A0A087XB06_POEFO Loading...

NADH dehydrogenase (ubiquinone) complex I, assembly factor 6

Involved in the assembly of mitochondrial NADH:ubiquinone oxidoreductase complex (complex I) at early stages. May play a role in the biogenesis of complex I subunit MT-ND1.

AlphaFold DB , UniProt , Accession A0A087XB06, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 332 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	43.7	Very low	31.6	Very low	240 Å²	240	135.6 Å²	135.6	100%	1.182	82%	0.815	S	S	*	*				0	86.8	0	-51.1	-165	-153.1	0	0	105.8
2	A	28.6	Very low	31	Very low	95 Å²	95	140.3 Å²	140.3	79%	0.785	82%	0.816	S	S	*	*				41.3	112.9	74.1	0	0	0	0	0	109.4
3	V	34.7	Very low	30.8	Very low	143 Å²	143	137.5 Å²	137.5	87%	0.867	81%	0.81	S	S	*	*			cis	-161.1	137.5	49.7	173.6	0	0	0	0	105.6
4	G	29.5	Very low	30.5	Very low	57 Å²	57	143.2 Å²	143.2	59%	0.588	81%	0.811	S	S	*	*				99.4	99.6	55.9	0	0	0	0	0	109.8
5	V	30.3	Very low	30.4	Very low	147 Å²	147	145.9 Å²	145.9	89%	0.891	81%	0.81	S	S	*	*				64.2	118.9	117	-178.1	0	0	0	0	115.6
6	S	27.7	Very low	30.4	Very low	107 Å²	107	144.9 Å²	144.9	75%	0.748	81%	0.809	S	S	*	*				177.7	131.5	98.5	-158.4	0	0	0	0	113.5
7	V	36.4	Very low	30.3	Very low	116 Å²	116	141.9 Å²	141.9	70%	0.703	80%	0.8	S	S	*	*			trans	-66.8	150.2	159.1	172.5	0	0	0	0	109.5
8	Q	31.3	Very low	30.3	Very low	190 Å²	190	142.7 Å²	142.7	89%	0.888	80%	0.801	S	S	*	*			trans	-144.7	126.7	138.8	-78.9	-147.4	-13	0	0	112
9	H	31.6	Very low	30.2	Very low	182 Å²	182	142.1 Å²	142.1	84%	0.843	79%	0.794	S	S	*	*			trans	-75.6	149.8	159.6	-83.5	-24.3	0	0	0	110.6
10	G	27.4	Very low	30.1	Very low	67 Å²	67	146 Å²	146	69%	0.691	80%	0.798	S	S	*	*			trans	-174.1	100.5	157.2	0	0	0	0	0	108.8
11	L	26.6	Very low	29.9	Very low	148 Å²	148	142.7 Å²	142.7	78%	0.775	79%	0.785	S	S	*	*				74.6	121.6	77.5	-79.7	164.6	0	0	0	114.4
12	F	24.5	Very low	29.3	Very low	191 Å²	191	138.8 Å²	138.8	84%	0.838	77%	0.767	S	S	*	*			trans	78.4	129.2	142.2	-83.7	-68.8	0	0	0	121.9
13	S	28.1	Very low	29.7	Very low	104 Å²	104	139 Å²	139	73%	0.727	76%	0.761	S	S	*	*			trans	107.4	102.6	134.2	-160.9	0	0	0	0	115.4
14	R	27.4	Very low	29.4	Very low	218 Å²	218	143.4 Å²	143.4	82%	0.823	76%	0.762	S	S	*	*				68.3	129.4	77.6	-119.1	-177	-168.5	-167.9	3	114.7
15	K	28.3	Very low	29.5	Very low	184 Å²	184	150.4 Å²	150.4	80%	0.8	78%	0.776	S	S	*	*			trans	81.2	133.1	167	-53	-179.9	178.6	-178.5	0	112.6
16	T	30.3	Very low	29.4	Very low	129 Å²	129	150.4 Å²	150.4	79%	0.791	77%	0.769	S	S	*	*			cis	-156.4	145.1	48.5	26.4	0	0	0	0	112.4
17	S	29.2	Very low	29.6	Very low	95 Å²	95	150.1 Å²	150.1	66%	0.664	77%	0.774	S	S	*	*			trans	-42.6	147.3	158	49.8	0	0	0	0	114.6
18	L	29.9	Very low	29.2	Very low	156 Å²	156	151.9 Å²	151.9	82%	0.817	78%	0.778	S	S	*	*			trans	-147.7	111.4	135.8	-102.3	163.4	0	0	0	109.6	Y20	L18-Y20 HydrophobicContact CD2-CE2 4.38Å
19	I	28.8	Very low	29.1	Very low	130 Å²	130	150.5 Å²	150.5	67%	0.667	78%	0.777	S	S	*	*			trans	-71.3	129.4	168.9	-67.6	162.7	0	0	0	106.8	S21	I19-S21 WeakPolarHBondContact CG2-OG 3.16Å
20	Y	28.7	Very low	29	Very low	221 Å²	221	145.6 Å²	145.6	87%	0.867	78%	0.776	S	S	*	*			trans	-129.4	117.3	153.7	-97.3	-84.1	0	0	0	109.4	L18	L18-Y20 HydrophobicContact CD2-CE2 4.38Å
21	S	24.8	Very low	29	Very low	76 Å²	76	149.2 Å²	149.2	53%	0.531	78%	0.784	S	S	.	*			trans	-116.2	158.1	-177.3	-41	0	0	0	0	108.3	I19	I19-S21 WeakPolarHBondContact CG2-OG 3.16Å
22	I	30.6	Very low	29	Very low	158 Å²	158	146.6 Å²	146.6	81%	0.81	78%	0.777	S	S	*	*			trans	90.7	149.9	152.1	-54.7	151.6	0	0	0	115.3
23	P	37.9	Very low	29.3	Very low	100 Å²	100	145.4 Å²	145.4	65%	0.649	78%	0.778	S	S	*	*			cis	-128	155.6	-8.1	19.5	2.6	0	0	0	116.7
24	R	28.2	Very low	29.5	Very low	236 Å²	236	148.8 Å²	148.8	89%	0.891	78%	0.782	S	S	*	*			trans	-71.4	138.1	142.4	-101.2	176.5	169.5	-175.1	-3	109.8
25	K	30.9	Very low	29.6	Very low	203 Å²	203	150.1 Å²	150.1	88%	0.883	79%	0.787	S	S	*	*			trans	-128.5	130.1	157.2	-92.6	-173.4	176.1	-178.7	0	110.4
26	I	29.9	Very low	29.6	Very low	147 Å²	147	146.1 Å²	146.1	75%	0.754	79%	0.789	S	S	*	*			trans	-113	136.5	167.4	-67.4	167.1	0	0	0	105.7
27	A	30.7	Very low	29.9	Very low	102 Å²	102	144.4 Å²	144.4	84%	0.843	79%	0.787	S	S	*	*			trans	-166.5	149	144	0	0	0	0	0	111.3
28	L	28.4	Very low	30.1	Very low	152 Å²	152	148 Å²	148	80%	0.796	79%	0.793	S	S	*	*			trans	-97.4	169.7	-165.9	-83.5	136.6	0	0	0	114.2
29	N	28.5	Very low	30.3	Very low	162 Å²	162	148.6 Å²	148.6	87%	0.866	80%	0.796	S	S	*	*			trans	98.1	111.4	153.6	-65.7	-15	0	0	0	119.5
30	G	29.5	Very low	30.7	Very low	79 Å²	79	149.6 Å²	149.6	81%	0.814	80%	0.798	S	S	*	*			trans	-162.7	119.9	157.2	0	0	0	0	0	109.3
31	V	28.1	Very low	31.4	Very low	143 Å²	143	142.6 Å²	142.6	87%	0.867	78%	0.781	S	S	*	*			trans	-83.1	133.8	-169.3	167.8	0	0	0	0	112.8
32	C	27.1	Very low	32.2	Very low	92 Å²	92	144.5 Å²	144.5	62%	0.622	79%	0.789	S	S	*	*			trans	21.7	118.9	146.1	-155.1	0	0	0	0	121.4
33	I	29.8	Very low	32.5	Very low	167 Å²	167	147.4 Å²	147.4	86%	0.856	79%	0.79	S	S	*	*			trans	-131	113.8	136.7	-62.8	-177.9	0	0	0	107.3
34	Q	32.4	Very low	32.5	Very low	174 Å²	174	145.3 Å²	145.3	81%	0.813	78%	0.781	S	S	*	*			trans	-70.3	127.2	174.9	-79	172.3	-22.1	0	0	110.6
35	R	29	Very low	33.2	Very low	247 Å²	247	137.7 Å²	137.7	93%	0.932	76%	0.764	S	S	*	*			trans	-124.1	134.7	155.5	-106.6	-176.9	177	178.7	-0.7	109.2
36	A	29.8	Very low	33.8	Very low	100 Å²	100	132.3 Å²	132.3	83%	0.826	75%	0.748	S	S	*	*			trans	-73.3	144.1	-168	0	0	0	0	0	113.3
37	A	36	Very low	35.1	Very low	92 Å²	92	130.4 Å²	130.4	76%	0.76	74%	0.739	S	S	*	*			trans	59.8	99.5	149.8	0	0	0	0	0	119.2
38	E	32.8	Very low	36.5	Very low	170 Å²	170	128.8 Å²	128.8	79%	0.794	72%	0.719	S	S	*	*			trans	-139.3	93.3	133.8	-100.1	-177	-176.6	0	0	108.2	Q40	E38-Q40 PolarHBondContact O-N 3.27Å
39	I	34.5	Very low	38.1	Very low	170 Å²	170	124.3 Å²	124.3	87%	0.872	70%	0.704	S	S	*	*			trans	-77.2	82.3	164	-60.8	173.8	0	0	0	105.5	S41	I39-S41 PolarHBondContact O-N 3.48Å
40	Q	38.1	Very low	40.1	Very low	150 Å²	150	118.5 Å²	118.5	70%	0.701	68%	0.682	S	S	*	*			trans	-66.6	128.1	164.6	-84.4	-176.7	-2.5	0	0	108.7	E38 V42	E38-Q40 PolarHBondContact O-N 3.27Å; Q40-V42 PolarHBondContact O-N 3.03Å
41	S	42.1	Very low	42	Very low	75 Å²	75	120 Å²	120	52%	0.524	67%	0.668	S	S	.	*			trans	-50.2	99.6	-179.5	145.2	0	0	0	0	112.5	I39 R43 A44	I39-S41 PolarHBondContact O-N 3.48Å; S41-R43 VanDerWaalsContact C-N 3.3Å; S41-A44 WeakPolarHBondContact OG-CB 3.39Å; S41-A44 PolarHBondContact OG-N 3.32Å
42	V	42.9	Very low	44.2	Very low	116 Å²	116	116.2 Å²	116.2	70%	0.703	64%	0.643	S	S	*	*	S	Bend	trans	-78.5	-17.9	165.3	-178.9	0	0	0	0	111.2	Q40	Q40-V42 PolarHBondContact O-N 3.03Å
43	R	35.8	Very low	46.9	Very low	219 Å²	219	118.7 Å²	118.7	83%	0.826	65%	0.646	S	S	*	*	H	α-helix	trans	-74.5	-27.1	-178.4	-84.3	-177.7	173.8	168.7	-1.7	114.8	S41 T46	S41-R43 VanDerWaalsContact C-N 3.3Å; R43-T46 PolarHBondContact O-OG1 3.05Å
44	A	39.1	Very low	49.9	Very low	55 Å²	55	116.4 Å²	116.4	46%	0.455	63%	0.631	S	S	.	*	H	α-helix	trans	-76.1	-32	179.1	0	0	0	0	0	113.1	S41 T48	S41-A44 WeakPolarHBondContact OG-CB 3.39Å; S41-A44 PolarHBondContact OG-N 3.32Å; A44-T48 PolarHBondContact O-N 3.48Å; A44-T48 PolarHBondContact O-OG1 3.25Å
45	S	42.4	Very low	52.9	Low	77 Å²	77	108.5 Å²	108.5	54%	0.538	60%	0.595	S	S	.	*	H	α-helix	trans	-72.3	-30.6	-176.7	-48.6	0	0	0	0	113.2	T48 A49	S45-T48 WeakPolarHBondContact CA-OG1 3.39Å; S45-T48 PolarHBondContact O-OG1 3.19Å; S45-A49 WeakPolarHBondContact O-CB 3.49Å; S45-A49 PolarHBondContact O-N 3.37Å
46	T	44	Very low	56.1	Low	89 Å²	89	100.1 Å²	100.1	55%	0.546	57%	0.567	S	S	.	*	H	α-helix	trans	-74.5	-34.7	177.3	46.2	0	0	0	0	112.4	R43 G50	R43-T46 PolarHBondContact O-OG1 3.05Å; T46-G50 PolarHBondContact O-N 3.42Å
47	N	56.3	Low	59.3	Low	107 Å²	107	101.8 Å²	101.8	57%	0.572	56%	0.555	S	S	*	*	H	α-helix	trans	-73.9	-44	177.6	-76.1	4.2	0	0	0	111.7	A49 G50 E51	N47-A49 PolarHBondContact O-N 2.91Å; N47-G50 PolarHBondContact O-N 3.36Å; N47-E51 WeakPolarHBondContact O-CB 3.46Å; N47-E51 WeakPolarHBondContact O-CG 3.37Å; N47-E51 PolarHBondContact O-N 2.95Å
48	T	60.3	Low	62.2	Low	68 Å²	68	101.7 Å²	101.7	42%	0.417	54%	0.536	S	S	.	.	H	α-helix	trans	-63.9	-37.6	176.7	34.4	0	0	0	0	112.6	A44 S45 N52	A44-T48 PolarHBondContact O-N 3.48Å; A44-T48 PolarHBondContact O-OG1 3.25Å; S45-T48 WeakPolarHBondContact CA-OG1 3.39Å; S45-T48 PolarHBondContact O-OG1 3.19Å; T48-N52 WeakPolarHBondContact O-CB 3.3Å; T48-N52 PolarHBondContact O-N 3.03Å; T48-N52 PolarHBondContact O-ND2 3.18Å; T48-N52 VanDerWaalsContact O-ND2 3.11Å
49	A	62.4	Low	65.3	Low	58 Å²	58	93.7 Å²	93.7	48%	0.479	50%	0.499	S	S	.	.	H	α-helix	trans	-64.3	-41.6	174.1	0	0	0	0	0	112.4	S45 N47 N52 Q53	S45-A49 WeakPolarHBondContact O-CB 3.49Å; S45-A49 PolarHBondContact O-N 3.37Å; N47-A49 PolarHBondContact O-N 2.91Å; A49-N52 PolarHBondContact O-N 3.38Å; A49-Q53 PolarHBondContact O-N 3.15Å; A49-Q53 VanDerWaalsContact O-N 3.1Å
50	G	68.9	Low	68.3	Low	40 Å²	40	87.6 Å²	87.6	41%	0.412	47%	0.468	S	S	.	.	H	α-helix	trans	-66.9	-44	176.1	0	0	0	0	0	113.3	T46 N47 Q53 H54	T46-G50 PolarHBondContact O-N 3.42Å; N47-G50 PolarHBondContact O-N 3.36Å; G50-Q53 PolarHBondContact O-N 3.47Å; G50-H54 WeakPolarHBondContact O-CB 2.99Å; G50-H54 PolarHBondContact O-N 3.02Å
51	E	70	Confident	71.2	Confident	111 Å²	111	83.7 Å²	83.7	52%	0.519	45%	0.452	S	S	.	.	H	α-helix	trans	-64	-40.1	174.2	-73	171.2	178.6	0	0	111.5	N47 Q53 H54 S55	N47-E51 WeakPolarHBondContact O-CB 3.46Å; N47-E51 WeakPolarHBondContact O-CG 3.37Å; N47-E51 PolarHBondContact O-N 2.95Å; E51-Q53 VanDerWaalsContact C-N 3.35Å; E51-Q53 PolarHBondContact O-N 2.85Å; E51-H54 WeakPolarHBondContact O-CB 3.25Å; E51-H54 PolarHBondContact O-N 2.91Å; E51-S55 PolarHBondContact O-N 3.46Å; E51-S55 PolarHBondContact O-OG 3.32Å
52	N	75.1	Confident	73.8	Confident	63 Å²	63	81 Å²	81	34%	0.337	43%	0.431	S	S	.	.	H	α-helix	trans	-62.5	-40.2	176.8	-79.7	-24.7	0	0	0	112.8	T48 A49 E56 R83 K138	T48-N52 WeakPolarHBondContact O-CB 3.3Å; T48-N52 PolarHBondContact O-N 3.03Å; T48-N52 PolarHBondContact O-ND2 3.18Å; T48-N52 VanDerWaalsContact O-ND2 3.11Å; A49-N52 PolarHBondContact O-N 3.38Å; N52-E56 PolarHBondContact O-N 3.49Å; N52-R83 PolarHBondContact O-NH2 2.99Å; N52-K138 WeakPolarHBondContact OD1-CE 3.46Å; N52-K138 PolarHBondContact OD1-NZ 3.35Å
53	Q	84.3	Confident	76.5	Confident	145 Å²	145	75.5 Å²	75.5	68%	0.678	40%	0.398	S	S	*	.	H	α-helix	trans	-73.9	-31.8	177	-165.2	171.2	34.5	0	0	111.5	A49 G50 E51 K57	A49-Q53 PolarHBondContact O-N 3.15Å; A49-Q53 VanDerWaalsContact O-N 3.1Å; G50-Q53 PolarHBondContact O-N 3.47Å; E51-Q53 VanDerWaalsContact C-N 3.35Å; E51-Q53 PolarHBondContact O-N 2.85Å; Q53-K57 VanDerWaalsContact O-CB 3.25Å; Q53-K57 WeakPolarHBondContact O-CB 3.35Å; Q53-K57 PolarHBondContact O-N 3.36Å; Q53-K57 VanDerWaalsContact O-N 3.13Å
54	H	92.4	Very high	79.4	Confident	118 Å²	118	70.1 Å²	70.1	55%	0.546	38%	0.378	S	S	.	.	H	α-helix	trans	-64.2	-50.8	174.7	-177.7	81.8	0	0	0	111.7	G50 E51 E56 K57 Y58	G50-H54 WeakPolarHBondContact O-CB 2.99Å; G50-H54 PolarHBondContact O-N 3.02Å; E51-H54 WeakPolarHBondContact O-CB 3.25Å; E51-H54 PolarHBondContact O-N 2.91Å; H54-E56 PolarHBondContact O-N 3.43Å; H54-K57 PolarHBondContact O-N 2.95Å; H54-Y58 WeakPolarHBondContact O-CB 3.42Å; H54-Y58 PolarHBondContact O-N 2.98Å
55	S	95.2	Very high	82.2	Confident	9 Å²	9	71 Å²	71	6%	0.063	38%	0.38	C	S	.	.	H	α-helix	trans	-63.9	-41.7	-177	-61.4	0	0	0	0	112.8	E51 Y58 C59	E51-S55 PolarHBondContact O-N 3.46Å; E51-S55 PolarHBondContact O-OG 3.32Å; S55-Y58 WeakPolarHBondContact O-CB 3.46Å; S55-Y58 PolarHBondContact O-N 2.88Å; S55-C59 PolarHBondContact O-N 3.01Å; S55-C59 PolarHBondContact O-SG 3.32Å
56	E	95.1	Very high	84.7	Confident	70 Å²	70	75.2 Å²	75.2	33%	0.327	38%	0.384	S	S	.	.	H	α-helix	trans	-60	-48.7	173.3	-178.3	178	175.7	0	0	112.2	N52 H54 Y58 C59 L60 R83	N52-E56 PolarHBondContact O-N 3.49Å; H54-E56 PolarHBondContact O-N 3.43Å; E56-Y58 VanDerWaalsContact C-N 3.28Å; E56-Y58 PolarHBondContact O-N 2.9Å; E56-C59 PolarHBondContact O-N 3.25Å; E56-L60 WeakPolarHBondContact O-CB 3.45Å; E56-L60 PolarHBondContact O-N 3.09Å; E56-R83 HydrophobicContact CG-CG 4.5Å; E56-R83 IonicContact OE2-CZ 3.9Å; E56-R83 IonicContact OE2-NE 2.88Å; E56-R83 IonicContact OE2-NH1 2.84Å; E56-R83 PolarHBondContact OE2-NH1 2.97Å; E56-R83 IonicContact OE2-NH2 3.87Å
57	K	96.8	Very high	87.2	Confident	136 Å²	136	72.4 Å²	72.4	59%	0.591	37%	0.366	S	S	*	.	H	α-helix	trans	-63.7	-36	179.4	-173.3	174.9	-178.4	179.6	0	111.7	Q53 H54 N61	Q53-K57 VanDerWaalsContact O-CB 3.25Å; Q53-K57 WeakPolarHBondContact O-CB 3.35Å; Q53-K57 PolarHBondContact O-N 3.36Å; Q53-K57 VanDerWaalsContact O-N 3.13Å; H54-K57 PolarHBondContact O-N 2.95Å; K57-N61 WeakPolarHBondContact O-CB 3.31Å; K57-N61 VanDerWaalsContact O-CG 3.26Å; K57-N61 PolarHBondContact O-N 3.23Å; K57-N61 PolarHBondContact O-ND2 3.26Å
58	Y	97.7	Very high	89.1	Confident	89 Å²	89	71 Å²	71	35%	0.349	35%	0.353	S	S	.	.	H	α-helix	trans	-60.6	-55.8	174	-179	-87.1	0	0	0	111.1	H54 S55 E56 L60 N61 L62 E94 P131 V132	H54-Y58 WeakPolarHBondContact O-CB 3.42Å; H54-Y58 PolarHBondContact O-N 2.98Å; S55-Y58 WeakPolarHBondContact O-CB 3.46Å; S55-Y58 PolarHBondContact O-N 2.88Å; E56-Y58 VanDerWaalsContact C-N 3.28Å; E56-Y58 PolarHBondContact O-N 2.9Å; Y58-L60 VanDerWaalsContact C-N 3.31Å; Y58-L60 PolarHBondContact O-N 3.2Å; Y58-N61 PolarHBondContact O-N 3.46Å; Y58-L62 HydrophobicContact CE1-CB 4.5Å; Y58-L62 HydrophobicContact CE1-CD2 3.99Å; Y58-L62 WeakPolarHBondContact O-CB 3.4Å; Y58-L62 PolarHBondContact O-N 3.22Å; Y58-E94 PolarHBondContact OH-OE1 3.15Å; Y58-P131 HydrophobicContact CD1-CB 3.58Å; Y58-P131 HydrophobicContact CD1-CG 4.23Å; Y58-P131 HydrophobicContact CD2-CG 4.44Å; Y58-P131 HydrophobicContact CE1-CB 4.25Å; Y58-P131 HydrophobicContact CG-CB 3.76Å; Y58-P131 HydrophobicContact CG-CG 4.12Å; Y58-V132 HydrophobicContact CD1-CG2 4.09Å; Y58-V132 HydrophobicContact CE1-CG2 3.83Å
59	C	98.1	Very high	90.8	Very high	3 Å²	3	70.3 Å²	70.3	2%	0.02	35%	0.345	C	S	.	.	H	α-helix	trans	-55.9	-46.2	178.7	-71.9	0	0	0	0	111.5	S55 E56 N61 L62 V63 A90	S55-C59 PolarHBondContact O-N 3.01Å; S55-C59 PolarHBondContact O-SG 3.32Å; E56-C59 PolarHBondContact O-N 3.25Å; C59-N61 PolarHBondContact O-N 2.88Å; C59-L62 PolarHBondContact O-N 3.3Å; C59-V63 VanDerWaalsContact O-CG2 3.3Å; C59-V63 WeakPolarHBondContact O-CG2 3.43Å; C59-V63 PolarHBondContact O-N 3.47Å; C59-A90 HydrophobicContact CB-CB 3.87Å
60	L	97.6	Very high	92.3	Very high	41 Å²	41	67.6 Å²	67.6	22%	0.215	32%	0.323	C	S	.	.	H	α-helix	trans	-59.8	-46	178.5	179.4	157	0	0	0	112.3	E56 Y58 R64 F71 L86	E56-L60 WeakPolarHBondContact O-CB 3.45Å; E56-L60 PolarHBondContact O-N 3.09Å; Y58-L60 VanDerWaalsContact C-N 3.31Å; Y58-L60 PolarHBondContact O-N 3.2Å; L60-R64 VanDerWaalsContact CD2-CZ 3.4Å; L60-R64 VanDerWaalsContact O-CB 3.27Å; L60-R64 WeakPolarHBondContact O-CB 3.41Å; L60-R64 PolarHBondContact O-N 3.18Å; L60-F71 HydrophobicContact CD2-CE2 4.33Å; L60-F71 HydrophobicContact CG-CE2 4.14Å; L60-L86 HydrophobicContact CB-CD1 4.4Å; L60-L86 HydrophobicContact CD1-CD1 4.38Å; L60-L86 HydrophobicContact CG-CD1 4.45Å
61	N	98.1	Very high	93.7	Very high	69 Å²	69	66.3 Å²	66.3	37%	0.369	31%	0.306	S	S	.	.	H	α-helix	trans	-70.2	-36.4	179.4	-73.9	-29	0	0	0	112.5	K57 Y58 C59 R64 S65	K57-N61 WeakPolarHBondContact O-CB 3.31Å; K57-N61 VanDerWaalsContact O-CG 3.26Å; K57-N61 PolarHBondContact O-N 3.23Å; K57-N61 PolarHBondContact O-ND2 3.26Å; Y58-N61 PolarHBondContact O-N 3.46Å; C59-N61 PolarHBondContact O-N 2.88Å; N61-R64 PolarHBondContact O-N 3.05Å; N61-R64 PolarHBondContact OD1-NH1 3.33Å; N61-S65 WeakPolarHBondContact O-CB 3.45Å; N61-S65 PolarHBondContact O-N 3.09Å; N61-S65 PolarHBondContact O-OG 3.21Å
62	L	98.1	Very high	94.9	Very high	18 Å²	18	62 Å²	62	9%	0.094	29%	0.286	C	S	.	.	H	α-helix	trans	-61.6	-50.3	175.7	-179.4	61.1	0	0	0	110.6	Y58 C59 S65 R66 A90 V93 E94 V132	Y58-L62 HydrophobicContact CE1-CB 4.5Å; Y58-L62 HydrophobicContact CE1-CD2 3.99Å; Y58-L62 WeakPolarHBondContact O-CB 3.4Å; Y58-L62 PolarHBondContact O-N 3.22Å; C59-L62 PolarHBondContact O-N 3.3Å; L62-S65 PolarHBondContact O-N 3.33Å; L62-S65 PolarHBondContact O-OG 3.16Å; L62-R66 HydrophobicContact CD1-CG 4.08Å; L62-R66 WeakPolarHBondContact O-CB 3.45Å; L62-R66 PolarHBondContact O-N 2.75Å; L62-A90 HydrophobicContact CD2-CB 4.18Å; L62-V93 HydrophobicContact CD1-CG1 3.86Å; L62-V93 HydrophobicContact CD2-CG1 4.23Å; L62-V93 HydrophobicContact CG-CB 4.47Å; L62-V93 HydrophobicContact CG-CG1 3.86Å; L62-E94 HydrophobicContact CD2-CG 3.94Å; L62-E94 WeakPolarHBondContact CD2-OE1 3.42Å; L62-V132 HydrophobicContact CD2-CG2 4.36Å
63	V	98.3	Very high	95.9	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.8	-45.2	177.8	-176.9	0	0	0	0	110.4	C59 S65 R66 D67 F71 L86 R89 A90	C59-V63 VanDerWaalsContact O-CG2 3.3Å; C59-V63 WeakPolarHBondContact O-CG2 3.43Å; C59-V63 PolarHBondContact O-N 3.47Å; V63-S65 VanDerWaalsContact C-N 3.25Å; V63-S65 PolarHBondContact O-N 3.25Å; V63-R66 PolarHBondContact O-N 3.23Å; V63-D67 HydrophobicContact CG1-CB 4.07Å; V63-D67 CarbonylContact O-C 3.59Å; V63-D67 VanDerWaalsContact O-CA 3.31Å; V63-D67 WeakPolarHBondContact O-CA 3.49Å; V63-D67 PolarHBondContact O-N 3.26Å; V63-F71 HydrophobicContact CG1-CB 3.93Å; V63-L86 HydrophobicContact CB-CD2 4.16Å; V63-L86 HydrophobicContact CG1-CD2 4.15Å; V63-L86 HydrophobicContact CG2-CD2 4.4Å; V63-L86 WeakPolarHBondContact CG2-O 3.46Å; V63-R89 HydrophobicContact CG1-CB 3.96Å; V63-R89 HydrophobicContact CG2-CB 3.74Å; V63-A90 HydrophobicContact CG2-CB 3.89Å
64	R	97.6	Very high	96.5	Very high	107 Å²	107	52.2 Å²	52.2	40%	0.404	24%	0.239	S	C	.	.	H	α-helix	trans	-56	-39.3	178.2	-178	-176.9	-69.4	152.1	-11.3	113.2	L60 N61 F71	L60-R64 VanDerWaalsContact CD2-CZ 3.4Å; L60-R64 VanDerWaalsContact O-CB 3.27Å; L60-R64 WeakPolarHBondContact O-CB 3.41Å; L60-R64 PolarHBondContact O-N 3.18Å; N61-R64 PolarHBondContact O-N 3.05Å; N61-R64 PolarHBondContact OD1-NH1 3.33Å; R64-F71 HydrophobicContact CB-CD1 4.32Å; R64-F71 HydrophobicContact CB-CD2 3.94Å; R64-F71 HydrophobicContact CB-CE2 4.25Å; R64-F71 HydrophobicContact CB-CG 4.01Å; R64-F71 HydrophobicContact CG-CD1 4.14Å; R64-F71 HydrophobicContact CG-CE1 4.19Å; R64-F71 HydrophobicContact CG-CG 4.34Å; R64-F71 HydrophobicContact CG-CZ 4.44Å; R64-F71 VanDerWaalsContact NE-CZ 3.32Å
65	S	96.9	Very high	96.6	Very high	72 Å²	72	50 Å²	50	50%	0.503	23%	0.231	S	C	.	.	H	α-helix	trans	-81.4	-32.4	-177.2	56.6	0	0	0	0	113.4	N61 L62 V63	N61-S65 WeakPolarHBondContact O-CB 3.45Å; N61-S65 PolarHBondContact O-N 3.09Å; N61-S65 PolarHBondContact O-OG 3.21Å; L62-S65 PolarHBondContact O-N 3.33Å; L62-S65 PolarHBondContact O-OG 3.16Å; V63-S65 VanDerWaalsContact C-N 3.25Å; V63-S65 PolarHBondContact O-N 3.25Å
66	R	96.1	Very high	96.6	Very high	166 Å²	166	51.9 Å²	51.9	63%	0.626	24%	0.24	S	C	*	.	H	α-helix	trans	-114.3	-24.5	-168.4	-59.6	-67.6	-166.8	153.9	2.3	114.9	L62 V63 V93	L62-R66 HydrophobicContact CD1-CG 4.08Å; L62-R66 WeakPolarHBondContact O-CB 3.45Å; L62-R66 PolarHBondContact O-N 2.75Å; V63-R66 PolarHBondContact O-N 3.23Å; R66-V93 HydrophobicContact CB-CG1 3.55Å; R66-V93 HydrophobicContact CB-CG2 4.28Å; R66-V93 HydrophobicContact CG-CG1 4.03Å
67	D	96.4	Very high	96.6	Very high	31 Å²	31	49.1 Å²	49.1	17%	0.166	23%	0.227	C	C	.	.			trans	-134.7	66.8	175.4	178.5	17.1	0	0	0	109.1	V63 E69 G70 F71 R89 V93	V63-D67 HydrophobicContact CG1-CB 4.07Å; V63-D67 CarbonylContact O-C 3.59Å; V63-D67 VanDerWaalsContact O-CA 3.31Å; V63-D67 WeakPolarHBondContact O-CA 3.49Å; V63-D67 PolarHBondContact O-N 3.26Å; D67-E69 VanDerWaalsContact C-N 3.29Å; D67-E69 PolarHBondContact O-N 3.44Å; D67-G70 PolarHBondContact O-N 3.16Å; D67-G70 WeakPolarHBondContact OD1-CA 3.42Å; D67-G70 PolarHBondContact OD1-N 3.32Å; D67-G70 WeakPolarHBondContact OD2-CA 3.21Å; D67-F71 WeakPolarHBondContact O-CB 3.18Å; D67-F71 PolarHBondContact O-N 3.42Å; D67-R89 IonicContact OD2-CZ 3.13Å; D67-R89 IonicContact OD2-NH1 3.27Å; D67-R89 PolarHBondContact OD2-NH1 3.09Å; D67-V93 HydrophobicContact CB-CG2 3.83Å
68	Y	95.7	Very high	96.4	Very high	78 Å²	78	45.4 Å²	45.4	31%	0.306	22%	0.217	S	C	.	.	H	α-helix	trans	-62.4	-36.9	-176	-178.4	-107.1	0	0	0	112.5	F71 L72	Y68-F71 HydrophobicContact CD2-CD1 4.3Å; Y68-F71 HydrophobicContact CE2-CD1 4.34Å; Y68-F71 WeakPolarHBondContact O-CB 3.5Å; Y68-F71 PolarHBondContact O-N 3.48Å; Y68-L72 HydrophobicContact CD1-CD1 4.08Å; Y68-L72 HydrophobicContact CD1-CG 4.46Å; Y68-L72 HydrophobicContact CE1-CD1 3.54Å; Y68-L72 HydrophobicContact CE1-CG 4.07Å; Y68-L72 HydrophobicContact CE2-CD2 4.41Å; Y68-L72 HydrophobicContact CE2-CG 4.44Å; Y68-L72 WeakPolarHBondContact O-CG 3.46Å; Y68-L72 PolarHBondContact O-N 3.21Å
69	E	95	Very high	96.3	Very high	52 Å²	52	48.4 Å²	48.4	24%	0.243	24%	0.235	C	C	.	.	H	α-helix	trans	-66.2	-43.1	178.4	-61.4	176.4	154.1	0	0	110.7	D67 S73 R217 V292 L319	D67-E69 VanDerWaalsContact C-N 3.29Å; D67-E69 PolarHBondContact O-N 3.44Å; E69-S73 PolarHBondContact O-N 3.13Å; E69-S73 VanDerWaalsContact O-N 3.09Å; E69-S73 PolarHBondContact O-OG 2.9Å; E69-R217 IonicContact OE1-NH1 3.35Å; E69-R217 IonicContact OE2-CZ 2.68Å; E69-R217 IonicContact OE2-NH1 3.32Å; E69-R217 PolarHBondContact OE2-NH1 3.32Å; E69-R217 IonicContact OE2-NH2 3.85Å; E69-V292 HydrophobicContact CB-CG1 4.16Å; E69-V292 HydrophobicContact CB-CG2 3.94Å; E69-V292 HydrophobicContact CG-CG1 4.01Å; E69-V292 HydrophobicContact CG-CG2 4.31Å; E69-V292 WeakPolarHBondContact OE1-CG1 3.38Å; E69-V292 WeakPolarHBondContact OE2-CG1 3.23Å; E69-L319 HydrophobicContact CB-CD2 4.49Å; E69-L319 HydrophobicContact CG-CD2 3.89Å
70	G	95.8	Very high	96.1	Very high	2 Å²	2	55 Å²	55	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-67.3	-37.2	171.7	0	0	0	0	0	113.8	D67 S73 C74 R89	D67-G70 PolarHBondContact O-N 3.16Å; D67-G70 WeakPolarHBondContact OD1-CA 3.42Å; D67-G70 PolarHBondContact OD1-N 3.32Å; D67-G70 WeakPolarHBondContact OD2-CA 3.21Å; G70-S73 PolarHBondContact O-N 3.29Å; G70-C74 PolarHBondContact O-N 3.16Å; G70-C74 PolarHBondContact O-SG 2.97Å; G70-C74 VanDerWaalsContact O-SG 3.42Å; G70-R89 VanDerWaalsContact CA-NH1 3.26Å; G70-R89 PolarHBondContact O-NE 3.21Å
71	F	97.2	Very high	96	Very high	13 Å²	13	53.1 Å²	53.1	6%	0.057	26%	0.256	C	S	.	.	H	α-helix	trans	-57.5	-50.9	173.3	169.5	-103.1	0	0	0	111	L60 V63 R64 D67 Y68 S73 C74 L75 L86	L60-F71 HydrophobicContact CD2-CE2 4.33Å; L60-F71 HydrophobicContact CG-CE2 4.14Å; V63-F71 HydrophobicContact CG1-CB 3.93Å; R64-F71 HydrophobicContact CB-CD1 4.32Å; R64-F71 HydrophobicContact CB-CD2 3.94Å; R64-F71 HydrophobicContact CB-CE2 4.25Å; R64-F71 HydrophobicContact CB-CG 4.01Å; R64-F71 HydrophobicContact CG-CD1 4.14Å; R64-F71 HydrophobicContact CG-CE1 4.19Å; R64-F71 HydrophobicContact CG-CG 4.34Å; R64-F71 HydrophobicContact CG-CZ 4.44Å; R64-F71 VanDerWaalsContact NE-CZ 3.32Å; D67-F71 WeakPolarHBondContact O-CB 3.18Å; D67-F71 PolarHBondContact O-N 3.42Å; Y68-F71 HydrophobicContact CD2-CD1 4.3Å; Y68-F71 HydrophobicContact CE2-CD1 4.34Å; Y68-F71 WeakPolarHBondContact O-CB 3.5Å; Y68-F71 PolarHBondContact O-N 3.48Å; F71-S73 VanDerWaalsContact C-N 3.31Å; F71-S73 PolarHBondContact O-N 3.14Å; F71-C74 PolarHBondContact O-N 2.77Å; F71-L75 HydrophobicContact CD1-CD1 4.4Å; F71-L75 HydrophobicContact CE1-CD1 3.7Å; F71-L75 HydrophobicContact CE1-CG 4.37Å; F71-L75 HydrophobicContact CE2-CD1 4.49Å; F71-L75 HydrophobicContact CE2-CD2 4.19Å; F71-L75 HydrophobicContact CE2-CG 4.4Å; F71-L75 HydrophobicContact CZ-CD1 3.73Å; F71-L75 HydrophobicContact CZ-CD2 4.08Å; F71-L75 HydrophobicContact CZ-CG 4.11Å; F71-L75 WeakPolarHBondContact O-CG 3.42Å; F71-L75 PolarHBondContact O-N 3.01Å; F71-L86 HydrophobicContact CD2-CD2 4.19Å
72	L	96.1	Very high	95.9	Very high	19 Å²	19	54 Å²	54	10%	0.099	25%	0.254	C	S	.	.	H	α-helix	trans	-59.8	-42.1	177.1	-69.1	178.2	0	0	0	111.8	Y68 C74 L75 L319 P320 L323	Y68-L72 HydrophobicContact CD1-CD1 4.08Å; Y68-L72 HydrophobicContact CD1-CG 4.46Å; Y68-L72 HydrophobicContact CE1-CD1 3.54Å; Y68-L72 HydrophobicContact CE1-CG 4.07Å; Y68-L72 HydrophobicContact CE2-CD2 4.41Å; Y68-L72 HydrophobicContact CE2-CG 4.44Å; Y68-L72 WeakPolarHBondContact O-CG 3.46Å; Y68-L72 PolarHBondContact O-N 3.21Å; L72-C74 VanDerWaalsContact C-N 3.34Å; L72-C74 PolarHBondContact O-N 2.72Å; L72-L75 PolarHBondContact O-N 2.98Å; L72-L319 HydrophobicContact CD1-CD2 4.3Å; L72-P320 HydrophobicContact CD1-CB 4.42Å; L72-P320 HydrophobicContact CD1-CG 3.86Å; L72-L323 HydrophobicContact CB-CD1 3.7Å; L72-L323 HydrophobicContact CD1-CD1 4.17Å
73	S	95.4	Very high	95.9	Very high	3 Å²	3	57 Å²	57	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-61.7	-41.7	177.3	-56.8	0	0	0	0	111.6	E69 G70 F71 L75 L76	E69-S73 PolarHBondContact O-N 3.13Å; E69-S73 VanDerWaalsContact O-N 3.09Å; E69-S73 PolarHBondContact O-OG 2.9Å; G70-S73 PolarHBondContact O-N 3.29Å; F71-S73 VanDerWaalsContact C-N 3.31Å; F71-S73 PolarHBondContact O-N 3.14Å; S73-L75 VanDerWaalsContact C-N 3.31Å; S73-L75 PolarHBondContact O-N 3.27Å; S73-L76 PolarHBondContact O-N 3.13Å
74	C	95.9	Very high	95.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.7	-34.1	177.3	-76.9	0	0	0	0	113.3	G70 F71 L72 L76 L77 R82 L86 R89	G70-C74 PolarHBondContact O-N 3.16Å; G70-C74 PolarHBondContact O-SG 2.97Å; G70-C74 VanDerWaalsContact O-SG 3.42Å; F71-C74 PolarHBondContact O-N 2.77Å; L72-C74 VanDerWaalsContact C-N 3.34Å; L72-C74 PolarHBondContact O-N 2.72Å; C74-L76 PolarHBondContact O-N 3.07Å; C74-L77 HydrophobicContact CB-CD1 4.47Å; C74-L77 WeakPolarHBondContact O-CB 3.23Å; C74-L77 PolarHBondContact O-N 3.5Å; C74-L77 VanDerWaalsContact O-N 3.16Å; C74-R82 WeakPolarHBondContact O-CG 3.47Å; C74-L86 HydrophobicContact CB-CD2 3.89Å; C74-L86 HydrophobicContact CB-CG 4.05Å; C74-R89 WeakPolarHBondContact SG-CD 3.3Å; C74-R89 PolarHBondContact SG-NE 3.3Å; C74-R89 VanDerWaalsContact SG-NE 3.36Å
75	L	95.1	Very high	95.8	Very high	73 Å²	73	52.3 Å²	52.3	38%	0.382	25%	0.247	S	C	.	.	H	α-helix	trans	-63.5	-24	178	-65.6	179.2	0	0	0	113	F71 L72 S73 R82	F71-L75 HydrophobicContact CD1-CD1 4.4Å; F71-L75 HydrophobicContact CE1-CD1 3.7Å; F71-L75 HydrophobicContact CE1-CG 4.37Å; F71-L75 HydrophobicContact CE2-CD1 4.49Å; F71-L75 HydrophobicContact CE2-CD2 4.19Å; F71-L75 HydrophobicContact CE2-CG 4.4Å; F71-L75 HydrophobicContact CZ-CD1 3.73Å; F71-L75 HydrophobicContact CZ-CD2 4.08Å; F71-L75 HydrophobicContact CZ-CG 4.11Å; F71-L75 WeakPolarHBondContact O-CG 3.42Å; F71-L75 PolarHBondContact O-N 3.01Å; L72-L75 PolarHBondContact O-N 2.98Å; S73-L75 VanDerWaalsContact C-N 3.31Å; S73-L75 PolarHBondContact O-N 3.27Å; L75-R82 PolarHBondContact O-NH2 2.85Å
76	L	94.9	Very high	95.9	Very high	48 Å²	48	49.4 Å²	49.4	25%	0.251	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	1.4	-179.6	-60.9	174.1	0	0	0	113.1	S73 C74 L288 L323 Y324	S73-L76 PolarHBondContact O-N 3.13Å; C74-L76 PolarHBondContact O-N 3.07Å; L76-L288 HydrophobicContact CB-CD1 3.61Å; L76-L288 HydrophobicContact CD1-CD1 4.05Å; L76-L288 HydrophobicContact CG-CD1 4.49Å; L76-L323 HydrophobicContact CD1-CB 3.74Å; L76-Y324 HydrophobicContact CD2-CD2 4.25Å
77	L	94.8	Very high	96	Very high	11 Å²	11	41.6 Å²	41.6	6%	0.058	20%	0.197	C	C	.	.	S	Bend	trans	-79.6	156.9	173.6	-57.9	-179.3	0	0	0	111.1	C74 R82 S85 L191 P285	C74-L77 HydrophobicContact CB-CD1 4.47Å; C74-L77 WeakPolarHBondContact O-CB 3.23Å; C74-L77 PolarHBondContact O-N 3.5Å; C74-L77 VanDerWaalsContact O-N 3.16Å; L77-R82 PolarHBondContact O-NH2 2.62Å; L77-S85 VanDerWaalsContact CD1-CB 3.41Å; L77-S85 WeakPolarHBondContact CD1-OG 3.3Å; L77-L191 HydrophobicContact CD2-CD2 4.31Å; L77-P285 HydrophobicContact CD2-CB 3.41Å; L77-P285 VanDerWaalsContact CD2-CB 3.41Å; L77-P285 WeakPolarHBondContact CD2-O 3.39Å
78	P	94.7	Very high	96.1	Very high	58 Å²	58	40.1 Å²	40.1	38%	0.377	19%	0.189	S	C	.	.			trans	-50.3	148.5	167.1	-24.6	34.3	0	0	0	111.7	E80 A81 R82 L191	P78-E80 VanDerWaalsContact CB-OE2 3.3Å; P78-E80 WeakPolarHBondContact CB-OE2 3.39Å; P78-E80 PolarHBondContact O-N 2.96Å; P78-A81 PolarHBondContact O-N 2.96Å; P78-A81 VanDerWaalsContact O-N 3.09Å; P78-R82 PolarHBondContact O-N 3.29Å; P78-L191 HydrophobicContact CG-CD2 4.14Å
79	E	94	Very high	96.3	Very high	153 Å²	153	37.3 Å²	37.3	72%	0.715	18%	0.178	S	C	*	.	H	α-helix	trans	-57.7	-39.7	-174.1	-175.9	171.4	176.2	0	0	111.8	A81 R82	E79-A81 VanDerWaalsContact C-N 3.27Å; E79-A81 PolarHBondContact O-N 3.26Å; E79-R82 PolarHBondContact O-N 2.78Å
80	E	93.5	Very high	96.4	Very high	141 Å²	141	34.8 Å²	34.8	66%	0.659	17%	0.166	S	C	*	.	H	α-helix	trans	-64.5	-32	-178.7	-52.9	78.4	-171.6	0	0	112	P78	P78-E80 VanDerWaalsContact CB-OE2 3.3Å; P78-E80 WeakPolarHBondContact CB-OE2 3.39Å; P78-E80 PolarHBondContact O-N 2.96Å
81	A	96.3	Very high	96.6	Very high	2 Å²	2	34.7 Å²	34.7	2%	0.017	17%	0.165	C	C	.	.	H	α-helix	trans	-93.5	-19.8	-178.3	0	0	0	0	0	113	P78 E79 R83 S84 S85 C190 L191	P78-A81 PolarHBondContact O-N 2.96Å; P78-A81 VanDerWaalsContact O-N 3.09Å; E79-A81 VanDerWaalsContact C-N 3.27Å; E79-A81 PolarHBondContact O-N 3.26Å; A81-R83 PolarHBondContact O-N 3.46Å; A81-S84 PolarHBondContact O-N 2.94Å; A81-S85 WeakPolarHBondContact O-CB 3.44Å; A81-S85 PolarHBondContact O-N 3Å; A81-S85 PolarHBondContact O-OG 3.01Å; A81-C190 HydrophobicContact CB-CB 4.19Å; A81-C190 WeakPolarHBondContact CB-O 3.28Å; A81-L191 HydrophobicContact CB-CD2 3.8Å
82	R	96.4	Very high	96.7	Very high	88 Å²	88	34.7 Å²	34.7	33%	0.332	17%	0.166	S	C	.	.	H	α-helix	trans	-61.4	-48.8	-169	-176.2	179.4	-57.3	147.7	7.5	112.6	C74 L75 L77 P78 E79 S85 L86	C74-R82 WeakPolarHBondContact O-CG 3.47Å; L75-R82 PolarHBondContact O-NH2 2.85Å; L77-R82 PolarHBondContact O-NH2 2.62Å; P78-R82 PolarHBondContact O-N 3.29Å; E79-R82 PolarHBondContact O-N 2.78Å; R82-S85 PolarHBondContact O-N 3.06Å; R82-L86 HydrophobicContact CG-CD1 4.39Å; R82-L86 WeakPolarHBondContact O-CG 3.41Å; R82-L86 PolarHBondContact O-N 3.36Å
83	R	96.9	Very high	96.8	Very high	80 Å²	80	34.2 Å²	34.2	30%	0.302	16%	0.164	S	C	.	.	H	α-helix	trans	-63.3	-49	-178.6	-178	177.3	176.7	139.8	11	111.2	N52 E56 A81 S85 L86 A87 E135	N52-R83 PolarHBondContact O-NH2 2.99Å; E56-R83 HydrophobicContact CG-CG 4.5Å; E56-R83 IonicContact OE2-CZ 3.9Å; E56-R83 IonicContact OE2-NE 2.88Å; E56-R83 IonicContact OE2-NH1 2.84Å; E56-R83 PolarHBondContact OE2-NH1 2.97Å; E56-R83 IonicContact OE2-NH2 3.87Å; A81-R83 PolarHBondContact O-N 3.46Å; R83-S85 VanDerWaalsContact C-N 3.34Å; R83-S85 PolarHBondContact O-N 3.38Å; R83-L86 PolarHBondContact O-N 3.26Å; R83-A87 PolarHBondContact O-N 3.32Å; R83-E135 IonicContact CZ-OE1 3.49Å; R83-E135 IonicContact CZ-OE2 3.91Å; R83-E135 VanDerWaalsContact CZ-OE2 3.27Å; R83-E135 IonicContact NE-OE1 2.63Å; R83-E135 IonicContact NE-OE2 3.96Å; R83-E135 PolarHBondContact NE-OE2 3.03Å; R83-E135 VanDerWaalsContact NH2-CD 3.28Å; R83-E135 IonicContact NH2-OE1 3.95Å; R83-E135 PolarHBondContact NH2-OE1 3.12Å; R83-E135 IonicContact NH2-OE2 3.41Å; R83-E135 PolarHBondContact NH2-OE2 2.96Å
84	S	97.9	Very high	96.9	Very high	8 Å²	8	36 Å²	36	6%	0.056	17%	0.171	C	C	.	.	H	α-helix	trans	-64.6	-37.7	178.6	-62.6	0	0	0	0	112.6	A81 A87 L88 A139 H143	A81-S84 PolarHBondContact O-N 2.94Å; S84-A87 WeakPolarHBondContact O-CB 3.42Å; S84-A87 PolarHBondContact O-N 3.06Å; S84-L88 WeakPolarHBondContact O-CG 3.48Å; S84-L88 PolarHBondContact O-N 3.42Å; S84-A139 WeakPolarHBondContact OG-CA 3.23Å; S84-A139 WeakPolarHBondContact OG-CB 3.46Å; S84-H143 VanDerWaalsContact CB-CD2 3.5Å; S84-H143 WeakPolarHBondContact CB-CD2 3.49Å; S84-H143 WeakPolarHBondContact CB-NE2 3.23Å; S84-H143 PolarHBondContact OG-CD2 3.36Å; S84-H143 VanDerWaalsContact OG-CD2 3.32Å; S84-H143 PolarHBondContact OG-NE2 3.38Å; S84-H143 VanDerWaalsContact OG-NE2 3.15Å
85	S	97.8	Very high	97	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.3	-37.3	175.2	-60.4	0	0	0	0	112.5	L77 A81 R82 R83 R89 L187	L77-S85 VanDerWaalsContact CD1-CB 3.41Å; L77-S85 WeakPolarHBondContact CD1-OG 3.3Å; A81-S85 WeakPolarHBondContact O-CB 3.44Å; A81-S85 PolarHBondContact O-N 3Å; A81-S85 PolarHBondContact O-OG 3.01Å; R82-S85 PolarHBondContact O-N 3.06Å; R83-S85 VanDerWaalsContact C-N 3.34Å; R83-S85 PolarHBondContact O-N 3.38Å; S85-R89 WeakPolarHBondContact O-CG 3.16Å; S85-R89 PolarHBondContact O-N 3.38Å; S85-L187 WeakPolarHBondContact OG-CD2 3.41Å
86	L	98.3	Very high	97	Very high	12 Å²	12	34.2 Å²	34.2	6%	0.063	17%	0.167	C	C	.	.	H	α-helix	trans	-65	-39.5	171.8	-76.2	168.3	0	0	0	111.8	L60 V63 F71 C74 R82 R83 R89 A90	L60-L86 HydrophobicContact CB-CD1 4.4Å; L60-L86 HydrophobicContact CD1-CD1 4.38Å; L60-L86 HydrophobicContact CG-CD1 4.45Å; V63-L86 HydrophobicContact CB-CD2 4.16Å; V63-L86 HydrophobicContact CG1-CD2 4.15Å; V63-L86 HydrophobicContact CG2-CD2 4.4Å; V63-L86 WeakPolarHBondContact CG2-O 3.46Å; F71-L86 HydrophobicContact CD2-CD2 4.19Å; C74-L86 HydrophobicContact CB-CD2 3.89Å; C74-L86 HydrophobicContact CB-CG 4.05Å; R82-L86 HydrophobicContact CG-CD1 4.39Å; R82-L86 WeakPolarHBondContact O-CG 3.41Å; R82-L86 PolarHBondContact O-N 3.36Å; R83-L86 PolarHBondContact O-N 3.26Å; L86-R89 PolarHBondContact O-N 3.24Å; L86-A90 VanDerWaalsContact O-CB 3.3Å; L86-A90 WeakPolarHBondContact O-CB 3.32Å; L86-A90 PolarHBondContact O-N 3.21Å
87	A	98.5	Very high	97.1	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-62.4	-45.9	175.4	0	0	0	0	0	112.1	R83 S84 R89 A90 F91 E135 L136	R83-A87 PolarHBondContact O-N 3.32Å; S84-A87 WeakPolarHBondContact O-CB 3.42Å; S84-A87 PolarHBondContact O-N 3.06Å; A87-R89 VanDerWaalsContact C-N 3.35Å; A87-R89 PolarHBondContact O-N 3.23Å; A87-A90 WeakPolarHBondContact O-CB 3.42Å; A87-A90 PolarHBondContact O-N 2.89Å; A87-F91 WeakPolarHBondContact O-CB 3.34Å; A87-F91 PolarHBondContact O-N 3.31Å; A87-E135 HydrophobicContact CB-CB 3.63Å; A87-L136 HydrophobicContact CB-CD2 4.44Å
88	L	98.7	Very high	97.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.5	-41.8	175.9	-74.1	174	0	0	0	112.6	S84 F91 N92 L136 L145 L150 L183 L186 L187	S84-L88 WeakPolarHBondContact O-CG 3.48Å; S84-L88 PolarHBondContact O-N 3.42Å; L88-F91 WeakPolarHBondContact O-CB 3.45Å; L88-N92 PolarHBondContact O-N 3.09Å; L88-L136 HydrophobicContact CD2-CD2 3.93Å; L88-L145 HydrophobicContact CD1-CD1 4.38Å; L88-L145 HydrophobicContact CD2-CD1 4Å; L88-L145 HydrophobicContact CG-CD1 4.43Å; L88-L150 HydrophobicContact CD2-CD2 4Å; L88-L183 HydrophobicContact CB-CD1 3.94Å; L88-L186 HydrophobicContact CD1-CB 3.72Å; L88-L186 HydrophobicContact CD2-CB 3.99Å; L88-L186 HydrophobicContact CD2-CD1 3.98Å; L88-L186 HydrophobicContact CD2-CD2 4.45Å; L88-L186 HydrophobicContact CD2-CG 4.38Å; L88-L186 HydrophobicContact CG-CB 4.48Å; L88-L187 HydrophobicContact CD1-CD2 4.14Å
89	R	98.6	Very high	97	Very high	19 Å²	19	32.9 Å²	32.9	7%	0.072	15%	0.154	C	C	.	.	H	α-helix	trans	-68.5	-40.5	174.8	-73.7	-173.1	179.8	-79.6	-8.7	112.3	V63 D67 G70 C74 S85 L86 A87 F91 N92 V93	V63-R89 HydrophobicContact CG1-CB 3.96Å; V63-R89 HydrophobicContact CG2-CB 3.74Å; D67-R89 IonicContact OD2-CZ 3.13Å; D67-R89 IonicContact OD2-NH1 3.27Å; D67-R89 PolarHBondContact OD2-NH1 3.09Å; G70-R89 VanDerWaalsContact CA-NH1 3.26Å; G70-R89 PolarHBondContact O-NE 3.21Å; C74-R89 WeakPolarHBondContact SG-CD 3.3Å; C74-R89 PolarHBondContact SG-NE 3.3Å; C74-R89 VanDerWaalsContact SG-NE 3.36Å; S85-R89 WeakPolarHBondContact O-CG 3.16Å; S85-R89 PolarHBondContact O-N 3.38Å; L86-R89 PolarHBondContact O-N 3.24Å; A87-R89 VanDerWaalsContact C-N 3.35Å; A87-R89 PolarHBondContact O-N 3.23Å; R89-F91 VanDerWaalsContact C-N 3.3Å; R89-F91 PolarHBondContact O-N 3.14Å; R89-N92 PolarHBondContact O-N 3.41Å; R89-V93 VanDerWaalsContact O-CG2 3.32Å; R89-V93 WeakPolarHBondContact O-CG2 3.24Å; R89-V93 PolarHBondContact O-N 3.27Å
90	A	98.7	Very high	96.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59.4	-43.8	176.1	0	0	0	0	0	111	C59 L62 V63 L86 A87 V93 E94 V132	C59-A90 HydrophobicContact CB-CB 3.87Å; L62-A90 HydrophobicContact CD2-CB 4.18Å; V63-A90 HydrophobicContact CG2-CB 3.89Å; L86-A90 VanDerWaalsContact O-CB 3.3Å; L86-A90 WeakPolarHBondContact O-CB 3.32Å; L86-A90 PolarHBondContact O-N 3.21Å; A87-A90 WeakPolarHBondContact O-CB 3.42Å; A87-A90 PolarHBondContact O-N 2.89Å; A90-V93 WeakPolarHBondContact O-CB 3.38Å; A90-V93 PolarHBondContact O-N 2.71Å; A90-E94 WeakPolarHBondContact O-CG 3.31Å; A90-E94 PolarHBondContact O-N 3.49Å; A90-V132 HydrophobicContact CB-CG1 4.16Å; A90-V132 HydrophobicContact CB-CG2 4.05Å
91	F	98.8	Very high	96.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-57.7	-48.5	171.5	168.9	-110.6	0	0	0	112.9	A87 L88 R89 V93 E94 L95 W115 I119 V132 L136 L150 I153 V154	A87-F91 WeakPolarHBondContact O-CB 3.34Å; A87-F91 PolarHBondContact O-N 3.31Å; L88-F91 WeakPolarHBondContact O-CB 3.45Å; R89-F91 VanDerWaalsContact C-N 3.3Å; R89-F91 PolarHBondContact O-N 3.14Å; F91-V93 VanDerWaalsContact C-N 3.28Å; F91-V93 PolarHBondContact O-N 2.86Å; F91-E94 PolarHBondContact O-N 2.88Å; F91-L95 HydrophobicContact CD1-CD1 4.29Å; F91-L95 HydrophobicContact CD2-CD1 4.18Å; F91-L95 HydrophobicContact CD2-CG 4.27Å; F91-L95 HydrophobicContact CE1-CD1 3.7Å; F91-L95 HydrophobicContact CE2-CD1 3.59Å; F91-L95 HydrophobicContact CE2-CD2 4.32Å; F91-L95 HydrophobicContact CE2-CG 3.98Å; F91-L95 HydrophobicContact CZ-CD1 3.35Å; F91-L95 HydrophobicContact CZ-CG 4.25Å; F91-L95 WeakPolarHBondContact O-CG 3.2Å; F91-L95 PolarHBondContact O-N 3.38Å; F91-L95 VanDerWaalsContact O-N 3.08Å; F91-W115 HydrophobicContact CD2-CD2 4.2Å; F91-W115 AromaticContact CD2-CE3 3.68Å; F91-W115 HydrophobicContact CD2-CE3 3.68Å; F91-W115 HydrophobicContact CD2-CH2 4.07Å; F91-W115 AromaticContact CD2-CZ3 3.62Å; F91-W115 HydrophobicContact CD2-CZ3 3.62Å; F91-W115 HydrophobicContact CE2-CD2 4.03Å; F91-W115 AromaticContact CE2-CE3 3.59Å; F91-W115 HydrophobicContact CE2-CE3 3.59Å; F91-W115 HydrophobicContact CE2-CZ3 4.01Å; F91-I119 HydrophobicContact CE2-CD1 4.16Å; F91-I119 HydrophobicContact CZ-CD1 3.91Å; F91-V132 HydrophobicContact CB-CG1 3.93Å; F91-L136 HydrophobicContact CB-CD1 3.84Å; F91-L136 HydrophobicContact CB-CD2 3.97Å; F91-L136 HydrophobicContact CB-CG 4.21Å; F91-L136 HydrophobicContact CD2-CD1 3.68Å; F91-L136 HydrophobicContact CE2-CD1 4.36Å; F91-L136 HydrophobicContact CG-CD1 3.83Å; F91-L136 HydrophobicContact CG-CD2 4.38Å; F91-L150 HydrophobicContact CD1-CD2 3.85Å; F91-L150 HydrophobicContact CE1-CB 4.44Å; F91-L150 HydrophobicContact CE1-CD2 3.53Å; F91-L150 HydrophobicContact CZ-CB 4.41Å; F91-L150 HydrophobicContact CZ-CD2 4.1Å; F91-I153 HydrophobicContact CE1-CB 4.47Å; F91-I153 HydrophobicContact CE1-CD1 4.19Å; F91-V154 HydrophobicContact CE2-CG2 4.13Å; F91-V154 HydrophobicContact CZ-CG2 3.71Å
92	N	98.5	Very high	96.4	Very high	13 Å²	13	27 Å²	27	7%	0.07	14%	0.137	C	C	.	.	H	α-helix	trans	-61.6	-37.5	176.6	-179.7	54.7	0	0	0	112.2	L88 R89 A96 R157 L183	L88-N92 PolarHBondContact O-N 3.09Å; R89-N92 PolarHBondContact O-N 3.41Å; N92-A96 VanDerWaalsContact O-CB 3.22Å; N92-A96 WeakPolarHBondContact O-CB 3.4Å; N92-A96 PolarHBondContact O-N 3.34Å; N92-R157 PolarHBondContact OD1-NH2 3.02Å; N92-R157 VanDerWaalsContact OD1-NH2 3.08Å; N92-L183 HydrophobicContact CB-CD1 4.47Å; N92-L183 HydrophobicContact CB-CD2 4.04Å
93	V	98.4	Very high	96	Very high	9 Å²	9	29 Å²	29	6%	0.055	17%	0.165	C	C	.	.	H	α-helix	trans	-63.7	-48.1	176	167.8	0	0	0	0	111.4	L62 R66 D67 R89 A90 F91 L95 A96 Q97	L62-V93 HydrophobicContact CD1-CG1 3.86Å; L62-V93 HydrophobicContact CD2-CG1 4.23Å; L62-V93 HydrophobicContact CG-CB 4.47Å; L62-V93 HydrophobicContact CG-CG1 3.86Å; R66-V93 HydrophobicContact CB-CG1 3.55Å; R66-V93 HydrophobicContact CB-CG2 4.28Å; R66-V93 HydrophobicContact CG-CG1 4.03Å; D67-V93 HydrophobicContact CB-CG2 3.83Å; R89-V93 VanDerWaalsContact O-CG2 3.32Å; R89-V93 WeakPolarHBondContact O-CG2 3.24Å; R89-V93 PolarHBondContact O-N 3.27Å; A90-V93 WeakPolarHBondContact O-CB 3.38Å; A90-V93 PolarHBondContact O-N 2.71Å; F91-V93 VanDerWaalsContact C-N 3.28Å; F91-V93 PolarHBondContact O-N 2.86Å; V93-L95 VanDerWaalsContact C-N 3.34Å; V93-L95 PolarHBondContact O-N 3.32Å; V93-A96 PolarHBondContact O-N 2.8Å; V93-Q97 VanDerWaalsContact O-CG 3.29Å; V93-Q97 WeakPolarHBondContact O-CG 3.42Å; V93-Q97 PolarHBondContact O-N 3.25Å; V93-Q97 VanDerWaalsContact O-N 3.09Å
94	E	97.9	Very high	95.8	Very high	39 Å²	39	31.1 Å²	31.1	18%	0.182	18%	0.178	C	C	.	.	H	α-helix	trans	-55.3	-50.1	176.8	-76.5	-69.9	168.7	0	0	111.1	Y58 L62 A90 F91 A96 Q97 V98 W115 V132	Y58-E94 PolarHBondContact OH-OE1 3.15Å; L62-E94 HydrophobicContact CD2-CG 3.94Å; L62-E94 WeakPolarHBondContact CD2-OE1 3.42Å; A90-E94 WeakPolarHBondContact O-CG 3.31Å; A90-E94 PolarHBondContact O-N 3.49Å; F91-E94 PolarHBondContact O-N 2.88Å; E94-A96 PolarHBondContact O-N 3.42Å; E94-Q97 PolarHBondContact O-N 3Å; E94-V98 WeakPolarHBondContact O-CG2 3.5Å; E94-V98 PolarHBondContact O-N 3.47Å; E94-W115 HydrophobicContact CB-CZ2 3.68Å; E94-W115 HydrophobicContact CG-CZ2 3.88Å; E94-V132 HydrophobicContact CG-CG2 4.19Å
95	L	98.2	Very high	95.5	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-65.9	-40.6	179.8	-63.8	179.3	0	0	0	112.9	F91 V93 Q97 V98 M112 W115 I153 V154 R157	F91-L95 HydrophobicContact CD1-CD1 4.29Å; F91-L95 HydrophobicContact CD2-CD1 4.18Å; F91-L95 HydrophobicContact CD2-CG 4.27Å; F91-L95 HydrophobicContact CE1-CD1 3.7Å; F91-L95 HydrophobicContact CE2-CD1 3.59Å; F91-L95 HydrophobicContact CE2-CD2 4.32Å; F91-L95 HydrophobicContact CE2-CG 3.98Å; F91-L95 HydrophobicContact CZ-CD1 3.35Å; F91-L95 HydrophobicContact CZ-CG 4.25Å; F91-L95 WeakPolarHBondContact O-CG 3.2Å; F91-L95 PolarHBondContact O-N 3.38Å; F91-L95 VanDerWaalsContact O-N 3.08Å; V93-L95 VanDerWaalsContact C-N 3.34Å; V93-L95 PolarHBondContact O-N 3.32Å; L95-Q97 PolarHBondContact O-N 2.97Å; L95-V98 PolarHBondContact O-N 2.99Å; L95-M112 HydrophobicContact CD2-SD 4Å; L95-W115 HydrophobicContact CD2-CB 3.87Å; L95-W115 HydrophobicContact CD2-CD2 4.1Å; L95-W115 HydrophobicContact CD2-CG 3.48Å; L95-W115 VanDerWaalsContact CD2-CG 3.48Å; L95-I153 HydrophobicContact CD1-CB 4.34Å; L95-I153 HydrophobicContact CD1-CG2 3.63Å; L95-V154 HydrophobicContact CD1-CG2 3.75Å; L95-V154 HydrophobicContact CD2-CG2 4.09Å; L95-R157 VanDerWaalsContact CB-CD 3.43Å
96	A	96.1	Very high	95.4	Very high	35 Å²	35	40 Å²	40	29%	0.289	22%	0.223	S	C	.	.	H	α-helix	trans	-62.8	-34.2	179.9	0	0	0	0	0	112.5	N92 V93 E94	N92-A96 VanDerWaalsContact O-CB 3.22Å; N92-A96 WeakPolarHBondContact O-CB 3.4Å; N92-A96 PolarHBondContact O-N 3.34Å; V93-A96 PolarHBondContact O-N 2.8Å; E94-A96 PolarHBondContact O-N 3.42Å
97	Q	95.4	Very high	95.3	Very high	45 Å²	45	42.4 Å²	42.4	21%	0.21	24%	0.236	C	C	.	.	H	α-helix	trans	-79.9	-15.2	-178	-71.7	177.2	13.5	0	0	114	V93 E94 L95 K99 D100 S101	V93-Q97 VanDerWaalsContact O-CG 3.29Å; V93-Q97 WeakPolarHBondContact O-CG 3.42Å; V93-Q97 PolarHBondContact O-N 3.25Å; V93-Q97 VanDerWaalsContact O-N 3.09Å; E94-Q97 PolarHBondContact O-N 3Å; L95-Q97 PolarHBondContact O-N 2.97Å; Q97-K99 VanDerWaalsContact C-N 3.28Å; Q97-K99 PolarHBondContact O-N 3.37Å; Q97-D100 PolarHBondContact O-N 2.93Å; Q97-D100 VanDerWaalsContact O-N 3.16Å; Q97-S101 VanDerWaalsContact O-CB 3.23Å; Q97-S101 WeakPolarHBondContact O-CB 3.43Å; Q97-S101 PolarHBondContact O-N 3.45Å; Q97-S101 PolarHBondContact O-OG 3.44Å
98	V	96.2	Very high	95.2	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.018	24%	0.235	C	C	.	.	H	α-helix	trans	-54.4	-48.2	-177	176	0	0	0	0	110.6	E94 L95 D100 S101 V102 R111 M112 L161	E94-V98 WeakPolarHBondContact O-CG2 3.5Å; E94-V98 PolarHBondContact O-N 3.47Å; L95-V98 PolarHBondContact O-N 2.99Å; V98-D100 VanDerWaalsContact C-N 3.31Å; V98-D100 PolarHBondContact O-N 3.34Å; V98-S101 PolarHBondContact O-N 3.03Å; V98-S101 PolarHBondContact O-OG 2.69Å; V98-V102 HydrophobicContact CG1-CG1 4.44Å; V98-V102 VanDerWaalsContact O-CG2 3.25Å; V98-V102 WeakPolarHBondContact O-CG2 3.43Å; V98-V102 PolarHBondContact O-N 2.9Å; V98-R111 HydrophobicContact CG1-CB 4.08Å; V98-R111 HydrophobicContact CG2-CB 4.25Å; V98-M112 HydrophobicContact CB-CE 3.66Å; V98-M112 HydrophobicContact CG1-CE 3.85Å; V98-M112 HydrophobicContact CG2-CE 3.9Å; V98-L161 HydrophobicContact CG1-CD2 4.31Å
99	K	91.6	Very high	95.2	Very high	41 Å²	41	45.4 Å²	45.4	18%	0.178	25%	0.251	C	S	.	.	H	α-helix	trans	-60	-38.4	-178.5	-169.5	177.4	-171.8	174.5	0	113.1	Q97 D160 L161 D163 Y229	Q97-K99 VanDerWaalsContact C-N 3.28Å; Q97-K99 PolarHBondContact O-N 3.37Å; K99-D160 WeakPolarHBondContact CD-OD2 3.39Å; K99-D160 WeakPolarHBondContact CE-O 3.1Å; K99-D160 PolarHBondContact NZ-O 3.19Å; K99-D160 IonicContact NZ-OD1 2.87Å; K99-D160 PolarHBondContact NZ-OD1 2.87Å; K99-D160 IonicContact NZ-OD2 3.52Å; K99-D160 PolarHBondContact NZ-OD2 3.06Å; K99-L161 HydrophobicContact CB-CD2 4.17Å; K99-L161 HydrophobicContact CG-CD2 4.42Å; K99-D163 WeakPolarHBondContact CE-OD1 3.31Å; K99-D163 IonicContact NZ-OD1 3.12Å; K99-Y229 WeakPolarHBondContact CE-OH 3.35Å
100	D	89.9	Confident	95.2	Very high	84 Å²	84	50 Å²	50	45%	0.449	28%	0.275	S	S	.	.	H	α-helix	trans	-84.6	-18	-179	-79.2	-53.3	0	0	0	114.3	Q97 V98 Y221 R225	Q97-D100 PolarHBondContact O-N 2.93Å; Q97-D100 VanDerWaalsContact O-N 3.16Å; V98-D100 VanDerWaalsContact C-N 3.31Å; V98-D100 PolarHBondContact O-N 3.34Å; D100-Y221 VanDerWaalsContact CG-OH 3.27Å; D100-Y221 PolarHBondContact OD1-OH 2.99Å; D100-R225 IonicContact OD1-NH1 2.9Å
101	S	90.9	Very high	95.1	Very high	61 Å²	61	55.1 Å²	55.1	43%	0.427	29%	0.294	S	S	.	.	H	α-helix	trans	-104.7	-0.8	-171.6	62.4	0	0	0	0	114.5	Q97 V98 R111	Q97-S101 VanDerWaalsContact O-CB 3.23Å; Q97-S101 WeakPolarHBondContact O-CB 3.43Å; Q97-S101 PolarHBondContact O-N 3.45Å; Q97-S101 PolarHBondContact O-OG 3.44Å; V98-S101 PolarHBondContact O-N 3.03Å; V98-S101 PolarHBondContact O-OG 2.69Å; S101-R111 PolarHBondContact OG-NH1 2.96Å
102	V	91.6	Very high	95.1	Very high	27 Å²	27	55.2 Å²	55.2	16%	0.164	30%	0.295	C	S	.	.			trans	-121.7	139	179.1	-55.4	0	0	0	0	110.8	V98 I107	V98-V102 HydrophobicContact CG1-CG1 4.44Å; V98-V102 VanDerWaalsContact O-CG2 3.25Å; V98-V102 WeakPolarHBondContact O-CG2 3.43Å; V98-V102 PolarHBondContact O-N 2.9Å; V102-I107 HydrophobicContact CB-CB 4.29Å; V102-I107 HydrophobicContact CB-CG2 4.23Å; V102-I107 HydrophobicContact CG1-CB 4.32Å; V102-I107 HydrophobicContact CG1-CG2 3.78Å
103	S	86.5	Confident	95.1	Very high	131 Å²	131	59.2 Å²	59.2	92%	0.916	31%	0.313	S	S	*	.	S	Bend	trans	-88.8	-26.1	176.7	-47.8	0	0	0	0	113
104	Q	92.4	Very high	95.1	Very high	123 Å²	123	62.9 Å²	62.9	58%	0.575	33%	0.328	S	S	*	.	S	Bend	trans	-116.2	131.9	-178.5	-61.7	-175.2	30.9	0	0	110.3	T106 I107 G108	Q104-T106 PolarHBondContact O-N 2.78Å; Q104-I107 HydrophobicContact CB-CD1 4.09Å; Q104-I107 HydrophobicContact CB-CG1 4.18Å; Q104-I107 HydrophobicContact CG-CD1 4.49Å; Q104-I107 WeakPolarHBondContact O-CB 3.5Å; Q104-I107 PolarHBondContact O-N 2.74Å; Q104-G108 PolarHBondContact O-N 3.26Å
105	K	93.4	Very high	95.1	Very high	107 Å²	107	61.4 Å²	61.4	47%	0.465	32%	0.321	S	S	.	.	H	α-helix	trans	-52	-41	177.9	-176.7	-176.9	-179.9	-174.4	0	112.5	I107 G108 L109 D162	K105-I107 VanDerWaalsContact C-N 3.26Å; K105-I107 PolarHBondContact O-N 3.01Å; K105-G108 WeakPolarHBondContact O-CA 3.5Å; K105-G108 PolarHBondContact O-N 2.71Å; K105-L109 HydrophobicContact CG-CD1 4.25Å; K105-L109 HydrophobicContact CG-CG 4.34Å; K105-L109 WeakPolarHBondContact O-CG 3.44Å; K105-L109 PolarHBondContact O-N 3Å; K105-D162 WeakPolarHBondContact CE-OD1 3.35Å; K105-D162 IonicContact NZ-OD1 2.55Å; K105-D162 PolarHBondContact NZ-OD1 3.39Å
106	T	95.4	Very high	95.1	Very high	88 Å²	88	63.2 Å²	63.2	54%	0.54	33%	0.329	S	S	.	.	H	α-helix	trans	-56.8	-39	178.3	-49.1	0	0	0	0	112.4	Q104 L109 M110	Q104-T106 PolarHBondContact O-N 2.78Å; T106-L109 PolarHBondContact O-N 3.18Å; T106-M110 WeakPolarHBondContact O-CG 3.27Å; T106-M110 PolarHBondContact O-N 2.88Å
107	I	96.1	Very high	95.3	Very high	62 Å²	62	64.1 Å²	64.1	32%	0.318	33%	0.331	S	S	.	.	H	α-helix	trans	-68.5	-40.2	176.9	-58.3	172.8	0	0	0	110.6	V102 Q104 K105 M110 R111	V102-I107 HydrophobicContact CB-CB 4.29Å; V102-I107 HydrophobicContact CB-CG2 4.23Å; V102-I107 HydrophobicContact CG1-CB 4.32Å; V102-I107 HydrophobicContact CG1-CG2 3.78Å; Q104-I107 HydrophobicContact CB-CD1 4.09Å; Q104-I107 HydrophobicContact CB-CG1 4.18Å; Q104-I107 HydrophobicContact CG-CD1 4.49Å; Q104-I107 WeakPolarHBondContact O-CB 3.5Å; Q104-I107 PolarHBondContact O-N 2.74Å; K105-I107 VanDerWaalsContact C-N 3.26Å; K105-I107 PolarHBondContact O-N 3.01Å; I107-M110 HydrophobicContact CB-CE 4.23Å; I107-M110 HydrophobicContact CG1-CE 3.93Å; I107-M110 PolarHBondContact O-N 3.35Å; I107-R111 PolarHBondContact O-N 3.27Å
108	G	97.1	Very high	95.4	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-58.6	-46.4	172.3	0	0	0	0	0	112.2	Q104 K105 M110 R111 M112	Q104-G108 PolarHBondContact O-N 3.26Å; K105-G108 WeakPolarHBondContact O-CA 3.5Å; K105-G108 PolarHBondContact O-N 2.71Å; G108-M110 PolarHBondContact O-N 3.26Å; G108-R111 PolarHBondContact O-N 3.17Å; G108-M112 WeakPolarHBondContact O-CG 3.33Å; G108-M112 PolarHBondContact O-N 3.47Å
109	L	97.6	Very high	95.5	Very high	64 Å²	64	61.8 Å²	61.8	34%	0.335	32%	0.32	S	S	.	.	H	α-helix	trans	-61.4	-41.9	176.8	-68.4	173.4	0	0	0	112	K105 T106 R111 M112 Q113 E158 L161	K105-L109 HydrophobicContact CG-CD1 4.25Å; K105-L109 HydrophobicContact CG-CG 4.34Å; K105-L109 WeakPolarHBondContact O-CG 3.44Å; K105-L109 PolarHBondContact O-N 3Å; T106-L109 PolarHBondContact O-N 3.18Å; L109-R111 VanDerWaalsContact C-N 3.33Å; L109-R111 PolarHBondContact O-N 3.39Å; L109-M112 PolarHBondContact O-N 3.35Å; L109-Q113 WeakPolarHBondContact O-CB 3.28Å; L109-Q113 PolarHBondContact O-N 3.43Å; L109-E158 HydrophobicContact CD2-CG 3.8Å; L109-L161 HydrophobicContact CD2-CD1 4.01Å; L109-L161 HydrophobicContact CG-CD1 4.32Å
110	M	97.9	Very high	95.9	Very high	115 Å²	115	62.9 Å²	62.9	57%	0.567	33%	0.325	S	S	*	.	H	α-helix	trans	-60.7	-40.8	174.7	-72	-172.7	-66.3	0	0	112.1	T106 I107 G108 Q113 F114	T106-M110 WeakPolarHBondContact O-CG 3.27Å; T106-M110 PolarHBondContact O-N 2.88Å; I107-M110 HydrophobicContact CB-CE 4.23Å; I107-M110 HydrophobicContact CG1-CE 3.93Å; I107-M110 PolarHBondContact O-N 3.35Å; G108-M110 PolarHBondContact O-N 3.26Å; M110-Q113 PolarHBondContact O-N 3.4Å; M110-F114 PolarHBondContact O-N 3.11Å
111	R	97.8	Very high	96.3	Very high	108 Å²	108	61.7 Å²	61.7	41%	0.408	32%	0.317	S	S	.	.	H	α-helix	trans	-67.6	-40	176.1	-71.6	-175.1	177.5	-176.2	4.4	112.7	V98 S101 I107 G108 L109 Q113 F114 W115	V98-R111 HydrophobicContact CG1-CB 4.08Å; V98-R111 HydrophobicContact CG2-CB 4.25Å; S101-R111 PolarHBondContact OG-NH1 2.96Å; I107-R111 PolarHBondContact O-N 3.27Å; G108-R111 PolarHBondContact O-N 3.17Å; L109-R111 VanDerWaalsContact C-N 3.33Å; L109-R111 PolarHBondContact O-N 3.39Å; R111-Q113 VanDerWaalsContact C-N 3.32Å; R111-F114 WeakPolarHBondContact O-CB 3.36Å; R111-F114 PolarHBondContact O-N 3.13Å; R111-W115 VanDerWaalsContact O-CD1 3.26Å; R111-W115 PolarHBondContact O-N 3.33Å; R111-W115 VanDerWaalsContact O-N 3.13Å
112	M	98.1	Very high	96.6	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-64.7	-40.7	173.9	-66.1	-58.5	177.8	0	0	111	L95 V98 G108 L109 W115 K116 V154 R157 E158 L161	L95-M112 HydrophobicContact CD2-SD 4Å; V98-M112 HydrophobicContact CB-CE 3.66Å; V98-M112 HydrophobicContact CG1-CE 3.85Å; V98-M112 HydrophobicContact CG2-CE 3.9Å; G108-M112 WeakPolarHBondContact O-CG 3.33Å; G108-M112 PolarHBondContact O-N 3.47Å; L109-M112 PolarHBondContact O-N 3.35Å; M112-W115 PolarHBondContact O-N 2.95Å; M112-W115 VanDerWaalsContact O-N 3.15Å; M112-K116 WeakPolarHBondContact O-CG 3.46Å; M112-K116 PolarHBondContact O-N 2.73Å; M112-V154 HydrophobicContact CB-CG1 4.36Å; M112-V154 HydrophobicContact SD-CG1 4.25Å; M112-R157 HydrophobicContact CE-CB 3.69Å; M112-R157 HydrophobicContact SD-CB 4.35Å; M112-E158 HydrophobicContact CB-CB 4.12Å; M112-E158 HydrophobicContact CB-CG 4.22Å; M112-E158 HydrophobicContact CG-CB 3.99Å; M112-E158 HydrophobicContact CG-CG 4.37Å; M112-L161 HydrophobicContact CE-CD2 4.49Å; M112-L161 HydrophobicContact CG-CD1 4.01Å
113	Q	98.4	Very high	97	Very high	97 Å²	97	61 Å²	61	45%	0.453	30%	0.303	S	S	.	.	H	α-helix	trans	-63.6	-41.4	176	-173	57.3	37.8	0	0	112	L109 M110 R111 W115 K116 T117	L109-Q113 WeakPolarHBondContact O-CB 3.28Å; L109-Q113 PolarHBondContact O-N 3.43Å; M110-Q113 PolarHBondContact O-N 3.4Å; R111-Q113 VanDerWaalsContact C-N 3.32Å; Q113-W115 VanDerWaalsContact C-N 3.3Å; Q113-W115 PolarHBondContact O-N 3.2Å; Q113-K116 PolarHBondContact O-N 2.86Å; Q113-T117 PolarHBondContact O-N 2.75Å; Q113-T117 PolarHBondContact O-OG1 3.1Å
114	F	98.4	Very high	97.5	Very high	86 Å²	86	63.8 Å²	63.8	38%	0.377	29%	0.293	S	S	.	.	H	α-helix	trans	-53.3	-48.8	170.6	167.9	-93.9	0	0	0	110.9	M110 R111 K116 T117 A118 P128 Q130	M110-F114 PolarHBondContact O-N 3.11Å; R111-F114 WeakPolarHBondContact O-CB 3.36Å; R111-F114 PolarHBondContact O-N 3.13Å; F114-K116 PolarHBondContact O-N 3.17Å; F114-T117 PolarHBondContact O-N 3.43Å; F114-A118 HydrophobicContact CE1-CB 4.37Å; F114-A118 HydrophobicContact CZ-CB 4.43Å; F114-A118 VanDerWaalsContact O-CB 3.29Å; F114-A118 WeakPolarHBondContact O-CB 3.25Å; F114-A118 PolarHBondContact O-N 3.12Å; F114-P128 HydrophobicContact CZ-CG 4.34Å; F114-Q130 HydrophobicContact CZ-CB 4.32Å; F114-Q130 HydrophobicContact CZ-CG 4.38Å
115	W	98.6	Very high	97.7	Very high	9 Å²	9	62 Å²	62	3%	0.034	29%	0.288	C	S	.	.	H	α-helix	trans	-65.9	-36.6	180	-81.1	112.5	0	0	0	113.8	F91 E94 L95 R111 M112 Q113 A118 I119 V132 L136 V154	F91-W115 HydrophobicContact CD2-CD2 4.2Å; F91-W115 AromaticContact CD2-CE3 3.68Å; F91-W115 HydrophobicContact CD2-CE3 3.68Å; F91-W115 HydrophobicContact CD2-CH2 4.07Å; F91-W115 AromaticContact CD2-CZ3 3.62Å; F91-W115 HydrophobicContact CD2-CZ3 3.62Å; F91-W115 HydrophobicContact CE2-CD2 4.03Å; F91-W115 AromaticContact CE2-CE3 3.59Å; F91-W115 HydrophobicContact CE2-CE3 3.59Å; F91-W115 HydrophobicContact CE2-CZ3 4.01Å; E94-W115 HydrophobicContact CB-CZ2 3.68Å; E94-W115 HydrophobicContact CG-CZ2 3.88Å; L95-W115 HydrophobicContact CD2-CB 3.87Å; L95-W115 HydrophobicContact CD2-CD2 4.1Å; L95-W115 HydrophobicContact CD2-CG 3.48Å; L95-W115 VanDerWaalsContact CD2-CG 3.48Å; R111-W115 VanDerWaalsContact O-CD1 3.26Å; R111-W115 PolarHBondContact O-N 3.33Å; R111-W115 VanDerWaalsContact O-N 3.13Å; M112-W115 PolarHBondContact O-N 2.95Å; M112-W115 VanDerWaalsContact O-N 3.15Å; Q113-W115 VanDerWaalsContact C-N 3.3Å; Q113-W115 PolarHBondContact O-N 3.2Å; W115-A118 HydrophobicContact CE3-CB 4.32Å; W115-A118 PolarHBondContact O-N 2.99Å; W115-I119 WeakPolarHBondContact O-CD1 3.12Å; W115-I119 VanDerWaalsContact O-CG1 3.24Å; W115-I119 WeakPolarHBondContact O-CG1 3.47Å; W115-I119 PolarHBondContact O-N 2.85Å; W115-V132 HydrophobicContact CH2-CB 3.92Å; W115-V132 HydrophobicContact CH2-CG1 3.74Å; W115-V132 HydrophobicContact CZ3-CG1 4.46Å; W115-L136 HydrophobicContact CZ3-CD1 4.05Å; W115-V154 HydrophobicContact CB-CG1 4.14Å; W115-V154 HydrophobicContact CB-CG2 4.11Å
116	K	98.8	Very high	97.9	Very high	39 Å²	39	62.4 Å²	62.4	17%	0.17	30%	0.295	C	S	.	.	H	α-helix	trans	-59.9	-49.7	172.3	-68.5	-175.9	-177.2	163.3	0	110.8	M112 Q113 F114 I119 E120 M151 V154 E158	M112-K116 WeakPolarHBondContact O-CG 3.46Å; M112-K116 PolarHBondContact O-N 2.73Å; Q113-K116 PolarHBondContact O-N 2.86Å; F114-K116 PolarHBondContact O-N 3.17Å; K116-I119 PolarHBondContact O-N 2.95Å; K116-E120 WeakPolarHBondContact O-CG 3.42Å; K116-E120 PolarHBondContact O-N 3.43Å; K116-E120 VanDerWaalsContact O-N 3.13Å; K116-M151 HydrophobicContact CB-CE 4.01Å; K116-M151 HydrophobicContact CD-CE 4.26Å; K116-M151 HydrophobicContact CG-CE 3.75Å; K116-V154 HydrophobicContact CG-CG1 3.68Å; K116-E158 WeakPolarHBondContact CE-OE2 3.16Å; K116-E158 IonicContact NZ-OE1 2.78Å; K116-E158 PolarHBondContact NZ-OE1 3.34Å; K116-E158 IonicContact NZ-OE2 3.09Å; K116-E158 PolarHBondContact NZ-OE2 3.45Å
117	T	98.6	Very high	98	Very high	54 Å²	54	59.8 Å²	59.8	33%	0.331	28%	0.28	S	S	.	.	H	α-helix	trans	-63.8	-44.3	178.5	-56.5	0	0	0	0	111.6	Q113 F114 I119 E120 E121	Q113-T117 PolarHBondContact O-N 2.75Å; Q113-T117 PolarHBondContact O-OG1 3.1Å; F114-T117 PolarHBondContact O-N 3.43Å; T117-I119 VanDerWaalsContact C-N 3.28Å; T117-I119 PolarHBondContact O-N 3.4Å; T117-E120 WeakPolarHBondContact O-CA 3.43Å; T117-E120 WeakPolarHBondContact O-CB 3.44Å; T117-E120 PolarHBondContact O-N 2.9Å; T117-E121 HydrophobicContact CG2-CG 4.38Å; T117-E121 WeakPolarHBondContact CG2-OE1 3.37Å; T117-E121 WeakPolarHBondContact O-CB 3.33Å; T117-E121 WeakPolarHBondContact O-CG 3.47Å; T117-E121 PolarHBondContact O-N 3.34Å
118	A	98.6	Very high	98	Very high	0 Å²	0	58 Å²	58	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-58.6	-39.4	177.5	0	0	0	0	0	112	F114 W115 E121 I122 P128	F114-A118 HydrophobicContact CE1-CB 4.37Å; F114-A118 HydrophobicContact CZ-CB 4.43Å; F114-A118 VanDerWaalsContact O-CB 3.29Å; F114-A118 WeakPolarHBondContact O-CB 3.25Å; F114-A118 PolarHBondContact O-N 3.12Å; W115-A118 HydrophobicContact CE3-CB 4.32Å; W115-A118 PolarHBondContact O-N 2.99Å; A118-E121 PolarHBondContact O-N 3.18Å; A118-I122 WeakPolarHBondContact O-CB 3.15Å; A118-I122 WeakPolarHBondContact O-CD1 3.33Å; A118-I122 WeakPolarHBondContact O-CG1 3.03Å; A118-I122 PolarHBondContact O-N 2.94Å; A118-P128 HydrophobicContact CB-CG 3.68Å
119	I	98.7	Very high	97.8	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-66.5	-41.4	174.2	-67.5	161.2	0	0	0	110.7	F91 W115 K116 T117 E121 I122 Y123 K147 L150 M151 V154	F91-I119 HydrophobicContact CE2-CD1 4.16Å; F91-I119 HydrophobicContact CZ-CD1 3.91Å; W115-I119 WeakPolarHBondContact O-CD1 3.12Å; W115-I119 VanDerWaalsContact O-CG1 3.24Å; W115-I119 WeakPolarHBondContact O-CG1 3.47Å; W115-I119 PolarHBondContact O-N 2.85Å; K116-I119 PolarHBondContact O-N 2.95Å; T117-I119 VanDerWaalsContact C-N 3.28Å; T117-I119 PolarHBondContact O-N 3.4Å; I119-E121 VanDerWaalsContact C-N 3.33Å; I119-E121 PolarHBondContact O-N 2.8Å; I119-I122 PolarHBondContact O-N 3.4Å; I119-Y123 HydrophobicContact CG2-CD2 4.1Å; I119-Y123 HydrophobicContact CG2-CE2 4.07Å; I119-Y123 WeakPolarHBondContact O-CD2 3.38Å; I119-Y123 PolarHBondContact O-N 3.26Å; I119-K147 HydrophobicContact CG2-CG 3.96Å; I119-L150 HydrophobicContact CD1-CB 3.9Å; I119-L150 HydrophobicContact CG1-CB 4.36Å; I119-L150 HydrophobicContact CG2-CB 4.37Å; I119-M151 HydrophobicContact CB-SD 3.88Å; I119-M151 HydrophobicContact CD1-SD 3.72Å; I119-M151 HydrophobicContact CG1-SD 4.43Å; I119-M151 HydrophobicContact CG2-CG 3.97Å; I119-M151 HydrophobicContact CG2-SD 3.77Å; I119-V154 HydrophobicContact CD1-CG2 3.6Å
120	E	98.6	Very high	97.7	Very high	63 Å²	63	64 Å²	64	29%	0.294	30%	0.303	S	S	.	.	H	α-helix	trans	-58.2	-47	174.3	-67.4	-63	144.8	0	0	111.9	K116 T117 Y123 R124 K147	K116-E120 WeakPolarHBondContact O-CG 3.42Å; K116-E120 PolarHBondContact O-N 3.43Å; K116-E120 VanDerWaalsContact O-N 3.13Å; T117-E120 WeakPolarHBondContact O-CA 3.43Å; T117-E120 WeakPolarHBondContact O-CB 3.44Å; T117-E120 PolarHBondContact O-N 2.9Å; E120-Y123 PolarHBondContact O-N 3.07Å; E120-R124 WeakPolarHBondContact O-CG 3.46Å; E120-R124 PolarHBondContact O-N 2.87Å; E120-K147 WeakPolarHBondContact OE1-CE 3.4Å; E120-K147 IonicContact OE1-NZ 3.18Å; E120-K147 PolarHBondContact OE1-NZ 3.45Å; E120-K147 IonicContact OE2-NZ 2.94Å; E120-K147 PolarHBondContact OE2-NZ 2.96Å
121	E	98.4	Very high	97.7	Very high	60 Å²	60	59.9 Å²	59.9	28%	0.28	29%	0.285	S	S	.	.	H	α-helix	trans	-61.5	-45.7	178.1	-80.5	171.1	-179.4	0	0	112.8	T117 A118 I119 Y123 R124 D125 D126 P128	T117-E121 HydrophobicContact CG2-CG 4.38Å; T117-E121 WeakPolarHBondContact CG2-OE1 3.37Å; T117-E121 WeakPolarHBondContact O-CB 3.33Å; T117-E121 WeakPolarHBondContact O-CG 3.47Å; T117-E121 PolarHBondContact O-N 3.34Å; A118-E121 PolarHBondContact O-N 3.18Å; I119-E121 VanDerWaalsContact C-N 3.33Å; I119-E121 PolarHBondContact O-N 2.8Å; E121-Y123 VanDerWaalsContact C-N 3.27Å; E121-Y123 PolarHBondContact O-N 3.41Å; E121-R124 CarbonylContact O-C 3.38Å; E121-R124 WeakPolarHBondContact O-CA 3.37Å; E121-R124 PolarHBondContact O-N 2.82Å; E121-D125 PolarHBondContact O-N 3.34Å; E121-D126 WeakPolarHBondContact CB-O 3.48Å; E121-D126 CarbonylContact O-C 3.04Å; E121-D126 PolarHBondContact O-N 2.9Å; E121-P128 WeakPolarHBondContact OE2-CD 3.35Å
122	I	98.4	Very high	97.7	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-54.5	-43.4	174.1	-74.7	162.5	0	0	0	111.3	A118 I119 R124 D125 P127 L136 W137 V140	A118-I122 WeakPolarHBondContact O-CB 3.15Å; A118-I122 WeakPolarHBondContact O-CD1 3.33Å; A118-I122 WeakPolarHBondContact O-CG1 3.03Å; A118-I122 PolarHBondContact O-N 2.94Å; I119-I122 PolarHBondContact O-N 3.4Å; I122-R124 VanDerWaalsContact C-N 3.26Å; I122-R124 PolarHBondContact O-N 3.4Å; I122-D125 PolarHBondContact O-N 3.41Å; I122-P127 HydrophobicContact CG1-CB 3.97Å; I122-L136 HydrophobicContact CD1-CB 3.94Å; I122-L136 HydrophobicContact CD1-CD1 4.21Å; I122-W137 HydrophobicContact CG1-CB 4.22Å; I122-W137 HydrophobicContact CG2-CB 4.03Å; I122-V140 HydrophobicContact CG2-CB 4.21Å; I122-V140 HydrophobicContact CG2-CG2 3.87Å
123	Y	98.4	Very high	97.7	Very high	71 Å²	71	54.6 Å²	54.6	28%	0.278	27%	0.265	S	S	.	.	H	α-helix	trans	-79.9	-7.7	-179.7	-78.5	-101.8	0	0	0	113.4	I119 E120 E121 V140 L145 K147 L150	I119-Y123 HydrophobicContact CG2-CD2 4.1Å; I119-Y123 HydrophobicContact CG2-CE2 4.07Å; I119-Y123 WeakPolarHBondContact O-CD2 3.38Å; I119-Y123 PolarHBondContact O-N 3.26Å; E120-Y123 PolarHBondContact O-N 3.07Å; E121-Y123 VanDerWaalsContact C-N 3.27Å; E121-Y123 PolarHBondContact O-N 3.41Å; Y123-V140 HydrophobicContact CD1-CG1 4.19Å; Y123-V140 HydrophobicContact CE1-CG1 3.74Å; Y123-V140 HydrophobicContact CE2-CG1 4.15Å; Y123-V140 HydrophobicContact CE2-CG2 3.86Å; Y123-L145 PolarHBondContact OH-O 3.31Å; Y123-K147 HydrophobicContact CD1-CB 3.98Å; Y123-K147 HydrophobicContact CD1-CD 4.15Å; Y123-K147 HydrophobicContact CD1-CG 4.31Å; Y123-K147 HydrophobicContact CD2-CB 4.33Å; Y123-K147 HydrophobicContact CD2-CD 4.13Å; Y123-K147 HydrophobicContact CD2-CG 3.98Å; Y123-K147 HydrophobicContact CE1-CB 3.53Å; Y123-K147 HydrophobicContact CE1-CG 4.22Å; Y123-K147 HydrophobicContact CE2-CB 3.91Å; Y123-K147 HydrophobicContact CE2-CD 4.48Å; Y123-K147 HydrophobicContact CE2-CG 3.86Å; Y123-K147 HydrophobicContact CG-CB 4.36Å; Y123-K147 HydrophobicContact CG-CD 3.93Å; Y123-K147 HydrophobicContact CG-CG 4.19Å; Y123-K147 VanDerWaalsContact CZ-CA 3.43Å; Y123-K147 VanDerWaalsContact CZ-CB 3.48Å; Y123-K147 WeakPolarHBondContact OH-CA 3.5Å; Y123-K147 PolarHBondContact OH-N 3.4Å; Y123-L150 HydrophobicContact CE2-CD1 3.87Å
124	R	97.9	Very high	97.7	Very high	189 Å²	189	51.1 Å²	51.1	71%	0.713	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	7.9	169.1	-68.4	176.6	-170.6	-179.7	4	113.1	E120 E121 I122 D126	E120-R124 WeakPolarHBondContact O-CG 3.46Å; E120-R124 PolarHBondContact O-N 2.87Å; E121-R124 CarbonylContact O-C 3.38Å; E121-R124 WeakPolarHBondContact O-CA 3.37Å; E121-R124 PolarHBondContact O-N 2.82Å; I122-R124 VanDerWaalsContact C-N 3.26Å; I122-R124 PolarHBondContact O-N 3.4Å; R124-D126 VanDerWaalsContact C-N 3.27Å; R124-D126 PolarHBondContact O-N 3.14Å
125	D	97.4	Very high	97.7	Very high	85 Å²	85	47.2 Å²	47.2	46%	0.455	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	24.6	-179	-122.2	12.8	0	0	0	114.2	E121 I122 W137 K141	E121-D125 PolarHBondContact O-N 3.34Å; I122-D125 PolarHBondContact O-N 3.41Å; D125-W137 PolarHBondContact OD1-NE1 2.95Å; D125-K141 WeakPolarHBondContact OD1-CD 3.2Å; D125-K141 VanDerWaalsContact OD1-CE 3.25Å; D125-K141 WeakPolarHBondContact OD1-CE 3.45Å; D125-K141 IonicContact OD1-NZ 3.01Å; D125-K141 PolarHBondContact OD1-NZ 2.88Å; D125-K141 IonicContact OD2-NZ 2.71Å; D125-K141 PolarHBondContact OD2-NZ 3.36Å
126	D	97.1	Very high	97.7	Very high	116 Å²	116	46.8 Å²	46.8	62%	0.62	23%	0.232	S	C	*	.			trans	-132.1	62.5	-178.6	-173.6	29.2	0	0	0	111	E121 R124	E121-D126 WeakPolarHBondContact CB-O 3.48Å; E121-D126 CarbonylContact O-C 3.04Å; E121-D126 PolarHBondContact O-N 2.9Å; R124-D126 VanDerWaalsContact C-N 3.27Å; R124-D126 PolarHBondContact O-N 3.14Å
127	P	96.6	Very high	97.7	Very high	34 Å²	34	48.3 Å²	48.3	22%	0.221	24%	0.237	C	C	.	.			trans	-65.8	141.4	-174.5	29.3	-36.2	0	0	0	111.9	I122 W137	I122-P127 HydrophobicContact CG1-CB 3.97Å; P127-W137 HydrophobicContact CB-CB 3.8Å; P127-W137 HydrophobicContact CB-CG 4.09Å; P127-W137 HydrophobicContact CG-CB 3.88Å; P127-W137 HydrophobicContact CG-CD2 3.96Å; P127-W137 HydrophobicContact CG-CE3 4.42Å; P127-W137 HydrophobicContact CG-CG 3.68Å
128	P	96.3	Very high	97.6	Very high	24 Å²	24	47.3 Å²	47.3	16%	0.156	23%	0.228	C	C	.	.			trans	-63.6	151.9	176	26.6	-33.4	0	0	0	110.8	F114 A118 E121 Q130	F114-P128 HydrophobicContact CZ-CG 4.34Å; A118-P128 HydrophobicContact CB-CG 3.68Å; E121-P128 WeakPolarHBondContact OE2-CD 3.35Å; P128-Q130 PolarHBondContact O-N 2.9Å
129	N	93.4	Very high	97.6	Very high	159 Å²	159	47.3 Å²	47.3	85%	0.85	23%	0.228	S	C	*	.	S	Bend	trans	-72.7	74.4	178.6	-170	8.7	0	0	0	111.5
130	Q	95.4	Very high	97.6	Very high	31 Å²	31	48 Å²	48	15%	0.145	23%	0.232	C	C	.	.			trans	-142.1	130.7	177.9	-171	-81.2	-19.9	0	0	107.8	F114 P128 V132 S133 T134	F114-Q130 HydrophobicContact CZ-CB 4.32Å; F114-Q130 HydrophobicContact CZ-CG 4.38Å; P128-Q130 PolarHBondContact O-N 2.9Å; Q130-V132 VanDerWaalsContact C-N 3.32Å; Q130-V132 PolarHBondContact O-N 2.96Å; Q130-V132 VanDerWaalsContact O-N 3.15Å; Q130-V132 VanDerWaalsContact OE1-CB 3.3Å; Q130-S133 WeakPolarHBondContact O-CB 3.27Å; Q130-S133 PolarHBondContact O-N 3.39Å; Q130-S133 VanDerWaalsContact O-N 3.07Å; Q130-S133 PolarHBondContact OE1-OG 3.43Å; Q130-T134 PolarHBondContact O-N 2.94Å; Q130-T134 PolarHBondContact O-OG1 3.24Å
131	P	97.4	Very high	97.5	Very high	28 Å²	28	50.7 Å²	50.7	18%	0.182	24%	0.243	C	C	.	.	H	α-helix	trans	-52	-42.3	-170.1	-34.2	38	0	0	0	115.8	Y58 E135	Y58-P131 HydrophobicContact CD1-CB 3.58Å; Y58-P131 HydrophobicContact CD1-CG 4.23Å; Y58-P131 HydrophobicContact CD2-CG 4.44Å; Y58-P131 HydrophobicContact CE1-CB 4.25Å; Y58-P131 HydrophobicContact CG-CB 3.76Å; Y58-P131 HydrophobicContact CG-CG 4.12Å; P131-E135 WeakPolarHBondContact O-CG 3.43Å; P131-E135 PolarHBondContact O-N 3.4Å
132	V	98.3	Very high	97.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-72	-40.7	-178.7	178.7	0	0	0	0	110.6	Y58 L62 A90 F91 E94 W115 Q130 T134 E135 L136	Y58-V132 HydrophobicContact CD1-CG2 4.09Å; Y58-V132 HydrophobicContact CE1-CG2 3.83Å; L62-V132 HydrophobicContact CD2-CG2 4.36Å; A90-V132 HydrophobicContact CB-CG1 4.16Å; A90-V132 HydrophobicContact CB-CG2 4.05Å; F91-V132 HydrophobicContact CB-CG1 3.93Å; E94-V132 HydrophobicContact CG-CG2 4.19Å; W115-V132 HydrophobicContact CH2-CB 3.92Å; W115-V132 HydrophobicContact CH2-CG1 3.74Å; W115-V132 HydrophobicContact CZ3-CG1 4.46Å; Q130-V132 VanDerWaalsContact C-N 3.32Å; Q130-V132 PolarHBondContact O-N 2.96Å; Q130-V132 VanDerWaalsContact O-N 3.15Å; Q130-V132 VanDerWaalsContact OE1-CB 3.3Å; V132-T134 PolarHBondContact O-N 3.39Å; V132-E135 PolarHBondContact O-N 2.84Å; V132-L136 HydrophobicContact CG1-CD1 4.27Å; V132-L136 HydrophobicContact CG1-CG 4.28Å; V132-L136 WeakPolarHBondContact O-CB 3.44Å; V132-L136 VanDerWaalsContact O-CG 3.31Å; V132-L136 WeakPolarHBondContact O-CG 3.47Å; V132-L136 PolarHBondContact O-N 3.23Å
133	S	98.1	Very high	97.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.6	-41.4	175	-63.8	0	0	0	0	112	Q130 L136 W137	Q130-S133 WeakPolarHBondContact O-CB 3.27Å; Q130-S133 PolarHBondContact O-N 3.39Å; Q130-S133 VanDerWaalsContact O-N 3.07Å; Q130-S133 PolarHBondContact OE1-OG 3.43Å; S133-L136 PolarHBondContact O-N 3.28Å; S133-W137 WeakPolarHBondContact O-CB 3.27Å; S133-W137 PolarHBondContact O-N 3.46Å
134	T	97.9	Very high	97.2	Very high	24 Å²	24	53.5 Å²	53.5	15%	0.147	28%	0.28	C	S	.	.	H	α-helix	trans	-60.8	-45.4	174.3	-53.7	0	0	0	0	111.9	Q130 V132 W137 K138	Q130-T134 PolarHBondContact O-N 2.94Å; Q130-T134 PolarHBondContact O-OG1 3.24Å; V132-T134 PolarHBondContact O-N 3.39Å; T134-W137 PolarHBondContact O-N 3.17Å; T134-K138 WeakPolarHBondContact O-CG 3.4Å; T134-K138 PolarHBondContact O-N 3.41Å
135	E	98.3	Very high	97.2	Very high	3 Å²	3	44.8 Å²	44.8	1%	0.014	25%	0.247	C	C	.	.	H	α-helix	trans	-73	-34.4	179.5	-67	-58.9	126.9	0	0	112.8	R83 A87 P131 V132 K138 A139	R83-E135 IonicContact CZ-OE1 3.49Å; R83-E135 IonicContact CZ-OE2 3.91Å; R83-E135 VanDerWaalsContact CZ-OE2 3.27Å; R83-E135 IonicContact NE-OE1 2.63Å; R83-E135 IonicContact NE-OE2 3.96Å; R83-E135 PolarHBondContact NE-OE2 3.03Å; R83-E135 VanDerWaalsContact NH2-CD 3.28Å; R83-E135 IonicContact NH2-OE1 3.95Å; R83-E135 PolarHBondContact NH2-OE1 3.12Å; R83-E135 IonicContact NH2-OE2 3.41Å; R83-E135 PolarHBondContact NH2-OE2 2.96Å; A87-E135 HydrophobicContact CB-CB 3.63Å; P131-E135 WeakPolarHBondContact O-CG 3.43Å; P131-E135 PolarHBondContact O-N 3.4Å; V132-E135 PolarHBondContact O-N 2.84Å; E135-K138 PolarHBondContact O-N 2.98Å; E135-K138 IonicContact OE1-NZ 3.9Å; E135-K138 PolarHBondContact OE1-NZ 3.28Å; E135-A139 PolarHBondContact O-N 3.02Å
136	L	98.4	Very high	97.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.7	-43.1	171.3	-79.4	179.4	0	0	0	111.5	A87 L88 F91 W115 I122 V132 S133 K138 A139 V140 L150	A87-L136 HydrophobicContact CB-CD2 4.44Å; L88-L136 HydrophobicContact CD2-CD2 3.93Å; F91-L136 HydrophobicContact CB-CD1 3.84Å; F91-L136 HydrophobicContact CB-CD2 3.97Å; F91-L136 HydrophobicContact CB-CG 4.21Å; F91-L136 HydrophobicContact CD2-CD1 3.68Å; F91-L136 HydrophobicContact CE2-CD1 4.36Å; F91-L136 HydrophobicContact CG-CD1 3.83Å; F91-L136 HydrophobicContact CG-CD2 4.38Å; W115-L136 HydrophobicContact CZ3-CD1 4.05Å; I122-L136 HydrophobicContact CD1-CB 3.94Å; I122-L136 HydrophobicContact CD1-CD1 4.21Å; V132-L136 HydrophobicContact CG1-CD1 4.27Å; V132-L136 HydrophobicContact CG1-CG 4.28Å; V132-L136 WeakPolarHBondContact O-CB 3.44Å; V132-L136 VanDerWaalsContact O-CG 3.31Å; V132-L136 WeakPolarHBondContact O-CG 3.47Å; V132-L136 PolarHBondContact O-N 3.23Å; S133-L136 PolarHBondContact O-N 3.28Å; L136-K138 VanDerWaalsContact C-N 3.33Å; L136-K138 PolarHBondContact O-N 3.28Å; L136-A139 WeakPolarHBondContact O-CB 3.49Å; L136-A139 PolarHBondContact O-N 3.46Å; L136-A139 VanDerWaalsContact O-N 3.12Å; L136-V140 WeakPolarHBondContact O-CG2 3.3Å; L136-V140 PolarHBondContact O-N 2.86Å; L136-L150 HydrophobicContact CD2-CD2 4.49Å
137	W	98.6	Very high	97.3	Very high	71 Å²	71	40.7 Å²	40.7	27%	0.269	23%	0.225	S	C	.	.	H	α-helix	trans	-57.8	-46.5	175.9	168.4	77.9	0	0	0	111.8	I122 D125 P127 S133 T134 A139 V140 K141	I122-W137 HydrophobicContact CG1-CB 4.22Å; I122-W137 HydrophobicContact CG2-CB 4.03Å; D125-W137 PolarHBondContact OD1-NE1 2.95Å; P127-W137 HydrophobicContact CB-CB 3.8Å; P127-W137 HydrophobicContact CB-CG 4.09Å; P127-W137 HydrophobicContact CG-CB 3.88Å; P127-W137 HydrophobicContact CG-CD2 3.96Å; P127-W137 HydrophobicContact CG-CE3 4.42Å; P127-W137 HydrophobicContact CG-CG 3.68Å; S133-W137 WeakPolarHBondContact O-CB 3.27Å; S133-W137 PolarHBondContact O-N 3.46Å; T134-W137 PolarHBondContact O-N 3.17Å; W137-A139 VanDerWaalsContact C-N 3.31Å; W137-A139 PolarHBondContact O-N 2.82Å; W137-V140 PolarHBondContact O-N 2.69Å; W137-K141 HydrophobicContact CD2-CG 4.43Å; W137-K141 HydrophobicContact CZ2-CG 4.33Å; W137-K141 VanDerWaalsContact O-CG 3.3Å; W137-K141 WeakPolarHBondContact O-CG 3.4Å; W137-K141 PolarHBondContact O-N 2.83Å
138	K	97.7	Very high	97.4	Very high	34 Å²	34	45.8 Å²	45.8	15%	0.148	24%	0.239	C	C	.	.	H	α-helix	trans	-58.4	-43.4	173.7	-66	171.3	-171.9	167.6	0	111.8	N52 T134 E135 L136 K141 T142	N52-K138 WeakPolarHBondContact OD1-CE 3.46Å; N52-K138 PolarHBondContact OD1-NZ 3.35Å; T134-K138 WeakPolarHBondContact O-CG 3.4Å; T134-K138 PolarHBondContact O-N 3.41Å; E135-K138 PolarHBondContact O-N 2.98Å; E135-K138 IonicContact OE1-NZ 3.9Å; E135-K138 PolarHBondContact OE1-NZ 3.28Å; L136-K138 VanDerWaalsContact C-N 3.33Å; L136-K138 PolarHBondContact O-N 3.28Å; K138-K141 PolarHBondContact O-N 2.92Å; K138-T142 VanDerWaalsContact O-CB 3.28Å; K138-T142 WeakPolarHBondContact O-CB 3.41Å; K138-T142 PolarHBondContact O-N 3.36Å; K138-T142 PolarHBondContact O-OG1 2.88Å
139	A	98	Very high	97.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.7	-43.6	177.6	0	0	0	0	0	112.4	S84 E135 L136 W137 T142 H143 L145	S84-A139 WeakPolarHBondContact OG-CA 3.23Å; S84-A139 WeakPolarHBondContact OG-CB 3.46Å; E135-A139 PolarHBondContact O-N 3.02Å; L136-A139 WeakPolarHBondContact O-CB 3.49Å; L136-A139 PolarHBondContact O-N 3.46Å; L136-A139 VanDerWaalsContact O-N 3.12Å; W137-A139 VanDerWaalsContact C-N 3.31Å; W137-A139 PolarHBondContact O-N 2.82Å; A139-T142 PolarHBondContact O-N 2.6Å; A139-H143 PolarHBondContact O-N 3.49Å; A139-L145 HydrophobicContact CB-CD1 3.85Å
140	V	98.2	Very high	97.8	Very high	15 Å²	15	38.7 Å²	38.7	9%	0.091	20%	0.198	C	C	.	.	H	α-helix	trans	-60.1	-46.9	175.4	171.4	0	0	0	0	110.5	I122 Y123 L136 W137 T142 G144 L145 L150	I122-V140 HydrophobicContact CG2-CB 4.21Å; I122-V140 HydrophobicContact CG2-CG2 3.87Å; Y123-V140 HydrophobicContact CD1-CG1 4.19Å; Y123-V140 HydrophobicContact CE1-CG1 3.74Å; Y123-V140 HydrophobicContact CE2-CG1 4.15Å; Y123-V140 HydrophobicContact CE2-CG2 3.86Å; L136-V140 WeakPolarHBondContact O-CG2 3.3Å; L136-V140 PolarHBondContact O-N 2.86Å; W137-V140 PolarHBondContact O-N 2.69Å; V140-T142 PolarHBondContact O-N 2.9Å; V140-G144 VanDerWaalsContact O-CA 3.28Å; V140-G144 WeakPolarHBondContact O-CA 3.44Å; V140-G144 PolarHBondContact O-N 2.88Å; V140-L145 HydrophobicContact CG2-CB 4.16Å; V140-L145 HydrophobicContact CG2-CD1 4.19Å; V140-L150 HydrophobicContact CG2-CD1 4.36Å
141	K	97.4	Very high	97.9	Very high	118 Å²	118	39 Å²	39	51%	0.513	20%	0.2	S	C	.	.	H	α-helix	trans	-66.3	-36.3	179.3	-64.4	-72.1	-81.1	-158.7	0	112.8	D125 W137 K138	D125-K141 WeakPolarHBondContact OD1-CD 3.2Å; D125-K141 VanDerWaalsContact OD1-CE 3.25Å; D125-K141 WeakPolarHBondContact OD1-CE 3.45Å; D125-K141 IonicContact OD1-NZ 3.01Å; D125-K141 PolarHBondContact OD1-NZ 2.88Å; D125-K141 IonicContact OD2-NZ 2.71Å; D125-K141 PolarHBondContact OD2-NZ 3.36Å; W137-K141 HydrophobicContact CD2-CG 4.43Å; W137-K141 HydrophobicContact CZ2-CG 4.33Å; W137-K141 VanDerWaalsContact O-CG 3.3Å; W137-K141 WeakPolarHBondContact O-CG 3.4Å; W137-K141 PolarHBondContact O-N 2.83Å; K138-K141 PolarHBondContact O-N 2.92Å
142	T	96.8	Very high	98	Very high	96 Å²	96	39.9 Å²	39.9	59%	0.589	20%	0.199	S	C	*	.	H	α-helix	trans	-76.3	-42.3	-176.6	-56.2	0	0	0	0	112.1	K138 A139 V140	K138-T142 VanDerWaalsContact O-CB 3.28Å; K138-T142 WeakPolarHBondContact O-CB 3.41Å; K138-T142 PolarHBondContact O-N 3.36Å; K138-T142 PolarHBondContact O-OG1 2.88Å; A139-T142 PolarHBondContact O-N 2.6Å; V140-T142 PolarHBondContact O-N 2.9Å
143	H	96.8	Very high	98	Very high	40 Å²	40	39.9 Å²	39.9	19%	0.185	20%	0.199	C	C	.	.	H	α-helix	trans	-110.9	-5.7	-170.5	-60.7	-73.8	0	0	0	114.3	S84 A139 L145 C190	S84-H143 VanDerWaalsContact CB-CD2 3.5Å; S84-H143 WeakPolarHBondContact CB-CD2 3.49Å; S84-H143 WeakPolarHBondContact CB-NE2 3.23Å; S84-H143 PolarHBondContact OG-CD2 3.36Å; S84-H143 VanDerWaalsContact OG-CD2 3.32Å; S84-H143 PolarHBondContact OG-NE2 3.38Å; S84-H143 VanDerWaalsContact OG-NE2 3.15Å; A139-H143 PolarHBondContact O-N 3.49Å; H143-L145 VanDerWaalsContact C-N 3.35Å; H143-L145 HydrophobicContact CB-CD2 3.79Å; H143-L145 HydrophobicContact CB-CG 4.16Å; H143-C190 PolarHBondContact CE1-O 3.44Å; H143-C190 PolarHBondContact ND1-O 3.09Å
144	G	96.1	Very high	98	Very high	56 Å²	56	39.9 Å²	39.9	58%	0.577	20%	0.199	S	C	*	.			trans	62.8	42.7	-175.9	0	0	0	0	0	112.2	V140	V140-G144 VanDerWaalsContact O-CA 3.28Å; V140-G144 WeakPolarHBondContact O-CA 3.44Å; V140-G144 PolarHBondContact O-N 2.88Å
145	L	97.6	Very high	98.1	Very high	6 Å²	6	41 Å²	41	3%	0.031	21%	0.206	C	C	.	.			trans	-57.6	144.7	-174.3	-61.2	179.7	0	0	0	111.8	L88 Y123 A139 V140 H143 K147 L186 E189	L88-L145 HydrophobicContact CD1-CD1 4.38Å; L88-L145 HydrophobicContact CD2-CD1 4Å; L88-L145 HydrophobicContact CG-CD1 4.43Å; Y123-L145 PolarHBondContact OH-O 3.31Å; A139-L145 HydrophobicContact CB-CD1 3.85Å; V140-L145 HydrophobicContact CG2-CB 4.16Å; V140-L145 HydrophobicContact CG2-CD1 4.19Å; H143-L145 VanDerWaalsContact C-N 3.35Å; H143-L145 HydrophobicContact CB-CD2 3.79Å; H143-L145 HydrophobicContact CB-CG 4.16Å; L145-K147 PolarHBondContact O-N 3.02Å; L145-L186 HydrophobicContact CB-CD2 4.01Å; L145-L186 HydrophobicContact CD1-CD2 4.44Å; L145-L186 HydrophobicContact CD2-CD2 4.33Å; L145-L186 HydrophobicContact CG-CD2 4.5Å; L145-E189 VanDerWaalsContact CA-OE2 3.32Å; L145-E189 WeakPolarHBondContact CA-OE2 3.45Å; L145-E189 HydrophobicContact CD2-CB 3.69Å
146	T	97.6	Very high	98	Very high	53 Å²	53	42.1 Å²	42.1	33%	0.325	21%	0.211	S	C	.	.			trans	-80.9	113.6	-179	-62.4	0	0	0	0	111	R148 W149 E189	T146-R148 HydrophobicContact CG2-CB 3.93Å; T146-R148 PolarHBondContact O-N 2.84Å; T146-R148 VanDerWaalsContact O-N 3.09Å; T146-W149 VanDerWaalsContact CB-CD1 3.49Å; T146-W149 HydrophobicContact CG2-CG 4.43Å; T146-W149 PolarHBondContact O-N 3.24Å; T146-E189 WeakPolarHBondContact CB-OE1 3.29Å; T146-E189 PolarHBondContact N-OE2 2.61Å; T146-E189 PolarHBondContact OG1-OE1 3.43Å
147	K	98.6	Very high	98	Very high	63 Å²	63	43.1 Å²	43.1	27%	0.274	22%	0.215	S	C	.	.	H	α-helix	trans	-49.1	-40.1	178.4	-171	176.6	173.5	-174.5	0	114.2	I119 E120 Y123 L145 W149 L150 M151	I119-K147 HydrophobicContact CG2-CG 3.96Å; E120-K147 WeakPolarHBondContact OE1-CE 3.4Å; E120-K147 IonicContact OE1-NZ 3.18Å; E120-K147 PolarHBondContact OE1-NZ 3.45Å; E120-K147 IonicContact OE2-NZ 2.94Å; E120-K147 PolarHBondContact OE2-NZ 2.96Å; Y123-K147 HydrophobicContact CD1-CB 3.98Å; Y123-K147 HydrophobicContact CD1-CD 4.15Å; Y123-K147 HydrophobicContact CD1-CG 4.31Å; Y123-K147 HydrophobicContact CD2-CB 4.33Å; Y123-K147 HydrophobicContact CD2-CD 4.13Å; Y123-K147 HydrophobicContact CD2-CG 3.98Å; Y123-K147 HydrophobicContact CE1-CB 3.53Å; Y123-K147 HydrophobicContact CE1-CG 4.22Å; Y123-K147 HydrophobicContact CE2-CB 3.91Å; Y123-K147 HydrophobicContact CE2-CD 4.48Å; Y123-K147 HydrophobicContact CE2-CG 3.86Å; Y123-K147 HydrophobicContact CG-CB 4.36Å; Y123-K147 HydrophobicContact CG-CD 3.93Å; Y123-K147 HydrophobicContact CG-CG 4.19Å; Y123-K147 VanDerWaalsContact CZ-CA 3.43Å; Y123-K147 VanDerWaalsContact CZ-CB 3.48Å; Y123-K147 WeakPolarHBondContact OH-CA 3.5Å; Y123-K147 PolarHBondContact OH-N 3.4Å; L145-K147 PolarHBondContact O-N 3.02Å; K147-W149 PolarHBondContact O-N 3.22Å; K147-L150 PolarHBondContact O-N 2.99Å; K147-M151 HydrophobicContact CG-CG 4.24Å; K147-M151 PolarHBondContact O-N 2.83Å
148	R	98.5	Very high	97.9	Very high	141 Å²	141	42 Å²	42	53%	0.532	21%	0.213	S	C	.	.	H	α-helix	trans	-56.4	-36.8	-177.4	-175.1	175.5	60.2	78.3	5.8	112	T146 R152	T146-R148 HydrophobicContact CG2-CB 3.93Å; T146-R148 PolarHBondContact O-N 2.84Å; T146-R148 VanDerWaalsContact O-N 3.09Å; R148-R152 VanDerWaalsContact O-CB 3.23Å; R148-R152 WeakPolarHBondContact O-CB 3.46Å; R148-R152 PolarHBondContact O-N 2.93Å
149	W	98.5	Very high	97.8	Very high	32 Å²	32	46.3 Å²	46.3	12%	0.121	23%	0.232	C	C	.	.	H	α-helix	trans	-70.4	-43.5	-179.8	-57.6	138.4	0	0	0	112.1	T146 K147 R152 I153 Y185 L186 E189	T146-W149 VanDerWaalsContact CB-CD1 3.49Å; T146-W149 HydrophobicContact CG2-CG 4.43Å; T146-W149 PolarHBondContact O-N 3.24Å; K147-W149 PolarHBondContact O-N 3.22Å; W149-R152 VanDerWaalsContact CZ3-NH2 3.32Å; W149-R152 PolarHBondContact O-N 3.12Å; W149-I153 WeakPolarHBondContact O-CG1 3.44Å; W149-I153 PolarHBondContact O-N 2.94Å; W149-Y185 AromaticContact CD2-CD2 3.82Å; W149-Y185 HydrophobicContact CD2-CD2 3.82Å; W149-Y185 HydrophobicContact CD2-CG 4.42Å; W149-Y185 AromaticContact CE2-CD2 3.72Å; W149-Y185 AromaticContact CE3-CD2 3.73Å; W149-Y185 HydrophobicContact CE3-CD2 3.73Å; W149-Y185 HydrophobicContact CE3-CE2 4.32Å; W149-Y185 AromaticContact CH2-CD2 3.38Å; W149-Y185 HydrophobicContact CH2-CD2 3.38Å; W149-Y185 AromaticContact CH2-CE2 3.53Å; W149-Y185 HydrophobicContact CH2-CE2 3.53Å; W149-Y185 HydrophobicContact CH2-CG 4.21Å; W149-Y185 AromaticContact CZ2-CD2 3.52Å; W149-Y185 HydrophobicContact CZ2-CD2 3.52Å; W149-Y185 HydrophobicContact CZ2-CE2 4.09Å; W149-Y185 AromaticContact CZ2-CG 3.92Å; W149-Y185 HydrophobicContact CZ2-CG 3.92Å; W149-Y185 AromaticContact CZ3-CD2 3.52Å; W149-Y185 HydrophobicContact CZ3-CD2 3.52Å; W149-Y185 AromaticContact CZ3-CE2 3.69Å; W149-Y185 HydrophobicContact CZ3-CE2 3.69Å; W149-L186 HydrophobicContact CB-CD1 3.85Å; W149-L186 HydrophobicContact CB-CD2 3.91Å; W149-L186 HydrophobicContact CB-CG 3.67Å; W149-L186 HydrophobicContact CG-CG 4.36Å; W149-E189 PolarHBondContact NE1-OE1 3.35Å
150	L	98.8	Very high	97.6	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-59.6	-49.4	175	-66.3	167.7	0	0	0	111	L88 F91 I119 Y123 L136 V140 K147 R152 I153 V154 L186	L88-L150 HydrophobicContact CD2-CD2 4Å; F91-L150 HydrophobicContact CD1-CD2 3.85Å; F91-L150 HydrophobicContact CE1-CB 4.44Å; F91-L150 HydrophobicContact CE1-CD2 3.53Å; F91-L150 HydrophobicContact CZ-CB 4.41Å; F91-L150 HydrophobicContact CZ-CD2 4.1Å; I119-L150 HydrophobicContact CD1-CB 3.9Å; I119-L150 HydrophobicContact CG1-CB 4.36Å; I119-L150 HydrophobicContact CG2-CB 4.37Å; Y123-L150 HydrophobicContact CE2-CD1 3.87Å; L136-L150 HydrophobicContact CD2-CD2 4.49Å; V140-L150 HydrophobicContact CG2-CD1 4.36Å; K147-L150 PolarHBondContact O-N 2.99Å; L150-R152 VanDerWaalsContact C-N 3.3Å; L150-R152 PolarHBondContact O-N 3.37Å; L150-I153 PolarHBondContact O-N 3.23Å; L150-V154 PolarHBondContact O-N 3.44Å; L150-L186 HydrophobicContact CD2-CD1 3.64Å; L150-L186 HydrophobicContact CD2-CD2 4.45Å; L150-L186 HydrophobicContact CG-CD1 3.99Å; L150-L186 HydrophobicContact CG-CD2 4.19Å
151	M	98.8	Very high	97.4	Very high	38 Å²	38	47.4 Å²	47.4	19%	0.187	24%	0.237	C	C	.	.	H	α-helix	trans	-64.2	-33.8	179.1	-74.2	-56.3	-61.6	0	0	113.2	K116 I119 K147 V154 T155	K116-M151 HydrophobicContact CB-CE 4.01Å; K116-M151 HydrophobicContact CD-CE 4.26Å; K116-M151 HydrophobicContact CG-CE 3.75Å; I119-M151 HydrophobicContact CB-SD 3.88Å; I119-M151 HydrophobicContact CD1-SD 3.72Å; I119-M151 HydrophobicContact CG1-SD 4.43Å; I119-M151 HydrophobicContact CG2-CG 3.97Å; I119-M151 HydrophobicContact CG2-SD 3.77Å; K147-M151 HydrophobicContact CG-CG 4.24Å; K147-M151 PolarHBondContact O-N 2.83Å; M151-V154 PolarHBondContact O-N 2.84Å; M151-T155 VanDerWaalsContact O-CB 3.25Å; M151-T155 WeakPolarHBondContact O-CB 3.32Å; M151-T155 PolarHBondContact O-N 2.75Å; M151-T155 PolarHBondContact O-OG1 3.28Å
152	R	98.7	Very high	96.9	Very high	47 Å²	47	44.7 Å²	44.7	18%	0.177	23%	0.228	C	C	.	.	H	α-helix	trans	-63.6	-41.2	176.9	-170.5	169.5	71.8	152	6.9	111.3	R148 W149 L150 E156 E177 N178 S182	R148-R152 VanDerWaalsContact O-CB 3.23Å; R148-R152 WeakPolarHBondContact O-CB 3.46Å; R148-R152 PolarHBondContact O-N 2.93Å; W149-R152 VanDerWaalsContact CZ3-NH2 3.32Å; W149-R152 PolarHBondContact O-N 3.12Å; L150-R152 VanDerWaalsContact C-N 3.3Å; L150-R152 PolarHBondContact O-N 3.37Å; R152-E156 WeakPolarHBondContact O-CB 3.26Å; R152-E156 PolarHBondContact O-N 3.03Å; R152-E177 IonicContact CZ-OE1 2.64Å; R152-E177 IonicContact NH1-OE1 2.71Å; R152-E177 PolarHBondContact NH1-OE1 3.5Å; R152-E177 PolarHBondContact NH2-O 3.44Å; R152-E177 IonicContact NH2-OE1 3.38Å; R152-E177 PolarHBondContact NH2-OE1 3.5Å; R152-N178 WeakPolarHBondContact CD-OD1 3.37Å; R152-N178 HydrophobicContact CG-CB 4Å; R152-S182 PolarHBondContact NE-OG 3.19Å; R152-S182 PolarHBondContact NH2-OG 3.17Å
153	I	98.8	Very high	96.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.4	-49.4	177.2	-59.5	166.9	0	0	0	110.8	F91 L95 W149 L150 T155 E156 R157 S182 L183 L186	F91-I153 HydrophobicContact CE1-CB 4.47Å; F91-I153 HydrophobicContact CE1-CD1 4.19Å; L95-I153 HydrophobicContact CD1-CB 4.34Å; L95-I153 HydrophobicContact CD1-CG2 3.63Å; W149-I153 WeakPolarHBondContact O-CG1 3.44Å; W149-I153 PolarHBondContact O-N 2.94Å; L150-I153 PolarHBondContact O-N 3.23Å; I153-T155 VanDerWaalsContact C-N 3.34Å; I153-T155 PolarHBondContact O-N 2.77Å; I153-E156 PolarHBondContact O-N 3.2Å; I153-R157 WeakPolarHBondContact O-CG 3.42Å; I153-R157 PolarHBondContact O-N 3.49Å; I153-S182 VanDerWaalsContact CG1-CB 3.41Å; I153-L183 HydrophobicContact CD1-CB 4.42Å; I153-L186 HydrophobicContact CD1-CD1 4.18Å
154	V	98.8	Very high	95.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.9	-48	-179.9	-177.9	0	0	0	0	110.5	F91 L95 M112 W115 K116 I119 L150 M151 E156 R157 E158	F91-V154 HydrophobicContact CE2-CG2 4.13Å; F91-V154 HydrophobicContact CZ-CG2 3.71Å; L95-V154 HydrophobicContact CD1-CG2 3.75Å; L95-V154 HydrophobicContact CD2-CG2 4.09Å; M112-V154 HydrophobicContact CB-CG1 4.36Å; M112-V154 HydrophobicContact SD-CG1 4.25Å; W115-V154 HydrophobicContact CB-CG1 4.14Å; W115-V154 HydrophobicContact CB-CG2 4.11Å; K116-V154 HydrophobicContact CG-CG1 3.68Å; I119-V154 HydrophobicContact CD1-CG2 3.6Å; L150-V154 PolarHBondContact O-N 3.44Å; M151-V154 PolarHBondContact O-N 2.84Å; V154-E156 VanDerWaalsContact C-N 3.34Å; V154-E156 PolarHBondContact O-N 3.37Å; V154-R157 PolarHBondContact O-N 2.97Å; V154-E158 WeakPolarHBondContact O-CB 3.42Å; V154-E158 PolarHBondContact O-N 2.66Å
155	T	98.4	Very high	95.6	Very high	48 Å²	48	48.8 Å²	48.8	29%	0.294	23%	0.226	S	C	.	.	H	α-helix	trans	-64.4	-38.8	-176.7	-59.7	0	0	0	0	111.9	M151 I153 K159	M151-T155 VanDerWaalsContact O-CB 3.25Å; M151-T155 WeakPolarHBondContact O-CB 3.32Å; M151-T155 PolarHBondContact O-N 2.75Å; M151-T155 PolarHBondContact O-OG1 3.28Å; I153-T155 VanDerWaalsContact C-N 3.34Å; I153-T155 PolarHBondContact O-N 2.77Å; T155-K159 WeakPolarHBondContact O-CG 3.39Å; T155-K159 PolarHBondContact O-N 3.48Å
156	E	98.1	Very high	95.5	Very high	25 Å²	25	49.7 Å²	49.7	12%	0.117	23%	0.229	C	C	.	.	H	α-helix	trans	-69.2	-42	177.2	-166.2	65.9	-162.8	0	0	111.8	R152 I153 V154 E158 K159 D160 Y175 N178 T179	R152-E156 WeakPolarHBondContact O-CB 3.26Å; R152-E156 PolarHBondContact O-N 3.03Å; I153-E156 PolarHBondContact O-N 3.2Å; V154-E156 VanDerWaalsContact C-N 3.34Å; V154-E156 PolarHBondContact O-N 3.37Å; E156-E158 VanDerWaalsContact C-N 3.31Å; E156-E158 PolarHBondContact O-N 3.02Å; E156-K159 PolarHBondContact O-N 3.46Å; E156-K159 IonicContact OE2-NZ 2.63Å; E156-D160 PolarHBondContact O-N 2.81Å; E156-D160 VanDerWaalsContact O-N 3.16Å; E156-Y175 HydrophobicContact CG-CD2 3.65Å; E156-Y175 HydrophobicContact CG-CE2 4.14Å; E156-Y175 HydrophobicContact CG-CG 4.43Å; E156-N178 HydrophobicContact CB-CB 3.83Å; E156-N178 HydrophobicContact CG-CB 3.63Å; E156-N178 PolarHBondContact OE2-ND2 2.84Å; E156-T179 HydrophobicContact CB-CG2 4.04Å; E156-T179 HydrophobicContact CG-CG2 4.03Å
157	R	97.5	Very high	95.5	Very high	21 Å²	21	55.6 Å²	55.6	8%	0.079	25%	0.245	C	C	.	.	H	α-helix	trans	-69.7	-28.5	177.8	-71.2	-176.7	175.1	-68.5	2.5	113.2	N92 L95 M112 I153 V154 D160 L161 Y175 T179	N92-R157 PolarHBondContact OD1-NH2 3.02Å; N92-R157 VanDerWaalsContact OD1-NH2 3.08Å; L95-R157 VanDerWaalsContact CB-CD 3.43Å; M112-R157 HydrophobicContact CE-CB 3.69Å; M112-R157 HydrophobicContact SD-CB 4.35Å; I153-R157 WeakPolarHBondContact O-CG 3.42Å; I153-R157 PolarHBondContact O-N 3.49Å; V154-R157 PolarHBondContact O-N 2.97Å; R157-D160 PolarHBondContact O-N 3.4Å; R157-L161 PolarHBondContact O-N 3.2Å; R157-Y175 PolarHBondContact NH1-OH 3.46Å; R157-T179 HydrophobicContact CG-CG2 4.1Å
158	E	97.4	Very high	95.4	Very high	49 Å²	49	55 Å²	55	23%	0.229	25%	0.245	C	C	.	.	H	α-helix	trans	-63.4	-44.2	171	-177.9	174.4	125.5	0	0	112.1	L109 M112 K116 V154 E156 D160 L161	L109-E158 HydrophobicContact CD2-CG 3.8Å; M112-E158 HydrophobicContact CB-CB 4.12Å; M112-E158 HydrophobicContact CB-CG 4.22Å; M112-E158 HydrophobicContact CG-CB 3.99Å; M112-E158 HydrophobicContact CG-CG 4.37Å; K116-E158 WeakPolarHBondContact CE-OE2 3.16Å; K116-E158 IonicContact NZ-OE1 2.78Å; K116-E158 PolarHBondContact NZ-OE1 3.34Å; K116-E158 IonicContact NZ-OE2 3.09Å; K116-E158 PolarHBondContact NZ-OE2 3.45Å; V154-E158 WeakPolarHBondContact O-CB 3.42Å; V154-E158 PolarHBondContact O-N 2.66Å; E156-E158 VanDerWaalsContact C-N 3.31Å; E156-E158 PolarHBondContact O-N 3.02Å; E158-D160 VanDerWaalsContact C-N 3.25Å; E158-D160 PolarHBondContact O-N 3.28Å; E158-L161 WeakPolarHBondContact O-CB 3.28Å; E158-L161 WeakPolarHBondContact O-CG 3.48Å; E158-L161 PolarHBondContact O-N 3.26Å
159	K	94.9	Very high	95.4	Very high	123 Å²	123	48.8 Å²	48.8	54%	0.535	22%	0.222	S	C	.	.	H	α-helix	trans	-61.8	-36.3	174.9	-66	170.7	-172.9	171.2	0	111.8	T155 E156 L161 D162	T155-K159 WeakPolarHBondContact O-CG 3.39Å; T155-K159 PolarHBondContact O-N 3.48Å; E156-K159 PolarHBondContact O-N 3.46Å; E156-K159 IonicContact OE2-NZ 2.63Å; K159-L161 PolarHBondContact O-N 2.9Å; K159-D162 PolarHBondContact O-N 3.43Å
160	D	93.7	Very high	95.4	Very high	24 Å²	24	52.5 Å²	52.5	13%	0.128	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-69.2	-11.3	179.9	-176.2	49.3	0	0	0	114	K99 E156 R157 E158 D162 D163 Y175	K99-D160 WeakPolarHBondContact CD-OD2 3.39Å; K99-D160 WeakPolarHBondContact CE-O 3.1Å; K99-D160 PolarHBondContact NZ-O 3.19Å; K99-D160 IonicContact NZ-OD1 2.87Å; K99-D160 PolarHBondContact NZ-OD1 2.87Å; K99-D160 IonicContact NZ-OD2 3.52Å; K99-D160 PolarHBondContact NZ-OD2 3.06Å; E156-D160 PolarHBondContact O-N 2.81Å; E156-D160 VanDerWaalsContact O-N 3.16Å; R157-D160 PolarHBondContact O-N 3.4Å; E158-D160 VanDerWaalsContact C-N 3.25Å; E158-D160 PolarHBondContact O-N 3.28Å; D160-D162 PolarHBondContact O-N 3.22Å; D160-D162 VanDerWaalsContact O-N 3.16Å; D160-D163 PolarHBondContact O-N 2.85Å; D160-Y175 HydrophobicContact CB-CE2 3.75Å; D160-Y175 PolarHBondContact OD2-OH 3.31Å
161	L	93.8	Very high	95.3	Very high	14 Å²	14	55.1 Å²	55.1	7%	0.073	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-65.9	-11.5	172	-63.9	176.8	0	0	0	113.4	V98 K99 L109 M112 R157 E158 K159 D163	V98-L161 HydrophobicContact CG1-CD2 4.31Å; K99-L161 HydrophobicContact CB-CD2 4.17Å; K99-L161 HydrophobicContact CG-CD2 4.42Å; L109-L161 HydrophobicContact CD2-CD1 4.01Å; L109-L161 HydrophobicContact CG-CD1 4.32Å; M112-L161 HydrophobicContact CE-CD2 4.49Å; M112-L161 HydrophobicContact CG-CD1 4.01Å; R157-L161 PolarHBondContact O-N 3.2Å; E158-L161 WeakPolarHBondContact O-CB 3.28Å; E158-L161 WeakPolarHBondContact O-CG 3.48Å; E158-L161 PolarHBondContact O-N 3.26Å; K159-L161 PolarHBondContact O-N 2.9Å; L161-D163 PolarHBondContact O-N 3.38Å
162	D	86.9	Confident	95.3	Very high	61 Å²	61	53.4 Å²	53.4	33%	0.326	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-75.1	-4.7	176.4	-75.3	-14.4	0	0	0	114	K105 K159 D160 R164	K105-D162 WeakPolarHBondContact CE-OD1 3.35Å; K105-D162 IonicContact NZ-OD1 2.55Å; K105-D162 PolarHBondContact NZ-OD1 3.39Å; K159-D162 PolarHBondContact O-N 3.43Å; D160-D162 PolarHBondContact O-N 3.22Å; D160-D162 VanDerWaalsContact O-N 3.16Å; D162-R164 HydrophobicContact CB-CG 3.96Å; D162-R164 PolarHBondContact O-N 3.14Å; D162-R164 VanDerWaalsContact O-N 3.09Å; D162-R164 IonicContact OD2-CZ 2.96Å; D162-R164 IonicContact OD2-NE 2.72Å; D162-R164 IonicContact OD2-NH2 3.24Å
163	D	83.9	Confident	95.3	Very high	70 Å²	70	52.7 Å²	52.7	37%	0.374	24%	0.244	S	C	.	.			trans	56	26.5	178.5	-87.2	-29.2	0	0	0	114.6	K99 D160 L161 K227 Y229	K99-D163 WeakPolarHBondContact CE-OD1 3.31Å; K99-D163 IonicContact NZ-OD1 3.12Å; D160-D163 PolarHBondContact O-N 2.85Å; L161-D163 PolarHBondContact O-N 3.38Å; D163-K227 VanDerWaalsContact CG-NZ 3.29Å; D163-K227 IonicContact OD1-NZ 2.69Å; D163-K227 PolarHBondContact OD1-NZ 2.92Å; D163-K227 IonicContact OD2-NZ 3.95Å; D163-K227 PolarHBondContact OD2-NZ 3.34Å; D163-Y229 PolarHBondContact OD1-OH 3.48Å
164	R	87.8	Confident	95.3	Very high	176 Å²	176	58.3 Å²	58.3	66%	0.664	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-78.6	132.5	179.4	-64.5	178.5	-174.5	-174	3.2	110.5	D162	D162-R164 HydrophobicContact CB-CG 3.96Å; D162-R164 PolarHBondContact O-N 3.14Å; D162-R164 VanDerWaalsContact O-N 3.09Å; D162-R164 IonicContact OD2-CZ 2.96Å; D162-R164 IonicContact OD2-NE 2.72Å; D162-R164 IonicContact OD2-NH2 3.24Å
165	A	90.6	Very high	95.3	Very high	32 Å²	32	59.8 Å²	59.8	26%	0.264	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-65.3	147.6	166.4	0	0	0	0	0	110.1	R167 M232	A165-R167 PolarHBondContact O-N 2.88Å; A165-M232 HydrophobicContact CB-CG 4.01Å; A165-M232 HydrophobicContact CB-SD 4.26Å
166	Y	96.4	Very high	95.3	Very high	25 Å²	25	57.5 Å²	57.5	10%	0.098	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-68.2	131.9	174.1	-57.2	-66.8	0	0	0	109.8	N168 E171 L172 Y175 Y229 M232	Y166-N168 VanDerWaalsContact C-N 3.32Å; Y166-E171 HydrophobicContact CD1-CB 3.93Å; Y166-E171 HydrophobicContact CG-CB 4.49Å; Y166-L172 HydrophobicContact CD1-CB 4.4Å; Y166-L172 HydrophobicContact CD2-CB 3.91Å; Y166-L172 HydrophobicContact CD2-CD1 4.05Å; Y166-L172 HydrophobicContact CD2-CG 4.43Å; Y166-L172 HydrophobicContact CE2-CB 4.23Å; Y166-L172 HydrophobicContact CE2-CD1 3.55Å; Y166-L172 HydrophobicContact CE2-CG 4.4Å; Y166-L172 HydrophobicContact CG-CB 4.03Å; Y166-Y175 HydrophobicContact CE1-CG 4.26Å; Y166-Y175 VanDerWaalsContact OH-CD1 3.3Å; Y166-Y175 WeakPolarHBondContact OH-CD1 3.41Å; Y166-Y229 WeakPolarHBondContact CD2-O 3.41Å; Y166-Y229 WeakPolarHBondContact CE2-O 3.47Å; Y166-M232 WeakPolarHBondContact O-CG 3.41Å; Y166-M232 PolarHBondContact O-N 3.23Å
167	R	96.7	Very high	95.3	Very high	177 Å²	177	57.3 Å²	57.3	67%	0.668	26%	0.259	S	S	*	.	S	Bend	trans	-67.1	-39.4	176	-68.3	179.3	-108	179.4	-4.3	111.3	A165 E171 D233	A165-R167 PolarHBondContact O-N 2.88Å; R167-E171 WeakPolarHBondContact CB-OE2 3.41Å; R167-E171 IonicContact CZ-OE1 3.75Å; R167-E171 PolarHBondContact N-OE2 3.38Å; R167-E171 IonicContact NE-OE1 3.78Å; R167-E171 PolarHBondContact NE-OE1 3.06Å; R167-E171 IonicContact NE-OE2 3.78Å; R167-E171 IonicContact NH2-OE1 3.72Å; R167-E171 PolarHBondContact NH2-OE1 2.91Å; R167-E171 VanDerWaalsContact NH2-OE1 3.09Å; R167-D233 PolarHBondContact O-N 3.37Å; R167-D233 VanDerWaalsContact O-N 3.15Å
168	N	97.6	Very high	95.3	Very high	50 Å²	50	56.9 Å²	56.9	27%	0.267	26%	0.258	S	S	.	.	S	Bend	trans	-147.5	171.4	-178.2	59.4	37.9	0	0	0	112.4	Y166 Q170 E171 D233	Y166-N168 VanDerWaalsContact C-N 3.32Å; N168-Q170 PolarHBondContact O-N 3.34Å; N168-Q170 WeakPolarHBondContact OD1-CB 3.5Å; N168-Q170 PolarHBondContact OD1-N 2.93Å; N168-Q170 PolarHBondContact OD1-OE1 3.49Å; N168-E171 PolarHBondContact O-N 3.18Å; N168-E171 PolarHBondContact OD1-N 3.05Å; N168-D233 VanDerWaalsContact CA-CG 3.42Å; N168-D233 VanDerWaalsContact CA-OD1 3.3Å; N168-D233 WeakPolarHBondContact CA-OD1 3.11Å; N168-D233 WeakPolarHBondContact CA-OD2 3.32Å; N168-D233 HydrophobicContact CB-CB 4.36Å; N168-D233 WeakPolarHBondContact CB-OD2 3.42Å
169	L	97	Very high	95.4	Very high	11 Å²	11	54.6 Å²	54.6	6%	0.058	25%	0.247	C	C	.	.	H	α-helix	trans	-59.3	-35.4	177.7	-174.8	74.1	0	0	0	112.3	E171 L172 E173 P231 I234 Q264	L169-E171 VanDerWaalsContact C-N 3.3Å; L169-E171 PolarHBondContact O-N 3Å; L169-L172 HydrophobicContact CD1-CD2 4.43Å; L169-L172 WeakPolarHBondContact O-CB 3.3Å; L169-L172 PolarHBondContact O-N 3.43Å; L169-L172 VanDerWaalsContact O-N 3.08Å; L169-E173 HydrophobicContact CG-CG 4.46Å; L169-E173 PolarHBondContact O-N 3.49Å; L169-P231 HydrophobicContact CD1-CG 4.18Å; L169-I234 HydrophobicContact CB-CD1 4.23Å; L169-I234 HydrophobicContact CD1-CD1 4.21Å; L169-Q264 HydrophobicContact CD1-CB 4.29Å; L169-Q264 HydrophobicContact CD1-CG 4.48Å; L169-Q264 HydrophobicContact CD2-CB 3.74Å; L169-Q264 HydrophobicContact CD2-CG 3.37Å
170	Q	98.1	Very high	95.6	Very high	110 Å²	110	50.2 Å²	50.2	51%	0.514	23%	0.229	S	C	.	.	H	α-helix	trans	-65	-33.1	-178.6	-62.9	78.2	14.3	0	0	112.2	N168 E173 K174	N168-Q170 PolarHBondContact O-N 3.34Å; N168-Q170 WeakPolarHBondContact OD1-CB 3.5Å; N168-Q170 PolarHBondContact OD1-N 2.93Å; N168-Q170 PolarHBondContact OD1-OE1 3.49Å; Q170-E173 PolarHBondContact O-N 3.37Å; Q170-K174 VanDerWaalsContact O-CB 3.26Å; Q170-K174 WeakPolarHBondContact O-CB 3.48Å; Q170-K174 PolarHBondContact O-N 3.36Å
171	E	98.1	Very high	95.8	Very high	56 Å²	56	49.1 Å²	49.1	26%	0.262	22%	0.223	S	C	.	.	H	α-helix	trans	-65.4	-41.1	171.9	-73.5	-170.6	161.2	0	0	111.6	Y166 R167 N168 L169 K174 Y175	Y166-E171 HydrophobicContact CD1-CB 3.93Å; Y166-E171 HydrophobicContact CG-CB 4.49Å; R167-E171 WeakPolarHBondContact CB-OE2 3.41Å; R167-E171 IonicContact CZ-OE1 3.75Å; R167-E171 PolarHBondContact N-OE2 3.38Å; R167-E171 IonicContact NE-OE1 3.78Å; R167-E171 PolarHBondContact NE-OE1 3.06Å; R167-E171 IonicContact NE-OE2 3.78Å; R167-E171 IonicContact NH2-OE1 3.72Å; R167-E171 PolarHBondContact NH2-OE1 2.91Å; R167-E171 VanDerWaalsContact NH2-OE1 3.09Å; N168-E171 PolarHBondContact O-N 3.18Å; N168-E171 PolarHBondContact OD1-N 3.05Å; L169-E171 VanDerWaalsContact C-N 3.3Å; L169-E171 PolarHBondContact O-N 3Å; E171-K174 PolarHBondContact O-N 3.27Å; E171-Y175 PolarHBondContact O-N 3.37Å
172	L	98.2	Very high	96	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-64.6	-43.1	174.7	173	59.4	0	0	0	111.5	Y166 L169 K174 Y175 S176 I212 C215 P231	Y166-L172 HydrophobicContact CD1-CB 4.4Å; Y166-L172 HydrophobicContact CD2-CB 3.91Å; Y166-L172 HydrophobicContact CD2-CD1 4.05Å; Y166-L172 HydrophobicContact CD2-CG 4.43Å; Y166-L172 HydrophobicContact CE2-CB 4.23Å; Y166-L172 HydrophobicContact CE2-CD1 3.55Å; Y166-L172 HydrophobicContact CE2-CG 4.4Å; Y166-L172 HydrophobicContact CG-CB 4.03Å; L169-L172 HydrophobicContact CD1-CD2 4.43Å; L169-L172 WeakPolarHBondContact O-CB 3.3Å; L169-L172 PolarHBondContact O-N 3.43Å; L169-L172 VanDerWaalsContact O-N 3.08Å; L172-K174 VanDerWaalsContact C-N 3.32Å; L172-K174 PolarHBondContact O-N 3.14Å; L172-Y175 PolarHBondContact O-N 2.87Å; L172-S176 WeakPolarHBondContact O-CB 3.33Å; L172-S176 PolarHBondContact O-N 3.37Å; L172-S176 PolarHBondContact O-OG 2.99Å; L172-I212 HydrophobicContact CD2-CB 4.46Å; L172-I212 HydrophobicContact CD2-CG1 4.07Å; L172-I212 HydrophobicContact CD2-CG2 4.4Å; L172-I212 HydrophobicContact CG-CG1 4.13Å; L172-C215 HydrophobicContact CD1-CB 3.91Å; L172-C215 HydrophobicContact CD2-CB 4.08Å; L172-P231 HydrophobicContact CB-CG 4.43Å; L172-P231 HydrophobicContact CD2-CG 3.98Å
173	E	98.4	Very high	96.6	Very high	33 Å²	33	45.7 Å²	45.7	15%	0.154	21%	0.205	C	C	.	.	H	α-helix	trans	-61.4	-41.1	173.6	-73.5	176.6	-170.8	0	0	111.7	L169 Q170 S176 E177 K208 I212 H268	L169-E173 HydrophobicContact CG-CG 4.46Å; L169-E173 PolarHBondContact O-N 3.49Å; Q170-E173 PolarHBondContact O-N 3.37Å; E173-S176 PolarHBondContact O-N 3.1Å; E173-E177 WeakPolarHBondContact O-CB 3.3Å; E173-E177 PolarHBondContact O-N 3.49Å; E173-K208 HydrophobicContact CB-CD 4.44Å; E173-I212 HydrophobicContact CG-CD1 4.13Å; E173-H268 IonicContact OE1-CE1 2.74Å; E173-H268 IonicContact OE1-NE2 3.96Å; E173-H268 PolarHBondContact OE1-NE2 3.3Å; E173-H268 IonicContact OE2-NE2 2.78Å
174	K	98.5	Very high	97.3	Very high	117 Å²	117	42.6 Å²	42.6	51%	0.509	19%	0.188	S	C	.	.	H	α-helix	trans	-64.8	-44.3	178.8	-176.9	57.5	170.1	176.8	0	111.7	Q170 E171 L172 S176 E177 N178	Q170-K174 VanDerWaalsContact O-CB 3.26Å; Q170-K174 WeakPolarHBondContact O-CB 3.48Å; Q170-K174 PolarHBondContact O-N 3.36Å; E171-K174 PolarHBondContact O-N 3.27Å; L172-K174 VanDerWaalsContact C-N 3.32Å; L172-K174 PolarHBondContact O-N 3.14Å; K174-S176 VanDerWaalsContact C-N 3.31Å; K174-S176 PolarHBondContact O-N 3.09Å; K174-E177 PolarHBondContact O-N 3.41Å; K174-N178 WeakPolarHBondContact O-CB 3.25Å; K174-N178 PolarHBondContact O-N 2.88Å
175	Y	98.3	Very high	97.8	Very high	32 Å²	32	35 Å²	35	13%	0.125	16%	0.16	C	C	.	.	H	α-helix	trans	-58.5	-45.8	173	175.3	-94.1	0	0	0	111.1	E156 R157 D160 Y166 E171 L172 N178 T179	E156-Y175 HydrophobicContact CG-CD2 3.65Å; E156-Y175 HydrophobicContact CG-CE2 4.14Å; E156-Y175 HydrophobicContact CG-CG 4.43Å; R157-Y175 PolarHBondContact NH1-OH 3.46Å; D160-Y175 HydrophobicContact CB-CE2 3.75Å; D160-Y175 PolarHBondContact OD2-OH 3.31Å; Y166-Y175 HydrophobicContact CE1-CG 4.26Å; Y166-Y175 VanDerWaalsContact OH-CD1 3.3Å; Y166-Y175 WeakPolarHBondContact OH-CD1 3.41Å; E171-Y175 PolarHBondContact O-N 3.37Å; L172-Y175 PolarHBondContact O-N 2.87Å; Y175-N178 PolarHBondContact O-N 3.21Å; Y175-T179 HydrophobicContact CD2-CG2 4.48Å; Y175-T179 HydrophobicContact CE1-CG2 4.33Å; Y175-T179 HydrophobicContact CE2-CG2 4.13Å; Y175-T179 WeakPolarHBondContact O-CB 3.5Å; Y175-T179 WeakPolarHBondContact O-CG2 3.42Å; Y175-T179 PolarHBondContact O-N 2.86Å; Y175-T179 PolarHBondContact O-OG1 3.33Å
176	S	98.4	Very high	98.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.8	-40.3	-179.2	-56	0	0	0	0	112.2	L172 E173 K174 T179 Q180 S181 G211	L172-S176 WeakPolarHBondContact O-CB 3.33Å; L172-S176 PolarHBondContact O-N 3.37Å; L172-S176 PolarHBondContact O-OG 2.99Å; E173-S176 PolarHBondContact O-N 3.1Å; K174-S176 VanDerWaalsContact C-N 3.31Å; K174-S176 PolarHBondContact O-N 3.09Å; S176-T179 PolarHBondContact O-N 2.94Å; S176-Q180 WeakPolarHBondContact O-CB 3.3Å; S176-Q180 PolarHBondContact O-N 3.07Å; S176-S181 PolarHBondContact O-N 3.4Å; S176-S181 VanDerWaalsContact O-N 3.16Å; S176-G211 VanDerWaalsContact OG-CA 3.32Å; S176-G211 WeakPolarHBondContact OG-CA 3.31Å
177	E	98.6	Very high	98.2	Very high	20 Å²	20	32.5 Å²	32.5	9%	0.093	14%	0.143	C	C	.	.	I	π-helix	trans	-62.4	-43.8	173.5	174	57.6	-145.7	0	0	111.8	R152 E173 K174 T179 S181 S182 Y185 S204 K208	R152-E177 IonicContact CZ-OE1 2.64Å; R152-E177 IonicContact NH1-OE1 2.71Å; R152-E177 PolarHBondContact NH1-OE1 3.5Å; R152-E177 PolarHBondContact NH2-O 3.44Å; R152-E177 IonicContact NH2-OE1 3.38Å; R152-E177 PolarHBondContact NH2-OE1 3.5Å; E173-E177 WeakPolarHBondContact O-CB 3.3Å; E173-E177 PolarHBondContact O-N 3.49Å; K174-E177 PolarHBondContact O-N 3.41Å; E177-T179 VanDerWaalsContact C-N 3.29Å; E177-T179 PolarHBondContact O-N 3.38Å; E177-S181 WeakPolarHBondContact CA-OG 3.46Å; E177-S181 VanDerWaalsContact O-CB 3.32Å; E177-S181 WeakPolarHBondContact O-CB 3.41Å; E177-S181 VanDerWaalsContact OE2-CB 3.26Å; E177-S181 WeakPolarHBondContact OE2-CB 3.39Å; E177-S181 PolarHBondContact OE2-OG 3.43Å; E177-S182 PolarHBondContact O-N 3.47Å; E177-Y185 WeakPolarHBondContact OE1-CE2 3.24Å; E177-Y185 PolarHBondContact OE1-OH 3.48Å; E177-S204 WeakPolarHBondContact OE2-CA 3.3Å; E177-S204 WeakPolarHBondContact OE2-CB 3.49Å; E177-S204 PolarHBondContact OE2-OG 3.22Å; E177-K208 HydrophobicContact CB-CG 4.22Å
178	N	98.8	Very high	98.2	Very high	13 Å²	13	24.1 Å²	24.1	7%	0.07	11%	0.112	C	C	.	.	I	π-helix	trans	-73.9	-21	-178.7	-74	-12.5	0	0	0	112.9	R152 E156 K174 Y175 S182	R152-N178 WeakPolarHBondContact CD-OD1 3.37Å; R152-N178 HydrophobicContact CG-CB 4Å; E156-N178 HydrophobicContact CB-CB 3.83Å; E156-N178 HydrophobicContact CG-CB 3.63Å; E156-N178 PolarHBondContact OE2-ND2 2.84Å; K174-N178 WeakPolarHBondContact O-CB 3.25Å; K174-N178 PolarHBondContact O-N 2.88Å; Y175-N178 PolarHBondContact O-N 3.21Å; N178-S182 VanDerWaalsContact C-OG 3.29Å; N178-S182 WeakPolarHBondContact O-CB 3.35Å; N178-S182 PolarHBondContact O-OG 3.41Å
179	T	98.6	Very high	98.2	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.105	C	C	.	.	I	π-helix	trans	-105.6	-72.5	-179.9	55.8	0	0	0	0	112.6	E156 R157 Y175 S176 E177 S182 L183	E156-T179 HydrophobicContact CB-CG2 4.04Å; E156-T179 HydrophobicContact CG-CG2 4.03Å; R157-T179 HydrophobicContact CG-CG2 4.1Å; Y175-T179 HydrophobicContact CD2-CG2 4.48Å; Y175-T179 HydrophobicContact CE1-CG2 4.33Å; Y175-T179 HydrophobicContact CE2-CG2 4.13Å; Y175-T179 WeakPolarHBondContact O-CB 3.5Å; Y175-T179 WeakPolarHBondContact O-CG2 3.42Å; Y175-T179 PolarHBondContact O-N 2.86Å; Y175-T179 PolarHBondContact O-OG1 3.33Å; S176-T179 PolarHBondContact O-N 2.94Å; E177-T179 VanDerWaalsContact C-N 3.29Å; E177-T179 PolarHBondContact O-N 3.38Å; T179-S182 WeakPolarHBondContact O-CB 3.44Å; T179-S182 PolarHBondContact O-N 3.05Å; T179-L183 PolarHBondContact O-N 2.94Å; T179-L183 VanDerWaalsContact O-N 3.16Å
180	Q	98.4	Very high	98.1	Very high	32 Å²	32	22.6 Å²	22.6	15%	0.15	10%	0.103	C	C	.	.	I	π-helix	trans	-68.6	-44.3	-174.4	-58.8	-60.8	-25	0	0	112.1	S176 S182 L183 L184 G207	S176-Q180 WeakPolarHBondContact O-CB 3.3Å; S176-Q180 PolarHBondContact O-N 3.07Å; Q180-S182 VanDerWaalsContact C-N 3.34Å; Q180-S182 PolarHBondContact O-N 3.02Å; Q180-L183 WeakPolarHBondContact O-CB 3.4Å; Q180-L183 PolarHBondContact O-N 2.95Å; Q180-L183 VanDerWaalsContact O-N 3.16Å; Q180-L184 PolarHBondContact O-N 2.86Å; Q180-G207 VanDerWaalsContact CB-O 3.3Å; Q180-G207 WeakPolarHBondContact CB-O 3.46Å
181	S	98.6	Very high	97.9	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.081	C	C	.	.	I	π-helix	trans	-66.9	-36.8	177.9	-46.3	0	0	0	0	111.8	S176 E177 L183 L184 Y185 S204 G207	S176-S181 PolarHBondContact O-N 3.4Å; S176-S181 VanDerWaalsContact O-N 3.16Å; E177-S181 WeakPolarHBondContact CA-OG 3.46Å; E177-S181 VanDerWaalsContact O-CB 3.32Å; E177-S181 WeakPolarHBondContact O-CB 3.41Å; E177-S181 VanDerWaalsContact OE2-CB 3.26Å; E177-S181 WeakPolarHBondContact OE2-CB 3.39Å; E177-S181 PolarHBondContact OE2-OG 3.43Å; S181-L183 VanDerWaalsContact C-N 3.28Å; S181-L183 PolarHBondContact O-N 2.89Å; S181-L184 PolarHBondContact O-N 3.47Å; S181-L184 VanDerWaalsContact O-N 3.13Å; S181-Y185 WeakPolarHBondContact O-CD2 3.42Å; S181-Y185 PolarHBondContact O-N 2.78Å; S181-S204 PolarHBondContact OG-O 3.49Å; S181-G207 WeakPolarHBondContact OG-CA 3.43Å
182	S	98.7	Very high	97.1	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-55.8	-42.4	171	-60.3	0	0	0	0	112.7	R152 I153 E177 N178 T179 Q180 Y185 L186	R152-S182 PolarHBondContact NE-OG 3.19Å; R152-S182 PolarHBondContact NH2-OG 3.17Å; I153-S182 VanDerWaalsContact CG1-CB 3.41Å; E177-S182 PolarHBondContact O-N 3.47Å; N178-S182 VanDerWaalsContact C-OG 3.29Å; N178-S182 WeakPolarHBondContact O-CB 3.35Å; N178-S182 PolarHBondContact O-OG 3.41Å; T179-S182 WeakPolarHBondContact O-CB 3.44Å; T179-S182 PolarHBondContact O-N 3.05Å; Q180-S182 VanDerWaalsContact C-N 3.34Å; Q180-S182 PolarHBondContact O-N 3.02Å; S182-Y185 PolarHBondContact O-N 3.43Å; S182-L186 WeakPolarHBondContact O-CG 3.42Å; S182-L186 PolarHBondContact O-N 3.13Å; S182-L186 VanDerWaalsContact O-N 3.12Å
183	L	98.6	Very high	96.2	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.021	12%	0.124	C	C	.	.	H	α-helix	trans	-65.5	-41.6	177.2	179.3	63.1	0	0	0	110.7	L88 N92 I153 T179 Q180 S181 L186 L187	L88-L183 HydrophobicContact CB-CD1 3.94Å; N92-L183 HydrophobicContact CB-CD1 4.47Å; N92-L183 HydrophobicContact CB-CD2 4.04Å; I153-L183 HydrophobicContact CD1-CB 4.42Å; T179-L183 PolarHBondContact O-N 2.94Å; T179-L183 VanDerWaalsContact O-N 3.16Å; Q180-L183 WeakPolarHBondContact O-CB 3.4Å; Q180-L183 PolarHBondContact O-N 2.95Å; Q180-L183 VanDerWaalsContact O-N 3.16Å; S181-L183 VanDerWaalsContact C-N 3.28Å; S181-L183 PolarHBondContact O-N 2.89Å; L183-L186 PolarHBondContact O-N 3.02Å; L183-L187 HydrophobicContact CG-CD1 4.27Å; L183-L187 VanDerWaalsContact O-CG 3.3Å; L183-L187 WeakPolarHBondContact O-CG 3.43Å; L183-L187 PolarHBondContact O-N 3.16Å
184	L	98	Very high	95.8	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.021	12%	0.122	C	C	.	.	H	α-helix	trans	-64.2	-39.5	175.7	-69	172.7	0	0	0	112.5	Q180 S181 L186 L187 L188 A203 I206 A286	Q180-L184 PolarHBondContact O-N 2.86Å; S181-L184 PolarHBondContact O-N 3.47Å; S181-L184 VanDerWaalsContact O-N 3.13Å; L184-L186 VanDerWaalsContact C-N 3.33Å; L184-L186 PolarHBondContact O-N 2.72Å; L184-L187 HydrophobicContact CD2-CD1 4.27Å; L184-L187 PolarHBondContact O-N 3.16Å; L184-L188 WeakPolarHBondContact O-CG 3.36Å; L184-L188 PolarHBondContact O-N 3.45Å; L184-A203 HydrophobicContact CB-CB 3.95Å; L184-A203 WeakPolarHBondContact CD1-O 3.35Å; L184-I206 HydrophobicContact CD1-CB 3.88Å; L184-I206 HydrophobicContact CD1-CG2 3.69Å; L184-A286 WeakPolarHBondContact CD2-O 3.46Å
185	Y	98.3	Very high	95.4	Very high	17 Å²	17	24.6 Å²	24.6	7%	0.067	14%	0.138	C	C	.	.	H	α-helix	trans	-60.1	-43.4	173.5	-57.9	-40.8	0	0	0	111.5	W149 E177 S181 S182 L187 L188 E189 D200 A203 S204	W149-Y185 AromaticContact CD2-CD2 3.82Å; W149-Y185 HydrophobicContact CD2-CD2 3.82Å; W149-Y185 HydrophobicContact CD2-CG 4.42Å; W149-Y185 AromaticContact CE2-CD2 3.72Å; W149-Y185 AromaticContact CE3-CD2 3.73Å; W149-Y185 HydrophobicContact CE3-CD2 3.73Å; W149-Y185 HydrophobicContact CE3-CE2 4.32Å; W149-Y185 AromaticContact CH2-CD2 3.38Å; W149-Y185 HydrophobicContact CH2-CD2 3.38Å; W149-Y185 AromaticContact CH2-CE2 3.53Å; W149-Y185 HydrophobicContact CH2-CE2 3.53Å; W149-Y185 HydrophobicContact CH2-CG 4.21Å; W149-Y185 AromaticContact CZ2-CD2 3.52Å; W149-Y185 HydrophobicContact CZ2-CD2 3.52Å; W149-Y185 HydrophobicContact CZ2-CE2 4.09Å; W149-Y185 AromaticContact CZ2-CG 3.92Å; W149-Y185 HydrophobicContact CZ2-CG 3.92Å; W149-Y185 AromaticContact CZ3-CD2 3.52Å; W149-Y185 HydrophobicContact CZ3-CD2 3.52Å; W149-Y185 AromaticContact CZ3-CE2 3.69Å; W149-Y185 HydrophobicContact CZ3-CE2 3.69Å; E177-Y185 WeakPolarHBondContact OE1-CE2 3.24Å; E177-Y185 PolarHBondContact OE1-OH 3.48Å; S181-Y185 WeakPolarHBondContact O-CD2 3.42Å; S181-Y185 PolarHBondContact O-N 2.78Å; S182-Y185 PolarHBondContact O-N 3.43Å; Y185-L187 VanDerWaalsContact C-N 3.33Å; Y185-L187 PolarHBondContact O-N 2.87Å; Y185-L188 WeakPolarHBondContact O-CB 3.48Å; Y185-L188 PolarHBondContact O-N 3.29Å; Y185-E189 WeakPolarHBondContact O-CG 3.49Å; Y185-E189 PolarHBondContact O-N 2.92Å; Y185-D200 HydrophobicContact CE1-CB 4.25Å; Y185-D200 WeakPolarHBondContact CE1-O 3.36Å; Y185-A203 HydrophobicContact CD1-CB 3.83Å; Y185-A203 HydrophobicContact CE1-CB 3.67Å; Y185-S204 WeakPolarHBondContact OH-CA 3.3Å; Y185-S204 VanDerWaalsContact OH-CB 3.24Å; Y185-S204 WeakPolarHBondContact OH-CB 3.44Å
186	L	98.3	Very high	95.2	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.5	-36.7	175.2	-69.9	161.7	0	0	0	112.2	L88 L145 W149 L150 I153 S182 L183 L184 E189 C190	L88-L186 HydrophobicContact CD1-CB 3.72Å; L88-L186 HydrophobicContact CD2-CB 3.99Å; L88-L186 HydrophobicContact CD2-CD1 3.98Å; L88-L186 HydrophobicContact CD2-CD2 4.45Å; L88-L186 HydrophobicContact CD2-CG 4.38Å; L88-L186 HydrophobicContact CG-CB 4.48Å; L145-L186 HydrophobicContact CB-CD2 4.01Å; L145-L186 HydrophobicContact CD1-CD2 4.44Å; L145-L186 HydrophobicContact CD2-CD2 4.33Å; L145-L186 HydrophobicContact CG-CD2 4.5Å; W149-L186 HydrophobicContact CB-CD1 3.85Å; W149-L186 HydrophobicContact CB-CD2 3.91Å; W149-L186 HydrophobicContact CB-CG 3.67Å; W149-L186 HydrophobicContact CG-CG 4.36Å; L150-L186 HydrophobicContact CD2-CD1 3.64Å; L150-L186 HydrophobicContact CD2-CD2 4.45Å; L150-L186 HydrophobicContact CG-CD1 3.99Å; L150-L186 HydrophobicContact CG-CD2 4.19Å; I153-L186 HydrophobicContact CD1-CD1 4.18Å; S182-L186 WeakPolarHBondContact O-CG 3.42Å; S182-L186 PolarHBondContact O-N 3.13Å; S182-L186 VanDerWaalsContact O-N 3.12Å; L183-L186 PolarHBondContact O-N 3.02Å; L184-L186 VanDerWaalsContact C-N 3.33Å; L184-L186 PolarHBondContact O-N 2.72Å; L186-E189 PolarHBondContact O-N 3.36Å; L186-C190 PolarHBondContact O-N 3.06Å; L186-C190 VanDerWaalsContact O-N 3.09Å
187	L	97.6	Very high	95.1	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-68.5	-36.5	175.2	-69.9	172	0	0	0	112.1	S85 L88 L183 L184 Y185 E189 C190 L191 A286	S85-L187 WeakPolarHBondContact OG-CD2 3.41Å; L88-L187 HydrophobicContact CD1-CD2 4.14Å; L183-L187 HydrophobicContact CG-CD1 4.27Å; L183-L187 VanDerWaalsContact O-CG 3.3Å; L183-L187 WeakPolarHBondContact O-CG 3.43Å; L183-L187 PolarHBondContact O-N 3.16Å; L184-L187 HydrophobicContact CD2-CD1 4.27Å; L184-L187 PolarHBondContact O-N 3.16Å; Y185-L187 VanDerWaalsContact C-N 3.33Å; Y185-L187 PolarHBondContact O-N 2.87Å; L187-E189 VanDerWaalsContact C-N 3.34Å; L187-C190 WeakPolarHBondContact O-CB 3.42Å; L187-C190 PolarHBondContact O-N 3.16Å; L187-L191 WeakPolarHBondContact O-CG 3.44Å; L187-L191 PolarHBondContact O-N 2.77Å; L187-A286 HydrophobicContact CB-CB 4.2Å
188	L	97.2	Very high	95	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-62.8	-41	171.8	-72.5	173.8	0	0	0	111.5	L184 Y185 C190 L191 V194 A199 A203 A283 A286 F287	L184-L188 WeakPolarHBondContact O-CG 3.36Å; L184-L188 PolarHBondContact O-N 3.45Å; Y185-L188 WeakPolarHBondContact O-CB 3.48Å; Y185-L188 PolarHBondContact O-N 3.29Å; L188-C190 VanDerWaalsContact C-N 3.27Å; L188-C190 PolarHBondContact O-N 3.12Å; L188-L191 PolarHBondContact O-N 3.15Å; L188-V194 HydrophobicContact CB-CB 4.49Å; L188-V194 HydrophobicContact CD2-CG1 4.48Å; L188-V194 PolarHBondContact O-N 3.03Å; L188-A199 HydrophobicContact CD1-CB 4.2Å; L188-A199 HydrophobicContact CD2-CB 4.46Å; L188-A203 HydrophobicContact CD1-CB 3.82Å; L188-A283 HydrophobicContact CD2-CB 3.64Å; L188-A286 HydrophobicContact CD2-CB 3.83Å; L188-A286 HydrophobicContact CG-CB 4.27Å; L188-F287 HydrophobicContact CD1-CE1 4.26Å; L188-F287 HydrophobicContact CD1-CZ 4.11Å; L188-F287 HydrophobicContact CD2-CE1 4.06Å; L188-F287 HydrophobicContact CD2-CZ 3.86Å; L188-F287 HydrophobicContact CG-CE1 4.34Å; L188-F287 HydrophobicContact CG-CZ 4.41Å
189	E	96.8	Very high	94.9	Very high	28 Å²	28	31 Å²	31	13%	0.131	18%	0.177	C	C	.	.	H	α-helix	trans	-61.5	-34.5	174.3	-70.2	173.3	173.9	0	0	111.8	L145 T146 W149 Y185 L186 L187 L191 G193	L145-E189 VanDerWaalsContact CA-OE2 3.32Å; L145-E189 WeakPolarHBondContact CA-OE2 3.45Å; L145-E189 HydrophobicContact CD2-CB 3.69Å; T146-E189 WeakPolarHBondContact CB-OE1 3.29Å; T146-E189 PolarHBondContact N-OE2 2.61Å; T146-E189 PolarHBondContact OG1-OE1 3.43Å; W149-E189 PolarHBondContact NE1-OE1 3.35Å; Y185-E189 WeakPolarHBondContact O-CG 3.49Å; Y185-E189 PolarHBondContact O-N 2.92Å; L186-E189 PolarHBondContact O-N 3.36Å; L187-E189 VanDerWaalsContact C-N 3.34Å; E189-L191 VanDerWaalsContact C-N 3.31Å; E189-L191 PolarHBondContact O-N 2.93Å; E189-G193 WeakPolarHBondContact O-CA 3.3Å; E189-G193 PolarHBondContact O-N 3.06Å; E189-G193 VanDerWaalsContact O-N 3.14Å
190	C	96.4	Very high	94.9	Very high	2 Å²	2	34 Å²	34	1%	0.014	19%	0.192	C	C	.	.	H	α-helix	trans	-66.4	-27.2	173.1	-74.7	0	0	0	0	114	A81 H143 L186 L187 L188 A192	A81-C190 HydrophobicContact CB-CB 4.19Å; A81-C190 WeakPolarHBondContact CB-O 3.28Å; H143-C190 PolarHBondContact CE1-O 3.44Å; H143-C190 PolarHBondContact ND1-O 3.09Å; L186-C190 PolarHBondContact O-N 3.06Å; L186-C190 VanDerWaalsContact O-N 3.09Å; L187-C190 WeakPolarHBondContact O-CB 3.42Å; L187-C190 PolarHBondContact O-N 3.16Å; L188-C190 VanDerWaalsContact C-N 3.27Å; L188-C190 PolarHBondContact O-N 3.12Å; C190-A192 VanDerWaalsContact C-N 3.31Å; C190-A192 PolarHBondContact O-N 3.22Å
191	L	94.1	Very high	94.8	Very high	9 Å²	9	36.7 Å²	36.7	5%	0.047	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	67.2	-175.2	-66.3	175.7	0	0	0	111.9	L77 P78 A81 L187 L188 E189 G193 V194 A282 P285 A286	L77-L191 HydrophobicContact CD2-CD2 4.31Å; P78-L191 HydrophobicContact CG-CD2 4.14Å; A81-L191 HydrophobicContact CB-CD2 3.8Å; L187-L191 WeakPolarHBondContact O-CG 3.44Å; L187-L191 PolarHBondContact O-N 2.77Å; L188-L191 PolarHBondContact O-N 3.15Å; E189-L191 VanDerWaalsContact C-N 3.31Å; E189-L191 PolarHBondContact O-N 2.93Å; L191-G193 PolarHBondContact O-N 3.36Å; L191-V194 HydrophobicContact CB-CG2 4.21Å; L191-V194 VanDerWaalsContact O-CG2 3.23Å; L191-V194 WeakPolarHBondContact O-CG2 3.42Å; L191-A282 WeakPolarHBondContact CD1-O 3.27Å; L191-P285 HydrophobicContact CD1-CB 4.08Å; L191-P285 HydrophobicContact CD2-CB 4.33Å; L191-A286 HydrophobicContact CD1-CB 3.54Å
192	A	81.2	Confident	94.8	Very high	103 Å²	103	36.7 Å²	36.7	85%	0.851	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	29.9	-175.4	0	0	0	0	0	113.4	C190	C190-A192 VanDerWaalsContact C-N 3.31Å; C190-A192 PolarHBondContact O-N 3.22Å
193	G	79.4	Confident	94.8	Very high	31 Å²	31	36.7 Å²	36.7	32%	0.32	21%	0.205	S	C	.	.			trans	65.7	44	176.5	0	0	0	0	0	113.5	E189 L191 K195	E189-G193 WeakPolarHBondContact O-CA 3.3Å; E189-G193 PolarHBondContact O-N 3.06Å; E189-G193 VanDerWaalsContact O-N 3.14Å; L191-G193 PolarHBondContact O-N 3.36Å; G193-K195 PolarHBondContact O-N 2.83Å
194	V	89.9	Confident	94.8	Very high	18 Å²	18	37.3 Å²	37.3	11%	0.109	21%	0.209	C	C	.	.			trans	-51.7	116.3	175.2	176.9	0	0	0	0	109.3	L188 L191 N196 A199 A282 A283	L188-V194 HydrophobicContact CB-CB 4.49Å; L188-V194 HydrophobicContact CD2-CG1 4.48Å; L188-V194 PolarHBondContact O-N 3.03Å; L191-V194 HydrophobicContact CB-CG2 4.21Å; L191-V194 VanDerWaalsContact O-CG2 3.23Å; L191-V194 WeakPolarHBondContact O-CG2 3.42Å; V194-N196 HydrophobicContact CG1-CB 4.14Å; V194-A199 HydrophobicContact CG1-CB 4.12Å; V194-A282 HydrophobicContact CG2-CB 4.15Å; V194-A283 HydrophobicContact CG1-CB 4.09Å; V194-A283 HydrophobicContact CG2-CB 4.29Å
195	K	89.4	Confident	94.8	Very high	198 Å²	198	38.7 Å²	38.7	86%	0.861	22%	0.216	S	C	*	.			trans	-119.9	92.7	172.3	-70.5	176.5	-174.7	-178	0	107.8	G193	G193-K195 PolarHBondContact O-N 2.83Å
196	N	94.9	Very high	94.8	Very high	40 Å²	40	37.9 Å²	37.9	21%	0.214	21%	0.213	C	C	.	.			trans	-147.7	126.3	-177.3	177.7	-76.7	0	0	0	109.9	V194 H198 A199 D200 P280	V194-N196 HydrophobicContact CG1-CB 4.14Å; N196-H198 VanDerWaalsContact C-N 3.31Å; N196-H198 PolarHBondContact O-N 3.41Å; N196-H198 WeakPolarHBondContact OD1-CA 3.48Å; N196-H198 WeakPolarHBondContact OD1-CB 3.37Å; N196-H198 PolarHBondContact OD1-N 2.86Å; N196-A199 HydrophobicContact CB-CB 3.99Å; N196-A199 WeakPolarHBondContact O-CB 3.42Å; N196-A199 PolarHBondContact O-N 3.22Å; N196-A199 VanDerWaalsContact O-N 3.14Å; N196-A199 PolarHBondContact OD1-N 3.18Å; N196-D200 PolarHBondContact O-N 3.44Å; N196-P280 HydrophobicContact CB-CG 3.9Å
197	V	95.9	Very high	94.8	Very high	92 Å²	92	37.9 Å²	37.9	56%	0.558	21%	0.213	S	C	*	.	H	α-helix	trans	-62.5	-36.4	-175.4	176.3	0	0	0	0	112.2	D200 H201	V197-D200 PolarHBondContact O-N 3.23Å; V197-H201 WeakPolarHBondContact CG1-NE2 3.48Å; V197-H201 PolarHBondContact O-CD2 3.17Å; V197-H201 PolarHBondContact O-N 3.2Å
198	H	96.8	Very high	94.9	Very high	69 Å²	69	39.6 Å²	39.6	32%	0.319	22%	0.22	S	C	.	.	H	α-helix	trans	-71.2	-35.9	176.8	-60.4	-68.7	0	0	0	112.1	N196 D200 H201 A202 F275 N278 V279	N196-H198 VanDerWaalsContact C-N 3.31Å; N196-H198 PolarHBondContact O-N 3.41Å; N196-H198 WeakPolarHBondContact OD1-CA 3.48Å; N196-H198 WeakPolarHBondContact OD1-CB 3.37Å; N196-H198 PolarHBondContact OD1-N 2.86Å; H198-D200 VanDerWaalsContact C-N 3.33Å; H198-H201 PolarHBondContact O-N 3.36Å; H198-A202 WeakPolarHBondContact O-CB 3.39Å; H198-A202 PolarHBondContact O-N 2.97Å; H198-F275 HydrophobicContact CB-CB 4.45Å; H198-F275 AromaticContact ND1-CD1 3.87Å; H198-N278 HydrophobicContact CB-CB 3.88Å; H198-N278 VanDerWaalsContact CD2-CB 3.46Å; H198-N278 WeakPolarHBondContact CD2-CB 3.48Å; H198-V279 HydrophobicContact CB-CG2 4.28Å
199	A	96.9	Very high	95	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.9	-39.8	171.2	0	0	0	0	0	111.1	L188 V194 N196 A202 A203 V279 A283 F287	L188-A199 HydrophobicContact CD1-CB 4.2Å; L188-A199 HydrophobicContact CD2-CB 4.46Å; V194-A199 HydrophobicContact CG1-CB 4.12Å; N196-A199 HydrophobicContact CB-CB 3.99Å; N196-A199 WeakPolarHBondContact O-CB 3.42Å; N196-A199 PolarHBondContact O-N 3.22Å; N196-A199 VanDerWaalsContact O-N 3.14Å; N196-A199 PolarHBondContact OD1-N 3.18Å; A199-A202 PolarHBondContact O-N 3.26Å; A199-A203 VanDerWaalsContact O-CB 3.27Å; A199-A203 WeakPolarHBondContact O-CB 3.18Å; A199-A203 PolarHBondContact O-N 3.04Å; A199-V279 HydrophobicContact CB-CG1 4.49Å; A199-A283 HydrophobicContact CB-CB 4.15Å; A199-F287 HydrophobicContact CB-CZ 4.45Å; A199-F287 WeakPolarHBondContact O-CZ 3.36Å
200	D	96.7	Very high	95	Very high	62 Å²	62	39.7 Å²	39.7	33%	0.332	22%	0.22	S	C	.	.	H	α-helix	trans	-65.4	-43.1	175	-67.3	-24	0	0	0	111.7	Y185 N196 V197 H198 A203 S204	Y185-D200 HydrophobicContact CE1-CB 4.25Å; Y185-D200 WeakPolarHBondContact CE1-O 3.36Å; N196-D200 PolarHBondContact O-N 3.44Å; V197-D200 PolarHBondContact O-N 3.23Å; H198-D200 VanDerWaalsContact C-N 3.33Å; D200-A203 PolarHBondContact O-N 3.29Å; D200-S204 PolarHBondContact O-N 3.28Å
201	H	97.7	Very high	95.1	Very high	88 Å²	88	39.9 Å²	39.9	41%	0.407	22%	0.223	S	C	.	.	H	α-helix	trans	-62.9	-42.9	174.5	-72.5	-47.9	0	0	0	112.4	V197 H198 S204 H205 F275	V197-H201 WeakPolarHBondContact CG1-NE2 3.48Å; V197-H201 PolarHBondContact O-CD2 3.17Å; V197-H201 PolarHBondContact O-N 3.2Å; H198-H201 PolarHBondContact O-N 3.36Å; H201-S204 WeakPolarHBondContact O-CB 3.3Å; H201-S204 PolarHBondContact O-N 3.44Å; H201-H205 PolarHBondContact O-CD2 3.32Å; H201-H205 PolarHBondContact O-N 3.07Å; H201-H205 VanDerWaalsContact O-N 3.14Å; H201-F275 HydrophobicContact CB-CD2 4.17Å; H201-F275 HydrophobicContact CB-CE1 4.26Å; H201-F275 HydrophobicContact CB-CE2 3.86Å; H201-F275 HydrophobicContact CB-CZ 3.9Å
202	A	98.1	Very high	95.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.1	-47.2	174.1	0	0	0	0	0	111.1	H198 A199 S204 H205 I206 F275 V279 F287 Y332	H198-A202 WeakPolarHBondContact O-CB 3.39Å; H198-A202 PolarHBondContact O-N 2.97Å; A199-A202 PolarHBondContact O-N 3.26Å; A202-S204 VanDerWaalsContact C-N 3.33Å; A202-S204 PolarHBondContact O-N 2.92Å; A202-H205 PolarHBondContact O-N 3.04Å; A202-I206 WeakPolarHBondContact O-CB 3.17Å; A202-I206 WeakPolarHBondContact O-CD1 3.19Å; A202-I206 WeakPolarHBondContact O-CG1 3.28Å; A202-I206 PolarHBondContact O-N 3.15Å; A202-F275 HydrophobicContact CB-CB 4.42Å; A202-V279 HydrophobicContact CB-CG2 4.12Å; A202-F287 HydrophobicContact CB-CE2 3.97Å; A202-F287 HydrophobicContact CB-CZ 4.06Å; A202-Y332 HydrophobicContact CB-CE2 4.25Å
203	A	98.1	Very high	96.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.8	-40.7	177	0	0	0	0	0	112.5	L184 Y185 L188 A199 D200 G207 F287	L184-A203 HydrophobicContact CB-CB 3.95Å; L184-A203 WeakPolarHBondContact CD1-O 3.35Å; Y185-A203 HydrophobicContact CD1-CB 3.83Å; Y185-A203 HydrophobicContact CE1-CB 3.67Å; L188-A203 HydrophobicContact CD1-CB 3.82Å; A199-A203 VanDerWaalsContact O-CB 3.27Å; A199-A203 WeakPolarHBondContact O-CB 3.18Å; A199-A203 PolarHBondContact O-N 3.04Å; D200-A203 PolarHBondContact O-N 3.29Å; A203-G207 PolarHBondContact O-N 3.43Å; A203-F287 HydrophobicContact CB-CE1 3.8Å; A203-F287 HydrophobicContact CB-CZ 4.15Å
204	S	98.5	Very high	96.9	Very high	17 Å²	17	36.2 Å²	36.2	12%	0.119	18%	0.184	C	C	.	.	H	α-helix	trans	-57.6	-51.3	175.1	-176.9	0	0	0	0	111.6	E177 S181 Y185 D200 H201 A202 G207 K208	E177-S204 WeakPolarHBondContact OE2-CA 3.3Å; E177-S204 WeakPolarHBondContact OE2-CB 3.49Å; E177-S204 PolarHBondContact OE2-OG 3.22Å; S181-S204 PolarHBondContact OG-O 3.49Å; Y185-S204 WeakPolarHBondContact OH-CA 3.3Å; Y185-S204 VanDerWaalsContact OH-CB 3.24Å; Y185-S204 WeakPolarHBondContact OH-CB 3.44Å; D200-S204 PolarHBondContact O-N 3.28Å; H201-S204 WeakPolarHBondContact O-CB 3.3Å; H201-S204 PolarHBondContact O-N 3.44Å; A202-S204 VanDerWaalsContact C-N 3.33Å; A202-S204 PolarHBondContact O-N 2.92Å; S204-G207 PolarHBondContact O-N 3.25Å; S204-K208 VanDerWaalsContact O-CG 3.3Å; S204-K208 WeakPolarHBondContact O-CG 3.39Å; S204-K208 PolarHBondContact O-N 2.99Å; S204-K208 VanDerWaalsContact O-N 3.07Å
205	H	98.6	Very high	97.3	Very high	34 Å²	34	36.1 Å²	36.1	16%	0.157	18%	0.184	C	C	.	.	H	α-helix	trans	-69.3	-41.2	-178.5	-81.1	-64.7	0	0	0	112.5	H201 A202 G207 K208 A209 H268 H271 A272 F275	H201-H205 PolarHBondContact O-CD2 3.32Å; H201-H205 PolarHBondContact O-N 3.07Å; H201-H205 VanDerWaalsContact O-N 3.14Å; A202-H205 PolarHBondContact O-N 3.04Å; H205-G207 PolarHBondContact O-N 3.41Å; H205-K208 PolarHBondContact O-N 3.46Å; H205-A209 WeakPolarHBondContact O-CB 3.32Å; H205-A209 PolarHBondContact O-N 3.26Å; H205-H268 HydrophobicContact CB-CB 4.49Å; H205-H268 WeakPolarHBondContact CB-O 3.44Å; H205-H268 AromaticContact CE1-ND1 3.71Å; H205-H268 AromaticContact ND1-CE1 3.74Å; H205-H268 AromaticContact ND1-CG 3.83Å; H205-H268 AromaticContact ND1-ND1 3.07Å; H205-H268 PolarHBondContact ND1-ND1 2.83Å; H205-H271 AromaticContact CE1-ND1 3.95Å; H205-A272 HydrophobicContact CB-CB 3.87Å; H205-F275 AromaticContact CD2-CE2 3.98Å
206	I	98.6	Very high	97.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61	-47.4	175.4	-66.1	164.6	0	0	0	110.2	L184 A202 K208 A209 Q210 A272 F287 T290 Y332	L184-I206 HydrophobicContact CD1-CB 3.88Å; L184-I206 HydrophobicContact CD1-CG2 3.69Å; A202-I206 WeakPolarHBondContact O-CB 3.17Å; A202-I206 WeakPolarHBondContact O-CD1 3.19Å; A202-I206 WeakPolarHBondContact O-CG1 3.28Å; A202-I206 PolarHBondContact O-N 3.15Å; I206-K208 VanDerWaalsContact C-N 3.33Å; I206-K208 PolarHBondContact O-N 2.76Å; I206-A209 PolarHBondContact O-N 2.74Å; I206-Q210 HydrophobicContact CG2-CG 4.18Å; I206-Q210 WeakPolarHBondContact O-CB 3.44Å; I206-Q210 VanDerWaalsContact O-CG 3.28Å; I206-Q210 WeakPolarHBondContact O-CG 3.15Å; I206-Q210 PolarHBondContact O-N 3.15Å; I206-A272 HydrophobicContact CD1-CB 4.16Å; I206-A272 HydrophobicContact CG1-CB 3.54Å; I206-F287 HydrophobicContact CD1-CB 3.82Å; I206-F287 HydrophobicContact CD1-CD1 3.51Å; I206-F287 HydrophobicContact CD1-CD2 4.09Å; I206-F287 HydrophobicContact CD1-CE1 4.08Å; I206-F287 HydrophobicContact CD1-CG 3.53Å; I206-T290 HydrophobicContact CB-CG2 4.48Å; I206-T290 HydrophobicContact CD1-CG2 3.75Å; I206-T290 HydrophobicContact CG1-CG2 3.81Å; I206-T290 HydrophobicContact CG2-CG2 3.79Å; I206-Y332 HydrophobicContact CD1-CD2 3.76Å; I206-Y332 HydrophobicContact CD1-CE2 3.89Å
207	G	98.5	Very high	97.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62	-40.6	-179.5	0	0	0	0	0	112.3	Q180 S181 A203 S204 H205 Q210 G211	Q180-G207 VanDerWaalsContact CB-O 3.3Å; Q180-G207 WeakPolarHBondContact CB-O 3.46Å; S181-G207 WeakPolarHBondContact OG-CA 3.43Å; A203-G207 PolarHBondContact O-N 3.43Å; S204-G207 PolarHBondContact O-N 3.25Å; H205-G207 PolarHBondContact O-N 3.41Å; G207-Q210 PolarHBondContact O-N 2.86Å; G207-G211 PolarHBondContact O-N 3.22Å
208	K	98.8	Very high	97.7	Very high	40 Å²	40	25.6 Å²	25.6	17%	0.174	13%	0.132	C	C	.	.	H	α-helix	trans	-60.5	-50.2	171.9	-70	172.5	-174.2	176.9	0	112.1	E173 E177 S204 H205 I206 Q210 G211 I212 H268	E173-K208 HydrophobicContact CB-CD 4.44Å; E177-K208 HydrophobicContact CB-CG 4.22Å; S204-K208 VanDerWaalsContact O-CG 3.3Å; S204-K208 WeakPolarHBondContact O-CG 3.39Å; S204-K208 PolarHBondContact O-N 2.99Å; S204-K208 VanDerWaalsContact O-N 3.07Å; H205-K208 PolarHBondContact O-N 3.46Å; I206-K208 VanDerWaalsContact C-N 3.33Å; I206-K208 PolarHBondContact O-N 2.76Å; K208-Q210 VanDerWaalsContact C-N 3.3Å; K208-Q210 PolarHBondContact O-N 3.07Å; K208-G211 PolarHBondContact O-N 2.6Å; K208-I212 VanDerWaalsContact O-CG1 3.32Å; K208-I212 WeakPolarHBondContact O-CG1 3.2Å; K208-I212 PolarHBondContact O-N 2.63Å; K208-H268 VanDerWaalsContact CB-CD2 3.41Å; K208-H268 WeakPolarHBondContact CB-CD2 3.41Å
209	A	98.8	Very high	97.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.6	-41.4	178.8	0	0	0	0	0	112.3	H205 I206 I212 A213 A265 H268 L293	H205-A209 WeakPolarHBondContact O-CB 3.32Å; H205-A209 PolarHBondContact O-N 3.26Å; I206-A209 PolarHBondContact O-N 2.74Å; A209-I212 PolarHBondContact O-N 3.1Å; A209-A213 WeakPolarHBondContact O-CB 3.38Å; A209-A213 PolarHBondContact O-N 3.48Å; A209-A265 HydrophobicContact CB-CB 4.49Å; A209-A265 VanDerWaalsContact CB-O 3.29Å; A209-A265 WeakPolarHBondContact CB-O 3.43Å; A209-H268 HydrophobicContact CB-CB 3.82Å; A209-L293 HydrophobicContact CB-CD1 4.43Å; A209-L293 HydrophobicContact CB-CD2 3.47Å; A209-L293 VanDerWaalsContact CB-CD2 3.47Å
210	Q	98.3	Very high	97.7	Very high	30 Å²	30	24 Å²	24	14%	0.14	13%	0.127	C	C	.	.	H	α-helix	trans	-63.9	-42.5	175.6	-73.6	-174.5	-56.8	0	0	112.6	I206 G207 K208 A213 T214 L293	I206-Q210 HydrophobicContact CG2-CG 4.18Å; I206-Q210 WeakPolarHBondContact O-CB 3.44Å; I206-Q210 VanDerWaalsContact O-CG 3.28Å; I206-Q210 WeakPolarHBondContact O-CG 3.15Å; I206-Q210 PolarHBondContact O-N 3.15Å; G207-Q210 PolarHBondContact O-N 2.86Å; K208-Q210 VanDerWaalsContact C-N 3.3Å; K208-Q210 PolarHBondContact O-N 3.07Å; Q210-A213 PolarHBondContact O-N 3.39Å; Q210-T214 VanDerWaalsContact O-CB 3.3Å; Q210-T214 WeakPolarHBondContact O-CB 3.47Å; Q210-T214 PolarHBondContact O-N 2.87Å; Q210-T214 PolarHBondContact O-OG1 3.32Å; Q210-L293 HydrophobicContact CG-CD2 4.25Å
211	G	98	Very high	97.6	Very high	7 Å²	7	25.4 Å²	25.4	7%	0.072	13%	0.129	C	C	.	.	H	α-helix	trans	-66.1	-41.6	177.7	0	0	0	0	0	112.4	S176 G207 K208 T214 C215	S176-G211 VanDerWaalsContact OG-CA 3.32Å; S176-G211 WeakPolarHBondContact OG-CA 3.31Å; G207-G211 PolarHBondContact O-N 3.22Å; K208-G211 PolarHBondContact O-N 2.6Å; G211-T214 PolarHBondContact O-N 2.93Å; G211-C215 PolarHBondContact O-N 3.46Å
212	I	98.7	Very high	97.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.3	-48.8	173.5	-64	166.6	0	0	0	110.9	L172 E173 K208 A209 T214 C215 L216 I261 Q264 A265	L172-I212 HydrophobicContact CD2-CB 4.46Å; L172-I212 HydrophobicContact CD2-CG1 4.07Å; L172-I212 HydrophobicContact CD2-CG2 4.4Å; L172-I212 HydrophobicContact CG-CG1 4.13Å; E173-I212 HydrophobicContact CG-CD1 4.13Å; K208-I212 VanDerWaalsContact O-CG1 3.32Å; K208-I212 WeakPolarHBondContact O-CG1 3.2Å; K208-I212 PolarHBondContact O-N 2.63Å; A209-I212 PolarHBondContact O-N 3.1Å; I212-T214 VanDerWaalsContact C-N 3.28Å; I212-T214 PolarHBondContact O-N 2.95Å; I212-C215 WeakPolarHBondContact O-CB 3.36Å; I212-C215 PolarHBondContact O-N 3.19Å; I212-C215 VanDerWaalsContact O-N 3.17Å; I212-L216 PolarHBondContact O-N 3.35Å; I212-L216 VanDerWaalsContact O-N 3.08Å; I212-I261 HydrophobicContact CG2-CG2 3.45Å; I212-I261 VanDerWaalsContact CG2-CG2 3.45Å; I212-I261 WeakPolarHBondContact CG2-O 3.39Å; I212-Q264 HydrophobicContact CD1-CB 4.49Å; I212-A265 HydrophobicContact CB-CB 3.98Å; I212-A265 HydrophobicContact CG2-CB 3.76Å
213	A	98.1	Very high	97.4	Very high	2 Å²	2	22.6 Å²	22.6	2%	0.017	12%	0.117	C	C	.	.	H	α-helix	trans	-62.9	-35.2	177.6	0	0	0	0	0	112.5	A209 Q210 L216 R217 L293 Y296	A209-A213 WeakPolarHBondContact O-CB 3.38Å; A209-A213 PolarHBondContact O-N 3.48Å; Q210-A213 PolarHBondContact O-N 3.39Å; A213-L216 PolarHBondContact O-N 3.08Å; A213-R217 VanDerWaalsContact O-CB 3.28Å; A213-R217 WeakPolarHBondContact O-CB 3.45Å; A213-R217 PolarHBondContact O-N 3.36Å; A213-L293 HydrophobicContact CB-CD1 3.38Å; A213-Y296 HydrophobicContact CB-CD1 3.97Å; A213-Y296 HydrophobicContact CB-CE1 4.3Å
214	T	96.7	Very high	97.3	Very high	63 Å²	63	27 Å²	27	39%	0.387	15%	0.148	S	C	.	.	H	α-helix	trans	-66.4	-40.3	174.9	-59.9	0	0	0	0	111.2	Q210 G211 I212 R217 A218	Q210-T214 VanDerWaalsContact O-CB 3.3Å; Q210-T214 WeakPolarHBondContact O-CB 3.47Å; Q210-T214 PolarHBondContact O-N 2.87Å; Q210-T214 PolarHBondContact O-OG1 3.32Å; G211-T214 PolarHBondContact O-N 2.93Å; I212-T214 VanDerWaalsContact C-N 3.28Å; I212-T214 PolarHBondContact O-N 2.95Å; T214-R217 PolarHBondContact O-N 2.9Å; T214-A218 VanDerWaalsContact O-CB 3.28Å; T214-A218 WeakPolarHBondContact O-CB 3.46Å; T214-A218 PolarHBondContact O-N 3.36Å
215	C	97.1	Very high	97.1	Very high	17 Å²	17	32.3 Å²	32.3	12%	0.115	17%	0.166	C	C	.	.	H	α-helix	trans	-57.6	-50.2	174	-177.6	0	0	0	0	110.9	L172 G211 I212 R217 A218 T219 Y229	L172-C215 HydrophobicContact CD1-CB 3.91Å; L172-C215 HydrophobicContact CD2-CB 4.08Å; G211-C215 PolarHBondContact O-N 3.46Å; I212-C215 WeakPolarHBondContact O-CB 3.36Å; I212-C215 PolarHBondContact O-N 3.19Å; I212-C215 VanDerWaalsContact O-N 3.17Å; C215-R217 PolarHBondContact O-N 3.17Å; C215-A218 PolarHBondContact O-N 3.28Å; C215-T219 PolarHBondContact O-N 2.95Å; C215-T219 PolarHBondContact O-OG1 3.46Å; C215-Y229 PolarHBondContact SG-O 3.49Å
216	L	97.8	Very high	96.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.7	-46.6	175.6	-71.1	177.8	0	0	0	112.5	I212 A213 A218 T219 L230 V258 I261 A262 Y296 V307	I212-L216 PolarHBondContact O-N 3.35Å; I212-L216 VanDerWaalsContact O-N 3.08Å; A213-L216 PolarHBondContact O-N 3.08Å; L216-A218 PolarHBondContact O-N 2.92Å; L216-T219 VanDerWaalsContact O-CB 3.31Å; L216-T219 WeakPolarHBondContact O-CB 3.46Å; L216-T219 PolarHBondContact O-N 3.45Å; L216-T219 VanDerWaalsContact O-N 3.11Å; L216-T219 PolarHBondContact O-OG1 3.08Å; L216-L230 HydrophobicContact CD2-CD2 3.99Å; L216-V258 HydrophobicContact CD2-CG1 4.18Å; L216-V258 HydrophobicContact CD2-CG2 4.46Å; L216-I261 HydrophobicContact CD1-CB 4.41Å; L216-I261 HydrophobicContact CD1-CG2 3.93Å; L216-I261 HydrophobicContact CD2-CB 4Å; L216-I261 HydrophobicContact CD2-CD1 4.31Å; L216-I261 HydrophobicContact CD2-CG2 3.7Å; L216-I261 HydrophobicContact CG-CB 4.46Å; L216-I261 HydrophobicContact CG-CG2 3.75Å; L216-A262 HydrophobicContact CD1-CB 3.81Å; L216-Y296 HydrophobicContact CB-CE1 4.16Å; L216-V307 WeakPolarHBondContact O-CG2 3.46Å
217	R	96.2	Very high	96.7	Very high	81 Å²	81	42.3 Å²	42.3	31%	0.306	20%	0.204	S	C	.	.	H	α-helix	trans	-62.4	-32.5	-180	-172.1	-175.3	-62.4	171.9	-6.9	112.3	E69 A213 T214 C215 T219 Y296	E69-R217 IonicContact OE1-NH1 3.35Å; E69-R217 IonicContact OE2-CZ 2.68Å; E69-R217 IonicContact OE2-NH1 3.32Å; E69-R217 PolarHBondContact OE2-NH1 3.32Å; E69-R217 IonicContact OE2-NH2 3.85Å; A213-R217 VanDerWaalsContact O-CB 3.28Å; A213-R217 WeakPolarHBondContact O-CB 3.45Å; A213-R217 PolarHBondContact O-N 3.36Å; T214-R217 PolarHBondContact O-N 2.9Å; C215-R217 PolarHBondContact O-N 3.17Å; R217-T219 VanDerWaalsContact C-N 3.33Å; R217-Y296 VanDerWaalsContact CA-OH 3.25Å; R217-Y296 WeakPolarHBondContact CA-OH 3.39Å; R217-Y296 HydrophobicContact CB-CE1 4.38Å; R217-Y296 HydrophobicContact CB-CE2 3.92Å; R217-Y296 HydrophobicContact CG-CE2 3.96Å; R217-Y296 PolarHBondContact N-OH 2.83Å; R217-Y296 VanDerWaalsContact N-OH 3.14Å
218	A	95.7	Very high	96.5	Very high	28 Å²	28	43 Å²	43	23%	0.231	21%	0.208	C	C	.	.	H	α-helix	trans	-80	-12.8	179.3	0	0	0	0	0	113.2	T214 C215 L216 Y221 N222	T214-A218 VanDerWaalsContact O-CB 3.28Å; T214-A218 WeakPolarHBondContact O-CB 3.46Å; T214-A218 PolarHBondContact O-N 3.36Å; C215-A218 PolarHBondContact O-N 3.28Å; L216-A218 PolarHBondContact O-N 2.92Å; A218-Y221 PolarHBondContact O-N 3.44Å; A218-Y221 VanDerWaalsContact O-N 3.11Å; A218-N222 WeakPolarHBondContact CB-ND2 3.46Å; A218-N222 PolarHBondContact O-N 2.94Å; A218-N222 PolarHBondContact O-ND2 3.23Å
219	T	96.8	Very high	96.3	Very high	7 Å²	7	42.4 Å²	42.4	4%	0.043	21%	0.205	C	C	.	.	H	α-helix	trans	-51.3	-51.5	-177.3	-61.2	0	0	0	0	113	C215 L216 R217 Y221 N222 S223 L230 F245 V307 F308	C215-T219 PolarHBondContact O-N 2.95Å; C215-T219 PolarHBondContact O-OG1 3.46Å; L216-T219 VanDerWaalsContact O-CB 3.31Å; L216-T219 WeakPolarHBondContact O-CB 3.46Å; L216-T219 PolarHBondContact O-N 3.45Å; L216-T219 VanDerWaalsContact O-N 3.11Å; L216-T219 PolarHBondContact O-OG1 3.08Å; R217-T219 VanDerWaalsContact C-N 3.33Å; T219-Y221 VanDerWaalsContact C-N 3.31Å; T219-Y221 PolarHBondContact O-N 3.37Å; T219-N222 PolarHBondContact O-N 2.69Å; T219-S223 VanDerWaalsContact O-CB 3.31Å; T219-S223 WeakPolarHBondContact O-CB 3.37Å; T219-S223 PolarHBondContact O-N 2.95Å; T219-S223 PolarHBondContact O-OG 3.35Å; T219-S223 VanDerWaalsContact O-OG 3.07Å; T219-L230 HydrophobicContact CG2-CD1 4.31Å; T219-F245 HydrophobicContact CG2-CD1 4.1Å; T219-V307 HydrophobicContact CG2-CG1 3.96Å; T219-V307 HydrophobicContact CG2-CG2 4.38Å; T219-F308 HydrophobicContact CG2-CE1 4.33Å; T219-F308 HydrophobicContact CG2-CZ 4.02Å
220	P	96.3	Very high	96.2	Very high	27 Å²	27	42.4 Å²	42.4	18%	0.175	21%	0.205	C	C	.	.	H	α-helix	trans	-60.3	-38.8	179.8	-24.8	36.6	0	0	0	113.6	S224 V307 F308 L313	P220-S224 PolarHBondContact O-N 2.84Å; P220-V307 VanDerWaalsContact CG-O 3.27Å; P220-V307 WeakPolarHBondContact CG-O 3.45Å; P220-F308 HydrophobicContact CB-CD1 4.02Å; P220-F308 HydrophobicContact CB-CE1 4.32Å; P220-F308 HydrophobicContact CG-CD1 4Å; P220-F308 HydrophobicContact CG-CE1 4.37Å; P220-L313 HydrophobicContact CB-CD2 4.28Å; P220-L313 HydrophobicContact CG-CD2 4.3Å
221	Y	95.1	Very high	96.2	Very high	92 Å²	92	41 Å²	41	36%	0.361	20%	0.198	S	C	.	.	H	α-helix	trans	-66.9	-46.7	177.6	168.6	-97.5	0	0	0	111.3	D100 A218 T219 S224 R225	D100-Y221 VanDerWaalsContact CG-OH 3.27Å; D100-Y221 PolarHBondContact OD1-OH 2.99Å; A218-Y221 PolarHBondContact O-N 3.44Å; A218-Y221 VanDerWaalsContact O-N 3.11Å; T219-Y221 VanDerWaalsContact C-N 3.31Å; T219-Y221 PolarHBondContact O-N 3.37Å; Y221-S224 PolarHBondContact O-N 2.94Å; Y221-S224 PolarHBondContact O-OG 3.21Å; Y221-R225 VanDerWaalsContact CZ-CZ 3.49Å; Y221-R225 PolarHBondContact OH-NE 3.14Å; Y221-R225 PolarHBondContact OH-NH1 3.3Å; Y221-R225 VanDerWaalsContact OH-NH1 3.08Å; Y221-R225 PolarHBondContact OH-NH2 2.63Å; Y221-R225 VanDerWaalsContact OH-NH2 3.11Å
222	N	95.3	Very high	96.2	Very high	23 Å²	23	42.8 Å²	42.8	12%	0.123	21%	0.205	C	C	.	.	H	α-helix	trans	-66.7	-42.3	179.7	-68.2	-36.1	0	0	0	111.9	A218 T219 S224 R225 R226 K227 Y229	A218-N222 WeakPolarHBondContact CB-ND2 3.46Å; A218-N222 PolarHBondContact O-N 2.94Å; A218-N222 PolarHBondContact O-ND2 3.23Å; T219-N222 PolarHBondContact O-N 2.69Å; N222-S224 VanDerWaalsContact C-N 3.3Å; N222-S224 PolarHBondContact O-N 3.43Å; N222-R225 CarbonylContact O-C 3.57Å; N222-R225 WeakPolarHBondContact O-CA 3.35Å; N222-R225 WeakPolarHBondContact O-CB 3.12Å; N222-R225 PolarHBondContact O-N 2.75Å; N222-R226 PolarHBondContact O-N 2.77Å; N222-K227 CarbonylContact C-O 3.01Å; N222-K227 HydrophobicContact CB-CB 4.45Å; N222-K227 WeakPolarHBondContact CB-O 3.46Å; N222-K227 PolarHBondContact O-N 2.92Å; N222-K227 VanDerWaalsContact O-O 3.09Å; N222-Y229 HydrophobicContact CB-CD2 4.11Å; N222-Y229 HydrophobicContact CB-CE2 4.25Å; N222-Y229 WeakPolarHBondContact ND2-CD2 3.32Å
223	S	95.9	Very high	96.2	Very high	6 Å²	6	45.7 Å²	45.7	4%	0.042	22%	0.221	C	C	.	.	H	α-helix	trans	-56.7	-42	174.9	-71.8	0	0	0	0	112.3	T219 R225 R226 K227 F245	T219-S223 VanDerWaalsContact O-CB 3.31Å; T219-S223 WeakPolarHBondContact O-CB 3.37Å; T219-S223 PolarHBondContact O-N 2.95Å; T219-S223 PolarHBondContact O-OG 3.35Å; T219-S223 VanDerWaalsContact O-OG 3.07Å; S223-R225 PolarHBondContact O-N 3.32Å; S223-R225 VanDerWaalsContact O-N 3.13Å; S223-R226 WeakPolarHBondContact O-CA 3.48Å; S223-R226 PolarHBondContact O-N 3.05Å; S223-K227 PolarHBondContact N-O 2.68Å; S223-F245 WeakPolarHBondContact CB-O 3.29Å; S223-F245 PolarHBondContact OG-O 3.38Å
224	S	95	Very high	96.2	Very high	92 Å²	92	46.2 Å²	46.2	64%	0.643	22%	0.223	S	C	*	.	H	α-helix	trans	-61.7	-22.1	176.8	79.1	0	0	0	0	113.3	P220 Y221 N222	P220-S224 PolarHBondContact O-N 2.84Å; Y221-S224 PolarHBondContact O-N 2.94Å; Y221-S224 PolarHBondContact O-OG 3.21Å; N222-S224 VanDerWaalsContact C-N 3.3Å; N222-S224 PolarHBondContact O-N 3.43Å
225	R	94.3	Very high	96.2	Very high	130 Å²	130	43.3 Å²	43.3	49%	0.491	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	13.4	175.3	-62.6	-176.5	173.1	-148.1	-4.9	112.9	D100 Y221 N222 S223 K227	D100-R225 IonicContact OD1-NH1 2.9Å; Y221-R225 VanDerWaalsContact CZ-CZ 3.49Å; Y221-R225 PolarHBondContact OH-NE 3.14Å; Y221-R225 PolarHBondContact OH-NH1 3.3Å; Y221-R225 VanDerWaalsContact OH-NH1 3.08Å; Y221-R225 PolarHBondContact OH-NH2 2.63Å; Y221-R225 VanDerWaalsContact OH-NH2 3.11Å; N222-R225 CarbonylContact O-C 3.57Å; N222-R225 WeakPolarHBondContact O-CA 3.35Å; N222-R225 WeakPolarHBondContact O-CB 3.12Å; N222-R225 PolarHBondContact O-N 2.75Å; S223-R225 PolarHBondContact O-N 3.32Å; S223-R225 VanDerWaalsContact O-N 3.13Å; R225-K227 PolarHBondContact O-N 3.26Å
226	R	94.9	Very high	96.3	Very high	170 Å²	170	49.5 Å²	49.5	64%	0.642	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	32.7	-177.8	-51.8	-176.4	64.3	80.4	10	113.3	N222 S223 E243 I246	N222-R226 PolarHBondContact O-N 2.77Å; S223-R226 WeakPolarHBondContact O-CA 3.48Å; S223-R226 PolarHBondContact O-N 3.05Å; R226-E243 IonicContact NH2-OE2 3.78Å; R226-I246 HydrophobicContact CB-CD1 4.39Å; R226-I246 HydrophobicContact CB-CG2 4.41Å; R226-I246 HydrophobicContact CG-CG2 4.19Å
227	K	94	Very high	96.3	Very high	74 Å²	74	55.4 Å²	55.4	32%	0.322	27%	0.265	S	S	.	.			trans	-118.4	142.6	176.5	-58.3	-162.4	-173.5	-177.6	0	110.8	D163 N222 S223 R225 Y229	D163-K227 VanDerWaalsContact CG-NZ 3.29Å; D163-K227 IonicContact OD1-NZ 2.69Å; D163-K227 PolarHBondContact OD1-NZ 2.92Å; D163-K227 IonicContact OD2-NZ 3.95Å; D163-K227 PolarHBondContact OD2-NZ 3.34Å; N222-K227 CarbonylContact C-O 3.01Å; N222-K227 HydrophobicContact CB-CB 4.45Å; N222-K227 WeakPolarHBondContact CB-O 3.46Å; N222-K227 PolarHBondContact O-N 2.92Å; N222-K227 VanDerWaalsContact O-O 3.09Å; S223-K227 PolarHBondContact N-O 2.68Å; R225-K227 PolarHBondContact O-N 3.26Å; K227-Y229 HydrophobicContact CB-CE2 3.86Å; K227-Y229 HydrophobicContact CD-CE2 4.14Å; K227-Y229 WeakPolarHBondContact CD-OH 3.35Å
228	V	95.1	Very high	96.4	Very high	14 Å²	14	53.9 Å²	53.9	9%	0.085	26%	0.262	C	S	.	.			trans	-132.3	121.3	177	-177.3	0	0	0	0	108.5	L230 Q242 F245 I246	V228-L230 HydrophobicContact CG1-CB 4.27Å; V228-L230 HydrophobicContact CG1-CD1 4.47Å; V228-L230 HydrophobicContact CG1-CG 4.36Å; V228-Q242 HydrophobicContact CB-CB 4.42Å; V228-Q242 HydrophobicContact CB-CG 4.26Å; V228-Q242 HydrophobicContact CG1-CG 4.46Å; V228-Q242 HydrophobicContact CG2-CB 4.08Å; V228-Q242 HydrophobicContact CG2-CG 4.47Å; V228-F245 HydrophobicContact CG1-CB 4.4Å; V228-F245 HydrophobicContact CG1-CD2 4.24Å; V228-F245 HydrophobicContact CG1-CG 4.37Å; V228-F245 HydrophobicContact CG2-CB 3.89Å; V228-I246 HydrophobicContact CG2-CD1 4.47Å; V228-I246 HydrophobicContact CG2-CG1 3.96Å
229	Y	94.8	Very high	96.5	Very high	27 Å²	27	55.2 Å²	55.2	11%	0.106	28%	0.278	C	S	.	.			trans	-117	23.6	-179.7	-57.3	-77.7	0	0	0	112	K99 D163 Y166 C215 N222 K227	K99-Y229 WeakPolarHBondContact CE-OH 3.35Å; D163-Y229 PolarHBondContact OD1-OH 3.48Å; Y166-Y229 WeakPolarHBondContact CD2-O 3.41Å; Y166-Y229 WeakPolarHBondContact CE2-O 3.47Å; C215-Y229 PolarHBondContact SG-O 3.49Å; N222-Y229 HydrophobicContact CB-CD2 4.11Å; N222-Y229 HydrophobicContact CB-CE2 4.25Å; N222-Y229 WeakPolarHBondContact ND2-CD2 3.32Å; K227-Y229 HydrophobicContact CB-CE2 3.86Å; K227-Y229 HydrophobicContact CD-CE2 4.14Å; K227-Y229 WeakPolarHBondContact CD-OH 3.35Å
230	L	96.8	Very high	96.6	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	28%	0.279	C	S	.	.	S	Bend	trans	-78.9	151.1	174.3	-63.1	172	0	0	0	110	L216 T219 V228 M232 F245 V257 I261	L216-L230 HydrophobicContact CD2-CD2 3.99Å; T219-L230 HydrophobicContact CG2-CD1 4.31Å; V228-L230 HydrophobicContact CG1-CB 4.27Å; V228-L230 HydrophobicContact CG1-CD1 4.47Å; V228-L230 HydrophobicContact CG1-CG 4.36Å; L230-M232 PolarHBondContact O-N 3.16Å; L230-F245 HydrophobicContact CD1-CD1 3.57Å; L230-F245 HydrophobicContact CD1-CD2 4.43Å; L230-F245 HydrophobicContact CD1-CE1 3.2Å; L230-F245 HydrophobicContact CD1-CE2 4.16Å; L230-F245 HydrophobicContact CD1-CG 4.18Å; L230-F245 HydrophobicContact CD1-CZ 3.55Å; L230-V257 HydrophobicContact CD1-CG1 4.41Å; L230-I261 HydrophobicContact CB-CD1 4.26Å; L230-I261 HydrophobicContact CD2-CD1 3.82Å; L230-I261 HydrophobicContact CG-CD1 4.49Å
231	P	98	Very high	96.6	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.289	C	S	.	.			trans	-53.4	120.3	173.5	-27.6	36.7	0	0	0	112.8	L169 L172 D233 I234 C235 I261	L169-P231 HydrophobicContact CD1-CG 4.18Å; L172-P231 HydrophobicContact CB-CG 4.43Å; L172-P231 HydrophobicContact CD2-CG 3.98Å; P231-D233 VanDerWaalsContact CB-OD1 3.25Å; P231-D233 WeakPolarHBondContact CB-OD1 3.38Å; P231-D233 PolarHBondContact O-N 3.11Å; P231-I234 HydrophobicContact CB-CB 4.49Å; P231-I234 HydrophobicContact CB-CD1 4.11Å; P231-I234 HydrophobicContact CB-CG1 4.3Å; P231-I234 HydrophobicContact CG-CD1 4.38Å; P231-I234 PolarHBondContact O-N 3.3Å; P231-C235 PolarHBondContact O-N 2.63Å; P231-C235 PolarHBondContact O-SG 3.25Å; P231-C235 VanDerWaalsContact O-SG 3.34Å; P231-I261 HydrophobicContact CG-CD1 4.35Å; P231-I261 HydrophobicContact CG-CG1 4.47Å
232	M	97.6	Very high	96.7	Very high	45 Å²	45	56.3 Å²	56.3	22%	0.222	29%	0.291	C	S	.	.	H	α-helix	trans	-70.5	-30.7	-173.2	-70.2	-54.9	-51.1	0	0	113.5	A165 Y166 L230 C235 M236 Q242	A165-M232 HydrophobicContact CB-CG 4.01Å; A165-M232 HydrophobicContact CB-SD 4.26Å; Y166-M232 WeakPolarHBondContact O-CG 3.41Å; Y166-M232 PolarHBondContact O-N 3.23Å; L230-M232 PolarHBondContact O-N 3.16Å; M232-C235 HydrophobicContact CE-CB 4.43Å; M232-C235 PolarHBondContact O-N 3.1Å; M232-M236 WeakPolarHBondContact O-CB 3.37Å; M232-M236 VanDerWaalsContact O-CG 3.24Å; M232-M236 WeakPolarHBondContact O-CG 3.26Å; M232-M236 PolarHBondContact O-N 3.08Å; M232-Q242 HydrophobicContact CE-CG 4.06Å; M232-Q242 HydrophobicContact SD-CG 4.17Å; M232-Q242 PolarHBondContact SD-NE2 3.28Å
233	D	97.8	Very high	96.7	Very high	60 Å²	60	58 Å²	58	32%	0.321	30%	0.298	S	S	.	.	H	α-helix	trans	-59.3	-44	173.1	61.8	-20	0	0	0	112.7	R167 N168 P231 M236 L237	R167-D233 PolarHBondContact O-N 3.37Å; R167-D233 VanDerWaalsContact O-N 3.15Å; N168-D233 VanDerWaalsContact CA-CG 3.42Å; N168-D233 VanDerWaalsContact CA-OD1 3.3Å; N168-D233 WeakPolarHBondContact CA-OD1 3.11Å; N168-D233 WeakPolarHBondContact CA-OD2 3.32Å; N168-D233 HydrophobicContact CB-CB 4.36Å; N168-D233 WeakPolarHBondContact CB-OD2 3.42Å; P231-D233 VanDerWaalsContact CB-OD1 3.25Å; P231-D233 WeakPolarHBondContact CB-OD1 3.38Å; P231-D233 PolarHBondContact O-N 3.11Å; D233-M236 PolarHBondContact O-N 2.92Å; D233-L237 WeakPolarHBondContact O-CB 3.32Å; D233-L237 PolarHBondContact O-N 3.5Å
234	I	98.4	Very high	96.8	Very high	14 Å²	14	59.3 Å²	59.3	7%	0.072	31%	0.305	C	S	.	.	H	α-helix	trans	-70.7	-41.4	177.8	-60.4	174.7	0	0	0	110.1	L169 P231 M236 L237 H238 V257 D260 I261	L169-I234 HydrophobicContact CB-CD1 4.23Å; L169-I234 HydrophobicContact CD1-CD1 4.21Å; P231-I234 HydrophobicContact CB-CB 4.49Å; P231-I234 HydrophobicContact CB-CD1 4.11Å; P231-I234 HydrophobicContact CB-CG1 4.3Å; P231-I234 HydrophobicContact CG-CD1 4.38Å; P231-I234 PolarHBondContact O-N 3.3Å; I234-M236 VanDerWaalsContact C-N 3.3Å; I234-M236 PolarHBondContact O-N 3.03Å; I234-L237 WeakPolarHBondContact O-CB 3.36Å; I234-L237 PolarHBondContact O-N 3.21Å; I234-H238 PolarHBondContact O-CD2 3.32Å; I234-H238 PolarHBondContact O-N 2.73Å; I234-V257 HydrophobicContact CG2-CB 4.32Å; I234-V257 HydrophobicContact CG2-CG1 3.99Å; I234-V257 HydrophobicContact CG2-CG2 4.37Å; I234-D260 HydrophobicContact CG2-CB 3.87Å; I234-I261 HydrophobicContact CD1-CG1 3.66Å; I234-I261 HydrophobicContact CG2-CG1 4.31Å
235	C	98.1	Very high	96.9	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.014	27%	0.274	C	S	.	.	H	α-helix	trans	-56.4	-45.8	172.8	-67.7	0	0	0	0	111.5	P231 M232 H238 G239 A240	P231-C235 PolarHBondContact O-N 2.63Å; P231-C235 PolarHBondContact O-SG 3.25Å; P231-C235 VanDerWaalsContact O-SG 3.34Å; M232-C235 HydrophobicContact CE-CB 4.43Å; M232-C235 PolarHBondContact O-N 3.1Å; C235-H238 PolarHBondContact O-N 3.3Å; C235-G239 PolarHBondContact O-N 3.5Å; C235-G239 VanDerWaalsContact O-N 3.14Å; C235-A240 PolarHBondContact O-N 3.13Å
236	M	97.9	Very high	97.1	Very high	146 Å²	146	50.4 Å²	50.4	72%	0.719	26%	0.259	S	S	*	.	H	α-helix	trans	-65	-41.5	177.2	-74.9	174.7	55.7	0	0	112.6	M232 D233 I234 H238 G239	M232-M236 WeakPolarHBondContact O-CB 3.37Å; M232-M236 VanDerWaalsContact O-CG 3.24Å; M232-M236 WeakPolarHBondContact O-CG 3.26Å; M232-M236 PolarHBondContact O-N 3.08Å; D233-M236 PolarHBondContact O-N 2.92Å; I234-M236 VanDerWaalsContact C-N 3.3Å; I234-M236 PolarHBondContact O-N 3.03Å; M236-H238 PolarHBondContact O-N 3.08Å; M236-G239 PolarHBondContact O-N 3.01Å; M236-G239 VanDerWaalsContact O-N 3.1Å
237	L	98.3	Very high	97.2	Very high	124 Å²	124	51.3 Å²	51.3	65%	0.649	26%	0.262	S	S	*	.	H	α-helix	trans	-54.5	-41.4	178.5	176.8	63.6	0	0	0	112	D233 I234	D233-L237 WeakPolarHBondContact O-CB 3.32Å; D233-L237 PolarHBondContact O-N 3.5Å; I234-L237 WeakPolarHBondContact O-CB 3.36Å; I234-L237 PolarHBondContact O-N 3.21Å
238	H	98.4	Very high	97.3	Very high	50 Å²	50	48.9 Å²	48.9	23%	0.231	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	3	-179.1	-66	-64.4	0	0	0	114	I234 C235 M236 A240 N253 D256 V257 D260	I234-H238 PolarHBondContact O-CD2 3.32Å; I234-H238 PolarHBondContact O-N 2.73Å; C235-H238 PolarHBondContact O-N 3.3Å; M236-H238 PolarHBondContact O-N 3.08Å; H238-A240 PolarHBondContact O-N 3.01Å; H238-N253 WeakPolarHBondContact O-CB 3.27Å; H238-D256 HydrophobicContact CB-CB 4.34Å; H238-D256 WeakPolarHBondContact ND1-CB 3.42Å; H238-V257 HydrophobicContact CB-CG2 3.79Å; H238-D260 IonicContact CD2-OD2 2.83Å; H238-D260 IonicContact CE1-OD2 3.24Å; H238-D260 IonicContact NE2-OD2 3.72Å; H238-D260 PolarHBondContact NE2-OD2 2.78Å
239	G	98.1	Very high	97.4	Very high	56 Å²	56	49.1 Å²	49.1	58%	0.577	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	29.3	-176.9	0	0	0	0	0	113.6	C235 M236 N253	C235-G239 PolarHBondContact O-N 3.5Å; C235-G239 VanDerWaalsContact O-N 3.14Å; M236-G239 PolarHBondContact O-N 3.01Å; M236-G239 VanDerWaalsContact O-N 3.1Å; G239-N253 PolarHBondContact O-ND2 3.08Å
240	A	98	Very high	97.4	Very high	7 Å²	7	54 Å²	54	6%	0.058	28%	0.28	C	S	.	.			trans	-90.6	118.9	174.4	0	0	0	0	0	109.8	C235 H238 F245 N253 V257	C235-A240 PolarHBondContact O-N 3.13Å; H238-A240 PolarHBondContact O-N 3.01Å; A240-F245 HydrophobicContact CB-CE2 3.89Å; A240-F245 HydrophobicContact CB-CZ 4.21Å; A240-N253 HydrophobicContact CB-CB 4.27Å; A240-V257 HydrophobicContact CB-CG2 3.76Å
241	S	97.1	Very high	97.5	Very high	55 Å²	55	59.6 Å²	59.6	39%	0.385	31%	0.305	S	S	.	.			trans	-79.4	159.9	175.4	74.6	0	0	0	0	111.2	E243 D244 F245	S241-E243 PolarHBondContact O-N 3.48Å; S241-E243 PolarHBondContact OG-N 3.47Å; S241-D244 WeakPolarHBondContact CA-OD2 3.33Å; S241-D244 WeakPolarHBondContact CB-OD2 3.47Å; S241-D244 PolarHBondContact N-OD2 3.44Å; S241-D244 WeakPolarHBondContact O-CB 3.32Å; S241-D244 PolarHBondContact O-N 3.09Å; S241-D244 PolarHBondContact OG-N 3.45Å; S241-D244 PolarHBondContact OG-OD2 2.9Å; S241-F245 VanDerWaalsContact O-CD2 3.27Å; S241-F245 WeakPolarHBondContact O-CD2 3.44Å
242	Q	95.9	Very high	97.5	Very high	87 Å²	87	66 Å²	66	41%	0.407	33%	0.333	S	S	.	.	H	α-helix	trans	-60.8	-32.8	171.9	-67.5	-177	1.4	0	0	112	V228 M232 D244 F245 I246	V228-Q242 HydrophobicContact CB-CB 4.42Å; V228-Q242 HydrophobicContact CB-CG 4.26Å; V228-Q242 HydrophobicContact CG1-CG 4.46Å; V228-Q242 HydrophobicContact CG2-CB 4.08Å; V228-Q242 HydrophobicContact CG2-CG 4.47Å; M232-Q242 HydrophobicContact CE-CG 4.06Å; M232-Q242 HydrophobicContact SD-CG 4.17Å; M232-Q242 PolarHBondContact SD-NE2 3.28Å; Q242-D244 VanDerWaalsContact C-N 3.28Å; Q242-D244 PolarHBondContact O-N 3.46Å; Q242-F245 PolarHBondContact O-N 2.79Å; Q242-I246 WeakPolarHBondContact O-CG1 3.36Å; Q242-I246 PolarHBondContact O-N 3.36Å
243	E	97.1	Very high	97.5	Very high	58 Å²	58	65.2 Å²	65.2	27%	0.271	33%	0.33	S	S	.	.	H	α-helix	trans	-65.5	-32	179.1	-175.8	65.7	-176.9	0	0	111.9	R226 S241 F245 I246 R247	R226-E243 IonicContact NH2-OE2 3.78Å; S241-E243 PolarHBondContact O-N 3.48Å; S241-E243 PolarHBondContact OG-N 3.47Å; E243-F245 VanDerWaalsContact C-N 3.29Å; E243-F245 PolarHBondContact O-N 2.64Å; E243-I246 PolarHBondContact O-N 3.31Å; E243-R247 HydrophobicContact CG-CG 4.3Å; E243-R247 WeakPolarHBondContact O-CB 3.28Å; E243-R247 WeakPolarHBondContact O-CG 3.32Å; E243-R247 PolarHBondContact O-N 3.38Å; E243-R247 IonicContact OE1-CZ 3.82Å; E243-R247 VanDerWaalsContact OE1-CZ 3.24Å; E243-R247 IonicContact OE1-NE 3.75Å; E243-R247 PolarHBondContact OE1-NE 3.32Å; E243-R247 IonicContact OE1-NH2 2.83Å; E243-R247 PolarHBondContact OE1-NH2 3.37Å
244	D	97.7	Very high	97.5	Very high	33 Å²	33	62.4 Å²	62.4	18%	0.176	32%	0.315	C	S	.	.	H	α-helix	trans	-60.2	-41.9	175	-61.1	-42.4	0	0	0	111	S241 Q242 G248 S249 V254	S241-D244 WeakPolarHBondContact CA-OD2 3.33Å; S241-D244 WeakPolarHBondContact CB-OD2 3.47Å; S241-D244 PolarHBondContact N-OD2 3.44Å; S241-D244 WeakPolarHBondContact O-CB 3.32Å; S241-D244 PolarHBondContact O-N 3.09Å; S241-D244 PolarHBondContact OG-N 3.45Å; S241-D244 PolarHBondContact OG-OD2 2.9Å; Q242-D244 VanDerWaalsContact C-N 3.28Å; Q242-D244 PolarHBondContact O-N 3.46Å; D244-G248 PolarHBondContact O-N 2.87Å; D244-S249 WeakPolarHBondContact O-CB 3.23Å; D244-S249 PolarHBondContact O-N 3.06Å; D244-V254 HydrophobicContact CB-CG2 3.8Å
245	F	97.3	Very high	97.5	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-70.3	-39.9	174.6	-64.8	-81.2	0	0	0	112.3	T219 S223 V228 L230 A240 S241 Q242 E243 R247 G248 V254 V257 F308	T219-F245 HydrophobicContact CG2-CD1 4.1Å; S223-F245 WeakPolarHBondContact CB-O 3.29Å; S223-F245 PolarHBondContact OG-O 3.38Å; V228-F245 HydrophobicContact CG1-CB 4.4Å; V228-F245 HydrophobicContact CG1-CD2 4.24Å; V228-F245 HydrophobicContact CG1-CG 4.37Å; V228-F245 HydrophobicContact CG2-CB 3.89Å; L230-F245 HydrophobicContact CD1-CD1 3.57Å; L230-F245 HydrophobicContact CD1-CD2 4.43Å; L230-F245 HydrophobicContact CD1-CE1 3.2Å; L230-F245 HydrophobicContact CD1-CE2 4.16Å; L230-F245 HydrophobicContact CD1-CG 4.18Å; L230-F245 HydrophobicContact CD1-CZ 3.55Å; A240-F245 HydrophobicContact CB-CE2 3.89Å; A240-F245 HydrophobicContact CB-CZ 4.21Å; S241-F245 VanDerWaalsContact O-CD2 3.27Å; S241-F245 WeakPolarHBondContact O-CD2 3.44Å; Q242-F245 PolarHBondContact O-N 2.79Å; E243-F245 VanDerWaalsContact C-N 3.29Å; E243-F245 PolarHBondContact O-N 2.64Å; F245-R247 VanDerWaalsContact C-N 3.29Å; F245-R247 PolarHBondContact O-N 2.71Å; F245-G248 PolarHBondContact O-N 3.15Å; F245-G248 VanDerWaalsContact O-N 3.11Å; F245-V254 HydrophobicContact CD1-CG1 4.09Å; F245-V254 HydrophobicContact CE1-CB 4.44Å; F245-V254 HydrophobicContact CE1-CG1 3.67Å; F245-V254 HydrophobicContact CE1-CG2 4.42Å; F245-V254 HydrophobicContact CZ-CG1 4.29Å; F245-V254 HydrophobicContact CZ-CG2 4.4Å; F245-V257 HydrophobicContact CZ-CB 4.06Å; F245-V257 HydrophobicContact CZ-CG1 3.84Å; F245-V257 HydrophobicContact CZ-CG2 4.26Å; F245-F308 HydrophobicContact CD1-CZ 4.49Å; F245-F308 VanDerWaalsContact O-CZ 3.27Å; F245-F308 WeakPolarHBondContact O-CZ 3.05Å
246	I	97.4	Very high	97.6	Very high	35 Å²	35	67.2 Å²	67.2	18%	0.179	34%	0.335	C	S	.	.	H	α-helix	trans	-63.3	-37.7	179.6	-67.9	170	0	0	0	110.9	R226 V228 Q242 E243 G248	R226-I246 HydrophobicContact CB-CD1 4.39Å; R226-I246 HydrophobicContact CB-CG2 4.41Å; R226-I246 HydrophobicContact CG-CG2 4.19Å; V228-I246 HydrophobicContact CG2-CD1 4.47Å; V228-I246 HydrophobicContact CG2-CG1 3.96Å; Q242-I246 WeakPolarHBondContact O-CG1 3.36Å; Q242-I246 PolarHBondContact O-N 3.36Å; E243-I246 PolarHBondContact O-N 3.31Å; I246-G248 VanDerWaalsContact C-N 3.26Å; I246-G248 PolarHBondContact O-N 2.83Å
247	R	96.8	Very high	97.6	Very high	189 Å²	189	60.3 Å²	60.3	71%	0.713	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-7.1	176.2	-68.1	-179.4	-175.8	173.1	6.5	114	E243 F245	E243-R247 HydrophobicContact CG-CG 4.3Å; E243-R247 WeakPolarHBondContact O-CB 3.28Å; E243-R247 WeakPolarHBondContact O-CG 3.32Å; E243-R247 PolarHBondContact O-N 3.38Å; E243-R247 IonicContact OE1-CZ 3.82Å; E243-R247 VanDerWaalsContact OE1-CZ 3.24Å; E243-R247 IonicContact OE1-NE 3.75Å; E243-R247 PolarHBondContact OE1-NE 3.32Å; E243-R247 IonicContact OE1-NH2 2.83Å; E243-R247 PolarHBondContact OE1-NH2 3.37Å; F245-R247 VanDerWaalsContact C-N 3.29Å; F245-R247 PolarHBondContact O-N 2.71Å
248	G	96.3	Very high	97.6	Very high	24 Å²	24	54.4 Å²	54.4	25%	0.247	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	35.9	-175.4	0	0	0	0	0	112.9	D244 F245 I246	D244-G248 PolarHBondContact O-N 2.87Å; F245-G248 PolarHBondContact O-N 3.15Å; F245-G248 VanDerWaalsContact O-N 3.11Å; I246-G248 VanDerWaalsContact C-N 3.26Å; I246-G248 PolarHBondContact O-N 2.83Å
249	S	96.7	Very high	97.6	Very high	19 Å²	19	56.4 Å²	56.4	13%	0.133	28%	0.278	C	S	.	.			trans	-57.8	142.5	177.6	179.9	0	0	0	0	111	D244 E251	D244-S249 WeakPolarHBondContact O-CB 3.23Å; D244-S249 PolarHBondContact O-N 3.06Å; S249-E251 WeakPolarHBondContact OG-CB 3.48Å; S249-E251 WeakPolarHBondContact OG-CG 3.44Å; S249-E251 PolarHBondContact OG-N 3.38Å
250	R	96.4	Very high	97.7	Very high	130 Å²	130	55.9 Å²	55.9	49%	0.491	26%	0.262	S	S	.	.			trans	-114.4	16.9	179.1	-58.5	177	-178.6	-115.6	-17.6	111.7	D306 F308	R250-D306 IonicContact CZ-OD2 3.76Å; R250-D306 VanDerWaalsContact CZ-OD2 3.32Å; R250-D306 IonicContact NE-OD2 3.01Å; R250-D306 IonicContact NH1-OD2 3.57Å; R250-D306 PolarHBondContact NH1-OD2 2.87Å; R250-D306 IonicContact NH2-OD2 3.53Å; R250-F308 PolarHBondContact NH2-O 3.38Å; R250-F308 VanDerWaalsContact NH2-O 3.1Å
251	E	97.8	Very high	97.7	Very high	117 Å²	117	55.5 Å²	55.5	55%	0.547	26%	0.26	S	S	.	.	S	Bend	trans	-67.7	164.9	-178.4	-72.5	178.8	-170.3	0	0	112.1	S249 N253 V254 R255	S249-E251 WeakPolarHBondContact OG-CB 3.48Å; S249-E251 WeakPolarHBondContact OG-CG 3.44Å; S249-E251 PolarHBondContact OG-N 3.38Å; E251-N253 VanDerWaalsContact C-N 3.34Å; E251-N253 WeakPolarHBondContact CB-OD1 3.31Å; E251-N253 PolarHBondContact O-N 3.13Å; E251-V254 PolarHBondContact O-N 2.81Å; E251-R255 WeakPolarHBondContact O-CG 3.41Å; E251-R255 PolarHBondContact O-N 3.28Å
252	K	98.1	Very high	97.8	Very high	134 Å²	134	53.2 Å²	53.2	58%	0.583	24%	0.244	S	C	*	.	H	α-helix	trans	-58.7	-44.1	-175.9	-171.9	-175	176.3	-66.6	0	112	V254 R255 D256	K252-V254 PolarHBondContact O-N 3.39Å; K252-R255 PolarHBondContact O-N 3.02Å; K252-R255 VanDerWaalsContact O-N 3.15Å; K252-D256 IonicContact NZ-OD1 3.82Å; K252-D256 PolarHBondContact NZ-OD1 3.31Å; K252-D256 IonicContact NZ-OD2 3.57Å; K252-D256 PolarHBondContact NZ-OD2 3.11Å; K252-D256 WeakPolarHBondContact O-CB 3.15Å; K252-D256 PolarHBondContact O-N 3.45Å
253	N	98.1	Very high	97.9	Very high	29 Å²	29	50.8 Å²	50.8	16%	0.155	24%	0.236	C	C	.	.	H	α-helix	trans	-55.7	-44.9	178	58.5	-14.1	0	0	0	112.9	H238 G239 A240 E251 D256 V257	H238-N253 WeakPolarHBondContact O-CB 3.27Å; G239-N253 PolarHBondContact O-ND2 3.08Å; A240-N253 HydrophobicContact CB-CB 4.27Å; E251-N253 VanDerWaalsContact C-N 3.34Å; E251-N253 WeakPolarHBondContact CB-OD1 3.31Å; E251-N253 PolarHBondContact O-N 3.13Å; N253-D256 PolarHBondContact O-N 2.86Å; N253-V257 WeakPolarHBondContact O-CG2 3.25Å; N253-V257 PolarHBondContact O-N 3.3Å
254	V	98.3	Very high	98	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.012	24%	0.24	C	C	.	.	H	α-helix	trans	-64.3	-42.7	177.3	170.3	0	0	0	0	111.2	D244 F245 E251 K252 V257 V258 F308	D244-V254 HydrophobicContact CB-CG2 3.8Å; F245-V254 HydrophobicContact CD1-CG1 4.09Å; F245-V254 HydrophobicContact CE1-CB 4.44Å; F245-V254 HydrophobicContact CE1-CG1 3.67Å; F245-V254 HydrophobicContact CE1-CG2 4.42Å; F245-V254 HydrophobicContact CZ-CG1 4.29Å; F245-V254 HydrophobicContact CZ-CG2 4.4Å; E251-V254 PolarHBondContact O-N 2.81Å; K252-V254 PolarHBondContact O-N 3.39Å; V254-V257 PolarHBondContact O-N 3.47Å; V254-V258 WeakPolarHBondContact O-CG2 3.28Å; V254-V258 PolarHBondContact O-N 2.81Å; V254-V258 VanDerWaalsContact O-N 3.11Å; V254-F308 HydrophobicContact CG1-CE2 4.32Å
255	R	98.6	Very high	98	Very high	75 Å²	75	50 Å²	50	28%	0.283	23%	0.231	S	C	.	.	H	α-helix	trans	-67.3	-37	178.4	-63.9	-175.8	-57.3	161	9.1	111.7	E251 K252 V258 F259 D304 F305	E251-R255 WeakPolarHBondContact O-CG 3.41Å; E251-R255 PolarHBondContact O-N 3.28Å; K252-R255 PolarHBondContact O-N 3.02Å; K252-R255 VanDerWaalsContact O-N 3.15Å; R255-V258 PolarHBondContact O-N 3.36Å; R255-F259 WeakPolarHBondContact O-CB 3.22Å; R255-F259 PolarHBondContact O-N 2.87Å; R255-D304 WeakPolarHBondContact CD-O 3.09Å; R255-D304 IonicContact CZ-OD2 3.99Å; R255-D304 IonicContact NH1-OD2 2.63Å; R255-D304 PolarHBondContact NH1-OD2 2.63Å; R255-D304 IonicContact NH2-OD2 2.73Å; R255-F305 HydrophobicContact CB-CB 4.35Å; R255-F305 WeakPolarHBondContact O-CB 3.17Å
256	D	98.6	Very high	98.1	Very high	42 Å²	42	53.9 Å²	53.9	23%	0.225	25%	0.25	C	C	.	.	H	α-helix	trans	-65.5	-39	175.8	-64.9	-22.4	0	0	0	111.4	H238 K252 N253 F259 D260	H238-D256 HydrophobicContact CB-CB 4.34Å; H238-D256 WeakPolarHBondContact ND1-CB 3.42Å; K252-D256 IonicContact NZ-OD1 3.82Å; K252-D256 PolarHBondContact NZ-OD1 3.31Å; K252-D256 IonicContact NZ-OD2 3.57Å; K252-D256 PolarHBondContact NZ-OD2 3.11Å; K252-D256 WeakPolarHBondContact O-CB 3.15Å; K252-D256 PolarHBondContact O-N 3.45Å; N253-D256 PolarHBondContact O-N 2.86Å; D256-F259 WeakPolarHBondContact O-CB 3.41Å; D256-F259 PolarHBondContact O-N 3.29Å; D256-D260 PolarHBondContact O-N 3.49Å
257	V	98.7	Very high	98.1	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.2	-47.8	171.5	172.1	0	0	0	0	111.3	L230 I234 H238 A240 F245 N253 V254 F259 D260 I261	L230-V257 HydrophobicContact CD1-CG1 4.41Å; I234-V257 HydrophobicContact CG2-CB 4.32Å; I234-V257 HydrophobicContact CG2-CG1 3.99Å; I234-V257 HydrophobicContact CG2-CG2 4.37Å; H238-V257 HydrophobicContact CB-CG2 3.79Å; A240-V257 HydrophobicContact CB-CG2 3.76Å; F245-V257 HydrophobicContact CZ-CB 4.06Å; F245-V257 HydrophobicContact CZ-CG1 3.84Å; F245-V257 HydrophobicContact CZ-CG2 4.26Å; N253-V257 WeakPolarHBondContact O-CG2 3.25Å; N253-V257 PolarHBondContact O-N 3.3Å; V254-V257 PolarHBondContact O-N 3.47Å; V257-F259 VanDerWaalsContact C-N 3.29Å; V257-F259 PolarHBondContact O-N 3.19Å; V257-D260 PolarHBondContact O-N 3.43Å; V257-I261 HydrophobicContact CG1-CD1 3.65Å; V257-I261 WeakPolarHBondContact O-CD1 3.41Å; V257-I261 VanDerWaalsContact O-CG1 3.3Å; V257-I261 WeakPolarHBondContact O-CG1 3.05Å; V257-I261 PolarHBondContact O-N 3.27Å; V257-I261 VanDerWaalsContact O-N 3.13Å
258	V	98.6	Very high	98.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.2	-37.9	179.4	175.1	0	0	0	0	110.7	L216 V254 R255 A262 V300 F305 V307	L216-V258 HydrophobicContact CD2-CG1 4.18Å; L216-V258 HydrophobicContact CD2-CG2 4.46Å; V254-V258 WeakPolarHBondContact O-CG2 3.28Å; V254-V258 PolarHBondContact O-N 2.81Å; V254-V258 VanDerWaalsContact O-N 3.11Å; R255-V258 PolarHBondContact O-N 3.36Å; V258-A262 WeakPolarHBondContact O-CB 3.24Å; V258-A262 PolarHBondContact O-N 3.49Å; V258-V300 HydrophobicContact CG1-CG1 3.87Å; V258-F305 HydrophobicContact CB-CB 4.22Å; V258-F305 WeakPolarHBondContact CB-O 3.44Å; V258-F305 HydrophobicContact CG1-CB 4.04Å; V258-F305 HydrophobicContact CG1-CD1 4.48Å; V258-F305 WeakPolarHBondContact CG1-O 3.27Å; V258-V307 HydrophobicContact CG1-CB 4.29Å; V258-V307 HydrophobicContact CG2-CB 3.82Å; V258-V307 HydrophobicContact CG2-CG1 3.93Å
259	F	98.8	Very high	98.3	Very high	92 Å²	92	45.6 Å²	45.6	40%	0.404	22%	0.216	S	C	.	.	H	α-helix	trans	-58.4	-51.9	174.9	171.8	-93.5	0	0	0	111.8	R255 D256 V257 I261 A262 S263 F305	R255-F259 WeakPolarHBondContact O-CB 3.22Å; R255-F259 PolarHBondContact O-N 2.87Å; D256-F259 WeakPolarHBondContact O-CB 3.41Å; D256-F259 PolarHBondContact O-N 3.29Å; V257-F259 VanDerWaalsContact C-N 3.29Å; V257-F259 PolarHBondContact O-N 3.19Å; F259-I261 PolarHBondContact O-N 3.32Å; F259-A262 PolarHBondContact O-N 3.31Å; F259-S263 VanDerWaalsContact O-CB 3.29Å; F259-S263 WeakPolarHBondContact O-CB 3.46Å; F259-S263 PolarHBondContact O-N 2.95Å; F259-S263 PolarHBondContact O-OG 3Å; F259-F305 HydrophobicContact CB-CB 4.39Å; F259-F305 HydrophobicContact CB-CD1 3.96Å; F259-F305 HydrophobicContact CB-CD2 4.27Å; F259-F305 HydrophobicContact CB-CE1 4.34Å; F259-F305 HydrophobicContact CB-CG 3.93Å; F259-F305 HydrophobicContact CD2-CD1 4.13Å; F259-F305 AromaticContact CD2-CD2 3.94Å; F259-F305 HydrophobicContact CD2-CD2 3.94Å; F259-F305 AromaticContact CD2-CE1 3.71Å; F259-F305 HydrophobicContact CD2-CE1 3.71Å; F259-F305 AromaticContact CD2-CE2 3.52Å; F259-F305 HydrophobicContact CD2-CE2 3.52Å; F259-F305 HydrophobicContact CD2-CG 4.25Å; F259-F305 AromaticContact CD2-CZ 3.39Å; F259-F305 HydrophobicContact CD2-CZ 3.39Å; F259-F305 HydrophobicContact CE2-CE2 4.17Å; F259-F305 AromaticContact CE2-CZ 3.93Å; F259-F305 HydrophobicContact CE2-CZ 3.93Å; F259-F305 HydrophobicContact CG-CE1 4.46Å; F259-F305 HydrophobicContact CG-CZ 4.48Å
260	D	98.6	Very high	98.3	Very high	45 Å²	45	48.6 Å²	48.6	24%	0.241	23%	0.228	C	C	.	.	H	α-helix	trans	-63	-45.6	-178.6	-82.3	-1.7	0	0	0	111.5	I234 H238 D256 V257 S263 Q264	I234-D260 HydrophobicContact CG2-CB 3.87Å; H238-D260 IonicContact CD2-OD2 2.83Å; H238-D260 IonicContact CE1-OD2 3.24Å; H238-D260 IonicContact NE2-OD2 3.72Å; H238-D260 PolarHBondContact NE2-OD2 2.78Å; D256-D260 PolarHBondContact O-N 3.49Å; V257-D260 PolarHBondContact O-N 3.43Å; D260-S263 WeakPolarHBondContact O-CB 3.39Å; D260-S263 PolarHBondContact O-N 2.93Å; D260-Q264 VanDerWaalsContact O-CG 3.28Å; D260-Q264 WeakPolarHBondContact O-CG 3.29Å; D260-Q264 PolarHBondContact O-N 2.76Å; D260-Q264 VanDerWaalsContact O-N 3.15Å
261	I	98.7	Very high	98.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.5	-43.4	179.4	-62.9	166.7	0	0	0	111	I212 L216 L230 P231 I234 V257 F259 S263 Q264 A265	I212-I261 HydrophobicContact CG2-CG2 3.45Å; I212-I261 VanDerWaalsContact CG2-CG2 3.45Å; I212-I261 WeakPolarHBondContact CG2-O 3.39Å; L216-I261 HydrophobicContact CD1-CB 4.41Å; L216-I261 HydrophobicContact CD1-CG2 3.93Å; L216-I261 HydrophobicContact CD2-CB 4Å; L216-I261 HydrophobicContact CD2-CD1 4.31Å; L216-I261 HydrophobicContact CD2-CG2 3.7Å; L216-I261 HydrophobicContact CG-CB 4.46Å; L216-I261 HydrophobicContact CG-CG2 3.75Å; L230-I261 HydrophobicContact CB-CD1 4.26Å; L230-I261 HydrophobicContact CD2-CD1 3.82Å; L230-I261 HydrophobicContact CG-CD1 4.49Å; P231-I261 HydrophobicContact CG-CD1 4.35Å; P231-I261 HydrophobicContact CG-CG1 4.47Å; I234-I261 HydrophobicContact CD1-CG1 3.66Å; I234-I261 HydrophobicContact CG2-CG1 4.31Å; V257-I261 HydrophobicContact CG1-CD1 3.65Å; V257-I261 WeakPolarHBondContact O-CD1 3.41Å; V257-I261 VanDerWaalsContact O-CG1 3.3Å; V257-I261 WeakPolarHBondContact O-CG1 3.05Å; V257-I261 PolarHBondContact O-N 3.27Å; V257-I261 VanDerWaalsContact O-N 3.13Å; F259-I261 PolarHBondContact O-N 3.32Å; I261-S263 VanDerWaalsContact C-N 3.3Å; I261-S263 PolarHBondContact O-N 3.29Å; I261-Q264 PolarHBondContact O-N 3.33Å; I261-A265 PolarHBondContact O-N 3.45Å
262	A	98.7	Very high	98.4	Very high	6 Å²	6	41.2 Å²	41.2	5%	0.05	20%	0.199	C	C	.	.	H	α-helix	trans	-65.6	-35.9	178.1	0	0	0	0	0	111.8	L216 V258 F259 Q264 A265 H266 L297 V300 F305	L216-A262 HydrophobicContact CD1-CB 3.81Å; V258-A262 WeakPolarHBondContact O-CB 3.24Å; V258-A262 PolarHBondContact O-N 3.49Å; F259-A262 PolarHBondContact O-N 3.31Å; A262-Q264 VanDerWaalsContact C-N 3.28Å; A262-Q264 PolarHBondContact O-N 3.29Å; A262-A265 PolarHBondContact O-N 3.23Å; A262-H266 PolarHBondContact O-N 3.3Å; A262-L297 HydrophobicContact CB-CD2 4.26Å; A262-V300 HydrophobicContact CB-CG1 4.39Å; A262-F305 HydrophobicContact CB-CD1 4.33Å; A262-F305 HydrophobicContact CB-CE1 4.25Å
263	S	98.6	Very high	98.3	Very high	36 Å²	36	36.8 Å²	36.8	25%	0.252	18%	0.178	S	C	.	.	H	α-helix	trans	-61.9	-38.3	175.5	-63.3	0	0	0	0	111.3	F259 D260 I261 H266 V267	F259-S263 VanDerWaalsContact O-CB 3.29Å; F259-S263 WeakPolarHBondContact O-CB 3.46Å; F259-S263 PolarHBondContact O-N 2.95Å; F259-S263 PolarHBondContact O-OG 3Å; D260-S263 WeakPolarHBondContact O-CB 3.39Å; D260-S263 PolarHBondContact O-N 2.93Å; I261-S263 VanDerWaalsContact C-N 3.3Å; I261-S263 PolarHBondContact O-N 3.29Å; S263-H266 WeakPolarHBondContact O-CB 3.29Å; S263-H266 PolarHBondContact O-N 3.05Å; S263-V267 WeakPolarHBondContact O-CG2 3.45Å; S263-V267 PolarHBondContact O-N 3Å
264	Q	98.6	Very high	98.2	Very high	74 Å²	74	39.3 Å²	39.3	35%	0.346	20%	0.198	S	C	.	.	H	α-helix	trans	-69	-39	177.8	-64.4	-69.3	-22.6	0	0	112.4	L169 I212 D260 I261 A262 H266 V267 H268	L169-Q264 HydrophobicContact CD1-CB 4.29Å; L169-Q264 HydrophobicContact CD1-CG 4.48Å; L169-Q264 HydrophobicContact CD2-CB 3.74Å; L169-Q264 HydrophobicContact CD2-CG 3.37Å; I212-Q264 HydrophobicContact CD1-CB 4.49Å; D260-Q264 VanDerWaalsContact O-CG 3.28Å; D260-Q264 WeakPolarHBondContact O-CG 3.29Å; D260-Q264 PolarHBondContact O-N 2.76Å; D260-Q264 VanDerWaalsContact O-N 3.15Å; I261-Q264 PolarHBondContact O-N 3.33Å; A262-Q264 VanDerWaalsContact C-N 3.28Å; A262-Q264 PolarHBondContact O-N 3.29Å; Q264-H266 VanDerWaalsContact C-N 3.29Å; Q264-H266 PolarHBondContact O-N 3.4Å; Q264-V267 PolarHBondContact O-N 3.42Å; Q264-H268 PolarHBondContact O-N 3.46Å; Q264-H268 VanDerWaalsContact O-N 3.1Å
265	A	98.6	Very high	98	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60	-40.5	169.7	0	0	0	0	0	111.9	A209 I212 I261 A262 H268 L269 L297	A209-A265 HydrophobicContact CB-CB 4.49Å; A209-A265 VanDerWaalsContact CB-O 3.29Å; A209-A265 WeakPolarHBondContact CB-O 3.43Å; I212-A265 HydrophobicContact CB-CB 3.98Å; I212-A265 HydrophobicContact CG2-CB 3.76Å; I261-A265 PolarHBondContact O-N 3.45Å; A262-A265 PolarHBondContact O-N 3.23Å; A265-H268 PolarHBondContact O-N 2.97Å; A265-L269 PolarHBondContact O-N 3.29Å; A265-L297 HydrophobicContact CB-CD1 4.27Å; A265-L297 HydrophobicContact CB-CD2 3.94Å
266	H	98.4	Very high	97.7	Very high	83 Å²	83	40.4 Å²	40.4	38%	0.384	21%	0.212	S	C	.	.	H	α-helix	trans	-65.9	-44.3	177.3	-175.4	49.3	0	0	0	112.4	A262 S263 Q264 H268 L269 E270 L297	A262-H266 PolarHBondContact O-N 3.3Å; S263-H266 WeakPolarHBondContact O-CB 3.29Å; S263-H266 PolarHBondContact O-N 3.05Å; Q264-H266 VanDerWaalsContact C-N 3.29Å; Q264-H266 PolarHBondContact O-N 3.4Å; H266-H268 VanDerWaalsContact C-N 3.31Å; H266-H268 PolarHBondContact O-N 3.49Å; H266-L269 WeakPolarHBondContact O-CB 3.28Å; H266-L269 PolarHBondContact O-N 3.11Å; H266-E270 IonicContact CE1-OE1 3.49Å; H266-E270 WeakPolarHBondContact O-CG 3.3Å; H266-E270 PolarHBondContact O-N 3.21Å; H266-L297 HydrophobicContact CB-CD1 4.24Å
267	V	98.5	Very high	97.5	Very high	59 Å²	59	45.7 Å²	45.7	36%	0.358	24%	0.24	S	C	.	.	H	α-helix	trans	-57.1	-44.6	175.9	168.2	0	0	0	0	111.2	S263 Q264 L269 E270 H271	S263-V267 WeakPolarHBondContact O-CG2 3.45Å; S263-V267 PolarHBondContact O-N 3Å; Q264-V267 PolarHBondContact O-N 3.42Å; V267-L269 PolarHBondContact O-N 3.18Å; V267-E270 PolarHBondContact O-N 2.89Å; V267-H271 PolarHBondContact O-CD2 3.08Å; V267-H271 PolarHBondContact O-N 2.67Å
268	H	98.6	Very high	97.3	Very high	14 Å²	14	50 Å²	50	7%	0.065	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-40.5	174.2	-81.1	-25.7	0	0	0	113	E173 H205 K208 A209 Q264 A265 H266 E270 H271 A272	E173-H268 IonicContact OE1-CE1 2.74Å; E173-H268 IonicContact OE1-NE2 3.96Å; E173-H268 PolarHBondContact OE1-NE2 3.3Å; E173-H268 IonicContact OE2-NE2 2.78Å; H205-H268 HydrophobicContact CB-CB 4.49Å; H205-H268 WeakPolarHBondContact CB-O 3.44Å; H205-H268 AromaticContact CE1-ND1 3.71Å; H205-H268 AromaticContact ND1-CE1 3.74Å; H205-H268 AromaticContact ND1-CG 3.83Å; H205-H268 AromaticContact ND1-ND1 3.07Å; H205-H268 PolarHBondContact ND1-ND1 2.83Å; K208-H268 VanDerWaalsContact CB-CD2 3.41Å; K208-H268 WeakPolarHBondContact CB-CD2 3.41Å; A209-H268 HydrophobicContact CB-CB 3.82Å; Q264-H268 PolarHBondContact O-N 3.46Å; Q264-H268 VanDerWaalsContact O-N 3.1Å; A265-H268 PolarHBondContact O-N 2.97Å; H266-H268 VanDerWaalsContact C-N 3.31Å; H266-H268 PolarHBondContact O-N 3.49Å; H268-E270 VanDerWaalsContact C-N 3.34Å; H268-E270 PolarHBondContact O-N 3.01Å; H268-H271 PolarHBondContact O-N 3.36Å; H268-A272 PolarHBondContact O-N 2.76Å
269	L	97.9	Very high	97	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-61.8	-43	175.9	-179.1	58.9	0	0	0	111.8	A265 H266 V267 A272 R273 T290 L293 E294	A265-L269 PolarHBondContact O-N 3.29Å; H266-L269 WeakPolarHBondContact O-CB 3.28Å; H266-L269 PolarHBondContact O-N 3.11Å; V267-L269 PolarHBondContact O-N 3.18Å; L269-A272 WeakPolarHBondContact O-CB 3.47Å; L269-A272 PolarHBondContact O-N 3.07Å; L269-R273 WeakPolarHBondContact O-CG 3.34Å; L269-R273 PolarHBondContact O-N 3.24Å; L269-T290 HydrophobicContact CD1-CG2 3.91Å; L269-L293 HydrophobicContact CB-CD2 4.39Å; L269-L293 HydrophobicContact CD1-CD2 4.07Å; L269-L293 HydrophobicContact CD2-CD2 4.29Å; L269-L293 HydrophobicContact CD2-CG 4.38Å; L269-L293 HydrophobicContact CG-CD2 4.49Å; L269-E294 HydrophobicContact CD2-CB 4.24Å
270	E	97.9	Very high	96.8	Very high	82 Å²	82	48.5 Å²	48.5	38%	0.383	26%	0.262	S	S	.	.	H	α-helix	trans	-66.6	-40.4	177.4	-66.5	-58.3	113.4	0	0	111.9	H266 V267 H268 A272 R273 S274	H266-E270 IonicContact CE1-OE1 3.49Å; H266-E270 WeakPolarHBondContact O-CG 3.3Å; H266-E270 PolarHBondContact O-N 3.21Å; V267-E270 PolarHBondContact O-N 2.89Å; H268-E270 VanDerWaalsContact C-N 3.34Å; H268-E270 PolarHBondContact O-N 3.01Å; E270-A272 VanDerWaalsContact C-N 3.32Å; E270-A272 PolarHBondContact O-N 3.33Å; E270-R273 WeakPolarHBondContact O-CB 3.5Å; E270-R273 PolarHBondContact O-N 3.37Å; E270-R273 VanDerWaalsContact O-N 3.12Å; E270-R273 IonicContact OE1-NH1 3.88Å; E270-R273 PolarHBondContact OE1-NH1 3.33Å; E270-S274 PolarHBondContact O-N 2.9Å
271	H	97.5	Very high	96.5	Very high	92 Å²	92	49.4 Å²	49.4	43%	0.426	28%	0.276	S	S	.	.	H	α-helix	trans	-62.4	-37.4	172.3	-75.8	-161.6	0	0	0	112.3	H205 V267 H268 R273 S274 F275	H205-H271 AromaticContact CE1-ND1 3.95Å; V267-H271 PolarHBondContact O-CD2 3.08Å; V267-H271 PolarHBondContact O-N 2.67Å; H268-H271 PolarHBondContact O-N 3.36Å; H271-R273 VanDerWaalsContact C-N 3.28Å; H271-R273 PolarHBondContact O-N 3.37Å; H271-S274 PolarHBondContact O-N 3.29Å; H271-S274 PolarHBondContact O-OG 3.34Å; H271-F275 WeakPolarHBondContact O-CD2 3.42Å; H271-F275 WeakPolarHBondContact O-CE2 3.46Å
272	A	97.4	Very high	96.2	Very high	0 Å²	0	52 Å²	52	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.8	-36.7	174	0	0	0	0	0	112.2	H205 I206 H268 L269 E270 F275 Y332	H205-A272 HydrophobicContact CB-CB 3.87Å; I206-A272 HydrophobicContact CD1-CB 4.16Å; I206-A272 HydrophobicContact CG1-CB 3.54Å; H268-A272 PolarHBondContact O-N 2.76Å; L269-A272 WeakPolarHBondContact O-CB 3.47Å; L269-A272 PolarHBondContact O-N 3.07Å; E270-A272 VanDerWaalsContact C-N 3.32Å; E270-A272 PolarHBondContact O-N 3.33Å; A272-F275 PolarHBondContact O-N 3.3Å; A272-Y332 HydrophobicContact CB-CE2 4.45Å; A272-Y332 WeakPolarHBondContact O-CE2 3.35Å; A272-Y332 PolarHBondContact O-OH 3.05Å
273	R	95.8	Very high	96	Very high	40 Å²	40	51.8 Å²	51.8	15%	0.151	30%	0.296	C	S	.	.	H	α-helix	trans	-73.3	-28.2	178.8	-73.1	169.4	171.1	178.9	-6.6	112.9	L269 E270 H271 F275 S276 E294 Y332	L269-R273 WeakPolarHBondContact O-CG 3.34Å; L269-R273 PolarHBondContact O-N 3.24Å; E270-R273 WeakPolarHBondContact O-CB 3.5Å; E270-R273 PolarHBondContact O-N 3.37Å; E270-R273 VanDerWaalsContact O-N 3.12Å; E270-R273 IonicContact OE1-NH1 3.88Å; E270-R273 PolarHBondContact OE1-NH1 3.33Å; H271-R273 VanDerWaalsContact C-N 3.28Å; H271-R273 PolarHBondContact O-N 3.37Å; R273-F275 PolarHBondContact O-N 2.81Å; R273-F275 VanDerWaalsContact O-N 3.13Å; R273-S276 WeakPolarHBondContact O-CB 3.48Å; R273-S276 PolarHBondContact O-N 3.24Å; R273-S276 PolarHBondContact O-OG 2.71Å; R273-E294 IonicContact CZ-OE1 3.51Å; R273-E294 IonicContact CZ-OE2 3.18Å; R273-E294 IonicContact NH1-OE1 2.75Å; R273-E294 PolarHBondContact NH1-OE1 3.16Å; R273-E294 IonicContact NH2-OE1 3.9Å; R273-E294 PolarHBondContact NH2-OE1 3.23Å; R273-E294 VanDerWaalsContact NH2-OE1 3.13Å; R273-E294 IonicContact NH2-OE2 2.66Å; R273-E294 PolarHBondContact NH2-OE2 2.85Å; R273-Y332 PolarHBondContact NE-OXT 3.11Å; R273-Y332 PolarHBondContact NH2-OXT 2.98Å
274	S	96.5	Very high	95.7	Very high	82 Å²	82	50.6 Å²	50.6	57%	0.573	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.7	173.6	67.7	0	0	0	0	113.5	E270 H271	E270-S274 PolarHBondContact O-N 2.9Å; H271-S274 PolarHBondContact O-N 3.29Å; H271-S274 PolarHBondContact O-OG 3.34Å
275	F	94.8	Very high	95.5	Very high	45 Å²	45	48.4 Å²	48.4	20%	0.197	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-5.5	173	-60.3	-66.2	0	0	0	114.1	H198 H201 A202 H205 H271 A272 R273 D277 N278 V279	H198-F275 HydrophobicContact CB-CB 4.45Å; H198-F275 AromaticContact ND1-CD1 3.87Å; H201-F275 HydrophobicContact CB-CD2 4.17Å; H201-F275 HydrophobicContact CB-CE1 4.26Å; H201-F275 HydrophobicContact CB-CE2 3.86Å; H201-F275 HydrophobicContact CB-CZ 3.9Å; A202-F275 HydrophobicContact CB-CB 4.42Å; H205-F275 AromaticContact CD2-CE2 3.98Å; H271-F275 WeakPolarHBondContact O-CD2 3.42Å; H271-F275 WeakPolarHBondContact O-CE2 3.46Å; A272-F275 PolarHBondContact O-N 3.3Å; R273-F275 PolarHBondContact O-N 2.81Å; R273-F275 VanDerWaalsContact O-N 3.13Å; F275-D277 VanDerWaalsContact C-N 3.3Å; F275-D277 PolarHBondContact O-N 2.94Å; F275-D277 VanDerWaalsContact O-N 3.16Å; F275-N278 PolarHBondContact O-N 2.94Å; F275-V279 HydrophobicContact CB-CG2 4.2Å; F275-V279 WeakPolarHBondContact O-CG2 3.42Å; F275-V279 PolarHBondContact O-N 3.31Å; F275-V279 VanDerWaalsContact O-N 3.14Å
276	S	92.8	Very high	95.4	Very high	56 Å²	56	48.5 Å²	48.5	39%	0.392	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-53.8	-40.2	-168.3	53.1	0	0	0	0	114.3	R273 N278 V279	R273-S276 WeakPolarHBondContact O-CB 3.48Å; R273-S276 PolarHBondContact O-N 3.24Å; R273-S276 PolarHBondContact O-OG 2.71Å; S276-N278 PolarHBondContact O-N 3.15Å; S276-V279 PolarHBondContact O-N 2.95Å
277	D	93	Very high	95.2	Very high	153 Å²	153	44.6 Å²	44.6	82%	0.818	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-63.9	-26.5	178.5	-65.8	-29.1	0	0	0	113.4	F275	F275-D277 VanDerWaalsContact C-N 3.3Å; F275-D277 PolarHBondContact O-N 2.94Å; F275-D277 VanDerWaalsContact O-N 3.16Å
278	N	94	Very high	95	Very high	89 Å²	89	41.8 Å²	41.8	48%	0.476	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-102.3	-5	-177.7	-62.8	-62.1	0	0	0	113.3	H198 F275 S276	H198-N278 HydrophobicContact CB-CB 3.88Å; H198-N278 VanDerWaalsContact CD2-CB 3.46Å; H198-N278 WeakPolarHBondContact CD2-CB 3.48Å; F275-N278 PolarHBondContact O-N 2.94Å; S276-N278 PolarHBondContact O-N 3.15Å
279	V	94.1	Very high	94.7	Very high	14 Å²	14	41.4 Å²	41.4	9%	0.085	24%	0.244	C	C	.	.	S	Bend	trans	-83.8	125.7	177.7	167.5	0	0	0	0	109.7	H198 A199 A202 F275 S276 A281 A283 F287 Y332	H198-V279 HydrophobicContact CB-CG2 4.28Å; A199-V279 HydrophobicContact CB-CG1 4.49Å; A202-V279 HydrophobicContact CB-CG2 4.12Å; F275-V279 HydrophobicContact CB-CG2 4.2Å; F275-V279 WeakPolarHBondContact O-CG2 3.42Å; F275-V279 PolarHBondContact O-N 3.31Å; F275-V279 VanDerWaalsContact O-N 3.14Å; S276-V279 PolarHBondContact O-N 2.95Å; V279-A281 PolarHBondContact O-N 3.27Å; V279-A283 HydrophobicContact CG1-CB 3.74Å; V279-F287 HydrophobicContact CG1-CD2 4.43Å; V279-F287 HydrophobicContact CG1-CE2 3.86Å; V279-Y332 HydrophobicContact CB-CE1 4.22Å; V279-Y332 HydrophobicContact CG1-CE1 3.98Å; V279-Y332 HydrophobicContact CG2-CE1 4.46Å; V279-Y332 VanDerWaalsContact CG2-OH 3.3Å; V279-Y332 WeakPolarHBondContact CG2-OH 3.06Å
280	P	93.9	Very high	94.7	Very high	47 Å²	47	41.4 Å²	41.4	31%	0.305	24%	0.244	S	C	.	.			trans	-59.7	139.4	176.1	-22.8	33	0	0	0	111.6	N196 A282 A283	N196-P280 HydrophobicContact CB-CG 3.9Å; P280-A282 PolarHBondContact O-N 3.13Å; P280-A283 VanDerWaalsContact O-CB 3.25Å; P280-A283 WeakPolarHBondContact O-CB 3.49Å; P280-A283 PolarHBondContact O-N 3.4Å
281	A	91.6	Very high	94.6	Very high	64 Å²	64	38 Å²	38	53%	0.529	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-24	178.4	0	0	0	0	0	113.7	V279 A283 T284	V279-A281 PolarHBondContact O-N 3.27Å; A281-A283 VanDerWaalsContact C-N 3.25Å; A281-A283 PolarHBondContact O-N 2.99Å; A281-T284 PolarHBondContact O-N 3.47Å; A281-T284 PolarHBondContact O-OG1 2.85Å
282	A	92.8	Very high	94.4	Very high	56 Å²	56	34.1 Å²	34.1	46%	0.463	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-23.7	174.1	0	0	0	0	0	113.4	L191 V194 P280 P285	L191-A282 WeakPolarHBondContact CD1-O 3.27Å; V194-A282 HydrophobicContact CG2-CB 4.15Å; P280-A282 PolarHBondContact O-N 3.13Å; A282-P285 WeakPolarHBondContact O-CD 3.25Å
283	A	94.4	Very high	94.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-28.5	179.3	0	0	0	0	0	112.7	L188 V194 A199 V279 P280 A281 P285 A286 F287	L188-A283 HydrophobicContact CD2-CB 3.64Å; V194-A283 HydrophobicContact CG1-CB 4.09Å; V194-A283 HydrophobicContact CG2-CB 4.29Å; A199-A283 HydrophobicContact CB-CB 4.15Å; V279-A283 HydrophobicContact CG1-CB 3.74Å; P280-A283 VanDerWaalsContact O-CB 3.25Å; P280-A283 WeakPolarHBondContact O-CB 3.49Å; P280-A283 PolarHBondContact O-N 3.4Å; A281-A283 VanDerWaalsContact C-N 3.25Å; A281-A283 PolarHBondContact O-N 2.99Å; A283-P285 VanDerWaalsContact C-N 3.3Å; A283-P285 VanDerWaalsContact O-N 3.13Å; A283-A286 WeakPolarHBondContact O-CB 3.3Å; A283-A286 PolarHBondContact O-N 3.26Å; A283-F287 HydrophobicContact CB-CE2 4.25Å
284	T	92.8	Very high	94.4	Very high	11 Å²	11	35.3 Å²	35.3	7%	0.067	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-49.1	-40.3	-175.5	-51.1	0	0	0	0	114.6	A281 A286 F287 L288 Y332	A281-T284 PolarHBondContact O-N 3.47Å; A281-T284 PolarHBondContact O-OG1 2.85Å; T284-A286 VanDerWaalsContact C-N 3.26Å; T284-A286 PolarHBondContact O-N 3.4Å; T284-F287 PolarHBondContact O-N 2.89Å; T284-L288 PolarHBondContact O-N 3.18Å; T284-Y332 HydrophobicContact CG2-CD1 4.31Å
285	P	94.5	Very high	94.4	Very high	28 Å²	28	32.7 Å²	32.7	18%	0.182	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-58.6	-32.7	177.2	-24.6	35.7	0	0	0	114.1	L77 L191 A282 A283 F287 L288	L77-P285 HydrophobicContact CD2-CB 3.41Å; L77-P285 VanDerWaalsContact CD2-CB 3.41Å; L77-P285 WeakPolarHBondContact CD2-O 3.39Å; L191-P285 HydrophobicContact CD1-CB 4.08Å; L191-P285 HydrophobicContact CD2-CB 4.33Å; A282-P285 WeakPolarHBondContact O-CD 3.25Å; A283-P285 VanDerWaalsContact C-N 3.3Å; A283-P285 VanDerWaalsContact O-N 3.13Å; P285-F287 PolarHBondContact O-N 3.21Å; P285-L288 WeakPolarHBondContact O-CG 3.47Å; P285-L288 PolarHBondContact O-N 3.37Å
286	A	95.3	Very high	94.5	Very high	3 Å²	3	30.8 Å²	30.8	3%	0.025	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-65.4	-23.7	176	0	0	0	0	0	112.2	L184 L187 L188 L191 A283 T284 P289	L184-A286 WeakPolarHBondContact CD2-O 3.46Å; L187-A286 HydrophobicContact CB-CB 4.2Å; L188-A286 HydrophobicContact CD2-CB 3.83Å; L188-A286 HydrophobicContact CG-CB 4.27Å; L191-A286 HydrophobicContact CD1-CB 3.54Å; A283-A286 WeakPolarHBondContact O-CB 3.3Å; A283-A286 PolarHBondContact O-N 3.26Å; T284-A286 VanDerWaalsContact C-N 3.26Å; T284-A286 PolarHBondContact O-N 3.4Å; A286-P289 VanDerWaalsContact O-CD 3.32Å; A286-P289 WeakPolarHBondContact O-CD 3.41Å
287	F	96	Very high	94.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-97.7	3	-176.1	-55.3	-29.1	0	0	0	113.7	L188 A199 A202 A203 I206 V279 A283 T284 P285 P289 T290 Y332	L188-F287 HydrophobicContact CD1-CE1 4.26Å; L188-F287 HydrophobicContact CD1-CZ 4.11Å; L188-F287 HydrophobicContact CD2-CE1 4.06Å; L188-F287 HydrophobicContact CD2-CZ 3.86Å; L188-F287 HydrophobicContact CG-CE1 4.34Å; L188-F287 HydrophobicContact CG-CZ 4.41Å; A199-F287 HydrophobicContact CB-CZ 4.45Å; A199-F287 WeakPolarHBondContact O-CZ 3.36Å; A202-F287 HydrophobicContact CB-CE2 3.97Å; A202-F287 HydrophobicContact CB-CZ 4.06Å; A203-F287 HydrophobicContact CB-CE1 3.8Å; A203-F287 HydrophobicContact CB-CZ 4.15Å; I206-F287 HydrophobicContact CD1-CB 3.82Å; I206-F287 HydrophobicContact CD1-CD1 3.51Å; I206-F287 HydrophobicContact CD1-CD2 4.09Å; I206-F287 HydrophobicContact CD1-CE1 4.08Å; I206-F287 HydrophobicContact CD1-CG 3.53Å; V279-F287 HydrophobicContact CG1-CD2 4.43Å; V279-F287 HydrophobicContact CG1-CE2 3.86Å; A283-F287 HydrophobicContact CB-CE2 4.25Å; T284-F287 PolarHBondContact O-N 2.89Å; P285-F287 PolarHBondContact O-N 3.21Å; F287-P289 VanDerWaalsContact O-N 3.13Å; F287-T290 VanDerWaalsContact O-CB 3.3Å; F287-T290 WeakPolarHBondContact O-CB 3.31Å; F287-T290 VanDerWaalsContact O-CG2 3.23Å; F287-T290 WeakPolarHBondContact O-CG2 3.16Å; F287-T290 PolarHBondContact O-N 3.39Å; F287-T290 PolarHBondContact O-OG1 3.4Å; F287-Y332 VanDerWaalsContact CB-CB 3.42Å; F287-Y332 HydrophobicContact CB-CD1 4.1Å; F287-Y332 HydrophobicContact CB-CD2 3.85Å; F287-Y332 HydrophobicContact CB-CG 3.51Å; F287-Y332 AromaticContact CD2-CD1 3.63Å; F287-Y332 HydrophobicContact CD2-CD1 3.63Å; F287-Y332 AromaticContact CD2-CD2 3.92Å; F287-Y332 HydrophobicContact CD2-CD2 3.92Å; F287-Y332 AromaticContact CD2-CE1 3.66Å; F287-Y332 HydrophobicContact CD2-CE1 3.66Å; F287-Y332 AromaticContact CD2-CE2 3.95Å; F287-Y332 HydrophobicContact CD2-CE2 3.95Å; F287-Y332 AromaticContact CD2-CG 3.75Å; F287-Y332 HydrophobicContact CD2-CG 3.75Å; F287-Y332 AromaticContact CD2-CZ 3.83Å; F287-Y332 HydrophobicContact CE2-CE1 4.21Å; F287-Y332 HydrophobicContact CG-CD1 4.35Å; F287-Y332 HydrophobicContact CG-CD2 4.16Å; F287-Y332 HydrophobicContact CG-CG 4.06Å
288	L	94.4	Very high	94.9	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-33.1	171.2	-73.1	174	0	0	0	115.2	L76 T284 P285 T290 V291 L323	L76-L288 HydrophobicContact CB-CD1 3.61Å; L76-L288 HydrophobicContact CD1-CD1 4.05Å; L76-L288 HydrophobicContact CG-CD1 4.49Å; T284-L288 PolarHBondContact O-N 3.18Å; P285-L288 WeakPolarHBondContact O-CG 3.47Å; P285-L288 PolarHBondContact O-N 3.37Å; L288-T290 PolarHBondContact O-N 3.4Å; L288-V291 WeakPolarHBondContact O-CB 3.48Å; L288-V291 WeakPolarHBondContact O-CG2 3.33Å; L288-V291 PolarHBondContact O-N 3.39Å; L288-L323 HydrophobicContact CB-CD2 4.25Å; L288-L323 WeakPolarHBondContact O-CD2 3.4Å
289	P	92.3	Very high	95	Very high	6 Å²	6	22.4 Å²	22.4	4%	0.039	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-12.5	174.3	-28.7	38.9	0	0	0	115.5	A286 F287 V291 V292 L293	A286-P289 VanDerWaalsContact O-CD 3.32Å; A286-P289 WeakPolarHBondContact O-CD 3.41Å; F287-P289 VanDerWaalsContact O-N 3.13Å; P289-V291 PolarHBondContact O-N 3.48Å; P289-V292 WeakPolarHBondContact O-CB 3.37Å; P289-V292 PolarHBondContact O-N 3.33Å; P289-L293 PolarHBondContact O-N 3.19Å
290	T	96.1	Very high	95.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.7	-30.3	170.5	53.2	0	0	0	0	113	I206 L269 F287 L288 V292 L293 E294 Y332	I206-T290 HydrophobicContact CB-CG2 4.48Å; I206-T290 HydrophobicContact CD1-CG2 3.75Å; I206-T290 HydrophobicContact CG1-CG2 3.81Å; I206-T290 HydrophobicContact CG2-CG2 3.79Å; L269-T290 HydrophobicContact CD1-CG2 3.91Å; F287-T290 VanDerWaalsContact O-CB 3.3Å; F287-T290 WeakPolarHBondContact O-CB 3.31Å; F287-T290 VanDerWaalsContact O-CG2 3.23Å; F287-T290 WeakPolarHBondContact O-CG2 3.16Å; F287-T290 PolarHBondContact O-N 3.39Å; F287-T290 PolarHBondContact O-OG1 3.4Å; L288-T290 PolarHBondContact O-N 3.4Å; T290-V292 VanDerWaalsContact C-N 3.29Å; T290-V292 PolarHBondContact O-N 3.17Å; T290-L293 WeakPolarHBondContact O-CB 3.45Å; T290-L293 PolarHBondContact O-N 3.25Å; T290-E294 WeakPolarHBondContact O-CB 3.44Å; T290-E294 PolarHBondContact O-N 3.26Å; T290-Y332 WeakPolarHBondContact CB-OXT 3.46Å; T290-Y332 HydrophobicContact CG2-CD2 4.28Å; T290-Y332 PolarHBondContact OG1-OXT 3.19Å; T290-Y332 VanDerWaalsContact OG1-OXT 3.07Å
291	V	96	Very high	95.4	Very high	11 Å²	11	26.3 Å²	26.3	7%	0.067	14%	0.142	C	C	.	.	H	α-helix	trans	-60	-42.9	176.2	177.3	0	0	0	0	110.9	L288 P289 D295 L319 Q322 L323 R326	L288-V291 WeakPolarHBondContact O-CB 3.48Å; L288-V291 WeakPolarHBondContact O-CG2 3.33Å; L288-V291 PolarHBondContact O-N 3.39Å; P289-V291 PolarHBondContact O-N 3.48Å; V291-D295 WeakPolarHBondContact O-CB 3.49Å; V291-D295 PolarHBondContact O-N 3.34Å; V291-L319 HydrophobicContact CG1-CD1 4.2Å; V291-Q322 HydrophobicContact CG1-CB 3.8Å; V291-L323 HydrophobicContact CB-CD2 3.81Å; V291-L323 HydrophobicContact CB-CG 4.47Å; V291-L323 HydrophobicContact CG1-CD2 4.2Å; V291-L323 HydrophobicContact CG1-CG 4.33Å; V291-L323 HydrophobicContact CG2-CD2 4.08Å; V291-R326 HydrophobicContact CG2-CB 3.7Å; V291-R326 HydrophobicContact CG2-CG 3.76Å
292	V	94.8	Very high	95.7	Very high	10 Å²	10	31.1 Å²	31.1	6%	0.061	15%	0.151	C	C	.	.	H	α-helix	trans	-67.6	-42.9	178.6	174.7	0	0	0	0	110.8	E69 P289 T290 Y296 L319	E69-V292 HydrophobicContact CB-CG1 4.16Å; E69-V292 HydrophobicContact CB-CG2 3.94Å; E69-V292 HydrophobicContact CG-CG1 4.01Å; E69-V292 HydrophobicContact CG-CG2 4.31Å; E69-V292 WeakPolarHBondContact OE1-CG1 3.38Å; E69-V292 WeakPolarHBondContact OE2-CG1 3.23Å; P289-V292 WeakPolarHBondContact O-CB 3.37Å; P289-V292 PolarHBondContact O-N 3.33Å; T290-V292 VanDerWaalsContact C-N 3.29Å; T290-V292 PolarHBondContact O-N 3.17Å; V292-Y296 WeakPolarHBondContact O-CB 3.25Å; V292-Y296 PolarHBondContact O-N 3.22Å; V292-L319 HydrophobicContact CG2-CD1 3.7Å; V292-L319 HydrophobicContact CG2-CD2 4.04Å; V292-L319 HydrophobicContact CG2-CG 4.42Å
293	L	96.1	Very high	95.9	Very high	4 Å²	4	29 Å²	29	2%	0.021	13%	0.134	C	C	.	.	H	α-helix	trans	-61.4	-49.1	177.5	171	62.1	0	0	0	110.8	A209 Q210 A213 L269 P289 T290 Y296 L297	A209-L293 HydrophobicContact CB-CD1 4.43Å; A209-L293 HydrophobicContact CB-CD2 3.47Å; A209-L293 VanDerWaalsContact CB-CD2 3.47Å; Q210-L293 HydrophobicContact CG-CD2 4.25Å; A213-L293 HydrophobicContact CB-CD1 3.38Å; L269-L293 HydrophobicContact CB-CD2 4.39Å; L269-L293 HydrophobicContact CD1-CD2 4.07Å; L269-L293 HydrophobicContact CD2-CD2 4.29Å; L269-L293 HydrophobicContact CD2-CG 4.38Å; L269-L293 HydrophobicContact CG-CD2 4.49Å; P289-L293 PolarHBondContact O-N 3.19Å; T290-L293 WeakPolarHBondContact O-CB 3.45Å; T290-L293 PolarHBondContact O-N 3.25Å; L293-Y296 PolarHBondContact O-N 3.3Å; L293-L297 HydrophobicContact CD1-CD1 3.93Å; L293-L297 HydrophobicContact CD1-CG 4.1Å; L293-L297 HydrophobicContact CG-CD1 4.16Å; L293-L297 WeakPolarHBondContact O-CG 3.42Å; L293-L297 PolarHBondContact O-N 3.27Å
294	E	96.1	Very high	96	Very high	62 Å²	62	33.3 Å²	33.3	29%	0.29	16%	0.157	S	C	.	.	H	α-helix	trans	-62.6	-43.9	178.2	-177	165.7	-132.1	0	0	112	L269 R273 T290 Y296 L297 Q298	L269-E294 HydrophobicContact CD2-CB 4.24Å; R273-E294 IonicContact CZ-OE1 3.51Å; R273-E294 IonicContact CZ-OE2 3.18Å; R273-E294 IonicContact NH1-OE1 2.75Å; R273-E294 PolarHBondContact NH1-OE1 3.16Å; R273-E294 IonicContact NH2-OE1 3.9Å; R273-E294 PolarHBondContact NH2-OE1 3.23Å; R273-E294 VanDerWaalsContact NH2-OE1 3.13Å; R273-E294 IonicContact NH2-OE2 2.66Å; R273-E294 PolarHBondContact NH2-OE2 2.85Å; T290-E294 WeakPolarHBondContact O-CB 3.44Å; T290-E294 PolarHBondContact O-N 3.26Å; E294-Y296 VanDerWaalsContact C-N 3.32Å; E294-Y296 PolarHBondContact O-N 2.92Å; E294-L297 PolarHBondContact O-N 3.35Å; E294-Q298 HydrophobicContact CG-CG 4.41Å; E294-Q298 WeakPolarHBondContact O-CB 3.1Å; E294-Q298 VanDerWaalsContact O-CG 3.27Å; E294-Q298 WeakPolarHBondContact O-CG 3.48Å; E294-Q298 PolarHBondContact O-N 3.36Å
295	D	95.8	Very high	96.3	Very high	26 Å²	26	34.3 Å²	34.3	14%	0.139	16%	0.16	C	C	.	.	H	α-helix	trans	-55.6	-48.4	174	178.8	73.2	0	0	0	111.5	V291 Q298 R299 N316	V291-D295 WeakPolarHBondContact O-CB 3.49Å; V291-D295 PolarHBondContact O-N 3.34Å; D295-Q298 PolarHBondContact O-N 3.28Å; D295-R299 WeakPolarHBondContact O-CB 3.39Å; D295-R299 WeakPolarHBondContact O-CD 3.46Å; D295-R299 VanDerWaalsContact O-CG 3.23Å; D295-R299 WeakPolarHBondContact O-CG 3.18Å; D295-R299 PolarHBondContact O-N 3.45Å; D295-R299 WeakPolarHBondContact OD2-CD 3.25Å; D295-R299 IonicContact OD2-CZ 3.9Å; D295-R299 IonicContact OD2-NE 2.85Å; D295-R299 IonicContact OD2-NH1 3.48Å; D295-R299 PolarHBondContact OD2-NH1 3.43Å; D295-N316 PolarHBondContact OD1-ND2 3.4Å
296	Y	96.9	Very high	96.5	Very high	6 Å²	6	33.6 Å²	33.6	2%	0.024	16%	0.155	C	C	.	.	H	α-helix	trans	-63.2	-48.8	-179.5	-179.5	-100.6	0	0	0	111.9	A213 L216 R217 V292 L293 E294 Q298 R299 V300 L312	A213-Y296 HydrophobicContact CB-CD1 3.97Å; A213-Y296 HydrophobicContact CB-CE1 4.3Å; L216-Y296 HydrophobicContact CB-CE1 4.16Å; R217-Y296 VanDerWaalsContact CA-OH 3.25Å; R217-Y296 WeakPolarHBondContact CA-OH 3.39Å; R217-Y296 HydrophobicContact CB-CE1 4.38Å; R217-Y296 HydrophobicContact CB-CE2 3.92Å; R217-Y296 HydrophobicContact CG-CE2 3.96Å; R217-Y296 PolarHBondContact N-OH 2.83Å; R217-Y296 VanDerWaalsContact N-OH 3.14Å; V292-Y296 WeakPolarHBondContact O-CB 3.25Å; V292-Y296 PolarHBondContact O-N 3.22Å; L293-Y296 PolarHBondContact O-N 3.3Å; E294-Y296 VanDerWaalsContact C-N 3.32Å; E294-Y296 PolarHBondContact O-N 2.92Å; Y296-Q298 VanDerWaalsContact C-N 3.32Å; Y296-Q298 PolarHBondContact O-N 3.33Å; Y296-R299 PolarHBondContact O-N 3.11Å; Y296-R299 VanDerWaalsContact O-N 3.12Å; Y296-V300 HydrophobicContact CD1-CG2 4.1Å; Y296-V300 HydrophobicContact CD2-CG2 4.48Å; Y296-V300 HydrophobicContact CE1-CG2 3.6Å; Y296-V300 HydrophobicContact CE2-CG2 4.01Å; Y296-V300 WeakPolarHBondContact O-CG2 3.26Å; Y296-V300 PolarHBondContact O-N 2.87Å; Y296-L312 HydrophobicContact CE2-CD2 4.44Å
297	L	97.4	Very high	96.5	Very high	15 Å²	15	33.5 Å²	33.5	8%	0.079	15%	0.154	C	C	.	.	H	α-helix	trans	-60.8	-41	178.8	-67.5	176.6	0	0	0	111.8	A262 A265 H266 L293 E294 R299 V300 R301	A262-L297 HydrophobicContact CB-CD2 4.26Å; A265-L297 HydrophobicContact CB-CD1 4.27Å; A265-L297 HydrophobicContact CB-CD2 3.94Å; H266-L297 HydrophobicContact CB-CD1 4.24Å; L293-L297 HydrophobicContact CD1-CD1 3.93Å; L293-L297 HydrophobicContact CD1-CG 4.1Å; L293-L297 HydrophobicContact CG-CD1 4.16Å; L293-L297 WeakPolarHBondContact O-CG 3.42Å; L293-L297 PolarHBondContact O-N 3.27Å; E294-L297 PolarHBondContact O-N 3.35Å; L297-R299 VanDerWaalsContact C-N 3.32Å; L297-R299 PolarHBondContact O-N 3.16Å; L297-V300 PolarHBondContact O-N 3.39Å; L297-R301 WeakPolarHBondContact O-CB 3.19Å; L297-R301 PolarHBondContact O-N 2.94Å
298	Q	97.1	Very high	96.6	Very high	64 Å²	64	34.7 Å²	34.7	30%	0.299	16%	0.159	S	C	.	.	H	α-helix	trans	-65.1	-35.8	175.7	-71.6	-60.3	-28.5	0	0	112.5	E294 D295 Y296 K302	E294-Q298 HydrophobicContact CG-CG 4.41Å; E294-Q298 WeakPolarHBondContact O-CB 3.1Å; E294-Q298 VanDerWaalsContact O-CG 3.27Å; E294-Q298 WeakPolarHBondContact O-CG 3.48Å; E294-Q298 PolarHBondContact O-N 3.36Å; D295-Q298 PolarHBondContact O-N 3.28Å; Y296-Q298 VanDerWaalsContact C-N 3.32Å; Y296-Q298 PolarHBondContact O-N 3.33Å; Q298-K302 WeakPolarHBondContact O-CB 3.36Å; Q298-K302 VanDerWaalsContact O-CG 3.3Å; Q298-K302 WeakPolarHBondContact O-CG 3.38Å; Q298-K302 PolarHBondContact O-N 3.45Å
299	R	97.1	Very high	96.7	Very high	42 Å²	42	38.1 Å²	38.1	16%	0.158	18%	0.175	C	C	.	.	H	α-helix	trans	-73.3	-38	177.5	-72.3	164.8	60.7	-165.4	-4.7	112.3	D295 Y296 L297 R301 K302 A303 S311 L312 N314	D295-R299 WeakPolarHBondContact O-CB 3.39Å; D295-R299 WeakPolarHBondContact O-CD 3.46Å; D295-R299 VanDerWaalsContact O-CG 3.23Å; D295-R299 WeakPolarHBondContact O-CG 3.18Å; D295-R299 PolarHBondContact O-N 3.45Å; D295-R299 WeakPolarHBondContact OD2-CD 3.25Å; D295-R299 IonicContact OD2-CZ 3.9Å; D295-R299 IonicContact OD2-NE 2.85Å; D295-R299 IonicContact OD2-NH1 3.48Å; D295-R299 PolarHBondContact OD2-NH1 3.43Å; Y296-R299 PolarHBondContact O-N 3.11Å; Y296-R299 VanDerWaalsContact O-N 3.12Å; L297-R299 VanDerWaalsContact C-N 3.32Å; L297-R299 PolarHBondContact O-N 3.16Å; R299-R301 VanDerWaalsContact C-N 3.33Å; R299-K302 PolarHBondContact O-N 2.95Å; R299-A303 WeakPolarHBondContact O-CB 3.49Å; R299-A303 PolarHBondContact O-N 2.59Å; R299-S311 PolarHBondContact NH2-O 3.06Å; R299-L312 HydrophobicContact CB-CD2 3.7Å; R299-N314 PolarHBondContact NH2-O 2.73Å
300	V	97.4	Very high	96.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.7	-46.5	171.8	171.7	0	0	0	0	109.8	V258 A262 Y296 L297 K302 A303 D304 F305 L312	V258-V300 HydrophobicContact CG1-CG1 3.87Å; A262-V300 HydrophobicContact CB-CG1 4.39Å; Y296-V300 HydrophobicContact CD1-CG2 4.1Å; Y296-V300 HydrophobicContact CD2-CG2 4.48Å; Y296-V300 HydrophobicContact CE1-CG2 3.6Å; Y296-V300 HydrophobicContact CE2-CG2 4.01Å; Y296-V300 WeakPolarHBondContact O-CG2 3.26Å; Y296-V300 PolarHBondContact O-N 2.87Å; L297-V300 PolarHBondContact O-N 3.39Å; V300-K302 PolarHBondContact O-N 3.35Å; V300-A303 CarbonylContact O-C 3.49Å; V300-A303 PolarHBondContact O-N 3.24Å; V300-D304 PolarHBondContact O-N 3.16Å; V300-F305 HydrophobicContact CG1-CD1 3.69Å; V300-F305 HydrophobicContact CG1-CE1 4.31Å; V300-F305 HydrophobicContact CG1-CG 4.42Å; V300-F305 WeakPolarHBondContact O-CA 3.3Å; V300-F305 PolarHBondContact O-N 3.13Å; V300-L312 HydrophobicContact CG2-CD1 3.95Å; V300-L312 HydrophobicContact CG2-CD2 3.89Å
301	R	97.9	Very high	96.5	Very high	144 Å²	144	47.6 Å²	47.6	54%	0.543	22%	0.221	S	C	.	.	H	α-helix	trans	-59.2	-45.6	174.9	-173.8	179.5	72.5	106.1	-3.5	112.7	L297 R299 A303 D304 F305	L297-R301 WeakPolarHBondContact O-CB 3.19Å; L297-R301 PolarHBondContact O-N 2.94Å; R299-R301 VanDerWaalsContact C-N 3.33Å; R301-A303 PolarHBondContact O-N 3.32Å; R301-D304 PolarHBondContact O-N 3.25Å; R301-D304 VanDerWaalsContact O-N 3.09Å; R301-F305 HydrophobicContact CB-CE1 4.44Å; R301-F305 HydrophobicContact CB-CZ 4.04Å; R301-F305 HydrophobicContact CG-CE2 4.33Å; R301-F305 HydrophobicContact CG-CZ 3.93Å
302	K	97.7	Very high	96.4	Very high	165 Å²	165	47.7 Å²	47.7	72%	0.717	22%	0.221	S	C	*	.	H	α-helix	trans	-65.8	-26.3	177.5	-76.1	176.1	-178.9	-179.3	0	113.4	Q298 R299 V300 D304	Q298-K302 WeakPolarHBondContact O-CB 3.36Å; Q298-K302 VanDerWaalsContact O-CG 3.3Å; Q298-K302 WeakPolarHBondContact O-CG 3.38Å; Q298-K302 PolarHBondContact O-N 3.45Å; R299-K302 PolarHBondContact O-N 2.95Å; V300-K302 PolarHBondContact O-N 3.35Å; K302-D304 PolarHBondContact O-N 3.22Å
303	A	97.3	Very high	95.9	Very high	11 Å²	11	52.4 Å²	52.4	9%	0.091	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	13.8	174.5	0	0	0	0	0	112.6	R299 V300 R301 F305 D306 H309	R299-A303 WeakPolarHBondContact O-CB 3.49Å; R299-A303 PolarHBondContact O-N 2.59Å; V300-A303 CarbonylContact O-C 3.49Å; V300-A303 PolarHBondContact O-N 3.24Å; R301-A303 PolarHBondContact O-N 3.32Å; A303-F305 PolarHBondContact O-N 3.05Å; A303-D306 WeakPolarHBondContact O-CB 3.41Å; A303-D306 PolarHBondContact O-N 3.31Å; A303-H309 HydrophobicContact CB-CB 3.83Å
304	D	97.8	Very high	95.5	Very high	90 Å²	90	57.6 Å²	57.6	48%	0.481	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	39.4	-176	-164.1	33.1	0	0	0	112	R255 V300 R301 K302 D306	R255-D304 WeakPolarHBondContact CD-O 3.09Å; R255-D304 IonicContact CZ-OD2 3.99Å; R255-D304 IonicContact NH1-OD2 2.63Å; R255-D304 PolarHBondContact NH1-OD2 2.63Å; R255-D304 IonicContact NH2-OD2 2.73Å; V300-D304 PolarHBondContact O-N 3.16Å; R301-D304 PolarHBondContact O-N 3.25Å; R301-D304 VanDerWaalsContact O-N 3.09Å; K302-D304 PolarHBondContact O-N 3.22Å; D304-D306 PolarHBondContact O-N 3.45Å; D304-D306 VanDerWaalsContact O-N 3.1Å
305	F	98.3	Very high	95.1	Very high	32 Å²	32	62.1 Å²	62.1	14%	0.14	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	18.6	180	-52.9	-88.7	0	0	0	114.8	R255 V258 F259 A262 V300 R301 A303 V307	R255-F305 HydrophobicContact CB-CB 4.35Å; R255-F305 WeakPolarHBondContact O-CB 3.17Å; V258-F305 HydrophobicContact CB-CB 4.22Å; V258-F305 WeakPolarHBondContact CB-O 3.44Å; V258-F305 HydrophobicContact CG1-CB 4.04Å; V258-F305 HydrophobicContact CG1-CD1 4.48Å; V258-F305 WeakPolarHBondContact CG1-O 3.27Å; F259-F305 HydrophobicContact CB-CB 4.39Å; F259-F305 HydrophobicContact CB-CD1 3.96Å; F259-F305 HydrophobicContact CB-CD2 4.27Å; F259-F305 HydrophobicContact CB-CE1 4.34Å; F259-F305 HydrophobicContact CB-CG 3.93Å; F259-F305 HydrophobicContact CD2-CD1 4.13Å; F259-F305 AromaticContact CD2-CD2 3.94Å; F259-F305 HydrophobicContact CD2-CD2 3.94Å; F259-F305 AromaticContact CD2-CE1 3.71Å; F259-F305 HydrophobicContact CD2-CE1 3.71Å; F259-F305 AromaticContact CD2-CE2 3.52Å; F259-F305 HydrophobicContact CD2-CE2 3.52Å; F259-F305 HydrophobicContact CD2-CG 4.25Å; F259-F305 AromaticContact CD2-CZ 3.39Å; F259-F305 HydrophobicContact CD2-CZ 3.39Å; F259-F305 HydrophobicContact CE2-CE2 4.17Å; F259-F305 AromaticContact CE2-CZ 3.93Å; F259-F305 HydrophobicContact CE2-CZ 3.93Å; F259-F305 HydrophobicContact CG-CE1 4.46Å; F259-F305 HydrophobicContact CG-CZ 4.48Å; A262-F305 HydrophobicContact CB-CD1 4.33Å; A262-F305 HydrophobicContact CB-CE1 4.25Å; V300-F305 HydrophobicContact CG1-CD1 3.69Å; V300-F305 HydrophobicContact CG1-CE1 4.31Å; V300-F305 HydrophobicContact CG1-CG 4.42Å; V300-F305 WeakPolarHBondContact O-CA 3.3Å; V300-F305 PolarHBondContact O-N 3.13Å; R301-F305 HydrophobicContact CB-CE1 4.44Å; R301-F305 HydrophobicContact CB-CZ 4.04Å; R301-F305 HydrophobicContact CG-CE2 4.33Å; R301-F305 HydrophobicContact CG-CZ 3.93Å; A303-F305 PolarHBondContact O-N 3.05Å; F305-V307 PolarHBondContact O-N 2.69Å; F305-V307 VanDerWaalsContact O-N 3.08Å
306	D	97.8	Very high	94.8	Very high	14 Å²	14	62.2 Å²	62.2	8%	0.075	29%	0.288	C	S	.	.			trans	-72.5	97	166.8	175.9	12.2	0	0	0	110.4	R250 A303 D304 F308 H309 L312	R250-D306 IonicContact CZ-OD2 3.76Å; R250-D306 VanDerWaalsContact CZ-OD2 3.32Å; R250-D306 IonicContact NE-OD2 3.01Å; R250-D306 IonicContact NH1-OD2 3.57Å; R250-D306 PolarHBondContact NH1-OD2 2.87Å; R250-D306 IonicContact NH2-OD2 3.53Å; A303-D306 WeakPolarHBondContact O-CB 3.41Å; A303-D306 PolarHBondContact O-N 3.31Å; D304-D306 PolarHBondContact O-N 3.45Å; D304-D306 VanDerWaalsContact O-N 3.1Å; D306-F308 PolarHBondContact O-N 2.88Å; D306-F308 WeakPolarHBondContact OD1-CA 3.48Å; D306-F308 WeakPolarHBondContact OD1-CB 3.38Å; D306-F308 PolarHBondContact OD1-N 3.35Å; D306-H309 HydrophobicContact CB-CB 4.06Å; D306-H309 WeakPolarHBondContact O-CB 3.42Å; D306-H309 PolarHBondContact O-N 2.85Å; D306-H309 PolarHBondContact OD1-N 3.38Å; D306-H309 IonicContact OD2-CD2 3.78Å; D306-L312 VanDerWaalsContact O-CD1 3.28Å; D306-L312 WeakPolarHBondContact O-CD1 3.48Å
307	V	96.7	Very high	94.5	Very high	1 Å²	1	67.3 Å²	67.3	1%	0.006	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.2	178.7	72.2	0	0	0	0	113.4	L216 T219 P220 V258 F305	L216-V307 WeakPolarHBondContact O-CG2 3.46Å; T219-V307 HydrophobicContact CG2-CG1 3.96Å; T219-V307 HydrophobicContact CG2-CG2 4.38Å; P220-V307 VanDerWaalsContact CG-O 3.27Å; P220-V307 WeakPolarHBondContact CG-O 3.45Å; V258-V307 HydrophobicContact CG1-CB 4.29Å; V258-V307 HydrophobicContact CG2-CB 3.82Å; V258-V307 HydrophobicContact CG2-CG1 3.93Å; F305-V307 PolarHBondContact O-N 2.69Å; F305-V307 VanDerWaalsContact O-N 3.08Å
308	F	96.8	Very high	94.3	Very high	25 Å²	25	71.7 Å²	71.7	11%	0.11	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	6	176.5	-56.2	-77.1	0	0	0	112.7	T219 P220 F245 R250 V254 D306 K310	T219-F308 HydrophobicContact CG2-CE1 4.33Å; T219-F308 HydrophobicContact CG2-CZ 4.02Å; P220-F308 HydrophobicContact CB-CD1 4.02Å; P220-F308 HydrophobicContact CB-CE1 4.32Å; P220-F308 HydrophobicContact CG-CD1 4Å; P220-F308 HydrophobicContact CG-CE1 4.37Å; F245-F308 HydrophobicContact CD1-CZ 4.49Å; F245-F308 VanDerWaalsContact O-CZ 3.27Å; F245-F308 WeakPolarHBondContact O-CZ 3.05Å; R250-F308 PolarHBondContact NH2-O 3.38Å; R250-F308 VanDerWaalsContact NH2-O 3.1Å; V254-F308 HydrophobicContact CG1-CE2 4.32Å; D306-F308 PolarHBondContact O-N 2.88Å; D306-F308 WeakPolarHBondContact OD1-CA 3.48Å; D306-F308 WeakPolarHBondContact OD1-CB 3.38Å; D306-F308 PolarHBondContact OD1-N 3.35Å; F308-K310 PolarHBondContact O-N 3.43Å
309	H	96.5	Very high	94.1	Very high	72 Å²	72	69 Å²	69	33%	0.333	33%	0.333	S	S	.	.			trans	-66.5	129.8	179.5	-166.8	-88.2	0	0	0	111.1	A303 D306 S311 L312	A303-H309 HydrophobicContact CB-CB 3.83Å; D306-H309 HydrophobicContact CB-CB 4.06Å; D306-H309 WeakPolarHBondContact O-CB 3.42Å; D306-H309 PolarHBondContact O-N 2.85Å; D306-H309 PolarHBondContact OD1-N 3.38Å; D306-H309 IonicContact OD2-CD2 3.78Å; H309-S311 PolarHBondContact CE1-OG 3.34Å; H309-S311 VanDerWaalsContact ND1-CB 3.26Å; H309-S311 WeakPolarHBondContact ND1-CB 3.21Å; H309-S311 PolarHBondContact ND1-N 3.47Å; H309-S311 VanDerWaalsContact ND1-N 3.15Å; H309-S311 PolarHBondContact ND1-OG 2.96Å; H309-S311 PolarHBondContact O-N 3.32Å; H309-L312 HydrophobicContact CB-CG 4.46Å; H309-L312 WeakPolarHBondContact O-CB 2.82Å; H309-L312 PolarHBondContact O-N 3.34Å
310	K	92.6	Very high	94	Very high	160 Å²	160	69.6 Å²	69.6	70%	0.696	34%	0.342	S	S	*	.	H	α-helix	trans	-56.6	-30.6	-175.9	-69.1	-177.4	-179.7	178.1	0	113.1	F308 L312 L313	F308-K310 PolarHBondContact O-N 3.43Å; K310-L312 PolarHBondContact O-N 2.88Å; K310-L313 PolarHBondContact O-N 3.19Å
311	S	92.6	Very high	93.8	Very high	45 Å²	45	76 Å²	76	32%	0.315	37%	0.37	S	S	.	.	H	α-helix	trans	-58.6	-31.4	177.7	73.4	0	0	0	0	111.7	R299 H309	R299-S311 PolarHBondContact NH2-O 3.06Å; H309-S311 PolarHBondContact CE1-OG 3.34Å; H309-S311 VanDerWaalsContact ND1-CB 3.26Å; H309-S311 WeakPolarHBondContact ND1-CB 3.21Å; H309-S311 PolarHBondContact ND1-N 3.47Å; H309-S311 VanDerWaalsContact ND1-N 3.15Å; H309-S311 PolarHBondContact ND1-OG 2.96Å; H309-S311 PolarHBondContact O-N 3.32Å
312	L	93.1	Very high	93.7	Very high	14 Å²	14	72.2 Å²	72.2	7%	0.073	36%	0.358	C	S	.	.	H	α-helix	trans	-76.9	-20.1	-177.8	-59.3	179.5	0	0	0	113.7	Y296 R299 V300 D306 H309 K310	Y296-L312 HydrophobicContact CE2-CD2 4.44Å; R299-L312 HydrophobicContact CB-CD2 3.7Å; V300-L312 HydrophobicContact CG2-CD1 3.95Å; V300-L312 HydrophobicContact CG2-CD2 3.89Å; D306-L312 VanDerWaalsContact O-CD1 3.28Å; D306-L312 WeakPolarHBondContact O-CD1 3.48Å; H309-L312 HydrophobicContact CB-CG 4.46Å; H309-L312 WeakPolarHBondContact O-CB 2.82Å; H309-L312 PolarHBondContact O-N 3.34Å; K310-L312 PolarHBondContact O-N 2.88Å
313	L	85.9	Confident	93.5	Very high	109 Å²	109	64.4 Å²	64.4	57%	0.571	33%	0.325	S	S	*	.	H	α-helix	trans	-79.2	-27.2	-178.7	-57.9	177.9	0	0	0	112.4	P220 K310	P220-L313 HydrophobicContact CB-CD2 4.28Å; P220-L313 HydrophobicContact CG-CD2 4.3Å; K310-L313 PolarHBondContact O-N 3.19Å
314	N	87.8	Confident	93.3	Very high	113 Å²	113	70.8 Å²	70.8	60%	0.604	35%	0.347	S	S	*	.	S	Bend	trans	-84	149.2	-177.9	-66.8	-28.9	0	0	0	111.4	R299	R299-N314 PolarHBondContact NH2-O 2.73Å
315	R	86.3	Confident	93.1	Very high	157 Å²	157	69.4 Å²	69.4	59%	0.592	34%	0.34	S	S	*	.			trans	-72.8	146.1	172.2	-64.1	-179.6	-177.1	178.5	0.8	110	P317	R315-P317 VanDerWaalsContact O-CD 3.31Å; R315-P317 WeakPolarHBondContact O-CD 2.89Å
316	N	89.8	Confident	92.9	Very high	27 Å²	27	71 Å²	71	14%	0.144	35%	0.345	C	S	.	.			trans	-73.6	115.8	169.7	177.9	-4	0	0	0	108.9	D295 L318 L319 Q322	D295-N316 PolarHBondContact OD1-ND2 3.4Å; N316-L318 PolarHBondContact O-N 3.1Å; N316-L318 WeakPolarHBondContact OD1-CB 3.43Å; N316-L318 PolarHBondContact OD1-N 3.14Å; N316-L319 HydrophobicContact CB-CB 4.33Å; N316-L319 VanDerWaalsContact O-CB 3.24Å; N316-L319 WeakPolarHBondContact O-CB 3.35Å; N316-L319 PolarHBondContact O-N 3.29Å; N316-Q322 PolarHBondContact ND2-OE1 2.78Å
317	P	91.1	Very high	92.5	Very high	113 Å²	113	72.1 Å²	72.1	73%	0.734	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-22.1	-178.8	28.7	-35.4	0	0	0	113.1	R315 L319 P320	R315-P317 VanDerWaalsContact O-CD 3.31Å; R315-P317 WeakPolarHBondContact O-CD 2.89Å; P317-L319 VanDerWaalsContact C-N 3.3Å; P317-P320 WeakPolarHBondContact O-CD 3.33Å
318	L	93.6	Very high	92.2	Very high	108 Å²	108	80.7 Å²	80.7	57%	0.565	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-1.4	178.5	-59.3	178.7	0	0	0	113	N316 F321 Q322	N316-L318 PolarHBondContact O-N 3.1Å; N316-L318 WeakPolarHBondContact OD1-CB 3.43Å; N316-L318 PolarHBondContact OD1-N 3.14Å; L318-F321 WeakPolarHBondContact O-CB 3.45Å; L318-F321 PolarHBondContact O-N 3.47Å; L318-F321 VanDerWaalsContact O-N 3.09Å; L318-Q322 WeakPolarHBondContact O-CG 3.41Å; L318-Q322 PolarHBondContact O-N 3.15Å
319	L	93.1	Very high	91.8	Very high	8 Å²	8	85 Å²	85	4%	0.042	41%	0.405	C	S	.	.	H	α-helix	trans	-55.5	-44.7	-177.3	178.7	66.3	0	0	0	113.5	E69 L72 V291 V292 N316 P317 F321 Q322 L323	E69-L319 HydrophobicContact CB-CD2 4.49Å; E69-L319 HydrophobicContact CG-CD2 3.89Å; L72-L319 HydrophobicContact CD1-CD2 4.3Å; V291-L319 HydrophobicContact CG1-CD1 4.2Å; V292-L319 HydrophobicContact CG2-CD1 3.7Å; V292-L319 HydrophobicContact CG2-CD2 4.04Å; V292-L319 HydrophobicContact CG2-CG 4.42Å; N316-L319 HydrophobicContact CB-CB 4.33Å; N316-L319 VanDerWaalsContact O-CB 3.24Å; N316-L319 WeakPolarHBondContact O-CB 3.35Å; N316-L319 PolarHBondContact O-N 3.29Å; P317-L319 VanDerWaalsContact C-N 3.3Å; L319-F321 VanDerWaalsContact C-N 3.28Å; L319-F321 PolarHBondContact O-N 2.9Å; L319-Q322 PolarHBondContact O-N 3.09Å; L319-L323 HydrophobicContact CD1-CD1 4.13Å; L319-L323 HydrophobicContact CD1-CG 4.06Å; L319-L323 HydrophobicContact CD2-CD1 4.5Å; L319-L323 HydrophobicContact CG-CD1 3.93Å; L319-L323 HydrophobicContact CG-CG 4.33Å; L319-L323 WeakPolarHBondContact O-CB 3.47Å; L319-L323 WeakPolarHBondContact O-CG 3.37Å; L319-L323 PolarHBondContact O-N 2.77Å
320	P	94.3	Very high	91.2	Very high	54 Å²	54	88.5 Å²	88.5	35%	0.351	42%	0.419	S	S	.	.	H	α-helix	trans	-58.9	-39.4	176.9	-22.8	33	0	0	0	112.8	L72 P317 Y324	L72-P320 HydrophobicContact CD1-CB 4.42Å; L72-P320 HydrophobicContact CD1-CG 3.86Å; P317-P320 WeakPolarHBondContact O-CD 3.33Å; P320-Y324 WeakPolarHBondContact O-CB 3.46Å; P320-Y324 PolarHBondContact O-N 3.31Å
321	F	94.2	Very high	90.8	Very high	134 Å²	134	83.6 Å²	83.6	59%	0.588	40%	0.402	S	S	*	.	H	α-helix	trans	-68.3	-43.1	178.1	178.1	-97.8	0	0	0	111.7	L318 L319 Y324 L325	L318-F321 WeakPolarHBondContact O-CB 3.45Å; L318-F321 PolarHBondContact O-N 3.47Å; L318-F321 VanDerWaalsContact O-N 3.09Å; L319-F321 VanDerWaalsContact C-N 3.28Å; L319-F321 PolarHBondContact O-N 2.9Å; F321-Y324 PolarHBondContact O-N 3.4Å; F321-L325 WeakPolarHBondContact O-CB 3.39Å; F321-L325 PolarHBondContact O-N 2.89Å
322	Q	94.1	Very high	90.3	Very high	64 Å²	64	82.1 Å²	82.1	30%	0.299	39%	0.39	S	S	.	.	H	α-helix	trans	-62.6	-44.3	176.5	-69.1	174.9	-16.9	0	0	111.8	V291 N316 L318 L319 L325 R326	V291-Q322 HydrophobicContact CG1-CB 3.8Å; N316-Q322 PolarHBondContact ND2-OE1 2.78Å; L318-Q322 WeakPolarHBondContact O-CG 3.41Å; L318-Q322 PolarHBondContact O-N 3.15Å; L319-Q322 PolarHBondContact O-N 3.09Å; Q322-L325 PolarHBondContact O-N 3.21Å; Q322-R326 PolarHBondContact O-N 2.9Å
323	L	94.3	Very high	90.2	Very high	1 Å²	1	85.6 Å²	85.6	1%	0.005	41%	0.406	C	S	.	.	H	α-helix	trans	-60.5	-46.5	175.5	-78.3	170.2	0	0	0	111.5	L72 L76 L288 V291 L319 R326 S327	L72-L323 HydrophobicContact CB-CD1 3.7Å; L72-L323 HydrophobicContact CD1-CD1 4.17Å; L76-L323 HydrophobicContact CD1-CB 3.74Å; L288-L323 HydrophobicContact CB-CD2 4.25Å; L288-L323 WeakPolarHBondContact O-CD2 3.4Å; V291-L323 HydrophobicContact CB-CD2 3.81Å; V291-L323 HydrophobicContact CB-CG 4.47Å; V291-L323 HydrophobicContact CG1-CD2 4.2Å; V291-L323 HydrophobicContact CG1-CG 4.33Å; V291-L323 HydrophobicContact CG2-CD2 4.08Å; L319-L323 HydrophobicContact CD1-CD1 4.13Å; L319-L323 HydrophobicContact CD1-CG 4.06Å; L319-L323 HydrophobicContact CD2-CD1 4.5Å; L319-L323 HydrophobicContact CG-CD1 3.93Å; L319-L323 HydrophobicContact CG-CG 4.33Å; L319-L323 WeakPolarHBondContact O-CB 3.47Å; L319-L323 WeakPolarHBondContact O-CG 3.37Å; L319-L323 PolarHBondContact O-N 2.77Å; L323-R326 PolarHBondContact O-N 3.18Å; L323-S327 VanDerWaalsContact O-CB 3.31Å; L323-S327 WeakPolarHBondContact O-CB 3.24Å; L323-S327 PolarHBondContact O-N 2.71Å
324	Y	93.6	Very high	90.4	Very high	145 Å²	145	84.3 Å²	84.3	57%	0.569	40%	0.397	S	S	*	.	H	α-helix	trans	-60.5	-46.8	177	179.2	-103	0	0	0	111.8	L76 P320 F321 R326 S327 W328	L76-Y324 HydrophobicContact CD2-CD2 4.25Å; P320-Y324 WeakPolarHBondContact O-CB 3.46Å; P320-Y324 PolarHBondContact O-N 3.31Å; F321-Y324 PolarHBondContact O-N 3.4Å; Y324-R326 VanDerWaalsContact C-N 3.35Å; Y324-R326 PolarHBondContact O-N 2.94Å; Y324-S327 PolarHBondContact O-N 3.47Å; Y324-W328 WeakPolarHBondContact O-CB 3.43Å; Y324-W328 PolarHBondContact O-N 2.78Å
325	L	93.9	Very high	90.6	Very high	62 Å²	62	82.7 Å²	82.7	33%	0.325	39%	0.386	S	S	.	.	H	α-helix	trans	-61.3	-41.8	178.4	-175.5	67.6	0	0	0	111.9	F321 Q322 W328 K329	F321-L325 WeakPolarHBondContact O-CB 3.39Å; F321-L325 PolarHBondContact O-N 2.89Å; Q322-L325 PolarHBondContact O-N 3.21Å; L325-W328 HydrophobicContact CD1-CE3 4.19Å; L325-W328 PolarHBondContact O-N 3.21Å; L325-K329 WeakPolarHBondContact O-CG 3.4Å; L325-K329 PolarHBondContact O-N 3.4Å
326	R	92.1	Very high	90.8	Very high	66 Å²	66	78.4 Å²	78.4	25%	0.249	37%	0.373	C	S	.	.	H	α-helix	trans	-71.6	-38.7	178.2	-99.3	-55.3	-168.6	119	-15.9	113.2	V291 Q322 L323 Y324 W328 K329 K330 T331 Y332	V291-R326 HydrophobicContact CG2-CB 3.7Å; V291-R326 HydrophobicContact CG2-CG 3.76Å; Q322-R326 PolarHBondContact O-N 2.9Å; L323-R326 PolarHBondContact O-N 3.18Å; Y324-R326 VanDerWaalsContact C-N 3.35Å; Y324-R326 PolarHBondContact O-N 2.94Å; R326-W328 VanDerWaalsContact C-N 3.31Å; R326-W328 PolarHBondContact O-N 3.44Å; R326-K329 PolarHBondContact O-N 3.3Å; R326-K330 PolarHBondContact O-N 3.24Å; R326-T331 WeakPolarHBondContact CD-O 3.49Å; R326-T331 WeakPolarHBondContact CD-OG1 3.48Å; R326-T331 VanDerWaalsContact CZ-CB 3.42Å; R326-T331 PolarHBondContact NE-OG1 3.37Å; R326-T331 VanDerWaalsContact NE-OG1 3.15Å; R326-T331 PolarHBondContact NH1-O 2.72Å; R326-T331 PolarHBondContact NH1-OG1 2.55Å; R326-Y332 PolarHBondContact NH1-O 3.28Å
327	S	90.9	Very high	90.9	Very high	36 Å²	36	81.6 Å²	81.6	25%	0.252	39%	0.388	S	S	.	.	H	α-helix	trans	-57.2	-45.8	171.7	178	0	0	0	0	111.1	L323 Y324 K329 K330	L323-S327 VanDerWaalsContact O-CB 3.31Å; L323-S327 WeakPolarHBondContact O-CB 3.24Å; L323-S327 PolarHBondContact O-N 2.71Å; Y324-S327 PolarHBondContact O-N 3.47Å; S327-K329 PolarHBondContact O-N 3.03Å; S327-K330 PolarHBondContact O-N 3.3Å
328	W	89.6	Confident	90.9	Very high	181 Å²	181	79.5 Å²	79.5	69%	0.686	37%	0.365	S	S	*	.	H	α-helix	trans	-63.7	-41	176.7	179.7	65.4	0	0	0	113.1	Y324 L325 R326 K330	Y324-W328 WeakPolarHBondContact O-CB 3.43Å; Y324-W328 PolarHBondContact O-N 2.78Å; L325-W328 HydrophobicContact CD1-CE3 4.19Å; L325-W328 PolarHBondContact O-N 3.21Å; R326-W328 VanDerWaalsContact C-N 3.31Å; R326-W328 PolarHBondContact O-N 3.44Å; W328-K330 PolarHBondContact O-N 2.96Å
329	K	88.5	Confident	90.7	Very high	117 Å²	117	77.4 Å²	77.4	51%	0.509	35%	0.35	S	S	.	.	H	α-helix	trans	-73.9	-7.2	177.1	-72.3	-175.9	177.6	-173.8	0	114.3	L325 R326 S327 T331	L325-K329 WeakPolarHBondContact O-CG 3.4Å; L325-K329 PolarHBondContact O-N 3.4Å; R326-K329 PolarHBondContact O-N 3.3Å; S327-K329 PolarHBondContact O-N 3.03Å; K329-T331 VanDerWaalsContact C-N 3.27Å; K329-T331 PolarHBondContact O-N 3.09Å
330	K	84.3	Confident	90.5	Very high	145 Å²	145	82.8 Å²	82.8	63%	0.63	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	46.7	-177.3	-58.3	-175.1	-179	-178.8	0	113.4	R326 S327 W328	R326-K330 PolarHBondContact O-N 3.24Å; S327-K330 PolarHBondContact O-N 3.3Å; W328-K330 PolarHBondContact O-N 2.96Å
331	T	84.2	Confident	90.2	Very high	56 Å²	56	85.2 Å²	85.2	34%	0.344	38%	0.376	S	S	.	.			trans	-127.5	150.6	176.9	42.5	0	0	0	0	108.8	R326 K329	R326-T331 WeakPolarHBondContact CD-O 3.49Å; R326-T331 WeakPolarHBondContact CD-OG1 3.48Å; R326-T331 VanDerWaalsContact CZ-CB 3.42Å; R326-T331 PolarHBondContact NE-OG1 3.37Å; R326-T331 VanDerWaalsContact NE-OG1 3.15Å; R326-T331 PolarHBondContact NH1-O 2.72Å; R326-T331 PolarHBondContact NH1-OG1 2.55Å; K329-T331 VanDerWaalsContact C-N 3.27Å; K329-T331 PolarHBondContact O-N 3.09Å
332	Y	82.4	Confident	89.8	Confident	15 Å²	15	80.7 Å²	80.7	6%	0.059	36%	0.357	C	S	.	.			trans	-123.3	0	166.5	67.4	-84.9	0	0	0	112.2	A202 I206 A272 R273 V279 T284 F287 T290 R326	A202-Y332 HydrophobicContact CB-CE2 4.25Å; I206-Y332 HydrophobicContact CD1-CD2 3.76Å; I206-Y332 HydrophobicContact CD1-CE2 3.89Å; A272-Y332 HydrophobicContact CB-CE2 4.45Å; A272-Y332 WeakPolarHBondContact O-CE2 3.35Å; A272-Y332 PolarHBondContact O-OH 3.05Å; R273-Y332 PolarHBondContact NE-OXT 3.11Å; R273-Y332 PolarHBondContact NH2-OXT 2.98Å; V279-Y332 HydrophobicContact CB-CE1 4.22Å; V279-Y332 HydrophobicContact CG1-CE1 3.98Å; V279-Y332 HydrophobicContact CG2-CE1 4.46Å; V279-Y332 VanDerWaalsContact CG2-OH 3.3Å; V279-Y332 WeakPolarHBondContact CG2-OH 3.06Å; T284-Y332 HydrophobicContact CG2-CD1 4.31Å; F287-Y332 VanDerWaalsContact CB-CB 3.42Å; F287-Y332 HydrophobicContact CB-CD1 4.1Å; F287-Y332 HydrophobicContact CB-CD2 3.85Å; F287-Y332 HydrophobicContact CB-CG 3.51Å; F287-Y332 AromaticContact CD2-CD1 3.63Å; F287-Y332 HydrophobicContact CD2-CD1 3.63Å; F287-Y332 AromaticContact CD2-CD2 3.92Å; F287-Y332 HydrophobicContact CD2-CD2 3.92Å; F287-Y332 AromaticContact CD2-CE1 3.66Å; F287-Y332 HydrophobicContact CD2-CE1 3.66Å; F287-Y332 AromaticContact CD2-CE2 3.95Å; F287-Y332 HydrophobicContact CD2-CE2 3.95Å; F287-Y332 AromaticContact CD2-CG 3.75Å; F287-Y332 HydrophobicContact CD2-CG 3.75Å; F287-Y332 AromaticContact CD2-CZ 3.83Å; F287-Y332 HydrophobicContact CE2-CE1 4.21Å; F287-Y332 HydrophobicContact CG-CD1 4.35Å; F287-Y332 HydrophobicContact CG-CD2 4.16Å; F287-Y332 HydrophobicContact CG-CG 4.06Å; T290-Y332 WeakPolarHBondContact CB-OXT 3.46Å; T290-Y332 HydrophobicContact CG2-CD2 4.28Å; T290-Y332 PolarHBondContact OG1-OXT 3.19Å; T290-Y332 VanDerWaalsContact OG1-OXT 3.07Å; R326-Y332 PolarHBondContact NH1-O 3.28Å

Retrieved 332 of 332 residues in 189.9 ms (Link to these results)

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