A0A087XRE9_POEFO Loading...

Heparan-sulfate 6-O-sulfotransferase

6-O-sulfation enzyme which catalyzes the transfer of sulfate from 3'-phosphoadenosine 5'-phosphosulfate (PAPS) to position 6 of the N-sulfoglucosamine residue (GlcNS) of heparan sulfate.

AlphaFold DB , UniProt , Accession A0A087XRE9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 434 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48	Very low	57.9	Low	241 Å²	241	130.7 Å²	130.7	100%	1.187	65%	0.653	S	S	*	*				0	131.4	0	-59.6	157.7	-170.5	0	0	104.8
2	D	55	Low	59.3	Low	104 Å²	104	125.6 Å²	125.6	56%	0.556	64%	0.636	S	S	*	*			cis	-150.3	16.6	36.8	-145.1	10.2	0	0	0	117.2	R4 S5	D2-R4 PolarHBondContact O-N 3.37Å; D2-S5 VanDerWaalsContact CG-CB 3.48Å; D2-S5 VanDerWaalsContact O-CB 3.27Å; D2-S5 WeakPolarHBondContact O-CB 3.46Å; D2-S5 PolarHBondContact O-N 3.4Å; D2-S5 WeakPolarHBondContact OD1-CB 3.44Å
3	E	53.8	Low	60.7	Low	162 Å²	162	123 Å²	123	76%	0.757	62%	0.623	S	S	*	*	H	α-helix	trans	-56.4	-22.8	-171.1	-68.3	-160.7	123.9	0	0	117
4	R	52.3	Low	61.9	Low	228 Å²	228	121.5 Å²	121.5	86%	0.86	62%	0.617	S	S	*	*	H	α-helix	trans	-72.1	-32.9	172.7	-86.7	-174.3	171.7	177.5	-2.8	112.5	D2 L8	D2-R4 PolarHBondContact O-N 3.37Å; R4-L8 PolarHBondContact O-N 3.48Å
5	S	53	Low	62.9	Low	41 Å²	41	117 Å²	117	29%	0.287	61%	0.606	S	S	.	*	H	α-helix	trans	-66.7	-46.8	178.3	-173.6	0	0	0	0	111	D2 K7 L8 I9	D2-S5 VanDerWaalsContact CG-CB 3.48Å; D2-S5 VanDerWaalsContact O-CB 3.27Å; D2-S5 WeakPolarHBondContact O-CB 3.46Å; D2-S5 PolarHBondContact O-N 3.4Å; D2-S5 WeakPolarHBondContact OD1-CB 3.44Å; S5-K7 VanDerWaalsContact C-N 3.29Å; S5-K7 PolarHBondContact O-N 3.11Å; S5-L8 PolarHBondContact O-N 2.85Å; S5-L8 VanDerWaalsContact O-N 3.08Å; S5-I9 WeakPolarHBondContact O-CG1 3.48Å; S5-I9 PolarHBondContact O-N 2.97Å
6	S	57	Low	63.9	Low	74 Å²	74	115.4 Å²	115.4	52%	0.517	60%	0.603	S	S	.	*	H	α-helix	trans	-56	-40.9	179.8	-43.9	0	0	0	0	112.9	I9 L10	S6-I9 PolarHBondContact O-N 3.41Å; S6-L10 WeakPolarHBondContact O-CB 3.25Å; S6-L10 PolarHBondContact O-N 3.18Å
7	K	54.6	Low	64.6	Low	152 Å²	152	114.2 Å²	114.2	66%	0.661	60%	0.596	S	S	*	*	H	α-helix	trans	-74.2	-32.7	178.7	-69.6	178.6	-179.6	171.8	0	113.1	S5 I9 V11	S5-K7 VanDerWaalsContact C-N 3.29Å; S5-K7 PolarHBondContact O-N 3.11Å; K7-I9 VanDerWaalsContact C-N 3.29Å; K7-I9 PolarHBondContact O-N 2.71Å; K7-V11 WeakPolarHBondContact O-CG2 2.77Å
8	L	59.7	Low	65.4	Low	134 Å²	134	117.2 Å²	117.2	70%	0.702	60%	0.604	S	S	*	*	H	α-helix	trans	-67	-28.8	173	-83.3	163.4	0	0	0	112.8	R4 S5 P12	R4-L8 PolarHBondContact O-N 3.48Å; S5-L8 PolarHBondContact O-N 2.85Å; S5-L8 VanDerWaalsContact O-N 3.08Å; L8-P12 WeakPolarHBondContact O-CD 3.14Å; L8-P12 WeakPolarHBondContact O-CG 3.22Å
9	I	64.9	Low	65.9	Low	94 Å²	94	116.4 Å²	116.4	48%	0.482	61%	0.605	S	S	.	*	H	α-helix	trans	-86.5	-35.4	178	-63.3	166.2	0	0	0	111.8	S5 S6 K7 V11 P12 I13	S5-I9 WeakPolarHBondContact O-CG1 3.48Å; S5-I9 PolarHBondContact O-N 2.97Å; S6-I9 PolarHBondContact O-N 3.41Å; K7-I9 VanDerWaalsContact C-N 3.29Å; K7-I9 PolarHBondContact O-N 2.71Å; I9-V11 PolarHBondContact O-N 2.79Å; I9-P12 VanDerWaalsContact O-CD 3.31Å; I9-P12 WeakPolarHBondContact O-CD 3.33Å; I9-P12 WeakPolarHBondContact O-CG 3.27Å; I9-I13 HydrophobicContact CG2-CD1 3.74Å; I9-I13 WeakPolarHBondContact O-CG1 3.32Å; I9-I13 PolarHBondContact O-N 3.03Å
10	L	66.4	Low	66.2	Low	106 Å²	106	115.9 Å²	115.9	56%	0.555	60%	0.601	S	S	*	*	H	α-helix	trans	-66	-37.8	-177.4	-157.1	94.3	0	0	0	113.4	S6 I13 L14	S6-L10 WeakPolarHBondContact O-CB 3.25Å; S6-L10 PolarHBondContact O-N 3.18Å; L10-I13 PolarHBondContact O-N 2.79Å; L10-L14 HydrophobicContact CD2-CD1 3.9Å; L10-L14 HydrophobicContact CG-CD1 4.21Å; L10-L14 PolarHBondContact O-N 2.68Å
11	V	72.4	Confident	66.5	Low	102 Å²	102	115 Å²	115	62%	0.618	60%	0.596	S	S	*	*	H	α-helix	trans	-62.9	-52	-178	173	0	0	0	0	113.2	K7 I9 I13 L14 A15	K7-V11 WeakPolarHBondContact O-CG2 2.77Å; I9-V11 PolarHBondContact O-N 2.79Å; V11-I13 VanDerWaalsContact C-N 3.31Å; V11-I13 PolarHBondContact O-N 3.46Å; V11-L14 PolarHBondContact O-N 3.19Å; V11-A15 PolarHBondContact O-N 2.83Å
12	P	74.5	Confident	67.5	Low	69 Å²	69	104.8 Å²	104.8	45%	0.448	55%	0.553	S	S	.	*	H	α-helix	trans	-65	-32.4	176.5	23.8	-33	0	0	0	112.8	L8 I9 A15 V16	L8-P12 WeakPolarHBondContact O-CD 3.14Å; L8-P12 WeakPolarHBondContact O-CG 3.22Å; I9-P12 VanDerWaalsContact O-CD 3.31Å; I9-P12 WeakPolarHBondContact O-CD 3.33Å; I9-P12 WeakPolarHBondContact O-CG 3.27Å; P12-A15 PolarHBondContact O-N 3.07Å; P12-V16 WeakPolarHBondContact O-CG2 3.35Å; P12-V16 PolarHBondContact O-N 2.86Å
13	I	77.9	Confident	68.1	Low	92 Å²	92	106.2 Å²	106.2	47%	0.472	55%	0.551	S	S	.	*	H	α-helix	trans	-63.5	-45	173.9	-67.5	172.6	0	0	0	110.8	I9 L10 V11 A15 V16 L17	I9-I13 HydrophobicContact CG2-CD1 3.74Å; I9-I13 WeakPolarHBondContact O-CG1 3.32Å; I9-I13 PolarHBondContact O-N 3.03Å; L10-I13 PolarHBondContact O-N 2.79Å; V11-I13 VanDerWaalsContact C-N 3.31Å; V11-I13 PolarHBondContact O-N 3.46Å; I13-A15 VanDerWaalsContact C-N 3.35Å; I13-A15 PolarHBondContact O-N 3.37Å; I13-V16 PolarHBondContact O-N 2.75Å; I13-L17 HydrophobicContact CG2-CD1 4.07Å; I13-L17 WeakPolarHBondContact O-CG 3.39Å; I13-L17 PolarHBondContact O-N 3.29Å
14	L	76.8	Confident	68.7	Low	102 Å²	102	104.6 Å²	104.6	53%	0.534	54%	0.544	S	S	.	.	H	α-helix	trans	-63.9	-38	174.7	-84.7	162.3	0	0	0	112.5	L10 V11 L17 F18	L10-L14 HydrophobicContact CD2-CD1 3.9Å; L10-L14 HydrophobicContact CG-CD1 4.21Å; L10-L14 PolarHBondContact O-N 2.68Å; V11-L14 PolarHBondContact O-N 3.19Å; L14-L17 PolarHBondContact O-N 3.39Å; L14-F18 WeakPolarHBondContact O-CB 3.21Å; L14-F18 PolarHBondContact O-N 2.82Å
15	A	77	Confident	69.2	Low	54 Å²	54	103.5 Å²	103.5	45%	0.446	54%	0.541	S	S	.	.	H	α-helix	trans	-63.2	-45	174.8	0	0	0	0	0	111.9	V11 P12 I13 F18 V19	V11-A15 PolarHBondContact O-N 2.83Å; P12-A15 PolarHBondContact O-N 3.07Å; I13-A15 VanDerWaalsContact C-N 3.35Å; I13-A15 PolarHBondContact O-N 3.37Å; A15-F18 PolarHBondContact O-N 2.75Å; A15-V19 WeakPolarHBondContact O-CG2 2.9Å; A15-V19 PolarHBondContact O-N 2.94Å
16	V	78.4	Confident	69.6	Low	92 Å²	92	108 Å²	108	56%	0.558	56%	0.56	S	S	*	*	H	α-helix	trans	-62.6	-44.1	175.4	170.3	0	0	0	0	111.2	P12 I13 F18 V19 M20	P12-V16 WeakPolarHBondContact O-CG2 3.35Å; P12-V16 PolarHBondContact O-N 2.86Å; I13-V16 PolarHBondContact O-N 2.75Å; V16-F18 PolarHBondContact O-N 2.8Å; V16-V19 PolarHBondContact O-N 3.25Å; V16-M20 HydrophobicContact CG1-CG 4.37Å; V16-M20 WeakPolarHBondContact O-CB 3.3Å; V16-M20 VanDerWaalsContact O-CG 3.27Å; V16-M20 WeakPolarHBondContact O-CG 3.32Å; V16-M20 PolarHBondContact O-N 3Å
17	L	76.8	Confident	69.6	Low	94 Å²	94	105.9 Å²	105.9	49%	0.492	55%	0.545	S	S	.	.	H	α-helix	trans	-61	-42.3	175.5	-74.6	168.8	0	0	0	112.1	I13 L14 M20 I21	I13-L17 HydrophobicContact CG2-CD1 4.07Å; I13-L17 WeakPolarHBondContact O-CG 3.39Å; I13-L17 PolarHBondContact O-N 3.29Å; L14-L17 PolarHBondContact O-N 3.39Å; L17-M20 PolarHBondContact O-N 3.13Å; L17-I21 VanDerWaalsContact O-CG1 3.28Å; L17-I21 WeakPolarHBondContact O-CG1 3.33Å; L17-I21 PolarHBondContact O-N 3.11Å
18	F	77.8	Confident	69.6	Low	168 Å²	168	102.7 Å²	102.7	74%	0.737	54%	0.54	S	S	*	.	H	α-helix	trans	-66.1	-38.9	178.1	-158.1	-89.6	0	0	0	112.1	L14 A15 V16 G22	L14-F18 WeakPolarHBondContact O-CB 3.21Å; L14-F18 PolarHBondContact O-N 2.82Å; A15-F18 PolarHBondContact O-N 2.75Å; V16-F18 PolarHBondContact O-N 2.8Å; F18-G22 PolarHBondContact O-N 3.35Å
19	V	76.1	Confident	69.1	Low	103 Å²	103	101.9 Å²	101.9	62%	0.624	55%	0.553	S	S	*	*	H	α-helix	trans	-64.7	-41.9	172.6	170	0	0	0	0	111.4	A15 V16 G22 Y23	A15-V19 WeakPolarHBondContact O-CG2 2.9Å; A15-V19 PolarHBondContact O-N 2.94Å; V16-V19 PolarHBondContact O-N 3.25Å; V19-G22 PolarHBondContact O-N 2.83Å; V19-Y23 WeakPolarHBondContact O-CB 3.19Å; V19-Y23 PolarHBondContact O-N 2.78Å
20	M	71	Confident	68.5	Low	105 Å²	105	101.4 Å²	101.4	52%	0.517	57%	0.571	S	S	.	*	H	α-helix	trans	-65.2	-41.6	177.3	-71.9	-67.5	-71.8	0	0	112.5	V16 L17 Y23 Q24	V16-M20 HydrophobicContact CG1-CG 4.37Å; V16-M20 WeakPolarHBondContact O-CB 3.3Å; V16-M20 VanDerWaalsContact O-CG 3.27Å; V16-M20 WeakPolarHBondContact O-CG 3.32Å; V16-M20 PolarHBondContact O-N 3Å; L17-M20 PolarHBondContact O-N 3.13Å; M20-Y23 PolarHBondContact O-N 2.69Å; M20-Q24 WeakPolarHBondContact O-CG 3.46Å; M20-Q24 PolarHBondContact O-N 3.1Å
21	I	73.7	Confident	67.5	Low	97 Å²	97	100.4 Å²	100.4	50%	0.497	57%	0.573	S	S	.	*	H	α-helix	trans	-64.7	-43.3	174.5	-68.3	163.7	0	0	0	110.5	L17 Y23 Q24 Y25	L17-I21 VanDerWaalsContact O-CG1 3.28Å; L17-I21 WeakPolarHBondContact O-CG1 3.33Å; L17-I21 PolarHBondContact O-N 3.11Å; I21-Y23 VanDerWaalsContact C-N 3.34Å; I21-Y23 PolarHBondContact O-N 2.84Å; I21-Q24 PolarHBondContact O-N 2.97Å; I21-Y25 PolarHBondContact O-N 2.97Å; I21-Y25 VanDerWaalsContact O-N 3.09Å
22	G	69.1	Low	66.4	Low	28 Å²	28	103.2 Å²	103.2	29%	0.289	59%	0.585	S	S	.	*	H	α-helix	trans	-60.1	-42.1	173.5	0	0	0	0	0	112.6	F18 V19 Y25 I26	F18-G22 PolarHBondContact O-N 3.35Å; V19-G22 PolarHBondContact O-N 2.83Å; G22-Y25 WeakPolarHBondContact O-CB 3.4Å; G22-Y25 PolarHBondContact O-N 3.48Å; G22-Y25 VanDerWaalsContact O-N 3.16Å; G22-I26 WeakPolarHBondContact O-CD1 3.41Å; G22-I26 VanDerWaalsContact O-CG1 3.3Å; G22-I26 WeakPolarHBondContact O-CG1 3.43Å; G22-I26 PolarHBondContact O-N 3.19Å; G22-I26 VanDerWaalsContact O-N 3.1Å
23	Y	67.1	Low	65	Low	134 Å²	134	104.9 Å²	104.9	53%	0.525	60%	0.598	S	S	.	*	H	α-helix	trans	-64.5	-41.4	177.7	-164.2	-92	0	0	0	112.1	V19 M20 I21 Y25 I26 C27	V19-Y23 WeakPolarHBondContact O-CB 3.19Å; V19-Y23 PolarHBondContact O-N 2.78Å; M20-Y23 PolarHBondContact O-N 2.69Å; I21-Y23 VanDerWaalsContact C-N 3.34Å; I21-Y23 PolarHBondContact O-N 2.84Å; Y23-Y25 VanDerWaalsContact C-N 3.26Å; Y23-Y25 PolarHBondContact O-N 3.01Å; Y23-I26 PolarHBondContact O-N 2.03Å; Y23-I26 VanDerWaalsContact O-N 3.13Å; Y23-C27 HydrophobicContact CE1-CB 4.39Å; Y23-C27 PolarHBondContact O-N 3.22Å
24	Q	65.8	Low	63.3	Low	127 Å²	127	103.7 Å²	103.7	59%	0.593	60%	0.597	S	S	*	*	H	α-helix	trans	-63.8	-29.5	173.2	-72.8	175.8	-9.8	0	0	113.1	M20 I21	M20-Q24 WeakPolarHBondContact O-CG 3.46Å; M20-Q24 PolarHBondContact O-N 3.1Å; I21-Q24 PolarHBondContact O-N 2.97Å
25	Y	63.3	Low	61.7	Low	206 Å²	206	107.3 Å²	107.3	81%	0.808	61%	0.61	S	S	*	*	H	α-helix	trans	-77.1	-21.1	174	-118.3	-84.7	0	0	0	113.8	I21 G22 Y23	I21-Y25 PolarHBondContact O-N 2.97Å; I21-Y25 VanDerWaalsContact O-N 3.09Å; G22-Y25 WeakPolarHBondContact O-CB 3.4Å; G22-Y25 PolarHBondContact O-N 3.48Å; G22-Y25 VanDerWaalsContact O-N 3.16Å; Y23-Y25 VanDerWaalsContact C-N 3.26Å; Y23-Y25 PolarHBondContact O-N 3.01Å
26	I	61.8	Low	59.5	Low	134 Å²	134	114.2 Å²	114.2	69%	0.687	63%	0.631	S	S	*	*	H	α-helix	trans	-96.9	-40	-178	-68	165.1	0	0	0	111.5	G22 Y23	G22-I26 WeakPolarHBondContact O-CD1 3.41Å; G22-I26 VanDerWaalsContact O-CG1 3.3Å; G22-I26 WeakPolarHBondContact O-CG1 3.43Å; G22-I26 PolarHBondContact O-N 3.19Å; G22-I26 VanDerWaalsContact O-N 3.1Å; Y23-I26 PolarHBondContact O-N 2.03Å; Y23-I26 VanDerWaalsContact O-N 3.13Å
27	C	56.8	Low	57.2	Low	30 Å²	30	119.6 Å²	119.6	20%	0.203	65%	0.647	C	S	.	*	S	Bend	trans	-123.4	90.2	174.5	-67.5	0	0	0	0	109.5	Y23 C34	Y23-C27 HydrophobicContact CE1-CB 4.39Å; Y23-C27 PolarHBondContact O-N 3.22Å; C27-C34 HydrophobicContact CB-CB 4.29Å; C27-C34 WeakPolarHBondContact CB-SG 3.41Å; C27-C34 WeakPolarHBondContact SG-CB 3.49Å; C27-C34 CovalentContact SG-SG 2.05Å; C27-C34 PolarHBondContact SG-SG 3.45Å
28	P	53.6	Low	55	Low	86 Å²	86	120.2 Å²	120.2	56%	0.558	66%	0.659	S	S	*	*			trans	-59.9	143.8	178.1	-24.3	34.9	0	0	0	112.6	G30	P28-G30 PolarHBondContact O-N 3.21Å
29	A	50.3	Low	52.8	Low	117 Å²	117	119.1 Å²	119.1	97%	0.967	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	92.3	179.8	0	0	0	0	0	111.5
30	G	52.5	Low	50.6	Low	84 Å²	84	123.7 Å²	123.7	87%	0.866	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	175.9	-17.7	179.7	0	0	0	0	0	115.6	P28	P28-G30 PolarHBondContact O-N 3.21Å
31	S	44.9	Very low	48.5	Very low	84 Å²	84	128.5 Å²	128.5	59%	0.587	68%	0.683	S	S	*	*			trans	-121.5	126.7	178.1	56	0	0	0	0	112.2
32	N	48.8	Very low	46.4	Very low	162 Å²	162	134.2 Å²	134.2	87%	0.866	71%	0.705	S	S	*	*	S	Bend	trans	-71.5	149.9	176	-67.5	-32.8	0	0	0	111.8
33	S	46.1	Very low	44.5	Very low	103 Å²	103	144.4 Å²	144.4	72%	0.72	73%	0.734	S	S	*	*			trans	68.7	87.2	175.7	66.8	0	0	0	0	118.2
34	C	42.3	Very low	42.6	Very low	67 Å²	67	141.7 Å²	141.7	45%	0.453	75%	0.747	S	S	.	*			trans	-97.7	89.8	155.2	-76.1	0	0	0	0	109.1	C27	C27-C34 HydrophobicContact CB-CB 4.29Å; C27-C34 WeakPolarHBondContact CB-SG 3.41Å; C27-C34 WeakPolarHBondContact SG-CB 3.49Å; C27-C34 CovalentContact SG-SG 2.05Å; C27-C34 PolarHBondContact SG-SG 3.45Å
35	H	41.4	Very low	40.8	Very low	178 Å²	178	141.7 Å²	141.7	82%	0.824	76%	0.756	S	S	*	*			trans	-89.1	121.6	179.2	-101.3	-73.9	0	0	0	112.2
36	F	32.1	Very low	39	Very low	199 Å²	199	137.8 Å²	137.8	87%	0.873	76%	0.758	S	S	*	*			trans	-85.4	114.1	171.7	-142.8	-90.5	0	0	0	109.5
37	K	29.9	Very low	37.7	Very low	205 Å²	205	138.6 Å²	138.6	89%	0.891	76%	0.764	S	S	*	*			trans	-81.4	122.5	172.9	-88.2	-167.1	171.6	-170	0	110.3
38	S	30.9	Very low	36.3	Very low	108 Å²	108	145.6 Å²	145.6	76%	0.755	80%	0.798	S	S	*	*			trans	-123.5	163.1	167	-168.7	0	0	0	0	109.2
39	E	31.1	Very low	35.2	Very low	144 Å²	144	146.9 Å²	146.9	67%	0.673	81%	0.809	S	S	*	*			trans	56.3	106.3	-173.9	-70.9	-164.3	90.6	0	0	116.9	R41	E39-R41 IonicContact OE1-NE 2.73Å
40	E	29.9	Very low	34.1	Very low	199 Å²	199	146.9 Å²	146.9	93%	0.93	80%	0.802	S	S	*	*				-119.5	148.2	122.5	-80.1	-161.7	141.2	0	0	108.8
41	R	28	Very low	33.4	Very low	207 Å²	207	147.7 Å²	147.7	78%	0.781	79%	0.792	S	S	*	*			trans	-89.5	133.6	-166.2	-70.9	174.3	172.4	172.1	-6.1	112.4	E39 R43	E39-R41 IonicContact OE1-NE 2.73Å; R41-R43 PolarHBondContact O-N 2.79Å
42	F	29.3	Very low	32.8	Very low	217 Å²	217	154.4 Å²	154.4	95%	0.952	81%	0.806	S	S	*	*			trans	-57.1	127.8	158.1	-88.6	-94.5	0	0	0	110.3
43	R	28.3	Very low	32	Very low	241 Å²	241	156 Å²	156	91%	0.909	81%	0.808	S	S	*	*			trans	-148.7	122.4	168.7	-138.1	-177.4	-171	-163.3	1.5	111.7	R41	R41-R43 PolarHBondContact O-N 2.79Å
44	G	27.6	Very low	31.3	Very low	77 Å²	77	157.8 Å²	157.8	79%	0.794	81%	0.81	S	S	*	*			trans	62.6	92.7	155.4	0	0	0	0	0	117.5
45	V	28.4	Very low	30.9	Very low	128 Å²	128	158.8 Å²	158.8	78%	0.776	82%	0.823	S	S	*	*			trans	-62.8	135.6	160.6	172.8	0	0	0	0	110.2	L47	V45-L47 HydrophobicContact CG1-CD1 4.38Å; V45-L47 HydrophobicContact CG1-CG 3.79Å
46	S	25.4	Very low	30.8	Very low	123 Å²	123	155.3 Å²	155.3	86%	0.86	81%	0.81	S	S	*	*			trans	-128.3	115	151.4	-88.8	0	0	0	0	108.6
47	L	33.4	Very low	31.3	Very low	152 Å²	152	152.1 Å²	152.1	80%	0.796	80%	0.803	S	S	*	*			trans	-84.1	121.1	178.4	-75.3	162	0	0	0	110.3	V45	V45-L47 HydrophobicContact CG1-CD1 4.38Å; V45-L47 HydrophobicContact CG1-CG 3.79Å
48	L	29.2	Very low	31.5	Very low	176 Å²	176	151.8 Å²	151.8	92%	0.921	80%	0.802	S	S	*	*			trans	-143.4	119.7	155.2	-108.4	170.1	0	0	0	108.9
49	S	30.4	Very low	31.9	Very low	114 Å²	114	156.7 Å²	156.7	80%	0.797	81%	0.805	S	S	*	*			trans	-87.5	132.9	-163.8	-50.6	0	0	0	0	112.9
50	S	26.7	Very low	32.6	Very low	116 Å²	116	158.3 Å²	158.3	81%	0.811	81%	0.805	S	S	*	*			trans	-143.8	110.6	160.1	-168	0	0	0	0	109.5
51	P	37.6	Very low	33.5	Very low	102 Å²	102	150.6 Å²	150.6	66%	0.662	77%	0.77	S	S	*	*			trans	-80.5	160.9	175.6	33.7	-33.7	0	0	0	111.4
52	Y	32.2	Very low	34.4	Very low	224 Å²	224	145.3 Å²	145.3	88%	0.878	77%	0.765	S	S	*	*			trans	66.8	70.8	-179.8	-60.2	-81.9	0	0	0	116.1
53	Q	32.5	Very low	35.3	Very low	196 Å²	196	140.6 Å²	140.6	92%	0.916	75%	0.749	S	S	*	*			trans	-109	133.1	131.8	-75.3	-172.6	-34.8	0	0	108.1
54	D	30.8	Very low	36.7	Very low	140 Å²	140	129.8 Å²	129.8	75%	0.749	71%	0.71	S	S	*	*			trans	-78.2	133.8	-175.8	-161.1	-7.2	0	0	0	110.3	D56	D54-D56 VanDerWaalsContact C-N 3.31Å; D54-D56 PolarHBondContact O-N 2.04Å
55	A	33.8	Very low	37.8	Very low	89 Å²	89	128.8 Å²	128.8	74%	0.736	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-81.2	-8.2	-166.9	0	0	0	0	0	114.1
56	D	40.1	Very low	39.1	Very low	104 Å²	104	127.1 Å²	127.1	56%	0.556	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-74.2	-19.1	-179.5	-95	-1.4	0	0	0	113.5	D54 F58 R119	D54-D56 VanDerWaalsContact C-N 3.31Å; D54-D56 PolarHBondContact O-N 2.04Å; D56-F58 VanDerWaalsContact C-N 3.29Å; D56-F58 PolarHBondContact O-N 3.25Å; D56-R119 IonicContact OD2-NH1 2.75Å
57	D	41.2	Very low	40.1	Very low	133 Å²	133	126.1 Å²	126.1	71%	0.711	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-78.6	-1.6	-172.3	-151.4	40.5	0	0	0	114.7
58	F	33.8	Very low	41	Very low	198 Å²	198	120.3 Å²	120.3	87%	0.868	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-87.9	-10.9	179.3	-148.8	-96.7	0	0	0	114	D56 R60	D56-F58 VanDerWaalsContact C-N 3.29Å; D56-F58 PolarHBondContact O-N 3.25Å; F58-R60 PolarHBondContact O-N 2.86Å
59	Y	39.3	Very low	42.1	Very low	211 Å²	211	117.2 Å²	117.2	83%	0.827	63%	0.625	S	S	*	*			trans	-80.3	61	173.9	-82.7	-73.9	0	0	0	112.3	D61	Y59-D61 PolarHBondContact O-N 3.22Å; Y59-D61 VanDerWaalsContact O-N 3.1Å
60	R	46.2	Very low	43.1	Very low	177 Å²	177	114.8 Å²	114.8	67%	0.668	61%	0.607	S	S	*	*			trans	-71.4	103.7	171	-171.1	171.7	172.8	168.4	0.3	109.7	F58 S62 D65	F58-R60 PolarHBondContact O-N 2.86Å; R60-S62 PolarHBondContact O-N 3.31Å; R60-D65 IonicContact CZ-OD2 2.73Å; R60-D65 IonicContact NE-OD2 4Å; R60-D65 PolarHBondContact NE-OD2 3.11Å; R60-D65 IonicContact NH2-OD2 2.59Å; R60-D65 PolarHBondContact NH2-OD2 2.94Å; R60-D65 VanDerWaalsContact NH2-OD2 3.08Å
61	D	49.1	Very low	44.5	Very low	37 Å²	37	117 Å²	117	20%	0.198	60%	0.602	C	S	.	*			trans	-71.3	90.5	-170.2	-161.5	31	0	0	0	111.9	Y59 D63 L64 R304	Y59-D61 PolarHBondContact O-N 3.22Å; Y59-D61 VanDerWaalsContact O-N 3.1Å; D61-D63 PolarHBondContact O-N 3Å; D61-L64 HydrophobicContact CB-CB 4.49Å; D61-L64 HydrophobicContact CB-CD1 4.08Å; D61-L64 HydrophobicContact CB-CG 4.15Å; D61-L64 WeakPolarHBondContact O-CB 3.06Å; D61-L64 PolarHBondContact O-N 2.61Å; D61-L64 VanDerWaalsContact OD2-CD1 3.25Å; D61-L64 WeakPolarHBondContact OD2-CD1 2.98Å; D61-L64 VanDerWaalsContact OD2-CG 3.25Å; D61-L64 WeakPolarHBondContact OD2-CG 3.44Å; D61-R304 IonicContact OD1-CZ 3.88Å; D61-R304 IonicContact OD1-NE 3.24Å; D61-R304 PolarHBondContact OD1-NE 3.21Å; D61-R304 IonicContact OD1-NH2 3.71Å; D61-R304 PolarHBondContact OD1-NH2 2.95Å; D61-R304 IonicContact OD2-CZ 3.15Å; D61-R304 IonicContact OD2-NE 2.77Å; D61-R304 PolarHBondContact OD2-NE 3.05Å; D61-R304 IonicContact OD2-NH2 3.26Å; D61-R304 PolarHBondContact OD2-NH2 2.68Å
62	S	46.3	Very low	45.4	Very low	96 Å²	96	116.8 Å²	116.8	67%	0.671	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-54.3	-27	-177.6	52.1	0	0	0	0	113.9	R60 L64 D65	R60-S62 PolarHBondContact O-N 3.31Å; S62-L64 PolarHBondContact O-N 2.79Å; S62-D65 PolarHBondContact O-N 3.04Å
63	D	48.6	Very low	46.8	Very low	118 Å²	118	111.3 Å²	111.3	63%	0.631	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-71.9	-6.1	177	-66.7	1.5	0	0	0	113.6	D61	D61-D63 PolarHBondContact O-N 3Å
64	L	58.5	Low	48.8	Very low	14 Å²	14	105 Å²	105	7%	0.073	57%	0.568	C	S	.	*	G	3₁₀ helix	trans	-108.9	-14.2	175.3	-60.8	-175.7	0	0	0	113.9	D61 S62 D66 R304 K305 Y308 F365	D61-L64 HydrophobicContact CB-CB 4.49Å; D61-L64 HydrophobicContact CB-CD1 4.08Å; D61-L64 HydrophobicContact CB-CG 4.15Å; D61-L64 WeakPolarHBondContact O-CB 3.06Å; D61-L64 PolarHBondContact O-N 2.61Å; D61-L64 VanDerWaalsContact OD2-CD1 3.25Å; D61-L64 WeakPolarHBondContact OD2-CD1 2.98Å; D61-L64 VanDerWaalsContact OD2-CG 3.25Å; D61-L64 WeakPolarHBondContact OD2-CG 3.44Å; S62-L64 PolarHBondContact O-N 2.79Å; L64-D66 PolarHBondContact O-N 3.39Å; L64-R304 HydrophobicContact CD2-CB 4.14Å; L64-K305 HydrophobicContact CD2-CG 3.65Å; L64-Y308 HydrophobicContact CD1-CD2 4.2Å; L64-F365 HydrophobicContact CB-CZ 4.31Å; L64-F365 HydrophobicContact CD1-CE2 4.43Å; L64-F365 HydrophobicContact CD1-CZ 4.47Å; L64-F365 HydrophobicContact CD2-CE2 4.1Å; L64-F365 HydrophobicContact CD2-CZ 3.91Å; L64-F365 HydrophobicContact CG-CZ 4.46Å
65	D	50.1	Low	51.3	Low	57 Å²	57	104.6 Å²	104.6	31%	0.305	56%	0.56	S	S	.	*			trans	-80.6	34.4	-171.7	-81	4.8	0	0	0	113.9	R60 S62 D67 R369	R60-D65 IonicContact CZ-OD2 2.73Å; R60-D65 IonicContact NE-OD2 4Å; R60-D65 PolarHBondContact NE-OD2 3.11Å; R60-D65 IonicContact NH2-OD2 2.59Å; R60-D65 PolarHBondContact NH2-OD2 2.94Å; R60-D65 VanDerWaalsContact NH2-OD2 3.08Å; S62-D65 PolarHBondContact O-N 3.04Å; D65-D67 PolarHBondContact O-N 3Å; D65-R369 IonicContact OD1-CZ 3.76Å; D65-R369 IonicContact OD1-NH2 2.64Å; D65-R369 PolarHBondContact OD1-NH2 3.31Å
66	D	55.3	Low	54	Low	93 Å²	93	103.7 Å²	103.7	50%	0.497	54%	0.539	S	S	.	.			trans	-76.1	75.8	160.4	-163.1	17.3	0	0	0	108.7	L64 G68 K71	L64-D66 PolarHBondContact O-N 3.39Å; D66-G68 PolarHBondContact O-N 3.35Å; D66-G68 VanDerWaalsContact O-N 3.13Å; D66-K71 WeakPolarHBondContact OD1-CE 3.17Å; D66-K71 IonicContact OD1-NZ 2.71Å; D66-K71 PolarHBondContact OD1-NZ 3.35Å; D66-K71 IonicContact OD2-NZ 3.58Å; D66-K71 PolarHBondContact OD2-NZ 2.97Å
67	D	47.9	Very low	56.4	Low	101 Å²	101	106.6 Å²	106.6	54%	0.54	55%	0.554	S	S	.	*			trans	-70.3	1.9	-175.7	-86	0	0	0	0	114.5	D65 R369	D65-D67 PolarHBondContact O-N 3Å; D67-R369 IonicContact OD1-CZ 3.48Å; D67-R369 IonicContact OD1-NH1 2.96Å; D67-R369 PolarHBondContact OD1-NH1 2.65Å; D67-R369 IonicContact OD1-NH2 3.14Å; D67-R369 PolarHBondContact OD1-NH2 3.39Å
68	G	51.2	Low	59	Low	31 Å²	31	101.1 Å²	101.1	32%	0.32	52%	0.524	S	S	.	.	S	Bend	trans	-69.4	155.4	175	0	0	0	0	0	113.3	D66	D66-G68 PolarHBondContact O-N 3.35Å; D66-G68 VanDerWaalsContact O-N 3.13Å
69	P	51.6	Low	62	Low	110 Å²	110	95.4 Å²	95.4	71%	0.714	51%	0.506	S	S	*	.	S	Bend	trans	-55.6	155.7	157.9	28.8	-35	0	0	0	109.4	K71	P69-K71 PolarHBondContact O-N 3.42Å; P69-K71 VanDerWaalsContact O-N 3.12Å
70	P	52.7	Low	64.6	Low	63 Å²	63	91.4 Å²	91.4	41%	0.409	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-57.8	123.9	-175.2	25.6	-33	0	0	0	110.6	V72	P70-V72 WeakPolarHBondContact CB-O 3.18Å; P70-V72 CarbonylContact O-C 3.49Å; P70-V72 PolarHBondContact O-N 3.42Å
71	K	55.4	Low	66.9	Low	162 Å²	162	93.2 Å²	93.2	70%	0.704	50%	0.501	S	S	*	.	S	Bend	trans	-64.5	-2.3	-178.6	-66.9	168.4	-176.5	149.2	0	113.9	D66 P69	D66-K71 WeakPolarHBondContact OD1-CE 3.17Å; D66-K71 IonicContact OD1-NZ 2.71Å; D66-K71 PolarHBondContact OD1-NZ 3.35Å; D66-K71 IonicContact OD2-NZ 3.58Å; D66-K71 PolarHBondContact OD2-NZ 2.97Å; P69-K71 PolarHBondContact O-N 3.42Å; P69-K71 VanDerWaalsContact O-N 3.12Å
72	V	56.2	Low	69.2	Low	99 Å²	99	92.2 Å²	92.2	60%	0.6	50%	0.496	S	S	*	.	S	Bend	trans	-124.4	128	169.2	-177.3	0	0	0	0	105.8	P70	P70-V72 WeakPolarHBondContact CB-O 3.18Å; P70-V72 CarbonylContact O-C 3.49Å; P70-V72 PolarHBondContact O-N 3.42Å
73	P	63	Low	71.6	Confident	108 Å²	108	88.5 Å²	88.5	70%	0.701	47%	0.469	S	S	*	.			trans	-61.4	142.9	176	26.3	-34.1	0	0	0	110.6	K75	P73-K75 PolarHBondContact O-N 3.15Å
74	S	73.8	Confident	73.7	Confident	63 Å²	63	85.3 Å²	85.3	44%	0.441	45%	0.452	S	S	.	.			trans	-49.9	127.7	169.7	167.6	0	0	0	0	110	F76 Q363	S74-F76 PolarHBondContact OG-O 2.83Å; S74-Q363 PolarHBondContact OG-NE2 3.27Å
75	K	82.4	Confident	75.4	Confident	133 Å²	133	86.9 Å²	86.9	58%	0.578	46%	0.457	S	S	*	.	S	Bend	trans	-93.5	-30	176.9	-71	-169.8	173.6	-167.5	0	111.5	P73 E355 D359	P73-K75 PolarHBondContact O-N 3.15Å; K75-E355 VanDerWaalsContact CD-OE1 3.29Å; K75-E355 WeakPolarHBondContact CD-OE1 3.42Å; K75-E355 WeakPolarHBondContact CE-OE1 3.38Å; K75-E355 IonicContact NZ-OE1 2.72Å; K75-E355 PolarHBondContact NZ-OE1 3.09Å; K75-D359 PolarHBondContact N-OD2 2.88Å
76	F	90.7	Very high	77.5	Confident	70 Å²	70	88 Å²	88	31%	0.307	46%	0.46	S	S	.	.	S	Bend	trans	-120	125.3	-179.3	-58.4	-83.1	0	0	0	110.7	S74 F78 E355 Y356 D359 Q363	S74-F76 PolarHBondContact OG-O 2.83Å; F76-F78 HydrophobicContact CB-CD2 4.27Å; F76-F78 HydrophobicContact CB-CE1 4.13Å; F76-F78 HydrophobicContact CB-CE2 3.54Å; F76-F78 HydrophobicContact CB-CZ 3.45Å; F76-F78 VanDerWaalsContact CB-CZ 3.45Å; F76-F78 HydrophobicContact CD2-CZ 4.49Å; F76-F78 HydrophobicContact CG-CZ 4.16Å; F76-F78 WeakPolarHBondContact O-CD2 3.4Å; F76-F78 PolarHBondContact O-N 2.76Å; F76-E355 HydrophobicContact CE2-CG 4.41Å; F76-Y356 AromaticContact CD1-CD2 3.96Å; F76-Y356 HydrophobicContact CD1-CD2 3.96Å; F76-Y356 HydrophobicContact CD1-CE2 4.47Å; F76-Y356 HydrophobicContact CD2-CD2 4.12Å; F76-Y356 HydrophobicContact CE1-CD2 4.07Å; F76-Y356 HydrophobicContact CE2-CD2 4.23Å; F76-Y356 AromaticContact CG-CD2 3.98Å; F76-Y356 HydrophobicContact CG-CD2 3.98Å; F76-Y356 HydrophobicContact CZ-CD2 4.2Å; F76-D359 HydrophobicContact CD2-CB 4.13Å; F76-D359 PolarHBondContact N-OD2 3.49Å; F76-Q363 PolarHBondContact O-NE2 3.34Å
77	N	91.6	Very high	79.3	Confident	164 Å²	164	84.2 Å²	84.2	88%	0.877	44%	0.44	S	S	*	.			trans	-78.4	100.1	176.1	-173.4	4.5	0	0	0	109.8
78	F	96	Very high	81.5	Confident	19 Å²	19	85.8 Å²	85.8	8%	0.083	44%	0.444	C	S	.	.			trans	-92.4	140.8	179	-67.9	-63.2	0	0	0	111.5	F76 D82 L83 Y356 D359 L360	F76-F78 HydrophobicContact CB-CD2 4.27Å; F76-F78 HydrophobicContact CB-CE1 4.13Å; F76-F78 HydrophobicContact CB-CE2 3.54Å; F76-F78 HydrophobicContact CB-CZ 3.45Å; F76-F78 VanDerWaalsContact CB-CZ 3.45Å; F76-F78 HydrophobicContact CD2-CZ 4.49Å; F76-F78 HydrophobicContact CG-CZ 4.16Å; F76-F78 WeakPolarHBondContact O-CD2 3.4Å; F76-F78 PolarHBondContact O-N 2.76Å; F78-D82 HydrophobicContact CB-CB 4.08Å; F78-D82 HydrophobicContact CD1-CB 4.24Å; F78-L83 HydrophobicContact CB-CD2 3.77Å; F78-L83 HydrophobicContact CB-CG 4.12Å; F78-L83 HydrophobicContact CD2-CD2 4.44Å; F78-L83 HydrophobicContact CG-CD2 4.35Å; F78-Y356 HydrophobicContact CE1-CD2 4.28Å; F78-Y356 AromaticContact CE1-CE2 3.53Å; F78-Y356 HydrophobicContact CE1-CE2 3.53Å; F78-Y356 AromaticContact CE1-CZ 3.68Å; F78-Y356 AromaticContact CZ-CD2 3.96Å; F78-Y356 HydrophobicContact CZ-CD2 3.96Å; F78-Y356 AromaticContact CZ-CE2 3.68Å; F78-Y356 HydrophobicContact CZ-CE2 3.68Å; F78-D359 HydrophobicContact CE2-CB 4.35Å; F78-L360 HydrophobicContact CB-CD1 4.49Å; F78-L360 HydrophobicContact CD1-CD1 3.84Å; F78-L360 HydrophobicContact CD2-CB 4.26Å; F78-L360 HydrophobicContact CD2-CD1 3.96Å; F78-L360 HydrophobicContact CE1-CB 4.15Å; F78-L360 HydrophobicContact CE1-CD1 4.02Å; F78-L360 HydrophobicContact CE1-CD2 4.36Å; F78-L360 HydrophobicContact CE1-CG 4.4Å; F78-L360 HydrophobicContact CE2-CB 3.62Å; F78-L360 HydrophobicContact CE2-CD1 4.15Å; F78-L360 HydrophobicContact CE2-CG 4.46Å; F78-L360 HydrophobicContact CG-CD1 3.82Å; F78-L360 HydrophobicContact CZ-CB 3.57Å; F78-L360 HydrophobicContact CZ-CD1 4.19Å; F78-L360 HydrophobicContact CZ-CG 4.3Å
79	T	96.3	Very high	83.6	Confident	78 Å²	78	85.4 Å²	85.4	48%	0.479	43%	0.434	S	S	.	.			trans	-74.8	160.2	174.5	71.1	0	0	0	0	110.7	R81 D82 L83	T79-R81 PolarHBondContact O-N 2.9Å; T79-R81 VanDerWaalsContact O-N 3.16Å; T79-R81 PolarHBondContact OG1-N 2.75Å; T79-D82 WeakPolarHBondContact CB-OD2 3.46Å; T79-D82 PolarHBondContact N-OD2 2.89Å; T79-D82 WeakPolarHBondContact O-CA 3.03Å; T79-D82 WeakPolarHBondContact O-CB 3.03Å; T79-D82 PolarHBondContact O-N 2.94Å; T79-D82 VanDerWaalsContact OG1-CG 3.24Å; T79-D82 PolarHBondContact OG1-N 3.37Å; T79-D82 PolarHBondContact OG1-OD2 3.32Å; T79-L83 PolarHBondContact O-N 3.44Å; T79-L83 VanDerWaalsContact O-N 3.14Å
80	E	94.7	Very high	85.7	Confident	126 Å²	126	84.2 Å²	84.2	59%	0.589	42%	0.421	S	S	*	.	H	α-helix	trans	-54.7	-33.9	171.2	-178	166.5	-135.5	0	0	112	D82 L83 D84 Y367	E80-D82 PolarHBondContact O-N 3.11Å; E80-L83 PolarHBondContact O-N 3.35Å; E80-D84 PolarHBondContact O-N 3.31Å; E80-Y367 HydrophobicContact CG-CE2 4.02Å; E80-Y367 WeakPolarHBondContact CG-OH 3.47Å; E80-Y367 WeakPolarHBondContact OE1-CE2 3.46Å; E80-Y367 PolarHBondContact OE1-OH 3.42Å
81	R	94.6	Very high	87.7	Confident	215 Å²	215	82.7 Å²	82.7	81%	0.811	41%	0.409	S	S	*	.	H	α-helix	trans	-69.4	-12.3	174	-63	-176.9	-179.7	178.1	0.3	114.4	T79 R85	T79-R81 PolarHBondContact O-N 2.9Å; T79-R81 VanDerWaalsContact O-N 3.16Å; T79-R81 PolarHBondContact OG1-N 2.75Å; R81-R85 PolarHBondContact O-NH1 3Å; R81-R85 PolarHBondContact O-NH2 3Å
82	D	96	Very high	89.5	Confident	16 Å²	16	79.7 Å²	79.7	9%	0.086	40%	0.396	C	S	.	.	H	α-helix	trans	-94.6	-29.8	172.5	-58.4	-52.8	0	0	0	111.7	F78 T79 E80 K292 L360 R364	F78-D82 HydrophobicContact CB-CB 4.08Å; F78-D82 HydrophobicContact CD1-CB 4.24Å; T79-D82 WeakPolarHBondContact CB-OD2 3.46Å; T79-D82 PolarHBondContact N-OD2 2.89Å; T79-D82 WeakPolarHBondContact O-CA 3.03Å; T79-D82 WeakPolarHBondContact O-CB 3.03Å; T79-D82 PolarHBondContact O-N 2.94Å; T79-D82 VanDerWaalsContact OG1-CG 3.24Å; T79-D82 PolarHBondContact OG1-N 3.37Å; T79-D82 PolarHBondContact OG1-OD2 3.32Å; E80-D82 PolarHBondContact O-N 3.11Å; D82-K292 HydrophobicContact CB-CD 4.36Å; D82-K292 HydrophobicContact CB-CG 4.49Å; D82-K292 WeakPolarHBondContact OD1-CD 3.41Å; D82-K292 WeakPolarHBondContact OD1-CE 3.28Å; D82-K292 IonicContact OD1-NZ 2.73Å; D82-K292 PolarHBondContact OD1-NZ 2.84Å; D82-K292 IonicContact OD2-NZ 2.92Å; D82-L360 HydrophobicContact CB-CD1 4.45Å; D82-R364 VanDerWaalsContact O-CZ 3.26Å; D82-R364 PolarHBondContact O-NE 2.83Å; D82-R364 PolarHBondContact O-NH2 2.8Å
83	L	96.3	Very high	91.2	Very high	19 Å²	19	75.7 Å²	75.7	10%	0.099	38%	0.375	C	S	.	.	H	α-helix	trans	-85.2	-39.9	179.4	-58.9	-174.3	0	0	0	113	F78 T79 E80 R85 L360 Q363 R364 Y367	F78-L83 HydrophobicContact CB-CD2 3.77Å; F78-L83 HydrophobicContact CB-CG 4.12Å; F78-L83 HydrophobicContact CD2-CD2 4.44Å; F78-L83 HydrophobicContact CG-CD2 4.35Å; T79-L83 PolarHBondContact O-N 3.44Å; T79-L83 VanDerWaalsContact O-N 3.14Å; E80-L83 PolarHBondContact O-N 3.35Å; L83-R85 PolarHBondContact O-N 2.71Å; L83-L360 HydrophobicContact CD2-CD1 4.01Å; L83-Q363 HydrophobicContact CD1-CB 4.47Å; L83-Q363 HydrophobicContact CD2-CB 3.61Å; L83-R364 HydrophobicContact CD2-CG 4.22Å; L83-R364 WeakPolarHBondContact O-CG 3.38Å; L83-Y367 HydrophobicContact CB-CD1 4.05Å; L83-Y367 HydrophobicContact CB-CD2 4.42Å; L83-Y367 HydrophobicContact CB-CG 3.94Å; L83-Y367 HydrophobicContact CD1-CD2 4.34Å; L83-Y367 HydrophobicContact CD1-CG 4.34Å
84	D	93.9	Very high	92.6	Very high	51 Å²	51	72.1 Å²	72.1	27%	0.273	35%	0.35	S	S	.	.			trans	-77.4	112.1	177.1	-163.7	9.5	0	0	0	110.9	E80 Y367 R371	E80-D84 PolarHBondContact O-N 3.31Å; D84-Y367 HydrophobicContact CB-CE1 3.84Å; D84-R371 IonicContact OD1-CZ 3.74Å; D84-R371 IonicContact OD1-NH1 2.83Å; D84-R371 PolarHBondContact OD1-NH1 3.17Å; D84-R371 IonicContact OD1-NH2 3.89Å; D84-R371 PolarHBondContact OD1-NH2 2.82Å; D84-R371 IonicContact OD2-CZ 3.05Å; D84-R371 IonicContact OD2-NH1 3.35Å; D84-R371 PolarHBondContact OD2-NH1 2.8Å; D84-R371 IonicContact OD2-NH2 2.71Å; D84-R371 PolarHBondContact OD2-NH2 3.34Å
85	R	94.4	Very high	93.6	Very high	47 Å²	47	69.6 Å²	69.6	18%	0.177	33%	0.332	C	S	.	.			trans	-120.4	91.2	171.9	-76.3	-69.3	169.5	-79.5	2.5	108.7	R81 L83 K292 M294 A295 T313 R364	R81-R85 PolarHBondContact O-NH1 3Å; R81-R85 PolarHBondContact O-NH2 3Å; L83-R85 PolarHBondContact O-N 2.71Å; R85-K292 PolarHBondContact NE-O 3.1Å; R85-K292 PolarHBondContact NH2-O 3.24Å; R85-M294 PolarHBondContact NE-O 2.86Å; R85-A295 WeakPolarHBondContact CB-O 3.24Å; R85-A295 WeakPolarHBondContact CD-O 3.36Å; R85-T313 HydrophobicContact CB-CG2 4.42Å; R85-T313 VanDerWaalsContact O-CA 3.29Å; R85-T313 WeakPolarHBondContact O-CA 3.28Å; R85-T313 WeakPolarHBondContact O-CB 3.36Å; R85-T313 PolarHBondContact O-OG1 3.08Å; R85-R364 VanDerWaalsContact CZ-NH2 3.33Å
86	H	93	Very high	94.3	Very high	81 Å²	81	63.3 Å²	63.3	38%	0.375	30%	0.304	S	S	.	.			trans	-119.5	134.9	175.5	-159.9	56	0	0	0	111.1	R312 R315	H86-R312 PolarHBondContact ND1-O 3.46Å; H86-R315 PolarHBondContact CE1-NE 2.93Å; H86-R315 VanDerWaalsContact CE1-NE 3.34Å; H86-R315 VanDerWaalsContact NE2-CZ 3.26Å; H86-R315 PolarHBondContact NE2-NE 3.41Å; H86-R315 PolarHBondContact NE2-NH2 3.23Å
87	V	94.3	Very high	94.7	Very high	13 Å²	13	60 Å²	60	8%	0.079	29%	0.29	C	S	.	.			trans	-134.8	122.4	-177.2	-179.1	0	0	0	0	108.5	F89 Y185 A295 T313 F314	V87-F89 HydrophobicContact CG1-CB 4.11Å; V87-F89 PolarHBondContact O-N 2.96Å; V87-Y185 HydrophobicContact CG1-CD1 3.84Å; V87-Y185 HydrophobicContact CG1-CD2 3.94Å; V87-Y185 HydrophobicContact CG1-CE1 3.49Å; V87-Y185 VanDerWaalsContact CG1-CE1 3.49Å; V87-Y185 HydrophobicContact CG1-CE2 3.58Å; V87-Y185 HydrophobicContact CG1-CG 4.07Å; V87-Y185 HydrophobicContact CG2-CD1 4.24Å; V87-Y185 HydrophobicContact CG2-CE1 4.27Å; V87-A295 HydrophobicContact CG2-CB 4.19Å; V87-T313 HydrophobicContact CB-CG2 4.42Å; V87-T313 WeakPolarHBondContact CB-O 3.49Å; V87-T313 HydrophobicContact CG2-CG2 3.87Å; V87-T313 PolarHBondContact N-O 2.82Å; V87-F314 HydrophobicContact CB-CD1 4.05Å; V87-F314 HydrophobicContact CB-CE1 4.27Å; V87-F314 HydrophobicContact CG1-CD1 4.14Å; V87-F314 HydrophobicContact CG1-CE1 4.27Å; V87-F314 HydrophobicContact CG2-CD1 4.47Å; V87-F314 HydrophobicContact CG2-CE1 4.25Å
88	E	93.4	Very high	95	Very high	134 Å²	134	52.1 Å²	52.1	63%	0.626	25%	0.248	S	C	*	.			trans	-80.2	60.2	175.6	-58.1	-148.8	114	0	0	111.1	N90 R315	E88-N90 PolarHBondContact O-N 2.84Å; E88-N90 VanDerWaalsContact O-N 3.11Å; E88-R315 IonicContact OE1-CZ 2.69Å; E88-R315 IonicContact OE1-NH1 3.25Å; E88-R315 PolarHBondContact OE1-NH1 3.18Å; E88-R315 IonicContact OE1-NH2 2.71Å; E88-R315 PolarHBondContact OE1-NH2 3.22Å
89	F	96.3	Very high	95.2	Very high	23 Å²	23	51.7 Å²	51.7	10%	0.101	25%	0.246	C	C	.	.			trans	-63.8	109	-168.5	177.6	-110.5	0	0	0	113	V87 I91 D95 I97 W144 Y185 F314 L316	V87-F89 HydrophobicContact CG1-CB 4.11Å; V87-F89 PolarHBondContact O-N 2.96Å; F89-I91 HydrophobicContact CE1-CB 3.87Å; F89-I91 HydrophobicContact CE1-CG1 4.23Å; F89-I91 HydrophobicContact CZ-CB 4.28Å; F89-I91 HydrophobicContact CZ-CG1 4.42Å; F89-D95 HydrophobicContact CD2-CB 3.65Å; F89-D95 HydrophobicContact CE2-CB 3.59Å; F89-I97 HydrophobicContact CD1-CD1 4.46Å; F89-I97 HydrophobicContact CD2-CD1 4.39Å; F89-I97 HydrophobicContact CD2-CG1 4.31Å; F89-I97 HydrophobicContact CE1-CD1 4.07Å; F89-I97 HydrophobicContact CE2-CD1 4.01Å; F89-I97 HydrophobicContact CE2-CG1 3.84Å; F89-I97 HydrophobicContact CZ-CD1 3.84Å; F89-I97 HydrophobicContact CZ-CG1 4.1Å; F89-W144 HydrophobicContact CE1-CE3 4.4Å; F89-W144 HydrophobicContact CZ-CB 4.5Å; F89-W144 AromaticContact CZ-CE3 3.98Å; F89-W144 HydrophobicContact CZ-CE3 3.98Å; F89-Y185 AromaticContact CD2-CD2 3.99Å; F89-Y185 HydrophobicContact CD2-CD2 3.99Å; F89-Y185 HydrophobicContact CD2-CE2 4.19Å; F89-F314 HydrophobicContact CB-CB 4.34Å; F89-F314 HydrophobicContact CB-CD1 4.05Å; F89-F314 HydrophobicContact CG-CD1 4.27Å; F89-L316 HydrophobicContact CD1-CD1 4.15Å; F89-L316 HydrophobicContact CD1-CG 4.49Å; F89-L316 HydrophobicContact CE1-CD1 4.27Å
90	N	95.1	Very high	95.3	Very high	85 Å²	85	48 Å²	48	46%	0.455	22%	0.223	S	C	.	.			trans	-98.2	90.4	179.5	-175.9	-3	0	0	0	111.2	E88 K92 G93 D95	E88-N90 PolarHBondContact O-N 2.84Å; E88-N90 VanDerWaalsContact O-N 3.11Å; N90-K92 PolarHBondContact O-N 3.29Å; N90-K92 VanDerWaalsContact O-N 3.13Å; N90-K92 PolarHBondContact OD1-N 2.91Å; N90-K92 VanDerWaalsContact OD1-N 3.11Å; N90-G93 PolarHBondContact O-N 3.25Å; N90-G93 VanDerWaalsContact O-N 3.1Å; N90-G93 PolarHBondContact OD1-N 3.03Å; N90-D95 PolarHBondContact N-OD2 3.21Å
91	I	94.9	Very high	95.5	Very high	30 Å²	30	42.4 Å²	42.4	15%	0.154	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-27.1	177.2	-163.8	170.6	0	0	0	113.7	F89 L120 R137 W144	F89-I91 HydrophobicContact CE1-CB 3.87Å; F89-I91 HydrophobicContact CE1-CG1 4.23Å; F89-I91 HydrophobicContact CZ-CB 4.28Å; F89-I91 HydrophobicContact CZ-CG1 4.42Å; I91-L120 HydrophobicContact CD1-CD2 3.78Å; I91-R137 WeakPolarHBondContact O-CD 3.46Å; I91-R137 WeakPolarHBondContact O-CG 3.35Å; I91-R137 PolarHBondContact O-NH1 3.48Å; I91-W144 HydrophobicContact CD1-CD2 3.88Å; I91-W144 HydrophobicContact CD1-CE3 4.48Å; I91-W144 HydrophobicContact CD1-CG 3.91Å; I91-W144 HydrophobicContact CG1-CB 3.94Å; I91-W144 HydrophobicContact CG1-CD2 4.11Å; I91-W144 HydrophobicContact CG1-CG 3.69Å
92	K	93.4	Very high	95.7	Very high	99 Å²	99	32.1 Å²	32.1	43%	0.43	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-27.2	179.1	-60.3	-169.6	179.6	-171.4	0	113.1	N90 E121 P138 K140	N90-K92 PolarHBondContact O-N 3.29Å; N90-K92 VanDerWaalsContact O-N 3.13Å; N90-K92 PolarHBondContact OD1-N 2.91Å; N90-K92 VanDerWaalsContact OD1-N 3.11Å; K92-E121 WeakPolarHBondContact CE-OE1 3.47Å; K92-E121 WeakPolarHBondContact CE-OE2 3.3Å; K92-E121 IonicContact NZ-OE1 2.69Å; K92-E121 PolarHBondContact NZ-OE1 3.34Å; K92-E121 IonicContact NZ-OE2 3.16Å; K92-E121 PolarHBondContact NZ-OE2 2.91Å; K92-P138 HydrophobicContact CG-CB 4.41Å; K92-P138 HydrophobicContact CG-CG 4.13Å; K92-K140 PolarHBondContact O-NZ 3.35Å
93	G	91.5	Very high	95.8	Very high	15 Å²	15	31.5 Å²	31.5	16%	0.155	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-135.4	175.5	0	0	0	0	0	112.7	N90 R137 K140	N90-G93 PolarHBondContact O-N 3.25Å; N90-G93 VanDerWaalsContact O-N 3.1Å; N90-G93 PolarHBondContact OD1-N 3.03Å; G93-R137 VanDerWaalsContact O-CD 3.32Å; G93-R137 WeakPolarHBondContact O-CD 3.35Å; G93-R137 PolarHBondContact O-NE 3.44Å; G93-R137 PolarHBondContact O-NH1 3.08Å; G93-K140 PolarHBondContact O-NZ 3.43Å
94	D	91.6	Very high	95.9	Very high	33 Å²	33	32.4 Å²	32.4	18%	0.176	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	4.1	-170.7	-71.8	-65.8	0	0	0	114.1	R137 N180 R182	D94-R137 PolarHBondContact O-NH2 2.97Å; D94-N180 WeakPolarHBondContact OD2-CB 3.43Å; D94-N180 PolarHBondContact OD2-ND2 3.34Å; D94-R182 HydrophobicContact CB-CG 4.15Å; D94-R182 WeakPolarHBondContact O-CB 3.49Å; D94-R182 WeakPolarHBondContact O-CD 3.36Å; D94-R182 IonicContact OD1-NE 2.79Å
95	D	95.6	Very high	96.1	Very high	11 Å²	11	30 Å²	30	6%	0.059	15%	0.145	C	C	.	.			trans	-73.6	141.4	-174.7	-62.9	-10.1	0	0	0	112.5	F89 N90 R137 N183 Y185	F89-D95 HydrophobicContact CD2-CB 3.65Å; F89-D95 HydrophobicContact CE2-CB 3.59Å; N90-D95 PolarHBondContact N-OD2 3.21Å; D95-R137 VanDerWaalsContact O-CZ 3.28Å; D95-R137 PolarHBondContact O-NH1 3.46Å; D95-R137 PolarHBondContact O-NH2 3.43Å; D95-N183 WeakPolarHBondContact OD1-CB 3.31Å; D95-N183 PolarHBondContact OD1-ND2 3.04Å; D95-Y185 HydrophobicContact CB-CD2 4.29Å; D95-Y185 HydrophobicContact CB-CE2 3.85Å
96	V	97.2	Very high	96.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	121.7	-179.6	-179.4	0	0	0	0	110	V98 W144 F146 M172 N183 F184 Y185	V96-V98 HydrophobicContact CG1-CG2 4.19Å; V96-W144 WeakPolarHBondContact CA-O 3.44Å; V96-F146 HydrophobicContact CG1-CB 4.15Å; V96-M172 HydrophobicContact CG1-CE 4.16Å; V96-M172 HydrophobicContact CG2-CE 3.96Å; V96-N183 PolarHBondContact N-O 3.48Å; V96-F184 HydrophobicContact CB-CD1 3.87Å; V96-F184 HydrophobicContact CB-CE1 4.05Å; V96-F184 HydrophobicContact CG1-CD1 4.19Å; V96-F184 HydrophobicContact CG1-CE1 4.34Å; V96-F184 HydrophobicContact CG2-CD1 4.47Å; V96-F184 HydrophobicContact CG2-CE1 4.17Å; V96-F184 WeakPolarHBondContact O-CA 3.38Å; V96-Y185 PolarHBondContact O-N 3.5Å
97	I	98.6	Very high	96.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	131.6	168.3	-70.2	166.4	0	0	0	108.7	F89 W144 L145 F146 Y185 I187 F310 F314	F89-I97 HydrophobicContact CD1-CD1 4.46Å; F89-I97 HydrophobicContact CD2-CD1 4.39Å; F89-I97 HydrophobicContact CD2-CG1 4.31Å; F89-I97 HydrophobicContact CE1-CD1 4.07Å; F89-I97 HydrophobicContact CE2-CD1 4.01Å; F89-I97 HydrophobicContact CE2-CG1 3.84Å; F89-I97 HydrophobicContact CZ-CD1 3.84Å; F89-I97 HydrophobicContact CZ-CG1 4.1Å; I97-W144 HydrophobicContact CD1-CZ3 4.35Å; I97-W144 PolarHBondContact N-O 2.88Å; I97-L145 HydrophobicContact CB-CD1 3.94Å; I97-L145 HydrophobicContact CG2-CD1 3.74Å; I97-L145 CarbonylContact O-C 3.59Å; I97-L145 WeakPolarHBondContact O-CA 3.29Å; I97-F146 PolarHBondContact O-N 2.95Å; I97-Y185 WeakPolarHBondContact CA-O 3.48Å; I97-I187 HydrophobicContact CG2-CD1 3.49Å; I97-I187 VanDerWaalsContact CG2-CD1 3.49Å; I97-I187 HydrophobicContact CG2-CG1 3.93Å; I97-I187 HydrophobicContact CG2-CG2 4.47Å; I97-F310 HydrophobicContact CD1-CZ 4.41Å; I97-F314 HydrophobicContact CD1-CD1 4.13Å; I97-F314 HydrophobicContact CD1-CE1 4.19Å; I97-F314 HydrophobicContact CD1-CG 4.32Å; I97-F314 HydrophobicContact CD1-CZ 4.43Å; I97-F314 HydrophobicContact CG1-CD1 4.43Å; I97-F314 HydrophobicContact CG1-CE1 4.07Å; I97-F314 HydrophobicContact CG1-CZ 4.34Å
98	V	98.8	Very high	96.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	107.1	-178.2	-173.6	0	0	0	0	109.8	V96 L100 F146 L164 V168 F184 Y185 Y186 I187	V96-V98 HydrophobicContact CG1-CG2 4.19Å; V98-L100 PolarHBondContact O-N 3.44Å; V98-F146 HydrophobicContact CG1-CB 4.3Å; V98-F146 HydrophobicContact CG1-CD1 4.15Å; V98-F146 HydrophobicContact CG2-CB 4.24Å; V98-L164 HydrophobicContact CG1-CD1 4.46Å; V98-V168 HydrophobicContact CG1-CG1 4.45Å; V98-V168 HydrophobicContact CG1-CG2 4.1Å; V98-V168 HydrophobicContact CG2-CG1 4Å; V98-F184 HydrophobicContact CG2-CB 4.13Å; V98-F184 HydrophobicContact CG2-CD1 3.94Å; V98-Y185 PolarHBondContact N-O 3.01Å; V98-Y186 HydrophobicContact CB-CD1 3.9Å; V98-Y186 HydrophobicContact CB-CE1 3.99Å; V98-Y186 HydrophobicContact CB-CG 4.3Å; V98-Y186 HydrophobicContact CG1-CD1 3.81Å; V98-Y186 HydrophobicContact CG1-CE1 3.58Å; V98-Y186 HydrophobicContact CG2-CE1 4.44Å; V98-Y186 WeakPolarHBondContact O-CA 3.3Å; V98-I187 PolarHBondContact O-N 3.35Å
99	F	98.8	Very high	96.5	Very high	10 Å²	10	24 Å²	24	4%	0.044	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	101.8	-177.9	176.5	-141.5	0	0	0	112.5	H101 G107 F110 L114 F146 I187 M189	F99-H101 HydrophobicContact CD1-CB 4.39Å; F99-H101 HydrophobicContact CE1-CB 3.91Å; F99-H101 HydrophobicContact CE2-CB 4.36Å; F99-H101 HydrophobicContact CZ-CB 3.88Å; F99-H101 PolarHBondContact O-N 3.01Å; F99-G107 WeakPolarHBondContact CE1-O 3.48Å; F99-F110 HydrophobicContact CD2-CD1 4.22Å; F99-F110 HydrophobicContact CD2-CE1 4.24Å; F99-F110 HydrophobicContact CE1-CD1 4.21Å; F99-F110 AromaticContact CE2-CD1 3.79Å; F99-F110 HydrophobicContact CE2-CD1 3.79Å; F99-F110 HydrophobicContact CE2-CE1 4.2Å; F99-F110 AromaticContact CZ-CD1 3.79Å; F99-F110 HydrophobicContact CZ-CD1 3.79Å; F99-L114 HydrophobicContact CB-CD1 4.05Å; F99-L114 HydrophobicContact CD1-CD1 4.03Å; F99-L114 HydrophobicContact CG-CD1 4.06Å; F99-F146 PolarHBondContact N-O 3.18Å; F99-I187 HydrophobicContact CB-CD1 4.38Å; F99-I187 HydrophobicContact CB-CG1 4.05Å; F99-I187 HydrophobicContact CD2-CG1 4.15Å; F99-I187 HydrophobicContact CG-CG1 4.49Å; F99-M189 HydrophobicContact CE2-CG 4.22Å; F99-M189 HydrophobicContact CZ-CG 4.42Å
100	L	98.8	Very high	96.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	110	169.1	-167.2	168.2	0	0	0	108.9	V98 I102 W161 L164 I187 T188 L260 M294	V98-L100 PolarHBondContact O-N 3.44Å; L100-I102 HydrophobicContact CD2-CD1 4.13Å; L100-I102 HydrophobicContact CD2-CG1 3.4Å; L100-I102 VanDerWaalsContact CD2-CG1 3.4Å; L100-W161 HydrophobicContact CD1-CB 3.9Å; L100-L164 HydrophobicContact CB-CD1 3.75Å; L100-L164 HydrophobicContact CD1-CD1 4.18Å; L100-L164 HydrophobicContact CG-CD1 3.72Å; L100-I187 PolarHBondContact N-O 3.34Å; L100-T188 PolarHBondContact O-OG1 2.74Å; L100-L260 HydrophobicContact CD1-CD2 4.05Å; L100-M294 HydrophobicContact CD1-CE 4.01Å
101	H	98.7	Very high	96.7	Very high	8 Å²	8	18.9 Å²	18.9	4%	0.037	11%	0.108	C	C	.	.			trans	-102.5	88.8	-174	175.7	-159.3	0	0	0	110.8	F99 W153 H158	F99-H101 HydrophobicContact CD1-CB 4.39Å; F99-H101 HydrophobicContact CE1-CB 3.91Å; F99-H101 HydrophobicContact CE2-CB 4.36Å; F99-H101 HydrophobicContact CZ-CB 3.88Å; F99-H101 PolarHBondContact O-N 3.01Å; H101-W153 HydrophobicContact CB-CH2 4.31Å; H101-W153 AromaticContact ND1-CH2 3.67Å; H101-H158 AromaticContact CE1-CE1 3.48Å; H101-H158 PolarHBondContact CE1-CE1 3.38Å; H101-H158 VanDerWaalsContact CE1-CE1 3.48Å; H101-H158 AromaticContact CG-CE1 3.95Å; H101-H158 AromaticContact ND1-CE1 3.59Å; H101-H158 AromaticContact ND1-ND1 3.99Å; H101-H158 AromaticContact NE2-CE1 3.8Å; H101-H158 PolarHBondContact O-ND1 2.88Å
102	I	98.8	Very high	96.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.121	C	C	.	.			trans	-63.8	143	173.2	-52.5	-179.5	0	0	0	110.1	L100 K104 T105 L190 R255 Q256 M259 L260	L100-I102 HydrophobicContact CD2-CD1 4.13Å; L100-I102 HydrophobicContact CD2-CG1 3.4Å; L100-I102 VanDerWaalsContact CD2-CG1 3.4Å; I102-K104 PolarHBondContact O-N 3.48Å; I102-T105 HydrophobicContact CB-CG2 4.08Å; I102-T105 HydrophobicContact CG2-CG2 4.13Å; I102-T105 PolarHBondContact O-OG1 3.49Å; I102-L190 HydrophobicContact CD1-CD2 3.83Å; I102-R255 HydrophobicContact CG2-CG 4.06Å; I102-Q256 HydrophobicContact CD1-CB 4.34Å; I102-Q256 HydrophobicContact CD1-CG 4.28Å; I102-Q256 HydrophobicContact CG2-CG 4.12Å; I102-M259 HydrophobicContact CD1-CB 4.47Å; I102-M259 HydrophobicContact CG1-CB 4.34Å; I102-M259 HydrophobicContact CG2-SD 4Å; I102-L260 HydrophobicContact CD1-CD1 4.11Å; I102-L260 HydrophobicContact CD1-CD2 4.43Å; I102-L260 HydrophobicContact CD1-CG 4Å
103	Q	98.6	Very high	97.1	Very high	3 Å²	3	19.7 Å²	19.7	1%	0.014	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	131.6	177.1	-68.7	78.5	-10.8	0	0	110.6	T105 W210 R255 M259	Q103-T105 VanDerWaalsContact C-N 3.33Å; Q103-T105 PolarHBondContact O-N 2.89Å; Q103-W210 HydrophobicContact CB-CH2 4.14Å; Q103-W210 HydrophobicContact CB-CZ2 3.89Å; Q103-W210 HydrophobicContact CG-CD2 3.9Å; Q103-W210 VanDerWaalsContact CG-CE2 3.41Å; Q103-W210 HydrophobicContact CG-CE3 4.34Å; Q103-W210 HydrophobicContact CG-CG 4.45Å; Q103-W210 HydrophobicContact CG-CH2 3.93Å; Q103-W210 HydrophobicContact CG-CZ2 3.42Å; Q103-W210 VanDerWaalsContact CG-CZ2 3.42Å; Q103-W210 HydrophobicContact CG-CZ3 4.36Å; Q103-R255 VanDerWaalsContact CD-NH1 3.28Å; Q103-M259 PolarHBondContact OE1-SD 3.09Å
104	K	97.9	Very high	97.4	Very high	38 Å²	38	19 Å²	19	17%	0.165	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	0.5	169.4	-41.4	-49.9	-48.2	-166.1	0	118	I102 G106 R196 S199 E200 H203 W210	I102-K104 PolarHBondContact O-N 3.48Å; K104-G106 PolarHBondContact O-N 2.75Å; K104-R196 HydrophobicContact CB-CG 4.09Å; K104-S199 WeakPolarHBondContact CE-O 3.3Å; K104-S199 WeakPolarHBondContact CE-OG 3.37Å; K104-S199 PolarHBondContact NZ-O 3.03Å; K104-E200 HydrophobicContact CD-CB 4.49Å; K104-E200 HydrophobicContact CG-CB 3.73Å; K104-E200 HydrophobicContact CG-CG 4.09Å; K104-H203 HydrophobicContact CD-CB 4.3Å; K104-H203 VanDerWaalsContact NZ-CG 3.25Å; K104-H203 PolarHBondContact NZ-ND1 2.99Å; K104-H203 VanDerWaalsContact NZ-ND1 3.18Å; K104-W210 HydrophobicContact CD-CH2 3.97Å; K104-W210 HydrophobicContact CD-CZ2 4.14Å
105	T	98	Very high	97.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-82.7	39.9	177.4	60.5	0	0	0	0	113.5	I102 Q103 G107 M189 R191 R196 Q256 T300	I102-T105 HydrophobicContact CB-CG2 4.08Å; I102-T105 HydrophobicContact CG2-CG2 4.13Å; I102-T105 PolarHBondContact O-OG1 3.49Å; Q103-T105 VanDerWaalsContact C-N 3.33Å; Q103-T105 PolarHBondContact O-N 2.89Å; T105-G107 PolarHBondContact O-N 3Å; T105-M189 WeakPolarHBondContact CB-O 3.49Å; T105-M189 WeakPolarHBondContact CG2-O 3.35Å; T105-M189 VanDerWaalsContact O-CB 3.23Å; T105-M189 WeakPolarHBondContact O-CB 3.4Å; T105-M189 PolarHBondContact OG1-O 3.38Å; T105-R191 HydrophobicContact CG2-CB 3.98Å; T105-R196 HydrophobicContact CG2-CG 4.19Å; T105-Q256 HydrophobicContact CG2-CG 4.39Å; T105-T300 VanDerWaalsContact C-OG1 3.27Å; T105-T300 PolarHBondContact O-OG1 2.91Å
106	G	96.4	Very high	97.8	Very high	26 Å²	26	23.9 Å²	23.9	27%	0.268	12%	0.117	S	C	.	.	S	Bend	trans	66.7	-3.9	-178.8	0	0	0	0	0	116.2	K104 T108 T109 F110	K104-G106 PolarHBondContact O-N 2.75Å; G106-T108 PolarHBondContact O-N 3.09Å; G106-T109 WeakPolarHBondContact O-CB 3.24Å; G106-T109 PolarHBondContact O-N 3.48Å; G106-F110 PolarHBondContact O-N 2.94Å
107	G	95.4	Very high	97.8	Very high	2 Å²	2	24.6 Å²	24.6	2%	0.021	12%	0.12	C	C	.	.	H	α-helix	trans	-58.1	-16.5	-169.4	0	0	0	0	0	117.7	F99 T105 T109 G111	F99-G107 WeakPolarHBondContact CE1-O 3.48Å; T105-G107 PolarHBondContact O-N 3Å; G107-T109 VanDerWaalsContact C-N 3.34Å; G107-G111 WeakPolarHBondContact O-CA 3.43Å; G107-G111 PolarHBondContact O-N 2.9Å
108	T	95.4	Very high	97.8	Very high	56 Å²	56	25 Å²	25	34%	0.344	12%	0.122	S	C	.	.	H	α-helix	trans	-72.9	-24.5	169.9	-68.2	0	0	0	0	113.1	G106 R112 R148 F149	G106-T108 PolarHBondContact O-N 3.09Å; T108-R112 PolarHBondContact O-NH1 2.85Å; T108-R148 PolarHBondContact OG1-NH1 3.1Å; T108-R148 VanDerWaalsContact OG1-NH1 3.12Å; T108-F149 HydrophobicContact CG2-CZ 4.28Å
109	T	96.9	Very high	97.7	Very high	64 Å²	64	32.1 Å²	32.1	39%	0.393	15%	0.149	S	C	.	.	H	α-helix	trans	-83.6	-53.3	170.4	-60.8	0	0	0	0	109.9	G106 G107 G111 R112 H113	G106-T109 WeakPolarHBondContact O-CB 3.24Å; G106-T109 PolarHBondContact O-N 3.48Å; G107-T109 VanDerWaalsContact C-N 3.34Å; T109-G111 PolarHBondContact O-N 3.2Å; T109-R112 WeakPolarHBondContact O-CA 3.43Å; T109-R112 WeakPolarHBondContact O-CB 3.25Å; T109-R112 PolarHBondContact O-N 3.2Å; T109-H113 WeakPolarHBondContact CG2-NE2 3.27Å; T109-H113 PolarHBondContact O-CD2 2.03Å; T109-H113 PolarHBondContact O-N 2.92Å; T109-H113 VanDerWaalsContact O-N 3.1Å
110	F	98.3	Very high	97.6	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	16%	0.156	C	C	.	.	H	α-helix	trans	-55.4	-50.3	178.7	-177.2	-108.9	0	0	0	112.7	F99 G106 R112 H113 L114 I187 M189 F296 T306 F310 F322	F99-F110 HydrophobicContact CD2-CD1 4.22Å; F99-F110 HydrophobicContact CD2-CE1 4.24Å; F99-F110 HydrophobicContact CE1-CD1 4.21Å; F99-F110 AromaticContact CE2-CD1 3.79Å; F99-F110 HydrophobicContact CE2-CD1 3.79Å; F99-F110 HydrophobicContact CE2-CE1 4.2Å; F99-F110 AromaticContact CZ-CD1 3.79Å; F99-F110 HydrophobicContact CZ-CD1 3.79Å; G106-F110 PolarHBondContact O-N 2.94Å; F110-R112 PolarHBondContact O-N 3.05Å; F110-R112 VanDerWaalsContact O-N 3.16Å; F110-H113 WeakPolarHBondContact O-CA 3.38Å; F110-H113 WeakPolarHBondContact O-CB 3.45Å; F110-H113 PolarHBondContact O-N 2.8Å; F110-L114 HydrophobicContact CD1-CD1 4.2Å; F110-L114 HydrophobicContact CD1-CG 4.43Å; F110-L114 HydrophobicContact CE1-CD1 3.86Å; F110-L114 HydrophobicContact CE1-CD2 4.13Å; F110-L114 HydrophobicContact CE1-CG 4.15Å; F110-L114 HydrophobicContact CE2-CD2 4.49Å; F110-L114 HydrophobicContact CZ-CD2 3.94Å; F110-L114 HydrophobicContact CZ-CG 4.41Å; F110-L114 PolarHBondContact O-N 2.84Å; F110-L114 VanDerWaalsContact O-N 3.09Å; F110-I187 HydrophobicContact CE1-CD1 3.82Å; F110-I187 HydrophobicContact CZ-CD1 4.12Å; F110-M189 HydrophobicContact CB-CG 3.73Å; F110-M189 HydrophobicContact CB-SD 4.06Å; F110-M189 HydrophobicContact CD1-CG 3.55Å; F110-M189 HydrophobicContact CD1-SD 4Å; F110-M189 HydrophobicContact CD2-CG 4.34Å; F110-M189 HydrophobicContact CD2-SD 3.77Å; F110-M189 HydrophobicContact CE1-CG 4.24Å; F110-M189 HydrophobicContact CE1-SD 4.4Å; F110-M189 HydrophobicContact CE2-SD 4.21Å; F110-M189 HydrophobicContact CG-CG 3.61Å; F110-M189 HydrophobicContact CG-SD 3.67Å; F110-M189 HydrophobicContact CZ-SD 4.5Å; F110-F296 HydrophobicContact CE2-CE1 4.17Å; F110-F296 HydrophobicContact CZ-CD1 4.38Å; F110-F296 AromaticContact CZ-CE1 3.78Å; F110-F296 HydrophobicContact CZ-CE1 3.78Å; F110-T306 HydrophobicContact CD2-CG2 4.34Å; F110-T306 HydrophobicContact CE2-CG2 4.25Å; F110-F310 HydrophobicContact CE2-CD2 4.45Å; F110-F310 AromaticContact CZ-CD2 3.96Å; F110-F310 HydrophobicContact CZ-CD2 3.96Å; F110-F310 HydrophobicContact CZ-CE2 4.24Å; F110-F322 AromaticContact CD2-CE2 3.87Å; F110-F322 HydrophobicContact CD2-CE2 3.87Å; F110-F322 HydrophobicContact CD2-CZ 4.25Å; F110-F322 HydrophobicContact CE2-CE2 4.15Å; F110-F322 HydrophobicContact CE2-CZ 4.35Å
111	G	97.9	Very high	97.4	Very high	1 Å²	1	40 Å²	40	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-60.2	-26.9	176.1	0	0	0	0	0	113.8	G107 T109 V115	G107-G111 WeakPolarHBondContact O-CA 3.43Å; G107-G111 PolarHBondContact O-N 2.9Å; T109-G111 PolarHBondContact O-N 3.2Å; G111-V115 PolarHBondContact O-N 2.99Å
112	R	97.3	Very high	97.3	Very high	113 Å²	113	42.8 Å²	42.8	43%	0.426	20%	0.2	S	C	.	.	H	α-helix	trans	-72.5	-37.8	172.6	-170.7	-173.9	-63	103	-1.8	111.3	T108 T109 F110 L114 V115 R116 F149	T108-R112 PolarHBondContact O-NH1 2.85Å; T109-R112 WeakPolarHBondContact O-CA 3.43Å; T109-R112 WeakPolarHBondContact O-CB 3.25Å; T109-R112 PolarHBondContact O-N 3.2Å; F110-R112 PolarHBondContact O-N 3.05Å; F110-R112 VanDerWaalsContact O-N 3.16Å; R112-L114 VanDerWaalsContact C-N 3.31Å; R112-L114 PolarHBondContact O-N 3.11Å; R112-V115 PolarHBondContact O-N 3.34Å; R112-R116 WeakPolarHBondContact O-CB 3.4Å; R112-R116 PolarHBondContact O-N 3.29Å; R112-F149 HydrophobicContact CB-CE2 4.49Å
113	H	98.3	Very high	97.2	Very high	32 Å²	32	47.2 Å²	47.2	15%	0.148	23%	0.229	C	C	.	.	H	α-helix	trans	-62.2	-39.8	173.4	-66.1	-76.4	0	0	0	111.2	T109 F110 V115 N117 I118 F318 F322	T109-H113 WeakPolarHBondContact CG2-NE2 3.27Å; T109-H113 PolarHBondContact O-CD2 2.03Å; T109-H113 PolarHBondContact O-N 2.92Å; T109-H113 VanDerWaalsContact O-N 3.1Å; F110-H113 WeakPolarHBondContact O-CA 3.38Å; F110-H113 WeakPolarHBondContact O-CB 3.45Å; F110-H113 PolarHBondContact O-N 2.8Å; H113-V115 VanDerWaalsContact C-N 3.32Å; H113-V115 PolarHBondContact O-N 2.85Å; H113-N117 HydrophobicContact CB-CB 3.93Å; H113-N117 PolarHBondContact ND1-ND2 2.82Å; H113-N117 WeakPolarHBondContact O-CA 3.47Å; H113-N117 VanDerWaalsContact O-CB 3.3Å; H113-N117 WeakPolarHBondContact O-CB 3.29Å; H113-N117 PolarHBondContact O-N 2.96Å; H113-I118 PolarHBondContact O-N 3.41Å; H113-F318 HydrophobicContact CB-CD1 4.25Å; H113-F318 HydrophobicContact CB-CE1 3.87Å; H113-F322 HydrophobicContact CB-CE1 3.63Å; H113-F322 HydrophobicContact CB-CZ 3.67Å; H113-F322 AromaticContact CD2-CE1 3.9Å; H113-F322 AromaticContact CD2-CZ 3.96Å; H113-F322 AromaticContact CE1-CD1 3.79Å; H113-F322 AromaticContact CG-CD1 3.94Å; H113-F322 AromaticContact CG-CE1 3.45Å; H113-F322 VanDerWaalsContact CG-CE1 3.45Å; H113-F322 AromaticContact CG-CZ 3.76Å; H113-F322 AromaticContact ND1-CD1 3.71Å; H113-F322 AromaticContact ND1-CE1 3.59Å
114	L	98.4	Very high	97.1	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-57.9	-39.6	176.2	-60.2	179.7	0	0	0	113.5	F99 F110 R112 I118 L145 I187 F310	F99-L114 HydrophobicContact CB-CD1 4.05Å; F99-L114 HydrophobicContact CD1-CD1 4.03Å; F99-L114 HydrophobicContact CG-CD1 4.06Å; F110-L114 HydrophobicContact CD1-CD1 4.2Å; F110-L114 HydrophobicContact CD1-CG 4.43Å; F110-L114 HydrophobicContact CE1-CD1 3.86Å; F110-L114 HydrophobicContact CE1-CD2 4.13Å; F110-L114 HydrophobicContact CE1-CG 4.15Å; F110-L114 HydrophobicContact CE2-CD2 4.49Å; F110-L114 HydrophobicContact CZ-CD2 3.94Å; F110-L114 HydrophobicContact CZ-CG 4.41Å; F110-L114 PolarHBondContact O-N 2.84Å; F110-L114 VanDerWaalsContact O-N 3.09Å; R112-L114 VanDerWaalsContact C-N 3.31Å; R112-L114 PolarHBondContact O-N 3.11Å; L114-I118 HydrophobicContact CD2-CD1 4.2Å; L114-L145 HydrophobicContact CB-CD2 3.98Å; L114-L145 HydrophobicContact CD1-CD1 4.21Å; L114-I187 HydrophobicContact CD1-CD1 4.05Å; L114-I187 HydrophobicContact CD2-CD1 4.41Å; L114-F310 HydrophobicContact CD2-CE1 4.45Å; L114-F310 HydrophobicContact CD2-CE2 3.64Å; L114-F310 HydrophobicContact CD2-CZ 3.6Å
115	V	97.9	Very high	97	Very high	7 Å²	7	49.5 Å²	49.5	4%	0.042	24%	0.244	C	C	.	.	H	α-helix	trans	-97	-10	-175.7	-57.8	0	0	0	0	115.4	G111 R112 H113 C124 C126 C133 L145 F149	G111-V115 PolarHBondContact O-N 2.99Å; R112-V115 PolarHBondContact O-N 3.34Å; H113-V115 VanDerWaalsContact C-N 3.32Å; H113-V115 PolarHBondContact O-N 2.85Å; V115-C124 WeakPolarHBondContact O-CB 3.38Å; V115-C126 PolarHBondContact O-SG 3.3Å; V115-C133 HydrophobicContact CB-CB 4.46Å; V115-L145 HydrophobicContact CG1-CD2 3.66Å; V115-F149 HydrophobicContact CG1-CB 3.9Å; V115-F149 HydrophobicContact CG2-CB 3.97Å
116	R	97.3	Very high	97	Very high	140 Å²	140	50.8 Å²	50.8	53%	0.528	25%	0.253	S	S	.	.	H	α-helix	trans	-136.4	-9.1	-176	-73	178.1	-170.2	-155.9	-1.6	116	R112 C126	R112-R116 WeakPolarHBondContact O-CB 3.4Å; R112-R116 PolarHBondContact O-N 3.29Å; R116-C126 HydrophobicContact CG-CB 4.28Å; R116-C126 VanDerWaalsContact CG-SG 3.55Å
117	N	97.8	Very high	96.8	Very high	14 Å²	14	54.5 Å²	54.5	8%	0.075	26%	0.262	C	S	.	.	S	Bend	trans	-124.8	-1.1	-170.2	-164.2	44.8	0	0	0	113.8	H113 F318 I319 S320	H113-N117 HydrophobicContact CB-CB 3.93Å; H113-N117 PolarHBondContact ND1-ND2 2.82Å; H113-N117 WeakPolarHBondContact O-CA 3.47Å; H113-N117 VanDerWaalsContact O-CB 3.3Å; H113-N117 WeakPolarHBondContact O-CB 3.29Å; H113-N117 PolarHBondContact O-N 2.96Å; N117-F318 HydrophobicContact CB-CD1 4.04Å; N117-F318 CarbonylContact O-C 3.48Å; N117-F318 WeakPolarHBondContact O-CA 3.39Å; N117-F318 WeakPolarHBondContact O-CD1 3.49Å; N117-I319 PolarHBondContact O-N 3.38Å; N117-S320 PolarHBondContact ND2-O 2.81Å; N117-S320 WeakPolarHBondContact OD1-CB 3.46Å; N117-S320 PolarHBondContact OD1-N 3.35Å
118	I	97.8	Very high	96.5	Very high	9 Å²	9	60.5 Å²	60.5	5%	0.046	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-84.1	134.5	174.1	-57.3	178.8	0	0	0	109	H113 L114 L120 W144 F310 L316 F318	H113-I118 PolarHBondContact O-N 3.41Å; L114-I118 HydrophobicContact CD2-CD1 4.2Å; I118-L120 HydrophobicContact CB-CD1 4.38Å; I118-L120 HydrophobicContact CB-CD2 4.4Å; I118-L120 HydrophobicContact CB-CG 4.09Å; I118-L120 HydrophobicContact CG2-CD1 4.47Å; I118-L120 HydrophobicContact CG2-CD2 3.61Å; I118-L120 HydrophobicContact CG2-CG 3.79Å; I118-L120 PolarHBondContact O-N 3.34Å; I118-W144 HydrophobicContact CD1-CH2 4.24Å; I118-F310 HydrophobicContact CD1-CE1 3.96Å; I118-F310 HydrophobicContact CD1-CZ 4.05Å; I118-L316 HydrophobicContact CD1-CD1 4.35Å; I118-L316 HydrophobicContact CG2-CB 4.24Å; I118-L316 HydrophobicContact CG2-CD1 4.28Å; I118-L316 HydrophobicContact CG2-CD2 4.27Å; I118-F318 HydrophobicContact CD1-CE1 4.14Å; I118-F318 HydrophobicContact CG1-CD1 3.76Å; I118-F318 HydrophobicContact CG1-CE1 3.44Å; I118-F318 VanDerWaalsContact CG1-CE1 3.44Å; I118-F318 HydrophobicContact CG1-CZ 4.22Å
119	R	97.3	Very high	96.1	Very high	149 Å²	149	62 Å²	62	56%	0.562	33%	0.327	S	S	*	.			trans	-73	106.8	172.3	-170.2	-176.7	-71.9	-177.9	0.2	107.8	D56 R317 I319	D56-R119 IonicContact OD2-NH1 2.75Å; R119-R317 PolarHBondContact N-O 2.95Å; R119-I319 HydrophobicContact CB-CG1 4.03Å
120	L	96.5	Very high	95.8	Very high	34 Å²	34	64.2 Å²	64.2	18%	0.178	33%	0.333	C	S	.	.			trans	-128.5	147.9	-174.4	-64.9	176.3	0	0	0	111.1	I91 I118 Q122 W144 L316	I91-L120 HydrophobicContact CD1-CD2 3.78Å; I118-L120 HydrophobicContact CB-CD1 4.38Å; I118-L120 HydrophobicContact CB-CD2 4.4Å; I118-L120 HydrophobicContact CB-CG 4.09Å; I118-L120 HydrophobicContact CG2-CD1 4.47Å; I118-L120 HydrophobicContact CG2-CD2 3.61Å; I118-L120 HydrophobicContact CG2-CG 3.79Å; I118-L120 PolarHBondContact O-N 3.34Å; L120-Q122 VanDerWaalsContact C-N 3.32Å; L120-W144 HydrophobicContact CD1-CH2 4.11Å; L120-W144 HydrophobicContact CD1-CZ2 3.5Å; L120-L316 HydrophobicContact CD2-CD2 4.33Å
121	E	94.3	Very high	95.4	Very high	142 Å²	142	73 Å²	73	66%	0.664	37%	0.371	S	S	*	.	S	Bend	trans	-60.6	-40.3	170.9	-178.8	-177.2	156.6	0	0	112	K92	K92-E121 WeakPolarHBondContact CE-OE1 3.47Å; K92-E121 WeakPolarHBondContact CE-OE2 3.3Å; K92-E121 IonicContact NZ-OE1 2.69Å; K92-E121 PolarHBondContact NZ-OE1 3.34Å; K92-E121 IonicContact NZ-OE2 3.16Å; K92-E121 PolarHBondContact NZ-OE2 2.91Å
122	Q	95.9	Very high	95.3	Very high	67 Å²	67	78 Å²	78	31%	0.313	39%	0.392	S	S	.	.	S	Bend	trans	-123.8	100.8	170.7	-169.4	-176.7	-87	0	0	108.6	L120 H136 R137 P138	L120-Q122 VanDerWaalsContact C-N 3.32Å; Q122-H136 PolarHBondContact NE2-O 3.31Å; Q122-R137 VanDerWaalsContact NE2-C 3.27Å; Q122-R137 PolarHBondContact NE2-O 3.01Å; Q122-P138 HydrophobicContact CB-CB 4.36Å; Q122-P138 HydrophobicContact CB-CG 4.08Å
123	P	96.8	Very high	95.2	Very high	92 Å²	92	72.8 Å²	72.8	60%	0.597	37%	0.373	S	S	*	.			trans	-63.3	161.3	174.7	-23.4	34.9	0	0	0	112.9
124	C	97.4	Very high	95.2	Very high	16 Å²	16	73.9 Å²	73.9	11%	0.108	38%	0.382	C	S	.	.			trans	-72	134.6	171.9	-52.2	0	0	0	0	111.5	V115 C126 C133 T134 C135	V115-C124 WeakPolarHBondContact O-CB 3.38Å; C124-C126 PolarHBondContact O-N 3.36Å; C124-C133 HydrophobicContact CB-CB 4.15Å; C124-T134 WeakPolarHBondContact CA-O 3.09Å; C124-C135 HydrophobicContact CB-CB 4.03Å; C124-C135 WeakPolarHBondContact CB-SG 3.48Å; C124-C135 WeakPolarHBondContact SG-CA 3.15Å; C124-C135 WeakPolarHBondContact SG-CB 3.4Å; C124-C135 CovalentContact SG-SG 2.04Å; C124-C135 PolarHBondContact SG-SG 2.98Å
125	D	96.8	Very high	95.1	Very high	73 Å²	73	73.8 Å²	73.8	39%	0.39	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-73	109.7	169.9	170.4	20.8	0	0	0	110	K127 C133 T134	D125-K127 WeakPolarHBondContact OD1-CG 3.15Å; D125-K127 WeakPolarHBondContact OD2-CE 3.17Å; D125-K127 IonicContact OD2-NZ 3.62Å; D125-C133 CarbonylContact O-C 3.44Å; D125-C133 WeakPolarHBondContact O-CA 3.46Å; D125-C133 VanDerWaalsContact O-CB 3.27Å; D125-C133 WeakPolarHBondContact O-CB 3.35Å; D125-T134 PolarHBondContact N-O 3.26Å; D125-T134 PolarHBondContact O-N 2.95Å
126	C	96.1	Very high	95.1	Very high	28 Å²	28	75.8 Å²	75.8	19%	0.189	39%	0.391	C	S	.	.			trans	-114.2	67.4	-176.2	-82.5	0	0	0	0	111.9	V115 R116 C124 C133	V115-C126 PolarHBondContact O-SG 3.3Å; R116-C126 HydrophobicContact CG-CB 4.28Å; R116-C126 VanDerWaalsContact CG-SG 3.55Å; C124-C126 PolarHBondContact O-N 3.36Å; C126-C133 WeakPolarHBondContact CA-SG 3.31Å; C126-C133 HydrophobicContact CB-CB 4Å; C126-C133 WeakPolarHBondContact CB-SG 3.32Å; C126-C133 WeakPolarHBondContact SG-CB 3.28Å; C126-C133 CovalentContact SG-SG 2.03Å; C126-C133 PolarHBondContact SG-SG 3.25Å
127	K	92.7	Very high	95	Very high	103 Å²	103	69.1 Å²	69.1	45%	0.448	37%	0.366	S	S	.	.			trans	-50.9	135.1	-177.7	-56.3	-167.7	-173.7	-170.1	0	113.1	D125 Q130	D125-K127 WeakPolarHBondContact OD1-CG 3.15Å; D125-K127 WeakPolarHBondContact OD2-CE 3.17Å; D125-K127 IonicContact OD2-NZ 3.62Å; K127-Q130 HydrophobicContact CB-CB 4.44Å; K127-Q130 HydrophobicContact CB-CG 4.08Å; K127-Q130 WeakPolarHBondContact O-CB 3.32Å; K127-Q130 PolarHBondContact O-N 2.94Å
128	P	89.7	Confident	94.8	Very high	129 Å²	129	69.7 Å²	69.7	84%	0.838	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	146.2	174.7	-28.1	36	0	0	0	113	Q130	P128-Q130 PolarHBondContact O-N 3.37Å
129	G	87.5	Confident	94.5	Very high	87 Å²	87	72.9 Å²	72.9	90%	0.897	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	-26.8	-175	0	0	0	0	0	115.3
130	Q	89.8	Confident	94.2	Very high	111 Å²	111	69.8 Å²	69.8	52%	0.519	40%	0.396	S	S	.	.			trans	-76.9	137.5	179.6	-58.5	-164.2	-0.3	0	0	111.9	K127 P128	K127-Q130 HydrophobicContact CB-CB 4.44Å; K127-Q130 HydrophobicContact CB-CG 4.08Å; K127-Q130 WeakPolarHBondContact O-CB 3.32Å; K127-Q130 PolarHBondContact O-N 2.94Å; P128-Q130 PolarHBondContact O-N 3.37Å
131	K	89.5	Confident	93.9	Very high	184 Å²	184	76.5 Å²	76.5	80%	0.8	43%	0.426	S	S	*	.	S	Bend	trans	-85.1	-10.6	177.4	-67.5	173.3	-176.9	164.9	0	113.1	F149	K131-F149 VanDerWaalsContact O-CD1 3.29Å; K131-F149 WeakPolarHBondContact O-CD1 2.96Å
132	K	95.6	Very high	93.8	Very high	106 Å²	106	72 Å²	72	46%	0.461	41%	0.405	S	S	.	.			trans	-121.8	141.2	-178.9	-161.6	-171.8	80.8	158.4	0	108.3	S150	K132-S150 WeakPolarHBondContact CD-O 2.99Å; K132-S150 WeakPolarHBondContact CG-O 3.41Å
133	C	96.9	Very high	93.7	Very high	5 Å²	5	70 Å²	70	3%	0.034	40%	0.399	C	S	.	.			trans	-112	157.7	173.8	-53.9	0	0	0	0	110.3	V115 C124 D125 C126 F149 S150	V115-C133 HydrophobicContact CB-CB 4.46Å; C124-C133 HydrophobicContact CB-CB 4.15Å; D125-C133 CarbonylContact O-C 3.44Å; D125-C133 WeakPolarHBondContact O-CA 3.46Å; D125-C133 VanDerWaalsContact O-CB 3.27Å; D125-C133 WeakPolarHBondContact O-CB 3.35Å; C126-C133 WeakPolarHBondContact CA-SG 3.31Å; C126-C133 HydrophobicContact CB-CB 4Å; C126-C133 WeakPolarHBondContact CB-SG 3.32Å; C126-C133 WeakPolarHBondContact SG-CB 3.28Å; C126-C133 CovalentContact SG-SG 2.03Å; C126-C133 PolarHBondContact SG-SG 3.25Å; C133-F149 PolarHBondContact N-O 2.84Å; C133-S150 WeakPolarHBondContact O-CA 3.49Å
134	T	97	Very high	93.7	Very high	54 Å²	54	65.7 Å²	65.7	33%	0.331	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-95.6	95.7	177.2	-53.6	0	0	0	0	109.2	C124 D125 H136	C124-T134 WeakPolarHBondContact CA-O 3.09Å; D125-T134 PolarHBondContact N-O 3.26Å; D125-T134 PolarHBondContact O-N 2.95Å; T134-H136 WeakPolarHBondContact CG2-CE1 3.27Å; T134-H136 VanDerWaalsContact CG2-NE2 3.33Å; T134-H136 WeakPolarHBondContact CG2-NE2 3.3Å; T134-H136 PolarHBondContact O-N 2.93Å
135	C	97.2	Very high	93.7	Very high	0 Å²	0	65 Å²	65	0%	0	37%	0.366	C	S	.	.			trans	-95.5	68.8	-178.6	-69.6	0	0	0	0	111.7	C124 S143 W144 L145	C124-C135 HydrophobicContact CB-CB 4.03Å; C124-C135 WeakPolarHBondContact CB-SG 3.48Å; C124-C135 WeakPolarHBondContact SG-CA 3.15Å; C124-C135 WeakPolarHBondContact SG-CB 3.4Å; C124-C135 CovalentContact SG-SG 2.04Å; C124-C135 PolarHBondContact SG-SG 2.98Å; C135-S143 WeakPolarHBondContact O-CA 3.47Å; C135-W144 HydrophobicContact CB-CZ2 4.22Å; C135-W144 PolarHBondContact O-N 3.48Å; C135-W144 PolarHBondContact O-NE1 3Å; C135-L145 HydrophobicContact CB-CB 4.33Å
136	H	96.3	Very high	93.8	Very high	48 Å²	48	61.9 Å²	61.9	22%	0.222	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-84.8	152.9	-177.7	-72.8	-177.9	0	0	0	113.4	Q122 T134 K140 E141 E142	Q122-H136 PolarHBondContact NE2-O 3.31Å; T134-H136 WeakPolarHBondContact CG2-CE1 3.27Å; T134-H136 VanDerWaalsContact CG2-NE2 3.33Å; T134-H136 WeakPolarHBondContact CG2-NE2 3.3Å; T134-H136 PolarHBondContact O-N 2.93Å; H136-K140 WeakPolarHBondContact CB-O 3.46Å; H136-E141 PolarHBondContact CE1-O 3.12Å; H136-E141 PolarHBondContact NE2-O 3.16Å; H136-E142 CarbonylContact C-O 3.33Å; H136-E142 WeakPolarHBondContact CA-O 3.48Å
137	R	95.3	Very high	93.9	Very high	1 Å²	1	60.6 Å²	60.6	0%	0.004	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-65.2	149.8	170.7	-56.5	-175.4	-172	-70.5	-0	110.4	I91 G93 D94 D95 Q122 G139 K140 E142 W144	I91-R137 WeakPolarHBondContact O-CD 3.46Å; I91-R137 WeakPolarHBondContact O-CG 3.35Å; I91-R137 PolarHBondContact O-NH1 3.48Å; G93-R137 VanDerWaalsContact O-CD 3.32Å; G93-R137 WeakPolarHBondContact O-CD 3.35Å; G93-R137 PolarHBondContact O-NE 3.44Å; G93-R137 PolarHBondContact O-NH1 3.08Å; D94-R137 PolarHBondContact O-NH2 2.97Å; D95-R137 VanDerWaalsContact O-CZ 3.28Å; D95-R137 PolarHBondContact O-NH1 3.46Å; D95-R137 PolarHBondContact O-NH2 3.43Å; Q122-R137 VanDerWaalsContact NE2-C 3.27Å; Q122-R137 PolarHBondContact NE2-O 3.01Å; R137-G139 PolarHBondContact O-N 2.95Å; R137-G139 VanDerWaalsContact O-N 3.11Å; R137-K140 HydrophobicContact CB-CB 4.28Å; R137-K140 HydrophobicContact CB-CD 4.18Å; R137-K140 PolarHBondContact O-N 3.27Å; R137-E142 WeakPolarHBondContact CD-OE2 3.45Å; R137-E142 HydrophobicContact CG-CB 4.18Å; R137-E142 PolarHBondContact N-O 3.22Å; R137-E142 IonicContact NE-OE2 2.71Å; R137-E142 PolarHBondContact NE-OE2 3.07Å; R137-W144 HydrophobicContact CG-CB 4.19Å
138	P	94.6	Very high	94.2	Very high	25 Å²	25	59.5 Å²	59.5	16%	0.162	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	118.3	173.5	-27.9	36	0	0	0	112	K92 Q122 K140	K92-P138 HydrophobicContact CG-CB 4.41Å; K92-P138 HydrophobicContact CG-CG 4.13Å; Q122-P138 HydrophobicContact CB-CB 4.36Å; Q122-P138 HydrophobicContact CB-CG 4.08Å; P138-K140 PolarHBondContact O-N 3.42Å
139	G	90.6	Very high	94.5	Very high	77 Å²	77	54.6 Å²	54.6	79%	0.794	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	16	176.3	0	0	0	0	0	117.1	R137	R137-G139 PolarHBondContact O-N 2.95Å; R137-G139 VanDerWaalsContact O-N 3.11Å
140	K	90.9	Very high	95	Very high	84 Å²	84	50.6 Å²	50.6	37%	0.365	26%	0.257	S	S	.	.	S	Bend	trans	-135.1	163.8	174.6	-60.4	170.4	162.8	-174.3	0	111.2	K92 G93 H136 R137 P138 E142	K92-K140 PolarHBondContact O-NZ 3.35Å; G93-K140 PolarHBondContact O-NZ 3.43Å; H136-K140 WeakPolarHBondContact CB-O 3.46Å; R137-K140 HydrophobicContact CB-CB 4.28Å; R137-K140 HydrophobicContact CB-CD 4.18Å; R137-K140 PolarHBondContact O-N 3.27Å; P138-K140 PolarHBondContact O-N 3.42Å; K140-E142 VanDerWaalsContact C-N 3.34Å; K140-E142 HydrophobicContact CB-CB 4.47Å; K140-E142 HydrophobicContact CB-CG 4.39Å; K140-E142 HydrophobicContact CD-CG 4.34Å; K140-E142 VanDerWaalsContact CD-OE2 3.25Å; K140-E142 WeakPolarHBondContact CD-OE2 3.41Å; K140-E142 WeakPolarHBondContact CE-OE2 3.47Å; K140-E142 IonicContact NZ-OE2 3.79Å; K140-E142 PolarHBondContact NZ-OE2 3.39Å
141	E	90.4	Very high	95.3	Very high	175 Å²	175	46.4 Å²	46.4	82%	0.818	24%	0.239	S	C	*	.	S	Bend	trans	-92.4	13.8	169.8	-58.4	-157.9	142.6	0	0	114.2	H136	H136-E141 PolarHBondContact CE1-O 3.12Å; H136-E141 PolarHBondContact NE2-O 3.16Å
142	E	91.9	Very high	95.6	Very high	47 Å²	47	38.3 Å²	38.3	22%	0.22	21%	0.208	C	C	.	.			trans	-82.7	140.5	175.8	-59.8	-171	118.5	0	0	111.7	H136 R137 K140 R182	H136-E142 CarbonylContact C-O 3.33Å; H136-E142 WeakPolarHBondContact CA-O 3.48Å; R137-E142 WeakPolarHBondContact CD-OE2 3.45Å; R137-E142 HydrophobicContact CG-CB 4.18Å; R137-E142 PolarHBondContact N-O 3.22Å; R137-E142 IonicContact NE-OE2 2.71Å; R137-E142 PolarHBondContact NE-OE2 3.07Å; K140-E142 VanDerWaalsContact C-N 3.34Å; K140-E142 HydrophobicContact CB-CB 4.47Å; K140-E142 HydrophobicContact CB-CG 4.39Å; K140-E142 HydrophobicContact CD-CG 4.34Å; K140-E142 VanDerWaalsContact CD-OE2 3.25Å; K140-E142 WeakPolarHBondContact CD-OE2 3.41Å; K140-E142 WeakPolarHBondContact CE-OE2 3.47Å; K140-E142 IonicContact NZ-OE2 3.79Å; K140-E142 PolarHBondContact NZ-OE2 3.39Å; E142-R182 IonicContact OE1-CZ 2.84Å; E142-R182 IonicContact OE1-NE 3.08Å; E142-R182 IonicContact OE1-NH2 3.39Å; E142-R182 PolarHBondContact OE1-NH2 2.97Å
143	S	95	Very high	95.7	Very high	26 Å²	26	37.3 Å²	37.3	18%	0.182	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-88	129.4	173.6	-68.6	0	0	0	0	112.5	C135 M172	C135-S143 WeakPolarHBondContact O-CA 3.47Å; S143-M172 VanDerWaalsContact O-CE 3.3Å; S143-M172 WeakPolarHBondContact O-CE 3.5Å
144	W	96.6	Very high	95.6	Very high	1 Å²	1	40 Å²	40	0%	0.004	22%	0.22	C	C	.	.	S	Bend	trans	-89	-7.7	174.5	61.4	-94.7	0	0	0	113.8	F89 I91 V96 I97 I118 L120 C135 R137	F89-W144 HydrophobicContact CE1-CE3 4.4Å; F89-W144 HydrophobicContact CZ-CB 4.5Å; F89-W144 AromaticContact CZ-CE3 3.98Å; F89-W144 HydrophobicContact CZ-CE3 3.98Å; I91-W144 HydrophobicContact CD1-CD2 3.88Å; I91-W144 HydrophobicContact CD1-CE3 4.48Å; I91-W144 HydrophobicContact CD1-CG 3.91Å; I91-W144 HydrophobicContact CG1-CB 3.94Å; I91-W144 HydrophobicContact CG1-CD2 4.11Å; I91-W144 HydrophobicContact CG1-CG 3.69Å; V96-W144 WeakPolarHBondContact CA-O 3.44Å; I97-W144 HydrophobicContact CD1-CZ3 4.35Å; I97-W144 PolarHBondContact N-O 2.88Å; I118-W144 HydrophobicContact CD1-CH2 4.24Å; L120-W144 HydrophobicContact CD1-CH2 4.11Å; L120-W144 HydrophobicContact CD1-CZ2 3.5Å; C135-W144 HydrophobicContact CB-CZ2 4.22Å; C135-W144 PolarHBondContact O-N 3.48Å; C135-W144 PolarHBondContact O-NE1 3Å; R137-W144 HydrophobicContact CG-CB 4.19Å
145	L	98.1	Very high	95.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	118.3	-178.2	-179.8	66.4	0	0	0	110.4	I97 L114 V115 C135 S150	I97-L145 HydrophobicContact CB-CD1 3.94Å; I97-L145 HydrophobicContact CG2-CD1 3.74Å; I97-L145 CarbonylContact O-C 3.59Å; I97-L145 WeakPolarHBondContact O-CA 3.29Å; L114-L145 HydrophobicContact CB-CD2 3.98Å; L114-L145 HydrophobicContact CD1-CD1 4.21Å; V115-L145 HydrophobicContact CG1-CD2 3.66Å; C135-L145 HydrophobicContact CB-CB 4.33Å; L145-S150 VanDerWaalsContact O-CB 3.3Å; L145-S150 WeakPolarHBondContact O-CB 3.27Å; L145-S150 PolarHBondContact O-OG 3.5Å
146	F	98.4	Very high	95.6	Very high	8 Å²	8	38.1 Å²	38.1	4%	0.035	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	113.5	166.5	-166.8	-78.5	0	0	0	109.6	V96 I97 V98 F99 T151 C155 L164 V168 V171 M172	V96-F146 HydrophobicContact CG1-CB 4.15Å; I97-F146 PolarHBondContact O-N 2.95Å; V98-F146 HydrophobicContact CG1-CB 4.3Å; V98-F146 HydrophobicContact CG1-CD1 4.15Å; V98-F146 HydrophobicContact CG2-CB 4.24Å; F99-F146 PolarHBondContact N-O 3.18Å; F146-T151 HydrophobicContact CD2-CG2 3.74Å; F146-T151 WeakPolarHBondContact CD2-OG1 3.43Å; F146-T151 HydrophobicContact CE2-CG2 4.22Å; F146-T151 HydrophobicContact CG-CG2 4.27Å; F146-T151 WeakPolarHBondContact CG-OG1 3.19Å; F146-C155 HydrophobicContact CZ-CB 4.26Å; F146-L164 HydrophobicContact CD1-CD2 4.27Å; F146-L164 HydrophobicContact CE1-CD2 3.73Å; F146-V168 HydrophobicContact CD1-CG2 3.93Å; F146-V168 HydrophobicContact CD2-CG1 4.08Å; F146-V168 HydrophobicContact CD2-CG2 4.26Å; F146-V168 HydrophobicContact CE1-CG2 3.79Å; F146-V168 HydrophobicContact CE2-CG2 4.13Å; F146-V168 HydrophobicContact CG-CG1 4.19Å; F146-V168 HydrophobicContact CG-CG2 4.17Å; F146-V168 HydrophobicContact CZ-CG2 3.9Å; F146-V171 HydrophobicContact CE2-CG1 4.05Å; F146-M172 HydrophobicContact CD2-CG 4.19Å; F146-M172 HydrophobicContact CD2-SD 3.88Å
147	S	98.3	Very high	95.7	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.014	21%	0.207	C	C	.	.	S	Bend	trans	-165.9	162.7	-178.5	81.9	0	0	0	0	112.2	F149 S150 T151 G152	S147-F149 PolarHBondContact O-N 3.01Å; S147-F149 PolarHBondContact OG-N 2.85Å; S147-S150 PolarHBondContact N-OG 3.41Å; S147-S150 VanDerWaalsContact N-OG 3.11Å; S147-S150 PolarHBondContact O-N 3.26Å; S147-S150 PolarHBondContact O-OG 3.24Å; S147-S150 PolarHBondContact OG-N 3.33Å; S147-S150 PolarHBondContact OG-OG 3.35Å; S147-T151 PolarHBondContact N-OG1 2.77Å; S147-T151 PolarHBondContact O-N 3.04Å; S147-T151 PolarHBondContact O-OG1 3.24Å; S147-G152 CarbonylContact C-O 3.6Å; S147-G152 PolarHBondContact O-N 2.74Å
148	R	97.7	Very high	95.8	Very high	79 Å²	79	38 Å²	38	30%	0.298	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-43.6	-37.4	169.3	-179.3	-171.5	-179.1	-159.8	4.2	114.1	T108 G152 W153	T108-R148 PolarHBondContact OG1-NH1 3.1Å; T108-R148 VanDerWaalsContact OG1-NH1 3.12Å; R148-G152 WeakPolarHBondContact CA-O 3.46Å; R148-G152 PolarHBondContact N-O 2.7Å; R148-G152 WeakPolarHBondContact O-CA 3.21Å; R148-W153 HydrophobicContact CB-CD2 4.44Å; R148-W153 HydrophobicContact CB-CE3 4.4Å; R148-W153 HydrophobicContact CB-CH2 3.99Å; R148-W153 HydrophobicContact CB-CZ2 4.01Å; R148-W153 HydrophobicContact CB-CZ3 4.16Å; R148-W153 HydrophobicContact CG-CD2 4.3Å; R148-W153 HydrophobicContact CG-CH2 4.14Å; R148-W153 HydrophobicContact CG-CZ2 3.63Å
149	F	97.7	Very high	96	Very high	26 Å²	26	37 Å²	37	11%	0.114	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	3.8	-173.1	-63.1	-37	0	0	0	113.7	T108 R112 V115 K131 C133 S147	T108-F149 HydrophobicContact CG2-CZ 4.28Å; R112-F149 HydrophobicContact CB-CE2 4.49Å; V115-F149 HydrophobicContact CG1-CB 3.9Å; V115-F149 HydrophobicContact CG2-CB 3.97Å; K131-F149 VanDerWaalsContact O-CD1 3.29Å; K131-F149 WeakPolarHBondContact O-CD1 2.96Å; C133-F149 PolarHBondContact N-O 2.84Å; S147-F149 PolarHBondContact O-N 3.01Å; S147-F149 PolarHBondContact OG-N 2.85Å
150	S	96.8	Very high	96.4	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.021	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-62.1	176.9	52.9	0	0	0	0	112.4	K132 C133 L145 S147	K132-S150 WeakPolarHBondContact CD-O 2.99Å; K132-S150 WeakPolarHBondContact CG-O 3.41Å; C133-S150 WeakPolarHBondContact O-CA 3.49Å; L145-S150 VanDerWaalsContact O-CB 3.3Å; L145-S150 WeakPolarHBondContact O-CB 3.27Å; L145-S150 PolarHBondContact O-OG 3.5Å; S147-S150 PolarHBondContact N-OG 3.41Å; S147-S150 VanDerWaalsContact N-OG 3.11Å; S147-S150 PolarHBondContact O-N 3.26Å; S147-S150 PolarHBondContact O-OG 3.24Å; S147-S150 PolarHBondContact OG-N 3.33Å; S147-S150 PolarHBondContact OG-OG 3.35Å
151	T	96.2	Very high	96.8	Very high	24 Å²	24	31.6 Å²	31.6	15%	0.147	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-33.7	175.1	47.9	0	0	0	0	111.9	F146 S147 S154 M172	F146-T151 HydrophobicContact CD2-CG2 3.74Å; F146-T151 WeakPolarHBondContact CD2-OG1 3.43Å; F146-T151 HydrophobicContact CE2-CG2 4.22Å; F146-T151 HydrophobicContact CG-CG2 4.27Å; F146-T151 WeakPolarHBondContact CG-OG1 3.19Å; S147-T151 PolarHBondContact N-OG1 2.77Å; S147-T151 PolarHBondContact O-N 3.04Å; S147-T151 PolarHBondContact O-OG1 3.24Å; T151-S154 PolarHBondContact O-OG 2.89Å; T151-M172 HydrophobicContact CG2-SD 4.45Å
152	G	96.3	Very high	97.2	Very high	14 Å²	14	23.3 Å²	23.3	14%	0.144	12%	0.12	C	C	.	.			trans	106.5	-142.7	-176.4	0	0	0	0	0	111.3	S147 R148	S147-G152 CarbonylContact C-O 3.6Å; S147-G152 PolarHBondContact O-N 2.74Å; R148-G152 WeakPolarHBondContact CA-O 3.46Å; R148-G152 PolarHBondContact N-O 2.7Å; R148-G152 WeakPolarHBondContact O-CA 3.21Å
153	W	96.7	Very high	97.5	Very high	85 Å²	85	21.4 Å²	21.4	32%	0.322	11%	0.111	S	C	.	.	S	Bend	trans	-106.1	45	174.9	-67.6	133.2	0	0	0	111.2	H101 R148 C155 G156 L157 H158	H101-W153 HydrophobicContact CB-CH2 4.31Å; H101-W153 AromaticContact ND1-CH2 3.67Å; R148-W153 HydrophobicContact CB-CD2 4.44Å; R148-W153 HydrophobicContact CB-CE3 4.4Å; R148-W153 HydrophobicContact CB-CH2 3.99Å; R148-W153 HydrophobicContact CB-CZ2 4.01Å; R148-W153 HydrophobicContact CB-CZ3 4.16Å; R148-W153 HydrophobicContact CG-CD2 4.3Å; R148-W153 HydrophobicContact CG-CH2 4.14Å; R148-W153 HydrophobicContact CG-CZ2 3.63Å; W153-C155 PolarHBondContact O-N 2.8Å; W153-C155 VanDerWaalsContact O-N 3.09Å; W153-G156 WeakPolarHBondContact CB-O 3.06Å; W153-G156 PolarHBondContact O-N 3Å; W153-L157 HydrophobicContact CD2-CD1 4.16Å; W153-L157 HydrophobicContact CG-CD1 4.26Å; W153-L157 HydrophobicContact CZ2-CD1 3.88Å; W153-L157 VanDerWaalsContact NE1-CD1 3.26Å; W153-H158 VanDerWaalsContact CE3-N 3.35Å; W153-H158 HydrophobicContact CH2-CB 4.16Å; W153-H158 AromaticContact CH2-CD2 3.74Å; W153-H158 AromaticContact CH2-CE1 3.95Å; W153-H158 AromaticContact CH2-CG 3.59Å; W153-H158 AromaticContact CH2-ND1 3.73Å; W153-H158 AromaticContact CH2-NE2 3.99Å; W153-H158 AromaticContact CZ2-CD2 3.59Å; W153-H158 AromaticContact CZ2-CG 3.94Å; W153-H158 AromaticContact CZ2-NE2 3.75Å; W153-H158 VanDerWaalsContact CZ3-CA 3.45Å
154	S	96.3	Very high	97.6	Very high	61 Å²	61	20.4 Å²	20.4	43%	0.427	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-17.1	-171.5	-44.8	0	0	0	0	114.7	T151	T151-S154 PolarHBondContact O-OG 2.89Å
155	C	97.4	Very high	97.7	Very high	9 Å²	9	22.1 Å²	22.1	6%	0.061	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	18.9	176.1	-67.3	0	0	0	0	112.8	F146 W153 A159 L164 C167	F146-C155 HydrophobicContact CZ-CB 4.26Å; W153-C155 PolarHBondContact O-N 2.8Å; W153-C155 VanDerWaalsContact O-N 3.09Å; C155-A159 HydrophobicContact CB-CB 4.18Å; C155-A159 WeakPolarHBondContact O-CB 3.36Å; C155-L164 HydrophobicContact CB-CD2 4.14Å; C155-C167 WeakPolarHBondContact CA-SG 3.31Å; C155-C167 HydrophobicContact CB-CB 3.61Å; C155-C167 WeakPolarHBondContact CB-SG 3.43Å; C155-C167 WeakPolarHBondContact SG-CB 3.34Å; C155-C167 CovalentContact SG-SG 2.03Å; C155-C167 PolarHBondContact SG-SG 3.46Å
156	G	96.8	Very high	97.6	Very high	6 Å²	6	27.8 Å²	27.8	6%	0.062	14%	0.144	C	C	.	.			trans	111.2	156	-176.2	0	0	0	0	0	114.1	W153 H158 A159	W153-G156 WeakPolarHBondContact CB-O 3.06Å; W153-G156 PolarHBondContact O-N 3Å; G156-H158 PolarHBondContact O-N 3.42Å; G156-A159 PolarHBondContact O-N 2.86Å
157	L	97.9	Very high	97.5	Very high	31 Å²	31	29 Å²	29	16%	0.162	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	115.8	176.8	169.8	61.8	0	0	0	110.1	W153 A159 W210 T212 A213	W153-L157 HydrophobicContact CD2-CD1 4.16Å; W153-L157 HydrophobicContact CG-CD1 4.26Å; W153-L157 HydrophobicContact CZ2-CD1 3.88Å; W153-L157 VanDerWaalsContact NE1-CD1 3.26Å; L157-A159 VanDerWaalsContact C-N 3.28Å; L157-A159 PolarHBondContact O-N 3.18Å; L157-W210 HydrophobicContact CD2-CB 4.07Å; L157-T212 WeakPolarHBondContact CB-O 3.22Å; L157-T212 VanDerWaalsContact CD2-OG1 3.29Å; L157-T212 WeakPolarHBondContact CD2-OG1 3.44Å; L157-A213 WeakPolarHBondContact O-CB 3.29Å
158	H	98.1	Very high	97.4	Very high	15 Å²	15	28.9 Å²	28.9	7%	0.069	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	41.3	-173.5	-75.7	-91.7	0	0	0	113	H101 W153 G156 D160 W210 M259	H101-H158 AromaticContact CE1-CE1 3.48Å; H101-H158 PolarHBondContact CE1-CE1 3.38Å; H101-H158 VanDerWaalsContact CE1-CE1 3.48Å; H101-H158 AromaticContact CG-CE1 3.95Å; H101-H158 AromaticContact ND1-CE1 3.59Å; H101-H158 AromaticContact ND1-ND1 3.99Å; H101-H158 AromaticContact NE2-CE1 3.8Å; H101-H158 PolarHBondContact O-ND1 2.88Å; W153-H158 VanDerWaalsContact CE3-N 3.35Å; W153-H158 HydrophobicContact CH2-CB 4.16Å; W153-H158 AromaticContact CH2-CD2 3.74Å; W153-H158 AromaticContact CH2-CE1 3.95Å; W153-H158 AromaticContact CH2-CG 3.59Å; W153-H158 AromaticContact CH2-ND1 3.73Å; W153-H158 AromaticContact CH2-NE2 3.99Å; W153-H158 AromaticContact CZ2-CD2 3.59Å; W153-H158 AromaticContact CZ2-CG 3.94Å; W153-H158 AromaticContact CZ2-NE2 3.75Å; W153-H158 VanDerWaalsContact CZ3-CA 3.45Å; G156-H158 PolarHBondContact O-N 3.42Å; H158-D160 PolarHBondContact O-N 3.4Å; H158-W210 AromaticContact CD2-CD1 3.36Å; H158-W210 AromaticContact CD2-NE1 3.34Å; H158-W210 PolarHBondContact CD2-NE1 3.09Å; H158-W210 VanDerWaalsContact CD2-NE1 3.34Å; H158-W210 AromaticContact NE2-CD1 3.76Å; H158-W210 AromaticContact NE2-NE1 3.22Å; H158-W210 PolarHBondContact NE2-NE1 3.35Å; H158-M259 HydrophobicContact CB-CE 4.44Å; H158-M259 WeakPolarHBondContact O-CE 3.26Å
159	A	98.4	Very high	97.2	Very high	5 Å²	5	27 Å²	27	4%	0.041	15%	0.151	C	C	.	.			trans	-45.1	128.1	176.3	0	0	0	0	0	112.7	C155 G156 L157 E163 L164	C155-A159 HydrophobicContact CB-CB 4.18Å; C155-A159 WeakPolarHBondContact O-CB 3.36Å; G156-A159 PolarHBondContact O-N 2.86Å; L157-A159 VanDerWaalsContact C-N 3.28Å; L157-A159 PolarHBondContact O-N 3.18Å; A159-E163 VanDerWaalsContact CA-OE2 3.28Å; A159-E163 WeakPolarHBondContact CA-OE2 3.45Å; A159-E163 HydrophobicContact CB-CB 4.02Å; A159-L164 HydrophobicContact CB-CD2 3.75Å; A159-L164 HydrophobicContact CB-CG 3.81Å; A159-L164 WeakPolarHBondContact O-CD1 3.31Å
160	D	98.6	Very high	96.9	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.011	18%	0.178	C	C	.	.			trans	-87.1	-172.9	-179	71	39	0	0	0	114.1	H158 T162 E163 L164 M259	H158-D160 PolarHBondContact O-N 3.4Å; D160-T162 VanDerWaalsContact C-N 3.33Å; D160-T162 PolarHBondContact O-N 3.05Å; D160-T162 WeakPolarHBondContact OD1-CA 3.5Å; D160-T162 WeakPolarHBondContact OD1-CB 3.43Å; D160-T162 PolarHBondContact OD1-N 3.3Å; D160-E163 PolarHBondContact N-OE2 3.06Å; D160-E163 VanDerWaalsContact N-OE2 3.09Å; D160-E163 PolarHBondContact O-N 3.02Å; D160-E163 PolarHBondContact OD1-N 3.46Å; D160-L164 VanDerWaalsContact O-CB 3.26Å; D160-L164 WeakPolarHBondContact O-CB 3.41Å; D160-L164 VanDerWaalsContact O-CG 3.22Å; D160-L164 WeakPolarHBondContact O-CG 3.39Å; D160-L164 PolarHBondContact O-N 2.85Å; D160-M259 HydrophobicContact CB-CB 3.84Å; D160-M259 HydrophobicContact CB-CE 4.07Å; D160-M259 HydrophobicContact CB-CG 3.93Å
161	W	98.8	Very high	96.7	Very high	44 Å²	44	33.2 Å²	33.2	17%	0.167	19%	0.19	C	C	.	.	H	α-helix	trans	-62.1	-39.3	-179.4	-175.8	97.9	0	0	0	112.6	L100 T165 M259 D262 N290	L100-W161 HydrophobicContact CD1-CB 3.9Å; W161-T165 HydrophobicContact CD2-CG2 3.94Å; W161-T165 HydrophobicContact CE3-CG2 4.35Å; W161-T165 HydrophobicContact CG-CG2 4.4Å; W161-T165 HydrophobicContact CH2-CG2 4.26Å; W161-T165 HydrophobicContact CZ2-CG2 3.86Å; W161-T165 HydrophobicContact CZ3-CG2 4.46Å; W161-T165 WeakPolarHBondContact O-CB 3.48Å; W161-T165 VanDerWaalsContact O-CG2 3.29Å; W161-T165 WeakPolarHBondContact O-CG2 3.47Å; W161-T165 PolarHBondContact O-N 3.47Å; W161-T165 PolarHBondContact O-OG1 3.18Å; W161-M259 PolarHBondContact N-O 3.18Å; W161-D262 HydrophobicContact CE3-CB 3.93Å; W161-D262 HydrophobicContact CH2-CB 4.04Å; W161-D262 HydrophobicContact CZ3-CB 3.38Å; W161-N290 VanDerWaalsContact CD2-ND2 3.33Å; W161-N290 VanDerWaalsContact CE2-CG 3.44Å; W161-N290 WeakPolarHBondContact CZ2-ND2 3.32Å; W161-N290 WeakPolarHBondContact CZ2-OD1 3.25Å
162	T	98.6	Very high	96.3	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.012	19%	0.189	C	C	.	.	H	α-helix	trans	-70.7	-43.1	179.9	-56.8	0	0	0	0	109.8	D160 T165 N166 C217 A261 L263	D160-T162 VanDerWaalsContact C-N 3.33Å; D160-T162 PolarHBondContact O-N 3.05Å; D160-T162 WeakPolarHBondContact OD1-CA 3.5Å; D160-T162 WeakPolarHBondContact OD1-CB 3.43Å; D160-T162 PolarHBondContact OD1-N 3.3Å; T162-T165 PolarHBondContact O-OG1 3.41Å; T162-N166 PolarHBondContact O-ND2 2.83Å; T162-C217 HydrophobicContact CG2-CB 4.24Å; T162-A261 PolarHBondContact OG1-O 2.94Å; T162-L263 HydrophobicContact CG2-CB 4.48Å; T162-L263 PolarHBondContact OG1-N 3.23Å
163	E	98.4	Very high	95.5	Very high	6 Å²	6	35.4 Å²	35.4	3%	0.028	20%	0.197	C	C	.	.	H	α-helix	trans	-64.8	-47.5	176.7	-63.7	-176.1	107.5	0	0	111.9	A159 D160 C167 H215 M216	A159-E163 VanDerWaalsContact CA-OE2 3.28Å; A159-E163 WeakPolarHBondContact CA-OE2 3.45Å; A159-E163 HydrophobicContact CB-CB 4.02Å; D160-E163 PolarHBondContact N-OE2 3.06Å; D160-E163 VanDerWaalsContact N-OE2 3.09Å; D160-E163 PolarHBondContact O-N 3.02Å; D160-E163 PolarHBondContact OD1-N 3.46Å; E163-C167 WeakPolarHBondContact O-CB 3.33Å; E163-C167 PolarHBondContact O-N 3.1Å; E163-C167 VanDerWaalsContact O-N 3.11Å; E163-H215 WeakPolarHBondContact OE1-CA 3.45Å; E163-H215 PolarHBondContact OE1-N 2.86Å; E163-M216 HydrophobicContact CG-CB 4.11Å; E163-M216 WeakPolarHBondContact CG-O 3.49Å; E163-M216 PolarHBondContact OE1-N 3.47Å
164	L	98.2	Very high	93.8	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.031	21%	0.214	C	C	.	.	H	α-helix	trans	-71	-42.2	-175.6	-70.9	170.3	0	0	0	113.2	V98 L100 F146 C155 A159 D160 N166 C167 V168 Y186	V98-L164 HydrophobicContact CG1-CD1 4.46Å; L100-L164 HydrophobicContact CB-CD1 3.75Å; L100-L164 HydrophobicContact CD1-CD1 4.18Å; L100-L164 HydrophobicContact CG-CD1 3.72Å; F146-L164 HydrophobicContact CD1-CD2 4.27Å; F146-L164 HydrophobicContact CE1-CD2 3.73Å; C155-L164 HydrophobicContact CB-CD2 4.14Å; A159-L164 HydrophobicContact CB-CD2 3.75Å; A159-L164 HydrophobicContact CB-CG 3.81Å; A159-L164 WeakPolarHBondContact O-CD1 3.31Å; D160-L164 VanDerWaalsContact O-CB 3.26Å; D160-L164 WeakPolarHBondContact O-CB 3.41Å; D160-L164 VanDerWaalsContact O-CG 3.22Å; D160-L164 WeakPolarHBondContact O-CG 3.39Å; D160-L164 PolarHBondContact O-N 2.85Å; L164-N166 VanDerWaalsContact C-N 3.31Å; L164-N166 PolarHBondContact O-N 2.72Å; L164-C167 PolarHBondContact O-N 3.32Å; L164-V168 HydrophobicContact CB-CG2 4.07Å; L164-V168 HydrophobicContact CD2-CG2 3.62Å; L164-V168 HydrophobicContact CG-CG2 4.47Å; L164-V168 VanDerWaalsContact O-CB 3.3Å; L164-V168 WeakPolarHBondContact O-CB 3.33Å; L164-V168 VanDerWaalsContact O-CG2 3.27Å; L164-V168 WeakPolarHBondContact O-CG2 3.28Å; L164-V168 PolarHBondContact O-N 3.02Å; L164-Y186 HydrophobicContact CB-CE1 4.05Å
165	T	97.4	Very high	91.6	Very high	37 Å²	37	45.2 Å²	45.2	23%	0.227	23%	0.234	C	C	.	.	H	α-helix	trans	-64.7	-36.5	-177.5	50	0	0	0	0	112.5	W161 T162 P169 Y186	W161-T165 HydrophobicContact CD2-CG2 3.94Å; W161-T165 HydrophobicContact CE3-CG2 4.35Å; W161-T165 HydrophobicContact CG-CG2 4.4Å; W161-T165 HydrophobicContact CH2-CG2 4.26Å; W161-T165 HydrophobicContact CZ2-CG2 3.86Å; W161-T165 HydrophobicContact CZ3-CG2 4.46Å; W161-T165 WeakPolarHBondContact O-CB 3.48Å; W161-T165 VanDerWaalsContact O-CG2 3.29Å; W161-T165 WeakPolarHBondContact O-CG2 3.47Å; W161-T165 PolarHBondContact O-N 3.47Å; W161-T165 PolarHBondContact O-OG1 3.18Å; T162-T165 PolarHBondContact O-OG1 3.41Å; T165-P169 WeakPolarHBondContact O-CD 3.18Å; T165-Y186 HydrophobicContact CG2-CE1 4.27Å
166	N	96.6	Very high	89.2	Confident	118 Å²	118	54.3 Å²	54.3	63%	0.631	28%	0.276	S	S	*	.	H	α-helix	trans	-78.2	-30.1	176	-72.1	-75.4	0	0	0	113.4	T162 L164	T162-N166 PolarHBondContact O-ND2 2.83Å; L164-N166 VanDerWaalsContact C-N 3.31Å; L164-N166 PolarHBondContact O-N 2.72Å
167	C	96.5	Very high	87.1	Confident	33 Å²	33	55.7 Å²	55.7	22%	0.223	29%	0.287	C	S	.	.	H	α-helix	trans	-97.5	-40.6	-173	173.6	0	0	0	0	115.2	C155 E163 L164 V170 V171	C155-C167 WeakPolarHBondContact CA-SG 3.31Å; C155-C167 HydrophobicContact CB-CB 3.61Å; C155-C167 WeakPolarHBondContact CB-SG 3.43Å; C155-C167 WeakPolarHBondContact SG-CB 3.34Å; C155-C167 CovalentContact SG-SG 2.03Å; C155-C167 PolarHBondContact SG-SG 3.46Å; E163-C167 WeakPolarHBondContact O-CB 3.33Å; E163-C167 PolarHBondContact O-N 3.1Å; E163-C167 VanDerWaalsContact O-N 3.11Å; L164-C167 PolarHBondContact O-N 3.32Å; C167-V170 PolarHBondContact O-N 3.48Å; C167-V170 VanDerWaalsContact O-N 3.15Å; C167-V171 PolarHBondContact O-N 2.98Å; C167-V171 WeakPolarHBondContact SG-CG2 3.45Å
168	V	95.9	Very high	84.8	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60.7	-44.1	-169.6	172.6	0	0	0	0	113.2	V98 F146 L164 V170 V171 M172 F184	V98-V168 HydrophobicContact CG1-CG1 4.45Å; V98-V168 HydrophobicContact CG1-CG2 4.1Å; V98-V168 HydrophobicContact CG2-CG1 4Å; F146-V168 HydrophobicContact CD1-CG2 3.93Å; F146-V168 HydrophobicContact CD2-CG1 4.08Å; F146-V168 HydrophobicContact CD2-CG2 4.26Å; F146-V168 HydrophobicContact CE1-CG2 3.79Å; F146-V168 HydrophobicContact CE2-CG2 4.13Å; F146-V168 HydrophobicContact CG-CG1 4.19Å; F146-V168 HydrophobicContact CG-CG2 4.17Å; F146-V168 HydrophobicContact CZ-CG2 3.9Å; L164-V168 HydrophobicContact CB-CG2 4.07Å; L164-V168 HydrophobicContact CD2-CG2 3.62Å; L164-V168 HydrophobicContact CG-CG2 4.47Å; L164-V168 VanDerWaalsContact O-CB 3.3Å; L164-V168 WeakPolarHBondContact O-CB 3.33Å; L164-V168 VanDerWaalsContact O-CG2 3.27Å; L164-V168 WeakPolarHBondContact O-CG2 3.28Å; L164-V168 PolarHBondContact O-N 3.02Å; V168-V170 VanDerWaalsContact C-N 3.34Å; V168-V170 PolarHBondContact O-N 3.22Å; V168-V171 PolarHBondContact O-N 3.04Å; V168-M172 HydrophobicContact CG1-CG 4.06Å; V168-M172 WeakPolarHBondContact O-CB 3.46Å; V168-M172 VanDerWaalsContact O-CG 3.27Å; V168-M172 WeakPolarHBondContact O-CG 3.22Å; V168-M172 PolarHBondContact O-N 3.1Å; V168-F184 HydrophobicContact CG1-CD1 3.83Å; V168-F184 HydrophobicContact CG1-CE1 3.81Å
169	P	93.4	Very high	82.8	Confident	41 Å²	41	73.2 Å²	73.2	27%	0.266	36%	0.357	S	S	.	.	H	α-helix	trans	-58.1	-45.6	175	-24.3	35.2	0	0	0	112.1	T165 V171 M172 D173 F184	T165-P169 WeakPolarHBondContact O-CD 3.18Å; P169-V171 PolarHBondContact O-N 3.43Å; P169-M172 PolarHBondContact O-N 3.22Å; P169-D173 VanDerWaalsContact O-CB 3.24Å; P169-D173 WeakPolarHBondContact O-CB 3.36Å; P169-D173 PolarHBondContact O-N 3.2Å; P169-F184 HydrophobicContact CB-CE2 4.05Å; P169-F184 HydrophobicContact CB-CZ 4.36Å; P169-F184 HydrophobicContact CG-CD2 4.34Å; P169-F184 HydrophobicContact CG-CE2 4.02Å
170	V	91.9	Very high	81	Confident	113 Å²	113	77.6 Å²	77.6	69%	0.685	38%	0.38	S	S	*	.	H	α-helix	trans	-65.2	-37.6	-179	-174.6	0	0	0	0	112.3	C167 V168	C167-V170 PolarHBondContact O-N 3.48Å; C167-V170 VanDerWaalsContact O-N 3.15Å; V168-V170 VanDerWaalsContact C-N 3.34Å; V168-V170 PolarHBondContact O-N 3.22Å
171	V	91.8	Very high	79.9	Confident	46 Å²	46	86.8 Å²	86.8	28%	0.279	42%	0.42	S	S	.	.	H	α-helix	trans	-73.3	-35.6	178.8	169.3	0	0	0	0	112.3	F146 C167 V168 P169	F146-V171 HydrophobicContact CE2-CG1 4.05Å; C167-V171 PolarHBondContact O-N 2.98Å; C167-V171 WeakPolarHBondContact SG-CG2 3.45Å; V168-V171 PolarHBondContact O-N 3.04Å; P169-V171 PolarHBondContact O-N 3.43Å
172	M	87.5	Confident	79.3	Confident	26 Å²	26	85.7 Å²	85.7	13%	0.128	42%	0.416	C	S	.	.	H	α-helix	trans	-84.1	-44.9	-177.6	-66.7	-62.4	-69.3	0	0	112.3	V96 S143 F146 T151 V168 P169 K174 R182 F184	V96-M172 HydrophobicContact CG1-CE 4.16Å; V96-M172 HydrophobicContact CG2-CE 3.96Å; S143-M172 VanDerWaalsContact O-CE 3.3Å; S143-M172 WeakPolarHBondContact O-CE 3.5Å; F146-M172 HydrophobicContact CD2-CG 4.19Å; F146-M172 HydrophobicContact CD2-SD 3.88Å; T151-M172 HydrophobicContact CG2-SD 4.45Å; V168-M172 HydrophobicContact CG1-CG 4.06Å; V168-M172 WeakPolarHBondContact O-CB 3.46Å; V168-M172 VanDerWaalsContact O-CG 3.27Å; V168-M172 WeakPolarHBondContact O-CG 3.22Å; V168-M172 PolarHBondContact O-N 3.1Å; P169-M172 PolarHBondContact O-N 3.22Å; M172-K174 PolarHBondContact O-N 2.99Å; M172-R182 PolarHBondContact O-NH1 3.44Å; M172-F184 HydrophobicContact CB-CE1 4.17Å; M172-F184 HydrophobicContact CB-CZ 4.26Å; M172-F184 HydrophobicContact CG-CE1 4.13Å
173	D	79.6	Confident	79	Confident	57 Å²	57	89.1 Å²	89.1	31%	0.305	43%	0.434	S	S	.	.	S	Bend	trans	-88.3	48.8	-167.9	-56.4	-18.5	0	0	0	111.8	P169 R182	P169-D173 VanDerWaalsContact O-CB 3.24Å; P169-D173 WeakPolarHBondContact O-CB 3.36Å; P169-D173 PolarHBondContact O-N 3.2Å; D173-R182 WeakPolarHBondContact OD1-CD 3.3Å; D173-R182 WeakPolarHBondContact OD1-CG 3.08Å; D173-R182 IonicContact OD1-CZ 3.68Å; D173-R182 IonicContact OD1-NE 3.94Å; D173-R182 IonicContact OD1-NH1 2.68Å; D173-R182 PolarHBondContact OD1-NH1 3.05Å
174	K	62.8	Low	79	Confident	157 Å²	157	90.9 Å²	90.9	68%	0.683	44%	0.442	S	S	*	.			trans	-56.5	146	176.4	-71.3	-175.8	177.3	-177.2	0	111.3	M172 E176 A177	M172-K174 PolarHBondContact O-N 2.99Å; K174-E176 PolarHBondContact O-N 3.13Å; K174-A177 PolarHBondContact O-N 2.82Å
175	K	49.4	Very low	79	Confident	195 Å²	195	93.2 Å²	93.2	85%	0.848	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-45.1	-22.6	-156.5	-70.7	-175.3	173	-177	0	118.9
176	E	47.6	Very low	79.1	Confident	200 Å²	200	93 Å²	93	94%	0.935	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-81.8	-21.7	-179.2	-63.9	175.5	133.3	0	0	113.2	K174 Q178	K174-E176 PolarHBondContact O-N 3.13Å; E176-Q178 PolarHBondContact O-N 3.35Å
177	A	51.6	Low	79.2	Confident	35 Å²	35	87.4 Å²	87.4	29%	0.289	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-86.7	10.4	-173.1	0	0	0	0	0	115.3	K174 R179	K174-A177 PolarHBondContact O-N 2.82Å; A177-R179 PolarHBondContact O-N 2.93Å
178	Q	50.5	Low	79.3	Confident	174 Å²	174	85.8 Å²	85.8	81%	0.813	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	5.7	-169.7	-75.1	-159.4	-33.8	0	0	117.1	E176	E176-Q178 PolarHBondContact O-N 3.35Å
179	R	55.4	Low	79.4	Confident	240 Å²	240	85.9 Å²	85.9	91%	0.906	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-29.8	-179.5	-78.9	-178.1	165.2	158.4	-3	114.5	A177	A177-R179 PolarHBondContact O-N 2.93Å
180	N	60.9	Low	79.7	Confident	97 Å²	97	84 Å²	84	52%	0.519	39%	0.393	S	S	.	.	S	Bend	trans	-124.2	137	-177.8	-68.6	0.7	0	0	0	111.1	D94 R182	D94-N180 WeakPolarHBondContact OD2-CB 3.43Å; D94-N180 PolarHBondContact OD2-ND2 3.34Å; N180-R182 PolarHBondContact O-N 2.72Å
181	K	74.4	Confident	80	Confident	196 Å²	196	79.4 Å²	79.4	85%	0.852	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-78.7	117.1	171.6	-177.6	-179.1	179.9	-179	0	109.2
182	R	86.4	Confident	80.3	Confident	21 Å²	21	79.1 Å²	79.1	8%	0.079	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-73.7	146.5	179.8	-60.5	-146.3	178.3	113.6	-11.3	112.6	D94 E142 M172 D173 N180 F184	D94-R182 HydrophobicContact CB-CG 4.15Å; D94-R182 WeakPolarHBondContact O-CB 3.49Å; D94-R182 WeakPolarHBondContact O-CD 3.36Å; D94-R182 IonicContact OD1-NE 2.79Å; E142-R182 IonicContact OE1-CZ 2.84Å; E142-R182 IonicContact OE1-NE 3.08Å; E142-R182 IonicContact OE1-NH2 3.39Å; E142-R182 PolarHBondContact OE1-NH2 2.97Å; M172-R182 PolarHBondContact O-NH1 3.44Å; D173-R182 WeakPolarHBondContact OD1-CD 3.3Å; D173-R182 WeakPolarHBondContact OD1-CG 3.08Å; D173-R182 IonicContact OD1-CZ 3.68Å; D173-R182 IonicContact OD1-NE 3.94Å; D173-R182 IonicContact OD1-NH1 2.68Å; D173-R182 PolarHBondContact OD1-NH1 3.05Å; N180-R182 PolarHBondContact O-N 2.72Å; R182-F184 HydrophobicContact CB-CE1 4.46Å; R182-F184 HydrophobicContact CB-CE2 4.04Å; R182-F184 HydrophobicContact CB-CZ 3.86Å
183	N	93.8	Very high	80.8	Confident	73 Å²	73	78 Å²	78	39%	0.39	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-97.2	122.4	175.3	-61.2	-51.6	0	0	0	110.1	D95 V96 Y185	D95-N183 WeakPolarHBondContact OD1-CB 3.31Å; D95-N183 PolarHBondContact OD1-ND2 3.04Å; V96-N183 PolarHBondContact N-O 3.48Å; N183-Y185 HydrophobicContact CB-CE2 3.83Å
184	F	97	Very high	81.7	Confident	43 Å²	43	75.4 Å²	75.4	19%	0.189	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	103.6	-179	-63.8	-72.4	0	0	0	111.2	V96 V98 V168 P169 M172 R182 Y186	V96-F184 HydrophobicContact CB-CD1 3.87Å; V96-F184 HydrophobicContact CB-CE1 4.05Å; V96-F184 HydrophobicContact CG1-CD1 4.19Å; V96-F184 HydrophobicContact CG1-CE1 4.34Å; V96-F184 HydrophobicContact CG2-CD1 4.47Å; V96-F184 HydrophobicContact CG2-CE1 4.17Å; V96-F184 WeakPolarHBondContact O-CA 3.38Å; V98-F184 HydrophobicContact CG2-CB 4.13Å; V98-F184 HydrophobicContact CG2-CD1 3.94Å; V168-F184 HydrophobicContact CG1-CD1 3.83Å; V168-F184 HydrophobicContact CG1-CE1 3.81Å; P169-F184 HydrophobicContact CB-CE2 4.05Å; P169-F184 HydrophobicContact CB-CZ 4.36Å; P169-F184 HydrophobicContact CG-CD2 4.34Å; P169-F184 HydrophobicContact CG-CE2 4.02Å; M172-F184 HydrophobicContact CB-CE1 4.17Å; M172-F184 HydrophobicContact CB-CZ 4.26Å; M172-F184 HydrophobicContact CG-CE1 4.13Å; R182-F184 HydrophobicContact CB-CE1 4.46Å; R182-F184 HydrophobicContact CB-CE2 4.04Å; R182-F184 HydrophobicContact CB-CZ 3.86Å; F184-Y186 HydrophobicContact CB-CD2 4.28Å; F184-Y186 HydrophobicContact CB-CE2 3.68Å; F184-Y186 WeakPolarHBondContact O-CD2 3.44Å; F184-Y186 PolarHBondContact O-N 3.07Å
185	Y	98.4	Very high	83.3	Confident	55 Å²	55	69.5 Å²	69.5	22%	0.216	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	89.8	179.8	-62.2	-60.8	0	0	0	110.8	V87 F89 D95 V96 I97 V98 N183 A295 F314	V87-Y185 HydrophobicContact CG1-CD1 3.84Å; V87-Y185 HydrophobicContact CG1-CD2 3.94Å; V87-Y185 HydrophobicContact CG1-CE1 3.49Å; V87-Y185 VanDerWaalsContact CG1-CE1 3.49Å; V87-Y185 HydrophobicContact CG1-CE2 3.58Å; V87-Y185 HydrophobicContact CG1-CG 4.07Å; V87-Y185 HydrophobicContact CG2-CD1 4.24Å; V87-Y185 HydrophobicContact CG2-CE1 4.27Å; F89-Y185 AromaticContact CD2-CD2 3.99Å; F89-Y185 HydrophobicContact CD2-CD2 3.99Å; F89-Y185 HydrophobicContact CD2-CE2 4.19Å; D95-Y185 HydrophobicContact CB-CD2 4.29Å; D95-Y185 HydrophobicContact CB-CE2 3.85Å; V96-Y185 PolarHBondContact O-N 3.5Å; I97-Y185 WeakPolarHBondContact CA-O 3.48Å; V98-Y185 PolarHBondContact N-O 3.01Å; N183-Y185 HydrophobicContact CB-CE2 3.83Å; Y185-A295 HydrophobicContact CD1-CB 4.1Å; Y185-A295 HydrophobicContact CG-CB 4.43Å; Y185-F314 HydrophobicContact CG-CE1 4.23Å
186	Y	98.7	Very high	85.6	Confident	33 Å²	33	60.2 Å²	60.2	13%	0.129	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	133.1	177.2	-71.9	-91.9	0	0	0	111.8	V98 L164 T165 F184 M294 A295	V98-Y186 HydrophobicContact CB-CD1 3.9Å; V98-Y186 HydrophobicContact CB-CE1 3.99Å; V98-Y186 HydrophobicContact CB-CG 4.3Å; V98-Y186 HydrophobicContact CG1-CD1 3.81Å; V98-Y186 HydrophobicContact CG1-CE1 3.58Å; V98-Y186 HydrophobicContact CG2-CE1 4.44Å; V98-Y186 WeakPolarHBondContact O-CA 3.3Å; L164-Y186 HydrophobicContact CB-CE1 4.05Å; T165-Y186 HydrophobicContact CG2-CE1 4.27Å; F184-Y186 HydrophobicContact CB-CD2 4.28Å; F184-Y186 HydrophobicContact CB-CE2 3.68Å; F184-Y186 WeakPolarHBondContact O-CD2 3.44Å; F184-Y186 PolarHBondContact O-N 3.07Å; Y186-M294 WeakPolarHBondContact O-CB 3.36Å; Y186-A295 PolarHBondContact O-N 3.46Å; Y186-A295 VanDerWaalsContact O-N 3.1Å
187	I	98.9	Very high	88.1	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	152.6	174.8	68.4	174.7	0	0	0	112	I97 V98 F99 L100 F110 L114 F296 F310 F314	I97-I187 HydrophobicContact CG2-CD1 3.49Å; I97-I187 VanDerWaalsContact CG2-CD1 3.49Å; I97-I187 HydrophobicContact CG2-CG1 3.93Å; I97-I187 HydrophobicContact CG2-CG2 4.47Å; V98-I187 PolarHBondContact O-N 3.35Å; F99-I187 HydrophobicContact CB-CD1 4.38Å; F99-I187 HydrophobicContact CB-CG1 4.05Å; F99-I187 HydrophobicContact CD2-CG1 4.15Å; F99-I187 HydrophobicContact CG-CG1 4.49Å; L100-I187 PolarHBondContact N-O 3.34Å; F110-I187 HydrophobicContact CE1-CD1 3.82Å; F110-I187 HydrophobicContact CZ-CD1 4.12Å; L114-I187 HydrophobicContact CD1-CD1 4.05Å; L114-I187 HydrophobicContact CD2-CD1 4.41Å; I187-F296 WeakPolarHBondContact CA-O 3.26Å; I187-F296 HydrophobicContact CB-CD1 4.26Å; I187-F296 WeakPolarHBondContact CB-O 3.29Å; I187-F296 HydrophobicContact CG2-CB 3.82Å; I187-F296 HydrophobicContact CG2-CD1 4.23Å; I187-F310 HydrophobicContact CD1-CE2 3.95Å; I187-F314 HydrophobicContact CG2-CE2 4.01Å; I187-F314 HydrophobicContact CG2-CZ 3.69Å
188	T	98.9	Very high	90.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	172.5	177.3	-168.1	0	0	0	0	112.5	L100 L260 L291 M294 Y297 G298	L100-T188 PolarHBondContact O-OG1 2.74Å; T188-L260 HydrophobicContact CG2-CD2 4.24Å; T188-L291 HydrophobicContact CG2-CD1 3.58Å; T188-M294 HydrophobicContact CG2-CE 4.37Å; T188-M294 HydrophobicContact CG2-SD 3.61Å; T188-Y297 VanDerWaalsContact O-CA 3.28Å; T188-Y297 WeakPolarHBondContact O-CA 3.39Å; T188-G298 PolarHBondContact O-N 2.78Å
189	M	98.8	Very high	92.5	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	136.2	167.8	-73.2	-67	-54.5	0	0	109.3	F99 T105 F110 G298 T306	F99-M189 HydrophobicContact CE2-CG 4.22Å; F99-M189 HydrophobicContact CZ-CG 4.42Å; T105-M189 WeakPolarHBondContact CB-O 3.49Å; T105-M189 WeakPolarHBondContact CG2-O 3.35Å; T105-M189 VanDerWaalsContact O-CB 3.23Å; T105-M189 WeakPolarHBondContact O-CB 3.4Å; T105-M189 PolarHBondContact OG1-O 3.38Å; F110-M189 HydrophobicContact CB-CG 3.73Å; F110-M189 HydrophobicContact CB-SD 4.06Å; F110-M189 HydrophobicContact CD1-CG 3.55Å; F110-M189 HydrophobicContact CD1-SD 4Å; F110-M189 HydrophobicContact CD2-CG 4.34Å; F110-M189 HydrophobicContact CD2-SD 3.77Å; F110-M189 HydrophobicContact CE1-CG 4.24Å; F110-M189 HydrophobicContact CE1-SD 4.4Å; F110-M189 HydrophobicContact CE2-SD 4.21Å; F110-M189 HydrophobicContact CG-CG 3.61Å; F110-M189 HydrophobicContact CG-SD 3.67Å; F110-M189 HydrophobicContact CZ-SD 4.5Å; M189-G298 WeakPolarHBondContact CA-O 3.38Å; M189-G298 VanDerWaalsContact SD-CA 3.51Å; M189-T306 HydrophobicContact CE-CG2 4.15Å; M189-T306 HydrophobicContact SD-CG2 3.92Å
190	L	98.8	Very high	94.6	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	170.3	175.3	-62.3	179.5	0	0	0	112.4	I102 Q256 L260 L291 Y297 G298 L299 T300 A357	I102-L190 HydrophobicContact CD1-CD2 3.83Å; L190-Q256 HydrophobicContact CD2-CB 4.07Å; L190-Q256 HydrophobicContact CD2-CG 4.01Å; L190-L260 HydrophobicContact CD2-CD1 3.9Å; L190-L291 HydrophobicContact CD1-CD1 3.86Å; L190-L291 HydrophobicContact CD1-CD2 3.53Å; L190-L291 HydrophobicContact CD1-CG 4.36Å; L190-Y297 HydrophobicContact CD1-CD2 4.44Å; L190-G298 PolarHBondContact N-O 3.47Å; L190-L299 HydrophobicContact CB-CD2 3.8Å; L190-T300 PolarHBondContact O-N 3.42Å; L190-T300 PolarHBondContact O-OG1 3.26Å; L190-A357 HydrophobicContact CD1-CB 3.69Å
191	R	98.4	Very high	96.3	Very high	17 Å²	17	26.5 Å²	26.5	6%	0.064	12%	0.124	C	C	.	.			trans	-153.8	152.2	-179.5	-168.5	174.1	-173.9	-175.2	-2.2	111.1	T105 S195 R196 Q256 T300 E301 T328 Y354	T105-R191 HydrophobicContact CG2-CB 3.98Å; R191-S195 PolarHBondContact NH1-O 3.32Å; R191-R196 HydrophobicContact CB-CB 4.15Å; R191-R196 HydrophobicContact CG-CB 4.32Å; R191-Q256 PolarHBondContact O-NE2 2.93Å; R191-Q256 PolarHBondContact O-OE1 3.49Å; R191-T300 HydrophobicContact CG-CG2 4.22Å; R191-E301 WeakPolarHBondContact CG-OE1 3.41Å; R191-T328 PolarHBondContact NH2-OG1 3.35Å; R191-Y354 WeakPolarHBondContact O-CD2 3.44Å
192	D	97.9	Very high	97.4	Very high	40 Å²	40	19.9 Å²	19.9	21%	0.214	10%	0.095	C	C	.	.			trans	-42.4	122.4	164.4	170.3	84.2	0	0	0	111	V194 S195 R196 E301 Y354	D192-V194 PolarHBondContact O-N 3.32Å; D192-V194 PolarHBondContact OD2-N 2.91Å; D192-S195 PolarHBondContact O-N 3.36Å; D192-S195 WeakPolarHBondContact OD2-CB 3.46Å; D192-S195 PolarHBondContact OD2-N 2.92Å; D192-S195 PolarHBondContact OD2-OG 2.96Å; D192-R196 WeakPolarHBondContact O-CB 3.45Å; D192-R196 PolarHBondContact O-N 3.46Å; D192-E301 WeakPolarHBondContact CB-OE1 3.09Å; D192-E301 PolarHBondContact N-OE1 3.25Å; D192-Y354 HydrophobicContact CB-CE1 4.03Å
193	P	98.4	Very high	97.9	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.019	10%	0.102	C	C	.	.	H	α-helix	trans	-58.6	-40.5	-171.2	-32.1	38.5	0	0	0	114.7	R196 Y197 N347 D350 V351 Y354	P193-R196 PolarHBondContact O-N 3.32Å; P193-Y197 WeakPolarHBondContact O-CB 3.29Å; P193-Y197 PolarHBondContact O-N 3.35Å; P193-N347 HydrophobicContact CB-CB 4.13Å; P193-D350 HydrophobicContact CB-CB 3.98Å; P193-D350 VanDerWaalsContact CG-C 3.49Å; P193-D350 HydrophobicContact CG-CB 3.93Å; P193-D350 VanDerWaalsContact CG-O 3.32Å; P193-D350 WeakPolarHBondContact CG-O 3.41Å; P193-V351 HydrophobicContact CB-CG2 4.2Å; P193-V351 HydrophobicContact CG-CG2 4.09Å; P193-Y354 HydrophobicContact CG-CG 4.44Å
194	V	97.9	Very high	98.1	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.018	9%	0.086	C	C	.	.	H	α-helix	trans	-65.1	-48	178.9	-177.9	0	0	0	0	109.8	D192 R196 Y197 L198 L335 I343 E344	D192-V194 PolarHBondContact O-N 3.32Å; D192-V194 PolarHBondContact OD2-N 2.91Å; V194-R196 VanDerWaalsContact C-N 3.3Å; V194-R196 PolarHBondContact O-N 2.92Å; V194-Y197 PolarHBondContact O-N 3.34Å; V194-L198 HydrophobicContact CG1-CD1 3.77Å; V194-L198 HydrophobicContact CG1-CG 4.45Å; V194-L198 WeakPolarHBondContact O-CB 3.49Å; V194-L198 VanDerWaalsContact O-CG 3.3Å; V194-L198 WeakPolarHBondContact O-CG 3.38Å; V194-L198 PolarHBondContact O-N 3.48Å; V194-L335 HydrophobicContact CG1-CD1 4.25Å; V194-I343 HydrophobicContact CB-CG2 4.3Å; V194-I343 HydrophobicContact CG1-CD1 4.44Å; V194-I343 HydrophobicContact CG1-CG2 4.16Å; V194-I343 HydrophobicContact CG2-CG2 4.13Å; V194-E344 HydrophobicContact CG2-CG 3.42Å; V194-E344 VanDerWaalsContact CG2-CG 3.42Å
195	S	97.3	Very high	98.1	Very high	32 Å²	32	18.8 Å²	18.8	22%	0.224	9%	0.09	C	C	.	.	H	α-helix	trans	-63.2	-34.2	176.9	-58.1	0	0	0	0	112.9	R191 D192 S199 A330	R191-S195 PolarHBondContact NH1-O 3.32Å; D192-S195 PolarHBondContact O-N 3.36Å; D192-S195 WeakPolarHBondContact OD2-CB 3.46Å; D192-S195 PolarHBondContact OD2-N 2.92Å; D192-S195 PolarHBondContact OD2-OG 2.96Å; S195-S199 WeakPolarHBondContact O-CB 3.34Å; S195-S199 PolarHBondContact O-N 3.36Å; S195-A330 VanDerWaalsContact O-CB 3.29Å; S195-A330 WeakPolarHBondContact O-CB 3.05Å
196	R	98.4	Very high	98	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-68.9	-51.4	173.7	-171	-161.2	61.6	61.7	4.8	110.9	K104 T105 R191 D192 P193 V194 S199 E200 A252 Q256 N347 D350	K104-R196 HydrophobicContact CB-CG 4.09Å; T105-R196 HydrophobicContact CG2-CG 4.19Å; R191-R196 HydrophobicContact CB-CB 4.15Å; R191-R196 HydrophobicContact CG-CB 4.32Å; D192-R196 WeakPolarHBondContact O-CB 3.45Å; D192-R196 PolarHBondContact O-N 3.46Å; P193-R196 PolarHBondContact O-N 3.32Å; V194-R196 VanDerWaalsContact C-N 3.3Å; V194-R196 PolarHBondContact O-N 2.92Å; R196-S199 CarbonylContact O-C 3.49Å; R196-S199 WeakPolarHBondContact O-CB 3.45Å; R196-S199 PolarHBondContact O-N 2.64Å; R196-E200 IonicContact NH1-OE2 3.17Å; R196-E200 PolarHBondContact NH1-OE2 3.35Å; R196-E200 PolarHBondContact O-N 2.81Å; R196-A252 PolarHBondContact NH2-O 2.99Å; R196-Q256 VanDerWaalsContact CD-CD 3.48Å; R196-N347 PolarHBondContact NH2-OD1 2.94Å; R196-D350 IonicContact CZ-OD2 3.39Å; R196-D350 IonicContact NE-OD2 3.53Å; R196-D350 PolarHBondContact NE-OD2 2.78Å; R196-D350 IonicContact NH2-OD2 2.72Å; R196-D350 PolarHBondContact NH2-OD2 3.22Å
197	Y	98.6	Very high	97.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.3	-47.1	-177.3	-169.4	-94.1	0	0	0	111.9	P193 V194 S199 E200 W201 F244 M245 A252 N253 I343 N347	P193-Y197 WeakPolarHBondContact O-CB 3.29Å; P193-Y197 PolarHBondContact O-N 3.35Å; V194-Y197 PolarHBondContact O-N 3.34Å; Y197-S199 VanDerWaalsContact C-N 3.32Å; Y197-S199 PolarHBondContact O-N 3.22Å; Y197-E200 CarbonylContact O-C 3.18Å; Y197-E200 WeakPolarHBondContact O-CA 3.36Å; Y197-E200 VanDerWaalsContact O-CB 3.3Å; Y197-E200 WeakPolarHBondContact O-CB 3.39Å; Y197-E200 PolarHBondContact O-N 2.91Å; Y197-W201 PolarHBondContact O-N 2.92Å; Y197-F244 HydrophobicContact CD1-CD1 4.43Å; Y197-F244 HydrophobicContact CD1-CE1 4.19Å; Y197-F244 HydrophobicContact CD2-CE1 4.46Å; Y197-F244 AromaticContact CE1-CD1 3.64Å; Y197-F244 HydrophobicContact CE1-CD1 3.64Å; Y197-F244 AromaticContact CE1-CE1 3.7Å; Y197-F244 HydrophobicContact CE1-CE1 3.7Å; Y197-F244 HydrophobicContact CE2-CE1 4.01Å; Y197-F244 AromaticContact CZ-CD1 3.74Å; Y197-F244 AromaticContact CZ-CE1 3.62Å; Y197-M245 HydrophobicContact CE1-CG 3.82Å; Y197-A252 HydrophobicContact CD2-CB 3.87Å; Y197-A252 HydrophobicContact CE2-CB 3.64Å; Y197-N253 VanDerWaalsContact CE2-OD1 3.23Å; Y197-N253 WeakPolarHBondContact CE2-OD1 3.36Å; Y197-N253 PolarHBondContact OH-OD1 3.35Å; Y197-N253 VanDerWaalsContact OH-OD1 3.05Å; Y197-I343 HydrophobicContact CD1-CD1 4.44Å; Y197-I343 HydrophobicContact CD1-CG1 4.19Å; Y197-I343 HydrophobicContact CD1-CG2 3.63Å; Y197-I343 HydrophobicContact CE1-CG1 4.3Å; Y197-I343 HydrophobicContact CE1-CG2 4.31Å; Y197-I343 HydrophobicContact CG-CG2 3.87Å; Y197-N347 WeakPolarHBondContact CD2-ND2 3.43Å
198	L	98.1	Very high	97.7	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-65.2	-35	175.3	-67.6	168.8	0	0	0	112.3	V194 E200 W201 K202 L241 A330 V333 L335 I343	V194-L198 HydrophobicContact CG1-CD1 3.77Å; V194-L198 HydrophobicContact CG1-CG 4.45Å; V194-L198 WeakPolarHBondContact O-CB 3.49Å; V194-L198 VanDerWaalsContact O-CG 3.3Å; V194-L198 WeakPolarHBondContact O-CG 3.38Å; V194-L198 PolarHBondContact O-N 3.48Å; L198-E200 PolarHBondContact O-N 2.93Å; L198-W201 HydrophobicContact CD2-CE3 3.94Å; L198-W201 HydrophobicContact CD2-CZ3 4.34Å; L198-K202 WeakPolarHBondContact O-CB 3.38Å; L198-K202 WeakPolarHBondContact O-CG 3.32Å; L198-K202 PolarHBondContact O-N 2.73Å; L198-L241 HydrophobicContact CD2-CD1 3.81Å; L198-L241 HydrophobicContact CD2-CD2 3.84Å; L198-A330 HydrophobicContact CB-CB 4.04Å; L198-V333 HydrophobicContact CD2-CG1 4.45Å; L198-L335 HydrophobicContact CD1-CD1 3.48Å; L198-L335 VanDerWaalsContact CD1-CD1 3.48Å; L198-L335 HydrophobicContact CD1-CD2 3.88Å; L198-L335 HydrophobicContact CD1-CG 4.2Å; L198-L335 HydrophobicContact CD2-CD2 4.14Å; L198-I343 HydrophobicContact CD1-CD1 4.39Å; L198-I343 HydrophobicContact CD2-CD1 3.69Å; L198-I343 HydrophobicContact CG-CD1 4.06Å
199	S	97.5	Very high	97.5	Very high	15 Å²	15	24.1 Å²	24.1	11%	0.105	13%	0.126	C	C	.	.	H	α-helix	trans	-68.4	-24.3	172.2	-161.3	0	0	0	0	112.7	K104 S195 R196 Y197 H203	K104-S199 WeakPolarHBondContact CE-O 3.3Å; K104-S199 WeakPolarHBondContact CE-OG 3.37Å; K104-S199 PolarHBondContact NZ-O 3.03Å; S195-S199 WeakPolarHBondContact O-CB 3.34Å; S195-S199 PolarHBondContact O-N 3.36Å; R196-S199 CarbonylContact O-C 3.49Å; R196-S199 WeakPolarHBondContact O-CB 3.45Å; R196-S199 PolarHBondContact O-N 2.64Å; Y197-S199 VanDerWaalsContact C-N 3.32Å; Y197-S199 PolarHBondContact O-N 3.22Å; S199-H203 PolarHBondContact O-N 3.39Å
200	E	98.5	Very high	97.4	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.014	13%	0.132	C	C	.	.	H	α-helix	trans	-78.8	-52.5	174.1	-161.5	167.9	158.7	0	0	111	K104 R196 Y197 L198 K202 H203 V204 W210 F244 A252 R255	K104-E200 HydrophobicContact CD-CB 4.49Å; K104-E200 HydrophobicContact CG-CB 3.73Å; K104-E200 HydrophobicContact CG-CG 4.09Å; R196-E200 IonicContact NH1-OE2 3.17Å; R196-E200 PolarHBondContact NH1-OE2 3.35Å; R196-E200 PolarHBondContact O-N 2.81Å; Y197-E200 CarbonylContact O-C 3.18Å; Y197-E200 WeakPolarHBondContact O-CA 3.36Å; Y197-E200 VanDerWaalsContact O-CB 3.3Å; Y197-E200 WeakPolarHBondContact O-CB 3.39Å; Y197-E200 PolarHBondContact O-N 2.91Å; L198-E200 PolarHBondContact O-N 2.93Å; E200-K202 VanDerWaalsContact C-N 3.33Å; E200-K202 PolarHBondContact O-N 2.92Å; E200-H203 CarbonylContact O-C 3.56Å; E200-H203 VanDerWaalsContact O-CA 3.3Å; E200-H203 WeakPolarHBondContact O-CA 3.36Å; E200-H203 WeakPolarHBondContact O-CB 3.36Å; E200-H203 PolarHBondContact O-N 3.1Å; E200-V204 HydrophobicContact CG-CG2 4.4Å; E200-V204 WeakPolarHBondContact O-CG2 3.23Å; E200-V204 PolarHBondContact O-N 2.99Å; E200-W210 HydrophobicContact CG-CH2 3.94Å; E200-W210 HydrophobicContact CG-CZ3 3.93Å; E200-F244 HydrophobicContact CG-CZ 4.43Å; E200-A252 VanDerWaalsContact CD-CB 3.47Å; E200-A252 HydrophobicContact CG-CB 4.18Å; E200-A252 WeakPolarHBondContact OE1-CA 3.28Å; E200-A252 WeakPolarHBondContact OE1-CB 3.49Å; E200-R255 VanDerWaalsContact CD-NE 3.28Å; E200-R255 IonicContact OE1-CZ 3.46Å; E200-R255 IonicContact OE1-NE 3.65Å; E200-R255 PolarHBondContact OE1-NE 2.86Å; E200-R255 IonicContact OE1-NH2 2.74Å; E200-R255 PolarHBondContact OE1-NH2 2.84Å; E200-R255 WeakPolarHBondContact OE2-CD 3.1Å; E200-R255 IonicContact OE2-CZ 2.78Å; E200-R255 IonicContact OE2-NE 3.57Å; E200-R255 PolarHBondContact OE2-NE 2.67Å
201	W	98.1	Very high	97.2	Very high	19 Å²	19	31 Å²	31	7%	0.072	16%	0.155	C	C	.	.	H	α-helix	trans	-47.6	-54	170.6	165.5	50.1	0	0	0	111.4	Y197 L198 H203 V204 Q205 V239 L241 F244 V333	Y197-W201 PolarHBondContact O-N 2.92Å; L198-W201 HydrophobicContact CD2-CE3 3.94Å; L198-W201 HydrophobicContact CD2-CZ3 4.34Å; W201-H203 PolarHBondContact O-N 2.96Å; W201-V204 PolarHBondContact O-N 2.79Å; W201-V204 VanDerWaalsContact O-N 3.1Å; W201-Q205 VanDerWaalsContact O-CB 3.3Å; W201-Q205 WeakPolarHBondContact O-CB 3.45Å; W201-Q205 PolarHBondContact O-N 2.73Å; W201-V239 PolarHBondContact NE1-O 2.98Å; W201-L241 HydrophobicContact CB-CD1 4.44Å; W201-L241 HydrophobicContact CD2-CB 4.03Å; W201-L241 HydrophobicContact CD2-CD1 3.88Å; W201-L241 HydrophobicContact CD2-CG 4.47Å; W201-L241 HydrophobicContact CE3-CB 4.18Å; W201-L241 HydrophobicContact CE3-CD1 3.88Å; W201-L241 HydrophobicContact CE3-CD2 4.35Å; W201-L241 HydrophobicContact CE3-CG 4.36Å; W201-L241 HydrophobicContact CG-CD1 4.1Å; W201-L241 HydrophobicContact CH2-CB 3.77Å; W201-L241 HydrophobicContact CH2-CD2 4.44Å; W201-L241 HydrophobicContact CZ2-CB 3.68Å; W201-L241 HydrophobicContact CZ3-CB 4.04Å; W201-L241 HydrophobicContact CZ3-CD1 4.4Å; W201-L241 HydrophobicContact CZ3-CD2 4.07Å; W201-L241 HydrophobicContact CZ3-CG 4.4Å; W201-F244 HydrophobicContact CB-CD1 3.66Å; W201-F244 HydrophobicContact CB-CE1 3.74Å; W201-F244 HydrophobicContact CB-CG 4.08Å; W201-F244 HydrophobicContact CB-CZ 4.25Å; W201-F244 AromaticContact CD1-CG 3.87Å; W201-F244 HydrophobicContact CG-CB 4.48Å; W201-F244 HydrophobicContact CG-CD1 4.23Å; W201-F244 HydrophobicContact CG-CG 4.28Å; W201-V333 HydrophobicContact CZ3-CG1 4.09Å; W201-V333 HydrophobicContact CZ3-CG2 4.26Å
202	K	97.3	Very high	97	Very high	56 Å²	56	34.9 Å²	34.9	24%	0.243	18%	0.181	C	C	.	.	H	α-helix	trans	-63.9	-12.7	177.5	-71.4	-50.5	-161.2	-166.9	0	114.2	L198 E200 Q205 R206 V333	L198-K202 WeakPolarHBondContact O-CB 3.38Å; L198-K202 WeakPolarHBondContact O-CG 3.32Å; L198-K202 PolarHBondContact O-N 2.73Å; E200-K202 VanDerWaalsContact C-N 3.33Å; E200-K202 PolarHBondContact O-N 2.92Å; K202-Q205 VanDerWaalsContact CD-OE1 3.27Å; K202-R206 WeakPolarHBondContact O-CG 3.49Å; K202-R206 PolarHBondContact O-NH1 3.32Å; K202-V333 HydrophobicContact CG-CG2 4.46Å
203	H	96.9	Very high	97	Very high	49 Å²	49	33.8 Å²	33.8	23%	0.227	18%	0.177	C	C	.	.	H	α-helix	trans	-87.9	-44.3	171.1	-152	-163.5	0	0	0	111.8	K104 S199 E200 W201 R206 A208 W210	K104-H203 HydrophobicContact CD-CB 4.3Å; K104-H203 VanDerWaalsContact NZ-CG 3.25Å; K104-H203 PolarHBondContact NZ-ND1 2.99Å; K104-H203 VanDerWaalsContact NZ-ND1 3.18Å; S199-H203 PolarHBondContact O-N 3.39Å; E200-H203 CarbonylContact O-C 3.56Å; E200-H203 VanDerWaalsContact O-CA 3.3Å; E200-H203 WeakPolarHBondContact O-CA 3.36Å; E200-H203 WeakPolarHBondContact O-CB 3.36Å; E200-H203 PolarHBondContact O-N 3.1Å; W201-H203 PolarHBondContact O-N 2.96Å; H203-R206 PolarHBondContact CD2-NE 2.91Å; H203-R206 PolarHBondContact CD2-NH2 3.21Å; H203-R206 CarbonylContact O-C 3.6Å; H203-R206 WeakPolarHBondContact O-CG 3.39Å; H203-R206 PolarHBondContact O-N 3.34Å; H203-R206 VanDerWaalsContact O-N 3.15Å; H203-A208 HydrophobicContact CB-CB 4.02Å; H203-A208 VanDerWaalsContact CG-CB 3.41Å; H203-A208 WeakPolarHBondContact ND1-CB 3.25Å; H203-A208 VanDerWaalsContact O-CB 3.26Å; H203-A208 WeakPolarHBondContact O-CB 3.25Å; H203-A208 PolarHBondContact O-N 3.34Å; H203-A208 VanDerWaalsContact O-N 3.16Å; H203-W210 HydrophobicContact CB-CH2 4.21Å; H203-W210 AromaticContact CE1-CZ2 3.73Å; H203-W210 AromaticContact ND1-CH2 3.26Å; H203-W210 VanDerWaalsContact ND1-CH2 3.26Å; H203-W210 WeakPolarHBondContact ND1-CH2 3.48Å; H203-W210 AromaticContact ND1-CZ2 3.15Å; H203-W210 WeakPolarHBondContact ND1-CZ2 3.46Å
204	V	97.7	Very high	96.9	Very high	10 Å²	10	37.5 Å²	37.5	6%	0.061	20%	0.197	C	C	.	.	H	α-helix	trans	-64.9	-45	179.5	176	0	0	0	0	110.3	E200 W201 R206 G207 A208 W210 W236 V239 F244	E200-V204 HydrophobicContact CG-CG2 4.4Å; E200-V204 WeakPolarHBondContact O-CG2 3.23Å; E200-V204 PolarHBondContact O-N 2.99Å; W201-V204 PolarHBondContact O-N 2.79Å; W201-V204 VanDerWaalsContact O-N 3.1Å; V204-R206 PolarHBondContact O-N 3.45Å; V204-G207 PolarHBondContact O-N 3.02Å; V204-A208 WeakPolarHBondContact CA-O 3.5Å; V204-A208 WeakPolarHBondContact CG2-O 3.23Å; V204-W210 HydrophobicContact CG2-CZ3 4.08Å; V204-W236 CarbonylContact C-O 3.53Å; V204-W236 HydrophobicContact CG1-CB 3.7Å; V204-W236 HydrophobicContact CG1-CD2 4.16Å; V204-W236 HydrophobicContact CG1-CE3 3.72Å; V204-W236 HydrophobicContact CG1-CG 4.19Å; V204-W236 CarbonylContact O-C 3.55Å; V204-V239 HydrophobicContact CG1-CG1 4.07Å; V204-F244 HydrophobicContact CB-CD2 4.5Å; V204-F244 HydrophobicContact CB-CE2 3.92Å; V204-F244 HydrophobicContact CG1-CD2 4.31Å; V204-F244 HydrophobicContact CG1-CE2 3.97Å; V204-F244 HydrophobicContact CG2-CE2 3.82Å; V204-F244 HydrophobicContact CG2-CZ 4.29Å
205	Q	96.9	Very high	96.9	Very high	55 Å²	55	38.7 Å²	38.7	26%	0.257	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-15.9	171.5	178.4	168.1	69.3	0	0	114.5	W201 K202 G238 V239	W201-Q205 VanDerWaalsContact O-CB 3.3Å; W201-Q205 WeakPolarHBondContact O-CB 3.45Å; W201-Q205 PolarHBondContact O-N 2.73Å; K202-Q205 VanDerWaalsContact CD-OE1 3.27Å; Q205-G238 PolarHBondContact NE2-O 3.41Å; Q205-G238 PolarHBondContact O-N 2.02Å; Q205-V239 HydrophobicContact CB-CG1 4.2Å; Q205-V239 PolarHBondContact NE2-O 3.19Å
206	R	95.9	Very high	96.9	Very high	115 Å²	115	40.5 Å²	40.5	43%	0.434	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	32.7	175.1	66.3	178.8	-166.1	-103.4	5	113.5	K202 H203 V204	K202-R206 WeakPolarHBondContact O-CG 3.49Å; K202-R206 PolarHBondContact O-NH1 3.32Å; H203-R206 PolarHBondContact CD2-NE 2.91Å; H203-R206 PolarHBondContact CD2-NH2 3.21Å; H203-R206 CarbonylContact O-C 3.6Å; H203-R206 WeakPolarHBondContact O-CG 3.39Å; H203-R206 PolarHBondContact O-N 3.34Å; H203-R206 VanDerWaalsContact O-N 3.15Å; V204-R206 PolarHBondContact O-N 3.45Å
207	G	95.6	Very high	96.9	Very high	27 Å²	27	40.7 Å²	40.7	28%	0.278	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	13.5	169.5	0	0	0	0	0	116.7	V204 T209 D235	V204-G207 PolarHBondContact O-N 3.02Å; G207-T209 PolarHBondContact O-N 3.29Å; G207-D235 WeakPolarHBondContact CA-OD2 3.44Å
208	A	96.1	Very high	96.8	Very high	18 Å²	18	46 Å²	46	15%	0.149	24%	0.237	C	C	.	.			trans	-85.1	106.4	174.8	0	0	0	0	0	111.6	H203 V204 W210	H203-A208 HydrophobicContact CB-CB 4.02Å; H203-A208 VanDerWaalsContact CG-CB 3.41Å; H203-A208 WeakPolarHBondContact ND1-CB 3.25Å; H203-A208 VanDerWaalsContact O-CB 3.26Å; H203-A208 WeakPolarHBondContact O-CB 3.25Å; H203-A208 PolarHBondContact O-N 3.34Å; H203-A208 VanDerWaalsContact O-N 3.16Å; V204-A208 WeakPolarHBondContact CA-O 3.5Å; V204-A208 WeakPolarHBondContact CG2-O 3.23Å; A208-W210 HydrophobicContact CB-CH2 4.41Å; A208-W210 HydrophobicContact CB-CZ3 4.41Å
209	T	95	Very high	96.6	Very high	40 Å²	40	49.1 Å²	49.1	25%	0.245	27%	0.27	C	S	.	.			trans	-98.8	-34.7	176.9	56.5	0	0	0	0	114.2	G207 K211 Y231 D235	G207-T209 PolarHBondContact O-N 3.29Å; T209-K211 PolarHBondContact O-N 3.16Å; T209-K211 WeakPolarHBondContact OG1-CG 3.4Å; T209-K211 PolarHBondContact OG1-N 3.05Å; T209-Y231 HydrophobicContact CG2-CE1 4.35Å; T209-Y231 HydrophobicContact CG2-CE2 4.11Å; T209-D235 HydrophobicContact CG2-CB 3.42Å; T209-D235 VanDerWaalsContact CG2-CB 3.42Å
210	W	96.1	Very high	96.6	Very high	36 Å²	36	53.8 Å²	53.8	14%	0.136	29%	0.286	C	S	.	.			trans	55.2	26.5	-162.5	-56.7	-87	0	0	0	114.5	Q103 K104 L157 H158 E200 H203 V204 A208 T212 A213	Q103-W210 HydrophobicContact CB-CH2 4.14Å; Q103-W210 HydrophobicContact CB-CZ2 3.89Å; Q103-W210 HydrophobicContact CG-CD2 3.9Å; Q103-W210 VanDerWaalsContact CG-CE2 3.41Å; Q103-W210 HydrophobicContact CG-CE3 4.34Å; Q103-W210 HydrophobicContact CG-CG 4.45Å; Q103-W210 HydrophobicContact CG-CH2 3.93Å; Q103-W210 HydrophobicContact CG-CZ2 3.42Å; Q103-W210 VanDerWaalsContact CG-CZ2 3.42Å; Q103-W210 HydrophobicContact CG-CZ3 4.36Å; K104-W210 HydrophobicContact CD-CH2 3.97Å; K104-W210 HydrophobicContact CD-CZ2 4.14Å; L157-W210 HydrophobicContact CD2-CB 4.07Å; H158-W210 AromaticContact CD2-CD1 3.36Å; H158-W210 AromaticContact CD2-NE1 3.34Å; H158-W210 PolarHBondContact CD2-NE1 3.09Å; H158-W210 VanDerWaalsContact CD2-NE1 3.34Å; H158-W210 AromaticContact NE2-CD1 3.76Å; H158-W210 AromaticContact NE2-NE1 3.22Å; H158-W210 PolarHBondContact NE2-NE1 3.35Å; E200-W210 HydrophobicContact CG-CH2 3.94Å; E200-W210 HydrophobicContact CG-CZ3 3.93Å; H203-W210 HydrophobicContact CB-CH2 4.21Å; H203-W210 AromaticContact CE1-CZ2 3.73Å; H203-W210 AromaticContact ND1-CH2 3.26Å; H203-W210 VanDerWaalsContact ND1-CH2 3.26Å; H203-W210 WeakPolarHBondContact ND1-CH2 3.48Å; H203-W210 AromaticContact ND1-CZ2 3.15Å; H203-W210 WeakPolarHBondContact ND1-CZ2 3.46Å; V204-W210 HydrophobicContact CG2-CZ3 4.08Å; A208-W210 HydrophobicContact CB-CH2 4.41Å; A208-W210 HydrophobicContact CB-CZ3 4.41Å; W210-T212 PolarHBondContact O-N 3.36Å; W210-A213 PolarHBondContact O-N 3.05Å
211	K	93.6	Very high	96.5	Very high	111 Å²	111	56.2 Å²	56.2	48%	0.483	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	8.8	-174.5	73.8	-176.4	-177.8	-178	0	117.3	T209 D234	T209-K211 PolarHBondContact O-N 3.16Å; T209-K211 WeakPolarHBondContact OG1-CG 3.4Å; T209-K211 PolarHBondContact OG1-N 3.05Å; K211-D234 PolarHBondContact NZ-O 2.58Å; K211-D234 IonicContact NZ-OD1 2.65Å; K211-D234 PolarHBondContact NZ-OD1 2.92Å
212	T	95.4	Very high	96.5	Very high	98 Å²	98	56.6 Å²	56.6	60%	0.601	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.8	21.2	173	75.8	0	0	0	0	112	L157 W210	L157-T212 WeakPolarHBondContact CB-O 3.22Å; L157-T212 VanDerWaalsContact CD2-OG1 3.29Å; L157-T212 WeakPolarHBondContact CD2-OG1 3.44Å; W210-T212 PolarHBondContact O-N 3.36Å
213	A	96.8	Very high	96.4	Very high	18 Å²	18	57.2 Å²	57.2	15%	0.149	32%	0.316	C	S	.	.			trans	-69.9	142.1	161.2	0	0	0	0	0	108.8	L157 W210	L157-A213 WeakPolarHBondContact O-CB 3.29Å; W210-A213 PolarHBondContact O-N 3.05Å
214	L	96.9	Very high	96.2	Very high	81 Å²	81	60.1 Å²	60.1	42%	0.424	33%	0.33	S	S	.	.			trans	-88	-30.8	-174.1	-53.9	177.4	0	0	0	111.7	M216 S221	L214-M216 HydrophobicContact CB-CG 3.72Å; L214-M216 HydrophobicContact CD1-CG 4.38Å; L214-M216 PolarHBondContact O-N 2.87Å; L214-S221 VanDerWaalsContact O-CB 3.31Å; L214-S221 WeakPolarHBondContact O-CB 3.28Å; L214-S221 PolarHBondContact O-OG 2.94Å
215	H	97.7	Very high	95.9	Very high	27 Å²	27	66.6 Å²	66.6	13%	0.125	37%	0.365	C	S	.	.			trans	53.8	38.9	-176.8	-66.1	-46.6	0	0	0	112.1	E163 C217 P222 L227 Y269	E163-H215 WeakPolarHBondContact OE1-CA 3.45Å; E163-H215 PolarHBondContact OE1-N 2.86Å; H215-C217 PolarHBondContact O-N 3.3Å; H215-P222 HydrophobicContact CB-CG 3.86Å; H215-P222 WeakPolarHBondContact O-CD 3.47Å; H215-L227 HydrophobicContact CB-CD1 4.5Å; H215-Y269 HydrophobicContact CB-CE2 3.85Å; H215-Y269 PolarHBondContact ND1-OH 2.72Å; H215-Y269 WeakPolarHBondContact O-CE2 3.5Å
216	M	97.5	Very high	95.8	Very high	71 Å²	71	65.9 Å²	65.9	35%	0.35	36%	0.361	S	S	.	.			trans	-65.8	120.6	-175.3	-72.9	-71.9	-65	0	0	111.7	E163 L214 G219 R220	E163-M216 HydrophobicContact CG-CB 4.11Å; E163-M216 WeakPolarHBondContact CG-O 3.49Å; E163-M216 PolarHBondContact OE1-N 3.47Å; L214-M216 HydrophobicContact CB-CG 3.72Å; L214-M216 HydrophobicContact CD1-CG 4.38Å; L214-M216 PolarHBondContact O-N 2.87Å; M216-G219 VanDerWaalsContact CE-C 3.44Å; M216-G219 WeakPolarHBondContact CE-O 3.35Å; M216-R220 WeakPolarHBondContact CA-O 3.11Å
217	C	97.9	Very high	95.8	Very high	4 Å²	4	61.8 Å²	61.8	3%	0.027	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-145.8	141.9	174.7	-177.1	0	0	0	0	108.6	T162 H215 G219 R220 C268 Y269	T162-C217 HydrophobicContact CG2-CB 4.24Å; H215-C217 PolarHBondContact O-N 3.3Å; C217-G219 PolarHBondContact O-N 2.84Å; C217-R220 PolarHBondContact N-O 3.43Å; C217-R220 PolarHBondContact O-N 3.07Å; C217-C268 VanDerWaalsContact C-SG 3.58Å; C217-C268 HydrophobicContact CB-CB 3.58Å; C217-C268 WeakPolarHBondContact CB-SG 3.04Å; C217-C268 VanDerWaalsContact SG-CA 3.55Å; C217-C268 WeakPolarHBondContact SG-CB 3.42Å; C217-C268 CovalentContact SG-SG 2.02Å; C217-C268 PolarHBondContact SG-SG 2.69Å; C217-Y269 HydrophobicContact CB-CE2 4.44Å
218	D	96.2	Very high	95.8	Very high	110 Å²	110	63.3 Å²	63.3	59%	0.588	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.4	39.4	-173.2	-60	-8.9	0	0	0	114.2	R220 S264 C268	D218-R220 PolarHBondContact O-N 3.44Å; D218-S264 WeakPolarHBondContact OD1-CB 3.42Å; D218-C268 PolarHBondContact OD2-SG 2.92Å; D218-C268 VanDerWaalsContact OD2-SG 3.41Å
219	G	95.3	Very high	95.7	Very high	69 Å²	69	65.6 Å²	65.6	71%	0.711	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	5.5	176.6	0	0	0	0	0	116.2	M216 C217	M216-G219 VanDerWaalsContact CE-C 3.44Å; M216-G219 WeakPolarHBondContact CE-O 3.35Å; C217-G219 PolarHBondContact O-N 2.84Å
220	R	97	Very high	95.8	Very high	113 Å²	113	65.1 Å²	65.1	43%	0.426	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-140.9	162.7	179.7	65.9	175.9	-173.8	89.9	-4.7	114	M216 C217 D218 E226	M216-R220 WeakPolarHBondContact CA-O 3.11Å; C217-R220 PolarHBondContact N-O 3.43Å; C217-R220 PolarHBondContact O-N 3.07Å; D218-R220 PolarHBondContact O-N 3.44Å; R220-E226 IonicContact CZ-OE1 3.41Å; R220-E226 IonicContact CZ-OE2 3.63Å; R220-E226 IonicContact NH1-OE1 3.5Å; R220-E226 IonicContact NH1-OE2 2.74Å; R220-E226 PolarHBondContact NH1-OE2 3.35Å; R220-E226 IonicContact NH2-OE1 3.42Å; R220-E226 PolarHBondContact NH2-OE1 3.09Å; R220-E226 IonicContact NH2-OE2 2.71Å; R220-E226 PolarHBondContact NH2-OE2 3.49Å
221	S	97.3	Very high	95.8	Very high	54 Å²	54	65.3 Å²	65.3	38%	0.378	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-76.7	156.8	162.2	-67.5	0	0	0	0	111.4	L214	L214-S221 VanDerWaalsContact O-CB 3.31Å; L214-S221 WeakPolarHBondContact O-CB 3.28Å; L214-S221 PolarHBondContact O-OG 2.94Å
222	P	97.1	Very high	95.7	Very high	27 Å²	27	65.8 Å²	65.8	18%	0.175	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-69.4	155	168.5	30	-35.6	0	0	0	111.9	H215 E226 L227 Y269	H215-P222 HydrophobicContact CB-CG 3.86Å; H215-P222 WeakPolarHBondContact O-CD 3.47Å; P222-E226 VanDerWaalsContact CA-OE2 3.3Å; P222-E226 WeakPolarHBondContact CA-OE2 3.46Å; P222-E226 HydrophobicContact CB-CB 4.01Å; P222-L227 HydrophobicContact CB-CB 4.1Å; P222-L227 HydrophobicContact CG-CB 4.09Å; P222-L227 HydrophobicContact CG-CD1 3.79Å; P222-Y269 HydrophobicContact CB-CD2 4.03Å; P222-Y269 HydrophobicContact CB-CG 4Å; P222-Y269 HydrophobicContact CG-CD2 4.08Å; P222-Y269 HydrophobicContact CG-CE2 4.49Å; P222-Y269 HydrophobicContact CG-CG 4.25Å
223	T	94.8	Very high	95.6	Very high	68 Å²	68	64.4 Å²	64.4	42%	0.417	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-78.3	168	167.5	72.4	0	0	0	0	111.4	D225 E226 L227	T223-D225 PolarHBondContact O-N 3.39Å; T223-D225 PolarHBondContact OG1-N 2.91Å; T223-E226 PolarHBondContact N-OE2 3.33Å; T223-E226 PolarHBondContact O-N 2.96Å; T223-E226 PolarHBondContact OG1-N 2.96Å; T223-L227 PolarHBondContact O-N 3.02Å
224	Q	92.6	Very high	95.5	Very high	110 Å²	110	69.6 Å²	69.6	51%	0.514	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-23.9	172	-175	69.5	18.1	0	0	112.3	L227 P228 T229	Q224-L227 CarbonylContact O-C 3.41Å; Q224-P228 WeakPolarHBondContact O-CA 3.45Å; Q224-P228 WeakPolarHBondContact O-CB 3.45Å; Q224-P228 VanDerWaalsContact O-N 3.08Å; Q224-T229 PolarHBondContact NE2-OG1 3.46Å
225	D	92.4	Very high	95.4	Very high	147 Å²	147	68.3 Å²	68.3	79%	0.786	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-35	176.2	-48	-59.7	0	0	0	111.8	T223	T223-D225 PolarHBondContact O-N 3.39Å; T223-D225 PolarHBondContact OG1-N 2.91Å
226	E	94.7	Very high	95.4	Very high	40 Å²	40	68.9 Å²	68.9	19%	0.187	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-29.4	173.5	-66.8	175.3	121.1	0	0	112.5	R220 P222 T223	R220-E226 IonicContact CZ-OE1 3.41Å; R220-E226 IonicContact CZ-OE2 3.63Å; R220-E226 IonicContact NH1-OE1 3.5Å; R220-E226 IonicContact NH1-OE2 2.74Å; R220-E226 PolarHBondContact NH1-OE2 3.35Å; R220-E226 IonicContact NH2-OE1 3.42Å; R220-E226 PolarHBondContact NH2-OE1 3.09Å; R220-E226 IonicContact NH2-OE2 2.71Å; R220-E226 PolarHBondContact NH2-OE2 3.49Å; P222-E226 VanDerWaalsContact CA-OE2 3.3Å; P222-E226 WeakPolarHBondContact CA-OE2 3.46Å; P222-E226 HydrophobicContact CB-CB 4.01Å; T223-E226 PolarHBondContact N-OE2 3.33Å; T223-E226 PolarHBondContact O-N 2.96Å; T223-E226 PolarHBondContact OG1-N 2.96Å
227	L	95.3	Very high	95.3	Very high	29 Å²	29	68.8 Å²	68.8	15%	0.152	41%	0.412	C	S	.	.	S	Bend	trans	-139.1	73.6	-178.8	-153.8	174.1	0	0	0	111.3	H215 P222 T223 Q224 L251 Y269	H215-L227 HydrophobicContact CB-CD1 4.5Å; P222-L227 HydrophobicContact CB-CB 4.1Å; P222-L227 HydrophobicContact CG-CB 4.09Å; P222-L227 HydrophobicContact CG-CD1 3.79Å; T223-L227 PolarHBondContact O-N 3.02Å; Q224-L227 CarbonylContact O-C 3.41Å; L227-L251 HydrophobicContact CD1-CD1 4.28Å; L227-L251 HydrophobicContact CD1-CD2 4.17Å; L227-L251 HydrophobicContact CD2-CD1 4.03Å; L227-L251 HydrophobicContact CD2-CD2 4.1Å; L227-L251 HydrophobicContact CD2-CG 4.11Å; L227-L251 HydrophobicContact CG-CD2 4.23Å; L227-Y269 HydrophobicContact CD1-CD1 3.93Å; L227-Y269 HydrophobicContact CD1-CE1 3.92Å; L227-Y269 HydrophobicContact CG-CD1 4.45Å
228	P	95.8	Very high	95.2	Very high	58 Å²	58	71.2 Å²	71.2	38%	0.377	44%	0.438	S	S	.	.			trans	-73.8	139.4	-178.3	26.7	-33.1	0	0	0	112.6	Q224 S249	Q224-P228 WeakPolarHBondContact O-CA 3.45Å; Q224-P228 WeakPolarHBondContact O-CB 3.45Å; Q224-P228 VanDerWaalsContact O-N 3.08Å; P228-S249 VanDerWaalsContact O-CB 3.29Å; P228-S249 WeakPolarHBondContact O-CB 3.24Å; P228-S249 PolarHBondContact O-OG 2.61Å
229	T	95.3	Very high	95.3	Very high	66 Å²	66	66.2 Å²	66.2	41%	0.405	41%	0.411	S	S	.	.			trans	-74.6	133.7	-179	47.8	0	0	0	0	113.1	Q224 Y231	Q224-T229 PolarHBondContact NE2-OG1 3.46Å; T229-Y231 HydrophobicContact CG2-CE1 4.33Å; T229-Y231 PolarHBondContact O-N 3.34Å; T229-Y231 VanDerWaalsContact O-N 3.08Å; T229-Y231 PolarHBondContact OG1-O 3.41Å
230	C	96.8	Very high	95.4	Very high	30 Å²	30	66.1 Å²	66.1	20%	0.203	40%	0.397	C	S	.	.	S	Bend	trans	-69.6	2.3	175.3	-63.2	0	0	0	0	115.7	W236 C247 N250	C230-W236 HydrophobicContact CB-CD2 4.18Å; C230-W236 HydrophobicContact CB-CE3 3.77Å; C230-W236 HydrophobicContact CB-CH2 3.35Å; C230-W236 HydrophobicContact CB-CZ2 3.75Å; C230-W236 HydrophobicContact CB-CZ3 3.35Å; C230-C247 WeakPolarHBondContact CA-SG 3.36Å; C230-C247 HydrophobicContact CB-CB 3.68Å; C230-C247 WeakPolarHBondContact CB-SG 3.3Å; C230-C247 WeakPolarHBondContact SG-CB 3.39Å; C230-C247 CovalentContact SG-SG 2.03Å; C230-C247 PolarHBondContact SG-SG 2.94Å; C230-N250 WeakPolarHBondContact SG-CA 3.32Å; C230-N250 PolarHBondContact SG-N 3.38Å
231	Y	95.2	Very high	95.4	Very high	41 Å²	41	62 Å²	62	16%	0.161	38%	0.383	C	S	.	.	S	Bend	trans	-145.6	158.3	-172.2	63.3	-84.2	0	0	0	110.9	T209 T229 D235 W236	T209-Y231 HydrophobicContact CG2-CE1 4.35Å; T209-Y231 HydrophobicContact CG2-CE2 4.11Å; T229-Y231 HydrophobicContact CG2-CE1 4.33Å; T229-Y231 PolarHBondContact O-N 3.34Å; T229-Y231 VanDerWaalsContact O-N 3.08Å; T229-Y231 PolarHBondContact OG1-O 3.41Å; Y231-D235 VanDerWaalsContact CD2-O 3.25Å; Y231-D235 WeakPolarHBondContact CD2-O 3.37Å; Y231-W236 HydrophobicContact CD1-CB 3.93Å; Y231-W236 HydrophobicContact CD1-CG 4.34Å; Y231-W236 HydrophobicContact CG-CB 3.82Å; Y231-W236 HydrophobicContact CG-CG 4.24Å
232	S	92.2	Very high	95.4	Very high	120 Å²	120	66.8 Å²	66.8	84%	0.839	40%	0.397	S	S	*	.	S	Bend	trans	-110.3	143	175.5	-58.7	0	0	0	0	109.6
233	G	93.2	Very high	95.4	Very high	69 Å²	69	70.4 Å²	70.4	71%	0.711	41%	0.412	S	S	*	.	S	Bend	trans	82.1	-146.9	-177.5	0	0	0	0	0	113
234	D	93.6	Very high	95.6	Very high	127 Å²	127	67.1 Å²	67.1	68%	0.679	39%	0.392	S	S	*	.	S	Bend	trans	-81	-37.2	-165.1	-102.9	-55.7	0	0	0	115.2	K211	K211-D234 PolarHBondContact NZ-O 2.58Å; K211-D234 IonicContact NZ-OD1 2.65Å; K211-D234 PolarHBondContact NZ-OD1 2.92Å
235	D	95.7	Very high	95.8	Very high	54 Å²	54	62.7 Å²	62.7	29%	0.289	37%	0.371	S	S	.	.			trans	-151.4	-175.7	179.2	73.8	26.4	0	0	0	113.2	G207 T209 Y231 S237	G207-D235 WeakPolarHBondContact CA-OD2 3.44Å; T209-D235 HydrophobicContact CG2-CB 3.42Å; T209-D235 VanDerWaalsContact CG2-CB 3.42Å; Y231-D235 VanDerWaalsContact CD2-O 3.25Å; Y231-D235 WeakPolarHBondContact CD2-O 3.37Å; D235-S237 WeakPolarHBondContact OD1-CB 3.48Å; D235-S237 PolarHBondContact OD1-N 3.12Å; D235-S237 PolarHBondContact OD1-OG 2.71Å
236	W	96.8	Very high	96.1	Very high	40 Å²	40	60.3 Å²	60.3	15%	0.152	36%	0.359	C	S	.	.			trans	-116.3	41	176.9	-155.1	17.3	0	0	0	110.6	V204 C230 Y231 V239 F244 C247	V204-W236 CarbonylContact C-O 3.53Å; V204-W236 HydrophobicContact CG1-CB 3.7Å; V204-W236 HydrophobicContact CG1-CD2 4.16Å; V204-W236 HydrophobicContact CG1-CE3 3.72Å; V204-W236 HydrophobicContact CG1-CG 4.19Å; V204-W236 CarbonylContact O-C 3.55Å; C230-W236 HydrophobicContact CB-CD2 4.18Å; C230-W236 HydrophobicContact CB-CE3 3.77Å; C230-W236 HydrophobicContact CB-CH2 3.35Å; C230-W236 HydrophobicContact CB-CZ2 3.75Å; C230-W236 HydrophobicContact CB-CZ3 3.35Å; Y231-W236 HydrophobicContact CD1-CB 3.93Å; Y231-W236 HydrophobicContact CD1-CG 4.34Å; Y231-W236 HydrophobicContact CG-CB 3.82Å; Y231-W236 HydrophobicContact CG-CG 4.24Å; W236-V239 HydrophobicContact CD2-CB 4.25Å; W236-V239 HydrophobicContact CD2-CG1 4.32Å; W236-V239 HydrophobicContact CD2-CG2 3.97Å; W236-V239 VanDerWaalsContact CE2-CG2 3.42Å; W236-V239 HydrophobicContact CG-CB 4.05Å; W236-V239 HydrophobicContact CG-CG1 4.27Å; W236-V239 HydrophobicContact CG-CG2 4.23Å; W236-V239 HydrophobicContact CZ2-CG2 3.76Å; W236-V239 WeakPolarHBondContact O-CB 3.42Å; W236-V239 WeakPolarHBondContact O-CG1 3.48Å; W236-F244 AromaticContact CE3-CD2 3.93Å; W236-F244 HydrophobicContact CE3-CD2 3.93Å; W236-F244 HydrophobicContact CE3-CE2 4.18Å; W236-F244 HydrophobicContact CH2-CB 4.49Å; W236-F244 AromaticContact CH2-CD2 3.88Å; W236-F244 HydrophobicContact CH2-CD2 3.88Å; W236-F244 AromaticContact CZ3-CD2 3.44Å; W236-F244 HydrophobicContact CZ3-CD2 3.44Å; W236-F244 VanDerWaalsContact CZ3-CD2 3.44Å; W236-F244 AromaticContact CZ3-CE2 3.78Å; W236-F244 HydrophobicContact CZ3-CE2 3.78Å; W236-F244 HydrophobicContact CZ3-CG 4.44Å; W236-C247 HydrophobicContact CH2-CB 3.78Å; W236-C247 HydrophobicContact CZ2-CB 4.33Å
237	S	96.9	Very high	96.2	Very high	69 Å²	69	59.3 Å²	59.3	48%	0.483	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	156.8	174.8	56.2	0	0	0	0	111.9	D235 V239	D235-S237 WeakPolarHBondContact OD1-CB 3.48Å; D235-S237 PolarHBondContact OD1-N 3.12Å; D235-S237 PolarHBondContact OD1-OG 2.71Å; S237-V239 PolarHBondContact O-N 3.14Å
238	G	96.3	Very high	96.2	Very high	54 Å²	54	66.4 Å²	66.4	56%	0.557	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	-34.3	-175.9	0	0	0	0	0	115.3	Q205 T240	Q205-G238 PolarHBondContact NE2-O 3.41Å; Q205-G238 PolarHBondContact O-N 2.02Å; G238-T240 PolarHBondContact O-N 2.95Å
239	V	97.6	Very high	96.2	Very high	6 Å²	6	65.5 Å²	65.5	4%	0.036	38%	0.383	C	S	.	.			trans	-34.6	128.4	-169	70.8	0	0	0	0	115.2	W201 V204 Q205 W236 S237 E243 F244	W201-V239 PolarHBondContact NE1-O 2.98Å; V204-V239 HydrophobicContact CG1-CG1 4.07Å; Q205-V239 HydrophobicContact CB-CG1 4.2Å; Q205-V239 PolarHBondContact NE2-O 3.19Å; W236-V239 HydrophobicContact CD2-CB 4.25Å; W236-V239 HydrophobicContact CD2-CG1 4.32Å; W236-V239 HydrophobicContact CD2-CG2 3.97Å; W236-V239 VanDerWaalsContact CE2-CG2 3.42Å; W236-V239 HydrophobicContact CG-CB 4.05Å; W236-V239 HydrophobicContact CG-CG1 4.27Å; W236-V239 HydrophobicContact CG-CG2 4.23Å; W236-V239 HydrophobicContact CZ2-CG2 3.76Å; W236-V239 WeakPolarHBondContact O-CB 3.42Å; W236-V239 WeakPolarHBondContact O-CG1 3.48Å; S237-V239 PolarHBondContact O-N 3.14Å; V239-E243 HydrophobicContact CG2-CB 3.68Å; V239-F244 HydrophobicContact CG1-CD2 4.34Å; V239-F244 HydrophobicContact CG2-CB 4.24Å
240	T	97.2	Very high	96.3	Very high	67 Å²	67	62.9 Å²	62.9	41%	0.411	37%	0.367	S	S	.	.			trans	-74.1	159.8	175	69	0	0	0	0	111.6	G238 K242 E243 F244	G238-T240 PolarHBondContact O-N 2.95Å; T240-K242 PolarHBondContact O-N 3.26Å; T240-E243 WeakPolarHBondContact CA-OE2 3.17Å; T240-E243 VanDerWaalsContact CB-OE2 3.22Å; T240-E243 WeakPolarHBondContact CB-OE2 3.27Å; T240-E243 VanDerWaalsContact CG2-OE2 3.3Å; T240-E243 WeakPolarHBondContact CG2-OE2 3.44Å; T240-E243 PolarHBondContact N-OE2 2.61Å; T240-E243 PolarHBondContact O-N 2.84Å; T240-E243 VanDerWaalsContact OG1-CD 3.25Å; T240-E243 WeakPolarHBondContact OG1-CG 3.44Å; T240-E243 PolarHBondContact OG1-N 3.32Å; T240-E243 PolarHBondContact OG1-OE2 2.74Å; T240-F244 WeakPolarHBondContact O-CB 3.44Å; T240-F244 PolarHBondContact O-N 3Å
241	L	96.8	Very high	96.4	Very high	25 Å²	25	63.3 Å²	63.3	13%	0.131	37%	0.367	C	S	.	.	H	α-helix	trans	-60.3	-34	176.6	-178.2	54.9	0	0	0	111.8	L198 W201 F244 M245 L335 V339 I343	L198-L241 HydrophobicContact CD2-CD1 3.81Å; L198-L241 HydrophobicContact CD2-CD2 3.84Å; W201-L241 HydrophobicContact CB-CD1 4.44Å; W201-L241 HydrophobicContact CD2-CB 4.03Å; W201-L241 HydrophobicContact CD2-CD1 3.88Å; W201-L241 HydrophobicContact CD2-CG 4.47Å; W201-L241 HydrophobicContact CE3-CB 4.18Å; W201-L241 HydrophobicContact CE3-CD1 3.88Å; W201-L241 HydrophobicContact CE3-CD2 4.35Å; W201-L241 HydrophobicContact CE3-CG 4.36Å; W201-L241 HydrophobicContact CG-CD1 4.1Å; W201-L241 HydrophobicContact CH2-CB 3.77Å; W201-L241 HydrophobicContact CH2-CD2 4.44Å; W201-L241 HydrophobicContact CZ2-CB 3.68Å; W201-L241 HydrophobicContact CZ3-CB 4.04Å; W201-L241 HydrophobicContact CZ3-CD1 4.4Å; W201-L241 HydrophobicContact CZ3-CD2 4.07Å; W201-L241 HydrophobicContact CZ3-CG 4.4Å; L241-F244 PolarHBondContact O-N 3.26Å; L241-M245 HydrophobicContact CD1-CG 4.05Å; L241-M245 HydrophobicContact CD1-SD 3.62Å; L241-M245 HydrophobicContact CD2-SD 4.34Å; L241-M245 HydrophobicContact CG-CG 4.49Å; L241-M245 HydrophobicContact CG-SD 3.6Å; L241-M245 WeakPolarHBondContact O-CB 3.48Å; L241-M245 WeakPolarHBondContact O-CG 3.32Å; L241-M245 PolarHBondContact O-N 3.05Å; L241-L335 HydrophobicContact CD2-CD2 4.38Å; L241-V339 HydrophobicContact CD2-CG1 3.85Å; L241-I343 HydrophobicContact CD1-CD1 4.43Å; L241-I343 HydrophobicContact CD2-CD1 4.48Å
242	K	97	Very high	96.6	Very high	156 Å²	156	61.3 Å²	61.3	68%	0.678	36%	0.359	S	S	*	.	H	α-helix	trans	-64.9	-48.4	178	-175.4	179.5	178.3	-176.9	0	112	T240 F244 M245 N246	T240-K242 PolarHBondContact O-N 3.26Å; K242-F244 VanDerWaalsContact C-N 3.35Å; K242-M245 PolarHBondContact O-N 2.97Å; K242-N246 WeakPolarHBondContact O-CB 3.27Å; K242-N246 PolarHBondContact O-N 2.89Å; K242-N246 VanDerWaalsContact O-N 3.1Å; K242-N246 PolarHBondContact O-OD1 2.8Å
243	E	97.6	Very high	96.9	Very high	102 Å²	102	56.7 Å²	56.7	48%	0.477	33%	0.325	S	S	.	.	H	α-helix	trans	-65	-41.4	177	-67.3	154.5	140.6	0	0	111.2	V239 T240 M245 N246 C247	V239-E243 HydrophobicContact CG2-CB 3.68Å; T240-E243 WeakPolarHBondContact CA-OE2 3.17Å; T240-E243 VanDerWaalsContact CB-OE2 3.22Å; T240-E243 WeakPolarHBondContact CB-OE2 3.27Å; T240-E243 VanDerWaalsContact CG2-OE2 3.3Å; T240-E243 WeakPolarHBondContact CG2-OE2 3.44Å; T240-E243 PolarHBondContact N-OE2 2.61Å; T240-E243 PolarHBondContact O-N 2.84Å; T240-E243 VanDerWaalsContact OG1-CD 3.25Å; T240-E243 WeakPolarHBondContact OG1-CG 3.44Å; T240-E243 PolarHBondContact OG1-N 3.32Å; T240-E243 PolarHBondContact OG1-OE2 2.74Å; E243-M245 VanDerWaalsContact C-N 3.3Å; E243-M245 PolarHBondContact O-N 2.85Å; E243-N246 PolarHBondContact O-N 3.36Å; E243-N246 VanDerWaalsContact O-N 3.11Å; E243-C247 PolarHBondContact O-N 3.42Å
244	F	98.3	Very high	97.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59	-40.9	177.1	-168	-103.9	0	0	0	112.5	Y197 E200 W201 V204 W236 V239 T240 L241 K242 N250 A252	Y197-F244 HydrophobicContact CD1-CD1 4.43Å; Y197-F244 HydrophobicContact CD1-CE1 4.19Å; Y197-F244 HydrophobicContact CD2-CE1 4.46Å; Y197-F244 AromaticContact CE1-CD1 3.64Å; Y197-F244 HydrophobicContact CE1-CD1 3.64Å; Y197-F244 AromaticContact CE1-CE1 3.7Å; Y197-F244 HydrophobicContact CE1-CE1 3.7Å; Y197-F244 HydrophobicContact CE2-CE1 4.01Å; Y197-F244 AromaticContact CZ-CD1 3.74Å; Y197-F244 AromaticContact CZ-CE1 3.62Å; E200-F244 HydrophobicContact CG-CZ 4.43Å; W201-F244 HydrophobicContact CB-CD1 3.66Å; W201-F244 HydrophobicContact CB-CE1 3.74Å; W201-F244 HydrophobicContact CB-CG 4.08Å; W201-F244 HydrophobicContact CB-CZ 4.25Å; W201-F244 AromaticContact CD1-CG 3.87Å; W201-F244 HydrophobicContact CG-CB 4.48Å; W201-F244 HydrophobicContact CG-CD1 4.23Å; W201-F244 HydrophobicContact CG-CG 4.28Å; V204-F244 HydrophobicContact CB-CD2 4.5Å; V204-F244 HydrophobicContact CB-CE2 3.92Å; V204-F244 HydrophobicContact CG1-CD2 4.31Å; V204-F244 HydrophobicContact CG1-CE2 3.97Å; V204-F244 HydrophobicContact CG2-CE2 3.82Å; V204-F244 HydrophobicContact CG2-CZ 4.29Å; W236-F244 AromaticContact CE3-CD2 3.93Å; W236-F244 HydrophobicContact CE3-CD2 3.93Å; W236-F244 HydrophobicContact CE3-CE2 4.18Å; W236-F244 HydrophobicContact CH2-CB 4.49Å; W236-F244 AromaticContact CH2-CD2 3.88Å; W236-F244 HydrophobicContact CH2-CD2 3.88Å; W236-F244 AromaticContact CZ3-CD2 3.44Å; W236-F244 HydrophobicContact CZ3-CD2 3.44Å; W236-F244 VanDerWaalsContact CZ3-CD2 3.44Å; W236-F244 AromaticContact CZ3-CE2 3.78Å; W236-F244 HydrophobicContact CZ3-CE2 3.78Å; W236-F244 HydrophobicContact CZ3-CG 4.44Å; V239-F244 HydrophobicContact CG1-CD2 4.34Å; V239-F244 HydrophobicContact CG2-CB 4.24Å; T240-F244 WeakPolarHBondContact O-CB 3.44Å; T240-F244 PolarHBondContact O-N 3Å; L241-F244 PolarHBondContact O-N 3.26Å; K242-F244 VanDerWaalsContact C-N 3.35Å; F244-N250 WeakPolarHBondContact CD2-ND2 3.47Å; F244-N250 WeakPolarHBondContact CE1-ND2 2.99Å; F244-N250 VanDerWaalsContact CE2-ND2 3.33Å; F244-N250 WeakPolarHBondContact CE2-ND2 3Å; F244-N250 VanDerWaalsContact CZ-ND2 3.32Å; F244-N250 WeakPolarHBondContact CZ-ND2 3.33Å; F244-N250 PolarHBondContact O-ND2 2.82Å; F244-A252 HydrophobicContact CE1-CB 3.76Å; F244-A252 HydrophobicContact CZ-CB 3.49Å; F244-A252 VanDerWaalsContact CZ-CB 3.49Å
245	M	98	Very high	97.4	Very high	16 Å²	16	48.9 Å²	48.9	8%	0.079	27%	0.266	C	S	.	.	H	α-helix	trans	-77.4	-16.3	177.3	-72.2	168.1	63.8	0	0	114.3	Y197 L241 K242 E243 V339 R342 I343 L346	Y197-M245 HydrophobicContact CE1-CG 3.82Å; L241-M245 HydrophobicContact CD1-CG 4.05Å; L241-M245 HydrophobicContact CD1-SD 3.62Å; L241-M245 HydrophobicContact CD2-SD 4.34Å; L241-M245 HydrophobicContact CG-CG 4.49Å; L241-M245 HydrophobicContact CG-SD 3.6Å; L241-M245 WeakPolarHBondContact O-CB 3.48Å; L241-M245 WeakPolarHBondContact O-CG 3.32Å; L241-M245 PolarHBondContact O-N 3.05Å; K242-M245 PolarHBondContact O-N 2.97Å; E243-M245 VanDerWaalsContact C-N 3.3Å; E243-M245 PolarHBondContact O-N 2.85Å; M245-V339 HydrophobicContact SD-CG1 4.4Å; M245-R342 HydrophobicContact CE-CB 3.69Å; M245-R342 HydrophobicContact CE-CG 3.41Å; M245-R342 VanDerWaalsContact CE-CG 3.41Å; M245-I343 HydrophobicContact CE-CG1 3.66Å; M245-I343 HydrophobicContact CG-CG1 4.45Å; M245-I343 HydrophobicContact SD-CD1 4.15Å; M245-I343 HydrophobicContact SD-CG1 3.67Å; M245-L346 HydrophobicContact CB-CD1 3.69Å; M245-L346 HydrophobicContact CE-CD1 4.14Å; M245-L346 HydrophobicContact CG-CD1 3.83Å; M245-L346 WeakPolarHBondContact O-CD1 3.48Å
246	N	97.7	Very high	97.6	Very high	98 Å²	98	46.3 Å²	46.3	52%	0.524	25%	0.252	S	S	.	.	H	α-helix	trans	-91.9	-19.6	-175.6	-79.1	-1	0	0	0	114.1	K242 E243 Q248	K242-N246 WeakPolarHBondContact O-CB 3.27Å; K242-N246 PolarHBondContact O-N 2.89Å; K242-N246 VanDerWaalsContact O-N 3.1Å; K242-N246 PolarHBondContact O-OD1 2.8Å; E243-N246 PolarHBondContact O-N 3.36Å; E243-N246 VanDerWaalsContact O-N 3.11Å; N246-Q248 PolarHBondContact O-N 3.29Å
247	C	97.4	Very high	97.7	Very high	19 Å²	19	44.4 Å²	44.4	13%	0.128	25%	0.245	C	C	.	.			trans	-73.5	119.8	174.7	178.8	0	0	0	0	111.3	C230 W236 E243 S249 N250	C230-C247 WeakPolarHBondContact CA-SG 3.36Å; C230-C247 HydrophobicContact CB-CB 3.68Å; C230-C247 WeakPolarHBondContact CB-SG 3.3Å; C230-C247 WeakPolarHBondContact SG-CB 3.39Å; C230-C247 CovalentContact SG-SG 2.03Å; C230-C247 PolarHBondContact SG-SG 2.94Å; W236-C247 HydrophobicContact CH2-CB 3.78Å; W236-C247 HydrophobicContact CZ2-CB 4.33Å; E243-C247 PolarHBondContact O-N 3.42Å; C247-S249 PolarHBondContact SG-OG 3.41Å; C247-S249 VanDerWaalsContact SG-OG 3.35Å; C247-N250 HydrophobicContact CB-CB 4.21Å; C247-N250 WeakPolarHBondContact O-CB 3.47Å; C247-N250 PolarHBondContact O-N 3.41Å
248	Q	95.2	Very high	97.7	Very high	177 Å²	177	42.4 Å²	42.4	83%	0.827	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-41.4	-179.9	-62.9	83.2	-4.2	0	0	112.3	N246 N250	N246-Q248 PolarHBondContact O-N 3.29Å; Q248-N250 PolarHBondContact O-N 3.16Å
249	S	95.8	Very high	97.9	Very high	39 Å²	39	40 Å²	40	27%	0.273	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	10.6	-178.8	61.4	0	0	0	0	114.5	P228 C247 L251	P228-S249 VanDerWaalsContact O-CB 3.29Å; P228-S249 WeakPolarHBondContact O-CB 3.24Å; P228-S249 PolarHBondContact O-OG 2.61Å; C247-S249 PolarHBondContact SG-OG 3.41Å; C247-S249 VanDerWaalsContact SG-OG 3.35Å; S249-L251 PolarHBondContact O-N 3.26Å
250	N	98.2	Very high	97.9	Very high	12 Å²	12	39.8 Å²	39.8	6%	0.064	20%	0.2	C	C	.	.			trans	-63.9	108.3	-177.4	-173.7	-8.1	0	0	0	111.2	C230 F244 C247 Q248 A252 N253	C230-N250 WeakPolarHBondContact SG-CA 3.32Å; C230-N250 PolarHBondContact SG-N 3.38Å; F244-N250 WeakPolarHBondContact CD2-ND2 3.47Å; F244-N250 WeakPolarHBondContact CE1-ND2 2.99Å; F244-N250 VanDerWaalsContact CE2-ND2 3.33Å; F244-N250 WeakPolarHBondContact CE2-ND2 3Å; F244-N250 VanDerWaalsContact CZ-ND2 3.32Å; F244-N250 WeakPolarHBondContact CZ-ND2 3.33Å; F244-N250 PolarHBondContact O-ND2 2.82Å; C247-N250 HydrophobicContact CB-CB 4.21Å; C247-N250 WeakPolarHBondContact O-CB 3.47Å; C247-N250 PolarHBondContact O-N 3.41Å; Q248-N250 PolarHBondContact O-N 3.16Å; N250-A252 PolarHBondContact O-N 2.89Å; N250-A252 WeakPolarHBondContact OD1-CB 3.27Å; N250-A252 PolarHBondContact OD1-N 3.36Å; N250-N253 VanDerWaalsContact O-CB 3.29Å; N250-N253 WeakPolarHBondContact O-CB 3.17Å; N250-N253 PolarHBondContact O-N 3.33Å
251	L	98.3	Very high	98	Very high	38 Å²	38	36.6 Å²	36.6	20%	0.199	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-11.3	178	-67.8	-176.2	0	0	0	114.7	L227 S249 N253 R255 R258	L227-L251 HydrophobicContact CD1-CD1 4.28Å; L227-L251 HydrophobicContact CD1-CD2 4.17Å; L227-L251 HydrophobicContact CD2-CD1 4.03Å; L227-L251 HydrophobicContact CD2-CD2 4.1Å; L227-L251 HydrophobicContact CD2-CG 4.11Å; L227-L251 HydrophobicContact CG-CD2 4.23Å; S249-L251 PolarHBondContact O-N 3.26Å; L251-N253 VanDerWaalsContact C-N 3.31Å; L251-R255 PolarHBondContact O-NE 3.49Å; L251-R255 PolarHBondContact O-NH2 3.39Å; L251-R258 PolarHBondContact O-NH1 2.92Å; L251-R258 PolarHBondContact O-NH2 3.29Å
252	A	98.6	Very high	98.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-28.5	168.9	0	0	0	0	0	113	R196 Y197 E200 F244 N250 N347	R196-A252 PolarHBondContact NH2-O 2.99Å; Y197-A252 HydrophobicContact CD2-CB 3.87Å; Y197-A252 HydrophobicContact CE2-CB 3.64Å; E200-A252 VanDerWaalsContact CD-CB 3.47Å; E200-A252 HydrophobicContact CG-CB 4.18Å; E200-A252 WeakPolarHBondContact OE1-CA 3.28Å; E200-A252 WeakPolarHBondContact OE1-CB 3.49Å; F244-A252 HydrophobicContact CE1-CB 3.76Å; F244-A252 HydrophobicContact CZ-CB 3.49Å; F244-A252 VanDerWaalsContact CZ-CB 3.49Å; N250-A252 PolarHBondContact O-N 2.89Å; N250-A252 WeakPolarHBondContact OD1-CB 3.27Å; N250-A252 PolarHBondContact OD1-N 3.36Å; A252-N347 PolarHBondContact O-OD1 3.47Å
253	N	98.6	Very high	98.2	Very high	23 Å²	23	29.5 Å²	29.5	12%	0.123	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	131.6	176.6	-58.6	-16.8	0	0	0	109.5	Y197 N250 L251 R255 R258 L346	Y197-N253 VanDerWaalsContact CE2-OD1 3.23Å; Y197-N253 WeakPolarHBondContact CE2-OD1 3.36Å; Y197-N253 PolarHBondContact OH-OD1 3.35Å; Y197-N253 VanDerWaalsContact OH-OD1 3.05Å; N250-N253 VanDerWaalsContact O-CB 3.29Å; N250-N253 WeakPolarHBondContact O-CB 3.17Å; N250-N253 PolarHBondContact O-N 3.33Å; L251-N253 VanDerWaalsContact C-N 3.31Å; N253-R255 PolarHBondContact O-N 2.83Å; N253-R258 PolarHBondContact O-NH1 3.16Å; N253-R258 VanDerWaalsContact O-NH1 3.07Å; N253-L346 WeakPolarHBondContact CB-O 3.4Å
254	N	98.8	Very high	98.2	Very high	24 Å²	24	26.8 Å²	26.8	13%	0.128	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	37.3	179	-68.8	-44.1	0	0	0	114.7	R258 N347 F348 L349 D350	N254-R258 WeakPolarHBondContact O-CB 3.46Å; N254-R258 PolarHBondContact O-N 3.09Å; N254-N347 PolarHBondContact N-OD1 3.2Å; N254-N347 VanDerWaalsContact OD1-CA 3.22Å; N254-N347 WeakPolarHBondContact OD1-CA 3.45Å; N254-N347 PolarHBondContact OD1-O 3.13Å; N254-F348 PolarHBondContact OD1-N 3.13Å; N254-L349 HydrophobicContact CB-CB 4.31Å; N254-L349 HydrophobicContact CB-CD1 4.38Å; N254-L349 WeakPolarHBondContact OD1-CB 3.3Å; N254-L349 PolarHBondContact OD1-N 3.1Å; N254-D350 WeakPolarHBondContact CA-OD1 3.39Å; N254-D350 PolarHBondContact OD1-N 3.38Å; N254-D350 VanDerWaalsContact OD1-N 3.17Å
255	R	98.9	Very high	98.2	Very high	7 Å²	7	31 Å²	31	3%	0.026	17%	0.165	C	C	.	.	H	α-helix	trans	-64.7	-41.2	-172.5	-179.3	179.5	-76.8	-72.1	0.5	113.5	I102 Q103 E200 L251 N253 M259 D350	I102-R255 HydrophobicContact CG2-CG 4.06Å; Q103-R255 VanDerWaalsContact CD-NH1 3.28Å; E200-R255 VanDerWaalsContact CD-NE 3.28Å; E200-R255 IonicContact OE1-CZ 3.46Å; E200-R255 IonicContact OE1-NE 3.65Å; E200-R255 PolarHBondContact OE1-NE 2.86Å; E200-R255 IonicContact OE1-NH2 2.74Å; E200-R255 PolarHBondContact OE1-NH2 2.84Å; E200-R255 WeakPolarHBondContact OE2-CD 3.1Å; E200-R255 IonicContact OE2-CZ 2.78Å; E200-R255 IonicContact OE2-NE 3.57Å; E200-R255 PolarHBondContact OE2-NE 2.67Å; L251-R255 PolarHBondContact O-NE 3.49Å; L251-R255 PolarHBondContact O-NH2 3.39Å; N253-R255 PolarHBondContact O-N 2.83Å; R255-M259 HydrophobicContact CG-CG 4.18Å; R255-M259 HydrophobicContact CG-SD 3.55Å; R255-M259 VanDerWaalsContact CG-SD 3.55Å; R255-M259 VanDerWaalsContact O-CB 3.29Å; R255-M259 WeakPolarHBondContact O-CB 3.5Å; R255-M259 VanDerWaalsContact O-CG 3.29Å; R255-M259 WeakPolarHBondContact O-CG 3.15Å; R255-M259 PolarHBondContact O-N 3.16Å; R255-D350 PolarHBondContact N-OD1 3.48Å
256	Q	98.9	Very high	98.1	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-68.6	-40.9	-177.7	-64.4	173	115.3	0	0	111	I102 T105 L190 R191 R196 L260 D350 L353	I102-Q256 HydrophobicContact CD1-CB 4.34Å; I102-Q256 HydrophobicContact CD1-CG 4.28Å; I102-Q256 HydrophobicContact CG2-CG 4.12Å; T105-Q256 HydrophobicContact CG2-CG 4.39Å; L190-Q256 HydrophobicContact CD2-CB 4.07Å; L190-Q256 HydrophobicContact CD2-CG 4.01Å; R191-Q256 PolarHBondContact O-NE2 2.93Å; R191-Q256 PolarHBondContact O-OE1 3.49Å; R196-Q256 VanDerWaalsContact CD-CD 3.48Å; Q256-L260 WeakPolarHBondContact O-CB 3.18Å; Q256-L260 WeakPolarHBondContact O-CG 3.3Å; Q256-L260 PolarHBondContact O-N 3.39Å; Q256-D350 WeakPolarHBondContact CA-OD1 3.13Å; Q256-D350 WeakPolarHBondContact CB-OD1 3.43Å; Q256-D350 WeakPolarHBondContact CB-OD2 3.49Å; Q256-D350 WeakPolarHBondContact CG-OD2 3.44Å; Q256-D350 PolarHBondContact N-OD1 2.82Å; Q256-D350 PolarHBondContact N-OD2 2.88Å; Q256-D350 PolarHBondContact NE2-OD2 3.4Å; Q256-L353 HydrophobicContact CB-CD2 4.06Å
257	V	98.9	Very high	98.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.3	-53.1	172.9	166.6	0	0	0	0	111.2	M259 L260 A261 L283 L284 A287 L349 D350 L353	V257-M259 PolarHBondContact O-N 3.12Å; V257-L260 PolarHBondContact O-N 3.04Å; V257-L260 VanDerWaalsContact O-N 3.1Å; V257-A261 WeakPolarHBondContact O-CB 3.47Å; V257-A261 PolarHBondContact O-N 3.32Å; V257-L283 HydrophobicContact CG1-CB 3.84Å; V257-L284 HydrophobicContact CG2-CD1 3.96Å; V257-A287 HydrophobicContact CB-CB 4.33Å; V257-A287 HydrophobicContact CG1-CB 4.1Å; V257-A287 HydrophobicContact CG2-CB 4.29Å; V257-L349 HydrophobicContact CB-CB 4.11Å; V257-L349 HydrophobicContact CG1-CB 4.12Å; V257-L349 HydrophobicContact CG1-CD1 4.28Å; V257-L349 HydrophobicContact CG2-CB 3.81Å; V257-L349 WeakPolarHBondContact CG2-O 3.26Å; V257-D350 PolarHBondContact N-OD1 2.99Å; V257-L353 HydrophobicContact CB-CD2 4.42Å; V257-L353 HydrophobicContact CG2-CB 3.56Å; V257-L353 HydrophobicContact CG2-CD2 3.56Å; V257-L353 HydrophobicContact CG2-CG 4.1Å
258	R	98.8	Very high	98	Very high	26 Å²	26	26.3 Å²	26.3	10%	0.098	15%	0.145	C	C	.	.	H	α-helix	trans	-58.6	-35.8	-179	-170.2	-175.4	65.3	-103.3	-4.7	112.5	L251 N253 N254 L263	L251-R258 PolarHBondContact O-NH1 2.92Å; L251-R258 PolarHBondContact O-NH2 3.29Å; N253-R258 PolarHBondContact O-NH1 3.16Å; N253-R258 VanDerWaalsContact O-NH1 3.07Å; N254-R258 WeakPolarHBondContact O-CB 3.46Å; N254-R258 PolarHBondContact O-N 3.09Å; R258-L263 HydrophobicContact CG-CD1 4.32Å; R258-L263 HydrophobicContact CG-CD2 3.91Å
259	M	98.9	Very high	98.1	Very high	5 Å²	5	18.5 Å²	18.5	3%	0.025	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-3	-178.9	-66.6	-176.9	67.5	0	0	115	I102 Q103 H158 D160 W161 R255 V257	I102-M259 HydrophobicContact CD1-CB 4.47Å; I102-M259 HydrophobicContact CG1-CB 4.34Å; I102-M259 HydrophobicContact CG2-SD 4Å; Q103-M259 PolarHBondContact OE1-SD 3.09Å; H158-M259 HydrophobicContact CB-CE 4.44Å; H158-M259 WeakPolarHBondContact O-CE 3.26Å; D160-M259 HydrophobicContact CB-CB 3.84Å; D160-M259 HydrophobicContact CB-CE 4.07Å; D160-M259 HydrophobicContact CB-CG 3.93Å; W161-M259 PolarHBondContact N-O 3.18Å; R255-M259 HydrophobicContact CG-CG 4.18Å; R255-M259 HydrophobicContact CG-SD 3.55Å; R255-M259 VanDerWaalsContact CG-SD 3.55Å; R255-M259 VanDerWaalsContact O-CB 3.29Å; R255-M259 WeakPolarHBondContact O-CB 3.5Å; R255-M259 VanDerWaalsContact O-CG 3.29Å; R255-M259 WeakPolarHBondContact O-CG 3.15Å; R255-M259 PolarHBondContact O-N 3.16Å; V257-M259 PolarHBondContact O-N 3.12Å
260	L	98.9	Very high	98.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-21.5	175.4	-73.3	172.4	0	0	0	113.5	L100 I102 T188 L190 Q256 V257 A287 N290 L291 M294 L353	L100-L260 HydrophobicContact CD1-CD2 4.05Å; I102-L260 HydrophobicContact CD1-CD1 4.11Å; I102-L260 HydrophobicContact CD1-CD2 4.43Å; I102-L260 HydrophobicContact CD1-CG 4Å; T188-L260 HydrophobicContact CG2-CD2 4.24Å; L190-L260 HydrophobicContact CD2-CD1 3.9Å; Q256-L260 WeakPolarHBondContact O-CB 3.18Å; Q256-L260 WeakPolarHBondContact O-CG 3.3Å; Q256-L260 PolarHBondContact O-N 3.39Å; V257-L260 PolarHBondContact O-N 3.04Å; V257-L260 VanDerWaalsContact O-N 3.1Å; L260-A287 HydrophobicContact CB-CB 3.91Å; L260-N290 VanDerWaalsContact O-CB 3.27Å; L260-N290 WeakPolarHBondContact O-CB 3.47Å; L260-N290 PolarHBondContact O-ND2 3.41Å; L260-L291 HydrophobicContact CD1-CB 4.39Å; L260-L291 HydrophobicContact CD1-CD1 4.04Å; L260-M294 HydrophobicContact CD2-CE 3.45Å; L260-M294 VanDerWaalsContact CD2-CE 3.45Å; L260-M294 HydrophobicContact CD2-SD 4.44Å; L260-L353 HydrophobicContact CD1-CD2 3.96Å
261	A	98.8	Very high	97.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-69.9	153.8	171.8	0	0	0	0	0	111.7	T162 V257 L263 L283 A287	T162-A261 PolarHBondContact OG1-O 2.94Å; V257-A261 WeakPolarHBondContact O-CB 3.47Å; V257-A261 PolarHBondContact O-N 3.32Å; A261-L263 HydrophobicContact CB-CD2 4.45Å; A261-L283 HydrophobicContact CB-CB 4.45Å; A261-L283 HydrophobicContact CB-CD2 3.58Å; A261-A287 HydrophobicContact CB-CB 4.31Å
262	D	98.6	Very high	97.5	Very high	32 Å²	32	27.9 Å²	27.9	17%	0.171	16%	0.162	C	C	.	.			trans	-74.1	117.1	156	-172.1	-19.6	0	0	0	108.6	W161 S264 L265 S286	W161-D262 HydrophobicContact CE3-CB 3.93Å; W161-D262 HydrophobicContact CH2-CB 4.04Å; W161-D262 HydrophobicContact CZ3-CB 3.38Å; D262-S264 VanDerWaalsContact CG-OG 3.29Å; D262-S264 WeakPolarHBondContact OD1-CB 3.37Å; D262-S264 PolarHBondContact OD1-N 3.44Å; D262-S264 PolarHBondContact OD1-OG 2.9Å; D262-S264 PolarHBondContact OD2-OG 2.88Å; D262-L265 HydrophobicContact CB-CD1 3.81Å; D262-L265 HydrophobicContact CB-CG 3.87Å; D262-S286 PolarHBondContact N-OG 3.1Å
263	L	98.4	Very high	97.2	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	18%	0.179	C	C	.	.	S	Bend	trans	-82.4	-19.2	-178	-61.3	-178.1	0	0	0	112.7	T162 R258 A261 L265 V266 C268 Y269 L283	T162-L263 HydrophobicContact CG2-CB 4.48Å; T162-L263 PolarHBondContact OG1-N 3.23Å; R258-L263 HydrophobicContact CG-CD1 4.32Å; R258-L263 HydrophobicContact CG-CD2 3.91Å; A261-L263 HydrophobicContact CB-CD2 4.45Å; L263-L265 PolarHBondContact O-N 3.46Å; L263-V266 WeakPolarHBondContact O-CG2 3.48Å; L263-V266 PolarHBondContact O-N 3.31Å; L263-V266 VanDerWaalsContact O-N 3.16Å; L263-C268 VanDerWaalsContact O-CA 3.28Å; L263-C268 WeakPolarHBondContact O-CA 3.41Å; L263-C268 PolarHBondContact O-N 3.4Å; L263-Y269 HydrophobicContact CD1-CE2 3.96Å; L263-Y269 WeakPolarHBondContact CD1-OH 3.41Å; L263-L283 HydrophobicContact CD2-CD2 3.63Å
264	S	97.8	Very high	97	Very high	45 Å²	45	31.3 Å²	31.3	32%	0.315	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-61.4	-36.6	176.5	69.9	0	0	0	0	111.2	D218 D262 V266 G267	D218-S264 WeakPolarHBondContact OD1-CB 3.42Å; D262-S264 VanDerWaalsContact CG-OG 3.29Å; D262-S264 WeakPolarHBondContact OD1-CB 3.37Å; D262-S264 PolarHBondContact OD1-N 3.44Å; D262-S264 PolarHBondContact OD1-OG 2.9Å; D262-S264 PolarHBondContact OD2-OG 2.88Å; S264-V266 PolarHBondContact O-N 3.24Å; S264-G267 PolarHBondContact O-N 3Å
265	L	97.9	Very high	96.9	Very high	89 Å²	89	36.1 Å²	36.1	47%	0.466	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-57.7	-15	177.2	-57.3	-179.2	0	0	0	114.5	D262 L263 I282	D262-L265 HydrophobicContact CB-CD1 3.81Å; D262-L265 HydrophobicContact CB-CG 3.87Å; L263-L265 PolarHBondContact O-N 3.46Å; L265-I282 HydrophobicContact CB-CG2 3.71Å; L265-I282 HydrophobicContact CD1-CG2 4.31Å
266	V	97.4	Very high	96.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-124.8	18.1	179.2	-58.7	0	0	0	0	113.7	L263 S264 S273 M274 R279 I282 L283	L263-V266 WeakPolarHBondContact O-CG2 3.48Å; L263-V266 PolarHBondContact O-N 3.31Å; L263-V266 VanDerWaalsContact O-N 3.16Å; S264-V266 PolarHBondContact O-N 3.24Å; V266-S273 PolarHBondContact O-OG 3.03Å; V266-M274 HydrophobicContact CB-CE 4.35Å; V266-M274 HydrophobicContact CB-SD 4.18Å; V266-M274 HydrophobicContact CG1-CE 4.45Å; V266-M274 HydrophobicContact CG1-SD 4.04Å; V266-R279 HydrophobicContact CB-CG 3.91Å; V266-R279 HydrophobicContact CG1-CG 3.98Å; V266-R279 HydrophobicContact CG2-CG 4.28Å; V266-I282 HydrophobicContact CG1-CB 3.82Å; V266-I282 HydrophobicContact CG1-CD1 4.42Å; V266-I282 HydrophobicContact CG1-CG2 3.54Å; V266-L283 HydrophobicContact CG1-CD2 4.41Å; V266-L283 HydrophobicContact CG1-CG 4.19Å; V266-L283 HydrophobicContact CG2-CD2 3.89Å; V266-L283 HydrophobicContact CG2-CG 4.28Å
267	G	96.5	Very high	96.5	Very high	27 Å²	27	46.2 Å²	46.2	28%	0.278	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	35.4	-176.5	0	0	0	0	0	112.9	S264 Y269 N270	S264-G267 PolarHBondContact O-N 3Å; G267-Y269 PolarHBondContact O-N 3.47Å; G267-N270 WeakPolarHBondContact O-CB 3.14Å; G267-N270 PolarHBondContact O-N 3.09Å; G267-N270 VanDerWaalsContact O-N 3.1Å
268	C	97	Very high	96.4	Very high	6 Å²	6	51.1 Å²	51.1	4%	0.041	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	-116.9	178.4	-57.6	0	0	0	0	113.2	C217 D218 L263 R279	C217-C268 VanDerWaalsContact C-SG 3.58Å; C217-C268 HydrophobicContact CB-CB 3.58Å; C217-C268 WeakPolarHBondContact CB-SG 3.04Å; C217-C268 VanDerWaalsContact SG-CA 3.55Å; C217-C268 WeakPolarHBondContact SG-CB 3.42Å; C217-C268 CovalentContact SG-SG 2.02Å; C217-C268 PolarHBondContact SG-SG 2.69Å; D218-C268 PolarHBondContact OD2-SG 2.92Å; D218-C268 VanDerWaalsContact OD2-SG 3.41Å; L263-C268 VanDerWaalsContact O-CA 3.28Å; L263-C268 WeakPolarHBondContact O-CA 3.41Å; L263-C268 PolarHBondContact O-N 3.4Å; C268-R279 PolarHBondContact O-NH2 2.69Å; C268-R279 VanDerWaalsContact O-NH2 3.15Å
269	Y	96.3	Very high	96.4	Very high	14 Å²	14	50.9 Å²	50.9	6%	0.055	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-3	-178.8	-65.3	-88.4	0	0	0	112.7	H215 C217 P222 L227 L263 G267 M271	H215-Y269 HydrophobicContact CB-CE2 3.85Å; H215-Y269 PolarHBondContact ND1-OH 2.72Å; H215-Y269 WeakPolarHBondContact O-CE2 3.5Å; C217-Y269 HydrophobicContact CB-CE2 4.44Å; P222-Y269 HydrophobicContact CB-CD2 4.03Å; P222-Y269 HydrophobicContact CB-CG 4Å; P222-Y269 HydrophobicContact CG-CD2 4.08Å; P222-Y269 HydrophobicContact CG-CE2 4.49Å; P222-Y269 HydrophobicContact CG-CG 4.25Å; L227-Y269 HydrophobicContact CD1-CD1 3.93Å; L227-Y269 HydrophobicContact CD1-CE1 3.92Å; L227-Y269 HydrophobicContact CG-CD1 4.45Å; L263-Y269 HydrophobicContact CD1-CE2 3.96Å; L263-Y269 WeakPolarHBondContact CD1-OH 3.41Å; G267-Y269 PolarHBondContact O-N 3.47Å; Y269-M271 PolarHBondContact O-N 2.91Å
270	N	95.1	Very high	96.4	Very high	67 Å²	67	51.6 Å²	51.6	36%	0.358	29%	0.294	S	S	.	.			trans	-71.7	95.6	173.6	-179.4	-3.2	0	0	0	110	G267 S272 S273	G267-N270 WeakPolarHBondContact O-CB 3.14Å; G267-N270 PolarHBondContact O-N 3.09Å; G267-N270 VanDerWaalsContact O-N 3.1Å; N270-S272 PolarHBondContact O-N 3.26Å; N270-S272 WeakPolarHBondContact OD1-CA 3.29Å; N270-S272 WeakPolarHBondContact OD1-CB 3.35Å; N270-S272 PolarHBondContact OD1-N 2.95Å; N270-S273 WeakPolarHBondContact O-CB 3.29Å; N270-S273 PolarHBondContact O-N 3.32Å; N270-S273 PolarHBondContact O-OG 2.74Å; N270-S273 VanDerWaalsContact O-OG 3.05Å
271	M	91.8	Very high	96.3	Very high	104 Å²	104	58 Å²	58	51%	0.512	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-13.4	179.3	-66.7	-62.5	-60.9	0	0	114	Y269 R279	Y269-M271 PolarHBondContact O-N 2.91Å; M271-R279 PolarHBondContact SD-NH1 2.78Å
272	S	92.9	Very high	96.3	Very high	114 Å²	114	60 Å²	60	80%	0.797	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	2.6	177.7	-56.3	0	0	0	0	113.6	N270 M274	N270-S272 PolarHBondContact O-N 3.26Å; N270-S272 WeakPolarHBondContact OD1-CA 3.29Å; N270-S272 WeakPolarHBondContact OD1-CB 3.35Å; N270-S272 PolarHBondContact OD1-N 2.95Å; S272-M274 VanDerWaalsContact C-N 3.32Å; S272-M274 PolarHBondContact O-N 2.89Å
273	S	91.2	Very high	96.3	Very high	51 Å²	51	58.8 Å²	58.8	36%	0.357	33%	0.327	S	S	.	.	S	Bend	trans	-65.9	-31.2	-179.8	65.9	0	0	0	0	113.7	V266 N270	V266-S273 PolarHBondContact O-OG 3.03Å; N270-S273 WeakPolarHBondContact O-CB 3.29Å; N270-S273 PolarHBondContact O-N 3.32Å; N270-S273 PolarHBondContact O-OG 2.74Å; N270-S273 VanDerWaalsContact O-OG 3.05Å
274	M	95	Very high	96.3	Very high	45 Å²	45	59.6 Å²	59.6	22%	0.222	33%	0.331	C	S	.	.	S	Bend	trans	-164.1	166.6	-176.3	61.9	177.8	62.4	0	0	111.6	V266 S272 Q278 R279 I282	V266-M274 HydrophobicContact CB-CE 4.35Å; V266-M274 HydrophobicContact CB-SD 4.18Å; V266-M274 HydrophobicContact CG1-CE 4.45Å; V266-M274 HydrophobicContact CG1-SD 4.04Å; S272-M274 VanDerWaalsContact C-N 3.32Å; S272-M274 PolarHBondContact O-N 2.89Å; M274-Q278 HydrophobicContact SD-CG 4.15Å; M274-R279 HydrophobicContact CG-CB 3.93Å; M274-R279 HydrophobicContact SD-CB 3.9Å; M274-I282 HydrophobicContact CE-CD1 4.16Å; M274-I282 HydrophobicContact SD-CD1 3.82Å
275	N	96.2	Very high	96.4	Very high	125 Å²	125	60.6 Å²	60.6	67%	0.668	34%	0.339	S	S	*	.			trans	-61.4	139.8	177.7	-68.1	-25.8	0	0	0	112.3	S277 Q278 R279	N275-S277 VanDerWaalsContact C-N 3.32Å; N275-S277 PolarHBondContact O-N 3.13Å; N275-Q278 WeakPolarHBondContact O-CB 3.27Å; N275-Q278 PolarHBondContact O-N 2.85Å; N275-R279 PolarHBondContact O-N 3.34Å
276	E	95.4	Very high	96.4	Very high	120 Å²	120	56.9 Å²	56.9	56%	0.561	32%	0.32	S	S	*	.	H	α-helix	trans	-56.9	-42.3	-174.2	-155.2	-149.6	130	0	0	112.9	Q278 R279 N280	E276-Q278 VanDerWaalsContact C-N 3.34Å; E276-Q278 PolarHBondContact O-N 3.21Å; E276-R279 WeakPolarHBondContact O-CB 3.4Å; E276-R279 PolarHBondContact O-N 3.09Å; E276-N280 VanDerWaalsContact O-CB 3.22Å; E276-N280 WeakPolarHBondContact O-CB 3.09Å; E276-N280 PolarHBondContact O-N 2.84Å; E276-N280 PolarHBondContact O-ND2 3.27Å; E276-N280 VanDerWaalsContact O-ND2 3.14Å; E276-N280 PolarHBondContact OE1-ND2 2.92Å
277	S	95.6	Very high	96.5	Very high	100 Å²	100	56.9 Å²	56.9	70%	0.699	32%	0.32	S	S	*	.	H	α-helix	trans	-58.1	-42.7	176.8	-176.5	0	0	0	0	112.9	N275 H281	N275-S277 VanDerWaalsContact C-N 3.32Å; N275-S277 PolarHBondContact O-N 3.13Å; S277-H281 PolarHBondContact O-N 3.28Å
278	Q	96.9	Very high	96.6	Very high	102 Å²	102	57.2 Å²	57.2	48%	0.477	32%	0.315	S	S	.	.	H	α-helix	trans	-67.4	-46	176.7	-179.9	178.9	-6.2	0	0	111	M274 N275 E276 N280 H281 I282	M274-Q278 HydrophobicContact SD-CG 4.15Å; N275-Q278 WeakPolarHBondContact O-CB 3.27Å; N275-Q278 PolarHBondContact O-N 2.85Å; E276-Q278 VanDerWaalsContact C-N 3.34Å; E276-Q278 PolarHBondContact O-N 3.21Å; Q278-N280 VanDerWaalsContact C-N 3.33Å; Q278-N280 PolarHBondContact O-N 3.08Å; Q278-H281 PolarHBondContact O-N 2.95Å; Q278-I282 HydrophobicContact CG-CD1 3.9Å; Q278-I282 WeakPolarHBondContact O-CG1 3.26Å; Q278-I282 PolarHBondContact O-N 3.23Å
279	R	97.9	Very high	96.7	Very high	22 Å²	22	59.4 Å²	59.4	8%	0.083	33%	0.33	C	S	.	.	H	α-helix	trans	-56.5	-46.6	175.1	-179.3	162.7	-168.7	-80.5	2.2	111.9	V266 C268 M271 M274 N275 E276 I282 L283	V266-R279 HydrophobicContact CB-CG 3.91Å; V266-R279 HydrophobicContact CG1-CG 3.98Å; V266-R279 HydrophobicContact CG2-CG 4.28Å; C268-R279 PolarHBondContact O-NH2 2.69Å; C268-R279 VanDerWaalsContact O-NH2 3.15Å; M271-R279 PolarHBondContact SD-NH1 2.78Å; M274-R279 HydrophobicContact CG-CB 3.93Å; M274-R279 HydrophobicContact SD-CB 3.9Å; N275-R279 PolarHBondContact O-N 3.34Å; E276-R279 WeakPolarHBondContact O-CB 3.4Å; E276-R279 PolarHBondContact O-N 3.09Å; R279-I282 PolarHBondContact O-N 2.96Å; R279-L283 HydrophobicContact CG-CD1 3.96Å; R279-L283 HydrophobicContact CG-CG 4.43Å; R279-L283 WeakPolarHBondContact O-CB 3.43Å; R279-L283 VanDerWaalsContact O-CG 3.28Å; R279-L283 WeakPolarHBondContact O-CG 3.35Å; R279-L283 PolarHBondContact O-N 2.7Å
280	N	98.1	Very high	96.8	Very high	20 Å²	20	59.9 Å²	59.9	11%	0.107	33%	0.334	C	S	.	.	H	α-helix	trans	-63.7	-40.5	-179.7	-72.3	-21.2	0	0	0	112	E276 Q278 L284 F348 L349	E276-N280 VanDerWaalsContact O-CB 3.22Å; E276-N280 WeakPolarHBondContact O-CB 3.09Å; E276-N280 PolarHBondContact O-N 2.84Å; E276-N280 PolarHBondContact O-ND2 3.27Å; E276-N280 VanDerWaalsContact O-ND2 3.14Å; E276-N280 PolarHBondContact OE1-ND2 2.92Å; Q278-N280 VanDerWaalsContact C-N 3.33Å; Q278-N280 PolarHBondContact O-N 3.08Å; N280-L284 WeakPolarHBondContact O-CB 3.34Å; N280-L284 PolarHBondContact O-N 2.97Å; N280-L284 VanDerWaalsContact O-N 3.09Å; N280-F348 HydrophobicContact CB-CZ 4.41Å; N280-L349 HydrophobicContact CB-CD1 4.17Å; N280-L349 HydrophobicContact CB-CD2 4.08Å
281	H	98.2	Very high	97	Very high	135 Å²	135	56.7 Å²	56.7	63%	0.625	32%	0.317	S	S	*	.	H	α-helix	trans	-65.6	-46.3	174.4	-176	80.2	0	0	0	112.5	S277 Q278 L284 S285	S277-H281 PolarHBondContact O-N 3.28Å; Q278-H281 PolarHBondContact O-N 2.95Å; H281-L284 PolarHBondContact O-N 2.98Å; H281-S285 WeakPolarHBondContact O-CB 3.39Å; H281-S285 PolarHBondContact O-N 2.71Å
282	I	98.6	Very high	97.3	Very high	42 Å²	42	54 Å²	54	22%	0.215	30%	0.302	C	S	.	.	H	α-helix	trans	-61.8	-47.4	178.5	-67.4	166.1	0	0	0	110.7	L265 V266 M274 Q278 R279 L284 S285 S286	L265-I282 HydrophobicContact CB-CG2 3.71Å; L265-I282 HydrophobicContact CD1-CG2 4.31Å; V266-I282 HydrophobicContact CG1-CB 3.82Å; V266-I282 HydrophobicContact CG1-CD1 4.42Å; V266-I282 HydrophobicContact CG1-CG2 3.54Å; M274-I282 HydrophobicContact CE-CD1 4.16Å; M274-I282 HydrophobicContact SD-CD1 3.82Å; Q278-I282 HydrophobicContact CG-CD1 3.9Å; Q278-I282 WeakPolarHBondContact O-CG1 3.26Å; Q278-I282 PolarHBondContact O-N 3.23Å; R279-I282 PolarHBondContact O-N 2.96Å; I282-L284 PolarHBondContact O-N 3.02Å; I282-S285 PolarHBondContact O-N 3.24Å; I282-S286 WeakPolarHBondContact O-CB 3.33Å; I282-S286 PolarHBondContact O-N 3.45Å
283	L	98.7	Very high	97.5	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.031	29%	0.289	C	S	.	.	H	α-helix	trans	-59	-46.3	177.9	-75.6	173.8	0	0	0	112.2	V257 A261 L263 V266 R279 A287	V257-L283 HydrophobicContact CG1-CB 3.84Å; A261-L283 HydrophobicContact CB-CB 4.45Å; A261-L283 HydrophobicContact CB-CD2 3.58Å; L263-L283 HydrophobicContact CD2-CD2 3.63Å; V266-L283 HydrophobicContact CG1-CD2 4.41Å; V266-L283 HydrophobicContact CG1-CG 4.19Å; V266-L283 HydrophobicContact CG2-CD2 3.89Å; V266-L283 HydrophobicContact CG2-CG 4.28Å; R279-L283 HydrophobicContact CG-CD1 3.96Å; R279-L283 HydrophobicContact CG-CG 4.43Å; R279-L283 WeakPolarHBondContact O-CB 3.43Å; R279-L283 VanDerWaalsContact O-CG 3.28Å; R279-L283 WeakPolarHBondContact O-CG 3.35Å; R279-L283 PolarHBondContact O-N 2.7Å; L283-A287 VanDerWaalsContact O-CB 3.26Å; L283-A287 WeakPolarHBondContact O-CB 3.48Å; L283-A287 PolarHBondContact O-N 3.2Å
284	L	98.8	Very high	97.9	Very high	17 Å²	17	51 Å²	51	9%	0.089	27%	0.273	C	S	.	.	H	α-helix	trans	-65.3	-46.3	-179.7	-174.1	61.3	0	0	0	111.8	V257 N280 H281 I282 A287 M288 L349 Q352 L353	V257-L284 HydrophobicContact CG2-CD1 3.96Å; N280-L284 WeakPolarHBondContact O-CB 3.34Å; N280-L284 PolarHBondContact O-N 2.97Å; N280-L284 VanDerWaalsContact O-N 3.09Å; H281-L284 PolarHBondContact O-N 2.98Å; I282-L284 PolarHBondContact O-N 3.02Å; L284-A287 PolarHBondContact O-N 3.21Å; L284-M288 HydrophobicContact CD1-CE 3.78Å; L284-M288 HydrophobicContact CD2-CE 4.18Å; L284-M288 HydrophobicContact CG-CE 3.84Å; L284-M288 HydrophobicContact CG-SD 4.21Å; L284-M288 WeakPolarHBondContact O-CB 3.15Å; L284-M288 VanDerWaalsContact O-CG 3.3Å; L284-M288 WeakPolarHBondContact O-CG 3.33Å; L284-M288 PolarHBondContact O-N 3.34Å; L284-L349 HydrophobicContact CB-CD2 4.38Å; L284-L349 HydrophobicContact CD1-CB 4.44Å; L284-L349 WeakPolarHBondContact CD1-O 3.36Å; L284-L349 HydrophobicContact CD2-CD2 4.42Å; L284-Q352 HydrophobicContact CD1-CB 4.04Å; L284-Q352 HydrophobicContact CD2-CB 3.86Å; L284-Q352 HydrophobicContact CD2-CG 4.42Å; L284-L353 HydrophobicContact CD1-CB 4.05Å
285	S	98.6	Very high	98	Very high	67 Å²	67	49.4 Å²	49.4	47%	0.469	27%	0.267	S	S	.	.	H	α-helix	trans	-61.9	-44.7	177.8	-175	0	0	0	0	112	H281 I282 M288 S289	H281-S285 WeakPolarHBondContact O-CB 3.39Å; H281-S285 PolarHBondContact O-N 2.71Å; I282-S285 PolarHBondContact O-N 3.24Å; S285-M288 PolarHBondContact O-N 2.85Å; S285-S289 WeakPolarHBondContact O-CB 3.18Å; S285-S289 PolarHBondContact O-N 2.98Å
286	S	98.8	Very high	98.1	Very high	11 Å²	11	43.7 Å²	43.7	8%	0.077	24%	0.236	C	C	.	.	H	α-helix	trans	-61.8	-49.4	175.8	-174.1	0	0	0	0	111.6	D262 I282 M288 S289 N290	D262-S286 PolarHBondContact N-OG 3.1Å; I282-S286 WeakPolarHBondContact O-CB 3.33Å; I282-S286 PolarHBondContact O-N 3.45Å; S286-M288 PolarHBondContact O-N 2.89Å; S286-S289 PolarHBondContact O-N 2.9Å; S286-N290 WeakPolarHBondContact O-CB 3.27Å; S286-N290 VanDerWaalsContact O-CG 3.27Å; S286-N290 PolarHBondContact O-N 2.85Å
287	A	98.9	Very high	98.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.7	-41.2	178.3	0	0	0	0	0	113	V257 L260 A261 L283 L284 L291 L353	V257-A287 HydrophobicContact CB-CB 4.33Å; V257-A287 HydrophobicContact CG1-CB 4.1Å; V257-A287 HydrophobicContact CG2-CB 4.29Å; L260-A287 HydrophobicContact CB-CB 3.91Å; A261-A287 HydrophobicContact CB-CB 4.31Å; L283-A287 VanDerWaalsContact O-CB 3.26Å; L283-A287 WeakPolarHBondContact O-CB 3.48Å; L283-A287 PolarHBondContact O-N 3.2Å; L284-A287 PolarHBondContact O-N 3.21Å; A287-L291 WeakPolarHBondContact O-CB 3.34Å; A287-L291 PolarHBondContact O-N 2.74Å; A287-L353 HydrophobicContact CB-CD1 4.14Å; A287-L353 HydrophobicContact CB-CD2 4.25Å
288	M	98.7	Very high	98.5	Very high	34 Å²	34	33.4 Å²	33.4	17%	0.167	18%	0.177	C	C	.	.	H	α-helix	trans	-62.7	-47.7	174.3	-75.3	175.3	173.3	0	0	111.6	L284 S285 S286 K292 Q352 L353 Y356	L284-M288 HydrophobicContact CD1-CE 3.78Å; L284-M288 HydrophobicContact CD2-CE 4.18Å; L284-M288 HydrophobicContact CG-CE 3.84Å; L284-M288 HydrophobicContact CG-SD 4.21Å; L284-M288 WeakPolarHBondContact O-CB 3.15Å; L284-M288 VanDerWaalsContact O-CG 3.3Å; L284-M288 WeakPolarHBondContact O-CG 3.33Å; L284-M288 PolarHBondContact O-N 3.34Å; S285-M288 PolarHBondContact O-N 2.85Å; S286-M288 PolarHBondContact O-N 2.89Å; M288-K292 VanDerWaalsContact O-CB 3.24Å; M288-K292 WeakPolarHBondContact O-CB 3.3Å; M288-K292 PolarHBondContact O-N 3.39Å; M288-Q352 HydrophobicContact CE-CB 4.48Å; M288-L353 HydrophobicContact CG-CD1 3.82Å; M288-Y356 HydrophobicContact CB-CD1 4.19Å; M288-Y356 HydrophobicContact CB-CE1 3.83Å; M288-Y356 HydrophobicContact CE-CD2 4.32Å; M288-Y356 HydrophobicContact CE-CG 4.04Å; M288-Y356 HydrophobicContact CG-CD1 3.78Å; M288-Y356 HydrophobicContact CG-CE1 3.97Å; M288-Y356 HydrophobicContact CG-CG 4.07Å; M288-Y356 HydrophobicContact SD-CD1 4.49Å; M288-Y356 HydrophobicContact SD-CD2 4.2Å; M288-Y356 HydrophobicContact SD-CE2 4.46Å; M288-Y356 HydrophobicContact SD-CG 4.2Å
289	S	98.6	Very high	98.5	Very high	52 Å²	52	28.5 Å²	28.5	36%	0.364	15%	0.154	S	C	.	.	H	α-helix	trans	-60.5	-51.5	178.4	-173.8	0	0	0	0	111.6	S285 S286 L291 K292 N293	S285-S289 WeakPolarHBondContact O-CB 3.18Å; S285-S289 PolarHBondContact O-N 2.98Å; S286-S289 PolarHBondContact O-N 2.9Å; S289-L291 PolarHBondContact O-N 3.33Å; S289-K292 PolarHBondContact O-N 2.87Å; S289-N293 WeakPolarHBondContact O-CB 3.37Å; S289-N293 PolarHBondContact O-N 2.75Å; S289-N293 PolarHBondContact O-ND2 3.4Å; S289-N293 VanDerWaalsContact O-ND2 3.12Å; S289-N293 PolarHBondContact OG-ND2 3.35Å
290	N	98.8	Very high	98.5	Very high	24 Å²	24	28.4 Å²	28.4	13%	0.128	16%	0.155	C	C	.	.	H	α-helix	trans	-60.9	-45.4	-179.5	-72.4	-14.2	0	0	0	111.6	W161 L260 S286 N293 M294	W161-N290 VanDerWaalsContact CD2-ND2 3.33Å; W161-N290 VanDerWaalsContact CE2-CG 3.44Å; W161-N290 WeakPolarHBondContact CZ2-ND2 3.32Å; W161-N290 WeakPolarHBondContact CZ2-OD1 3.25Å; L260-N290 VanDerWaalsContact O-CB 3.27Å; L260-N290 WeakPolarHBondContact O-CB 3.47Å; L260-N290 PolarHBondContact O-ND2 3.41Å; S286-N290 WeakPolarHBondContact O-CB 3.27Å; S286-N290 VanDerWaalsContact O-CG 3.27Å; S286-N290 PolarHBondContact O-N 2.85Å; N290-N293 PolarHBondContact O-N 3.16Å; N290-M294 WeakPolarHBondContact O-CG 3.19Å; N290-M294 PolarHBondContact O-N 2.91Å
291	L	98.8	Very high	98.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.5	-41.8	176.1	-177.6	70.4	0	0	0	112.8	T188 L190 L260 A287 S289 N293 M294 Y297 L353 A357	T188-L291 HydrophobicContact CG2-CD1 3.58Å; L190-L291 HydrophobicContact CD1-CD1 3.86Å; L190-L291 HydrophobicContact CD1-CD2 3.53Å; L190-L291 HydrophobicContact CD1-CG 4.36Å; L260-L291 HydrophobicContact CD1-CB 4.39Å; L260-L291 HydrophobicContact CD1-CD1 4.04Å; A287-L291 WeakPolarHBondContact O-CB 3.34Å; A287-L291 PolarHBondContact O-N 2.74Å; S289-L291 PolarHBondContact O-N 3.33Å; L291-N293 VanDerWaalsContact C-N 3.27Å; L291-N293 PolarHBondContact O-N 2.95Å; L291-M294 PolarHBondContact O-N 3.34Å; L291-Y297 HydrophobicContact CD1-CD1 3.54Å; L291-Y297 HydrophobicContact CD1-CD2 4.13Å; L291-Y297 HydrophobicContact CD1-CE1 4.08Å; L291-Y297 HydrophobicContact CD1-CG 3.59Å; L291-Y297 HydrophobicContact CD2-CE1 4.3Å; L291-Y297 HydrophobicContact CG-CD1 3.78Å; L291-Y297 HydrophobicContact CG-CE1 3.81Å; L291-Y297 HydrophobicContact CG-CG 4.24Å; L291-L353 HydrophobicContact CD2-CD1 4.04Å; L291-A357 HydrophobicContact CD2-CB 3.56Å
292	K	98.3	Very high	98.3	Very high	48 Å²	48	26 Å²	26	21%	0.209	14%	0.143	C	C	.	.	H	α-helix	trans	-62.4	-38.1	177.2	-169.7	-170.5	77.9	144.3	0	111.5	D82 R85 M288 S289 Y356 L360 R364	D82-K292 HydrophobicContact CB-CD 4.36Å; D82-K292 HydrophobicContact CB-CG 4.49Å; D82-K292 WeakPolarHBondContact OD1-CD 3.41Å; D82-K292 WeakPolarHBondContact OD1-CE 3.28Å; D82-K292 IonicContact OD1-NZ 2.73Å; D82-K292 PolarHBondContact OD1-NZ 2.84Å; D82-K292 IonicContact OD2-NZ 2.92Å; R85-K292 PolarHBondContact NE-O 3.1Å; R85-K292 PolarHBondContact NH2-O 3.24Å; M288-K292 VanDerWaalsContact O-CB 3.24Å; M288-K292 WeakPolarHBondContact O-CB 3.3Å; M288-K292 PolarHBondContact O-N 3.39Å; S289-K292 PolarHBondContact O-N 2.87Å; K292-Y356 WeakPolarHBondContact CD-OH 3.33Å; K292-L360 HydrophobicContact CB-CD2 4.25Å; K292-L360 HydrophobicContact CG-CD2 3.98Å; K292-R364 PolarHBondContact O-NH2 3.48Å
293	N	98.2	Very high	98.2	Very high	96 Å²	96	24.7 Å²	24.7	51%	0.513	14%	0.136	S	C	.	.	H	α-helix	trans	-87.4	-10.3	-175.6	-61.2	-20.3	0	0	0	113.6	S289 N290 L291	S289-N293 WeakPolarHBondContact O-CB 3.37Å; S289-N293 PolarHBondContact O-N 2.75Å; S289-N293 PolarHBondContact O-ND2 3.4Å; S289-N293 VanDerWaalsContact O-ND2 3.12Å; S289-N293 PolarHBondContact OG-ND2 3.35Å; N290-N293 PolarHBondContact O-N 3.16Å; L291-N293 VanDerWaalsContact C-N 3.27Å; L291-N293 PolarHBondContact O-N 2.95Å
294	M	98.5	Very high	98.1	Very high	6 Å²	6	27.6 Å²	27.6	3%	0.03	15%	0.147	C	C	.	.	S	Bend	trans	-56.8	150.3	165.5	-77.5	-172.4	-175.7	0	0	111.4	R85 L100 Y186 T188 L260 N290 L291 F296	R85-M294 PolarHBondContact NE-O 2.86Å; L100-M294 HydrophobicContact CD1-CE 4.01Å; Y186-M294 WeakPolarHBondContact O-CB 3.36Å; T188-M294 HydrophobicContact CG2-CE 4.37Å; T188-M294 HydrophobicContact CG2-SD 3.61Å; L260-M294 HydrophobicContact CD2-CE 3.45Å; L260-M294 VanDerWaalsContact CD2-CE 3.45Å; L260-M294 HydrophobicContact CD2-SD 4.44Å; N290-M294 WeakPolarHBondContact O-CG 3.19Å; N290-M294 PolarHBondContact O-N 2.91Å; L291-M294 PolarHBondContact O-N 3.34Å; M294-F296 VanDerWaalsContact C-N 3.32Å; M294-F296 PolarHBondContact O-N 3.43Å
295	A	98.3	Very high	98	Very high	11 Å²	11	28.6 Å²	28.6	9%	0.091	15%	0.15	C	C	.	.	S	Bend	trans	-61.8	-43.3	177	0	0	0	0	0	111	R85 V87 Y185 Y186 T313 F314	R85-A295 WeakPolarHBondContact CB-O 3.24Å; R85-A295 WeakPolarHBondContact CD-O 3.36Å; V87-A295 HydrophobicContact CG2-CB 4.19Å; Y185-A295 HydrophobicContact CD1-CB 4.1Å; Y185-A295 HydrophobicContact CG-CB 4.43Å; Y186-A295 PolarHBondContact O-N 3.46Å; Y186-A295 VanDerWaalsContact O-N 3.1Å; A295-T313 WeakPolarHBondContact O-CG2 3.43Å; A295-F314 HydrophobicContact CB-CE1 4.13Å; A295-F314 HydrophobicContact CB-CZ 3.86Å
296	F	98.7	Very high	98	Very high	5 Å²	5	25.4 Å²	25.4	2%	0.022	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	149.7	179.8	166.9	-94.1	0	0	0	110.8	F110 I187 M294 T306 L309 F310 T313 F314	F110-F296 HydrophobicContact CE2-CE1 4.17Å; F110-F296 HydrophobicContact CZ-CD1 4.38Å; F110-F296 AromaticContact CZ-CE1 3.78Å; F110-F296 HydrophobicContact CZ-CE1 3.78Å; I187-F296 WeakPolarHBondContact CA-O 3.26Å; I187-F296 HydrophobicContact CB-CD1 4.26Å; I187-F296 WeakPolarHBondContact CB-O 3.29Å; I187-F296 HydrophobicContact CG2-CB 3.82Å; I187-F296 HydrophobicContact CG2-CD1 4.23Å; M294-F296 VanDerWaalsContact C-N 3.32Å; M294-F296 PolarHBondContact O-N 3.43Å; F296-T306 HydrophobicContact CZ-CG2 4.06Å; F296-T306 WeakPolarHBondContact CZ-O 3.25Å; F296-L309 HydrophobicContact CD2-CB 4.18Å; F296-L309 HydrophobicContact CE2-CB 3.65Å; F296-F310 HydrophobicContact CD1-CB 4.41Å; F296-F310 AromaticContact CD1-CD2 3.77Å; F296-F310 HydrophobicContact CD1-CD2 3.77Å; F296-F310 HydrophobicContact CD2-CB 4.29Å; F296-F310 HydrophobicContact CE1-CB 4.1Å; F296-F310 AromaticContact CE1-CD2 3.95Å; F296-F310 HydrophobicContact CE1-CD2 3.95Å; F296-F310 HydrophobicContact CE2-CB 3.99Å; F296-F310 HydrophobicContact CG-CD2 4.26Å; F296-F310 HydrophobicContact CZ-CB 3.88Å; F296-T313 HydrophobicContact CB-CG2 4.24Å; F296-F314 HydrophobicContact CB-CE2 3.77Å; F296-F314 HydrophobicContact CB-CZ 4.18Å; F296-F314 HydrophobicContact CG-CE2 4.4Å
297	Y	98.9	Very high	98	Very high	3 Å²	3	25.5 Å²	25.5	1%	0.012	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	150.2	160.4	67.8	-95.2	0	0	0	110.8	T188 L190 L291 L299 A357 L360 F361 R364	T188-Y297 VanDerWaalsContact O-CA 3.28Å; T188-Y297 WeakPolarHBondContact O-CA 3.39Å; L190-Y297 HydrophobicContact CD1-CD2 4.44Å; L291-Y297 HydrophobicContact CD1-CD1 3.54Å; L291-Y297 HydrophobicContact CD1-CD2 4.13Å; L291-Y297 HydrophobicContact CD1-CE1 4.08Å; L291-Y297 HydrophobicContact CD1-CG 3.59Å; L291-Y297 HydrophobicContact CD2-CE1 4.3Å; L291-Y297 HydrophobicContact CG-CD1 3.78Å; L291-Y297 HydrophobicContact CG-CE1 3.81Å; L291-Y297 HydrophobicContact CG-CG 4.24Å; Y297-L299 HydrophobicContact CD2-CD2 4.26Å; Y297-L299 HydrophobicContact CE2-CD2 4.13Å; Y297-A357 HydrophobicContact CE2-CB 4.11Å; Y297-A357 PolarHBondContact OH-O 2.93Å; Y297-L360 HydrophobicContact CE1-CD2 4.14Å; Y297-L360 WeakPolarHBondContact OH-CB 3.15Å; Y297-L360 WeakPolarHBondContact OH-CD2 3.21Å; Y297-L360 WeakPolarHBondContact OH-CG 3.5Å; Y297-F361 HydrophobicContact CD2-CD2 4.42Å; Y297-F361 HydrophobicContact CE2-CB 3.91Å; Y297-F361 HydrophobicContact CE2-CD2 4.15Å; Y297-F361 HydrophobicContact CE2-CG 4.47Å; Y297-F361 WeakPolarHBondContact O-CD2 3.47Å; Y297-F361 WeakPolarHBondContact O-CE2 3.36Å; Y297-F361 PolarHBondContact OH-N 3.47Å; Y297-R364 VanDerWaalsContact CE1-NH1 3.31Å
298	G	98.6	Very high	98	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	162.7	178.2	0	0	0	0	0	113.6	T188 M189 L190	T188-G298 PolarHBondContact O-N 2.78Å; M189-G298 WeakPolarHBondContact CA-O 3.38Å; M189-G298 VanDerWaalsContact SD-CA 3.51Å; L190-G298 PolarHBondContact N-O 3.47Å
299	L	98.6	Very high	97.9	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.8	177.1	-59.5	-173.7	0	0	0	110	L190 Y297 E301 F302 T306 Y354 K358 F361	L190-L299 HydrophobicContact CB-CD2 3.8Å; Y297-L299 HydrophobicContact CD2-CD2 4.26Å; Y297-L299 HydrophobicContact CE2-CD2 4.13Å; L299-E301 PolarHBondContact O-N 2.88Å; L299-F302 HydrophobicContact CB-CD2 3.88Å; L299-F302 HydrophobicContact CD1-CD2 3.83Å; L299-F302 HydrophobicContact CD1-CE2 4.13Å; L299-F302 HydrophobicContact CG-CD2 4.48Å; L299-F302 PolarHBondContact O-N 2.92Å; L299-F302 VanDerWaalsContact O-N 3.13Å; L299-T306 PolarHBondContact N-OG1 2.05Å; L299-T306 VanDerWaalsContact N-OG1 3.09Å; L299-T306 PolarHBondContact O-OG1 2.94Å; L299-Y354 HydrophobicContact CD2-CE2 4.13Å; L299-K358 HydrophobicContact CD1-CB 4.3Å; L299-K358 HydrophobicContact CD1-CG 4.4Å; L299-F361 HydrophobicContact CB-CE1 4.44Å; L299-F361 HydrophobicContact CD1-CB 3.75Å; L299-F361 HydrophobicContact CD1-CD1 3.52Å; L299-F361 HydrophobicContact CD1-CD2 4.34Å; L299-F361 HydrophobicContact CD1-CE1 4.16Å; L299-F361 HydrophobicContact CD1-CG 3.62Å; L299-F361 HydrophobicContact CG-CB 4.2Å; L299-F361 HydrophobicContact CG-CD1 3.93Å; L299-F361 HydrophobicContact CG-CD2 3.98Å; L299-F361 HydrophobicContact CG-CE1 4.26Å; L299-F361 HydrophobicContact CG-CE2 4.32Å; L299-F361 HydrophobicContact CG-CG 3.77Å; L299-F361 HydrophobicContact CG-CZ 4.43Å
300	T	97.6	Very high	97.9	Very high	19 Å²	19	22.5 Å²	22.5	12%	0.117	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-33.1	-175.5	-59.1	0	0	0	0	112.3	T105 L190 R191 F302 Q303 Q324	T105-T300 VanDerWaalsContact C-OG1 3.27Å; T105-T300 PolarHBondContact O-OG1 2.91Å; L190-T300 PolarHBondContact O-N 3.42Å; L190-T300 PolarHBondContact O-OG1 3.26Å; R191-T300 HydrophobicContact CG-CG2 4.22Å; T300-F302 VanDerWaalsContact C-N 3.3Å; T300-F302 PolarHBondContact O-N 2.99Å; T300-Q303 PolarHBondContact O-NE2 2.95Å; T300-Q324 PolarHBondContact O-NE2 3.41Å
301	E	95.3	Very high	97.9	Very high	49 Å²	49	22 Å²	22	23%	0.229	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-14.2	-177.1	-63.9	70.1	-160.3	0	0	113.3	R191 D192 L299 Q324 Y354	R191-E301 WeakPolarHBondContact CG-OE1 3.41Å; D192-E301 WeakPolarHBondContact CB-OE1 3.09Å; D192-E301 PolarHBondContact N-OE1 3.25Å; L299-E301 PolarHBondContact O-N 2.88Å; E301-Q324 PolarHBondContact O-OE1 3.43Å; E301-Y354 PolarHBondContact OE2-OH 3.37Å
302	F	96.8	Very high	97.8	Very high	56 Å²	56	24.8 Å²	24.8	25%	0.246	11%	0.114	C	C	.	.			trans	-134.6	61	-170.2	-59.4	-69.1	0	0	0	111.7	L299 T300 R304 K305 T306 K358 F361 L362	L299-F302 HydrophobicContact CB-CD2 3.88Å; L299-F302 HydrophobicContact CD1-CD2 3.83Å; L299-F302 HydrophobicContact CD1-CE2 4.13Å; L299-F302 HydrophobicContact CG-CD2 4.48Å; L299-F302 PolarHBondContact O-N 2.92Å; L299-F302 VanDerWaalsContact O-N 3.13Å; T300-F302 VanDerWaalsContact C-N 3.3Å; T300-F302 PolarHBondContact O-N 2.99Å; F302-R304 PolarHBondContact O-N 3.14Å; F302-K305 HydrophobicContact CB-CB 4.23Å; F302-K305 HydrophobicContact CD1-CD 4.48Å; F302-K305 PolarHBondContact O-N 2.65Å; F302-T306 VanDerWaalsContact O-CB 3.22Å; F302-T306 WeakPolarHBondContact O-CB 3.09Å; F302-T306 PolarHBondContact O-N 3.36Å; F302-T306 PolarHBondContact O-OG1 2.63Å; F302-K358 HydrophobicContact CE2-CG 4.43Å; F302-F361 HydrophobicContact CB-CE1 3.89Å; F302-F361 HydrophobicContact CB-CZ 4.36Å; F302-F361 HydrophobicContact CD2-CE1 4.25Å; F302-F361 HydrophobicContact CG-CE1 4.32Å; F302-L362 HydrophobicContact CZ-CD2 4.43Å
303	Q	96.1	Very high	97.8	Very high	15 Å²	15	22.7 Å²	22.7	7%	0.07	11%	0.105	C	C	.	.	H	α-helix	trans	-59.2	-45.6	-173	-69.8	-57.3	-51.6	0	0	113.9	T300 T306 Q307 F322 Q324	T300-Q303 PolarHBondContact O-NE2 2.95Å; Q303-T306 WeakPolarHBondContact O-CB 3.11Å; Q303-T306 PolarHBondContact O-N 3.44Å; Q303-Q307 PolarHBondContact O-N 3.12Å; Q303-F322 HydrophobicContact CB-CB 4.05Å; Q303-F322 WeakPolarHBondContact O-CD2 3.21Å; Q303-Q324 VanDerWaalsContact CB-OE1 3.29Å
304	R	96.3	Very high	97.8	Very high	66 Å²	66	18.2 Å²	18.2	25%	0.249	8%	0.081	C	C	.	.	H	α-helix	trans	-66.3	-40.6	177.9	-68.6	-69.2	-76.2	167	-24.3	113	D61 L64 F302 T306 Q307 Y308 A321 F322	D61-R304 IonicContact OD1-CZ 3.88Å; D61-R304 IonicContact OD1-NE 3.24Å; D61-R304 PolarHBondContact OD1-NE 3.21Å; D61-R304 IonicContact OD1-NH2 3.71Å; D61-R304 PolarHBondContact OD1-NH2 2.95Å; D61-R304 IonicContact OD2-CZ 3.15Å; D61-R304 IonicContact OD2-NE 2.77Å; D61-R304 PolarHBondContact OD2-NE 3.05Å; D61-R304 IonicContact OD2-NH2 3.26Å; D61-R304 PolarHBondContact OD2-NH2 2.68Å; L64-R304 HydrophobicContact CD2-CB 4.14Å; F302-R304 PolarHBondContact O-N 3.14Å; R304-T306 VanDerWaalsContact C-N 3.34Å; R304-Q307 WeakPolarHBondContact O-CB 3.3Å; R304-Q307 PolarHBondContact O-N 2.94Å; R304-Y308 WeakPolarHBondContact O-CB 3.38Å; R304-Y308 PolarHBondContact O-N 2.89Å; R304-A321 VanDerWaalsContact NH1-CB 3.29Å; R304-F322 VanDerWaalsContact CD-O 3.23Å; R304-F322 WeakPolarHBondContact CD-O 3.42Å
305	K	97.5	Very high	97.7	Very high	38 Å²	38	25.1 Å²	25.1	17%	0.165	11%	0.107	C	C	.	.	H	α-helix	trans	-68.9	-33.8	176.1	-63	179.2	163.1	60.3	0	111.8	L64 F302 Y308 L309 F361 L362 F365	L64-K305 HydrophobicContact CD2-CG 3.65Å; F302-K305 HydrophobicContact CB-CB 4.23Å; F302-K305 HydrophobicContact CD1-CD 4.48Å; F302-K305 PolarHBondContact O-N 2.65Å; K305-Y308 PolarHBondContact O-N 3.05Å; K305-L309 PolarHBondContact O-N 3Å; K305-F361 HydrophobicContact CB-CE1 3.99Å; K305-F361 HydrophobicContact CB-CZ 4.09Å; K305-L362 HydrophobicContact CD-CD2 4.48Å; K305-F365 HydrophobicContact CB-CD2 3.85Å; K305-F365 HydrophobicContact CB-CE2 4.13Å; K305-F365 HydrophobicContact CB-CG 4.35Å; K305-F365 HydrophobicContact CD-CD1 4.07Å; K305-F365 HydrophobicContact CD-CD2 4.31Å; K305-F365 HydrophobicContact CD-CE1 4.12Å; K305-F365 HydrophobicContact CD-CE2 4.35Å; K305-F365 HydrophobicContact CD-CG 4.19Å; K305-F365 HydrophobicContact CD-CZ 4.26Å; K305-F365 VanDerWaalsContact CE-CE1 3.49Å; K305-F365 HydrophobicContact CG-CD1 4.44Å; K305-F365 HydrophobicContact CG-CD2 3.83Å; K305-F365 HydrophobicContact CG-CE1 4.33Å; K305-F365 HydrophobicContact CG-CE2 3.7Å; K305-F365 HydrophobicContact CG-CG 4.22Å; K305-F365 HydrophobicContact CG-CZ 3.97Å
306	T	98.3	Very high	97.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.3	-45.2	171.7	-71.8	0	0	0	0	111.1	F110 M189 F296 L299 F302 Q303 R304 F310 F322 F361	F110-T306 HydrophobicContact CD2-CG2 4.34Å; F110-T306 HydrophobicContact CE2-CG2 4.25Å; M189-T306 HydrophobicContact CE-CG2 4.15Å; M189-T306 HydrophobicContact SD-CG2 3.92Å; F296-T306 HydrophobicContact CZ-CG2 4.06Å; F296-T306 WeakPolarHBondContact CZ-O 3.25Å; L299-T306 PolarHBondContact N-OG1 2.05Å; L299-T306 VanDerWaalsContact N-OG1 3.09Å; L299-T306 PolarHBondContact O-OG1 2.94Å; F302-T306 VanDerWaalsContact O-CB 3.22Å; F302-T306 WeakPolarHBondContact O-CB 3.09Å; F302-T306 PolarHBondContact O-N 3.36Å; F302-T306 PolarHBondContact O-OG1 2.63Å; Q303-T306 WeakPolarHBondContact O-CB 3.11Å; Q303-T306 PolarHBondContact O-N 3.44Å; R304-T306 VanDerWaalsContact C-N 3.34Å; T306-F310 WeakPolarHBondContact O-CB 3.2Å; T306-F310 PolarHBondContact O-N 2.83Å; T306-F322 HydrophobicContact CG2-CD2 4.48Å; T306-F322 HydrophobicContact CG2-CE2 4.16Å; T306-F361 WeakPolarHBondContact OG1-CZ 3.45Å
307	Q	98.3	Very high	97.6	Very high	13 Å²	13	31.1 Å²	31.1	6%	0.061	13%	0.129	C	C	.	.	H	α-helix	trans	-59.3	-54.4	172.2	-170.8	-166.4	-26.3	0	0	110.9	Q303 R304 L309 F310 E311 F318 F322	Q303-Q307 PolarHBondContact O-N 3.12Å; R304-Q307 WeakPolarHBondContact O-CB 3.3Å; R304-Q307 PolarHBondContact O-N 2.94Å; Q307-L309 PolarHBondContact O-N 2.87Å; Q307-F310 PolarHBondContact O-N 3.15Å; Q307-E311 PolarHBondContact NE2-OE1 3.1Å; Q307-E311 WeakPolarHBondContact O-CG 3.48Å; Q307-E311 PolarHBondContact O-N 2.86Å; Q307-F318 HydrophobicContact CG-CB 4.4Å; Q307-F318 HydrophobicContact CG-CD2 3.43Å; Q307-F318 VanDerWaalsContact CG-CD2 3.43Å; Q307-F318 HydrophobicContact CG-CE2 4.01Å; Q307-F318 HydrophobicContact CG-CG 4.21Å; Q307-F322 HydrophobicContact CB-CB 4.23Å; Q307-F322 HydrophobicContact CB-CD1 4.02Å; Q307-F322 HydrophobicContact CB-CD2 3.88Å; Q307-F322 HydrophobicContact CB-CE1 4.31Å; Q307-F322 HydrophobicContact CB-CE2 4.17Å; Q307-F322 HydrophobicContact CB-CG 3.79Å; Q307-F322 HydrophobicContact CB-CZ 4.39Å; Q307-F322 HydrophobicContact CG-CD1 3.82Å; Q307-F322 HydrophobicContact CG-CE1 3.95Å; Q307-F322 HydrophobicContact CG-CG 4.13Å; Q307-F322 HydrophobicContact CG-CZ 4.37Å
308	Y	98.1	Very high	97.5	Very high	15 Å²	15	31.6 Å²	31.6	6%	0.059	13%	0.131	C	C	.	.	H	α-helix	trans	-52.3	-50.5	-177.5	172.7	-84	0	0	0	112.4	L64 R304 K305 E311 R312 F365 T368 R369 E372	L64-Y308 HydrophobicContact CD1-CD2 4.2Å; R304-Y308 WeakPolarHBondContact O-CB 3.38Å; R304-Y308 PolarHBondContact O-N 2.89Å; K305-Y308 PolarHBondContact O-N 3.05Å; Y308-E311 PolarHBondContact O-N 3.32Å; Y308-R312 VanDerWaalsContact CD2-NH1 3.25Å; Y308-R312 VanDerWaalsContact CE2-NE 3.3Å; Y308-R312 WeakPolarHBondContact O-CD 3.38Å; Y308-R312 PolarHBondContact O-N 2.83Å; Y308-F365 AromaticContact CD1-CD2 3.51Å; Y308-F365 HydrophobicContact CD1-CD2 3.51Å; Y308-F365 AromaticContact CD1-CE2 3.54Å; Y308-F365 HydrophobicContact CD1-CE2 3.54Å; Y308-F365 HydrophobicContact CD2-CE2 4.36Å; Y308-F365 AromaticContact CE1-CD2 3.94Å; Y308-F365 HydrophobicContact CE1-CD2 3.94Å; Y308-F365 AromaticContact CE1-CE2 3.97Å; Y308-F365 HydrophobicContact CE1-CE2 3.97Å; Y308-F365 HydrophobicContact CG-CD2 4.18Å; Y308-F365 AromaticContact CG-CE2 3.79Å; Y308-F365 HydrophobicContact CG-CE2 3.79Å; Y308-T368 HydrophobicContact CE1-CG2 3.95Å; Y308-R369 VanDerWaalsContact OH-CA 3.24Å; Y308-R369 WeakPolarHBondContact OH-CA 3.09Å; Y308-R369 PolarHBondContact OH-N 3.43Å; Y308-E372 WeakPolarHBondContact CE2-OE2 3.46Å; Y308-E372 PolarHBondContact OH-OE2 3.15Å
309	L	98.4	Very high	97.4	Very high	8 Å²	8	36.4 Å²	36.4	4%	0.042	16%	0.156	C	C	.	.	H	α-helix	trans	-67.8	-41	-178.8	-83.3	176.4	0	0	0	112.3	F296 K305 Q307 E311 R312 T313 F361 R364 F365	F296-L309 HydrophobicContact CD2-CB 4.18Å; F296-L309 HydrophobicContact CE2-CB 3.65Å; K305-L309 PolarHBondContact O-N 3Å; Q307-L309 PolarHBondContact O-N 2.87Å; L309-E311 VanDerWaalsContact C-N 3.3Å; L309-E311 PolarHBondContact O-N 3.41Å; L309-R312 PolarHBondContact O-N 2.8Å; L309-T313 WeakPolarHBondContact O-CB 3.41Å; L309-T313 PolarHBondContact O-N 2.87Å; L309-T313 PolarHBondContact O-OG1 2.97Å; L309-T313 VanDerWaalsContact O-OG1 3.05Å; L309-F361 HydrophobicContact CD1-CD2 3.97Å; L309-F361 HydrophobicContact CD1-CE2 3.78Å; L309-F361 HydrophobicContact CD1-CZ 4.2Å; L309-R364 HydrophobicContact CD1-CB 4.08Å; L309-R364 HydrophobicContact CD2-CB 4.34Å; L309-F365 HydrophobicContact CD1-CB 4.08Å; L309-F365 HydrophobicContact CG-CB 4.38Å
310	F	98.6	Very high	97.3	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	18%	0.179	C	C	.	.	H	α-helix	trans	-58.9	-43.4	175.7	-179.2	-81.9	0	0	0	111.6	I97 F110 L114 I118 I187 F296 T306 Q307 T313 F314 L316 F318	I97-F310 HydrophobicContact CD1-CZ 4.41Å; F110-F310 HydrophobicContact CE2-CD2 4.45Å; F110-F310 AromaticContact CZ-CD2 3.96Å; F110-F310 HydrophobicContact CZ-CD2 3.96Å; F110-F310 HydrophobicContact CZ-CE2 4.24Å; L114-F310 HydrophobicContact CD2-CE1 4.45Å; L114-F310 HydrophobicContact CD2-CE2 3.64Å; L114-F310 HydrophobicContact CD2-CZ 3.6Å; I118-F310 HydrophobicContact CD1-CE1 3.96Å; I118-F310 HydrophobicContact CD1-CZ 4.05Å; I187-F310 HydrophobicContact CD1-CE2 3.95Å; F296-F310 HydrophobicContact CD1-CB 4.41Å; F296-F310 AromaticContact CD1-CD2 3.77Å; F296-F310 HydrophobicContact CD1-CD2 3.77Å; F296-F310 HydrophobicContact CD2-CB 4.29Å; F296-F310 HydrophobicContact CE1-CB 4.1Å; F296-F310 AromaticContact CE1-CD2 3.95Å; F296-F310 HydrophobicContact CE1-CD2 3.95Å; F296-F310 HydrophobicContact CE2-CB 3.99Å; F296-F310 HydrophobicContact CG-CD2 4.26Å; F296-F310 HydrophobicContact CZ-CB 3.88Å; T306-F310 WeakPolarHBondContact O-CB 3.2Å; T306-F310 PolarHBondContact O-N 2.83Å; Q307-F310 PolarHBondContact O-N 3.15Å; F310-T313 PolarHBondContact O-N 3.32Å; F310-F314 HydrophobicContact CD1-CD2 4.28Å; F310-F314 AromaticContact CD2-CD2 3.77Å; F310-F314 HydrophobicContact CD2-CD2 3.77Å; F310-F314 AromaticContact CD2-CE2 3.75Å; F310-F314 HydrophobicContact CD2-CE2 3.75Å; F310-F314 HydrophobicContact CE1-CD2 4.15Å; F310-F314 AromaticContact CE2-CD2 3.61Å; F310-F314 HydrophobicContact CE2-CD2 3.61Å; F310-F314 AromaticContact CE2-CE2 3.59Å; F310-F314 HydrophobicContact CE2-CE2 3.59Å; F310-F314 HydrophobicContact CG-CD2 4.11Å; F310-F314 HydrophobicContact CG-CE2 4.49Å; F310-F314 AromaticContact CZ-CD2 3.81Å; F310-F314 HydrophobicContact CZ-CD2 3.81Å; F310-F314 HydrophobicContact CZ-CE2 4.22Å; F310-F314 PolarHBondContact O-N 2.83Å; F310-L316 HydrophobicContact CE1-CB 4.32Å; F310-L316 HydrophobicContact CE1-CD1 3.97Å; F310-L316 HydrophobicContact CZ-CD1 4.27Å; F310-F318 HydrophobicContact CB-CE2 4.15Å; F310-F318 HydrophobicContact CD1-CD2 4.45Å; F310-F318 AromaticContact CD1-CE2 3.32Å; F310-F318 HydrophobicContact CD1-CE2 3.32Å; F310-F318 AromaticContact CD1-CZ 3.39Å; F310-F318 HydrophobicContact CD1-CZ 3.39Å; F310-F318 HydrophobicContact CE1-CE1 4.48Å; F310-F318 AromaticContact CE1-CE2 3.96Å; F310-F318 HydrophobicContact CE1-CE2 3.96Å; F310-F318 AromaticContact CE1-CZ 3.61Å; F310-F318 HydrophobicContact CE1-CZ 3.61Å; F310-F318 AromaticContact CG-CE2 3.94Å; F310-F318 HydrophobicContact CG-CE2 3.94Å; F310-F318 AromaticContact CG-CZ 3.99Å; F310-F318 HydrophobicContact CG-CZ 3.99Å; F310-F318 HydrophobicContact CZ-CZ 4.36Å
311	E	98	Very high	97.3	Very high	14 Å²	14	41.3 Å²	41.3	7%	0.065	19%	0.194	C	C	.	.	H	α-helix	trans	-60.2	-46.4	178.1	-70.6	-174.9	179.1	0	0	112.1	Q307 Y308 L309 R315 L316 R317 F318	Q307-E311 PolarHBondContact NE2-OE1 3.1Å; Q307-E311 WeakPolarHBondContact O-CG 3.48Å; Q307-E311 PolarHBondContact O-N 2.86Å; Y308-E311 PolarHBondContact O-N 3.32Å; L309-E311 VanDerWaalsContact C-N 3.3Å; L309-E311 PolarHBondContact O-N 3.41Å; E311-R315 VanDerWaalsContact O-CA 3.31Å; E311-R315 WeakPolarHBondContact O-CA 3.41Å; E311-R315 PolarHBondContact O-N 2.99Å; E311-L316 WeakPolarHBondContact CA-O 3.32Å; E311-L316 WeakPolarHBondContact CB-O 3.33Å; E311-L316 WeakPolarHBondContact CG-O 3.39Å; E311-L316 PolarHBondContact O-N 3.24Å; E311-R317 VanDerWaalsContact OE2-CD 3.28Å; E311-R317 WeakPolarHBondContact OE2-CD 3.3Å; E311-R317 IonicContact OE2-CZ 2.68Å; E311-R317 IonicContact OE2-NE 3.58Å; E311-R317 IonicContact OE2-NH1 3.89Å; E311-R317 PolarHBondContact OE2-NH1 3.45Å; E311-F318 HydrophobicContact CG-CD2 3.8Å; E311-F318 HydrophobicContact CG-CE2 4.22Å; E311-F318 PolarHBondContact OE1-N 2.81Å
312	R	97.2	Very high	97.3	Very high	57 Å²	57	39.1 Å²	39.1	22%	0.215	18%	0.183	C	C	.	.	H	α-helix	trans	-72.8	-32	179.6	-82.3	78.7	-177.4	164.3	-1.1	112.9	H86 Y308 L309 R317 T368 E372	H86-R312 PolarHBondContact ND1-O 3.46Å; Y308-R312 VanDerWaalsContact CD2-NH1 3.25Å; Y308-R312 VanDerWaalsContact CE2-NE 3.3Å; Y308-R312 WeakPolarHBondContact O-CD 3.38Å; Y308-R312 PolarHBondContact O-N 2.83Å; L309-R312 PolarHBondContact O-N 2.8Å; R312-R317 VanDerWaalsContact NH1-NH1 3.18Å; R312-T368 HydrophobicContact CB-CG2 3.79Å; R312-T368 HydrophobicContact CG-CG2 3.77Å; R312-E372 IonicContact CZ-OE1 2.78Å; R312-E372 IonicContact CZ-OE2 4Å; R312-E372 IonicContact NE-OE1 3.6Å; R312-E372 PolarHBondContact NE-OE1 2.96Å; R312-E372 IonicContact NE-OE2 2.75Å; R312-E372 PolarHBondContact NE-OE2 3.02Å; R312-E372 IonicContact NH2-OE1 3.99Å; R312-E372 PolarHBondContact NH2-OE1 2.88Å; R312-E372 IonicContact NH2-OE2 3.8Å; R312-E372 PolarHBondContact NH2-OE2 2.78Å
313	T	98	Very high	97.2	Very high	4 Å²	4	41.1 Å²	41.1	3%	0.025	20%	0.2	C	C	.	.	H	α-helix	trans	-65.5	-48.6	177.3	-65.2	0	0	0	0	112	R85 V87 A295 F296 L309 F310	R85-T313 HydrophobicContact CB-CG2 4.42Å; R85-T313 VanDerWaalsContact O-CA 3.29Å; R85-T313 WeakPolarHBondContact O-CA 3.28Å; R85-T313 WeakPolarHBondContact O-CB 3.36Å; R85-T313 PolarHBondContact O-OG1 3.08Å; V87-T313 HydrophobicContact CB-CG2 4.42Å; V87-T313 WeakPolarHBondContact CB-O 3.49Å; V87-T313 HydrophobicContact CG2-CG2 3.87Å; V87-T313 PolarHBondContact N-O 2.82Å; A295-T313 WeakPolarHBondContact O-CG2 3.43Å; F296-T313 HydrophobicContact CB-CG2 4.24Å; L309-T313 WeakPolarHBondContact O-CB 3.41Å; L309-T313 PolarHBondContact O-N 2.87Å; L309-T313 PolarHBondContact O-OG1 2.97Å; L309-T313 VanDerWaalsContact O-OG1 3.05Å; F310-T313 PolarHBondContact O-N 3.32Å
314	F	98.1	Very high	97	Very high	2 Å²	2	44 Å²	44	1%	0.009	21%	0.214	C	C	.	.	H	α-helix	trans	-100.9	4	-172.7	-62.9	-71.4	0	0	0	114.7	V87 F89 I97 Y185 I187 A295 F296 F310 L316	V87-F314 HydrophobicContact CB-CD1 4.05Å; V87-F314 HydrophobicContact CB-CE1 4.27Å; V87-F314 HydrophobicContact CG1-CD1 4.14Å; V87-F314 HydrophobicContact CG1-CE1 4.27Å; V87-F314 HydrophobicContact CG2-CD1 4.47Å; V87-F314 HydrophobicContact CG2-CE1 4.25Å; F89-F314 HydrophobicContact CB-CB 4.34Å; F89-F314 HydrophobicContact CB-CD1 4.05Å; F89-F314 HydrophobicContact CG-CD1 4.27Å; I97-F314 HydrophobicContact CD1-CD1 4.13Å; I97-F314 HydrophobicContact CD1-CE1 4.19Å; I97-F314 HydrophobicContact CD1-CG 4.32Å; I97-F314 HydrophobicContact CD1-CZ 4.43Å; I97-F314 HydrophobicContact CG1-CD1 4.43Å; I97-F314 HydrophobicContact CG1-CE1 4.07Å; I97-F314 HydrophobicContact CG1-CZ 4.34Å; Y185-F314 HydrophobicContact CG-CE1 4.23Å; I187-F314 HydrophobicContact CG2-CE2 4.01Å; I187-F314 HydrophobicContact CG2-CZ 3.69Å; A295-F314 HydrophobicContact CB-CE1 4.13Å; A295-F314 HydrophobicContact CB-CZ 3.86Å; F296-F314 HydrophobicContact CB-CE2 3.77Å; F296-F314 HydrophobicContact CB-CZ 4.18Å; F296-F314 HydrophobicContact CG-CE2 4.4Å; F310-F314 HydrophobicContact CD1-CD2 4.28Å; F310-F314 AromaticContact CD2-CD2 3.77Å; F310-F314 HydrophobicContact CD2-CD2 3.77Å; F310-F314 AromaticContact CD2-CE2 3.75Å; F310-F314 HydrophobicContact CD2-CE2 3.75Å; F310-F314 HydrophobicContact CE1-CD2 4.15Å; F310-F314 AromaticContact CE2-CD2 3.61Å; F310-F314 HydrophobicContact CE2-CD2 3.61Å; F310-F314 AromaticContact CE2-CE2 3.59Å; F310-F314 HydrophobicContact CE2-CE2 3.59Å; F310-F314 HydrophobicContact CG-CD2 4.11Å; F310-F314 HydrophobicContact CG-CE2 4.49Å; F310-F314 AromaticContact CZ-CD2 3.81Å; F310-F314 HydrophobicContact CZ-CD2 3.81Å; F310-F314 HydrophobicContact CZ-CE2 4.22Å; F310-F314 PolarHBondContact O-N 2.83Å; F314-L316 HydrophobicContact CB-CB 4.38Å; F314-L316 HydrophobicContact CB-CD1 3.84Å; F314-L316 HydrophobicContact CB-CG 3.91Å; F314-L316 PolarHBondContact O-N 3.31Å
315	R	96.5	Very high	96.4	Very high	151 Å²	151	45.9 Å²	45.9	57%	0.57	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	28.4	-168.5	-58.9	-175.7	-178.8	151.3	4.7	113.6	H86 E88 E311	H86-R315 PolarHBondContact CE1-NE 2.93Å; H86-R315 VanDerWaalsContact CE1-NE 3.34Å; H86-R315 VanDerWaalsContact NE2-CZ 3.26Å; H86-R315 PolarHBondContact NE2-NE 3.41Å; H86-R315 PolarHBondContact NE2-NH2 3.23Å; E88-R315 IonicContact OE1-CZ 2.69Å; E88-R315 IonicContact OE1-NH1 3.25Å; E88-R315 PolarHBondContact OE1-NH1 3.18Å; E88-R315 IonicContact OE1-NH2 2.71Å; E88-R315 PolarHBondContact OE1-NH2 3.22Å; E311-R315 VanDerWaalsContact O-CA 3.31Å; E311-R315 WeakPolarHBondContact O-CA 3.41Å; E311-R315 PolarHBondContact O-N 2.99Å
316	L	96.6	Very high	95.6	Very high	22 Å²	22	49.3 Å²	49.3	12%	0.115	25%	0.248	C	C	.	.			trans	-98.7	164.8	178.5	-67.2	175	0	0	0	110.9	F89 I118 L120 F310 E311 F314	F89-L316 HydrophobicContact CD1-CD1 4.15Å; F89-L316 HydrophobicContact CD1-CG 4.49Å; F89-L316 HydrophobicContact CE1-CD1 4.27Å; I118-L316 HydrophobicContact CD1-CD1 4.35Å; I118-L316 HydrophobicContact CG2-CB 4.24Å; I118-L316 HydrophobicContact CG2-CD1 4.28Å; I118-L316 HydrophobicContact CG2-CD2 4.27Å; L120-L316 HydrophobicContact CD2-CD2 4.33Å; F310-L316 HydrophobicContact CE1-CB 4.32Å; F310-L316 HydrophobicContact CE1-CD1 3.97Å; F310-L316 HydrophobicContact CZ-CD1 4.27Å; E311-L316 WeakPolarHBondContact CA-O 3.32Å; E311-L316 WeakPolarHBondContact CB-O 3.33Å; E311-L316 WeakPolarHBondContact CG-O 3.39Å; E311-L316 PolarHBondContact O-N 3.24Å; F314-L316 HydrophobicContact CB-CB 4.38Å; F314-L316 HydrophobicContact CB-CD1 3.84Å; F314-L316 HydrophobicContact CB-CG 3.91Å; F314-L316 PolarHBondContact O-N 3.31Å
317	R	97.1	Very high	94.7	Very high	121 Å²	121	54 Å²	54	46%	0.457	28%	0.281	S	S	.	.			trans	-130.7	143.4	172.4	-68.7	-61.8	-168	164.6	5.6	111	R119 E311 R312	R119-R317 PolarHBondContact N-O 2.95Å; E311-R317 VanDerWaalsContact OE2-CD 3.28Å; E311-R317 WeakPolarHBondContact OE2-CD 3.3Å; E311-R317 IonicContact OE2-CZ 2.68Å; E311-R317 IonicContact OE2-NE 3.58Å; E311-R317 IonicContact OE2-NH1 3.89Å; E311-R317 PolarHBondContact OE2-NH1 3.45Å; R312-R317 VanDerWaalsContact NH1-NH1 3.18Å
318	F	97.9	Very high	93.8	Very high	12 Å²	12	55 Å²	55	5%	0.053	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-87.2	152.3	168.2	-67.1	-81.4	0	0	0	111.6	H113 N117 I118 Q307 F310 E311 F322	H113-F318 HydrophobicContact CB-CD1 4.25Å; H113-F318 HydrophobicContact CB-CE1 3.87Å; N117-F318 HydrophobicContact CB-CD1 4.04Å; N117-F318 CarbonylContact O-C 3.48Å; N117-F318 WeakPolarHBondContact O-CA 3.39Å; N117-F318 WeakPolarHBondContact O-CD1 3.49Å; I118-F318 HydrophobicContact CD1-CE1 4.14Å; I118-F318 HydrophobicContact CG1-CD1 3.76Å; I118-F318 HydrophobicContact CG1-CE1 3.44Å; I118-F318 VanDerWaalsContact CG1-CE1 3.44Å; I118-F318 HydrophobicContact CG1-CZ 4.22Å; Q307-F318 HydrophobicContact CG-CB 4.4Å; Q307-F318 HydrophobicContact CG-CD2 3.43Å; Q307-F318 VanDerWaalsContact CG-CD2 3.43Å; Q307-F318 HydrophobicContact CG-CE2 4.01Å; Q307-F318 HydrophobicContact CG-CG 4.21Å; F310-F318 HydrophobicContact CB-CE2 4.15Å; F310-F318 HydrophobicContact CD1-CD2 4.45Å; F310-F318 AromaticContact CD1-CE2 3.32Å; F310-F318 HydrophobicContact CD1-CE2 3.32Å; F310-F318 AromaticContact CD1-CZ 3.39Å; F310-F318 HydrophobicContact CD1-CZ 3.39Å; F310-F318 HydrophobicContact CE1-CE1 4.48Å; F310-F318 AromaticContact CE1-CE2 3.96Å; F310-F318 HydrophobicContact CE1-CE2 3.96Å; F310-F318 AromaticContact CE1-CZ 3.61Å; F310-F318 HydrophobicContact CE1-CZ 3.61Å; F310-F318 AromaticContact CG-CE2 3.94Å; F310-F318 HydrophobicContact CG-CE2 3.94Å; F310-F318 AromaticContact CG-CZ 3.99Å; F310-F318 HydrophobicContact CG-CZ 3.99Å; F310-F318 HydrophobicContact CZ-CZ 4.36Å; E311-F318 HydrophobicContact CG-CD2 3.8Å; E311-F318 HydrophobicContact CG-CE2 4.22Å; E311-F318 PolarHBondContact OE1-N 2.81Å; F318-F322 HydrophobicContact CB-CE1 4.36Å; F318-F322 AromaticContact CD1-CE1 3.64Å; F318-F322 HydrophobicContact CD1-CE1 3.64Å; F318-F322 HydrophobicContact CD1-CZ 4.15Å; F318-F322 AromaticContact CD2-CE1 3.76Å; F318-F322 HydrophobicContact CD2-CE1 3.76Å; F318-F322 HydrophobicContact CD2-CZ 4.09Å; F318-F322 AromaticContact CE1-CE1 3.73Å; F318-F322 HydrophobicContact CE1-CE1 3.73Å; F318-F322 AromaticContact CE1-CZ 3.75Å; F318-F322 HydrophobicContact CE1-CZ 3.75Å; F318-F322 AromaticContact CE2-CE1 3.83Å; F318-F322 HydrophobicContact CE2-CE1 3.83Å; F318-F322 AromaticContact CE2-CZ 3.66Å; F318-F322 HydrophobicContact CE2-CZ 3.66Å; F318-F322 AromaticContact CG-CE1 3.65Å; F318-F322 HydrophobicContact CG-CE1 3.65Å; F318-F322 HydrophobicContact CG-CZ 4.3Å; F318-F322 AromaticContact CZ-CE1 3.83Å; F318-F322 HydrophobicContact CZ-CE1 3.83Å; F318-F322 AromaticContact CZ-CZ 3.49Å; F318-F322 HydrophobicContact CZ-CZ 3.49Å; F318-F322 VanDerWaalsContact CZ-CZ 3.49Å
319	I	97.2	Very high	92.9	Very high	101 Å²	101	61.9 Å²	61.9	52%	0.518	31%	0.314	S	S	.	.	S	Bend	trans	-79.2	-47.1	-178.6	-59.3	167.5	0	0	0	110	N117 R119	N117-I319 PolarHBondContact O-N 3.38Å; R119-I319 HydrophobicContact CB-CG1 4.03Å
320	S	96.5	Very high	92	Very high	71 Å²	71	61.8 Å²	61.8	50%	0.497	31%	0.314	S	S	.	.	S	Bend	trans	-115.8	144.7	175.7	-55.6	0	0	0	0	111.5	N117	N117-S320 PolarHBondContact ND2-O 2.81Å; N117-S320 WeakPolarHBondContact OD1-CB 3.46Å; N117-S320 PolarHBondContact OD1-N 3.35Å
321	A	96.4	Very high	91	Very high	51 Å²	51	64.9 Å²	64.9	42%	0.421	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-56.6	142.8	174.7	0	0	0	0	0	112.5	R304	R304-A321 VanDerWaalsContact NH1-CB 3.29Å
322	F	96.3	Very high	90.2	Very high	3 Å²	3	70.2 Å²	70.2	1%	0.013	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-75	129.3	170.4	-73.4	22.8	0	0	0	110.1	F110 H113 Q303 R304 T306 Q307 F318	F110-F322 AromaticContact CD2-CE2 3.87Å; F110-F322 HydrophobicContact CD2-CE2 3.87Å; F110-F322 HydrophobicContact CD2-CZ 4.25Å; F110-F322 HydrophobicContact CE2-CE2 4.15Å; F110-F322 HydrophobicContact CE2-CZ 4.35Å; H113-F322 HydrophobicContact CB-CE1 3.63Å; H113-F322 HydrophobicContact CB-CZ 3.67Å; H113-F322 AromaticContact CD2-CE1 3.9Å; H113-F322 AromaticContact CD2-CZ 3.96Å; H113-F322 AromaticContact CE1-CD1 3.79Å; H113-F322 AromaticContact CG-CD1 3.94Å; H113-F322 AromaticContact CG-CE1 3.45Å; H113-F322 VanDerWaalsContact CG-CE1 3.45Å; H113-F322 AromaticContact CG-CZ 3.76Å; H113-F322 AromaticContact ND1-CD1 3.71Å; H113-F322 AromaticContact ND1-CE1 3.59Å; Q303-F322 HydrophobicContact CB-CB 4.05Å; Q303-F322 WeakPolarHBondContact O-CD2 3.21Å; R304-F322 VanDerWaalsContact CD-O 3.23Å; R304-F322 WeakPolarHBondContact CD-O 3.42Å; T306-F322 HydrophobicContact CG2-CD2 4.48Å; T306-F322 HydrophobicContact CG2-CE2 4.16Å; Q307-F322 HydrophobicContact CB-CB 4.23Å; Q307-F322 HydrophobicContact CB-CD1 4.02Å; Q307-F322 HydrophobicContact CB-CD2 3.88Å; Q307-F322 HydrophobicContact CB-CE1 4.31Å; Q307-F322 HydrophobicContact CB-CE2 4.17Å; Q307-F322 HydrophobicContact CB-CG 3.79Å; Q307-F322 HydrophobicContact CB-CZ 4.39Å; Q307-F322 HydrophobicContact CG-CD1 3.82Å; Q307-F322 HydrophobicContact CG-CE1 3.95Å; Q307-F322 HydrophobicContact CG-CG 4.13Å; Q307-F322 HydrophobicContact CG-CZ 4.37Å; F318-F322 HydrophobicContact CB-CE1 4.36Å; F318-F322 AromaticContact CD1-CE1 3.64Å; F318-F322 HydrophobicContact CD1-CE1 3.64Å; F318-F322 HydrophobicContact CD1-CZ 4.15Å; F318-F322 AromaticContact CD2-CE1 3.76Å; F318-F322 HydrophobicContact CD2-CE1 3.76Å; F318-F322 HydrophobicContact CD2-CZ 4.09Å; F318-F322 AromaticContact CE1-CE1 3.73Å; F318-F322 HydrophobicContact CE1-CE1 3.73Å; F318-F322 AromaticContact CE1-CZ 3.75Å; F318-F322 HydrophobicContact CE1-CZ 3.75Å; F318-F322 AromaticContact CE2-CE1 3.83Å; F318-F322 HydrophobicContact CE2-CE1 3.83Å; F318-F322 AromaticContact CE2-CZ 3.66Å; F318-F322 HydrophobicContact CE2-CZ 3.66Å; F318-F322 AromaticContact CG-CE1 3.65Å; F318-F322 HydrophobicContact CG-CE1 3.65Å; F318-F322 HydrophobicContact CG-CZ 4.3Å; F318-F322 AromaticContact CZ-CE1 3.83Å; F318-F322 HydrophobicContact CZ-CE1 3.83Å; F318-F322 AromaticContact CZ-CZ 3.49Å; F318-F322 HydrophobicContact CZ-CZ 3.49Å; F318-F322 VanDerWaalsContact CZ-CZ 3.49Å
323	T	92.9	Very high	89.6	Confident	98 Å²	98	68.7 Å²	68.7	60%	0.601	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-96.8	133.3	-179.2	51.6	0	0	0	0	112
324	Q	92.4	Very high	89	Confident	75 Å²	75	76.1 Å²	76.1	35%	0.35	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-80	121.3	175.6	-169.9	63.4	44.9	0	0	109.9	T300 E301 Q303 N326	T300-Q324 PolarHBondContact O-NE2 3.41Å; E301-Q324 PolarHBondContact O-OE1 3.43Å; Q303-Q324 VanDerWaalsContact CB-OE1 3.29Å; Q324-N326 WeakPolarHBondContact CG-OD1 3.29Å; Q324-N326 PolarHBondContact NE2-OD1 3.2Å
325	I	85.1	Confident	88.5	Confident	106 Å²	106	78 Å²	78	54%	0.544	42%	0.415	S	S	.	.			trans	-122.3	92.1	-179.2	-55.2	178.1	0	0	0	109.2	T328	I325-T328 VanDerWaalsContact O-CG2 3.28Å; I325-T328 WeakPolarHBondContact O-CG2 3.49Å
326	N	80.6	Confident	88.4	Confident	110 Å²	110	74.2 Å²	74.2	59%	0.588	41%	0.412	S	S	*	.			trans	-84.2	-19.9	-175.5	-68.2	-16.1	0	0	0	113.6	Q324 T328 A331	Q324-N326 WeakPolarHBondContact CG-OD1 3.29Å; Q324-N326 PolarHBondContact NE2-OD1 3.2Å; N326-T328 PolarHBondContact O-N 3.34Å; N326-A331 WeakPolarHBondContact O-CB 3.49Å
327	S	78.9	Confident	88.3	Confident	99 Å²	99	77.9 Å²	77.9	69%	0.692	43%	0.428	S	S	*	.			trans	-71.5	55.8	176.2	45.5	0	0	0	0	113
328	T	79.3	Confident	88.3	Confident	35 Å²	35	75.5 Å²	75.5	22%	0.215	44%	0.435	C	S	.	.			trans	-89.6	155.4	-177	78.2	0	0	0	0	112	R191 I325 N326 A330 A331 N332	R191-T328 PolarHBondContact NH2-OG1 3.35Å; I325-T328 VanDerWaalsContact O-CG2 3.28Å; I325-T328 WeakPolarHBondContact O-CG2 3.49Å; N326-T328 PolarHBondContact O-N 3.34Å; T328-A330 PolarHBondContact O-N 3.49Å; T328-A330 PolarHBondContact OG1-N 3.39Å; T328-A331 PolarHBondContact O-N 2.68Å; T328-A331 PolarHBondContact OG1-N 2.98Å; T328-N332 PolarHBondContact O-N 3.24Å; T328-N332 VanDerWaalsContact O-N 3.17Å; T328-N332 PolarHBondContact O-OD1 2.03Å; T328-N332 VanDerWaalsContact O-OD1 3.13Å
329	R	79.8	Confident	88.2	Confident	159 Å²	159	77.2 Å²	77.2	60%	0.6	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-4.1	174.5	-59.8	-171.5	-173.2	-165	-0.9	115.7
330	A	78.6	Confident	88.2	Confident	5 Å²	5	76.3 Å²	76.3	4%	0.041	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-31.9	170.9	0	0	0	0	0	112.5	S195 L198 T328 N332 V333	S195-A330 VanDerWaalsContact O-CB 3.29Å; S195-A330 WeakPolarHBondContact O-CB 3.05Å; L198-A330 HydrophobicContact CB-CB 4.04Å; T328-A330 PolarHBondContact O-N 3.49Å; T328-A330 PolarHBondContact OG1-N 3.39Å; A330-N332 VanDerWaalsContact C-N 3.3Å; A330-V333 PolarHBondContact O-N 2.87Å
331	A	78	Confident	88.2	Confident	66 Å²	66	79.6 Å²	79.6	55%	0.545	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-27.4	173.4	0	0	0	0	0	112	N326 T328 V333	N326-A331 WeakPolarHBondContact O-CB 3.49Å; T328-A331 PolarHBondContact O-N 2.68Å; T328-A331 PolarHBondContact OG1-N 2.98Å; A331-V333 PolarHBondContact O-N 2.97Å
332	N	81.8	Confident	88.3	Confident	127 Å²	127	82.7 Å²	82.7	68%	0.679	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	15.4	173.2	-60.3	36.8	0	0	0	113.3	T328 A330	T328-N332 PolarHBondContact O-N 3.24Å; T328-N332 VanDerWaalsContact O-N 3.17Å; T328-N332 PolarHBondContact O-OD1 2.03Å; T328-N332 VanDerWaalsContact O-OD1 3.13Å; A330-N332 VanDerWaalsContact C-N 3.3Å
333	V	83.8	Confident	88.4	Confident	24 Å²	24	82.6 Å²	82.6	15%	0.145	44%	0.438	C	S	.	.			trans	-105.3	113.6	171.9	-178.7	0	0	0	0	107.4	L198 W201 K202 A330 A331 L335	L198-V333 HydrophobicContact CD2-CG1 4.45Å; W201-V333 HydrophobicContact CZ3-CG1 4.09Å; W201-V333 HydrophobicContact CZ3-CG2 4.26Å; K202-V333 HydrophobicContact CG-CG2 4.46Å; A330-V333 PolarHBondContact O-N 2.87Å; A331-V333 PolarHBondContact O-N 2.97Å; V333-L335 HydrophobicContact CG1-CD2 3.72Å; V333-L335 HydrophobicContact CG1-CG 4.19Å
334	D	84.8	Confident	88.7	Confident	161 Å²	161	80.7 Å²	80.7	86%	0.861	42%	0.422	S	S	*	.			trans	-70.8	140.9	167.6	-170.8	16.9	0	0	0	109.9
335	L	89.1	Confident	89	Confident	41 Å²	41	82 Å²	82	22%	0.215	43%	0.429	C	S	.	.			trans	-141.1	123.7	-169.3	-62.8	168.3	0	0	0	109.5	V194 L198 L241 V333 V339	V194-L335 HydrophobicContact CG1-CD1 4.25Å; L198-L335 HydrophobicContact CD1-CD1 3.48Å; L198-L335 VanDerWaalsContact CD1-CD1 3.48Å; L198-L335 HydrophobicContact CD1-CD2 3.88Å; L198-L335 HydrophobicContact CD1-CG 4.2Å; L198-L335 HydrophobicContact CD2-CD2 4.14Å; L241-L335 HydrophobicContact CD2-CD2 4.38Å; V333-L335 HydrophobicContact CG1-CD2 3.72Å; V333-L335 HydrophobicContact CG1-CG 4.19Å; L335-V339 HydrophobicContact CD2-CG1 4.13Å
336	S	93.6	Very high	89.6	Confident	72 Å²	72	78.3 Å²	78.3	50%	0.503	41%	0.41	S	S	.	.			trans	-67.8	146.9	162.5	66.6	0	0	0	0	110.3	A338 V339 R340	S336-A338 PolarHBondContact O-N 2.94Å; S336-A338 VanDerWaalsContact O-N 3.15Å; S336-V339 PolarHBondContact O-N 3Å; S336-V339 WeakPolarHBondContact OG-CG2 2.99Å; S336-R340 PolarHBondContact O-N 3.3Å
337	E	94.4	Very high	90.5	Very high	98 Å²	98	73 Å²	73	46%	0.458	38%	0.382	S	S	.	.	H	α-helix	trans	-54.2	-34.8	179.5	176.7	62.4	-177.3	0	0	112.6	R340 R341	E337-R340 PolarHBondContact O-N 2.78Å; E337-R341 WeakPolarHBondContact O-CG 3.29Å; E337-R341 PolarHBondContact O-N 3.35Å; E337-R341 IonicContact OE1-CZ 2.92Å; E337-R341 IonicContact OE1-NE 2.91Å; E337-R341 PolarHBondContact OE1-NE 3.32Å; E337-R341 IonicContact OE1-NH2 2.7Å; E337-R341 PolarHBondContact OE1-NH2 2.92Å
338	A	96.3	Very high	91.4	Very high	72 Å²	72	72.1 Å²	72.1	60%	0.595	37%	0.365	S	S	*	.	H	α-helix	trans	-64.7	-38.8	174	0	0	0	0	0	113.2	S336 R342	S336-A338 PolarHBondContact O-N 2.94Å; S336-A338 VanDerWaalsContact O-N 3.15Å; A338-R342 WeakPolarHBondContact O-CB 3.35Å; A338-R342 PolarHBondContact O-N 3.18Å
339	V	96.4	Very high	92.3	Very high	47 Å²	47	70.7 Å²	70.7	29%	0.285	36%	0.356	S	S	.	.	H	α-helix	trans	-72.5	-38.3	176	173.4	0	0	0	0	110.7	L241 M245 L335 S336 R342 I343	L241-V339 HydrophobicContact CD2-CG1 3.85Å; M245-V339 HydrophobicContact SD-CG1 4.4Å; L335-V339 HydrophobicContact CD2-CG1 4.13Å; S336-V339 PolarHBondContact O-N 3Å; S336-V339 WeakPolarHBondContact OG-CG2 2.99Å; V339-R342 PolarHBondContact O-N 2.78Å; V339-I343 HydrophobicContact CG1-CD1 4.08Å; V339-I343 WeakPolarHBondContact O-CG1 3.35Å; V339-I343 PolarHBondContact O-N 2.74Å
340	R	96.8	Very high	93.2	Very high	82 Å²	82	63.1 Å²	63.1	31%	0.309	33%	0.328	S	S	.	.	H	α-helix	trans	-53.9	-57.1	170.8	162.8	172.9	-76.8	-78.4	3.2	110.8	S336 E337 R342 I343 E344	S336-R340 PolarHBondContact O-N 3.3Å; E337-R340 PolarHBondContact O-N 2.78Å; R340-R342 VanDerWaalsContact C-N 3.3Å; R340-R342 PolarHBondContact O-N 2.95Å; R340-I343 WeakPolarHBondContact O-CB 3.36Å; R340-I343 PolarHBondContact O-N 2.96Å; R340-E344 WeakPolarHBondContact CD-OE1 3.45Å; R340-E344 VanDerWaalsContact CG-CD 3.49Å; R340-E344 HydrophobicContact CG-CG 4.46Å; R340-E344 WeakPolarHBondContact CG-OE1 3.37Å; R340-E344 IonicContact CZ-OE1 3.29Å; R340-E344 IonicContact NE-OE1 3.48Å; R340-E344 IonicContact NH1-OE1 2.76Å; R340-E344 PolarHBondContact NH1-OE1 3.34Å; R340-E344 WeakPolarHBondContact O-CG 3.41Å; R340-E344 PolarHBondContact O-N 3.22Å
341	R	97.6	Very high	94.2	Very high	140 Å²	140	65.3 Å²	65.3	53%	0.528	34%	0.34	S	S	.	.	H	α-helix	trans	-58.3	-41.2	-179.3	-70.7	176.1	-168	-173.1	4.7	112.1	E337 I343 E344 E345	E337-R341 WeakPolarHBondContact O-CG 3.29Å; E337-R341 PolarHBondContact O-N 3.35Å; E337-R341 IonicContact OE1-CZ 2.92Å; E337-R341 IonicContact OE1-NE 2.91Å; E337-R341 PolarHBondContact OE1-NE 3.32Å; E337-R341 IonicContact OE1-NH2 2.7Å; E337-R341 PolarHBondContact OE1-NH2 2.92Å; R341-I343 VanDerWaalsContact C-N 3.31Å; R341-I343 PolarHBondContact O-N 3.07Å; R341-E344 CarbonylContact O-C 3.56Å; R341-E344 WeakPolarHBondContact O-CA 3.19Å; R341-E344 WeakPolarHBondContact O-CB 3.43Å; R341-E344 PolarHBondContact O-N 2.98Å; R341-E344 VanDerWaalsContact O-N 3.1Å; R341-E345 WeakPolarHBondContact O-CG 3.48Å; R341-E345 PolarHBondContact O-N 3.05Å
342	R	98.1	Very high	95.2	Very high	117 Å²	117	66 Å²	66	44%	0.442	33%	0.332	S	S	.	.	H	α-helix	trans	-66.3	-29.7	177.1	-173.4	56.6	-177.7	170.1	5	113.5	M245 A338 V339 R340 E345 L346	M245-R342 HydrophobicContact CE-CB 3.69Å; M245-R342 HydrophobicContact CE-CG 3.41Å; M245-R342 VanDerWaalsContact CE-CG 3.41Å; A338-R342 WeakPolarHBondContact O-CB 3.35Å; A338-R342 PolarHBondContact O-N 3.18Å; V339-R342 PolarHBondContact O-N 2.78Å; R340-R342 VanDerWaalsContact C-N 3.3Å; R340-R342 PolarHBondContact O-N 2.95Å; R342-E345 WeakPolarHBondContact CD-OE2 3.13Å; R342-E345 IonicContact CZ-OE2 3.95Å; R342-E345 IonicContact NE-OE2 3.2Å; R342-E345 IonicContact NH1-OE2 2.69Å; R342-E345 PolarHBondContact NH1-OE2 3.16Å; R342-L346 WeakPolarHBondContact O-CD1 3.27Å; R342-L346 VanDerWaalsContact O-CG 3.29Å; R342-L346 WeakPolarHBondContact O-CG 3.18Å; R342-L346 PolarHBondContact O-N 3.03Å
343	I	98.4	Very high	96	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-72.6	-37.8	170.8	-65.8	166.5	0	0	0	110.7	V194 Y197 L198 L241 M245 V339 R340 R341 L346 N347	V194-I343 HydrophobicContact CB-CG2 4.3Å; V194-I343 HydrophobicContact CG1-CD1 4.44Å; V194-I343 HydrophobicContact CG1-CG2 4.16Å; V194-I343 HydrophobicContact CG2-CG2 4.13Å; Y197-I343 HydrophobicContact CD1-CD1 4.44Å; Y197-I343 HydrophobicContact CD1-CG1 4.19Å; Y197-I343 HydrophobicContact CD1-CG2 3.63Å; Y197-I343 HydrophobicContact CE1-CG1 4.3Å; Y197-I343 HydrophobicContact CE1-CG2 4.31Å; Y197-I343 HydrophobicContact CG-CG2 3.87Å; L198-I343 HydrophobicContact CD1-CD1 4.39Å; L198-I343 HydrophobicContact CD2-CD1 3.69Å; L198-I343 HydrophobicContact CG-CD1 4.06Å; L241-I343 HydrophobicContact CD1-CD1 4.43Å; L241-I343 HydrophobicContact CD2-CD1 4.48Å; M245-I343 HydrophobicContact CE-CG1 3.66Å; M245-I343 HydrophobicContact CG-CG1 4.45Å; M245-I343 HydrophobicContact SD-CD1 4.15Å; M245-I343 HydrophobicContact SD-CG1 3.67Å; V339-I343 HydrophobicContact CG1-CD1 4.08Å; V339-I343 WeakPolarHBondContact O-CG1 3.35Å; V339-I343 PolarHBondContact O-N 2.74Å; R340-I343 WeakPolarHBondContact O-CB 3.36Å; R340-I343 PolarHBondContact O-N 2.96Å; R341-I343 VanDerWaalsContact C-N 3.31Å; R341-I343 PolarHBondContact O-N 3.07Å; I343-L346 PolarHBondContact O-N 3.05Å; I343-N347 WeakPolarHBondContact O-CB 3.42Å; I343-N347 PolarHBondContact O-N 2.74Å; I343-N347 VanDerWaalsContact O-N 3.11Å; I343-N347 PolarHBondContact O-ND2 3.07Å
344	E	98.4	Very high	96.7	Very high	58 Å²	58	59.8 Å²	59.8	27%	0.271	30%	0.297	S	S	.	.	H	α-helix	trans	-65.5	-40.9	176.2	-68.1	162.5	175	0	0	111.3	V194 R340 R341 N347 F348 V351	V194-E344 HydrophobicContact CG2-CG 3.42Å; V194-E344 VanDerWaalsContact CG2-CG 3.42Å; R340-E344 WeakPolarHBondContact CD-OE1 3.45Å; R340-E344 VanDerWaalsContact CG-CD 3.49Å; R340-E344 HydrophobicContact CG-CG 4.46Å; R340-E344 WeakPolarHBondContact CG-OE1 3.37Å; R340-E344 IonicContact CZ-OE1 3.29Å; R340-E344 IonicContact NE-OE1 3.48Å; R340-E344 IonicContact NH1-OE1 2.76Å; R340-E344 PolarHBondContact NH1-OE1 3.34Å; R340-E344 WeakPolarHBondContact O-CG 3.41Å; R340-E344 PolarHBondContact O-N 3.22Å; R341-E344 CarbonylContact O-C 3.56Å; R341-E344 WeakPolarHBondContact O-CA 3.19Å; R341-E344 WeakPolarHBondContact O-CB 3.43Å; R341-E344 PolarHBondContact O-N 2.98Å; R341-E344 VanDerWaalsContact O-N 3.1Å; E344-N347 CarbonylContact O-C 3.53Å; E344-N347 PolarHBondContact O-N 2.98Å; E344-N347 VanDerWaalsContact O-N 3.14Å; E344-F348 VanDerWaalsContact O-CA 3.31Å; E344-F348 WeakPolarHBondContact O-CA 3.37Å; E344-F348 PolarHBondContact O-N 2.96Å; E344-V351 HydrophobicContact CB-CG2 4.36Å; E344-V351 HydrophobicContact CG-CG2 4.48Å
345	E	98.3	Very high	97.3	Very high	104 Å²	104	55.8 Å²	55.8	49%	0.486	27%	0.273	S	S	.	.	H	α-helix	trans	-56.9	-49.4	169.3	-73.1	166.5	-152.2	0	0	112.1	R341 R342 N347 F348	R341-E345 WeakPolarHBondContact O-CG 3.48Å; R341-E345 PolarHBondContact O-N 3.05Å; R342-E345 WeakPolarHBondContact CD-OE2 3.13Å; R342-E345 IonicContact CZ-OE2 3.95Å; R342-E345 IonicContact NE-OE2 3.2Å; R342-E345 IonicContact NH1-OE2 2.69Å; R342-E345 PolarHBondContact NH1-OE2 3.16Å; E345-N347 PolarHBondContact O-N 2.9Å; E345-N347 VanDerWaalsContact O-N 3.15Å; E345-F348 VanDerWaalsContact O-CD1 3.31Å; E345-F348 WeakPolarHBondContact O-CD1 3.14Å; E345-F348 PolarHBondContact O-N 3.15Å
346	L	98.5	Very high	97.8	Very high	27 Å²	27	55 Å²	55	14%	0.141	27%	0.267	C	S	.	.	H	α-helix	trans	-67.2	-11.4	177.9	-71.1	168.6	0	0	0	113.7	M245 N253 R342 I343	M245-L346 HydrophobicContact CB-CD1 3.69Å; M245-L346 HydrophobicContact CE-CD1 4.14Å; M245-L346 HydrophobicContact CG-CD1 3.83Å; M245-L346 WeakPolarHBondContact O-CD1 3.48Å; N253-L346 WeakPolarHBondContact CB-O 3.4Å; R342-L346 WeakPolarHBondContact O-CD1 3.27Å; R342-L346 VanDerWaalsContact O-CG 3.29Å; R342-L346 WeakPolarHBondContact O-CG 3.18Å; R342-L346 PolarHBondContact O-N 3.03Å; I343-L346 PolarHBondContact O-N 3.05Å
347	N	98.8	Very high	98	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.7	27	-178.2	-67.5	-90.5	0	0	0	111.8	P193 R196 Y197 A252 N254 I343 E344 E345 L349 D350 V351	P193-N347 HydrophobicContact CB-CB 4.13Å; R196-N347 PolarHBondContact NH2-OD1 2.94Å; Y197-N347 WeakPolarHBondContact CD2-ND2 3.43Å; A252-N347 PolarHBondContact O-OD1 3.47Å; N254-N347 PolarHBondContact N-OD1 3.2Å; N254-N347 VanDerWaalsContact OD1-CA 3.22Å; N254-N347 WeakPolarHBondContact OD1-CA 3.45Å; N254-N347 PolarHBondContact OD1-O 3.13Å; I343-N347 WeakPolarHBondContact O-CB 3.42Å; I343-N347 PolarHBondContact O-N 2.74Å; I343-N347 VanDerWaalsContact O-N 3.11Å; I343-N347 PolarHBondContact O-ND2 3.07Å; E344-N347 CarbonylContact O-C 3.53Å; E344-N347 PolarHBondContact O-N 2.98Å; E344-N347 VanDerWaalsContact O-N 3.14Å; E345-N347 PolarHBondContact O-N 2.9Å; E345-N347 VanDerWaalsContact O-N 3.15Å; N347-L349 VanDerWaalsContact C-N 3.25Å; N347-L349 PolarHBondContact O-N 2.86Å; N347-L349 VanDerWaalsContact O-N 3.15Å; N347-D350 HydrophobicContact CB-CB 3.96Å; N347-D350 CarbonylContact O-C 3.57Å; N347-D350 WeakPolarHBondContact O-CA 3.36Å; N347-D350 VanDerWaalsContact O-CB 3.23Å; N347-D350 WeakPolarHBondContact O-CB 3.16Å; N347-D350 PolarHBondContact O-N 3.47Å; N347-V351 WeakPolarHBondContact O-CG2 3.5Å; N347-V351 PolarHBondContact O-N 3.06Å
348	F	98.7	Very high	98.2	Very high	80 Å²	80	51 Å²	51	35%	0.351	24%	0.239	S	C	.	.	H	α-helix	trans	-61.8	-26.6	-169.9	75	-76.6	0	0	0	114.7	N254 N280 E344 E345 Q352	N254-F348 PolarHBondContact OD1-N 3.13Å; N280-F348 HydrophobicContact CB-CZ 4.41Å; E344-F348 VanDerWaalsContact O-CA 3.31Å; E344-F348 WeakPolarHBondContact O-CA 3.37Å; E344-F348 PolarHBondContact O-N 2.96Å; E345-F348 VanDerWaalsContact O-CD1 3.31Å; E345-F348 WeakPolarHBondContact O-CD1 3.14Å; E345-F348 PolarHBondContact O-N 3.15Å; F348-Q352 WeakPolarHBondContact O-CG 3.36Å; F348-Q352 PolarHBondContact O-N 3.29Å; F348-Q352 PolarHBondContact O-NE2 3.35Å
349	L	98.8	Very high	98.2	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-77.4	-42.8	172	-52.7	176.4	0	0	0	110.3	N254 V257 N280 L284 N347 V351 Q352 L353	N254-L349 HydrophobicContact CB-CB 4.31Å; N254-L349 HydrophobicContact CB-CD1 4.38Å; N254-L349 WeakPolarHBondContact OD1-CB 3.3Å; N254-L349 PolarHBondContact OD1-N 3.1Å; V257-L349 HydrophobicContact CB-CB 4.11Å; V257-L349 HydrophobicContact CG1-CB 4.12Å; V257-L349 HydrophobicContact CG1-CD1 4.28Å; V257-L349 HydrophobicContact CG2-CB 3.81Å; V257-L349 WeakPolarHBondContact CG2-O 3.26Å; N280-L349 HydrophobicContact CB-CD1 4.17Å; N280-L349 HydrophobicContact CB-CD2 4.08Å; L284-L349 HydrophobicContact CB-CD2 4.38Å; L284-L349 HydrophobicContact CD1-CB 4.44Å; L284-L349 WeakPolarHBondContact CD1-O 3.36Å; L284-L349 HydrophobicContact CD2-CD2 4.42Å; N347-L349 VanDerWaalsContact C-N 3.25Å; N347-L349 PolarHBondContact O-N 2.86Å; N347-L349 VanDerWaalsContact O-N 3.15Å; L349-V351 PolarHBondContact O-N 3.4Å; L349-Q352 PolarHBondContact O-N 2.95Å; L349-L353 WeakPolarHBondContact O-CB 3.28Å; L349-L353 PolarHBondContact O-N 3.5Å
350	D	98.9	Very high	98.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-57.4	-36	172.8	-109	48.2	0	0	0	111.7	P193 R196 N254 R255 Q256 V257 N347 Y354	P193-D350 HydrophobicContact CB-CB 3.98Å; P193-D350 VanDerWaalsContact CG-C 3.49Å; P193-D350 HydrophobicContact CG-CB 3.93Å; P193-D350 VanDerWaalsContact CG-O 3.32Å; P193-D350 WeakPolarHBondContact CG-O 3.41Å; R196-D350 IonicContact CZ-OD2 3.39Å; R196-D350 IonicContact NE-OD2 3.53Å; R196-D350 PolarHBondContact NE-OD2 2.78Å; R196-D350 IonicContact NH2-OD2 2.72Å; R196-D350 PolarHBondContact NH2-OD2 3.22Å; N254-D350 WeakPolarHBondContact CA-OD1 3.39Å; N254-D350 PolarHBondContact OD1-N 3.38Å; N254-D350 VanDerWaalsContact OD1-N 3.17Å; R255-D350 PolarHBondContact N-OD1 3.48Å; Q256-D350 WeakPolarHBondContact CA-OD1 3.13Å; Q256-D350 WeakPolarHBondContact CB-OD1 3.43Å; Q256-D350 WeakPolarHBondContact CB-OD2 3.49Å; Q256-D350 WeakPolarHBondContact CG-OD2 3.44Å; Q256-D350 PolarHBondContact N-OD1 2.82Å; Q256-D350 PolarHBondContact N-OD2 2.88Å; Q256-D350 PolarHBondContact NE2-OD2 3.4Å; V257-D350 PolarHBondContact N-OD1 2.99Å; N347-D350 HydrophobicContact CB-CB 3.96Å; N347-D350 CarbonylContact O-C 3.57Å; N347-D350 WeakPolarHBondContact O-CA 3.36Å; N347-D350 VanDerWaalsContact O-CB 3.23Å; N347-D350 WeakPolarHBondContact O-CB 3.16Å; N347-D350 PolarHBondContact O-N 3.47Å; D350-Y354 WeakPolarHBondContact O-CB 3.38Å; D350-Y354 PolarHBondContact O-N 3.24Å
351	V	98.8	Very high	98.4	Very high	50 Å²	50	42.7 Å²	42.7	30%	0.303	19%	0.189	S	C	.	.	H	α-helix	trans	-65.4	-53.1	175.1	171.3	0	0	0	0	111.2	P193 E344 N347 L349 L353 Y354 E355	P193-V351 HydrophobicContact CB-CG2 4.2Å; P193-V351 HydrophobicContact CG-CG2 4.09Å; E344-V351 HydrophobicContact CB-CG2 4.36Å; E344-V351 HydrophobicContact CG-CG2 4.48Å; N347-V351 WeakPolarHBondContact O-CG2 3.5Å; N347-V351 PolarHBondContact O-N 3.06Å; L349-V351 PolarHBondContact O-N 3.4Å; V351-L353 VanDerWaalsContact C-N 3.35Å; V351-L353 PolarHBondContact O-N 2.89Å; V351-Y354 PolarHBondContact O-N 3.17Å; V351-E355 WeakPolarHBondContact O-CB 3.3Å; V351-E355 PolarHBondContact O-N 2.91Å
352	Q	98.6	Very high	98.3	Very high	80 Å²	80	38.2 Å²	38.2	37%	0.374	18%	0.176	S	C	.	.	H	α-helix	trans	-61.9	-41.1	178	-71.5	167.7	89.5	0	0	112.1	L284 M288 F348 L349 Y356	L284-Q352 HydrophobicContact CD1-CB 4.04Å; L284-Q352 HydrophobicContact CD2-CB 3.86Å; L284-Q352 HydrophobicContact CD2-CG 4.42Å; M288-Q352 HydrophobicContact CE-CB 4.48Å; F348-Q352 WeakPolarHBondContact O-CG 3.36Å; F348-Q352 PolarHBondContact O-N 3.29Å; F348-Q352 PolarHBondContact O-NE2 3.35Å; L349-Q352 PolarHBondContact O-N 2.95Å; Q352-Y356 WeakPolarHBondContact O-CB 3.46Å; Q352-Y356 PolarHBondContact O-N 3.46Å; Q352-Y356 VanDerWaalsContact O-N 3.14Å
353	L	98.8	Very high	98.2	Very high	1 Å²	1	34 Å²	34	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-63.4	-45	174.7	178.6	69	0	0	0	111.5	Q256 V257 L260 L284 A287 M288 L291 L349 V351 Y356 A357	Q256-L353 HydrophobicContact CB-CD2 4.06Å; V257-L353 HydrophobicContact CB-CD2 4.42Å; V257-L353 HydrophobicContact CG2-CB 3.56Å; V257-L353 HydrophobicContact CG2-CD2 3.56Å; V257-L353 HydrophobicContact CG2-CG 4.1Å; L260-L353 HydrophobicContact CD1-CD2 3.96Å; L284-L353 HydrophobicContact CD1-CB 4.05Å; A287-L353 HydrophobicContact CB-CD1 4.14Å; A287-L353 HydrophobicContact CB-CD2 4.25Å; M288-L353 HydrophobicContact CG-CD1 3.82Å; L291-L353 HydrophobicContact CD2-CD1 4.04Å; L349-L353 WeakPolarHBondContact O-CB 3.28Å; L349-L353 PolarHBondContact O-N 3.5Å; V351-L353 VanDerWaalsContact C-N 3.35Å; V351-L353 PolarHBondContact O-N 2.89Å; L353-Y356 PolarHBondContact O-N 3.28Å; L353-A357 WeakPolarHBondContact O-CB 3.34Å; L353-A357 PolarHBondContact O-N 2.98Å
354	Y	98.7	Very high	98.2	Very high	20 Å²	20	34.5 Å²	34.5	8%	0.078	16%	0.163	C	C	.	.	H	α-helix	trans	-70.1	-34.9	-178.1	-178.8	-104.9	0	0	0	112.3	R191 D192 P193 L299 E301 D350 V351 A357 K358	R191-Y354 WeakPolarHBondContact O-CD2 3.44Å; D192-Y354 HydrophobicContact CB-CE1 4.03Å; P193-Y354 HydrophobicContact CG-CG 4.44Å; L299-Y354 HydrophobicContact CD2-CE2 4.13Å; E301-Y354 PolarHBondContact OE2-OH 3.37Å; D350-Y354 WeakPolarHBondContact O-CB 3.38Å; D350-Y354 PolarHBondContact O-N 3.24Å; V351-Y354 PolarHBondContact O-N 3.17Å; Y354-A357 PolarHBondContact O-N 3.05Å; Y354-K358 HydrophobicContact CE1-CD 4.21Å; Y354-K358 WeakPolarHBondContact O-CB 3.47Å; Y354-K358 PolarHBondContact O-N 3.21Å
355	E	98.1	Very high	98.1	Very high	77 Å²	77	32.2 Å²	32.2	36%	0.36	15%	0.152	S	C	.	.	H	α-helix	trans	-59.8	-52.3	171.9	179.2	169	-150.3	0	0	111.5	K75 F76 V351 A357 K358 D359	K75-E355 VanDerWaalsContact CD-OE1 3.29Å; K75-E355 WeakPolarHBondContact CD-OE1 3.42Å; K75-E355 WeakPolarHBondContact CE-OE1 3.38Å; K75-E355 IonicContact NZ-OE1 2.72Å; K75-E355 PolarHBondContact NZ-OE1 3.09Å; F76-E355 HydrophobicContact CE2-CG 4.41Å; V351-E355 WeakPolarHBondContact O-CB 3.3Å; V351-E355 PolarHBondContact O-N 2.91Å; E355-A357 PolarHBondContact O-N 3.42Å; E355-K358 PolarHBondContact O-N 2.99Å; E355-D359 PolarHBondContact O-N 2.85Å
356	Y	98.4	Very high	97.9	Very high	25 Å²	25	29.3 Å²	29.3	10%	0.098	14%	0.139	C	C	.	.	H	α-helix	trans	-58	-47.3	174.5	173.7	-91.3	0	0	0	112.5	F76 F78 M288 K292 Q352 L353 K358 D359 L360	F76-Y356 AromaticContact CD1-CD2 3.96Å; F76-Y356 HydrophobicContact CD1-CD2 3.96Å; F76-Y356 HydrophobicContact CD1-CE2 4.47Å; F76-Y356 HydrophobicContact CD2-CD2 4.12Å; F76-Y356 HydrophobicContact CE1-CD2 4.07Å; F76-Y356 HydrophobicContact CE2-CD2 4.23Å; F76-Y356 AromaticContact CG-CD2 3.98Å; F76-Y356 HydrophobicContact CG-CD2 3.98Å; F76-Y356 HydrophobicContact CZ-CD2 4.2Å; F78-Y356 HydrophobicContact CE1-CD2 4.28Å; F78-Y356 AromaticContact CE1-CE2 3.53Å; F78-Y356 HydrophobicContact CE1-CE2 3.53Å; F78-Y356 AromaticContact CE1-CZ 3.68Å; F78-Y356 AromaticContact CZ-CD2 3.96Å; F78-Y356 HydrophobicContact CZ-CD2 3.96Å; F78-Y356 AromaticContact CZ-CE2 3.68Å; F78-Y356 HydrophobicContact CZ-CE2 3.68Å; M288-Y356 HydrophobicContact CB-CD1 4.19Å; M288-Y356 HydrophobicContact CB-CE1 3.83Å; M288-Y356 HydrophobicContact CE-CD2 4.32Å; M288-Y356 HydrophobicContact CE-CG 4.04Å; M288-Y356 HydrophobicContact CG-CD1 3.78Å; M288-Y356 HydrophobicContact CG-CE1 3.97Å; M288-Y356 HydrophobicContact CG-CG 4.07Å; M288-Y356 HydrophobicContact SD-CD1 4.49Å; M288-Y356 HydrophobicContact SD-CD2 4.2Å; M288-Y356 HydrophobicContact SD-CE2 4.46Å; M288-Y356 HydrophobicContact SD-CG 4.2Å; K292-Y356 WeakPolarHBondContact CD-OH 3.33Å; Q352-Y356 WeakPolarHBondContact O-CB 3.46Å; Q352-Y356 PolarHBondContact O-N 3.46Å; Q352-Y356 VanDerWaalsContact O-N 3.14Å; L353-Y356 PolarHBondContact O-N 3.28Å; Y356-K358 VanDerWaalsContact C-N 3.3Å; Y356-K358 PolarHBondContact O-N 3.06Å; Y356-D359 PolarHBondContact O-N 3.45Å; Y356-L360 HydrophobicContact CE1-CD2 4.26Å; Y356-L360 WeakPolarHBondContact O-CB 3.32Å; Y356-L360 PolarHBondContact O-N 2.97Å
357	A	98.5	Very high	97.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.2	-34.5	179.5	0	0	0	0	0	112.5	L190 L291 Y297 L353 Y354 E355 F361	L190-A357 HydrophobicContact CD1-CB 3.69Å; L291-A357 HydrophobicContact CD2-CB 3.56Å; Y297-A357 HydrophobicContact CE2-CB 4.11Å; Y297-A357 PolarHBondContact OH-O 2.93Å; L353-A357 WeakPolarHBondContact O-CB 3.34Å; L353-A357 PolarHBondContact O-N 2.98Å; Y354-A357 PolarHBondContact O-N 3.05Å; E355-A357 PolarHBondContact O-N 3.42Å; A357-F361 WeakPolarHBondContact O-CB 3.37Å; A357-F361 PolarHBondContact O-N 3.44Å
358	K	98.3	Very high	97.5	Very high	85 Å²	85	30.9 Å²	30.9	37%	0.37	15%	0.145	S	C	.	.	H	α-helix	trans	-72	-42.6	178.1	-177.8	176.4	174.5	-175	0	111.9	L299 F302 Y354 E355 Y356 L362	L299-K358 HydrophobicContact CD1-CB 4.3Å; L299-K358 HydrophobicContact CD1-CG 4.4Å; F302-K358 HydrophobicContact CE2-CG 4.43Å; Y354-K358 HydrophobicContact CE1-CD 4.21Å; Y354-K358 WeakPolarHBondContact O-CB 3.47Å; Y354-K358 PolarHBondContact O-N 3.21Å; E355-K358 PolarHBondContact O-N 2.99Å; Y356-K358 VanDerWaalsContact C-N 3.3Å; Y356-K358 PolarHBondContact O-N 3.06Å; K358-L362 HydrophobicContact CG-CD1 4.04Å; K358-L362 WeakPolarHBondContact O-CB 3.29Å; K358-L362 VanDerWaalsContact O-CG 3.27Å; K358-L362 WeakPolarHBondContact O-CG 3.42Å; K358-L362 PolarHBondContact O-N 3.13Å
359	D	97.2	Very high	97.1	Very high	26 Å²	26	28.3 Å²	28.3	14%	0.139	13%	0.133	C	C	.	.	H	α-helix	trans	-62.9	-52.7	174.5	-166.2	10	0	0	0	110.5	K75 F76 F78 E355 Y356 F361 L362 Q363	K75-D359 PolarHBondContact N-OD2 2.88Å; F76-D359 HydrophobicContact CD2-CB 4.13Å; F76-D359 PolarHBondContact N-OD2 3.49Å; F78-D359 HydrophobicContact CE2-CB 4.35Å; E355-D359 PolarHBondContact O-N 2.85Å; Y356-D359 PolarHBondContact O-N 3.45Å; D359-F361 VanDerWaalsContact C-N 3.32Å; D359-F361 PolarHBondContact O-N 3.31Å; D359-L362 PolarHBondContact O-N 3.17Å; D359-Q363 VanDerWaalsContact CG-NE2 3.25Å; D359-Q363 WeakPolarHBondContact O-CB 3.49Å; D359-Q363 WeakPolarHBondContact O-CG 3.41Å; D359-Q363 PolarHBondContact O-N 2.8Å; D359-Q363 PolarHBondContact OD1-NE2 2.99Å; D359-Q363 PolarHBondContact OD2-NE2 3.01Å
360	L	98.1	Very high	96.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-57.1	-41.4	177.3	177.4	58.1	0	0	0	112.8	F78 D82 L83 K292 Y297 Y356 R364	F78-L360 HydrophobicContact CB-CD1 4.49Å; F78-L360 HydrophobicContact CD1-CD1 3.84Å; F78-L360 HydrophobicContact CD2-CB 4.26Å; F78-L360 HydrophobicContact CD2-CD1 3.96Å; F78-L360 HydrophobicContact CE1-CB 4.15Å; F78-L360 HydrophobicContact CE1-CD1 4.02Å; F78-L360 HydrophobicContact CE1-CD2 4.36Å; F78-L360 HydrophobicContact CE1-CG 4.4Å; F78-L360 HydrophobicContact CE2-CB 3.62Å; F78-L360 HydrophobicContact CE2-CD1 4.15Å; F78-L360 HydrophobicContact CE2-CG 4.46Å; F78-L360 HydrophobicContact CG-CD1 3.82Å; F78-L360 HydrophobicContact CZ-CB 3.57Å; F78-L360 HydrophobicContact CZ-CD1 4.19Å; F78-L360 HydrophobicContact CZ-CG 4.3Å; D82-L360 HydrophobicContact CB-CD1 4.45Å; L83-L360 HydrophobicContact CD2-CD1 4.01Å; K292-L360 HydrophobicContact CB-CD2 4.25Å; K292-L360 HydrophobicContact CG-CD2 3.98Å; Y297-L360 HydrophobicContact CE1-CD2 4.14Å; Y297-L360 WeakPolarHBondContact OH-CB 3.15Å; Y297-L360 WeakPolarHBondContact OH-CD2 3.21Å; Y297-L360 WeakPolarHBondContact OH-CG 3.5Å; Y356-L360 HydrophobicContact CE1-CD2 4.26Å; Y356-L360 WeakPolarHBondContact O-CB 3.32Å; Y356-L360 PolarHBondContact O-N 2.97Å; L360-R364 HydrophobicContact CD1-CG 4.18Å; L360-R364 VanDerWaalsContact O-CB 3.27Å; L360-R364 WeakPolarHBondContact O-CB 3.15Å; L360-R364 WeakPolarHBondContact O-CG 3.23Å; L360-R364 PolarHBondContact O-N 3.01Å
361	F	98.1	Very high	96.4	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	17%	0.169	C	C	.	.	H	α-helix	trans	-67.4	-41.3	179.2	177.6	-91.7	0	0	0	112.6	Y297 L299 F302 K305 T306 L309 A357 D359 F365	Y297-F361 HydrophobicContact CD2-CD2 4.42Å; Y297-F361 HydrophobicContact CE2-CB 3.91Å; Y297-F361 HydrophobicContact CE2-CD2 4.15Å; Y297-F361 HydrophobicContact CE2-CG 4.47Å; Y297-F361 WeakPolarHBondContact O-CD2 3.47Å; Y297-F361 WeakPolarHBondContact O-CE2 3.36Å; Y297-F361 PolarHBondContact OH-N 3.47Å; L299-F361 HydrophobicContact CB-CE1 4.44Å; L299-F361 HydrophobicContact CD1-CB 3.75Å; L299-F361 HydrophobicContact CD1-CD1 3.52Å; L299-F361 HydrophobicContact CD1-CD2 4.34Å; L299-F361 HydrophobicContact CD1-CE1 4.16Å; L299-F361 HydrophobicContact CD1-CG 3.62Å; L299-F361 HydrophobicContact CG-CB 4.2Å; L299-F361 HydrophobicContact CG-CD1 3.93Å; L299-F361 HydrophobicContact CG-CD2 3.98Å; L299-F361 HydrophobicContact CG-CE1 4.26Å; L299-F361 HydrophobicContact CG-CE2 4.32Å; L299-F361 HydrophobicContact CG-CG 3.77Å; L299-F361 HydrophobicContact CG-CZ 4.43Å; F302-F361 HydrophobicContact CB-CE1 3.89Å; F302-F361 HydrophobicContact CB-CZ 4.36Å; F302-F361 HydrophobicContact CD2-CE1 4.25Å; F302-F361 HydrophobicContact CG-CE1 4.32Å; K305-F361 HydrophobicContact CB-CE1 3.99Å; K305-F361 HydrophobicContact CB-CZ 4.09Å; T306-F361 WeakPolarHBondContact OG1-CZ 3.45Å; L309-F361 HydrophobicContact CD1-CD2 3.97Å; L309-F361 HydrophobicContact CD1-CE2 3.78Å; L309-F361 HydrophobicContact CD1-CZ 4.2Å; A357-F361 WeakPolarHBondContact O-CB 3.37Å; A357-F361 PolarHBondContact O-N 3.44Å; D359-F361 VanDerWaalsContact C-N 3.32Å; D359-F361 PolarHBondContact O-N 3.31Å; F361-F365 PolarHBondContact O-N 3.3Å
362	L	96.8	Very high	95.9	Very high	47 Å²	47	37 Å²	37	25%	0.246	17%	0.167	C	C	.	.	H	α-helix	trans	-72.8	-39.5	179.3	-68.2	172.9	0	0	0	111.4	F302 K305 K358 D359 F365 Q366	F302-L362 HydrophobicContact CZ-CD2 4.43Å; K305-L362 HydrophobicContact CD-CD2 4.48Å; K358-L362 HydrophobicContact CG-CD1 4.04Å; K358-L362 WeakPolarHBondContact O-CB 3.29Å; K358-L362 VanDerWaalsContact O-CG 3.27Å; K358-L362 WeakPolarHBondContact O-CG 3.42Å; K358-L362 PolarHBondContact O-N 3.13Å; D359-L362 PolarHBondContact O-N 3.17Å; L362-F365 PolarHBondContact O-N 3.11Å; L362-Q366 WeakPolarHBondContact O-CG 3.17Å; L362-Q366 PolarHBondContact O-N 3.37Å
363	Q	95.9	Very high	95.5	Very high	28 Å²	28	37.1 Å²	37.1	13%	0.131	17%	0.167	C	C	.	.	H	α-helix	trans	-63.7	-41.5	171.7	-69.2	-173.5	43.6	0	0	111.7	S74 F76 L83 D359 Q366 Y367	S74-Q363 PolarHBondContact OG-NE2 3.27Å; F76-Q363 PolarHBondContact O-NE2 3.34Å; L83-Q363 HydrophobicContact CD1-CB 4.47Å; L83-Q363 HydrophobicContact CD2-CB 3.61Å; D359-Q363 VanDerWaalsContact CG-NE2 3.25Å; D359-Q363 WeakPolarHBondContact O-CB 3.49Å; D359-Q363 WeakPolarHBondContact O-CG 3.41Å; D359-Q363 PolarHBondContact O-N 2.8Å; D359-Q363 PolarHBondContact OD1-NE2 2.99Å; D359-Q363 PolarHBondContact OD2-NE2 3.01Å; Q363-Q366 PolarHBondContact O-N 2.92Å; Q363-Y367 VanDerWaalsContact O-CB 3.32Å; Q363-Y367 WeakPolarHBondContact O-CB 3.3Å; Q363-Y367 PolarHBondContact O-N 2.8Å
364	R	97.5	Very high	95	Very high	10 Å²	10	42.6 Å²	42.6	4%	0.038	19%	0.193	C	C	.	.	H	α-helix	trans	-55.7	-51.4	171.3	-81.1	176	173.8	178.6	3.5	111.5	D82 L83 R85 K292 Y297 L309 L360 Q366 Y367 T368	D82-R364 VanDerWaalsContact O-CZ 3.26Å; D82-R364 PolarHBondContact O-NE 2.83Å; D82-R364 PolarHBondContact O-NH2 2.8Å; L83-R364 HydrophobicContact CD2-CG 4.22Å; L83-R364 WeakPolarHBondContact O-CG 3.38Å; R85-R364 VanDerWaalsContact CZ-NH2 3.33Å; K292-R364 PolarHBondContact O-NH2 3.48Å; Y297-R364 VanDerWaalsContact CE1-NH1 3.31Å; L309-R364 HydrophobicContact CD1-CB 4.08Å; L309-R364 HydrophobicContact CD2-CB 4.34Å; L360-R364 HydrophobicContact CD1-CG 4.18Å; L360-R364 VanDerWaalsContact O-CB 3.27Å; L360-R364 WeakPolarHBondContact O-CB 3.15Å; L360-R364 WeakPolarHBondContact O-CG 3.23Å; L360-R364 PolarHBondContact O-N 3.01Å; R364-Q366 PolarHBondContact O-N 3.22Å; R364-Y367 PolarHBondContact O-N 2.63Å; R364-T368 PolarHBondContact O-N 3.05Å; R364-T368 PolarHBondContact O-OG1 3.28Å; R364-T368 VanDerWaalsContact O-OG1 3.09Å
365	F	96.1	Very high	94.6	Very high	10 Å²	10	45.9 Å²	45.9	4%	0.044	21%	0.209	C	C	.	.	H	α-helix	trans	-57.2	-46.4	178	174.1	-96	0	0	0	112.1	L64 K305 Y308 L309 F361 L362 R369	L64-F365 HydrophobicContact CB-CZ 4.31Å; L64-F365 HydrophobicContact CD1-CE2 4.43Å; L64-F365 HydrophobicContact CD1-CZ 4.47Å; L64-F365 HydrophobicContact CD2-CE2 4.1Å; L64-F365 HydrophobicContact CD2-CZ 3.91Å; L64-F365 HydrophobicContact CG-CZ 4.46Å; K305-F365 HydrophobicContact CB-CD2 3.85Å; K305-F365 HydrophobicContact CB-CE2 4.13Å; K305-F365 HydrophobicContact CB-CG 4.35Å; K305-F365 HydrophobicContact CD-CD1 4.07Å; K305-F365 HydrophobicContact CD-CD2 4.31Å; K305-F365 HydrophobicContact CD-CE1 4.12Å; K305-F365 HydrophobicContact CD-CE2 4.35Å; K305-F365 HydrophobicContact CD-CG 4.19Å; K305-F365 HydrophobicContact CD-CZ 4.26Å; K305-F365 VanDerWaalsContact CE-CE1 3.49Å; K305-F365 HydrophobicContact CG-CD1 4.44Å; K305-F365 HydrophobicContact CG-CD2 3.83Å; K305-F365 HydrophobicContact CG-CE1 4.33Å; K305-F365 HydrophobicContact CG-CE2 3.7Å; K305-F365 HydrophobicContact CG-CG 4.22Å; K305-F365 HydrophobicContact CG-CZ 3.97Å; Y308-F365 AromaticContact CD1-CD2 3.51Å; Y308-F365 HydrophobicContact CD1-CD2 3.51Å; Y308-F365 AromaticContact CD1-CE2 3.54Å; Y308-F365 HydrophobicContact CD1-CE2 3.54Å; Y308-F365 HydrophobicContact CD2-CE2 4.36Å; Y308-F365 AromaticContact CE1-CD2 3.94Å; Y308-F365 HydrophobicContact CE1-CD2 3.94Å; Y308-F365 AromaticContact CE1-CE2 3.97Å; Y308-F365 HydrophobicContact CE1-CE2 3.97Å; Y308-F365 HydrophobicContact CG-CD2 4.18Å; Y308-F365 AromaticContact CG-CE2 3.79Å; Y308-F365 HydrophobicContact CG-CE2 3.79Å; L309-F365 HydrophobicContact CD1-CB 4.08Å; L309-F365 HydrophobicContact CG-CB 4.38Å; F361-F365 PolarHBondContact O-N 3.3Å; L362-F365 PolarHBondContact O-N 3.11Å; F365-R369 VanDerWaalsContact O-CB 3.27Å; F365-R369 WeakPolarHBondContact O-CB 3.19Å; F365-R369 PolarHBondContact O-N 3.4Å
366	Q	93.6	Very high	94.2	Very high	44 Å²	44	45 Å²	45	21%	0.206	21%	0.209	C	C	.	.	H	α-helix	trans	-66.9	-45.3	179.5	-74	-179.1	-33.3	0	0	112.5	L362 Q363 R364 R369 Q370	L362-Q366 WeakPolarHBondContact O-CG 3.17Å; L362-Q366 PolarHBondContact O-N 3.37Å; Q363-Q366 PolarHBondContact O-N 2.92Å; R364-Q366 PolarHBondContact O-N 3.22Å; Q366-R369 PolarHBondContact O-N 2.84Å; Q366-Q370 WeakPolarHBondContact O-CB 3.22Å; Q366-Q370 VanDerWaalsContact O-CG 3.25Å; Q366-Q370 WeakPolarHBondContact O-CG 3.42Å; Q366-Q370 PolarHBondContact O-N 2.92Å
367	Y	94.3	Very high	93.7	Very high	45 Å²	45	52 Å²	52	18%	0.176	24%	0.235	C	C	.	.	H	α-helix	trans	-59.7	-49.8	177.4	173.4	-92.1	0	0	0	111.5	E80 L83 D84 Q363 R364 R369 Q370 R371	E80-Y367 HydrophobicContact CG-CE2 4.02Å; E80-Y367 WeakPolarHBondContact CG-OH 3.47Å; E80-Y367 WeakPolarHBondContact OE1-CE2 3.46Å; E80-Y367 PolarHBondContact OE1-OH 3.42Å; L83-Y367 HydrophobicContact CB-CD1 4.05Å; L83-Y367 HydrophobicContact CB-CD2 4.42Å; L83-Y367 HydrophobicContact CB-CG 3.94Å; L83-Y367 HydrophobicContact CD1-CD2 4.34Å; L83-Y367 HydrophobicContact CD1-CG 4.34Å; D84-Y367 HydrophobicContact CB-CE1 3.84Å; Q363-Y367 VanDerWaalsContact O-CB 3.32Å; Q363-Y367 WeakPolarHBondContact O-CB 3.3Å; Q363-Y367 PolarHBondContact O-N 2.8Å; R364-Y367 PolarHBondContact O-N 2.63Å; Y367-R369 PolarHBondContact O-N 3.4Å; Y367-Q370 PolarHBondContact O-N 3.15Å; Y367-R371 WeakPolarHBondContact O-CB 3.32Å; Y367-R371 PolarHBondContact O-N 3.14Å; Y367-R371 PolarHBondContact OH-NH1 3.33Å
368	T	94.4	Very high	93.4	Very high	15 Å²	15	56.3 Å²	56.3	9%	0.092	26%	0.258	C	S	.	.	H	α-helix	trans	-61.8	-43.9	177.8	-55.5	0	0	0	0	112	Y308 R312 R364 R371 E372	Y308-T368 HydrophobicContact CE1-CG2 3.95Å; R312-T368 HydrophobicContact CB-CG2 3.79Å; R312-T368 HydrophobicContact CG-CG2 3.77Å; R364-T368 PolarHBondContact O-N 3.05Å; R364-T368 PolarHBondContact O-OG1 3.28Å; R364-T368 VanDerWaalsContact O-OG1 3.09Å; T368-R371 PolarHBondContact O-N 2.95Å; T368-E372 WeakPolarHBondContact O-CB 3.36Å; T368-E372 PolarHBondContact O-N 2.91Å
369	R	91.2	Very high	93.1	Very high	26 Å²	26	58.3 Å²	58.3	10%	0.098	27%	0.266	C	S	.	.	H	α-helix	trans	-66.2	-40.8	179	-172.2	169.1	177.5	-97.6	-7.6	112.2	D65 D67 Y308 F365 Q366 Y367 H373	D65-R369 IonicContact OD1-CZ 3.76Å; D65-R369 IonicContact OD1-NH2 2.64Å; D65-R369 PolarHBondContact OD1-NH2 3.31Å; D67-R369 IonicContact OD1-CZ 3.48Å; D67-R369 IonicContact OD1-NH1 2.96Å; D67-R369 PolarHBondContact OD1-NH1 2.65Å; D67-R369 IonicContact OD1-NH2 3.14Å; D67-R369 PolarHBondContact OD1-NH2 3.39Å; Y308-R369 VanDerWaalsContact OH-CA 3.24Å; Y308-R369 WeakPolarHBondContact OH-CA 3.09Å; Y308-R369 PolarHBondContact OH-N 3.43Å; F365-R369 VanDerWaalsContact O-CB 3.27Å; F365-R369 WeakPolarHBondContact O-CB 3.19Å; F365-R369 PolarHBondContact O-N 3.4Å; Q366-R369 PolarHBondContact O-N 2.84Å; Y367-R369 PolarHBondContact O-N 3.4Å; R369-H373 WeakPolarHBondContact O-CB 3.45Å; R369-H373 PolarHBondContact O-CD2 3.44Å; R369-H373 VanDerWaalsContact O-CG 3.31Å; R369-H373 PolarHBondContact O-N 2.73Å
370	Q	91.1	Very high	92.9	Very high	115 Å²	115	63.2 Å²	63.2	54%	0.537	28%	0.283	S	S	.	.	H	α-helix	trans	-63.6	-41.4	174.4	-73.9	177.3	15.2	0	0	111.9	Q366 Y367 H373 Q374	Q366-Q370 WeakPolarHBondContact O-CB 3.22Å; Q366-Q370 VanDerWaalsContact O-CG 3.25Å; Q366-Q370 WeakPolarHBondContact O-CG 3.42Å; Q366-Q370 PolarHBondContact O-N 2.92Å; Y367-Q370 PolarHBondContact O-N 3.15Å; Q370-H373 PolarHBondContact O-N 3.12Å; Q370-Q374 VanDerWaalsContact O-CG 3.3Å; Q370-Q374 WeakPolarHBondContact O-CG 3.36Å; Q370-Q374 PolarHBondContact O-N 3.31Å
371	R	90.8	Very high	92.6	Very high	66 Å²	66	70.9 Å²	70.9	25%	0.249	31%	0.312	C	S	.	.	H	α-helix	trans	-65.2	-47.3	176.7	-168.9	168.6	70.6	-167.3	3.2	112.1	D84 Y367 T368 H373 Q374 E375	D84-R371 IonicContact OD1-CZ 3.74Å; D84-R371 IonicContact OD1-NH1 2.83Å; D84-R371 PolarHBondContact OD1-NH1 3.17Å; D84-R371 IonicContact OD1-NH2 3.89Å; D84-R371 PolarHBondContact OD1-NH2 2.82Å; D84-R371 IonicContact OD2-CZ 3.05Å; D84-R371 IonicContact OD2-NH1 3.35Å; D84-R371 PolarHBondContact OD2-NH1 2.8Å; D84-R371 IonicContact OD2-NH2 2.71Å; D84-R371 PolarHBondContact OD2-NH2 3.34Å; Y367-R371 WeakPolarHBondContact O-CB 3.32Å; Y367-R371 PolarHBondContact O-N 3.14Å; Y367-R371 PolarHBondContact OH-NH1 3.33Å; T368-R371 PolarHBondContact O-N 2.95Å; R371-H373 VanDerWaalsContact C-N 3.3Å; R371-H373 PolarHBondContact O-N 2.88Å; R371-Q374 WeakPolarHBondContact O-CB 3.23Å; R371-Q374 PolarHBondContact O-N 3.32Å; R371-E375 WeakPolarHBondContact O-CG 3.22Å; R371-E375 PolarHBondContact O-N 3.14Å
372	E	89.5	Confident	92.3	Very high	56 Å²	56	76.6 Å²	76.6	26%	0.262	34%	0.339	S	S	.	.	H	α-helix	trans	-57.9	-41.7	175.3	-169.1	171.4	179.9	0	0	111.2	Y308 R312 T368 Q374 V376	Y308-E372 WeakPolarHBondContact CE2-OE2 3.46Å; Y308-E372 PolarHBondContact OH-OE2 3.15Å; R312-E372 IonicContact CZ-OE1 2.78Å; R312-E372 IonicContact CZ-OE2 4Å; R312-E372 IonicContact NE-OE1 3.6Å; R312-E372 PolarHBondContact NE-OE1 2.96Å; R312-E372 IonicContact NE-OE2 2.75Å; R312-E372 PolarHBondContact NE-OE2 3.02Å; R312-E372 IonicContact NH2-OE1 3.99Å; R312-E372 PolarHBondContact NH2-OE1 2.88Å; R312-E372 IonicContact NH2-OE2 3.8Å; R312-E372 PolarHBondContact NH2-OE2 2.78Å; T368-E372 WeakPolarHBondContact O-CB 3.36Å; T368-E372 PolarHBondContact O-N 2.91Å; E372-Q374 PolarHBondContact O-N 2.88Å; E372-V376 WeakPolarHBondContact O-CG2 3.44Å; E372-V376 PolarHBondContact O-N 2.82Å; E372-V376 VanDerWaalsContact O-N 3.1Å
373	H	89.1	Confident	92.1	Very high	82 Å²	82	79.7 Å²	79.7	38%	0.38	35%	0.352	S	S	.	.	H	α-helix	trans	-66	-34.6	174	-75.4	-150.1	0	0	0	113	R369 Q370 R371 R377	R369-H373 WeakPolarHBondContact O-CB 3.45Å; R369-H373 PolarHBondContact O-CD2 3.44Å; R369-H373 VanDerWaalsContact O-CG 3.31Å; R369-H373 PolarHBondContact O-N 2.73Å; Q370-H373 PolarHBondContact O-N 3.12Å; R371-H373 VanDerWaalsContact C-N 3.3Å; R371-H373 PolarHBondContact O-N 2.88Å; H373-R377 WeakPolarHBondContact O-CB 3.3Å; H373-R377 WeakPolarHBondContact O-CD 3.44Å; H373-R377 WeakPolarHBondContact O-CG 3.4Å; H373-R377 PolarHBondContact O-N 3.14Å; H373-R377 VanDerWaalsContact O-N 3.14Å
374	Q	89	Confident	91.9	Very high	116 Å²	116	85.5 Å²	85.5	54%	0.542	37%	0.373	S	S	.	.	H	α-helix	trans	-70.2	-45.6	176	-74.2	175.7	28.5	0	0	111.7	Q370 R371 E372 V376 R377 L378	Q370-Q374 VanDerWaalsContact O-CG 3.3Å; Q370-Q374 WeakPolarHBondContact O-CG 3.36Å; Q370-Q374 PolarHBondContact O-N 3.31Å; R371-Q374 WeakPolarHBondContact O-CB 3.23Å; R371-Q374 PolarHBondContact O-N 3.32Å; E372-Q374 PolarHBondContact O-N 2.88Å; Q374-V376 PolarHBondContact O-N 3.34Å; Q374-R377 PolarHBondContact O-N 2.81Å; Q374-R377 VanDerWaalsContact O-N 3.12Å; Q374-L378 WeakPolarHBondContact O-CG 3.49Å; Q374-L378 PolarHBondContact O-N 3.43Å
375	E	89.6	Confident	91.6	Very high	90 Å²	90	93 Å²	93	42%	0.421	40%	0.401	S	S	.	.	H	α-helix	trans	-57.2	-46.2	175.9	-71.2	175.3	-142	0	0	111.9	R371 R377 L378 K379	R371-E375 WeakPolarHBondContact O-CG 3.22Å; R371-E375 PolarHBondContact O-N 3.14Å; E375-R377 VanDerWaalsContact C-N 3.33Å; E375-R377 PolarHBondContact O-N 2.91Å; E375-L378 PolarHBondContact O-N 2.9Å; E375-K379 WeakPolarHBondContact O-CG 3.34Å; E375-K379 PolarHBondContact O-N 3.24Å
376	V	89.6	Confident	91.4	Very high	59 Å²	59	99.4 Å²	99.4	36%	0.358	43%	0.425	S	S	.	.	H	α-helix	trans	-63.6	-37.6	176.2	171.9	0	0	0	0	111.5	E372 Q374 L378 R380	E372-V376 WeakPolarHBondContact O-CG2 3.44Å; E372-V376 PolarHBondContact O-N 2.82Å; E372-V376 VanDerWaalsContact O-N 3.1Å; Q374-V376 PolarHBondContact O-N 3.34Å; V376-L378 VanDerWaalsContact C-N 3.34Å; V376-R380 HydrophobicContact CG1-CG 4.44Å; V376-R380 VanDerWaalsContact O-CB 3.31Å; V376-R380 WeakPolarHBondContact O-CB 3.22Å; V376-R380 VanDerWaalsContact O-CG 3.3Å; V376-R380 WeakPolarHBondContact O-CG 3.36Å; V376-R380 PolarHBondContact O-N 2.78Å
377	R	89.8	Confident	91.3	Very high	171 Å²	171	101.4 Å²	101.4	65%	0.645	44%	0.437	S	S	*	.	H	α-helix	trans	-69.5	-28.9	175.9	-73.1	171.2	83.7	-177.3	7.8	113	H373 Q374 E375 R381	H373-R377 WeakPolarHBondContact O-CB 3.3Å; H373-R377 WeakPolarHBondContact O-CD 3.44Å; H373-R377 WeakPolarHBondContact O-CG 3.4Å; H373-R377 PolarHBondContact O-N 3.14Å; H373-R377 VanDerWaalsContact O-N 3.14Å; Q374-R377 PolarHBondContact O-N 2.81Å; Q374-R377 VanDerWaalsContact O-N 3.12Å; E375-R377 VanDerWaalsContact C-N 3.33Å; E375-R377 PolarHBondContact O-N 2.91Å; R377-R381 WeakPolarHBondContact O-CD 3.22Å; R377-R381 VanDerWaalsContact O-CG 3.27Å; R377-R381 WeakPolarHBondContact O-CG 3.49Å; R377-R381 PolarHBondContact O-N 3.04Å
378	L	92.4	Very high	91	Very high	90 Å²	90	107.9 Å²	107.9	47%	0.471	46%	0.461	S	S	.	.	H	α-helix	trans	-73.8	-51	173.9	-72	169	0	0	0	111.4	Q374 E375 V376 R380 R381 E382	Q374-L378 WeakPolarHBondContact O-CG 3.49Å; Q374-L378 PolarHBondContact O-N 3.43Å; E375-L378 PolarHBondContact O-N 2.9Å; V376-L378 VanDerWaalsContact C-N 3.34Å; L378-R380 VanDerWaalsContact C-N 3.34Å; L378-R380 PolarHBondContact O-N 3.37Å; L378-R381 WeakPolarHBondContact O-CA 3.35Å; L378-R381 WeakPolarHBondContact O-CB 3.48Å; L378-R381 PolarHBondContact O-N 3.22Å; L378-E382 PolarHBondContact O-N 3.04Å
379	K	91.8	Very high	90.7	Very high	128 Å²	128	111.7 Å²	111.7	56%	0.557	48%	0.477	S	S	*	.	H	α-helix	trans	-55.4	-47.3	175.8	-69.6	172	-178.3	170.3	0	111.7	E375 R381 E382 E383	E375-K379 WeakPolarHBondContact O-CG 3.34Å; E375-K379 PolarHBondContact O-N 3.24Å; K379-R381 PolarHBondContact O-N 2.99Å; K379-R381 VanDerWaalsContact O-N 3.13Å; K379-E382 PolarHBondContact O-N 2.6Å; K379-E383 WeakPolarHBondContact O-CB 3.49Å; K379-E383 PolarHBondContact O-N 3.1Å
380	R	91.4	Very high	90.4	Very high	128 Å²	128	115 Å²	115	48%	0.483	49%	0.494	S	S	.	.	H	α-helix	trans	-67.3	-6.3	173.9	-68.8	179.1	-179.8	177.9	2.5	114.1	V376 L378 R384	V376-R380 HydrophobicContact CG1-CG 4.44Å; V376-R380 VanDerWaalsContact O-CB 3.31Å; V376-R380 WeakPolarHBondContact O-CB 3.22Å; V376-R380 VanDerWaalsContact O-CG 3.3Å; V376-R380 WeakPolarHBondContact O-CG 3.36Å; V376-R380 PolarHBondContact O-N 2.78Å; L378-R380 VanDerWaalsContact C-N 3.34Å; L378-R380 PolarHBondContact O-N 3.37Å; R380-R384 VanDerWaalsContact O-CZ 3.26Å; R380-R384 PolarHBondContact O-NE 3.29Å; R380-R384 PolarHBondContact O-NH2 3.07Å
381	R	91.8	Very high	89.9	Confident	161 Å²	161	118.2 Å²	118.2	61%	0.608	50%	0.501	S	S	*	.	H	α-helix	trans	-95.2	-38.7	170	-83	170.1	166	-173.9	-4.5	111.2	R377 L378 K379 R384 R385	R377-R381 WeakPolarHBondContact O-CD 3.22Å; R377-R381 VanDerWaalsContact O-CG 3.27Å; R377-R381 WeakPolarHBondContact O-CG 3.49Å; R377-R381 PolarHBondContact O-N 3.04Å; L378-R381 WeakPolarHBondContact O-CA 3.35Å; L378-R381 WeakPolarHBondContact O-CB 3.48Å; L378-R381 PolarHBondContact O-N 3.22Å; K379-R381 PolarHBondContact O-N 2.99Å; K379-R381 VanDerWaalsContact O-N 3.13Å; R381-R384 PolarHBondContact O-N 2.99Å; R381-R385 PolarHBondContact O-N 3.1Å
382	E	92.9	Very high	89.3	Confident	122 Å²	122	119.7 Å²	119.7	57%	0.57	51%	0.514	S	S	*	.	H	α-helix	trans	-66.3	-48.6	176.9	-68.5	161.5	167.8	0	0	111.1	L378 K379 R384 R385 W386	L378-E382 PolarHBondContact O-N 3.04Å; K379-E382 PolarHBondContact O-N 2.6Å; E382-R384 VanDerWaalsContact C-N 3.33Å; E382-R384 PolarHBondContact O-N 3.27Å; E382-R385 WeakPolarHBondContact O-CA 3.29Å; E382-R385 WeakPolarHBondContact O-CB 3.39Å; E382-R385 PolarHBondContact O-N 3.34Å; E382-W386 PolarHBondContact O-N 2.97Å
383	E	92.1	Very high	88.4	Confident	112 Å²	112	124.9 Å²	124.9	52%	0.523	54%	0.538	S	S	.	.	H	α-helix	trans	-52.6	-48.1	171.9	177.7	-174	-145.2	0	0	112	K379 R385 W386 L387	K379-E383 WeakPolarHBondContact O-CB 3.49Å; K379-E383 PolarHBondContact O-N 3.1Å; E383-R385 PolarHBondContact O-N 3.39Å; E383-W386 PolarHBondContact O-N 3.35Å; E383-L387 HydrophobicContact CG-CD1 4.17Å; E383-L387 WeakPolarHBondContact O-CB 3.12Å; E383-L387 WeakPolarHBondContact O-CG 3.45Å; E383-L387 PolarHBondContact O-N 3.37Å
384	R	91.8	Very high	87	Confident	150 Å²	150	123.8 Å²	123.8	57%	0.566	55%	0.55	S	S	*	.	H	α-helix	trans	-70.9	-14.2	176.7	-82.7	-175.5	-67.4	-173.3	-5.7	114.3	R380 R381 E382 R388	R380-R384 VanDerWaalsContact O-CZ 3.26Å; R380-R384 PolarHBondContact O-NE 3.29Å; R380-R384 PolarHBondContact O-NH2 3.07Å; R381-R384 PolarHBondContact O-N 2.99Å; E382-R384 VanDerWaalsContact C-N 3.33Å; E382-R384 PolarHBondContact O-N 3.27Å; R384-R388 WeakPolarHBondContact O-CD 3.44Å; R384-R388 VanDerWaalsContact O-CG 3.3Å; R384-R388 WeakPolarHBondContact O-CG 3.43Å
385	R	92.2	Very high	85.5	Confident	166 Å²	166	125.8 Å²	125.8	63%	0.626	55%	0.552	S	S	*	*	H	α-helix	trans	-82.1	-51.2	169.1	-175.5	-172.1	-67.4	177.2	-1.8	109.7	R381 E382 E383 L387 R388 E389	R381-R385 PolarHBondContact O-N 3.1Å; E382-R385 WeakPolarHBondContact O-CA 3.29Å; E382-R385 WeakPolarHBondContact O-CB 3.39Å; E382-R385 PolarHBondContact O-N 3.34Å; E383-R385 PolarHBondContact O-N 3.39Å; R385-L387 VanDerWaalsContact C-N 3.33Å; R385-L387 PolarHBondContact O-N 3.03Å; R385-R388 WeakPolarHBondContact O-CA 3.29Å; R385-R388 WeakPolarHBondContact O-CB 3.43Å; R385-R388 PolarHBondContact O-N 2.73Å; R385-E389 VanDerWaalsContact CD-OE1 3.29Å; R385-E389 WeakPolarHBondContact CD-OE1 3.31Å; R385-E389 HydrophobicContact CG-CG 4.48Å; R385-E389 WeakPolarHBondContact CG-OE1 3.04Å; R385-E389 PolarHBondContact O-N 3.48Å
386	W	91.4	Very high	83.7	Confident	145 Å²	145	127.4 Å²	127.4	55%	0.549	57%	0.57	S	S	.	*	H	α-helix	trans	-56	-43.5	178.3	-178.4	81.1	0	0	0	112.6	E382 E383 R388 E389 Q390	E382-W386 PolarHBondContact O-N 2.97Å; E383-W386 PolarHBondContact O-N 3.35Å; W386-R388 VanDerWaalsContact C-N 3.26Å; W386-R388 PolarHBondContact O-N 3.32Å; W386-E389 PolarHBondContact O-N 3.11Å; W386-Q390 PolarHBondContact O-N 2.95Å
387	L	90.4	Very high	81.9	Confident	87 Å²	87	135.9 Å²	135.9	46%	0.455	60%	0.596	S	S	.	*	H	α-helix	trans	-64.1	-25.1	174.7	-71.3	172.1	0	0	0	114	E383 R385 R391	E383-L387 HydrophobicContact CG-CD1 4.17Å; E383-L387 WeakPolarHBondContact O-CB 3.12Å; E383-L387 WeakPolarHBondContact O-CG 3.45Å; E383-L387 PolarHBondContact O-N 3.37Å; R385-L387 VanDerWaalsContact C-N 3.33Å; R385-L387 PolarHBondContact O-N 3.03Å; L387-R391 WeakPolarHBondContact O-CB 3.31Å; L387-R391 PolarHBondContact O-N 3.2Å
388	R	89.3	Confident	80	Confident	180 Å²	180	132.8 Å²	132.8	68%	0.679	60%	0.598	S	S	*	*	H	α-helix	trans	-78.4	-46.8	172.4	-69.8	170.2	179.1	-157.3	-3	110.6	R384 R385 W386 Q390 R391 D392	R384-R388 WeakPolarHBondContact O-CD 3.44Å; R384-R388 VanDerWaalsContact O-CG 3.3Å; R384-R388 WeakPolarHBondContact O-CG 3.43Å; R385-R388 WeakPolarHBondContact O-CA 3.29Å; R385-R388 WeakPolarHBondContact O-CB 3.43Å; R385-R388 PolarHBondContact O-N 2.73Å; W386-R388 VanDerWaalsContact C-N 3.26Å; W386-R388 PolarHBondContact O-N 3.32Å; R388-Q390 VanDerWaalsContact C-N 3.31Å; R388-Q390 PolarHBondContact O-N 2.77Å; R388-R391 WeakPolarHBondContact O-CA 3.44Å; R388-R391 WeakPolarHBondContact O-CB 3.39Å; R388-R391 PolarHBondContact O-N 3.33Å; R388-D392 PolarHBondContact O-N 3.23Å
389	E	88.4	Confident	77.8	Confident	95 Å²	95	133.3 Å²	133.3	44%	0.444	61%	0.609	S	S	.	*	H	α-helix	trans	-57.7	-43.1	178.6	-69.8	166.3	-179.1	0	0	111.4	R385 W386 D392 Q393	R385-E389 VanDerWaalsContact CD-OE1 3.29Å; R385-E389 WeakPolarHBondContact CD-OE1 3.31Å; R385-E389 HydrophobicContact CG-CG 4.48Å; R385-E389 WeakPolarHBondContact CG-OE1 3.04Å; R385-E389 PolarHBondContact O-N 3.48Å; W386-E389 PolarHBondContact O-N 3.11Å; E389-D392 PolarHBondContact O-N 3.38Å; E389-Q393 WeakPolarHBondContact O-CB 3.46Å; E389-Q393 VanDerWaalsContact O-CG 3.25Å; E389-Q393 WeakPolarHBondContact O-CG 3.5Å; E389-Q393 PolarHBondContact O-N 2.91Å
390	Q	83.6	Confident	75.5	Confident	96 Å²	96	137.1 Å²	137.1	45%	0.449	63%	0.626	S	S	.	*	H	α-helix	trans	-62.4	-42.3	171.2	-74.5	-163.7	-28.2	0	0	113.2	W386 R388 D392 G394	W386-Q390 PolarHBondContact O-N 2.95Å; R388-Q390 VanDerWaalsContact C-N 3.31Å; R388-Q390 PolarHBondContact O-N 2.77Å; Q390-D392 VanDerWaalsContact C-N 3.31Å; Q390-D392 PolarHBondContact O-N 2.59Å; Q390-G394 PolarHBondContact O-N 3.41Å
391	R	81.8	Confident	73.2	Confident	182 Å²	182	139.4 Å²	139.4	69%	0.687	64%	0.642	S	S	*	*	H	α-helix	trans	-65.5	-35.1	-179.3	-172.9	178	-174.5	-171.8	2.9	112.3	L387 R388	L387-R391 WeakPolarHBondContact O-CB 3.31Å; L387-R391 PolarHBondContact O-N 3.2Å; R388-R391 WeakPolarHBondContact O-CA 3.44Å; R388-R391 WeakPolarHBondContact O-CB 3.39Å; R388-R391 PolarHBondContact O-N 3.33Å
392	D	78.6	Confident	70.7	Confident	97 Å²	97	141.7 Å²	141.7	52%	0.519	66%	0.656	S	S	.	*	H	α-helix	trans	-85	-29.9	-178.9	-66.6	-34.8	0	0	0	112.4	R388 E389 Q390 G394 R395	R388-D392 PolarHBondContact O-N 3.23Å; E389-D392 PolarHBondContact O-N 3.38Å; Q390-D392 VanDerWaalsContact C-N 3.31Å; Q390-D392 PolarHBondContact O-N 2.59Å; D392-G394 VanDerWaalsContact C-N 3.31Å; D392-R395 IonicContact OD1-NE 3.45Å; D392-R395 PolarHBondContact OD1-NE 3.03Å; D392-R395 IonicContact OD1-NH2 3.54Å
393	Q	68.6	Low	68.1	Low	165 Å²	165	139.4 Å²	139.4	77%	0.771	67%	0.666	S	S	*	*	H	α-helix	trans	-67.1	-31	164.9	-70.4	172.5	30.8	0	0	112.5	E389 R395	E389-Q393 WeakPolarHBondContact O-CB 3.46Å; E389-Q393 VanDerWaalsContact O-CG 3.25Å; E389-Q393 WeakPolarHBondContact O-CG 3.5Å; E389-Q393 PolarHBondContact O-N 2.91Å; Q393-R395 VanDerWaalsContact C-N 3.28Å; Q393-R395 PolarHBondContact O-N 3Å
394	G	60.5	Low	65.4	Low	60 Å²	60	140.2 Å²	140.2	62%	0.619	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	7.9	-179.7	0	0	0	0	0	116.1	Q390 D392 P396	Q390-G394 PolarHBondContact O-N 3.41Å; D392-G394 VanDerWaalsContact C-N 3.31Å; G394-P396 WeakPolarHBondContact O-CD 3.36Å
395	R	57.6	Low	62.7	Low	158 Å²	158	136.6 Å²	136.6	60%	0.596	69%	0.693	S	S	*	*			trans	-95.8	114	176.8	-70.4	175.5	-173.6	-102.1	10.4	111.2	D392 Q393 W397	D392-R395 IonicContact OD1-NE 3.45Å; D392-R395 PolarHBondContact OD1-NE 3.03Å; D392-R395 IonicContact OD1-NH2 3.54Å; Q393-R395 VanDerWaalsContact C-N 3.28Å; Q393-R395 PolarHBondContact O-N 3Å; R395-W397 PolarHBondContact O-N 3.15Å
396	P	52.7	Low	60	Low	123 Å²	123	139 Å²	139	80%	0.799	71%	0.708	S	S	*	*			trans	-60.4	130.1	163.2	-19.6	32.5	0	0	0	109.8	G394	G394-P396 WeakPolarHBondContact O-CD 3.36Å
397	W	51.7	Low	57.1	Low	237 Å²	237	135.8 Å²	135.8	90%	0.898	72%	0.72	S	S	*	*			trans	-65.3	125.1	174.4	-161.9	-80.5	0	0	0	109.1	R395 S399	R395-W397 PolarHBondContact O-N 3.15Å; W397-S399 PolarHBondContact O-N 3.06Å
398	P	49.5	Very low	54.3	Low	107 Å²	107	140 Å²	140	70%	0.695	74%	0.743	S	S	*	*			trans	-66.8	109.4	179.6	25.9	-32.5	0	0	0	109.6	K400	P398-K400 PolarHBondContact O-N 2.81Å
399	S	45.1	Very low	51.5	Low	100 Å²	100	134.8 Å²	134.8	70%	0.699	75%	0.745	S	S	*	*			trans	-63.7	116.8	179.5	46.9	0	0	0	0	110.3	W397 H401	W397-S399 PolarHBondContact O-N 3.06Å; S399-H401 PolarHBondContact O-N 2.71Å
400	K	44.3	Very low	48.7	Very low	208 Å²	208	133.6 Å²	133.6	90%	0.904	76%	0.758	S	S	*	*			trans	-72.7	70.1	-179.4	-76.8	-174.9	174.6	176.8	0	112.4	P398 K402	P398-K400 PolarHBondContact O-N 2.81Å; K400-K402 PolarHBondContact O-N 2.97Å
401	H	42.9	Very low	46.3	Very low	177 Å²	177	136.4 Å²	136.4	82%	0.819	78%	0.775	S	S	*	*			trans	-80.8	88.6	160.3	-87.1	-73	0	0	0	110.3	S399 G403	S399-H401 PolarHBondContact O-N 2.71Å; H401-G403 PolarHBondContact O-N 2.76Å
402	K	40.1	Very low	43.8	Very low	208 Å²	208	136.2 Å²	136.2	90%	0.904	78%	0.779	S	S	*	*			trans	-81.2	94	159.7	-99	-165.3	170	-170	0	109.1	K400	K400-K402 PolarHBondContact O-N 2.97Å
403	G	37.2	Very low	41.5	Very low	75 Å²	75	138.8 Å²	138.8	77%	0.773	79%	0.788	S	S	*	*			trans	-67.6	161.7	161.1	0	0	0	0	0	111.4	H401	H401-G403 PolarHBondContact O-N 2.76Å
404	S	36.8	Very low	39.8	Very low	128 Å²	128	138.1 Å²	138.1	90%	0.895	78%	0.782	S	S	*	*			trans	-118.5	140.8	-170.3	50.8	0	0	0	0	114.2
405	G	33.9	Very low	38.3	Very low	75 Å²	75	141.8 Å²	141.8	77%	0.773	78%	0.783	S	S	*	*			trans	112.8	159	171.1	0	0	0	0	0	113.7
406	K	36.7	Very low	37	Very low	216 Å²	216	139.6 Å²	139.6	94%	0.939	79%	0.788	S	S	*	*			cis	171.5	144.6	-29.9	-126.4	-165.9	171	-169.2	0	104.6
407	G	29.6	Very low	35.9	Very low	77 Å²	77	141.4 Å²	141.4	79%	0.794	79%	0.786	S	S	*	*			trans	105.4	112.3	-174	0	0	0	0	0	111.5
408	D	32.7	Very low	34.8	Very low	177 Å²	177	135.8 Å²	135.8	95%	0.947	77%	0.773	S	S	*	*			cis	109.9	133.5	7.3	-159.4	14.9	0	0	0	114.8
409	G	30.2	Very low	33.9	Very low	70 Å²	70	137.4 Å²	137.4	72%	0.722	78%	0.776	S	S	*	*			trans	106.7	109	166.4	0	0	0	0	0	120.6
410	G	28.9	Very low	33.1	Very low	70 Å²	70	139.9 Å²	139.9	72%	0.722	78%	0.781	S	S	*	*			trans	80.4	120.1	155.4	0	0	0	0	0	118
411	I	32.2	Very low	33	Very low	155 Å²	155	135.4 Å²	135.4	80%	0.795	77%	0.773	S	S	*	*			cis	99	141.3	19.2	-53.4	173	0	0	0	114.5
412	F	29.2	Very low	32.8	Very low	177 Å²	177	133.3 Å²	133.3	78%	0.776	77%	0.773	S	S	*	*			trans	88	129	-174.1	-71.7	-91.9	0	0	0	115.8
413	E	30.4	Very low	32.3	Very low	152 Å²	152	130.3 Å²	130.3	71%	0.71	77%	0.772	S	S	*	*			cis	-152.9	179.5	-7.9	-147.8	171.2	-172.7	0	0	112.9
414	K	32.8	Very low	32.5	Very low	150 Å²	150	133.2 Å²	133.2	65%	0.652	78%	0.775	S	S	*	*			trans	-45.6	164	171.5	-69.2	166.5	149.7	-77.5	0	115.3
415	E	30.1	Very low	32.2	Very low	137 Å²	137	136.3 Å²	136.3	64%	0.64	78%	0.775	S	S	*	*			cis	-168.5	-173.8	-7	-107	159.5	-179.9	0	0	107
416	T	30	Very low	32.2	Very low	112 Å²	112	139.8 Å²	139.8	69%	0.687	78%	0.776	S	S	*	*			cis	-157.9	165.1	8.7	-10.4	0	0	0	0	109.7
417	E	30	Very low	31.9	Very low	161 Å²	161	140.1 Å²	140.1	75%	0.752	77%	0.773	S	S	*	*			trans	54	147.3	153.8	-61	-167.3	115.5	0	0	121.4
418	N	28.9	Very low	32.1	Very low	119 Å²	119	141.9 Å²	141.9	64%	0.636	77%	0.768	S	S	*	*			cis	-155.8	154.2	-16.8	-97	-19.1	0	0	0	110.5
419	D	29.4	Very low	32.1	Very low	141 Å²	141	138 Å²	138	75%	0.754	76%	0.756	S	S	*	*			trans	48.4	136.7	153.5	-65.1	-35.9	0	0	0	126.4
420	L	29.8	Very low	32.2	Very low	152 Å²	152	144.2 Å²	144.2	80%	0.796	77%	0.766	S	S	*	*			trans	-49.4	-179.7	166.1	-73.7	82.1	0	0	0	117
421	P	41.9	Very low	32.4	Very low	115 Å²	115	147.1 Å²	147.1	75%	0.747	77%	0.769	S	S	*	*			cis	-131.9	-179.1	-4.3	22.5	2	0	0	0	115.7
422	T	37.7	Very low	32.4	Very low	133 Å²	133	144.2 Å²	144.2	82%	0.816	77%	0.768	S	S	*	*			trans	-63	142.2	161	45.8	0	0	0	0	114.9
423	T	29.6	Very low	32.5	Very low	145 Å²	145	146.7 Å²	146.7	89%	0.89	77%	0.773	S	S	*	*			trans	-141.4	149.3	138.1	37	0	0	0	0	111.1
424	T	41.7	Very low	32.7	Very low	136 Å²	136	155 Å²	155	83%	0.834	80%	0.797	S	S	*	*			trans	-110.5	136.4	167.9	49.7	0	0	0	0	108.7
425	E	31.2	Very low	32.7	Very low	193 Å²	193	155.2 Å²	155.2	90%	0.902	81%	0.805	S	S	*	*			trans	-153.7	147.9	161.7	-129.1	161.2	-140.8	0	0	112.7
426	D	33.4	Very low	32.8	Very low	147 Å²	147	156.2 Å²	156.2	79%	0.786	81%	0.813	S	S	*	*			trans	-70.7	150.7	172.4	-87.4	-61.2	0	0	0	110.7
427	Y	29.3	Very low	33	Very low	224 Å²	224	158.6 Å²	158.6	88%	0.878	82%	0.82	S	S	*	*			trans	-135.6	123.3	152.7	-122.8	-87.4	0	0	0	112.2
428	T	35	Very low	33.1	Very low	113 Å²	113	158.5 Å²	158.5	69%	0.693	82%	0.824	S	S	*	*			trans	-102.2	165.1	173.8	53.6	0	0	0	0	110.2
429	S	32.7	Very low	33.4	Very low	97 Å²	97	160.9 Å²	160.9	68%	0.678	84%	0.836	S	S	*	*			trans	62.5	105.7	160.7	171.4	0	0	0	0	117.5
430	Q	32.4	Very low	33.7	Very low	200 Å²	200	162.3 Å²	162.3	94%	0.935	84%	0.842	S	S	*	*			trans	-120.3	120.4	140.4	-72.8	-167.8	-4.4	0	0	109.7
431	V	33	Very low	34	Very low	130 Å²	130	163 Å²	163	79%	0.788	85%	0.845	S	S	*	*			trans	-95.7	111.1	169.6	175.9	0	0	0	0	107.3	R433	V431-R433 PolarHBondContact O-N 2.72Å
432	A	32.5	Very low	33.3	Very low	95 Å²	95	166.7 Å²	166.7	79%	0.785	85%	0.852	S	S	*	*			trans	-76.9	121	173.2	0	0	0	0	0	110.2
433	R	30.8	Very low	33	Very low	229 Å²	229	169.5 Å²	169.5	86%	0.864	86%	0.855	S	S	*	*			trans	-84.4	124.7	160.5	-80.6	178.8	168.1	176.4	-4.1	108.9	V431	V431-R433 PolarHBondContact O-N 2.72Å
434	W	34.2	Very low	33.3	Very low	325 Å²	325	171.7 Å²	171.7	100%	1.231	85%	0.852	S	S	*	*			trans	-148.2	0	146.1	-80.1	103.2	0	0	0	107.7

Retrieved 434 of 434 residues in 1490.4 ms (Link to these results)

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