Y249-F281 AromaticContact CD2-CE2 3.94Å; Y249-F281 HydrophobicContact CD2-CE2 3.94Å; Y249-F281 HydrophobicContact CD2-CZ 4.48Å; Y249-F281 HydrophobicContact CE2-CE2 4.19Å; Y249-F281 HydrophobicContact CG-CE2 4.33Å; Y249-F281 HydrophobicContact CG-CZ 4.5Å; Y249-L289 HydrophobicContact CD2-CD1 4.05Å
250	E	98.8	Very high	98.4	Very high	8 Å²	8	14.7 Å²	14.7	4%	0.037	8%	0.076	C	C	.	.	H	α-helix	trans	-62.8	-43.3	-175.6	-177	163.9	-164	0	0	112.2	L152 R153 Y224 V246 L247 A252 G254 Y255	L152-E250 HydrophobicContact CD2-CG 3.97Å; R153-E250 IonicContact CZ-OE1 3.77Å; R153-E250 IonicContact NH2-OE1 2.78Å; R153-E250 PolarHBondContact NH2-OE1 2.86Å; Y224-E250 PolarHBondContact OH-OE2 3.44Å; V246-E250 WeakPolarHBondContact O-CB 3.45Å; V246-E250 PolarHBondContact O-N 3.36Å; L247-E250 PolarHBondContact O-N 3.27Å; E250-A252 VanDerWaalsContact C-N 3.33Å; E250-A252 PolarHBondContact O-N 2.83Å; E250-G254 VanDerWaalsContact O-CA 3.28Å; E250-G254 WeakPolarHBondContact O-CA 3.41Å; E250-G254 PolarHBondContact O-N 2.82Å; E250-Y255 WeakPolarHBondContact CA-O 3.48Å
251	M	98.8	Very high	98.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-58.8	-44.1	175	-73.4	-170.7	-63.9	0	0	112	M148 F158 S163 Y166 A167 L247 I248 Y249	M148-M251 HydrophobicContact CE-SD 4.08Å; M148-M251 HydrophobicContact SD-CG 4.11Å; M148-M251 HydrophobicContact SD-SD 3.78Å; F158-M251 HydrophobicContact CD2-CB 3.97Å; F158-M251 HydrophobicContact CD2-CG 3.96Å; F158-M251 HydrophobicContact CD2-SD 4.12Å; F158-M251 HydrophobicContact CE2-CG 4.3Å; F158-M251 HydrophobicContact CE2-SD 4.4Å; F158-M251 PolarHBondContact N-O 3.36Å; S163-M251 WeakPolarHBondContact O-CE 3.33Å; Y166-M251 HydrophobicContact CD2-SD 3.98Å; Y166-M251 HydrophobicContact CG-SD 4.39Å; A167-M251 HydrophobicContact CB-CE 4.33Å; L247-M251 HydrophobicContact CD1-CG 4.41Å; L247-M251 HydrophobicContact CD2-CE 4.38Å; L247-M251 HydrophobicContact CG-CE 4.03Å; L247-M251 HydrophobicContact CG-CG 4.46Å; L247-M251 HydrophobicContact CG-SD 4.42Å; L247-M251 WeakPolarHBondContact O-CB 3.25Å; L247-M251 WeakPolarHBondContact O-CG 3.33Å; L247-M251 PolarHBondContact O-N 2.98Å; I248-M251 HydrophobicContact CG1-CE 4.37Å; Y249-M251 PolarHBondContact O-N 3.31Å
252	A	98.7	Very high	98.2	Very high	2 Å²	2	27.1 Å²	27.1	2%	0.017	14%	0.139	C	C	.	.	H	α-helix	trans	-80.8	-29.4	-174.5	0	0	0	0	0	113.6	R157 I248 Y249 E250 F281 L285	R157-A252 WeakPolarHBondContact CD-O 3.43Å; R157-A252 PolarHBondContact NH1-O 2.91Å; I248-A252 WeakPolarHBondContact O-CB 3.35Å; I248-A252 PolarHBondContact O-N 3Å; I248-A252 VanDerWaalsContact O-N 3.16Å; Y249-A252 PolarHBondContact O-N 3.02Å; E250-A252 VanDerWaalsContact C-N 3.33Å; E250-A252 PolarHBondContact O-N 2.83Å; A252-F281 HydrophobicContact CB-CE1 3.62Å; A252-F281 HydrophobicContact CB-CZ 3.65Å; A252-L285 HydrophobicContact CB-CD2 3.87Å
253	A	98.5	Very high	98.1	Very high	7 Å²	7	29.7 Å²	29.7	6%	0.058	16%	0.156	C	C	.	.	H	α-helix	trans	-92.9	-31.7	-179.3	0	0	0	0	0	113.3	Y249 Y255 P278 F281	Y249-A253 HydrophobicContact CD1-CB 3.88Å; Y249-A253 HydrophobicContact CE1-CB 3.61Å; Y249-A253 VanDerWaalsContact O-CB 3.24Å; Y249-A253 WeakPolarHBondContact O-CB 3.42Å; Y249-A253 PolarHBondContact O-N 3.06Å; A253-Y255 HydrophobicContact CB-CD1 4.12Å; A253-Y255 HydrophobicContact CB-CD2 4.44Å; A253-Y255 HydrophobicContact CB-CE1 3.93Å; A253-Y255 HydrophobicContact CB-CE2 4.26Å; A253-Y255 HydrophobicContact CB-CG 4.38Å; A253-Y255 WeakPolarHBondContact O-CD1 3.35Å; A253-P278 HydrophobicContact CB-CG 3.99Å; A253-F281 HydrophobicContact CB-CE1 4.09Å; A253-F281 HydrophobicContact CB-CZ 3.81Å
254	G	97.9	Very high	98	Very high	10 Å²	10	34.5 Å²	34.5	10%	0.103	18%	0.179	C	C	.	.	S	Bend	trans	89.6	-0.1	-169.5	0	0	0	0	0	114.7	R153 G156 E250	R153-G254 PolarHBondContact NH1-O 2.73Å; G156-G254 WeakPolarHBondContact O-CA 3.46Å; E250-G254 VanDerWaalsContact O-CA 3.28Å; E250-G254 WeakPolarHBondContact O-CA 3.41Å; E250-G254 PolarHBondContact O-N 2.82Å
255	Y	97.8	Very high	97.9	Very high	94 Å²	94	38.4 Å²	38.4	37%	0.369	20%	0.198	S	C	.	.	S	Bend	trans	-152.5	151.9	-179.6	56.8	-93.4	0	0	0	109.9	Y249 E250 A253 F259	Y249-Y255 VanDerWaalsContact CD1-O 3.24Å; Y249-Y255 WeakPolarHBondContact CD1-O 3.47Å; Y249-Y255 HydrophobicContact CE1-CD2 4.03Å; Y249-Y255 AromaticContact CE1-CE2 3.82Å; Y249-Y255 HydrophobicContact CE1-CE2 3.82Å; Y249-Y255 VanDerWaalsContact CE1-O 3.28Å; Y249-Y255 WeakPolarHBondContact CE1-O 3.39Å; E250-Y255 WeakPolarHBondContact CA-O 3.48Å; A253-Y255 HydrophobicContact CB-CD1 4.12Å; A253-Y255 HydrophobicContact CB-CD2 4.44Å; A253-Y255 HydrophobicContact CB-CE1 3.93Å; A253-Y255 HydrophobicContact CB-CE2 4.26Å; A253-Y255 HydrophobicContact CB-CG 4.38Å; A253-Y255 WeakPolarHBondContact O-CD1 3.35Å; Y255-F259 HydrophobicContact CD2-CD1 4.46Å; Y255-F259 AromaticContact CD2-CE1 3.98Å; Y255-F259 HydrophobicContact CD2-CE1 3.98Å; Y255-F259 HydrophobicContact CE2-CE1 4.37Å
256	P	98.2	Very high	97.9	Very high	12 Å²	12	38.7 Å²	38.7	8%	0.078	20%	0.199	C	C	.	.			trans	-70.9	156.5	-177.6	28.6	-34.2	0	0	0	112.2	E223 F258 F259	E223-P256 HydrophobicContact CB-CB 4.3Å; E223-P256 HydrophobicContact CG-CB 4.46Å; E223-P256 HydrophobicContact CG-CG 4.13Å; P256-F258 PolarHBondContact O-N 3.31Å; P256-F259 HydrophobicContact CG-CB 4.17Å; P256-F259 WeakPolarHBondContact O-CD1 3.26Å
257	P	98.5	Very high	97.8	Very high	15 Å²	15	41.4 Å²	41.4	10%	0.097	21%	0.21	C	C	.	.	S	Bend	trans	-65.6	-26.4	-179.6	24	-31.7	0	0	0	113.6	V246 Y249 V275 L293	V246-P257 HydrophobicContact CB-CG 4.42Å; V246-P257 HydrophobicContact CG1-CG 4.11Å; V246-P257 HydrophobicContact CG2-CG 4.28Å; Y249-P257 HydrophobicContact CD1-CB 3.89Å; Y249-P257 HydrophobicContact CD1-CG 4.2Å; Y249-P257 HydrophobicContact CD2-CB 3.73Å; Y249-P257 HydrophobicContact CD2-CG 4.41Å; Y249-P257 HydrophobicContact CE1-CB 4.05Å; Y249-P257 HydrophobicContact CE2-CB 3.87Å; Y249-P257 HydrophobicContact CG-CB 3.76Å; Y249-P257 HydrophobicContact CG-CG 4.03Å; P257-V275 HydrophobicContact CB-CG1 4.14Å; P257-L293 HydrophobicContact CB-CD1 4.29Å; P257-L293 HydrophobicContact CG-CD1 4.19Å
258	F	98.2	Very high	97.8	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.009	24%	0.238	C	C	.	.	S	Bend	trans	-127.8	115.2	179.5	-44.3	-75.9	0	0	0	108.5	W242 P256 I266 K269 I270 V275	W242-F258 HydrophobicContact CH2-CE2 4.09Å; W242-F258 HydrophobicContact CH2-CZ 4.05Å; W242-F258 HydrophobicContact CZ2-CD2 4.38Å; W242-F258 AromaticContact CZ2-CE2 3.47Å; W242-F258 HydrophobicContact CZ2-CE2 3.47Å; W242-F258 VanDerWaalsContact CZ2-CE2 3.47Å; W242-F258 AromaticContact CZ2-CZ 3.89Å; W242-F258 HydrophobicContact CZ2-CZ 3.89Å; P256-F258 PolarHBondContact O-N 3.31Å; F258-I266 HydrophobicContact CB-CG2 4.22Å; F258-K269 HydrophobicContact CB-CB 4.37Å; F258-K269 HydrophobicContact CD1-CB 4Å; F258-I270 HydrophobicContact CB-CD1 4.47Å; F258-I270 HydrophobicContact CB-CG1 3.8Å; F258-I270 HydrophobicContact CD1-CG1 4.25Å; F258-I270 HydrophobicContact CD2-CD1 4.45Å; F258-I270 HydrophobicContact CD2-CG1 3.54Å; F258-I270 HydrophobicContact CE2-CG1 4.13Å; F258-I270 HydrophobicContact CG-CG1 3.6Å; F258-V275 HydrophobicContact CE1-CG2 3.8Å; F258-V275 HydrophobicContact CE2-CG2 4.45Å; F258-V275 HydrophobicContact CZ-CG2 3.48Å; F258-V275 VanDerWaalsContact CZ-CG2 3.48Å
259	F	96.3	Very high	97.8	Very high	113 Å²	113	51.9 Å²	51.9	50%	0.496	26%	0.257	S	S	.	.			trans	-144.7	149.4	176.5	61	-85	0	0	0	110.1	Y255 P256 K269	Y255-F259 HydrophobicContact CD2-CD1 4.46Å; Y255-F259 AromaticContact CD2-CE1 3.98Å; Y255-F259 HydrophobicContact CD2-CE1 3.98Å; Y255-F259 HydrophobicContact CE2-CE1 4.37Å; P256-F259 HydrophobicContact CG-CB 4.17Å; P256-F259 WeakPolarHBondContact O-CD1 3.26Å; F259-K269 PolarHBondContact O-NZ 2.9Å
260	A	97.2	Very high	97.7	Very high	27 Å²	27	51.6 Å²	51.6	22%	0.223	26%	0.256	C	S	.	.			trans	-166.7	171.1	173.9	0	0	0	0	0	108.4	Q262 Q265 I266	A260-Q262 VanDerWaalsContact C-N 3.33Å; A260-Q262 PolarHBondContact O-N 2.88Å; A260-Q265 HydrophobicContact CB-CB 3.45Å; A260-Q265 VanDerWaalsContact CB-CB 3.45Å; A260-Q265 HydrophobicContact CB-CG 4.5Å; A260-I266 HydrophobicContact CB-CG1 3.9Å
261	D	96.1	Very high	97.7	Very high	151 Å²	151	53.6 Å²	53.6	81%	0.807	27%	0.269	S	S	*	.	S	Bend	trans	-73.9	-27.3	-176.6	-56.4	-35.2	0	0	0	112.7
262	Q	96.8	Very high	97.6	Very high	115 Å²	115	56.7 Å²	56.7	54%	0.537	29%	0.29	S	S	.	.	S	Bend	trans	-118	137.5	-179.2	-63	-61	-42	0	0	111.1	A260 I264 Q265 I266	A260-Q262 VanDerWaalsContact C-N 3.33Å; A260-Q262 PolarHBondContact O-N 2.88Å; Q262-I264 HydrophobicContact CB-CG2 4.14Å; Q262-I264 PolarHBondContact O-N 2.65Å; Q262-I264 VanDerWaalsContact O-N 3.1Å; Q262-Q265 HydrophobicContact CB-CG 4.32Å; Q262-Q265 WeakPolarHBondContact O-CB 3.43Å; Q262-Q265 PolarHBondContact O-N 3.49Å; Q262-I266 PolarHBondContact O-N 3.06Å
263	P	96.3	Very high	97.4	Very high	55 Å²	55	57.9 Å²	57.9	36%	0.357	30%	0.303	S	S	.	.	H	α-helix	trans	-52.6	-37.1	179.8	-29.6	35.4	0	0	0	113.9	P222 Q265 I266 Y267	P222-P263 HydrophobicContact CB-CB 4.44Å; P222-P263 HydrophobicContact CG-CB 4.42Å; P263-Q265 VanDerWaalsContact C-N 3.28Å; P263-Q265 PolarHBondContact O-N 2.95Å; P263-I266 WeakPolarHBondContact O-CB 3.39Å; P263-I266 PolarHBondContact O-N 3.41Å; P263-I266 VanDerWaalsContact O-N 3.1Å; P263-Y267 HydrophobicContact CB-CE1 4.39Å; P263-Y267 HydrophobicContact CB-CE2 4.13Å; P263-Y267 VanDerWaalsContact O-CD1 3.27Å; P263-Y267 WeakPolarHBondContact O-CD1 3.29Å; P263-Y267 WeakPolarHBondContact O-CD2 3.46Å; P263-Y267 PolarHBondContact O-N 3.34Å
264	I	96.5	Very high	97.2	Very high	107 Å²	107	65.7 Å²	65.7	55%	0.549	34%	0.335	S	S	.	.	H	α-helix	trans	-60.3	-37	179.2	-167.6	60.3	0	0	0	112.8	Q262 Y267 E268	Q262-I264 HydrophobicContact CB-CG2 4.14Å; Q262-I264 PolarHBondContact O-N 2.65Å; Q262-I264 VanDerWaalsContact O-N 3.1Å; I264-Y267 HydrophobicContact CD1-CD2 4.31Å; I264-Y267 WeakPolarHBondContact O-CB 3.17Å; I264-Y267 PolarHBondContact O-N 3.44Å; I264-E268 WeakPolarHBondContact O-CG 3.31Å; I264-E268 PolarHBondContact O-N 3.17Å
265	Q	97.9	Very high	97.2	Very high	83 Å²	83	66.7 Å²	66.7	39%	0.388	34%	0.339	S	S	.	.	H	α-helix	trans	-73	-33	178.1	-63.3	171.4	-31	0	0	111.3	A260 Q262 P263 Y267 K269	A260-Q265 HydrophobicContact CB-CB 3.45Å; A260-Q265 VanDerWaalsContact CB-CB 3.45Å; A260-Q265 HydrophobicContact CB-CG 4.5Å; Q262-Q265 HydrophobicContact CB-CG 4.32Å; Q262-Q265 WeakPolarHBondContact O-CB 3.43Å; Q262-Q265 PolarHBondContact O-N 3.49Å; P263-Q265 VanDerWaalsContact C-N 3.28Å; P263-Q265 PolarHBondContact O-N 2.95Å; Q265-Y267 VanDerWaalsContact C-N 3.33Å; Q265-K269 WeakPolarHBondContact O-CG 3.47Å; Q265-K269 PolarHBondContact O-N 2.89Å
266	I	98	Very high	97.2	Very high	5 Å²	5	70.9 Å²	70.9	3%	0.026	36%	0.36	C	S	.	.	H	α-helix	trans	-63.3	-45.2	172.2	-56.7	177.5	0	0	0	109.2	P222 E223 F258 A260 Q262 P263 E268 K269 I270	P222-I266 HydrophobicContact CB-CD1 4.26Å; E223-I266 HydrophobicContact CG-CD1 4.22Å; F258-I266 HydrophobicContact CB-CG2 4.22Å; A260-I266 HydrophobicContact CB-CG1 3.9Å; Q262-I266 PolarHBondContact O-N 3.06Å; P263-I266 WeakPolarHBondContact O-CB 3.39Å; P263-I266 PolarHBondContact O-N 3.41Å; P263-I266 VanDerWaalsContact O-N 3.1Å; I266-E268 PolarHBondContact O-N 3.16Å; I266-K269 WeakPolarHBondContact O-CB 3.5Å; I266-K269 PolarHBondContact O-N 3.47Å; I266-I270 HydrophobicContact CG2-CD1 3.77Å; I266-I270 HydrophobicContact CG2-CG1 4.41Å; I266-I270 WeakPolarHBondContact O-CG1 3.37Å; I266-I270 PolarHBondContact O-N 3.35Å
267	Y	97.9	Very high	97.2	Very high	58 Å²	58	72.8 Å²	72.8	23%	0.227	37%	0.367	C	S	.	.	H	α-helix	trans	-61	-44.1	179.8	-60	-16.7	0	0	0	112.7	P222 L225 I230 P263 I264 Q265 K269 I270 V271	P222-Y267 HydrophobicContact CB-CE1 3.87Å; L225-Y267 HydrophobicContact CD1-CE1 3.79Å; I230-Y267 HydrophobicContact CD1-CD1 3.84Å; I230-Y267 HydrophobicContact CD1-CG 4.26Å; I230-Y267 HydrophobicContact CG1-CD1 4Å; I230-Y267 HydrophobicContact CG1-CG 4.25Å; I230-Y267 HydrophobicContact CG2-CG 4.11Å; P263-Y267 HydrophobicContact CB-CE1 4.39Å; P263-Y267 HydrophobicContact CB-CE2 4.13Å; P263-Y267 VanDerWaalsContact O-CD1 3.27Å; P263-Y267 WeakPolarHBondContact O-CD1 3.29Å; P263-Y267 WeakPolarHBondContact O-CD2 3.46Å; P263-Y267 PolarHBondContact O-N 3.34Å; I264-Y267 HydrophobicContact CD1-CD2 4.31Å; I264-Y267 WeakPolarHBondContact O-CB 3.17Å; I264-Y267 PolarHBondContact O-N 3.44Å; Q265-Y267 VanDerWaalsContact C-N 3.33Å; Y267-K269 VanDerWaalsContact C-N 3.31Å; Y267-K269 PolarHBondContact O-N 3.29Å; Y267-I270 PolarHBondContact O-N 3.48Å; Y267-V271 WeakPolarHBondContact O-CG2 3.45Å; Y267-V271 PolarHBondContact O-N 2.98Å
268	E	97.8	Very high	97.2	Very high	129 Å²	129	72.7 Å²	72.7	60%	0.603	37%	0.366	S	S	*	.	H	α-helix	trans	-57.5	-43.7	174.7	-73	173.7	-179.8	0	0	112	I264 I266 S272	I264-E268 WeakPolarHBondContact O-CG 3.31Å; I264-E268 PolarHBondContact O-N 3.17Å; I266-E268 PolarHBondContact O-N 3.16Å; E268-S272 WeakPolarHBondContact O-CB 3.14Å; E268-S272 PolarHBondContact O-N 3.27Å
269	K	98.1	Very high	97.2	Very high	91 Å²	91	78 Å²	78	40%	0.396	40%	0.404	S	S	.	.	H	α-helix	trans	-66.2	-41.5	177.9	-69.9	178.3	-179.5	-171.6	0	112.6	F258 F259 Q265 I266 Y267 S272 G273	F258-K269 HydrophobicContact CB-CB 4.37Å; F258-K269 HydrophobicContact CD1-CB 4Å; F259-K269 PolarHBondContact O-NZ 2.9Å; Q265-K269 WeakPolarHBondContact O-CG 3.47Å; Q265-K269 PolarHBondContact O-N 2.89Å; I266-K269 WeakPolarHBondContact O-CB 3.5Å; I266-K269 PolarHBondContact O-N 3.47Å; Y267-K269 VanDerWaalsContact C-N 3.31Å; Y267-K269 PolarHBondContact O-N 3.29Å; K269-S272 PolarHBondContact O-N 3.42Å; K269-S272 PolarHBondContact O-OG 2.66Å; K269-G273 PolarHBondContact O-N 2.78Å
270	I	98.2	Very high	97.3	Very high	0 Å²	0	76.6 Å²	76.6	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-61.7	-51	177.3	-73.2	166.9	0	0	0	110.1	P222 P227 I230 W242 F258 I266 Y267 S272 G273	P222-I270 WeakPolarHBondContact O-CD1 3.31Å; P227-I270 HydrophobicContact CB-CG2 4.27Å; P227-I270 HydrophobicContact CG-CG2 3.74Å; I230-I270 HydrophobicContact CD1-CB 3.8Å; I230-I270 HydrophobicContact CD1-CD1 3.8Å; I230-I270 HydrophobicContact CD1-CG1 4.41Å; I230-I270 HydrophobicContact CD1-CG2 3.48Å; I230-I270 VanDerWaalsContact CD1-CG2 3.48Å; W242-I270 HydrophobicContact CH2-CG2 4.31Å; W242-I270 HydrophobicContact CZ2-CG2 3.72Å; F258-I270 HydrophobicContact CB-CD1 4.47Å; F258-I270 HydrophobicContact CB-CG1 3.8Å; F258-I270 HydrophobicContact CD1-CG1 4.25Å; F258-I270 HydrophobicContact CD2-CD1 4.45Å; F258-I270 HydrophobicContact CD2-CG1 3.54Å; F258-I270 HydrophobicContact CE2-CG1 4.13Å; F258-I270 HydrophobicContact CG-CG1 3.6Å; I266-I270 HydrophobicContact CG2-CD1 3.77Å; I266-I270 HydrophobicContact CG2-CG1 4.41Å; I266-I270 WeakPolarHBondContact O-CG1 3.37Å; I266-I270 PolarHBondContact O-N 3.35Å; Y267-I270 PolarHBondContact O-N 3.48Å; I270-S272 VanDerWaalsContact C-N 3.27Å; I270-S272 PolarHBondContact O-N 3.5Å; I270-G273 PolarHBondContact O-N 3.44Å
271	V	97.5	Very high	97.3	Very high	50 Å²	50	75.6 Å²	75.6	30%	0.303	39%	0.389	S	S	.	.	H	α-helix	trans	-65.2	-31.6	-178.4	174	0	0	0	0	111.6	I230 L231 Y267 G273	I230-V271 HydrophobicContact CB-CG2 4.28Å; I230-V271 HydrophobicContact CG2-CG2 3.79Å; L231-V271 HydrophobicContact CD1-CG1 4.34Å; L231-V271 HydrophobicContact CD2-CG1 4.08Å; L231-V271 HydrophobicContact CD2-CG2 4.14Å; L231-V271 HydrophobicContact CG-CG1 4.46Å; L231-V271 HydrophobicContact CG-CG2 4.11Å; Y267-V271 WeakPolarHBondContact O-CG2 3.45Å; Y267-V271 PolarHBondContact O-N 2.98Å; V271-G273 PolarHBondContact O-N 3.47Å
272	S	96.9	Very high	97.5	Very high	64 Å²	64	69.9 Å²	69.9	45%	0.448	36%	0.361	S	S	.	.	H	α-helix	trans	-67.9	-19.2	176.1	98	0	0	0	0	113.4	E268 K269 I270 K274	E268-S272 WeakPolarHBondContact O-CB 3.14Å; E268-S272 PolarHBondContact O-N 3.27Å; K269-S272 PolarHBondContact O-N 3.42Å; K269-S272 PolarHBondContact O-OG 2.66Å; I270-S272 VanDerWaalsContact C-N 3.27Å; I270-S272 PolarHBondContact O-N 3.5Å; S272-K274 PolarHBondContact O-N 2.92Å; S272-K274 VanDerWaalsContact O-N 3.15Å; S272-K274 PolarHBondContact OG-N 2.8Å
273	G	94.2	Very high	97.6	Very high	28 Å²	28	70.3 Å²	70.3	29%	0.289	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	14.5	-179.7	0	0	0	0	0	115.3	K269 I270 V271 V275	K269-G273 PolarHBondContact O-N 2.78Å; I270-G273 PolarHBondContact O-N 3.44Å; V271-G273 PolarHBondContact O-N 3.47Å; G273-V275 PolarHBondContact O-N 3.38Å
274	K	95.5	Very high	97.7	Very high	170 Å²	170	71.8 Å²	71.8	74%	0.739	37%	0.369	S	S	*	.			trans	-92.5	91.2	-174.3	-70	179.8	-177.2	175	0	110.4	S272	S272-K274 PolarHBondContact O-N 2.92Å; S272-K274 VanDerWaalsContact O-N 3.15Å; S272-K274 PolarHBondContact OG-N 2.8Å
275	V	97.3	Very high	97.8	Very high	31 Å²	31	66.7 Å²	66.7	19%	0.188	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-91.1	127.6	177.4	-174.5	0	0	0	0	110.8	Y249 P257 F258 G273 F277 L293	Y249-V275 HydrophobicContact CD2-CG1 4.19Å; Y249-V275 HydrophobicContact CE2-CG1 3.82Å; P257-V275 HydrophobicContact CB-CG1 4.14Å; F258-V275 HydrophobicContact CE1-CG2 3.8Å; F258-V275 HydrophobicContact CE2-CG2 4.45Å; F258-V275 HydrophobicContact CZ-CG2 3.48Å; F258-V275 VanDerWaalsContact CZ-CG2 3.48Å; G273-V275 PolarHBondContact O-N 3.38Å; V275-F277 HydrophobicContact CB-CE1 4.47Å; V275-F277 HydrophobicContact CB-CE2 4.37Å; V275-F277 HydrophobicContact CB-CZ 4.05Å; V275-F277 HydrophobicContact CG1-CD1 4.12Å; V275-F277 HydrophobicContact CG1-CE1 3.61Å; V275-F277 HydrophobicContact CG1-CE2 4.24Å; V275-F277 HydrophobicContact CG1-CZ 3.68Å; V275-L293 HydrophobicContact CG1-CD1 4.22Å; V275-L293 HydrophobicContact CG2-CB 4.29Å; V275-L293 HydrophobicContact CG2-CD1 3.97Å
276	K	97.4	Very high	97.8	Very high	183 Å²	183	65 Å²	65	80%	0.796	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-96.1	129.7	168.6	-68.6	-176.8	179.9	179.1	0	109.3	Y249	Y249-K276 WeakPolarHBondContact CE2-O 3.49Å; Y249-K276 PolarHBondContact OH-O 2.98Å
277	F	98.4	Very high	97.9	Very high	52 Å²	52	68.2 Å²	68.2	23%	0.228	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-101.8	138.7	179.7	-61.8	-72.8	0	0	0	111.4	Y249 V275 F281 K286 L289 K290	Y249-F277 HydrophobicContact CD2-CD1 4.21Å; Y249-F277 HydrophobicContact CD2-CE1 4.26Å; Y249-F277 AromaticContact CE2-CD1 3.96Å; Y249-F277 HydrophobicContact CE2-CD1 3.96Å; Y249-F277 HydrophobicContact CE2-CE1 4.33Å; V275-F277 HydrophobicContact CB-CE1 4.47Å; V275-F277 HydrophobicContact CB-CE2 4.37Å; V275-F277 HydrophobicContact CB-CZ 4.05Å; V275-F277 HydrophobicContact CG1-CD1 4.12Å; V275-F277 HydrophobicContact CG1-CE1 3.61Å; V275-F277 HydrophobicContact CG1-CE2 4.24Å; V275-F277 HydrophobicContact CG1-CZ 3.68Å; F277-F281 HydrophobicContact CB-CD2 4.38Å; F277-F281 AromaticContact CD1-CD2 3.96Å; F277-F281 HydrophobicContact CD1-CD2 3.96Å; F277-F281 HydrophobicContact CD1-CE2 4.24Å; F277-K286 HydrophobicContact CB-CD 4.23Å; F277-K286 HydrophobicContact CB-CG 4Å; F277-K286 HydrophobicContact CD1-CG 4.24Å; F277-K286 HydrophobicContact CD2-CG 4.28Å; F277-K286 HydrophobicContact CG-CG 3.9Å; F277-L289 HydrophobicContact CD1-CD1 4.18Å; F277-L289 HydrophobicContact CE1-CB 3.68Å; F277-L289 HydrophobicContact CE1-CD1 3.84Å; F277-L289 HydrophobicContact CE1-CG 4.44Å; F277-L289 HydrophobicContact CZ-CB 4.17Å; F277-K290 HydrophobicContact CE2-CG 3.96Å; F277-K290 HydrophobicContact CZ-CG 3.94Å
278	P	98.5	Very high	97.9	Very high	12 Å²	12	65.4 Å²	65.4	8%	0.078	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-56.6	147.9	169.3	-23.2	33.1	0	0	0	112.3	A253 H280 F281 K286	A253-P278 HydrophobicContact CB-CG 3.99Å; P278-H280 WeakPolarHBondContact CB-CE1 3.5Å; P278-H280 PolarHBondContact O-N 3.33Å; P278-F281 HydrophobicContact CB-CD1 3.91Å; P278-F281 HydrophobicContact CB-CE1 4.11Å; P278-F281 HydrophobicContact CB-CG 4.42Å; P278-F281 HydrophobicContact CG-CD1 3.91Å; P278-F281 HydrophobicContact CG-CE1 3.64Å; P278-F281 HydrophobicContact CG-CE2 4.36Å; P278-F281 HydrophobicContact CG-CG 4.39Å; P278-F281 HydrophobicContact CG-CZ 3.9Å; P278-F281 PolarHBondContact O-N 3.01Å; P278-K286 WeakPolarHBondContact O-CE 3.48Å
279	S	97.9	Very high	98	Very high	115 Å²	115	59.3 Å²	59.3	80%	0.804	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-35.1	179.5	54.2	0	0	0	0	112.3	F281	S279-F281 VanDerWaalsContact C-N 3.28Å; S279-F281 PolarHBondContact O-N 2.91Å
280	H	98.4	Very high	98	Very high	83 Å²	83	60.7 Å²	60.7	38%	0.384	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-6.7	-178.3	63.8	-104.6	0	0	0	114.7	R157 P278	R157-H280 PolarHBondContact NH1-CD2 3.32Å; R157-H280 PolarHBondContact NH1-NE2 3.37Å; P278-H280 WeakPolarHBondContact CB-CE1 3.5Å; P278-H280 PolarHBondContact O-N 3.33Å
281	F	98.7	Very high	98	Very high	5 Å²	5	62.4 Å²	62.4	2%	0.022	33%	0.327	C	S	.	.	S	Bend	trans	-70.3	133.4	174.1	-82.4	20.4	0	0	0	110.4	Y249 A252 A253 F277 P278 S279 L285 K286 L289	Y249-F281 AromaticContact CD2-CE2 3.94Å; Y249-F281 HydrophobicContact CD2-CE2 3.94Å; Y249-F281 HydrophobicContact CD2-CZ 4.48Å; Y249-F281 HydrophobicContact CE2-CE2 4.19Å; Y249-F281 HydrophobicContact CG-CE2 4.33Å; Y249-F281 HydrophobicContact CG-CZ 4.5Å; A252-F281 HydrophobicContact CB-CE1 3.62Å; A252-F281 HydrophobicContact CB-CZ 3.65Å; A253-F281 HydrophobicContact CB-CE1 4.09Å; A253-F281 HydrophobicContact CB-CZ 3.81Å; F277-F281 HydrophobicContact CB-CD2 4.38Å; F277-F281 AromaticContact CD1-CD2 3.96Å; F277-F281 HydrophobicContact CD1-CD2 3.96Å; F277-F281 HydrophobicContact CD1-CE2 4.24Å; P278-F281 HydrophobicContact CB-CD1 3.91Å; P278-F281 HydrophobicContact CB-CE1 4.11Å; P278-F281 HydrophobicContact CB-CG 4.42Å; P278-F281 HydrophobicContact CG-CD1 3.91Å; P278-F281 HydrophobicContact CG-CE1 3.64Å; P278-F281 HydrophobicContact CG-CE2 4.36Å; P278-F281 HydrophobicContact CG-CG 4.39Å; P278-F281 HydrophobicContact CG-CZ 3.9Å; P278-F281 PolarHBondContact O-N 3.01Å; S279-F281 VanDerWaalsContact C-N 3.28Å; S279-F281 PolarHBondContact O-N 2.91Å; F281-L285 HydrophobicContact CB-CD2 4.14Å; F281-L285 HydrophobicContact CD1-CD2 3.86Å; F281-L285 HydrophobicContact CD2-CD2 3.57Å; F281-L285 HydrophobicContact CD2-CG 3.85Å; F281-L285 HydrophobicContact CE1-CD2 4.11Å; F281-L285 HydrophobicContact CE2-CD2 3.83Å; F281-L285 HydrophobicContact CE2-CG 4.25Å; F281-L285 HydrophobicContact CG-CD2 3.58Å; F281-L285 HydrophobicContact CG-CG 4.21Å; F281-L285 HydrophobicContact CZ-CD2 4.08Å; F281-K286 HydrophobicContact CB-CD 4.34Å; F281-K286 HydrophobicContact CB-CG 3.92Å; F281-K286 WeakPolarHBondContact O-CE 3.21Å; F281-K286 PolarHBondContact O-NZ 2.81Å; F281-L289 HydrophobicContact CD2-CD1 3.96Å; F281-L289 HydrophobicContact CE2-CD1 3.58Å
282	S	98.7	Very high	98.1	Very high	32 Å²	32	60 Å²	60	22%	0.224	31%	0.313	C	S	.	.			trans	-60.6	158.7	171.5	70.1	0	0	0	0	111.7	E160 E284 L285 K286	E160-S282 VanDerWaalsContact CD-OG 3.31Å; E160-S282 VanDerWaalsContact OE1-CB 3.29Å; E160-S282 WeakPolarHBondContact OE1-CB 3.49Å; E160-S282 PolarHBondContact OE1-N 3.46Å; E160-S282 PolarHBondContact OE1-OG 2.87Å; E160-S282 WeakPolarHBondContact OE2-CB 3.42Å; E160-S282 PolarHBondContact OE2-OG 2.77Å; S282-E284 VanDerWaalsContact C-N 3.27Å; S282-E284 PolarHBondContact O-N 2.87Å; S282-L285 PolarHBondContact O-N 3.46Å; S282-L285 VanDerWaalsContact OG-CB 3.27Å; S282-L285 WeakPolarHBondContact OG-CB 3.45Å; S282-L285 PolarHBondContact OG-N 2.87Å; S282-K286 WeakPolarHBondContact O-CG 3.29Å; S282-K286 PolarHBondContact O-N 2.49Å
283	N	98.6	Very high	98.2	Very high	124 Å²	124	57.5 Å²	57.5	66%	0.663	29%	0.294	S	S	*	.	H	α-helix	trans	-65.6	-37.1	176.9	-71.9	-28.8	0	0	0	110.8	K286 D287	N283-K286 PolarHBondContact O-N 2.82Å; N283-D287 VanDerWaalsContact O-CB 3.32Å; N283-D287 WeakPolarHBondContact O-CB 3.47Å; N283-D287 PolarHBondContact O-N 2.86Å
284	E	98.7	Very high	98.4	Very high	86 Å²	86	58.8 Å²	58.8	40%	0.402	29%	0.293	S	S	.	.	H	α-helix	trans	-63.4	-42	175.6	-65.1	73.9	-165.5	0	0	111.4	S282 D287 L288 H314 K315 W316	S282-E284 VanDerWaalsContact C-N 3.27Å; S282-E284 PolarHBondContact O-N 2.87Å; E284-D287 PolarHBondContact O-N 3.31Å; E284-L288 PolarHBondContact O-N 2.91Å; E284-H314 PolarHBondContact O-CE1 3.33Å; E284-K315 HydrophobicContact CG-CB 3.92Å; E284-W316 HydrophobicContact CB-CB 4.03Å; E284-W316 HydrophobicContact CB-CG 4.47Å
285	L	98.9	Very high	98.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.4	-47.4	176	178	54.8	0	0	0	111.2	E160 I248 A252 F281 S282 D287 L288 L289 W316	E160-L285 HydrophobicContact CG-CD2 3.84Å; I248-L285 HydrophobicContact CG2-CD1 3.52Å; A252-L285 HydrophobicContact CB-CD2 3.87Å; F281-L285 HydrophobicContact CB-CD2 4.14Å; F281-L285 HydrophobicContact CD1-CD2 3.86Å; F281-L285 HydrophobicContact CD2-CD2 3.57Å; F281-L285 HydrophobicContact CD2-CG 3.85Å; F281-L285 HydrophobicContact CE1-CD2 4.11Å; F281-L285 HydrophobicContact CE2-CD2 3.83Å; F281-L285 HydrophobicContact CE2-CG 4.25Å; F281-L285 HydrophobicContact CG-CD2 3.58Å; F281-L285 HydrophobicContact CG-CG 4.21Å; F281-L285 HydrophobicContact CZ-CD2 4.08Å; S282-L285 PolarHBondContact O-N 3.46Å; S282-L285 VanDerWaalsContact OG-CB 3.27Å; S282-L285 WeakPolarHBondContact OG-CB 3.45Å; S282-L285 PolarHBondContact OG-N 2.87Å; L285-D287 VanDerWaalsContact C-N 3.27Å; L285-D287 PolarHBondContact O-N 3.27Å; L285-L288 PolarHBondContact O-N 2.83Å; L285-L289 HydrophobicContact CD1-CD1 3.74Å; L285-L289 HydrophobicContact CD1-CG 3.88Å; L285-L289 HydrophobicContact CG-CD1 3.86Å; L285-L289 HydrophobicContact CG-CG 4.4Å; L285-L289 WeakPolarHBondContact O-CB 3.41Å; L285-L289 VanDerWaalsContact O-CG 3.3Å; L285-L289 WeakPolarHBondContact O-CG 3.42Å; L285-L289 PolarHBondContact O-N 3.31Å; L285-W316 HydrophobicContact CD1-CD2 4.32Å; L285-W316 HydrophobicContact CD1-CZ2 3.91Å
286	K	98.8	Very high	98.4	Very high	46 Å²	46	54.2 Å²	54.2	20%	0.2	28%	0.277	C	S	.	.	H	α-helix	trans	-58.4	-41.3	177.3	-70.2	171.3	-174.3	159.9	0	111.5	F277 P278 F281 S282 N283 K290	F277-K286 HydrophobicContact CB-CD 4.23Å; F277-K286 HydrophobicContact CB-CG 4Å; F277-K286 HydrophobicContact CD1-CG 4.24Å; F277-K286 HydrophobicContact CD2-CG 4.28Å; F277-K286 HydrophobicContact CG-CG 3.9Å; P278-K286 WeakPolarHBondContact O-CE 3.48Å; F281-K286 HydrophobicContact CB-CD 4.34Å; F281-K286 HydrophobicContact CB-CG 3.92Å; F281-K286 WeakPolarHBondContact O-CE 3.21Å; F281-K286 PolarHBondContact O-NZ 2.81Å; S282-K286 WeakPolarHBondContact O-CG 3.29Å; S282-K286 PolarHBondContact O-N 2.49Å; N283-K286 PolarHBondContact O-N 2.82Å; K286-K290 WeakPolarHBondContact O-CB 3.37Å; K286-K290 VanDerWaalsContact O-CG 3.23Å; K286-K290 WeakPolarHBondContact O-CG 3.34Å; K286-K290 PolarHBondContact O-N 2.95Å
287	D	98.8	Very high	98.3	Very high	73 Å²	73	47.7 Å²	47.7	39%	0.39	25%	0.251	S	S	.	.	H	α-helix	trans	-65.4	-46.7	178.8	-166.4	47.7	0	0	0	111.8	N283 E284 L285 L289 K290 N291 H314	N283-D287 VanDerWaalsContact O-CB 3.32Å; N283-D287 WeakPolarHBondContact O-CB 3.47Å; N283-D287 PolarHBondContact O-N 2.86Å; E284-D287 PolarHBondContact O-N 3.31Å; L285-D287 VanDerWaalsContact C-N 3.27Å; L285-D287 PolarHBondContact O-N 3.27Å; D287-L289 PolarHBondContact O-N 3.41Å; D287-K290 PolarHBondContact O-N 2.89Å; D287-N291 PolarHBondContact O-N 3.48Å; D287-N291 PolarHBondContact O-ND2 2.86Å; D287-H314 IonicContact OD2-CE1 3.98Å; D287-H314 IonicContact OD2-NE2 3.14Å; D287-H314 PolarHBondContact OD2-NE2 3.29Å; D287-H314 VanDerWaalsContact OD2-NE2 3.14Å
288	L	98.9	Very high	98.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-57.4	-50.1	175	179.5	59.9	0	0	0	111.2	I248 E284 L285 K290 N291 L292 H314 W316 F317	I248-L288 HydrophobicContact CD1-CD2 4.11Å; E284-L288 PolarHBondContact O-N 2.91Å; L285-L288 PolarHBondContact O-N 2.83Å; L288-K290 VanDerWaalsContact C-N 3.34Å; L288-K290 PolarHBondContact O-N 3.21Å; L288-N291 PolarHBondContact O-N 3.24Å; L288-L292 HydrophobicContact CD1-CD1 3.95Å; L288-L292 HydrophobicContact CD1-CG 4.17Å; L288-L292 HydrophobicContact CD2-CD1 4.4Å; L288-L292 HydrophobicContact CG-CD1 3.87Å; L288-L292 HydrophobicContact CG-CG 4.42Å; L288-L292 PolarHBondContact O-N 3.44Å; L288-H314 HydrophobicContact CD1-CB 4.11Å; L288-H314 PolarHBondContact N-CE1 2.73Å; L288-W316 HydrophobicContact CB-CB 4.34Å; L288-W316 HydrophobicContact CD2-CB 4.13Å; L288-W316 HydrophobicContact CD2-CD2 3.99Å; L288-W316 HydrophobicContact CD2-CE3 3.47Å; L288-W316 VanDerWaalsContact CD2-CE3 3.47Å; L288-W316 HydrophobicContact CD2-CG 4.29Å; L288-W316 HydrophobicContact CD2-CZ3 4.13Å; L288-F317 HydrophobicContact CD2-CD2 4.2Å; L288-F317 HydrophobicContact CD2-CE2 3.7Å; L288-F317 HydrophobicContact CD2-CZ 4.49Å
289	L	98.9	Very high	98.2	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.3	-36.7	-176.9	-70.7	174.6	0	0	0	112.4	G245 I248 Y249 F277 F281 L285 D287 N291 L292 L293	G245-L289 WeakPolarHBondContact O-CD2 3.39Å; I248-L289 HydrophobicContact CB-CD2 3.96Å; I248-L289 HydrophobicContact CG2-CD2 3.86Å; I248-L289 HydrophobicContact CG2-CG 4.48Å; Y249-L289 HydrophobicContact CD2-CD1 4.05Å; F277-L289 HydrophobicContact CD1-CD1 4.18Å; F277-L289 HydrophobicContact CE1-CB 3.68Å; F277-L289 HydrophobicContact CE1-CD1 3.84Å; F277-L289 HydrophobicContact CE1-CG 4.44Å; F277-L289 HydrophobicContact CZ-CB 4.17Å; F281-L289 HydrophobicContact CD2-CD1 3.96Å; F281-L289 HydrophobicContact CE2-CD1 3.58Å; L285-L289 HydrophobicContact CD1-CD1 3.74Å; L285-L289 HydrophobicContact CD1-CG 3.88Å; L285-L289 HydrophobicContact CG-CD1 3.86Å; L285-L289 HydrophobicContact CG-CG 4.4Å; L285-L289 WeakPolarHBondContact O-CB 3.41Å; L285-L289 VanDerWaalsContact O-CG 3.3Å; L285-L289 WeakPolarHBondContact O-CG 3.42Å; L285-L289 PolarHBondContact O-N 3.31Å; D287-L289 PolarHBondContact O-N 3.41Å; L289-N291 PolarHBondContact O-N 3.01Å; L289-L292 PolarHBondContact O-N 2.67Å; L289-L293 WeakPolarHBondContact O-CA 3.36Å; L289-L293 VanDerWaalsContact O-CB 3.23Å; L289-L293 WeakPolarHBondContact O-CB 3.33Å; L289-L293 PolarHBondContact O-N 2.94Å
290	K	98.6	Very high	98.3	Very high	121 Å²	121	49.7 Å²	49.7	53%	0.526	25%	0.252	S	S	.	.	H	α-helix	trans	-61.4	-31.2	173.2	-77.5	171.5	-179	-179.4	0	112.9	F277 K286 D287 L288	F277-K290 HydrophobicContact CE2-CG 3.96Å; F277-K290 HydrophobicContact CZ-CG 3.94Å; K286-K290 WeakPolarHBondContact O-CB 3.37Å; K286-K290 VanDerWaalsContact O-CG 3.23Å; K286-K290 WeakPolarHBondContact O-CG 3.34Å; K286-K290 PolarHBondContact O-N 2.95Å; D287-K290 PolarHBondContact O-N 2.89Å; L288-K290 VanDerWaalsContact C-N 3.34Å; L288-K290 PolarHBondContact O-N 3.21Å
291	N	98.7	Very high	98.3	Very high	36 Å²	36	47.9 Å²	47.9	19%	0.193	24%	0.243	C	C	.	.	H	α-helix	trans	-86.4	-26.3	179.9	-74.9	-69.9	0	0	0	113.3	D287 L288 L289 R300 Y301	D287-N291 PolarHBondContact O-N 3.48Å; D287-N291 PolarHBondContact O-ND2 2.86Å; L288-N291 PolarHBondContact O-N 3.24Å; L289-N291 PolarHBondContact O-N 3.01Å; N291-R300 WeakPolarHBondContact O-CA 3.42Å; N291-Y301 HydrophobicContact CB-CD1 3.53Å; N291-Y301 HydrophobicContact CB-CD2 3.82Å; N291-Y301 HydrophobicContact CB-CE1 3.64Å; N291-Y301 HydrophobicContact CB-CE2 3.95Å; N291-Y301 HydrophobicContact CB-CG 3.61Å; N291-Y301 VanDerWaalsContact CG-CE1 3.47Å; N291-Y301 PolarHBondContact O-N 3.25Å; N291-Y301 VanDerWaalsContact OD1-CE1 3.3Å; N291-Y301 WeakPolarHBondContact OD1-CE1 3.44Å
292	L	98.8	Very high	98.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-83.7	-47.2	173	-68.8	173.8	0	0	0	112.4	W241 L244 I248 L288 L289 Q294 R300 I311	W241-L292 HydrophobicContact CB-CD2 4.38Å; L244-L292 HydrophobicContact CD2-CD1 4.35Å; L244-L292 HydrophobicContact CG-CD1 4.32Å; I248-L292 HydrophobicContact CD1-CD1 3.97Å; L288-L292 HydrophobicContact CD1-CD1 3.95Å; L288-L292 HydrophobicContact CD1-CG 4.17Å; L288-L292 HydrophobicContact CD2-CD1 4.4Å; L288-L292 HydrophobicContact CG-CD1 3.87Å; L288-L292 HydrophobicContact CG-CG 4.42Å; L288-L292 PolarHBondContact O-N 3.44Å; L289-L292 PolarHBondContact O-N 2.67Å; L292-Q294 PolarHBondContact O-N 3Å; L292-R300 WeakPolarHBondContact O-CD 3.49Å; L292-R300 WeakPolarHBondContact O-CG 3.46Å; L292-I311 HydrophobicContact CD2-CD1 3.77Å; L292-I311 HydrophobicContact CD2-CG1 4.05Å
293	L	98.8	Very high	98.2	Very high	10 Å²	10	48.6 Å²	48.6	5%	0.052	25%	0.245	C	C	.	.	S	Bend	trans	-80.8	41.3	176.5	-57.9	177.5	0	0	0	111.5	W242 V246 P257 V275 L289	W242-L293 HydrophobicContact CD2-CD2 4.09Å; W242-L293 HydrophobicContact CE3-CD2 4.39Å; W242-L293 HydrophobicContact CH2-CB 4.4Å; W242-L293 HydrophobicContact CZ2-CD2 4.25Å; W242-L293 HydrophobicContact CZ3-CB 4.23Å; W242-L293 WeakPolarHBondContact CZ3-O 3.3Å; V246-L293 HydrophobicContact CG2-CD2 3.72Å; P257-L293 HydrophobicContact CB-CD1 4.29Å; P257-L293 HydrophobicContact CG-CD1 4.19Å; V275-L293 HydrophobicContact CG1-CD1 4.22Å; V275-L293 HydrophobicContact CG2-CB 4.29Å; V275-L293 HydrophobicContact CG2-CD1 3.97Å; L289-L293 WeakPolarHBondContact O-CA 3.36Å; L289-L293 VanDerWaalsContact O-CB 3.23Å; L289-L293 WeakPolarHBondContact O-CB 3.33Å; L289-L293 PolarHBondContact O-N 2.94Å
294	Q	98.4	Very high	98.1	Very high	55 Å²	55	45.4 Å²	45.4	26%	0.257	23%	0.228	S	C	.	.			trans	-92.7	118.1	-179.4	178.6	52.1	-101.6	0	0	109.9	L292 D296 K299 R300	L292-Q294 PolarHBondContact O-N 3Å; Q294-D296 VanDerWaalsContact C-N 3.32Å; Q294-D296 HydrophobicContact CG-CB 4.34Å; Q294-D296 VanDerWaalsContact CG-O 3.3Å; Q294-D296 WeakPolarHBondContact CG-O 3.36Å; Q294-D296 PolarHBondContact O-N 3.36Å; Q294-K299 HydrophobicContact CG-CB 3.72Å; Q294-R300 HydrophobicContact CB-CB 4.11Å; Q294-R300 HydrophobicContact CB-CG 4.27Å; Q294-R300 HydrophobicContact CG-CB 4.46Å; Q294-R300 VanDerWaalsContact O-CZ 3.27Å; Q294-R300 PolarHBondContact O-NE 2.88Å; Q294-R300 PolarHBondContact O-NH2 2.77Å
295	V	97.9	Very high	98	Very high	51 Å²	51	51.3 Å²	51.3	31%	0.309	25%	0.252	S	S	.	.	S	Bend	trans	-65.6	-37.9	179.3	179.4	0	0	0	0	111	P227 W242 L297	P227-V295 HydrophobicContact CB-CG1 4.04Å; P227-V295 HydrophobicContact CG-CB 4.38Å; P227-V295 HydrophobicContact CG-CG1 4.16Å; P227-V295 HydrophobicContact CG-CG2 4.05Å; W242-V295 HydrophobicContact CH2-CG2 4.39Å; W242-V295 HydrophobicContact CZ3-CG2 4.31Å; V295-L297 PolarHBondContact O-N 2.95Å
296	D	96.9	Very high	97.9	Very high	54 Å²	54	56.2 Å²	56.2	29%	0.289	28%	0.279	S	S	.	.	S	Bend	trans	-76	102.8	176.1	-176	-8.4	0	0	0	111.1	Q294 T298 K299 R300	Q294-D296 VanDerWaalsContact C-N 3.32Å; Q294-D296 HydrophobicContact CG-CB 4.34Å; Q294-D296 VanDerWaalsContact CG-O 3.3Å; Q294-D296 WeakPolarHBondContact CG-O 3.36Å; Q294-D296 PolarHBondContact O-N 3.36Å; D296-T298 VanDerWaalsContact CG-OG1 3.25Å; D296-T298 PolarHBondContact O-N 3.39Å; D296-T298 WeakPolarHBondContact OD1-CB 3.44Å; D296-T298 PolarHBondContact OD1-N 3.47Å; D296-T298 PolarHBondContact OD1-OG1 3.35Å; D296-T298 PolarHBondContact OD2-OG1 3.28Å; D296-K299 HydrophobicContact CB-CB 4.47Å; D296-K299 HydrophobicContact CB-CD 4.28Å; D296-K299 PolarHBondContact O-N 2.85Å; D296-K299 WeakPolarHBondContact OD2-CD 3.33Å; D296-K299 VanDerWaalsContact OD2-CE 3.23Å; D296-K299 WeakPolarHBondContact OD2-CE 3.38Å; D296-K299 IonicContact OD2-NZ 3.82Å; D296-K299 PolarHBondContact OD2-NZ 2.9Å; D296-R300 PolarHBondContact O-N 3.1Å
297	L	95.2	Very high	97.7	Very high	46 Å²	46	55 Å²	55	24%	0.241	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-27.8	178.8	-78.2	174.3	0	0	0	114.4	E228 A238 V295 K299 N303	E228-L297 HydrophobicContact CB-CD1 4.29Å; E228-L297 HydrophobicContact CG-CD1 4.22Å; E228-L297 WeakPolarHBondContact OE1-CD2 3.35Å; A238-L297 HydrophobicContact CB-CD2 3.6Å; V295-L297 PolarHBondContact O-N 2.95Å; L297-K299 PolarHBondContact O-N 3.11Å; L297-N303 PolarHBondContact O-ND2 3.4Å
298	T	96.1	Very high	97.7	Very high	105 Å²	105	52.8 Å²	52.8	64%	0.644	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-9.9	179.9	70.8	0	0	0	0	113.2	D296 L304	D296-T298 VanDerWaalsContact CG-OG1 3.25Å; D296-T298 PolarHBondContact O-N 3.39Å; D296-T298 WeakPolarHBondContact OD1-CB 3.44Å; D296-T298 PolarHBondContact OD1-N 3.47Å; D296-T298 PolarHBondContact OD1-OG1 3.35Å; D296-T298 PolarHBondContact OD2-OG1 3.28Å; T298-L304 WeakPolarHBondContact O-CD2 3.43Å
299	K	98.1	Very high	97.6	Very high	116 Å²	116	54.1 Å²	54.1	50%	0.504	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-4.9	-179.5	-64.7	174.1	-171.6	142	0	113	Q294 D296 L297	Q294-K299 HydrophobicContact CG-CB 3.72Å; D296-K299 HydrophobicContact CB-CB 4.47Å; D296-K299 HydrophobicContact CB-CD 4.28Å; D296-K299 PolarHBondContact O-N 2.85Å; D296-K299 WeakPolarHBondContact OD2-CD 3.33Å; D296-K299 VanDerWaalsContact OD2-CE 3.23Å; D296-K299 WeakPolarHBondContact OD2-CE 3.38Å; D296-K299 IonicContact OD2-NZ 3.82Å; D296-K299 PolarHBondContact OD2-NZ 2.9Å; L297-K299 PolarHBondContact O-N 3.11Å
300	R	98.6	Very high	97.6	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.286	C	S	.	.			trans	-74.8	127.5	-177.6	-166.6	180	-60.5	159.4	4.6	111.2	E228 A238 N291 L292 Q294 D296 N303 L304	E228-R300 IonicContact OE1-CZ 2.81Å; E228-R300 IonicContact OE1-NH1 2.87Å; E228-R300 PolarHBondContact OE1-NH1 2.91Å; E228-R300 IonicContact OE1-NH2 3.64Å; E228-R300 IonicContact OE2-CZ 3.74Å; E228-R300 IonicContact OE2-NH1 2.68Å; E228-R300 PolarHBondContact OE2-NH1 2.92Å; E228-R300 IonicContact OE2-NH2 2.8Å; E228-R300 PolarHBondContact OE2-NH2 2.83Å; A238-R300 PolarHBondContact O-NH1 2.73Å; N291-R300 WeakPolarHBondContact O-CA 3.42Å; L292-R300 WeakPolarHBondContact O-CD 3.49Å; L292-R300 WeakPolarHBondContact O-CG 3.46Å; Q294-R300 HydrophobicContact CB-CB 4.11Å; Q294-R300 HydrophobicContact CB-CG 4.27Å; Q294-R300 HydrophobicContact CG-CB 4.46Å; Q294-R300 VanDerWaalsContact O-CZ 3.27Å; Q294-R300 PolarHBondContact O-NE 2.88Å; Q294-R300 PolarHBondContact O-NH2 2.77Å; D296-R300 PolarHBondContact O-N 3.1Å; R300-N303 PolarHBondContact O-N 3.02Å; R300-N303 VanDerWaalsContact O-N 3.13Å; R300-L304 WeakPolarHBondContact O-CG 3.42Å
301	Y	98.6	Very high	97.6	Very high	46 Å²	46	49.8 Å²	49.8	18%	0.18	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	146.7	173.9	-86.2	25.1	0	0	0	111.6	N291 N303 L304 D310 I311 H314	N291-Y301 HydrophobicContact CB-CD1 3.53Å; N291-Y301 HydrophobicContact CB-CD2 3.82Å; N291-Y301 HydrophobicContact CB-CE1 3.64Å; N291-Y301 HydrophobicContact CB-CE2 3.95Å; N291-Y301 HydrophobicContact CB-CG 3.61Å; N291-Y301 VanDerWaalsContact CG-CE1 3.47Å; N291-Y301 PolarHBondContact O-N 3.25Å; N291-Y301 VanDerWaalsContact OD1-CE1 3.3Å; N291-Y301 WeakPolarHBondContact OD1-CE1 3.44Å; Y301-N303 PolarHBondContact O-N 2.88Å; Y301-L304 HydrophobicContact CD1-CD1 3.9Å; Y301-L304 HydrophobicContact CE1-CD1 4.15Å; Y301-D310 HydrophobicContact CD1-CB 4.27Å; Y301-D310 HydrophobicContact CD2-CB 3.95Å; Y301-D310 WeakPolarHBondContact CD2-O 3.25Å; Y301-D310 HydrophobicContact CE1-CB 4.49Å; Y301-D310 HydrophobicContact CE2-CB 4.16Å; Y301-D310 WeakPolarHBondContact CE2-O 3.14Å; Y301-D310 HydrophobicContact CG-CB 4.01Å; Y301-I311 HydrophobicContact CD2-CG1 4.39Å; Y301-H314 AromaticContact CE2-CD2 3.84Å
302	G	98.2	Very high	97.5	Very high	5 Å²	5	48.8 Å²	48.8	5%	0.052	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	-18.7	-171	0	0	0	0	0	114.2	W241 G307	W241-G302 PolarHBondContact NE1-O 2.92Å; G302-G307 VanDerWaalsContact CA-O 3.32Å; G302-G307 WeakPolarHBondContact CA-O 3.23Å; G302-G307 PolarHBondContact N-O 3.26Å
303	N	97.7	Very high	97.5	Very high	47 Å²	47	53.3 Å²	53.3	25%	0.251	28%	0.28	S	S	.	.	S	Bend	trans	-114.3	5	178.6	-165.9	57.9	0	0	0	113.7	N236 A238 L297 R300 Y301	N236-N303 PolarHBondContact ND2-OD1 2.93Å; A238-N303 HydrophobicContact CB-CB 3.81Å; L297-N303 PolarHBondContact O-ND2 3.4Å; R300-N303 PolarHBondContact O-N 3.02Å; R300-N303 VanDerWaalsContact O-N 3.13Å; Y301-N303 PolarHBondContact O-N 2.88Å
304	L	97.3	Very high	97.5	Very high	56 Å²	56	53.4 Å²	53.4	29%	0.293	28%	0.28	S	S	.	.	S	Bend	trans	-85.9	-178.7	175.1	-50.8	-175.4	0	0	0	111.3	T298 R300 Y301 N306 G307 D310	T298-L304 WeakPolarHBondContact O-CD2 3.43Å; R300-L304 WeakPolarHBondContact O-CG 3.42Å; Y301-L304 HydrophobicContact CD1-CD1 3.9Å; Y301-L304 HydrophobicContact CE1-CD1 4.15Å; L304-N306 VanDerWaalsContact C-N 3.27Å; L304-N306 PolarHBondContact O-N 3.21Å; L304-G307 PolarHBondContact O-N 2.93Å; L304-D310 WeakPolarHBondContact CB-OD2 3.29Å
305	K	96.5	Very high	97.5	Very high	210 Å²	210	57.9 Å²	57.9	91%	0.913	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-37.2	179.7	-173.4	179.3	177.5	-177.3	0	113.5	G307	K305-G307 VanDerWaalsContact C-N 3.3Å
306	N	95.5	Very high	97.5	Very high	104 Å²	104	55.6 Å²	55.6	56%	0.556	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-2.8	178.7	-50.1	-39.6	0	0	0	112.8	L304 V308 A309 D310	L304-N306 VanDerWaalsContact C-N 3.27Å; L304-N306 PolarHBondContact O-N 3.21Å; N306-V308 PolarHBondContact O-N 2.85Å; N306-A309 HydrophobicContact CB-CB 4.25Å; N306-A309 VanDerWaalsContact O-CB 3.28Å; N306-A309 WeakPolarHBondContact O-CB 3.44Å; N306-A309 PolarHBondContact O-N 2.94Å; N306-A309 VanDerWaalsContact O-N 3.12Å; N306-D310 WeakPolarHBondContact CB-OD1 2.95Å; N306-D310 PolarHBondContact ND2-OD1 2.91Å
307	G	96.4	Very high	97.6	Very high	19 Å²	19	53.1 Å²	53.1	20%	0.196	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	-128.7	178.2	0	0	0	0	0	113	G302 L304 K305 A309 D310	G302-G307 VanDerWaalsContact CA-O 3.32Å; G302-G307 WeakPolarHBondContact CA-O 3.23Å; G302-G307 PolarHBondContact N-O 3.26Å; L304-G307 PolarHBondContact O-N 2.93Å; K305-G307 VanDerWaalsContact C-N 3.3Å; G307-A309 PolarHBondContact O-N 3.03Å; G307-D310 PolarHBondContact O-N 3Å
308	V	97.4	Very high	97.7	Very high	27 Å²	27	52.4 Å²	52.4	16%	0.164	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-21	-179	68.8	0	0	0	0	113.3	V171 E175 W241 N306 D310 I311 K312	V171-V308 HydrophobicContact CG1-CG2 3.73Å; E175-V308 HydrophobicContact CB-CG2 4.31Å; E175-V308 HydrophobicContact CG-CG1 4Å; E175-V308 VanDerWaalsContact OE1-CG1 3.31Å; E175-V308 WeakPolarHBondContact OE1-CG1 3.33Å; W241-V308 HydrophobicContact CH2-CB 4.22Å; W241-V308 HydrophobicContact CH2-CG2 3.54Å; W241-V308 HydrophobicContact CZ2-CB 4.09Å; W241-V308 HydrophobicContact CZ2-CG2 3.92Å; W241-V308 HydrophobicContact CZ3-CG2 4.37Å; N306-V308 PolarHBondContact O-N 2.85Å; V308-D310 PolarHBondContact O-N 3.47Å; V308-I311 WeakPolarHBondContact O-CB 3.45Å; V308-I311 PolarHBondContact O-N 3.41Å; V308-K312 HydrophobicContact CG1-CD 4.36Å; V308-K312 HydrophobicContact CG2-CD 4.01Å; V308-K312 HydrophobicContact CG2-CG 4.16Å; V308-K312 PolarHBondContact O-N 3.38Å
309	A	97	Very high	97.7	Very high	28 Å²	28	51.4 Å²	51.4	23%	0.231	27%	0.272	C	S	.	.	H	α-helix	trans	-64.3	-29.3	179.5	0	0	0	0	0	112.4	N306 G307 I311 K312 N313	N306-A309 HydrophobicContact CB-CB 4.25Å; N306-A309 VanDerWaalsContact O-CB 3.28Å; N306-A309 WeakPolarHBondContact O-CB 3.44Å; N306-A309 PolarHBondContact O-N 2.94Å; N306-A309 VanDerWaalsContact O-N 3.12Å; G307-A309 PolarHBondContact O-N 3.03Å; A309-I311 PolarHBondContact O-N 2.95Å; A309-K312 PolarHBondContact O-N 2.86Å; A309-N313 VanDerWaalsContact O-CB 3.23Å; A309-N313 WeakPolarHBondContact O-CB 3.34Å; A309-N313 PolarHBondContact O-N 2.83Å; A309-N313 PolarHBondContact O-ND2 3.47Å; A309-N313 VanDerWaalsContact O-ND2 3.11Å
310	D	98.1	Very high	97.7	Very high	30 Å²	30	46.4 Å²	46.4	16%	0.16	25%	0.251	C	S	.	.	H	α-helix	trans	-63.8	-31.2	173.9	-67.3	-39.1	0	0	0	111.6	Y301 L304 N306 G307 V308	Y301-D310 HydrophobicContact CD1-CB 4.27Å; Y301-D310 HydrophobicContact CD2-CB 3.95Å; Y301-D310 WeakPolarHBondContact CD2-O 3.25Å; Y301-D310 HydrophobicContact CE1-CB 4.49Å; Y301-D310 HydrophobicContact CE2-CB 4.16Å; Y301-D310 WeakPolarHBondContact CE2-O 3.14Å; Y301-D310 HydrophobicContact CG-CB 4.01Å; L304-D310 WeakPolarHBondContact CB-OD2 3.29Å; N306-D310 WeakPolarHBondContact CB-OD1 2.95Å; N306-D310 PolarHBondContact ND2-OD1 2.91Å; G307-D310 PolarHBondContact O-N 3Å; V308-D310 PolarHBondContact O-N 3.47Å
311	I	98.7	Very high	97.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-78.4	-51.5	174.9	-56.4	172.1	0	0	0	109.8	V171 W241 L292 Y301 V308 A309 N313 H314 F317	V171-I311 HydrophobicContact CG1-CG2 4.47Å; V171-I311 HydrophobicContact CG2-CG2 3.8Å; W241-I311 HydrophobicContact CD2-CD1 3.61Å; W241-I311 HydrophobicContact CE3-CD1 3.27Å; W241-I311 HydrophobicContact CG-CD1 4.22Å; W241-I311 HydrophobicContact CH2-CD1 4.24Å; W241-I311 HydrophobicContact CZ3-CD1 3.62Å; L292-I311 HydrophobicContact CD2-CD1 3.77Å; L292-I311 HydrophobicContact CD2-CG1 4.05Å; Y301-I311 HydrophobicContact CD2-CG1 4.39Å; V308-I311 WeakPolarHBondContact O-CB 3.45Å; V308-I311 PolarHBondContact O-N 3.41Å; A309-I311 PolarHBondContact O-N 2.95Å; I311-N313 VanDerWaalsContact C-N 3.28Å; I311-N313 PolarHBondContact O-N 2.89Å; I311-H314 VanDerWaalsContact O-CB 3.25Å; I311-H314 WeakPolarHBondContact O-CB 3.36Å; I311-H314 PolarHBondContact O-N 3.49Å; I311-H314 VanDerWaalsContact O-N 3.12Å; I311-F317 HydrophobicContact CG2-CD2 4.28Å; I311-F317 HydrophobicContact CG2-CE2 3.75Å; I311-F317 VanDerWaalsContact O-CD2 3.3Å; I311-F317 WeakPolarHBondContact O-CD2 3.3Å
312	K	98.3	Very high	97.5	Very high	16 Å²	16	46.7 Å²	46.7	7%	0.07	26%	0.255	C	S	.	.	H	α-helix	trans	-62.6	-33.6	-174.8	-70.2	173.7	73.8	170.9	0	113.4	Y31 V171 E175 V308 A309 W322	Y31-K312 PolarHBondContact OH-NZ 2.86Å; V171-K312 HydrophobicContact CG1-CD 4.24Å; V171-K312 HydrophobicContact CG1-CG 3.73Å; E175-K312 IonicContact OE1-NZ 2.66Å; E175-K312 PolarHBondContact OE1-NZ 3.41Å; E175-K312 IonicContact OE2-NZ 2.82Å; E175-K312 PolarHBondContact OE2-NZ 3.27Å; V308-K312 HydrophobicContact CG1-CD 4.36Å; V308-K312 HydrophobicContact CG2-CD 4.01Å; V308-K312 HydrophobicContact CG2-CG 4.16Å; V308-K312 PolarHBondContact O-N 3.38Å; A309-K312 PolarHBondContact O-N 2.86Å; K312-W322 VanDerWaalsContact CA-CZ2 3.45Å; K312-W322 HydrophobicContact CB-CD2 4.45Å; K312-W322 HydrophobicContact CB-CH2 4.42Å; K312-W322 HydrophobicContact CB-CZ2 3.75Å; K312-W322 HydrophobicContact CD-CD2 4.44Å; K312-W322 HydrophobicContact CG-CD2 4.09Å; K312-W322 HydrophobicContact CG-CE3 4.28Å; K312-W322 HydrophobicContact CG-CH2 3.87Å; K312-W322 HydrophobicContact CG-CZ2 3.67Å; K312-W322 HydrophobicContact CG-CZ3 4.15Å; K312-W322 PolarHBondContact O-NE1 2.8Å
313	N	97.6	Very high	97.4	Very high	95 Å²	95	49.1 Å²	49.1	51%	0.508	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-2	180	-64.3	-40	0	0	0	113.7	A309 I311	A309-N313 VanDerWaalsContact O-CB 3.23Å; A309-N313 WeakPolarHBondContact O-CB 3.34Å; A309-N313 PolarHBondContact O-N 2.83Å; A309-N313 PolarHBondContact O-ND2 3.47Å; A309-N313 VanDerWaalsContact O-ND2 3.11Å; I311-N313 VanDerWaalsContact C-N 3.28Å; I311-N313 PolarHBondContact O-N 2.89Å
314	H	98.7	Very high	97.4	Very high	12 Å²	12	47.5 Å²	47.5	6%	0.056	26%	0.26	C	S	.	.	S	Bend	trans	-61.5	143.7	178.5	-171.8	-92	0	0	0	111	E284 D287 L288 Y301 I311 W316 F317 G318	E284-H314 PolarHBondContact O-CE1 3.33Å; D287-H314 IonicContact OD2-CE1 3.98Å; D287-H314 IonicContact OD2-NE2 3.14Å; D287-H314 PolarHBondContact OD2-NE2 3.29Å; D287-H314 VanDerWaalsContact OD2-NE2 3.14Å; L288-H314 HydrophobicContact CD1-CB 4.11Å; L288-H314 PolarHBondContact N-CE1 2.73Å; Y301-H314 AromaticContact CE2-CD2 3.84Å; I311-H314 VanDerWaalsContact O-CB 3.25Å; I311-H314 WeakPolarHBondContact O-CB 3.36Å; I311-H314 PolarHBondContact O-N 3.49Å; I311-H314 VanDerWaalsContact O-N 3.12Å; H314-W316 WeakPolarHBondContact ND1-CB 3.3Å; H314-W316 PolarHBondContact ND1-N 3.3Å; H314-W316 VanDerWaalsContact ND1-N 3.12Å; H314-W316 PolarHBondContact O-N 3.41Å; H314-W316 VanDerWaalsContact O-N 3.09Å; H314-F317 WeakPolarHBondContact O-CA 3.46Å; H314-F317 PolarHBondContact O-N 3.46Å; H314-G318 PolarHBondContact O-N 2.98Å
315	K	98.5	Very high	97.4	Very high	148 Å²	148	45.1 Å²	45.1	64%	0.643	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-55.1	-34.4	-175.7	-70.1	179.6	-177.7	171.3	0	113.3	E284 F317 G318	E284-K315 HydrophobicContact CG-CB 3.92Å; K315-F317 PolarHBondContact O-N 3.23Å; K315-G318 PolarHBondContact O-N 3.27Å
316	W	98.8	Very high	97.4	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.015	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-60.6	-33.2	177	-167.3	74.7	0	0	0	112.5	E160 R164 A167 I248 E284 L285 L288 H314 G318	E160-W316 HydrophobicContact CB-CZ2 4.3Å; E160-W316 PolarHBondContact OE2-NE1 3.09Å; R164-W316 HydrophobicContact CB-CE3 4.37Å; R164-W316 HydrophobicContact CB-CH2 3.55Å; R164-W316 HydrophobicContact CB-CZ2 3.92Å; R164-W316 HydrophobicContact CB-CZ3 3.77Å; R164-W316 WeakPolarHBondContact CD-O 3.25Å; R164-W316 HydrophobicContact CG-CE3 4.1Å; R164-W316 HydrophobicContact CG-CH2 4.16Å; R164-W316 HydrophobicContact CG-CZ3 3.85Å; R164-W316 PolarHBondContact NE-O 2.9Å; A167-W316 HydrophobicContact CB-CH2 4.4Å; A167-W316 HydrophobicContact CB-CZ3 4.08Å; I248-W316 HydrophobicContact CD1-CZ3 4.36Å; I248-W316 HydrophobicContact CG2-CH2 3.95Å; I248-W316 HydrophobicContact CG2-CZ2 4.4Å; I248-W316 HydrophobicContact CG2-CZ3 4.35Å; E284-W316 HydrophobicContact CB-CB 4.03Å; E284-W316 HydrophobicContact CB-CG 4.47Å; L285-W316 HydrophobicContact CD1-CD2 4.32Å; L285-W316 HydrophobicContact CD1-CZ2 3.91Å; L288-W316 HydrophobicContact CB-CB 4.34Å; L288-W316 HydrophobicContact CD2-CB 4.13Å; L288-W316 HydrophobicContact CD2-CD2 3.99Å; L288-W316 HydrophobicContact CD2-CE3 3.47Å; L288-W316 VanDerWaalsContact CD2-CE3 3.47Å; L288-W316 HydrophobicContact CD2-CG 4.29Å; L288-W316 HydrophobicContact CD2-CZ3 4.13Å; H314-W316 WeakPolarHBondContact ND1-CB 3.3Å; H314-W316 PolarHBondContact ND1-N 3.3Å; H314-W316 VanDerWaalsContact ND1-N 3.12Å; H314-W316 PolarHBondContact O-N 3.41Å; H314-W316 VanDerWaalsContact O-N 3.09Å; W316-G318 VanDerWaalsContact C-N 3.35Å
317	F	98.7	Very high	97.5	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.009	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-89.1	6.9	173	-73.6	-73.9	0	0	0	113.5	R164 A167 A168 V171 L288 I311 H314 K315 S319 T320 W322	R164-F317 HydrophobicContact CG-CD1 3.7Å; R164-F317 HydrophobicContact CG-CE1 3.89Å; A167-F317 HydrophobicContact CB-CE1 4.09Å; A167-F317 HydrophobicContact CB-CZ 3.86Å; A168-F317 HydrophobicContact CB-CE1 4.15Å; V171-F317 HydrophobicContact CG2-CZ 4.19Å; L288-F317 HydrophobicContact CD2-CD2 4.2Å; L288-F317 HydrophobicContact CD2-CE2 3.7Å; L288-F317 HydrophobicContact CD2-CZ 4.49Å; I311-F317 HydrophobicContact CG2-CD2 4.28Å; I311-F317 HydrophobicContact CG2-CE2 3.75Å; I311-F317 VanDerWaalsContact O-CD2 3.3Å; I311-F317 WeakPolarHBondContact O-CD2 3.3Å; H314-F317 WeakPolarHBondContact O-CA 3.46Å; H314-F317 PolarHBondContact O-N 3.46Å; K315-F317 PolarHBondContact O-N 3.23Å; F317-S319 PolarHBondContact O-N 3.01Å; F317-T320 WeakPolarHBondContact CA-OG1 3.39Å; F317-T320 HydrophobicContact CD1-CG2 4.37Å; F317-T320 WeakPolarHBondContact CD1-OG1 3.22Å; F317-T320 WeakPolarHBondContact O-CB 3.3Å; F317-T320 PolarHBondContact O-N 2.96Å; F317-T320 PolarHBondContact O-OG1 2.9Å; F317-W322 HydrophobicContact CB-CZ2 3.76Å; F317-W322 AromaticContact CD1-CH2 3.65Å; F317-W322 HydrophobicContact CD1-CH2 3.65Å; F317-W322 AromaticContact CD1-CZ2 3.72Å; F317-W322 HydrophobicContact CD1-CZ2 3.72Å; F317-W322 HydrophobicContact CD2-CH2 4.37Å; F317-W322 HydrophobicContact CD2-CZ2 4.29Å; F317-W322 AromaticContact CE1-CH2 3.83Å; F317-W322 HydrophobicContact CE1-CH2 3.83Å; F317-W322 HydrophobicContact CE1-CZ2 4.37Å; F317-W322 AromaticContact CG-CH2 3.94Å; F317-W322 HydrophobicContact CG-CH2 3.94Å; F317-W322 AromaticContact CG-CZ2 3.68Å; F317-W322 HydrophobicContact CG-CZ2 3.68Å; F317-W322 HydrophobicContact CZ-CH2 4.25Å
318	G	97.1	Very high	97.6	Very high	31 Å²	31	40.7 Å²	40.7	32%	0.32	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-10.7	-170.8	0	0	0	0	0	116.6	H314 K315 W316	H314-G318 PolarHBondContact O-N 2.98Å; K315-G318 PolarHBondContact O-N 3.27Å; W316-G318 VanDerWaalsContact C-N 3.35Å
319	S	95.6	Very high	97.6	Very high	83 Å²	83	46.4 Å²	46.4	58%	0.58	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.1	6.3	173.2	51.6	0	0	0	0	113.6	F317	F317-S319 PolarHBondContact O-N 3.01Å
320	T	98	Very high	97.6	Very high	12 Å²	12	48.2 Å²	48.2	7%	0.074	25%	0.245	C	C	.	.			trans	-89.4	119.2	-173.2	-47.4	0	0	0	0	110	R164 A168 F317 W322 I325	R164-T320 WeakPolarHBondContact CD-OG1 3.26Å; A168-T320 HydrophobicContact CB-CG2 3.72Å; F317-T320 WeakPolarHBondContact CA-OG1 3.39Å; F317-T320 HydrophobicContact CD1-CG2 4.37Å; F317-T320 WeakPolarHBondContact CD1-OG1 3.22Å; F317-T320 WeakPolarHBondContact O-CB 3.3Å; F317-T320 PolarHBondContact O-N 2.96Å; F317-T320 PolarHBondContact O-OG1 2.9Å; T320-W322 HydrophobicContact CG2-CD2 4.09Å; T320-W322 HydrophobicContact CG2-CE3 4.3Å; T320-W322 HydrophobicContact CG2-CH2 4.4Å; T320-W322 HydrophobicContact CG2-CZ2 4.16Å; T320-W322 HydrophobicContact CG2-CZ3 4.48Å; T320-W322 PolarHBondContact O-N 3.27Å; T320-I325 HydrophobicContact CG2-CG1 4.21Å
321	D	97	Very high	97.6	Very high	47 Å²	47	55.4 Å²	55.4	25%	0.251	28%	0.278	S	S	.	.			trans	-88.4	96.1	166.3	-168.5	-36.9	0	0	0	109.8	Y26 I323 A324 I325	Y26-D321 VanDerWaalsContact OH-CA 3.27Å; Y26-D321 WeakPolarHBondContact OH-CA 3.41Å; Y26-D321 PolarHBondContact OH-OD1 3.36Å; D321-I323 VanDerWaalsContact C-N 3.31Å; D321-I323 PolarHBondContact O-N 3.42Å; D321-I323 PolarHBondContact OD1-N 3.01Å; D321-I323 VanDerWaalsContact OD1-N 3.14Å; D321-A324 HydrophobicContact CB-CB 3.79Å; D321-A324 PolarHBondContact O-N 3.42Å; D321-A324 PolarHBondContact OD1-N 3.29Å; D321-I325 VanDerWaalsContact O-CG1 3.3Å; D321-I325 WeakPolarHBondContact O-CG1 3.23Å; D321-I325 PolarHBondContact O-N 2.81Å
322	W	97	Very high	97.5	Very high	4 Å²	4	56 Å²	56	2%	0.015	28%	0.283	C	S	.	.	H	α-helix	trans	-57.9	-37.1	-179.2	-62.5	103	0	0	0	113.4	Y26 A168 V171 L172 K312 F317 T320 Y326	Y26-W322 HydrophobicContact CE1-CB 3.96Å; Y26-W322 AromaticContact CE1-CD1 3.45Å; Y26-W322 VanDerWaalsContact CE1-CD1 3.45Å; Y26-W322 HydrophobicContact CE1-CG 4.07Å; Y26-W322 AromaticContact CZ-CD1 3.51Å; Y26-W322 PolarHBondContact OH-N 3.15Å; A168-W322 HydrophobicContact CB-CE3 4.33Å; A168-W322 HydrophobicContact CB-CH2 4.16Å; A168-W322 HydrophobicContact CB-CZ3 3.75Å; A168-W322 WeakPolarHBondContact O-CZ3 3.27Å; V171-W322 HydrophobicContact CB-CH2 4.02Å; V171-W322 HydrophobicContact CB-CZ3 3.79Å; V171-W322 HydrophobicContact CG1-CH2 3.79Å; V171-W322 HydrophobicContact CG1-CZ3 3.66Å; V171-W322 HydrophobicContact CG2-CH2 4.34Å; L172-W322 HydrophobicContact CD1-CE3 4.18Å; L172-W322 HydrophobicContact CD2-CE3 3.93Å; L172-W322 HydrophobicContact CG-CE3 3.86Å; L172-W322 HydrophobicContact CG-CZ3 4.26Å; K312-W322 VanDerWaalsContact CA-CZ2 3.45Å; K312-W322 HydrophobicContact CB-CD2 4.45Å; K312-W322 HydrophobicContact CB-CH2 4.42Å; K312-W322 HydrophobicContact CB-CZ2 3.75Å; K312-W322 HydrophobicContact CD-CD2 4.44Å; K312-W322 HydrophobicContact CG-CD2 4.09Å; K312-W322 HydrophobicContact CG-CE3 4.28Å; K312-W322 HydrophobicContact CG-CH2 3.87Å; K312-W322 HydrophobicContact CG-CZ2 3.67Å; K312-W322 HydrophobicContact CG-CZ3 4.15Å; K312-W322 PolarHBondContact O-NE1 2.8Å; F317-W322 HydrophobicContact CB-CZ2 3.76Å; F317-W322 AromaticContact CD1-CH2 3.65Å; F317-W322 HydrophobicContact CD1-CH2 3.65Å; F317-W322 AromaticContact CD1-CZ2 3.72Å; F317-W322 HydrophobicContact CD1-CZ2 3.72Å; F317-W322 HydrophobicContact CD2-CH2 4.37Å; F317-W322 HydrophobicContact CD2-CZ2 4.29Å; F317-W322 AromaticContact CE1-CH2 3.83Å; F317-W322 HydrophobicContact CE1-CH2 3.83Å; F317-W322 HydrophobicContact CE1-CZ2 4.37Å; F317-W322 AromaticContact CG-CH2 3.94Å; F317-W322 HydrophobicContact CG-CH2 3.94Å; F317-W322 AromaticContact CG-CZ2 3.68Å; F317-W322 HydrophobicContact CG-CZ2 3.68Å; F317-W322 HydrophobicContact CZ-CH2 4.25Å; T320-W322 HydrophobicContact CG2-CD2 4.09Å; T320-W322 HydrophobicContact CG2-CE3 4.3Å; T320-W322 HydrophobicContact CG2-CH2 4.4Å; T320-W322 HydrophobicContact CG2-CZ2 4.16Å; T320-W322 HydrophobicContact CG2-CZ3 4.48Å; T320-W322 PolarHBondContact O-N 3.27Å; W322-Y326 WeakPolarHBondContact O-CB 3.22Å; W322-Y326 PolarHBondContact O-N 2.68Å
323	I	95.8	Very high	97.4	Very high	57 Å²	57	58.4 Å²	58.4	29%	0.292	30%	0.3	S	S	.	.	H	α-helix	trans	-71.5	-44.6	176.7	-68.1	-59.1	0	0	0	110.4	Y31 D321 I325 Y326 Q327	Y31-I323 HydrophobicContact CD2-CD1 4.17Å; Y31-I323 HydrophobicContact CD2-CG1 4.02Å; Y31-I323 HydrophobicContact CE2-CD1 3.49Å; Y31-I323 VanDerWaalsContact CE2-CD1 3.49Å; Y31-I323 HydrophobicContact CE2-CG1 3.51Å; D321-I323 VanDerWaalsContact C-N 3.31Å; D321-I323 PolarHBondContact O-N 3.42Å; D321-I323 PolarHBondContact OD1-N 3.01Å; D321-I323 VanDerWaalsContact OD1-N 3.14Å; I323-I325 VanDerWaalsContact C-N 3.29Å; I323-I325 PolarHBondContact O-N 3.05Å; I323-Y326 PolarHBondContact O-N 2.77Å; I323-Q327 HydrophobicContact CG2-CG 4.14Å; I323-Q327 WeakPolarHBondContact O-CB 3.31Å; I323-Q327 VanDerWaalsContact O-CG 3.3Å; I323-Q327 WeakPolarHBondContact O-CG 3.31Å; I323-Q327 PolarHBondContact O-N 2.79Å
324	A	96.8	Very high	97.3	Very high	13 Å²	13	56 Å²	56	11%	0.107	29%	0.285	C	S	.	.	H	α-helix	trans	-64.1	-36.6	177.9	0	0	0	0	0	111.6	D321 K328 K329 I330	D321-A324 HydrophobicContact CB-CB 3.79Å; D321-A324 PolarHBondContact O-N 3.42Å; D321-A324 PolarHBondContact OD1-N 3.29Å; A324-K328 PolarHBondContact O-N 2.99Å; A324-K329 HydrophobicContact CB-CB 4.2Å; A324-K329 PolarHBondContact O-N 3.35Å; A324-I330 HydrophobicContact CB-CD1 3.54Å; A324-I330 HydrophobicContact CB-CG1 3.79Å
325	I	98.1	Very high	97.1	Very high	6 Å²	6	60.5 Å²	60.5	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-61	-54.2	171.3	-68.2	-72	0	0	0	109.9	F122 F165 A168 Q169 L172 T320 D321 I323 Q327 K328 I330	F122-I325 HydrophobicContact CE2-CG2 4.26Å; F122-I325 HydrophobicContact CZ-CG2 3.95Å; F122-I325 WeakPolarHBondContact CZ-O 3.39Å; F165-I325 HydrophobicContact CD2-CD1 3.57Å; F165-I325 HydrophobicContact CE2-CD1 3.79Å; A168-I325 HydrophobicContact CB-CG1 4.33Å; A168-I325 HydrophobicContact CB-CG2 4.32Å; Q169-I325 HydrophobicContact CG-CG2 3.7Å; L172-I325 HydrophobicContact CD1-CB 4.25Å; L172-I325 HydrophobicContact CD1-CG2 3.75Å; T320-I325 HydrophobicContact CG2-CG1 4.21Å; D321-I325 VanDerWaalsContact O-CG1 3.3Å; D321-I325 WeakPolarHBondContact O-CG1 3.23Å; D321-I325 PolarHBondContact O-N 2.81Å; I323-I325 VanDerWaalsContact C-N 3.29Å; I323-I325 PolarHBondContact O-N 3.05Å; I325-Q327 VanDerWaalsContact C-N 3.29Å; I325-Q327 PolarHBondContact O-N 2.63Å; I325-K328 WeakPolarHBondContact O-CA 3.1Å; I325-K328 PolarHBondContact O-N 2.6Å; I325-I330 HydrophobicContact CD1-CB 3.91Å; I325-I330 HydrophobicContact CD1-CG1 3.71Å; I325-I330 HydrophobicContact CD1-CG2 4.2Å; I325-I330 HydrophobicContact CG1-CG1 4.05Å
326	Y	97.1	Very high	96.9	Very high	74 Å²	74	54 Å²	54	29%	0.29	28%	0.282	S	S	.	.	H	α-helix	trans	-54	-43.8	179.1	174.2	-101	0	0	0	112.6	F38 F120 P121 W322 I323 K328	F38-Y326 HydrophobicContact CE1-CE2 4.5Å; F38-Y326 AromaticContact CE2-CZ 3.97Å; F38-Y326 WeakPolarHBondContact CE2-OH 3.12Å; F38-Y326 HydrophobicContact CZ-CE2 4.03Å; F38-Y326 AromaticContact CZ-CZ 3.92Å; F38-Y326 VanDerWaalsContact CZ-OH 3.31Å; F38-Y326 WeakPolarHBondContact CZ-OH 3.31Å; F120-Y326 HydrophobicContact CD2-CE2 4.32Å; F120-Y326 HydrophobicContact CE2-CD2 4.09Å; F120-Y326 AromaticContact CE2-CE2 3.62Å; F120-Y326 HydrophobicContact CE2-CE2 3.62Å; F120-Y326 AromaticContact CZ-CD2 3.93Å; F120-Y326 HydrophobicContact CZ-CD2 3.93Å; F120-Y326 AromaticContact CZ-CE2 3.95Å; F120-Y326 HydrophobicContact CZ-CE2 3.95Å; P121-Y326 HydrophobicContact CG-CD2 3.76Å; P121-Y326 HydrophobicContact CG-CE2 3.55Å; W322-Y326 WeakPolarHBondContact O-CB 3.22Å; W322-Y326 PolarHBondContact O-N 2.68Å; I323-Y326 PolarHBondContact O-N 2.77Å; Y326-K328 PolarHBondContact O-N 2.7Å
327	Q	96.7	Very high	96.6	Very high	96 Å²	96	62.6 Å²	62.6	45%	0.449	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	4.4	179.5	-66.8	-179.5	-13	0	0	113.8	I323 I325 K329	I323-Q327 HydrophobicContact CG2-CG 4.14Å; I323-Q327 WeakPolarHBondContact O-CB 3.31Å; I323-Q327 VanDerWaalsContact O-CG 3.3Å; I323-Q327 WeakPolarHBondContact O-CG 3.31Å; I323-Q327 PolarHBondContact O-N 2.79Å; I325-Q327 VanDerWaalsContact C-N 3.29Å; I325-Q327 PolarHBondContact O-N 2.63Å; Q327-K329 VanDerWaalsContact C-N 3.28Å; Q327-K329 HydrophobicContact CB-CD 4.01Å; Q327-K329 HydrophobicContact CB-CG 3.94Å; Q327-K329 PolarHBondContact O-N 3.45Å
328	K	97.8	Very high	96.2	Very high	69 Å²	69	64.7 Å²	64.7	30%	0.3	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	39.6	-174.7	-60	-167.6	174	-170.8	0	114.3	F122 D195 Y199 A324 I325 Y326	F122-K328 HydrophobicContact CE1-CG 4.2Å; D195-K328 IonicContact OD2-NZ 3.44Å; D195-K328 PolarHBondContact OD2-NZ 3.26Å; Y199-K328 HydrophobicContact CD1-CB 4.46Å; Y199-K328 HydrophobicContact CD1-CD 4.23Å; Y199-K328 HydrophobicContact CD1-CG 3.85Å; Y199-K328 HydrophobicContact CD2-CB 4.28Å; Y199-K328 HydrophobicContact CD2-CD 4.2Å; Y199-K328 HydrophobicContact CD2-CG 4.25Å; Y199-K328 HydrophobicContact CE1-CB 4.11Å; Y199-K328 HydrophobicContact CE1-CG 3.87Å; Y199-K328 HydrophobicContact CE2-CB 3.9Å; Y199-K328 HydrophobicContact CE2-CG 4.27Å; Y199-K328 HydrophobicContact CG-CD 3.97Å; Y199-K328 HydrophobicContact CG-CG 4.04Å; Y199-K328 VanDerWaalsContact CZ-CA 3.44Å; Y199-K328 VanDerWaalsContact OH-C 3.24Å; Y199-K328 VanDerWaalsContact OH-CA 3.26Å; Y199-K328 WeakPolarHBondContact OH-CA 3.4Å; A324-K328 PolarHBondContact O-N 2.99Å; I325-K328 WeakPolarHBondContact O-CA 3.1Å; I325-K328 PolarHBondContact O-N 2.6Å; Y326-K328 PolarHBondContact O-N 2.7Å
329	K	97.7	Very high	95.9	Very high	148 Å²	148	73.2 Å²	73.2	64%	0.643	36%	0.356	S	S	*	.			trans	-98.7	-4.4	-178.2	-70.7	-178.2	176.2	170.6	0	114.6	Y199 A324 Q327	Y199-K329 PolarHBondContact OH-N 2.7Å; A324-K329 HydrophobicContact CB-CB 4.2Å; A324-K329 PolarHBondContact O-N 3.35Å; Q327-K329 VanDerWaalsContact C-N 3.28Å; Q327-K329 HydrophobicContact CB-CD 4.01Å; Q327-K329 HydrophobicContact CB-CG 3.94Å; Q327-K329 PolarHBondContact O-N 3.45Å
330	I	97.6	Very high	95.7	Very high	65 Å²	65	70.8 Å²	70.8	33%	0.333	35%	0.345	S	S	.	.	S	Bend	trans	-90.1	132.4	176.7	-59.9	-58.2	0	0	0	108.1	F165 Y199 A324 I325 A332	F165-I330 HydrophobicContact CD2-CG2 3.98Å; F165-I330 HydrophobicContact CE2-CB 4.15Å; F165-I330 HydrophobicContact CE2-CG2 3.99Å; Y199-I330 PolarHBondContact OH-N 2.8Å; Y199-I330 PolarHBondContact OH-O 3.39Å; A324-I330 HydrophobicContact CB-CD1 3.54Å; A324-I330 HydrophobicContact CB-CG1 3.79Å; I325-I330 HydrophobicContact CD1-CB 3.91Å; I325-I330 HydrophobicContact CD1-CG1 3.71Å; I325-I330 HydrophobicContact CD1-CG2 4.2Å; I325-I330 HydrophobicContact CG1-CG1 4.05Å; I330-A332 PolarHBondContact O-N 2.92Å
331	E	97.4	Very high	95.4	Very high	182 Å²	182	75.8 Å²	75.8	85%	0.85	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-61	124.7	174	-172.7	177.9	-179.6	0	0	109.9
332	A	97.8	Very high	95.3	Very high	13 Å²	13	74.3 Å²	74.3	11%	0.107	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-69.9	136.1	-179.2	0	0	0	0	0	110.3	F165 T197 I330 F334 L335	F165-A332 HydrophobicContact CE1-CB 4.05Å; F165-A332 HydrophobicContact CZ-CB 3.85Å; T197-A332 VanDerWaalsContact O-CB 3.25Å; T197-A332 WeakPolarHBondContact O-CB 3.12Å; I330-A332 PolarHBondContact O-N 2.92Å; A332-F334 PolarHBondContact O-N 3.07Å; A332-F334 VanDerWaalsContact O-N 3.15Å; A332-L335 HydrophobicContact CB-CD2 4.2Å
333	P	96.5	Very high	95.2	Very high	65 Å²	65	75.1 Å²	75.1	42%	0.422	38%	0.378	S	S	.	.	S	Bend	trans	-67.9	-13.7	-179.9	29	-37.1	0	0	0	113.6	H162 F165	H162-P333 HydrophobicContact CB-CB 4.1Å; H162-P333 HydrophobicContact CB-CG 4.2Å; H162-P333 WeakPolarHBondContact CD2-CG 3.32Å; F165-P333 HydrophobicContact CB-CG 4.19Å; F165-P333 HydrophobicContact CD1-CG 3.76Å; F165-P333 HydrophobicContact CE1-CG 4.38Å; F165-P333 HydrophobicContact CG-CG 4.08Å
334	F	94.4	Very high	95.1	Very high	45 Å²	45	72.9 Å²	72.9	20%	0.197	37%	0.368	C	S	.	.			trans	-148	131.1	179.8	169.3	-102.7	0	0	0	109.4	H151 I194 G198 A332 P336	H151-F334 HydrophobicContact CB-CE1 4.46Å; H151-F334 AromaticContact CD2-CE1 3.95Å; H151-F334 AromaticContact CE1-CE1 3.67Å; H151-F334 AromaticContact CE1-CZ 3.49Å; H151-F334 VanDerWaalsContact CE1-CZ 3.49Å; H151-F334 WeakPolarHBondContact CE1-CZ 3.37Å; H151-F334 AromaticContact CG-CE1 3.74Å; H151-F334 AromaticContact CG-CZ 3.91Å; H151-F334 AromaticContact ND1-CE1 3.58Å; H151-F334 AromaticContact ND1-CZ 3.28Å; H151-F334 VanDerWaalsContact ND1-CZ 3.28Å; H151-F334 WeakPolarHBondContact ND1-CZ 3.28Å; H151-F334 AromaticContact NE2-CE1 3.89Å; I194-F334 HydrophobicContact CD1-CD1 4.03Å; I194-F334 HydrophobicContact CD1-CE1 4.13Å; G198-F334 VanDerWaalsContact CA-O 3.26Å; G198-F334 WeakPolarHBondContact CA-O 3.39Å; A332-F334 PolarHBondContact O-N 3.07Å; A332-F334 VanDerWaalsContact O-N 3.15Å; F334-P336 HydrophobicContact CE1-CB 4.03Å; F334-P336 HydrophobicContact CZ-CB 4.27Å
335	L	95.3	Very high	94.9	Very high	107 Å²	107	75 Å²	75	56%	0.56	38%	0.382	S	S	*	.			trans	-113.6	121.8	171.6	-65.3	176.5	0	0	0	108.8	T197 A332	T197-L335 VanDerWaalsContact O-CD2 3.3Å; T197-L335 WeakPolarHBondContact O-CD2 3.47Å; A332-L335 HydrophobicContact CB-CD2 4.2Å
336	P	93.5	Very high	94.7	Very high	10 Å²	10	76.1 Å²	76.1	7%	0.065	39%	0.388	C	S	.	.			trans	-66.7	148.5	175.2	28.5	-32.8	0	0	0	110.3	I194 D195 F334 C338	I194-P336 HydrophobicContact CG2-CG 4.1Å; D195-P336 VanDerWaalsContact O-CG 3.27Å; D195-P336 WeakPolarHBondContact O-CG 3.32Å; F334-P336 HydrophobicContact CE1-CB 4.03Å; F334-P336 HydrophobicContact CZ-CB 4.27Å; P336-C338 PolarHBondContact O-N 3.25Å
337	K	92.8	Very high	94.3	Very high	185 Å²	185	73.8 Å²	73.8	80%	0.804	38%	0.38	S	S	*	.			trans	-74.4	116.7	173.8	-67.7	-177.7	-180	179.9	0	108.5	N346	K337-N346 PolarHBondContact O-ND2 3.18Å
338	C	91.3	Very high	94	Very high	46 Å²	46	74.4 Å²	74.4	31%	0.311	39%	0.386	S	S	.	.			trans	-129.8	123.8	174.5	-58.1	0	0	0	0	109.2	S144 P336 G340	S144-C338 PolarHBondContact OG-SG 3.34Å; S144-C338 VanDerWaalsContact OG-SG 3.38Å; P336-C338 PolarHBondContact O-N 3.25Å; C338-G340 VanDerWaalsContact C-N 3.35Å
339	R	90.7	Very high	93.7	Very high	210 Å²	210	77.9 Å²	77.9	79%	0.792	41%	0.408	S	S	*	.			trans	-81.6	-11.1	-177.4	-69.7	180	-89.3	-173	-10.8	114	D343 S345	R339-D343 HydrophobicContact CB-CB 4.39Å; R339-D343 WeakPolarHBondContact CB-OD2 3.28Å; R339-D343 PolarHBondContact N-OD2 2.86Å; R339-D343 IonicContact NE-OD1 3.55Å; R339-D343 IonicContact NE-OD2 3.5Å; R339-S345 PolarHBondContact NH2-OG 3.15Å; R339-S345 VanDerWaalsContact NH2-OG 3.15Å
340	G	91.5	Very high	93.5	Very high	33 Å²	33	74.6 Å²	74.6	34%	0.34	39%	0.392	S	S	.	.	S	Bend	trans	152.9	-173.9	178.4	0	0	0	0	0	112.8	C338 G342 D343	C338-G340 VanDerWaalsContact C-N 3.35Å; G340-G342 PolarHBondContact O-N 2.97Å; G340-D343 WeakPolarHBondContact O-CB 3.44Å; G340-D343 PolarHBondContact O-N 3Å
341	P	91.4	Very high	93.2	Very high	116 Å²	116	79.3 Å²	79.3	75%	0.753	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	129.8	176.1	-23	34.3	0	0	0	111.5	Y88 D343	Y88-P341 HydrophobicContact CD2-CB 3.89Å; Y88-P341 HydrophobicContact CE2-CB 3.74Å; P341-D343 VanDerWaalsContact C-N 3.34Å
342	G	93.8	Very high	93	Very high	17 Å²	17	74.9 Å²	74.9	18%	0.175	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	5	-178.5	0	0	0	0	0	115.2	L79 G340 A344	L79-G342 VanDerWaalsContact CD2-O 3.32Å; L79-G342 WeakPolarHBondContact CD2-O 3.14Å; G340-G342 PolarHBondContact O-N 2.97Å; G342-A344 PolarHBondContact O-N 3.17Å; G342-A344 VanDerWaalsContact O-N 3.13Å
343	D	95.3	Very high	92.5	Very high	20 Å²	20	80 Å²	80	11%	0.107	41%	0.413	C	S	.	.			trans	-66.7	112	172.6	-176.2	7.9	0	0	0	110.9	F142 R339 G340 P341 S345	F142-D343 WeakPolarHBondContact CZ-O 3.43Å; R339-D343 HydrophobicContact CB-CB 4.39Å; R339-D343 WeakPolarHBondContact CB-OD2 3.28Å; R339-D343 PolarHBondContact N-OD2 2.86Å; R339-D343 IonicContact NE-OD1 3.55Å; R339-D343 IonicContact NE-OD2 3.5Å; G340-D343 WeakPolarHBondContact O-CB 3.44Å; G340-D343 PolarHBondContact O-N 3Å; P341-D343 VanDerWaalsContact C-N 3.34Å; D343-S345 VanDerWaalsContact CG-OG 3.26Å; D343-S345 WeakPolarHBondContact OD1-CB 3.36Å; D343-S345 PolarHBondContact OD1-N 3.4Å; D343-S345 PolarHBondContact OD1-OG 3.29Å; D343-S345 PolarHBondContact OD2-OG 2.99Å
344	A	93.7	Very high	92.2	Very high	11 Å²	11	81.8 Å²	81.8	9%	0.091	43%	0.425	C	S	.	.			trans	-105.1	21.8	177.1	0	0	0	0	0	113.1	K67 L69 L79 F142 G342 N346 F347	K67-A344 HydrophobicContact CD-CB 4.25Å; L69-A344 HydrophobicContact CD2-CB 3.67Å; L79-A344 HydrophobicContact CD2-CB 4.17Å; F142-A344 HydrophobicContact CZ-CB 4.29Å; G342-A344 PolarHBondContact O-N 3.17Å; G342-A344 VanDerWaalsContact O-N 3.13Å; A344-N346 PolarHBondContact O-N 3.25Å; A344-F347 HydrophobicContact CB-CD2 4.28Å; A344-F347 WeakPolarHBondContact O-CB 3.3Å; A344-F347 PolarHBondContact O-N 2.75Å; A344-F347 VanDerWaalsContact O-N 3.09Å
345	S	93.3	Very high	92.1	Very high	57 Å²	57	82 Å²	82	40%	0.399	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-6.7	-178	58.7	0	0	0	0	115.8	R339 D343 F347	R339-S345 PolarHBondContact NH2-OG 3.15Å; R339-S345 VanDerWaalsContact NH2-OG 3.15Å; D343-S345 VanDerWaalsContact CG-OG 3.26Å; D343-S345 WeakPolarHBondContact OD1-CB 3.36Å; D343-S345 PolarHBondContact OD1-N 3.4Å; D343-S345 PolarHBondContact OD1-OG 3.29Å; D343-S345 PolarHBondContact OD2-OG 2.99Å; S345-F347 VanDerWaalsContact C-N 3.28Å
346	N	92.8	Very high	92	Very high	29 Å²	29	86.9 Å²	86.9	16%	0.155	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	4.5	167	-62.5	-62.2	0	0	0	112.9	S144 G145 K337 A344	S144-N346 PolarHBondContact O-ND2 2.88Å; G145-N346 WeakPolarHBondContact O-CB 3.14Å; K337-N346 PolarHBondContact O-ND2 3.18Å; A344-N346 PolarHBondContact O-N 3.25Å
347	F	89.8	Confident	92.1	Very high	26 Å²	26	90.2 Å²	90.2	11%	0.114	46%	0.455	C	S	.	.	S	Bend	trans	-114.2	148.8	176.3	-64.2	-94.9	0	0	0	110.3	L69 F142 I143 A344 S345	L69-F347 HydrophobicContact CB-CD1 4.09Å; L69-F347 HydrophobicContact CB-CE1 4.42Å; L69-F347 HydrophobicContact CB-CG 4.49Å; L69-F347 HydrophobicContact CD2-CB 4.17Å; L69-F347 HydrophobicContact CD2-CD1 4.2Å; L69-F347 HydrophobicContact CD2-CD2 3.9Å; L69-F347 HydrophobicContact CD2-CE2 4.33Å; L69-F347 HydrophobicContact CD2-CG 3.82Å; F142-F347 HydrophobicContact CE2-CD2 4.36Å; F142-F347 AromaticContact CE2-CE2 3.62Å; F142-F347 HydrophobicContact CE2-CE2 3.62Å; F142-F347 HydrophobicContact CE2-CZ 4.05Å; F142-F347 AromaticContact CZ-CE2 3.98Å; F142-F347 HydrophobicContact CZ-CE2 3.98Å; I143-F347 WeakPolarHBondContact O-CE2 3.2Å; I143-F347 VanDerWaalsContact O-CZ 3.23Å; I143-F347 WeakPolarHBondContact O-CZ 3.15Å; A344-F347 HydrophobicContact CB-CD2 4.28Å; A344-F347 WeakPolarHBondContact O-CB 3.3Å; A344-F347 PolarHBondContact O-N 2.75Å; A344-F347 VanDerWaalsContact O-N 3.09Å; S345-F347 VanDerWaalsContact C-N 3.28Å
348	D	89.1	Confident	92.3	Very high	109 Å²	109	82.9 Å²	82.9	58%	0.583	43%	0.427	S	S	*	.			trans	-64.2	163.3	176.1	-66	-25.5	0	0	0	111.6	K67 Y350	K67-D348 WeakPolarHBondContact CE-O 3.4Å; K67-D348 PolarHBondContact NZ-O 3.01Å; D348-Y350 HydrophobicContact CB-CE2 3.82Å
349	D	91.5	Very high	92.5	Very high	142 Å²	142	84.4 Å²	84.4	76%	0.759	45%	0.451	S	S	*	.			trans	-93	131.8	173.2	-67.8	-47.7	0	0	0	109.6	K67	K67-D349 WeakPolarHBondContact CE-OD1 3.3Å; K67-D349 IonicContact NZ-OD1 2.82Å; K67-D349 PolarHBondContact NZ-OD1 3.28Å
350	Y	93.5	Very high	92.8	Very high	78 Å²	78	78.4 Å²	78.4	31%	0.306	44%	0.438	S	S	.	.			trans	-123.1	156.6	-179.8	-66.4	-91.4	0	0	0	110.3	T68 L69 T71 D348 E352	T68-Y350 HydrophobicContact CG2-CD2 4.31Å; T68-Y350 HydrophobicContact CG2-CG 4.11Å; L69-Y350 WeakPolarHBondContact O-CE2 3.15Å; T71-Y350 HydrophobicContact CG2-CD1 3.85Å; T71-Y350 HydrophobicContact CG2-CE1 4.38Å; T71-Y350 HydrophobicContact CG2-CG 4.37Å; D348-Y350 HydrophobicContact CB-CE2 3.82Å; Y350-E352 PolarHBondContact O-N 2.92Å
351	E	91.9	Very high	93.1	Very high	165 Å²	165	80.9 Å²	80.9	77%	0.771	44%	0.44	S	S	*	.			trans	-70.7	126.5	174.5	-171	178	176.8	0	0	111.3	E353	E351-E353 PolarHBondContact O-N 3.31Å
352	E	92.7	Very high	93.4	Very high	88 Å²	88	78.2 Å²	78.2	41%	0.411	42%	0.417	S	S	.	.			trans	-81.5	101.2	-179.9	-61.8	-59.8	166.1	0	0	111.5	K67 T68 Y350	K67-E352 WeakPolarHBondContact CA-OE1 3.34Å; T68-E352 PolarHBondContact N-OE1 2.74Å; T68-E352 PolarHBondContact N-OE2 3.29Å; T68-E352 PolarHBondContact OG1-OE2 3.25Å; Y350-E352 PolarHBondContact O-N 2.92Å
353	E	88.3	Confident	93.6	Very high	120 Å²	120	78.9 Å²	78.9	56%	0.561	42%	0.418	S	S	*	.			trans	-85.6	142.6	168.3	-51.1	173.6	152.6	0	0	112.7	R76 E351	R76-E353 IonicContact CZ-OE2 3.59Å; R76-E353 VanDerWaalsContact NH1-N 3.16Å; R76-E353 PolarHBondContact NH1-O 2.97Å; R76-E353 IonicContact NH2-OE2 3.98Å; R76-E353 PolarHBondContact NH2-OE2 3.06Å; E351-E353 PolarHBondContact O-N 3.31Å
354	P	89.7	Confident	93.7	Very high	103 Å²	103	80.6 Å²	80.6	67%	0.669	44%	0.435	S	S	*	.			trans	-67.3	133.1	174.2	26.7	-33.1	0	0	0	111.9	R356	P354-R356 PolarHBondContact O-N 3.07Å
355	L	92.5	Very high	93.8	Very high	49 Å²	49	89 Å²	89	26%	0.257	47%	0.47	S	S	.	.			trans	-75.2	109.5	175.1	-174.9	64.1	0	0	0	110.5	L60 I93 Y137	L60-L355 HydrophobicContact CD1-CD2 4.29Å; L60-L355 HydrophobicContact CD2-CD2 3.74Å; I93-L355 HydrophobicContact CD1-CD2 4.22Å; I93-L355 HydrophobicContact CG2-CD1 3.82Å; Y137-L355 HydrophobicContact CE1-CD2 4.09Å
356	R	92.4	Very high	94.1	Very high	211 Å²	211	90.2 Å²	90.2	80%	0.796	47%	0.469	S	S	*	.			trans	-93.8	126.8	178.4	-63.2	-174	-177.9	-173.4	1.5	110.8	P354	P354-R356 PolarHBondContact O-N 3.07Å
357	I	96.3	Very high	94.3	Very high	80 Å²	80	88.9 Å²	88.9	41%	0.41	46%	0.462	S	S	.	.			trans	-111.9	123.7	175	-56.4	169.1	0	0	0	108.1	L60 D132 N133	L60-I357 HydrophobicContact CD2-CD1 3.63Å; D132-I357 HydrophobicContact CB-CG2 4.27Å; D132-I357 VanDerWaalsContact OD2-CD1 3.22Å; D132-I357 WeakPolarHBondContact OD2-CD1 3.43Å; D132-I357 WeakPolarHBondContact OD2-CG1 3.48Å; N133-I357 HydrophobicContact CB-CG2 4.15Å
358	S	96.2	Very high	94.6	Very high	31 Å²	31	90.4 Å²	90.4	22%	0.217	48%	0.48	C	S	.	.			trans	-65.5	145.5	178.8	169.6	0	0	0	0	111.1	N133 S134 T360 K362	N133-S358 WeakPolarHBondContact CB-O 3.44Å; N133-S358 PolarHBondContact ND2-O 3.46Å; S134-S358 VanDerWaalsContact OG-CB 3.29Å; S134-S358 WeakPolarHBondContact OG-CB 3.36Å; S134-S358 PolarHBondContact OG-N 3.47Å; S358-T360 VanDerWaalsContact CB-O 3.32Å; S358-T360 WeakPolarHBondContact CB-O 3.47Å; S358-T360 PolarHBondContact O-N 3.25Å; S358-T360 PolarHBondContact OG-N 3.22Å; S358-T360 PolarHBondContact OG-O 3.42Å; S358-T360 PolarHBondContact OG-OG1 3.23Å; S358-K362 VanDerWaalsContact OG-CE 3.31Å; S358-K362 WeakPolarHBondContact OG-CE 3.45Å
359	G	96.8	Very high	94.9	Very high	78 Å²	78	91.6 Å²	91.6	80%	0.804	48%	0.482	S	S	*	.	S	Bend	trans	-70.8	-8.3	168.9	0	0	0	0	0	114.1
360	T	96.9	Very high	95.1	Very high	84 Å²	84	84.8 Å²	84.8	52%	0.515	45%	0.445	S	S	.	.	S	Bend	trans	-125.8	137.9	176.9	52	0	0	0	0	111	S358 K362	S358-T360 VanDerWaalsContact CB-O 3.32Å; S358-T360 WeakPolarHBondContact CB-O 3.47Å; S358-T360 PolarHBondContact O-N 3.25Å; S358-T360 PolarHBondContact OG-N 3.22Å; S358-T360 PolarHBondContact OG-O 3.42Å; S358-T360 PolarHBondContact OG-OG1 3.23Å; T360-K362 PolarHBondContact OG1-NZ 3.45Å
361	E	97.8	Very high	95.2	Very high	84 Å²	84	85.2 Å²	85.2	39%	0.393	45%	0.452	S	S	.	.			trans	-60.3	131.8	178.1	-179.8	66.3	-141.3	0	0	111.7	K96 N133 A364	K96-E361 IonicContact NZ-OE1 3.96Å; K96-E361 PolarHBondContact NZ-OE1 2.95Å; K96-E361 IonicContact NZ-OE2 2.73Å; N133-E361 WeakPolarHBondContact CA-OE2 3.32Å; N133-E361 WeakPolarHBondContact OD1-CA 3.32Å; N133-E361 PolarHBondContact OD1-OE2 3.31Å; N133-E361 VanDerWaalsContact OD1-OE2 3.08Å; E361-A364 HydrophobicContact CG-CB 3.68Å
362	K	97.9	Very high	95.4	Very high	61 Å²	61	80.9 Å²	80.9	27%	0.265	44%	0.436	S	S	.	.			trans	-111.7	138.7	177.9	-55.1	-56	-179.6	-163.5	0	110.1	K96 Q97 N133 S358 T360 A364	K96-K362 WeakPolarHBondContact CD-O 3.49Å; Q97-K362 HydrophobicContact CG-CB 4.06Å; Q97-K362 HydrophobicContact CG-CG 4.34Å; N133-K362 VanDerWaalsContact O-CB 3.28Å; N133-K362 WeakPolarHBondContact O-CB 3.39Å; N133-K362 WeakPolarHBondContact O-CG 2.85Å; N133-K362 PolarHBondContact O-N 2.94Å; S358-K362 VanDerWaalsContact OG-CE 3.31Å; S358-K362 WeakPolarHBondContact OG-CE 3.45Å; T360-K362 PolarHBondContact OG1-NZ 3.45Å; K362-A364 PolarHBondContact O-N 2.81Å; K362-A364 VanDerWaalsContact O-N 3.17Å
363	C	97.2	Very high	95.5	Very high	30 Å²	30	80.6 Å²	80.6	20%	0.203	44%	0.437	C	S	.	.	S	Bend	trans	54	35.6	172.3	-50.7	0	0	0	0	114.1	K96 V100 K365 E366 F367	K96-C363 HydrophobicContact CB-CB 4.06Å; V100-C363 HydrophobicContact CG2-CB 4.03Å; C363-K365 VanDerWaalsContact C-N 3.26Å; C363-K365 PolarHBondContact O-N 3.35Å; C363-E366 WeakPolarHBondContact CA-OE2 3.27Å; C363-E366 HydrophobicContact CB-CB 4.41Å; C363-E366 PolarHBondContact O-N 3.4Å; C363-F367 HydrophobicContact CB-CD2 3.76Å; C363-F367 HydrophobicContact CB-CE2 3.74Å; C363-F367 WeakPolarHBondContact O-CD2 3.44Å; C363-F367 PolarHBondContact O-N 3.08Å
364	A	96.7	Very high	95.9	Very high	56 Å²	56	78.2 Å²	78.2	46%	0.463	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-40.8	-176.5	0	0	0	0	0	112.5	E361 K362 A368	E361-A364 HydrophobicContact CG-CB 3.68Å; K362-A364 PolarHBondContact O-N 2.81Å; K362-A364 VanDerWaalsContact O-N 3.17Å; A364-A368 WeakPolarHBondContact O-CA 3.42Å; A364-A368 PolarHBondContact O-N 3.09Å
365	K	97.4	Very high	96.3	Very high	189 Å²	189	76.7 Å²	76.7	82%	0.822	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-42.2	-176.3	-175.3	-179.4	177.4	-178.1	0	111.2	C363 F367	C363-K365 VanDerWaalsContact C-N 3.26Å; C363-K365 PolarHBondContact O-N 3.35Å; K365-F367 VanDerWaalsContact C-N 3.3Å; K365-F367 PolarHBondContact O-N 3.17Å
366	E	98	Very high	96.6	Very high	81 Å²	81	78.5 Å²	78.5	38%	0.379	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-32.1	-178.4	-65.3	85.3	167	0	0	112.1	V100 V105 C363	V100-E366 HydrophobicContact CG2-CB 4.14Å; V100-E366 HydrophobicContact CG2-CG 3.99Å; V105-E366 HydrophobicContact CG1-CB 4.15Å; V105-E366 WeakPolarHBondContact CG1-O 3.41Å; V105-E366 HydrophobicContact CG2-CB 4.34Å; C363-E366 WeakPolarHBondContact CA-OE2 3.27Å; C363-E366 HydrophobicContact CB-CB 4.41Å; C363-E366 PolarHBondContact O-N 3.4Å
367	F	97.6	Very high	96.9	Very high	1 Å²	1	69.1 Å²	69.1	0%	0.004	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	24.5	-177	-57.2	-67.7	0	0	0	113.6	K96 V99 V100 V105 L109 K131 L136 C363 K365 E369 F370	K96-F367 HydrophobicContact CB-CD2 3.95Å; K96-F367 HydrophobicContact CB-CE2 3.65Å; K96-F367 HydrophobicContact CD-CD2 3.94Å; K96-F367 HydrophobicContact CD-CE2 4.5Å; K96-F367 HydrophobicContact CG-CD2 3.69Å; K96-F367 HydrophobicContact CG-CE2 3.83Å; V99-F367 HydrophobicContact CB-CE1 4.5Å; V99-F367 HydrophobicContact CB-CZ 3.82Å; V99-F367 HydrophobicContact CG1-CE1 3.8Å; V99-F367 HydrophobicContact CG1-CZ 3.5Å; V99-F367 VanDerWaalsContact CG1-CZ 3.5Å; V100-F367 HydrophobicContact CG2-CE2 3.75Å; V100-F367 HydrophobicContact CG2-CZ 3.96Å; V105-F367 HydrophobicContact CB-CE1 4.37Å; V105-F367 HydrophobicContact CG1-CD1 4.45Å; V105-F367 HydrophobicContact CG1-CE1 4.01Å; V105-F367 HydrophobicContact CG2-CE1 4.24Å; V105-F367 HydrophobicContact CG2-CZ 3.99Å; L109-F367 HydrophobicContact CD2-CD1 4.35Å; K131-F367 PolarHBondContact NZ-O 3.41Å; L136-F367 HydrophobicContact CD1-CD1 3.53Å; L136-F367 HydrophobicContact CD1-CD2 4.45Å; L136-F367 HydrophobicContact CD1-CE1 3.56Å; L136-F367 HydrophobicContact CD1-CE2 4.48Å; L136-F367 HydrophobicContact CD1-CG 4Å; L136-F367 HydrophobicContact CD1-CZ 4.06Å; L136-F367 HydrophobicContact CD2-CB 3.9Å; L136-F367 HydrophobicContact CD2-CD1 4.18Å; L136-F367 HydrophobicContact CD2-CD2 4.39Å; L136-F367 HydrophobicContact CD2-CG 3.89Å; L136-F367 HydrophobicContact CG-CD1 4.45Å; L136-F367 HydrophobicContact CG-CG 4.48Å; C363-F367 HydrophobicContact CB-CD2 3.76Å; C363-F367 HydrophobicContact CB-CE2 3.74Å; C363-F367 WeakPolarHBondContact O-CD2 3.44Å; C363-F367 PolarHBondContact O-N 3.08Å; K365-F367 VanDerWaalsContact C-N 3.3Å; K365-F367 PolarHBondContact O-N 3.17Å; F367-E369 PolarHBondContact O-N 3.48Å; F367-F370 HydrophobicContact CB-CB 4.14Å; F367-F370 WeakPolarHBondContact O-CB 3.43Å; F367-F370 PolarHBondContact O-N 2.99Å; F367-F370 VanDerWaalsContact O-N 3.15Å
368	A	96.6	Very high	96.9	Very high	59 Å²	59	68.2 Å²	68.2	49%	0.488	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-40.9	179.6	0	0	0	0	0	111.9	K131 A364	K131-A368 PolarHBondContact NZ-O 2.9Å; A364-A368 WeakPolarHBondContact O-CA 3.42Å; A364-A368 PolarHBondContact O-N 3.09Å
369	E	94.5	Very high	97	Very high	133 Å²	133	71.3 Å²	71.3	62%	0.621	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-6.5	-178.7	-62.1	-173.2	177.9	0	0	115.1	Q55 F367	Q55-E369 PolarHBondContact NE2-O 3.04Å; F367-E369 PolarHBondContact O-N 3.48Å
370	F	96.6	Very high	97	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	38%	0.377	C	S	.	.			trans	-61.6	0	-179.6	-171.6	-81.8	0	0	0	111.3	T108 L109 K112 F130 K131 L136 M138 F367	T108-F370 HydrophobicContact CG2-CD2 4.42Å; T108-F370 HydrophobicContact CG2-CE2 4.06Å; L109-F370 HydrophobicContact CD2-CB 3.82Å; L109-F370 HydrophobicContact CD2-CD2 4.2Å; K112-F370 HydrophobicContact CB-CD2 4.33Å; K112-F370 HydrophobicContact CB-CE2 3.85Å; K112-F370 HydrophobicContact CB-CZ 4.3Å; K112-F370 WeakPolarHBondContact CD-OXT 3.44Å; K112-F370 WeakPolarHBondContact CE-OXT 2.96Å; K112-F370 HydrophobicContact CG-CD2 4.37Å; K112-F370 HydrophobicContact CG-CE1 4.41Å; K112-F370 HydrophobicContact CG-CE2 3.93Å; K112-F370 HydrophobicContact CG-CZ 3.95Å; K112-F370 PolarHBondContact NZ-OXT 3.01Å; F130-F370 WeakPolarHBondContact O-CE1 3.25Å; K131-F370 HydrophobicContact CB-CD1 4.36Å; K131-F370 HydrophobicContact CD-CB 4.11Å; K131-F370 HydrophobicContact CD-CD1 4.35Å; K131-F370 PolarHBondContact NZ-O 2.95Å; L136-F370 HydrophobicContact CB-CD1 4.35Å; L136-F370 HydrophobicContact CB-CD2 4.23Å; L136-F370 HydrophobicContact CB-CE1 3.91Å; L136-F370 HydrophobicContact CB-CE2 3.77Å; L136-F370 HydrophobicContact CB-CZ 3.6Å; L136-F370 HydrophobicContact CD1-CD2 3.82Å; L136-F370 HydrophobicContact CD1-CE2 3.9Å; L136-F370 HydrophobicContact CD1-CG 4.44Å; L136-F370 HydrophobicContact CD2-CB 4.14Å; L136-F370 HydrophobicContact CD2-CD1 3.91Å; L136-F370 HydrophobicContact CD2-CD2 3.96Å; L136-F370 HydrophobicContact CD2-CE1 4.32Å; L136-F370 HydrophobicContact CD2-CE2 4.37Å; L136-F370 HydrophobicContact CD2-CG 3.72Å; L136-F370 HydrophobicContact CG-CD2 4.22Å; L136-F370 HydrophobicContact CG-CE2 4.23Å; L136-F370 HydrophobicContact CG-CG 4.44Å; L136-F370 HydrophobicContact CG-CZ 4.45Å; M138-F370 HydrophobicContact CG-CZ 3.86Å; F367-F370 HydrophobicContact CB-CB 4.14Å; F367-F370 WeakPolarHBondContact O-CB 3.43Å; F367-F370 PolarHBondContact O-N 2.99Å; F367-F370 VanDerWaalsContact O-N 3.15Å

Retrieved 370 of 370 residues in 2256.5 ms (Link to these results)

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