A0A087XD70_POEFO Loading...

Pre-mRNA-processing factor 39

Involved in pre-mRNA splicing.

AlphaFold DB , UniProt , Accession A0A087XD70, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 768 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	30.7	Very low	29.7	Very low	223 Å²	223	154.1 Å²	154.1	100%	1.099	86%	0.864	S	S	*	*				0	92.6	0	-70.6	-165.6	-166.1	0	0	109.5	D3	M1-D3 WeakPolarHBondContact CA-OD2 3.32Å; M1-D3 PolarHBondContact N-OD2 3.3Å
2	L	31.7	Very low	29.6	Very low	159 Å²	159	154.8 Å²	154.8	83%	0.832	86%	0.864	S	S	*	*			cis	-131.9	129.4	-13.7	-69.3	160.1	0	0	0	104.9
3	D	32.5	Very low	29.2	Very low	128 Å²	128	148.2 Å²	148.2	68%	0.684	85%	0.853	S	S	*	*				69.5	88.5	56	-54.9	-52.9	0	0	0	112.7	M1	M1-D3 WeakPolarHBondContact CA-OD2 3.32Å; M1-D3 PolarHBondContact N-OD2 3.3Å
4	T	32.6	Very low	29	Very low	146 Å²	146	149.6 Å²	149.6	90%	0.896	86%	0.856	S	S	*	*			trans	-149.1	132.5	152.3	39.5	0	0	0	0	109.6
5	E	31.7	Very low	28.8	Very low	183 Å²	183	152 Å²	152	86%	0.855	86%	0.857	S	S	*	*			trans	-104.4	158.3	-176.6	-66.5	-178.5	102.1	0	0	113.5
6	S	29.3	Very low	28.6	Very low	105 Å²	105	149.4 Å²	149.4	73%	0.734	85%	0.852	S	S	*	*			trans	34.6	136.2	138.9	-57.9	0	0	0	0	122
7	T	26.1	Very low	28.7	Very low	150 Å²	150	150.8 Å²	150.8	92%	0.92	86%	0.855	S	S	*	*				-148.3	126.6	128.9	-14.6	0	0	0	0	111.2
8	A	29.8	Very low	28.7	Very low	98 Å²	98	148.7 Å²	148.7	81%	0.81	85%	0.848	S	S	*	*			trans	-111.9	156.2	163.7	0	0	0	0	0	108.2
9	M	27.2	Very low	28.6	Very low	191 Å²	191	148.5 Å²	148.5	94%	0.941	85%	0.845	S	S	*	*			trans	-149.9	119.8	178.7	-153.7	171.8	-166.9	0	0	112.2
10	E	29	Very low	28.5	Very low	194 Å²	194	148.3 Å²	148.3	91%	0.907	84%	0.84	S	S	*	*			trans	-101.6	151.9	167.9	-62.4	-179.4	125.6	0	0	110.1
11	S	26.3	Very low	28.6	Very low	118 Å²	118	146.8 Å²	146.8	83%	0.825	84%	0.836	S	S	*	*			trans	-157.5	138.4	155.9	-176.1	0	0	0	0	112.1
12	N	27.8	Very low	28.4	Very low	162 Å²	162	140.7 Å²	140.7	87%	0.866	82%	0.821	S	S	*	*			trans	-70.6	166.7	171.8	-58.3	-65.5	0	0	0	111.7
13	G	25.5	Very low	28	Very low	70 Å²	70	142.8 Å²	142.8	72%	0.722	83%	0.827	S	S	*	*			cis	158.5	-177.1	-3.8	0	0	0	0	0	112.6
14	N	26.3	Very low	27.7	Very low	168 Å²	168	141.7 Å²	141.7	90%	0.898	84%	0.835	S	S	*	*			trans	61.9	120.8	176.1	-84.8	5.7	0	0	0	119.7
15	E	24.8	Very low	27.3	Very low	185 Å²	185	139.8 Å²	139.8	86%	0.864	83%	0.834	S	S	*	*				-166.8	134.2	109.7	-108.9	-175.5	174.4	0	0	114.6
16	S	26.7	Very low	26.8	Very low	111 Å²	111	137.4 Å²	137.4	78%	0.776	83%	0.828	S	S	*	*			trans	41.6	117.6	145.5	-53.4	0	0	0	0	123.7
17	L	29.1	Very low	26.7	Very low	172 Å²	172	142.9 Å²	142.9	90%	0.901	83%	0.832	S	S	*	*			trans	-91.8	161.8	157.7	-83.4	164.5	0	0	0	112.2
18	P	29.7	Very low	26.5	Very low	114 Å²	114	141.7 Å²	141.7	74%	0.74	83%	0.83	S	S	*	*			trans	-115.7	127.9	154.7	34.5	-23.3	0	0	0	114.1
19	D	25.9	Very low	26.4	Very low	145 Å²	145	144.8 Å²	144.8	78%	0.775	83%	0.832	S	S	*	*			trans	-4.4	153.4	139.7	-73.6	-8.8	0	0	0	119
20	L	26.8	Very low	26.3	Very low	144 Å²	144	143.3 Å²	143.3	75%	0.754	82%	0.823	S	S	*	*			cis	-175.2	-174.2	3.5	-105.2	168.5	0	0	0	106.4
21	P	30.9	Very low	26.1	Very low	116 Å²	116	142.3 Å²	142.3	75%	0.753	82%	0.818	S	S	*	*			cis	-124	174.5	-16.1	38.1	-22.4	0	0	0	114.2
22	A	25.8	Very low	26.4	Very low	95 Å²	95	143.4 Å²	143.4	79%	0.785	82%	0.82	S	S	*	*			trans	-99.8	154.7	166.5	0	0	0	0	0	112.2
23	Q	24.4	Very low	26.4	Very low	204 Å²	204	141.4 Å²	141.4	95%	0.953	82%	0.815	S	S	*	*			trans	-148.8	142.5	159	-120.9	174.2	11.7	0	0	110.6
24	A	24.9	Very low	26.6	Very low	104 Å²	104	144 Å²	144	86%	0.86	82%	0.82	S	S	*	*			trans	-118.5	150.3	-177.4	0	0	0	0	0	111.1
25	A	25	Very low	26.7	Very low	106 Å²	106	144.8 Å²	144.8	88%	0.876	82%	0.818	S	S	*	*			trans	-152.7	156.6	166.6	0	0	0	0	0	109
26	D	22.2	Very low	26.9	Very low	134 Å²	134	142.1 Å²	142.1	72%	0.717	82%	0.816	S	S	*	*			trans	-140.2	149.3	-163.7	-159	17	0	0	0	111.1
27	W	25.5	Very low	26.7	Very low	219 Å²	219	141.9 Å²	141.9	83%	0.83	82%	0.822	S	S	*	*			trans	37.8	131.4	176.7	-57.3	92.1	0	0	0	121.5
28	S	23.5	Very low	26.7	Very low	125 Å²	125	138.6 Å²	138.6	87%	0.874	82%	0.819	S	S	*	*				-177.5	170.5	110.3	-81	0	0	0	0	113.7
29	L	27.9	Very low	26.4	Very low	164 Å²	164	138.3 Å²	138.3	86%	0.859	82%	0.82	S	S	*	*			trans	-95.6	165	-165.6	-162.6	73.5	0	0	0	114.1
30	E	23.5	Very low	26.5	Very low	160 Å²	160	138.3 Å²	138.3	75%	0.748	83%	0.825	S	S	*	*			trans	117.6	152.2	137.1	-152.5	175.1	-112.7	0	0	118.6
31	Q	25.4	Very low	26.4	Very low	173 Å²	173	135.6 Å²	135.6	81%	0.808	82%	0.823	S	S	*	*			trans	96.7	136.6	165.6	-52.3	-169.9	9	0	0	118.8
32	V	32.3	Very low	26.5	Very low	141 Å²	141	136.3 Å²	136.3	86%	0.855	83%	0.828	S	S	*	*			trans	-133.5	134	-169.3	172.6	0	0	0	0	110.3
33	P	27.3	Very low	26.5	Very low	119 Å²	119	141.3 Å²	141.3	77%	0.773	84%	0.835	S	S	*	*			trans	-106.1	163.6	163.8	1.4	20.8	0	0	0	113.7
34	P	30.2	Very low	26.5	Very low	126 Å²	126	135 Å²	135	82%	0.818	82%	0.824	S	S	*	*			trans	-110.9	177.4	-158.4	41.9	-36.1	0	0	0	116.9
35	Q	28.2	Very low	26.5	Very low	184 Å²	184	135.7 Å²	135.7	86%	0.86	82%	0.823	S	S	*	*			trans	-70	151.5	171.2	-62	174.1	-12.4	0	0	113.4
36	P	28.6	Very low	26.5	Very low	128 Å²	128	138 Å²	138	83%	0.831	82%	0.821	S	S	*	*			trans	-89.8	154.3	162.9	35.8	-32.2	0	0	0	112.6
37	A	24.3	Very low	26.6	Very low	107 Å²	107	136.1 Å²	136.1	88%	0.884	82%	0.817	S	S	*	*			trans	-108.7	167.9	-179.6	0	0	0	0	0	112.8
38	A	27.9	Very low	26.7	Very low	102 Å²	102	131 Å²	131	84%	0.843	82%	0.815	S	S	*	*			trans	-101.9	144.1	-177.1	0	0	0	0	0	113.5
39	S	24.3	Very low	26.9	Very low	109 Å²	109	134 Å²	134	76%	0.762	82%	0.815	S	S	*	*			trans	-161	125.5	160.4	43.2	0	0	0	0	114.2
40	V	27	Very low	26.8	Very low	145 Å²	145	133.3 Å²	133.3	88%	0.879	81%	0.812	S	S	*	*				61.4	130.9	128.4	-175.3	0	0	0	0	120.5
41	A	25.9	Very low	26.8	Very low	87 Å²	87	132.7 Å²	132.7	72%	0.719	81%	0.814	S	S	*	*			trans	-112.6	163.3	170.5	0	0	0	0	0	112.5
42	P	32.8	Very low	27	Very low	131 Å²	131	131.3 Å²	131.3	85%	0.851	81%	0.812	S	S	*	*			trans	-125.7	173.2	155.2	33.4	-17.8	0	0	0	113.8
43	E	25.8	Very low	26.6	Very low	200 Å²	200	131.7 Å²	131.7	94%	0.935	82%	0.815	S	S	*	*			trans	-87.5	162.9	-168.5	-53.1	165.5	121.2	0	0	114.1
44	G	24.9	Very low	26.6	Very low	70 Å²	70	135.1 Å²	135.1	72%	0.722	82%	0.82	S	S	*	*			trans	180	28.5	179.3	0	0	0	0	0	123.2
45	S	24.9	Very low	26.3	Very low	120 Å²	120	138.3 Å²	138.3	84%	0.839	82%	0.824	S	S	*	*			trans	38	123.6	155.8	65.4	0	0	0	0	123.5
46	N	24.1	Very low	26.1	Very low	155 Å²	155	138.8 Å²	138.8	83%	0.829	83%	0.826	S	S	*	*			trans	106.5	146.5	131	-143.2	16.8	0	0	0	121.8
47	S	24.4	Very low	25.9	Very low	93 Å²	93	140.9 Å²	140.9	65%	0.65	83%	0.825	S	S	*	*			trans	61.2	107.4	166.5	53.4	0	0	0	0	122.2
48	S	27.5	Very low	25.9	Very low	111 Å²	111	142 Å²	142	78%	0.776	82%	0.824	S	S	*	*				39.1	119	128.9	-45.4	0	0	0	0	122.1
49	Q	27.1	Very low	25.7	Very low	188 Å²	188	141.4 Å²	141.4	88%	0.879	81%	0.813	S	S	*	*				-169.7	175.2	109.7	-104.1	-176.1	-64.3	0	0	111.9
50	D	25.9	Very low	26.2	Very low	150 Å²	150	145.4 Å²	145.4	80%	0.802	82%	0.82	S	S	*	*			trans	-80.8	162.5	-166.3	-53.1	-91.3	0	0	0	116.6
51	D	25.1	Very low	26.3	Very low	147 Å²	147	146.4 Å²	146.4	79%	0.786	82%	0.815	S	S	*	*			trans	88.8	150.8	149	-140.9	-3.4	0	0	0	120.7
52	L	28.5	Very low	26.7	Very low	144 Å²	144	145.6 Å²	145.6	75%	0.754	80%	0.801	S	S	*	*			trans	57.1	86.6	167.9	-56.6	-179.7	0	0	0	119.5
53	T	24.8	Very low	27.2	Very low	149 Å²	149	143.4 Å²	143.4	91%	0.914	78%	0.782	S	S	*	*				-169.3	133.1	119.1	12.7	0	0	0	0	112
54	Q	26.6	Very low	28	Very low	191 Å²	191	139 Å²	139	89%	0.893	77%	0.774	S	S	*	*			trans	-97.5	127.7	163.1	-78.1	-178.8	-36.3	0	0	109
55	E	24.4	Very low	29.2	Very low	194 Å²	194	139.7 Å²	139.7	91%	0.907	77%	0.767	S	S	*	*			trans	-70.8	128.5	169.4	-70	-173.7	110.8	0	0	110.3	Q57	E55-Q57 PolarHBondContact O-N 2.74Å
56	Q	24.2	Very low	30.2	Very low	193 Å²	193	137.4 Å²	137.4	90%	0.902	74%	0.743	S	S	*	*			trans	-78.3	104.6	178	-71	179.6	-33.2	0	0	110.8
57	Q	24	Very low	31.5	Very low	172 Å²	172	132.5 Å²	132.5	80%	0.804	72%	0.717	S	S	*	*			trans	-70.9	142.9	150.3	-66.3	-176.4	-1	0	0	108.8	E55 S59	E55-Q57 PolarHBondContact O-N 2.74Å; Q57-S59 PolarHBondContact O-N 2.78Å
58	P	23.9	Very low	32.9	Very low	132 Å²	132	129.1 Å²	129.1	86%	0.857	70%	0.697	S	S	*	*			trans	-70.1	96.2	177.6	28.7	-33.8	0	0	0	109.8	Q60	P58-Q60 PolarHBondContact O-N 3.32Å
59	S	24.6	Very low	34.4	Very low	89 Å²	89	125.8 Å²	125.8	62%	0.622	67%	0.674	S	S	*	*			trans	-75.8	115.8	-178.6	47.8	0	0	0	0	111.2	Q57 Q61	Q57-S59 PolarHBondContact O-N 2.78Å; S59-Q61 VanDerWaalsContact C-N 3.29Å; S59-Q61 PolarHBondContact O-N 3.45Å
60	Q	34.3	Very low	36	Very low	192 Å²	192	116.9 Å²	116.9	90%	0.897	63%	0.632	S	S	*	*			trans	-70.9	90.9	158.9	-72.7	-178.6	-56.5	0	0	108.1	P58 T62	P58-Q60 PolarHBondContact O-N 3.32Å; Q60-T62 PolarHBondContact O-N 3.06Å
61	Q	28.3	Very low	37.5	Very low	167 Å²	167	114 Å²	114	78%	0.78	61%	0.614	S	S	*	*			trans	-84.2	84.4	167.1	-69.2	-172.6	-50.8	0	0	109.3	S59	S59-Q61 VanDerWaalsContact C-N 3.29Å; S59-Q61 PolarHBondContact O-N 3.45Å
62	T	35.6	Very low	39.3	Very low	69 Å²	69	113.6 Å²	113.6	42%	0.423	61%	0.605	S	S	.	*			trans	-68.9	136.3	151.7	42.4	0	0	0	0	107.8	Q60	Q60-T62 PolarHBondContact O-N 3.06Å
63	N	41.5	Very low	40.8	Very low	86 Å²	86	107.2 Å²	107.2	46%	0.46	57%	0.573	S	S	.	*			trans	-70.4	141.2	179.4	-72.6	-64.5	0	0	0	109.9	S65 E66 L67	N63-S65 WeakPolarHBondContact CB-OG 2.92Å; N63-S65 PolarHBondContact O-N 3.35Å; N63-S65 VanDerWaalsContact O-N 3.15Å; N63-E66 HydrophobicContact CB-CB 4.37Å; N63-E66 HydrophobicContact CB-CG 4.02Å; N63-E66 PolarHBondContact N-OE2 3.44Å; N63-E66 PolarHBondContact ND2-OE1 3.17Å; N63-E66 WeakPolarHBondContact O-CB 3.33Å; N63-E66 PolarHBondContact O-N 3.47Å; N63-L67 PolarHBondContact O-N 3.43Å; N63-L67 VanDerWaalsContact O-N 3.09Å
64	S	43.3	Very low	42.5	Very low	107 Å²	107	100.6 Å²	100.6	75%	0.748	53%	0.532	S	S	*	.	H	α-helix	trans	-60.6	-24.1	173.7	52.1	0	0	0	0	112.8	G68	S64-G68 PolarHBondContact O-N 2.85Å
65	S	50.5	Low	44.1	Very low	84 Å²	84	96.7 Å²	96.7	59%	0.587	51%	0.514	S	S	*	.	H	α-helix	trans	-70.8	-37.1	169.6	53.9	0	0	0	0	113.4	N63 S69	N63-S65 WeakPolarHBondContact CB-OG 2.92Å; N63-S65 PolarHBondContact O-N 3.35Å; N63-S65 VanDerWaalsContact O-N 3.15Å; S65-S69 VanDerWaalsContact O-CB 3.28Å; S65-S69 WeakPolarHBondContact O-CB 3.3Å; S65-S69 PolarHBondContact O-N 3.38Å; S65-S69 VanDerWaalsContact O-N 3.14Å
66	E	46	Very low	45.8	Very low	73 Å²	73	92.2 Å²	92.2	34%	0.341	49%	0.493	S	S	.	.	H	α-helix	trans	-71.8	-42.2	179.2	-70.6	152	-164	0	0	111.3	N63 S69 V70	N63-E66 HydrophobicContact CB-CB 4.37Å; N63-E66 HydrophobicContact CB-CG 4.02Å; N63-E66 PolarHBondContact N-OE2 3.44Å; N63-E66 PolarHBondContact ND2-OE1 3.17Å; N63-E66 WeakPolarHBondContact O-CB 3.33Å; N63-E66 PolarHBondContact O-N 3.47Å; E66-S69 WeakPolarHBondContact O-CA 3.37Å; E66-S69 WeakPolarHBondContact O-CB 3.47Å; E66-S69 PolarHBondContact O-N 2.68Å; E66-V70 PolarHBondContact O-N 2.92Å
67	L	50.1	Low	47.4	Very low	51 Å²	51	84.6 Å²	84.6	27%	0.267	46%	0.457	S	S	.	.	H	α-helix	trans	-55.1	-56.1	173.2	-72.5	165.6	0	0	0	110.8	N63 S69 V70 E71 F487	N63-L67 PolarHBondContact O-N 3.43Å; N63-L67 VanDerWaalsContact O-N 3.09Å; L67-S69 PolarHBondContact O-N 2.68Å; L67-V70 PolarHBondContact O-N 2.96Å; L67-E71 WeakPolarHBondContact O-CG 3.49Å; L67-E71 PolarHBondContact O-N 2.84Å; L67-F487 HydrophobicContact CD2-CD1 3.98Å
68	G	54.9	Low	49	Very low	23 Å²	23	80.2 Å²	80.2	24%	0.237	44%	0.436	C	S	.	.	H	α-helix	trans	-69.4	1.9	175.8	0	0	0	0	0	115.1	S64 K72	S64-G68 PolarHBondContact O-N 2.85Å; G68-K72 WeakPolarHBondContact O-CD 3.37Å; G68-K72 WeakPolarHBondContact O-CE 3.26Å; G68-K72 WeakPolarHBondContact O-CG 3.2Å
69	S	59.5	Low	50.2	Low	41 Å²	41	78.2 Å²	78.2	29%	0.287	42%	0.418	S	S	.	.	H	α-helix	trans	-101.8	-40.9	172.6	-148.2	0	0	0	0	111.2	S65 E66 L67 K72 A73 E457	S65-S69 VanDerWaalsContact O-CB 3.28Å; S65-S69 WeakPolarHBondContact O-CB 3.3Å; S65-S69 PolarHBondContact O-N 3.38Å; S65-S69 VanDerWaalsContact O-N 3.14Å; E66-S69 WeakPolarHBondContact O-CA 3.37Å; E66-S69 WeakPolarHBondContact O-CB 3.47Å; E66-S69 PolarHBondContact O-N 2.68Å; L67-S69 PolarHBondContact O-N 2.68Å; S69-K72 CarbonylContact O-C 3.55Å; S69-K72 PolarHBondContact O-N 3.1Å; S69-A73 WeakPolarHBondContact O-CB 3.44Å; S69-A73 PolarHBondContact O-N 3.24Å; S69-E457 WeakPolarHBondContact CB-OE1 3.44Å; S69-E457 PolarHBondContact OG-OE1 3.42Å
70	V	59.4	Low	51.3	Low	0 Å²	0	74.7 Å²	74.7	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-64.3	-43.7	167.8	176	0	0	0	0	111.6	E66 L67 K72 A73 V74 P456 V460 L484 F487	E66-V70 PolarHBondContact O-N 2.92Å; L67-V70 PolarHBondContact O-N 2.96Å; V70-K72 VanDerWaalsContact C-N 3.27Å; V70-K72 PolarHBondContact O-N 2.85Å; V70-A73 WeakPolarHBondContact O-CB 3.29Å; V70-A73 PolarHBondContact O-N 3.3Å; V70-V74 HydrophobicContact CG1-CG2 4.09Å; V70-V74 WeakPolarHBondContact O-CB 3.3Å; V70-V74 WeakPolarHBondContact O-CG2 3.5Å; V70-V74 PolarHBondContact O-N 3.14Å; V70-P456 HydrophobicContact CB-CB 4.46Å; V70-P456 HydrophobicContact CG2-CB 3.14Å; V70-P456 HydrophobicContact CG2-CG 4.15Å; V70-V460 HydrophobicContact CG1-CG2 4.39Å; V70-L484 HydrophobicContact CG1-CD2 4.03Å; V70-F487 HydrophobicContact CB-CB 3.76Å; V70-F487 HydrophobicContact CB-CD1 3.79Å; V70-F487 HydrophobicContact CB-CD2 4.49Å; V70-F487 HydrophobicContact CB-CG 3.79Å; V70-F487 HydrophobicContact CG1-CB 3.5Å; V70-F487 HydrophobicContact CG1-CD1 4.33Å; V70-F487 HydrophobicContact CG1-CD2 4.22Å; V70-F487 HydrophobicContact CG1-CG 3.8Å; V70-F487 HydrophobicContact CG2-CB 4.19Å; V70-F487 HydrophobicContact CG2-CD1 3.41Å; V70-F487 VanDerWaalsContact CG2-CD1 3.41Å; V70-F487 HydrophobicContact CG2-CD2 4.04Å; V70-F487 HydrophobicContact CG2-CE1 3.66Å; V70-F487 HydrophobicContact CG2-CE2 4.27Å; V70-F487 HydrophobicContact CG2-CG 3.62Å; V70-F487 HydrophobicContact CG2-CZ 4.09Å
71	E	58.5	Low	51.8	Low	90 Å²	90	66.4 Å²	66.4	42%	0.421	36%	0.357	S	S	.	.	H	α-helix	trans	-57.7	-45.6	175.9	-71.8	-178.4	138.1	0	0	109.8	L67 A73 V74 E75	L67-E71 WeakPolarHBondContact O-CG 3.49Å; L67-E71 PolarHBondContact O-N 2.84Å; E71-A73 PolarHBondContact O-N 3.13Å; E71-V74 PolarHBondContact O-N 2.85Å; E71-E75 WeakPolarHBondContact O-CB 3.47Å; E71-E75 VanDerWaalsContact O-CG 3.26Å; E71-E75 WeakPolarHBondContact O-CG 3.48Å; E71-E75 PolarHBondContact O-N 2.9Å
72	K	62.4	Low	52.2	Low	139 Å²	139	60.8 Å²	60.8	60%	0.604	34%	0.34	S	S	*	.	H	α-helix	trans	-64.8	-32.4	172.3	-75.6	176.5	-167.2	166.8	0	114.4	G68 S69 V70 Q76	G68-K72 WeakPolarHBondContact O-CD 3.37Å; G68-K72 WeakPolarHBondContact O-CE 3.26Å; G68-K72 WeakPolarHBondContact O-CG 3.2Å; S69-K72 CarbonylContact O-C 3.55Å; S69-K72 PolarHBondContact O-N 3.1Å; V70-K72 VanDerWaalsContact C-N 3.27Å; V70-K72 PolarHBondContact O-N 2.85Å; K72-Q76 WeakPolarHBondContact O-CA 3.42Å; K72-Q76 WeakPolarHBondContact O-CB 3.03Å; K72-Q76 PolarHBondContact O-N 2.95Å
73	A	60.4	Low	52.3	Low	9 Å²	9	60 Å²	60	7%	0.074	34%	0.337	C	S	.	.	H	α-helix	trans	-67.4	-46.3	176.1	0	0	0	0	0	111.4	S69 V70 E71 F77 E457 V460	S69-A73 WeakPolarHBondContact O-CB 3.44Å; S69-A73 PolarHBondContact O-N 3.24Å; V70-A73 WeakPolarHBondContact O-CB 3.29Å; V70-A73 PolarHBondContact O-N 3.3Å; E71-A73 PolarHBondContact O-N 3.13Å; A73-F77 VanDerWaalsContact O-CB 3.3Å; A73-F77 WeakPolarHBondContact O-CB 3.46Å; A73-F77 PolarHBondContact O-N 2.74Å; A73-E457 HydrophobicContact CB-CB 3.91Å; A73-E457 HydrophobicContact CB-CG 3.94Å; A73-V460 HydrophobicContact CB-CB 4.33Å; A73-V460 HydrophobicContact CB-CG1 4.45Å; A73-V460 HydrophobicContact CB-CG2 4.33Å
74	V	60.3	Low	52.5	Low	10 Å²	10	56.9 Å²	56.9	6%	0.061	32%	0.32	C	S	.	.	H	α-helix	trans	-70.5	-42.2	179.8	174.4	0	0	0	0	110.3	V70 E71 F77 Q78 V460 L484	V70-V74 HydrophobicContact CG1-CG2 4.09Å; V70-V74 WeakPolarHBondContact O-CB 3.3Å; V70-V74 WeakPolarHBondContact O-CG2 3.5Å; V70-V74 PolarHBondContact O-N 3.14Å; E71-V74 PolarHBondContact O-N 2.85Å; V74-F77 PolarHBondContact O-N 2.87Å; V74-Q78 VanDerWaalsContact CG1-NE2 3.29Å; V74-Q78 WeakPolarHBondContact O-CB 3.35Å; V74-Q78 VanDerWaalsContact O-CG 3.24Å; V74-Q78 WeakPolarHBondContact O-CG 3.5Å; V74-Q78 PolarHBondContact O-N 2.83Å; V74-V460 HydrophobicContact CG2-CG1 4.26Å; V74-V460 HydrophobicContact CG2-CG2 4.16Å; V74-L484 HydrophobicContact CG2-CD2 3.94Å
75	E	60	Low	52.7	Low	110 Å²	110	54.3 Å²	54.3	51%	0.514	30%	0.296	S	S	.	.	H	α-helix	trans	-63.1	-48.6	170.7	-75.6	-176.5	163.5	0	0	111.2	E71 F77 Q78 L79	E71-E75 WeakPolarHBondContact O-CB 3.47Å; E71-E75 VanDerWaalsContact O-CG 3.26Å; E71-E75 WeakPolarHBondContact O-CG 3.48Å; E71-E75 PolarHBondContact O-N 2.9Å; E75-F77 PolarHBondContact O-N 3.46Å; E75-Q78 CarbonylContact O-C 3.37Å; E75-Q78 PolarHBondContact O-N 3.11Å; E75-Q78 VanDerWaalsContact O-N 3.16Å; E75-L79 HydrophobicContact CB-CD1 4.26Å; E75-L79 WeakPolarHBondContact O-CA 3.45Å; E75-L79 WeakPolarHBondContact O-CB 3.46Å; E75-L79 WeakPolarHBondContact O-CG 3.43Å; E75-L79 PolarHBondContact O-N 2.69Å
76	Q	59.9	Low	52	Low	100 Å²	100	58.8 Å²	58.8	47%	0.467	31%	0.308	S	S	.	.	H	α-helix	trans	-60.3	-34.4	177.9	179.6	175.8	-17.7	0	0	111.6	K72 A80	K72-Q76 WeakPolarHBondContact O-CA 3.42Å; K72-Q76 WeakPolarHBondContact O-CB 3.03Å; K72-Q76 PolarHBondContact O-N 2.95Å; Q76-A80 WeakPolarHBondContact O-CB 3.28Å; Q76-A80 PolarHBondContact O-N 3.25Å
77	F	58.3	Low	51.4	Low	33 Å²	33	62.2 Å²	62.2	15%	0.145	32%	0.324	C	S	.	.	H	α-helix	trans	-71.7	-43.2	174.8	-172.4	-109.6	0	0	0	112.6	A73 V74 E75 S81 P242 L243 E464	A73-F77 VanDerWaalsContact O-CB 3.3Å; A73-F77 WeakPolarHBondContact O-CB 3.46Å; A73-F77 PolarHBondContact O-N 2.74Å; V74-F77 PolarHBondContact O-N 2.87Å; E75-F77 PolarHBondContact O-N 3.46Å; F77-S81 WeakPolarHBondContact O-CB 3.42Å; F77-S81 PolarHBondContact O-N 2.97Å; F77-S81 VanDerWaalsContact O-N 3.14Å; F77-S81 PolarHBondContact O-OG 3.2Å; F77-P242 HydrophobicContact CE1-CG 4.35Å; F77-P242 HydrophobicContact CE2-CB 4.3Å; F77-P242 HydrophobicContact CE2-CG 3.56Å; F77-P242 HydrophobicContact CZ-CG 3.45Å; F77-P242 VanDerWaalsContact CZ-CG 3.45Å; F77-L243 HydrophobicContact CE2-CD1 3.51Å; F77-L243 HydrophobicContact CE2-CG 4.06Å; F77-L243 HydrophobicContact CZ-CD1 3.58Å; F77-E464 HydrophobicContact CD1-CG 4.32Å; F77-E464 HydrophobicContact CE1-CG 3.72Å; F77-E464 HydrophobicContact CE2-CG 4.38Å; F77-E464 HydrophobicContact CZ-CB 4.06Å; F77-E464 HydrophobicContact CZ-CG 3.75Å
78	Q	56.8	Low	50.5	Low	79 Å²	79	69.3 Å²	69.3	37%	0.369	36%	0.355	S	S	.	.	H	α-helix	trans	-67.4	-38	175.3	-71	176	23.4	0	0	111.9	V74 E75 S81 A82	V74-Q78 VanDerWaalsContact CG1-NE2 3.29Å; V74-Q78 WeakPolarHBondContact O-CB 3.35Å; V74-Q78 VanDerWaalsContact O-CG 3.24Å; V74-Q78 WeakPolarHBondContact O-CG 3.5Å; V74-Q78 PolarHBondContact O-N 2.83Å; E75-Q78 CarbonylContact O-C 3.37Å; E75-Q78 PolarHBondContact O-N 3.11Å; E75-Q78 VanDerWaalsContact O-N 3.16Å; Q78-S81 CarbonylContact O-C 3.58Å; Q78-S81 WeakPolarHBondContact O-CB 3.35Å; Q78-S81 PolarHBondContact O-N 3.23Å; Q78-A82 WeakPolarHBondContact O-CB 3.38Å; Q78-A82 PolarHBondContact O-N 3.03Å
79	L	50.5	Low	49.3	Very low	91 Å²	91	76.5 Å²	76.5	48%	0.476	38%	0.382	S	S	.	.	H	α-helix	trans	-73.1	-38.6	175.4	-69.2	168.9	0	0	0	111.5	E75 S81 A82 S83	E75-L79 HydrophobicContact CB-CD1 4.26Å; E75-L79 WeakPolarHBondContact O-CA 3.45Å; E75-L79 WeakPolarHBondContact O-CB 3.46Å; E75-L79 WeakPolarHBondContact O-CG 3.43Å; E75-L79 PolarHBondContact O-N 2.69Å; L79-S81 PolarHBondContact O-N 2.82Å; L79-A82 PolarHBondContact O-N 3.15Å; L79-S83 WeakPolarHBondContact O-CA 3.4Å; L79-S83 WeakPolarHBondContact O-CB 3.23Å; L79-S83 PolarHBondContact O-N 3.16Å; L79-S83 PolarHBondContact O-OG 2.87Å; L79-S83 VanDerWaalsContact O-OG 3.08Å
80	A	46.4	Very low	48	Very low	14 Å²	14	79.7 Å²	79.7	12%	0.116	40%	0.402	C	S	.	.	H	α-helix	trans	-58.8	-32.2	169.3	0	0	0	0	0	111.3	Q76 L84 A280	Q76-A80 WeakPolarHBondContact O-CB 3.28Å; Q76-A80 PolarHBondContact O-N 3.25Å; A80-L84 WeakPolarHBondContact O-CD1 3.34Å; A80-A280 HydrophobicContact CB-CB 4.25Å
81	S	44.5	Very low	46.8	Very low	18 Å²	18	85.1 Å²	85.1	13%	0.126	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-10.3	176.5	-50	0	0	0	0	114.7	F77 Q78 L79 Q239	F77-S81 WeakPolarHBondContact O-CB 3.42Å; F77-S81 PolarHBondContact O-N 2.97Å; F77-S81 VanDerWaalsContact O-N 3.14Å; F77-S81 PolarHBondContact O-OG 3.2Å; Q78-S81 CarbonylContact O-C 3.58Å; Q78-S81 WeakPolarHBondContact O-CB 3.35Å; Q78-S81 PolarHBondContact O-N 3.23Å; L79-S81 PolarHBondContact O-N 2.82Å; S81-Q239 PolarHBondContact O-NE2 3.18Å
82	A	37.8	Very low	45.9	Very low	50 Å²	50	86.4 Å²	86.4	41%	0.413	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.5	-33.9	-173.4	0	0	0	0	0	114.2	Q78 L79 L84 F85	Q78-A82 WeakPolarHBondContact O-CB 3.38Å; Q78-A82 PolarHBondContact O-N 3.03Å; L79-A82 PolarHBondContact O-N 3.15Å; A82-L84 VanDerWaalsContact C-N 3.3Å; A82-L84 PolarHBondContact O-N 3.05Å; A82-F85 VanDerWaalsContact O-CA 3.23Å; A82-F85 WeakPolarHBondContact O-CA 3.22Å; A82-F85 PolarHBondContact O-N 3.02Å
83	S	37.5	Very low	44.8	Very low	53 Å²	53	85.3 Å²	85.3	37%	0.371	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-72.6	-19.7	178.6	-59	0	0	0	0	113.3	L79 F85 Q86	L79-S83 WeakPolarHBondContact O-CA 3.4Å; L79-S83 WeakPolarHBondContact O-CB 3.23Å; L79-S83 PolarHBondContact O-N 3.16Å; L79-S83 PolarHBondContact O-OG 2.87Å; L79-S83 VanDerWaalsContact O-OG 3.08Å; S83-F85 PolarHBondContact O-N 3.04Å; S83-F85 VanDerWaalsContact O-N 3.1Å; S83-Q86 PolarHBondContact O-N 3.48Å
84	L	44.8	Very low	44.1	Very low	20 Å²	20	90.2 Å²	90.2	11%	0.105	49%	0.492	C	S	.	.	G	3₁₀ helix	trans	-50.5	-25.5	158.3	-85.9	164.5	0	0	0	112.7	A80 A82 R235 W248	A80-L84 WeakPolarHBondContact O-CD1 3.34Å; A82-L84 VanDerWaalsContact C-N 3.3Å; A82-L84 PolarHBondContact O-N 3.05Å; L84-R235 PolarHBondContact O-NH2 3.21Å; L84-W248 HydrophobicContact CD1-CH2 4.02Å; L84-W248 HydrophobicContact CD1-CZ2 4.41Å; L84-W248 HydrophobicContact CD2-CH2 4.05Å; L84-W248 HydrophobicContact CG-CH2 4.43Å
85	F	48.8	Very low	43.4	Very low	52 Å²	52	95.1 Å²	95.1	23%	0.228	52%	0.524	C	S	.	.	G	3₁₀ helix	trans	-79.3	-23.5	-173.8	21.5	-112.2	0	0	0	118.2	A82 S83 E87 R235 Q239	A82-F85 VanDerWaalsContact O-CA 3.23Å; A82-F85 WeakPolarHBondContact O-CA 3.22Å; A82-F85 PolarHBondContact O-N 3.02Å; S83-F85 PolarHBondContact O-N 3.04Å; S83-F85 VanDerWaalsContact O-N 3.1Å; F85-E87 PolarHBondContact O-N 3.47Å; F85-R235 HydrophobicContact CD1-CB 4.35Å; F85-R235 HydrophobicContact CE1-CB 3.48Å; F85-R235 VanDerWaalsContact CE1-CB 3.48Å; F85-R235 HydrophobicContact CE1-CG 3.79Å; F85-R235 HydrophobicContact CZ-CB 4.17Å; F85-R235 WeakPolarHBondContact CZ-O 3.37Å; F85-Q239 HydrophobicContact CE2-CB 4.04Å; F85-Q239 HydrophobicContact CE2-CG 4.38Å; F85-Q239 HydrophobicContact CZ-CB 4.22Å
86	Q	35	Very low	42.7	Very low	179 Å²	179	95.4 Å²	95.4	84%	0.836	54%	0.535	S	S	*	.			trans	-89.2	68.9	-163.1	-71.9	-163.1	-9.5	0	0	114.8	S83	S83-Q86 PolarHBondContact O-N 3.48Å
87	E	32.9	Very low	42	Very low	145 Å²	145	96.1 Å²	96.1	68%	0.678	55%	0.549	S	S	*	.	S	Bend	trans	-112.1	152.7	147.5	-72	-179	141.3	0	0	108.8	F85 H89	F85-E87 PolarHBondContact O-N 3.47Å; E87-H89 PolarHBondContact O-N 2.96Å
88	E	32.3	Very low	41.4	Very low	199 Å²	199	100 Å²	100	93%	0.93	58%	0.577	S	S	*	*			trans	-70.4	105.5	-168.5	-66.3	-169.3	140.1	0	0	113.1	P90	E88-P90 WeakPolarHBondContact O-CD 3.4Å
89	H	29.3	Very low	40.6	Very low	174 Å²	174	101.8 Å²	101.8	81%	0.806	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-65.3	122.7	153.8	-79.5	-62.7	0	0	0	109	E87	E87-H89 PolarHBondContact O-N 2.96Å
90	P	31.9	Very low	39.9	Very low	108 Å²	108	103 Å²	103	70%	0.701	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-60.6	144.7	169.2	26.8	-33.7	0	0	0	109.2	E88	E88-P90 WeakPolarHBondContact O-CD 3.4Å
91	P	35.3	Very low	39.5	Very low	115 Å²	115	107.9 Å²	107.9	75%	0.747	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-59.1	141.7	-175.4	24.2	-34.1	0	0	0	110.7
92	P	38.5	Very low	39	Very low	116 Å²	116	113.6 Å²	113.6	75%	0.753	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-57.6	142	178.3	25.2	-34.2	0	0	0	109.8
93	P	39.6	Very low	38.6	Very low	116 Å²	116	120.4 Å²	120.4	75%	0.753	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-57.2	139.3	179.6	24.5	-33.8	0	0	0	109.6
94	P	44.9	Very low	38.3	Very low	113 Å²	113	125.4 Å²	125.4	73%	0.734	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-58.5	143.3	-178	24.7	-34.1	0	0	0	110.1
95	P	47.1	Very low	37.7	Very low	112 Å²	112	129.7 Å²	129.7	73%	0.727	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-57.5	145	178.6	25.4	-34.3	0	0	0	110
96	P	43.8	Very low	36.7	Very low	117 Å²	117	133.7 Å²	133.7	76%	0.76	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-56.9	139.9	178.7	24.9	-34	0	0	0	109.8
97	P	45.2	Very low	36.5	Very low	115 Å²	115	133 Å²	133	75%	0.747	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-59.3	144.6	-178.7	25.2	-34.1	0	0	0	110.2
98	P	46.1	Very low	36.5	Very low	114 Å²	114	131.9 Å²	131.9	74%	0.74	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-58.6	147.9	176.5	26.3	-34.5	0	0	0	110.1
99	P	41	Very low	36.4	Very low	116 Å²	116	130.4 Å²	130.4	75%	0.753	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-57.4	141.4	177.3	25.5	-34.3	0	0	0	110
100	P	36.1	Very low	36.3	Very low	116 Å²	116	131 Å²	131	75%	0.753	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-60.6	140.1	-176.3	25.1	-34.1	0	0	0	110.5
101	P	36.6	Very low	35.9	Very low	117 Å²	117	135.3 Å²	135.3	76%	0.76	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-62.1	142.6	175	27.9	-34.3	0	0	0	110	E103	P101-E103 PolarHBondContact O-N 2.81Å
102	T	33.9	Very low	35.5	Very low	139 Å²	139	133.9 Å²	133.9	85%	0.853	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-62.2	122.5	175.8	47	0	0	0	0	110.5
103	E	30.8	Very low	34.8	Very low	192 Å²	192	134.9 Å²	134.9	90%	0.897	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-66.9	132.9	174.1	-60.8	-176.8	139	0	0	110.9	P101	P101-E103 PolarHBondContact O-N 2.81Å
104	D	30.3	Very low	34.3	Very low	159 Å²	159	136.9 Å²	136.9	85%	0.85	78%	0.784	S	S	*	*			trans	-119.3	123.6	166.4	-149	-6.4	0	0	0	106.7
105	P	31.8	Very low	33.8	Very low	110 Å²	110	137.4 Å²	137.4	71%	0.714	79%	0.788	S	S	*	*			trans	-100.9	110	-151.9	35.3	-33.7	0	0	0	115
106	D	29.3	Very low	32.8	Very low	135 Å²	135	139 Å²	139	72%	0.722	79%	0.786	S	S	*	*			trans	-153	96.5	165.9	-123.9	-19.9	0	0	0	115.9
107	Q	30.4	Very low	32.5	Very low	166 Å²	166	139.5 Å²	139.5	78%	0.776	79%	0.789	S	S	*	*			trans	69.3	169.9	151.2	-56.3	170.6	53.6	0	0	118.5
108	P	32.7	Very low	31.7	Very low	120 Å²	120	142.7 Å²	142.7	78%	0.779	79%	0.794	S	S	*	*				-129.7	165.8	-69.8	38.5	-23.5	0	0	0	115.3
109	L	29.6	Very low	30.9	Very low	169 Å²	169	141.6 Å²	141.6	89%	0.885	79%	0.794	S	S	*	*			trans	-66.9	148.5	-175.2	-70.9	159.9	0	0	0	116.5
110	Q	26.9	Very low	30	Very low	186 Å²	186	145.1 Å²	145.1	87%	0.869	80%	0.798	S	S	*	*			trans	-157.5	115.2	154.3	-122.2	159.1	80.2	0	0	115
111	F	25	Very low	29.9	Very low	198 Å²	198	145.2 Å²	145.2	87%	0.868	80%	0.796	S	S	*	*			trans	18.5	118	152.1	-66	-90.4	0	0	0	120.2
112	A	25.7	Very low	30.4	Very low	86 Å²	86	145.4 Å²	145.4	71%	0.711	80%	0.798	S	S	*	*				114.2	163	76.2	0	0	0	0	0	109.7
113	T	25.2	Very low	29.9	Very low	136 Å²	136	146.4 Å²	146.4	83%	0.834	80%	0.798	S	S	*	*			cis	-153	157.8	14.5	-34.7	0	0	0	0	109.7
114	E	27.4	Very low	29.7	Very low	158 Å²	158	140.1 Å²	140.1	74%	0.738	79%	0.785	S	S	*	*			trans	-75.3	172.8	165	-58.6	-173.3	117.3	0	0	112.4
115	P	34	Very low	29.7	Very low	125 Å²	125	137.3 Å²	137.3	81%	0.812	78%	0.777	S	S	*	*				-146.6	151.4	90.2	38.6	-22.8	0	0	0	116.9
116	Q	28.2	Very low	29.5	Very low	146 Å²	146	140.7 Å²	140.7	68%	0.682	78%	0.783	S	S	*	*			trans	-83.5	176.6	155.9	-63.9	-169.9	9	0	0	111.8
117	P	36.9	Very low	29.5	Very low	127 Å²	127	141.1 Å²	141.1	83%	0.825	79%	0.786	S	S	*	*				-130.8	154	127	37.2	-29.8	0	0	0	114.5
118	E	27	Very low	29.3	Very low	181 Å²	181	136.8 Å²	136.8	85%	0.846	79%	0.785	S	S	*	*			trans	-96.7	-172.2	-172.3	-50.2	173.1	104.7	0	0	114.9
119	A	29.5	Very low	29	Very low	91 Å²	91	137.3 Å²	137.3	75%	0.752	79%	0.787	S	S	*	*			trans	115.7	139.4	152	0	0	0	0	0	115.7
120	F	23.9	Very low	28.9	Very low	190 Å²	190	138.6 Å²	138.6	83%	0.833	79%	0.788	S	S	*	*			cis	-156.9	175	2.4	-148.3	-118.2	0	0	0	113.7
121	V	32.1	Very low	28.8	Very low	118 Å²	118	134.2 Å²	134.2	72%	0.715	78%	0.784	S	S	*	*			trans	-157.7	179.7	-176.5	-95.7	0	0	0	0	109.1
122	P	47.8	Very low	28.9	Very low	121 Å²	121	130.9 Å²	130.9	79%	0.786	78%	0.78	S	S	*	*			cis	-136.7	178.5	6.6	45.1	-28.9	0	0	0	116.7
123	D	23.3	Very low	29	Very low	161 Å²	161	134.4 Å²	134.4	86%	0.861	78%	0.782	S	S	*	*			trans	-163.2	152.6	137.4	-162.4	40.8	0	0	0	106.7
124	G	26.6	Very low	29.1	Very low	60 Å²	60	133.9 Å²	133.9	62%	0.619	77%	0.771	S	S	*	*			cis	167.3	178.5	-4.1	0	0	0	0	0	108.4
125	S	29.8	Very low	29.1	Very low	100 Å²	100	134.3 Å²	134.3	70%	0.699	77%	0.773	S	S	*	*			cis	-176	107.4	-38.7	-93.8	0	0	0	0	108.9
126	Q	29.1	Very low	28.8	Very low	180 Å²	180	136 Å²	136	84%	0.841	78%	0.776	S	S	*	*			trans	59.8	169.6	156.9	-56.6	178.3	-79.8	0	0	117.8
127	D	28.1	Very low	28.8	Very low	145 Å²	145	131.7 Å²	131.7	78%	0.775	77%	0.771	S	S	*	*			cis	-150.4	170.9	2.2	-147.7	-19.7	0	0	0	110.8
128	G	26.9	Very low	28.4	Very low	74 Å²	74	133.2 Å²	133.2	76%	0.763	77%	0.768	S	S	*	*			trans	159.9	114.9	167	0	0	0	0	0	117.7
129	T	26.6	Very low	28.4	Very low	131 Å²	131	131.6 Å²	131.6	80%	0.804	76%	0.761	S	S	*	*			trans	-112.1	148.6	-177.8	54.7	0	0	0	0	114.1
130	E	26.2	Very low	28.3	Very low	196 Å²	196	134.1 Å²	134.1	92%	0.916	76%	0.761	S	S	*	*				-167.2	165.3	126.9	-113.2	177.9	-177	0	0	112.5
131	A	26.3	Very low	28.5	Very low	95 Å²	95	133.8 Å²	133.8	79%	0.785	76%	0.762	S	S	*	*			trans	-156.2	156.6	-169	0	0	0	0	0	115.1
132	T	26.9	Very low	28.1	Very low	128 Å²	128	137 Å²	137	79%	0.785	77%	0.769	S	S	*	*			trans	-160.2	118.7	164.8	-26.3	0	0	0	0	106
133	Q	27.6	Very low	27.9	Very low	159 Å²	159	136.8 Å²	136.8	74%	0.743	77%	0.768	S	S	*	*				60.1	134.2	67.4	-70.3	-174.4	-17.6	0	0	113.2
134	M	28.1	Very low	28	Very low	126 Å²	126	134 Å²	134	62%	0.621	77%	0.767	S	S	*	*			cis	-160.6	156.9	14.5	-122.5	151.6	166.9	0	0	111.8
135	E	26.9	Very low	28.3	Very low	166 Å²	166	143 Å²	143	78%	0.776	78%	0.782	S	S	*	*			trans	45	147.6	142.1	-68.6	164.1	172.9	0	0	120.8
136	D	26.7	Very low	28.3	Very low	161 Å²	161	146.3 Å²	146.3	86%	0.861	79%	0.792	S	S	*	*			cis	-159.4	-179.8	-3.4	-154.5	26.5	0	0	0	107.3
137	G	27.6	Very low	28.4	Very low	56 Å²	56	140.6 Å²	140.6	58%	0.577	78%	0.782	S	S	*	*			cis	177.5	159.7	2.6	0	0	0	0	0	115
138	M	28.8	Very low	28.5	Very low	158 Å²	158	139.2 Å²	139.2	78%	0.778	78%	0.784	S	S	*	*			trans	45.5	113.2	153.6	-139.8	147	-175.2	0	0	124
139	E	26.9	Very low	28.8	Very low	147 Å²	147	144.6 Å²	144.6	69%	0.687	79%	0.789	S	S	*	*			trans	72.6	124.6	132.5	-77.7	-177.4	170.3	0	0	126.5
140	L	28.4	Very low	28.9	Very low	144 Å²	144	147 Å²	147	75%	0.754	79%	0.791	S	S	*	*				96.3	136.2	127.7	-75.1	169.3	0	0	0	124.3
141	E	27.5	Very low	29.4	Very low	184 Å²	184	145.5 Å²	145.5	86%	0.86	79%	0.788	S	S	*	*			trans	74.7	144.8	158.7	-67.6	-173.7	170.7	0	0	122.8
142	E	25	Very low	29.8	Very low	185 Å²	185	145.9 Å²	145.9	86%	0.864	79%	0.785	S	S	*	*			trans	-98.6	-170.6	-175.8	-60.1	-171.2	149.6	0	0	111.9
143	P	42.1	Very low	30.4	Very low	117 Å²	117	146.9 Å²	146.9	76%	0.76	78%	0.784	S	S	*	*				-126.1	158.4	-58.8	32.5	-18.1	0	0	0	112.2
144	A	27	Very low	31	Very low	102 Å²	102	145.3 Å²	145.3	84%	0.843	79%	0.788	S	S	*	*			trans	-144.1	136.2	162.9	0	0	0	0	0	112.3
145	R	32.8	Very low	31.8	Very low	248 Å²	248	145.2 Å²	145.2	94%	0.936	80%	0.795	S	S	*	*			trans	-74.6	135	176	-56.5	165	180	158.8	-2.5	110
146	D	28.8	Very low	32.6	Very low	170 Å²	170	145.1 Å²	145.1	91%	0.909	79%	0.794	S	S	*	*				-168.9	170.3	107.7	-144.5	-23	0	0	0	111.1
147	G	31.3	Very low	33.8	Very low	61 Å²	61	143 Å²	143	63%	0.629	79%	0.789	S	S	*	*			trans	93.4	30.9	153.6	0	0	0	0	0	118.9	Q149	G147-Q149 PolarHBondContact O-N 3.34Å; G147-Q149 VanDerWaalsContact O-N 3.14Å
148	S	30.8	Very low	35.2	Very low	116 Å²	116	145.9 Å²	145.9	81%	0.811	80%	0.796	S	S	*	*			trans	-68.4	106.4	165.1	55	0	0	0	0	110.6	E150	S148-E150 PolarHBondContact O-N 3.16Å
149	Q	32	Very low	36.8	Very low	186 Å²	186	140.7 Å²	140.7	87%	0.869	77%	0.774	S	S	*	*			trans	-65.9	113.9	169	-72	-177.7	-32.9	0	0	109.4	G147 I151	G147-Q149 PolarHBondContact O-N 3.34Å; G147-Q149 VanDerWaalsContact O-N 3.14Å; Q149-I151 PolarHBondContact O-N 3.41Å
150	E	30.2	Very low	39.1	Very low	183 Å²	183	136 Å²	136	86%	0.855	76%	0.756	S	S	*	*			trans	-64	120.2	168.6	-70	-172.7	136.8	0	0	109.3	S148 S152	S148-E150 PolarHBondContact O-N 3.16Å; E150-S152 VanDerWaalsContact C-N 3.27Å; E150-S152 PolarHBondContact O-N 3.06Å
151	I	36.3	Very low	41.6	Very low	164 Å²	164	132.7 Å²	132.7	84%	0.841	75%	0.745	S	S	*	*			trans	-72.5	92.7	164.5	-60.7	175	0	0	0	105.9	Q149 L153	Q149-I151 PolarHBondContact O-N 3.41Å; I151-L153 PolarHBondContact O-N 2.88Å
152	S	33.4	Very low	44.4	Very low	103 Å²	103	129.1 Å²	129.1	72%	0.72	73%	0.728	S	S	*	*			trans	-59.8	108.9	176.4	57.6	0	0	0	0	109.4	E150	E150-S152 VanDerWaalsContact C-N 3.27Å; E150-S152 PolarHBondContact O-N 3.06Å
153	L	39.6	Very low	47.6	Very low	148 Å²	148	120.8 Å²	120.8	78%	0.775	69%	0.689	S	S	*	*			trans	-51.9	145.4	164.4	-70.7	165.9	0	0	0	108.9	I151 T155	I151-L153 PolarHBondContact O-N 2.88Å; L153-T155 PolarHBondContact O-N 3.17Å
154	P	41.6	Very low	49.9	Very low	126 Å²	126	120.3 Å²	120.3	82%	0.818	68%	0.677	S	S	*	*			trans	-61.4	104.8	176.2	-20.4	32.6	0	0	0	109.8	E156	P154-E156 PolarHBondContact O-N 3.12Å
155	T	43.3	Very low	53	Low	124 Å²	124	121.4 Å²	121.4	76%	0.761	66%	0.662	S	S	*	*			trans	-58.8	124.9	174	-43.6	0	0	0	0	108.3	L153	L153-T155 PolarHBondContact O-N 3.17Å
156	E	44.2	Very low	55.9	Low	164 Å²	164	111.5 Å²	111.5	77%	0.766	63%	0.628	S	S	*	*			trans	-54.6	137.3	172.2	-65.3	-170.2	144.8	0	0	109.2	P154 T158	P154-E156 PolarHBondContact O-N 3.12Å; E156-T158 PolarHBondContact O-N 3.3Å
157	P	52.8	Low	59	Low	116 Å²	116	104 Å²	104	75%	0.753	59%	0.587	S	S	*	*			trans	-63.9	105.9	179.9	25.8	-33.2	0	0	0	108.9
158	T	57.5	Low	61.9	Low	118 Å²	118	105.3 Å²	105.3	72%	0.724	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-50.2	126.4	179.3	50.7	0	0	0	0	109.3	E156	E156-T158 PolarHBondContact O-N 3.3Å
159	P	61.3	Low	64.9	Low	48 Å²	48	104 Å²	104	31%	0.312	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-59.5	146.4	-173.8	24.7	-34.1	0	0	0	110.5	S161 F163 E164	P159-S161 PolarHBondContact O-N 3.39Å; P159-F163 HydrophobicContact CB-CD1 3.72Å; P159-F163 HydrophobicContact CB-CE1 4.4Å; P159-F163 HydrophobicContact CB-CG 4.46Å; P159-F163 HydrophobicContact CG-CD1 4.44Å; P159-E164 HydrophobicContact CB-CG 4.46Å; P159-E164 HydrophobicContact CG-CG 3.98Å
160	P	74.8	Confident	67.8	Low	48 Å²	48	95.2 Å²	95.2	31%	0.312	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-54.9	136.8	178.5	-27.5	36.2	0	0	0	111.3	E162 F163 E164 Y186 L192	P160-E162 PolarHBondContact O-N 2.88Å; P160-F163 WeakPolarHBondContact O-CA 3.24Å; P160-F163 VanDerWaalsContact O-CB 3.3Å; P160-F163 WeakPolarHBondContact O-CB 3.4Å; P160-F163 PolarHBondContact O-N 2.67Å; P160-E164 PolarHBondContact O-N 2.96Å; P160-Y186 WeakPolarHBondContact CB-OH 3.49Å; P160-L192 HydrophobicContact CG-CD1 3.93Å; P160-L192 HydrophobicContact CG-CD2 4.44Å
161	S	80.9	Confident	70.7	Confident	75 Å²	75	91.1 Å²	91.1	52%	0.524	50%	0.498	S	S	.	.	H	α-helix	trans	-61.9	-6	-176.3	77.7	0	0	0	0	114.7	P159 K165	P159-S161 PolarHBondContact O-N 3.39Å; S161-K165 VanDerWaalsContact O-CD 3.26Å; S161-K165 WeakPolarHBondContact O-CD 3.47Å; S161-K165 WeakPolarHBondContact O-CE 3.4Å; S161-K165 VanDerWaalsContact O-CG 3.27Å; S161-K165 WeakPolarHBondContact O-CG 3.48Å; S161-K165 PolarHBondContact O-NZ 3.27Å; S161-K165 PolarHBondContact OG-NZ 3.45Å
162	E	86.7	Confident	73.3	Confident	109 Å²	109	88.3 Å²	88.3	51%	0.509	49%	0.485	S	S	.	.	H	α-helix	trans	-88.7	-37.3	171.5	-177.2	163.5	-152.8	0	0	112	P160 E164 K165 L166 Y186	P160-E162 PolarHBondContact O-N 2.88Å; E162-E164 VanDerWaalsContact C-N 3.33Å; E162-E164 PolarHBondContact O-N 3.04Å; E162-K165 PolarHBondContact O-N 3.14Å; E162-L166 HydrophobicContact CG-CD1 4.19Å; E162-L166 WeakPolarHBondContact O-CG 3.33Å; E162-L166 PolarHBondContact O-N 2.88Å; E162-Y186 HydrophobicContact CB-CE2 4.24Å; E162-Y186 HydrophobicContact CG-CD2 4.4Å; E162-Y186 HydrophobicContact CG-CE2 3.77Å
163	F	91.9	Very high	75.9	Confident	11 Å²	11	85.9 Å²	85.9	5%	0.048	47%	0.468	C	S	.	.	H	α-helix	trans	-54.9	-49.2	168.3	172.9	-99.8	0	0	0	111.2	P159 P160 K165 L166 F167 L183 Y186 V187 P195 S199	P159-F163 HydrophobicContact CB-CD1 3.72Å; P159-F163 HydrophobicContact CB-CE1 4.4Å; P159-F163 HydrophobicContact CB-CG 4.46Å; P159-F163 HydrophobicContact CG-CD1 4.44Å; P160-F163 WeakPolarHBondContact O-CA 3.24Å; P160-F163 VanDerWaalsContact O-CB 3.3Å; P160-F163 WeakPolarHBondContact O-CB 3.4Å; P160-F163 PolarHBondContact O-N 2.67Å; F163-K165 VanDerWaalsContact C-N 3.26Å; F163-K165 PolarHBondContact O-N 2.9Å; F163-L166 PolarHBondContact O-N 3.46Å; F163-F167 HydrophobicContact CE1-CB 4.15Å; F163-F167 HydrophobicContact CE1-CD2 4.14Å; F163-F167 HydrophobicContact CE1-CG 4.24Å; F163-F167 HydrophobicContact CE2-CB 4.35Å; F163-F167 AromaticContact CE2-CD2 3.9Å; F163-F167 HydrophobicContact CE2-CD2 3.9Å; F163-F167 HydrophobicContact CZ-CB 4.05Å; F163-F167 AromaticContact CZ-CD2 3.4Å; F163-F167 HydrophobicContact CZ-CD2 3.4Å; F163-F167 VanDerWaalsContact CZ-CD2 3.4Å; F163-F167 HydrophobicContact CZ-CE2 4.16Å; F163-F167 AromaticContact CZ-CG 3.94Å; F163-F167 HydrophobicContact CZ-CG 3.94Å; F163-F167 VanDerWaalsContact O-CB 3.23Å; F163-F167 WeakPolarHBondContact O-CB 3.43Å; F163-F167 PolarHBondContact O-N 2.97Å; F163-L183 HydrophobicContact CD2-CD1 3.79Å; F163-L183 HydrophobicContact CE2-CD1 3.77Å; F163-Y186 HydrophobicContact CB-CE1 4Å; F163-V187 HydrophobicContact CD2-CG1 3.67Å; F163-V187 HydrophobicContact CE2-CG1 3.82Å; F163-P195 HydrophobicContact CD1-CB 4.36Å; F163-P195 HydrophobicContact CD2-CB 3.73Å; F163-P195 HydrophobicContact CE1-CB 4.16Å; F163-P195 HydrophobicContact CE2-CB 3.51Å; F163-P195 HydrophobicContact CG-CB 4.15Å; F163-P195 HydrophobicContact CZ-CB 3.73Å; F163-S199 WeakPolarHBondContact CE2-OG 3.29Å
164	E	91.3	Very high	78.3	Confident	107 Å²	107	80.6 Å²	80.6	50%	0.5	44%	0.443	S	S	.	.	H	α-helix	trans	-59.8	-38.1	-178.4	-62.5	-173.9	137.3	0	0	112	P159 P160 E162 K168	P159-E164 HydrophobicContact CB-CG 4.46Å; P159-E164 HydrophobicContact CG-CG 3.98Å; P160-E164 PolarHBondContact O-N 2.96Å; E162-E164 VanDerWaalsContact C-N 3.33Å; E162-E164 PolarHBondContact O-N 3.04Å; E164-K168 WeakPolarHBondContact O-CB 3.31Å; E164-K168 PolarHBondContact O-N 3.3Å
165	K	92.3	Very high	80.4	Confident	124 Å²	124	78.5 Å²	78.5	54%	0.539	42%	0.422	S	S	.	.	H	α-helix	trans	-68	-48.4	176.6	-66.4	168.2	-167.7	120.2	0	111.6	S161 E162 F163 K168 I169	S161-K165 VanDerWaalsContact O-CD 3.26Å; S161-K165 WeakPolarHBondContact O-CD 3.47Å; S161-K165 WeakPolarHBondContact O-CE 3.4Å; S161-K165 VanDerWaalsContact O-CG 3.27Å; S161-K165 WeakPolarHBondContact O-CG 3.48Å; S161-K165 PolarHBondContact O-NZ 3.27Å; S161-K165 PolarHBondContact OG-NZ 3.45Å; E162-K165 PolarHBondContact O-N 3.14Å; F163-K165 VanDerWaalsContact C-N 3.26Å; F163-K165 PolarHBondContact O-N 2.9Å; K165-K168 PolarHBondContact O-N 3.49Å; K165-I169 WeakPolarHBondContact O-CG1 3.43Å; K165-I169 PolarHBondContact O-N 3.31Å
166	L	92.2	Very high	82.8	Confident	40 Å²	40	75.8 Å²	75.8	21%	0.209	40%	0.403	C	S	.	.	H	α-helix	trans	-64.9	-42.5	179.3	-68.5	172.7	0	0	0	111.6	E162 F163 K168 I169 C170 L183 Y186	E162-L166 HydrophobicContact CG-CD1 4.19Å; E162-L166 WeakPolarHBondContact O-CG 3.33Å; E162-L166 PolarHBondContact O-N 2.88Å; F163-L166 PolarHBondContact O-N 3.46Å; L166-K168 VanDerWaalsContact C-N 3.33Å; L166-K168 PolarHBondContact O-N 3.3Å; L166-I169 PolarHBondContact O-N 2.75Å; L166-C170 PolarHBondContact O-N 3.35Å; L166-C170 PolarHBondContact O-SG 3.13Å; L166-L183 HydrophobicContact CB-CB 4.34Å; L166-L183 HydrophobicContact CB-CD1 3.76Å; L166-Y186 HydrophobicContact CD1-CD1 4.11Å; L166-Y186 HydrophobicContact CD1-CD2 4.04Å; L166-Y186 HydrophobicContact CD1-CG 3.71Å
167	F	93.9	Very high	85.2	Confident	12 Å²	12	69 Å²	69	5%	0.053	37%	0.371	C	S	.	.	H	α-helix	trans	-62.5	-41.2	174.3	-162.6	-84.1	0	0	0	110.8	F163 C170 E171 L183 K198 V202	F163-F167 HydrophobicContact CE1-CB 4.15Å; F163-F167 HydrophobicContact CE1-CD2 4.14Å; F163-F167 HydrophobicContact CE1-CG 4.24Å; F163-F167 HydrophobicContact CE2-CB 4.35Å; F163-F167 AromaticContact CE2-CD2 3.9Å; F163-F167 HydrophobicContact CE2-CD2 3.9Å; F163-F167 HydrophobicContact CZ-CB 4.05Å; F163-F167 AromaticContact CZ-CD2 3.4Å; F163-F167 HydrophobicContact CZ-CD2 3.4Å; F163-F167 VanDerWaalsContact CZ-CD2 3.4Å; F163-F167 HydrophobicContact CZ-CE2 4.16Å; F163-F167 AromaticContact CZ-CG 3.94Å; F163-F167 HydrophobicContact CZ-CG 3.94Å; F163-F167 VanDerWaalsContact O-CB 3.23Å; F163-F167 WeakPolarHBondContact O-CB 3.43Å; F163-F167 PolarHBondContact O-N 2.97Å; F167-C170 CarbonylContact O-C 3.59Å; F167-C170 WeakPolarHBondContact O-CB 3.38Å; F167-C170 PolarHBondContact O-N 2.89Å; F167-C170 VanDerWaalsContact O-N 3.12Å; F167-E171 HydrophobicContact CD1-CG 3.86Å; F167-E171 HydrophobicContact CE1-CG 3.71Å; F167-E171 WeakPolarHBondContact CE1-OE1 3.4Å; F167-E171 PolarHBondContact O-N 3.27Å; F167-L183 HydrophobicContact CB-CD1 4.41Å; F167-L183 HydrophobicContact CB-CD2 4.49Å; F167-L183 HydrophobicContact CD2-CD2 3.92Å; F167-K198 HydrophobicContact CE1-CD 4.34Å; F167-K198 HydrophobicContact CE2-CD 3.78Å; F167-K198 HydrophobicContact CE2-CG 3.95Å; F167-K198 HydrophobicContact CZ-CD 3.69Å; F167-K198 HydrophobicContact CZ-CG 3.96Å; F167-V202 HydrophobicContact CZ-CG2 4.43Å
168	K	93.3	Very high	87.2	Confident	90 Å²	90	68.8 Å²	68.8	39%	0.391	36%	0.364	S	S	.	.	H	α-helix	trans	-66.9	-39.1	178.9	-170.7	48.6	175	159.7	0	113.1	E164 K165 L166 C170 E171 D172	E164-K168 WeakPolarHBondContact O-CB 3.31Å; E164-K168 PolarHBondContact O-N 3.3Å; K165-K168 PolarHBondContact O-N 3.49Å; L166-K168 VanDerWaalsContact C-N 3.33Å; L166-K168 PolarHBondContact O-N 3.3Å; K168-C170 PolarHBondContact O-N 3.05Å; K168-E171 HydrophobicContact CD-CB 4.2Å; K168-E171 WeakPolarHBondContact CD-OE2 3.42Å; K168-E171 IonicContact NZ-OE2 2.72Å; K168-E171 PolarHBondContact NZ-OE2 3.21Å; K168-E171 PolarHBondContact O-N 3.03Å; K168-D172 WeakPolarHBondContact CE-OD1 3.36Å; K168-D172 VanDerWaalsContact CE-OD2 3.27Å; K168-D172 WeakPolarHBondContact CE-OD2 3.46Å; K168-D172 IonicContact NZ-OD1 3.87Å; K168-D172 PolarHBondContact NZ-OD1 3.37Å; K168-D172 IonicContact NZ-OD2 3.65Å; K168-D172 WeakPolarHBondContact O-CB 3.49Å; K168-D172 PolarHBondContact O-N 2.72Å
169	I	93.1	Very high	89	Confident	89 Å²	89	63.8 Å²	63.8	46%	0.456	33%	0.334	S	S	.	.	H	α-helix	trans	-57.8	-39.1	171.3	-66.6	162.7	0	0	0	110.6	K165 L166 S173 A179	K165-I169 WeakPolarHBondContact O-CG1 3.43Å; K165-I169 PolarHBondContact O-N 3.31Å; L166-I169 PolarHBondContact O-N 2.75Å; I169-S173 PolarHBondContact O-N 3.21Å; I169-A179 HydrophobicContact CG2-CB 3.87Å
170	C	93.3	Very high	90.6	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.007	32%	0.32	C	S	.	.	H	α-helix	trans	-73.1	-33.1	177.7	-60.7	0	0	0	0	113.4	L166 F167 K168 S173 P174 A179 W180 L183	L166-C170 PolarHBondContact O-N 3.35Å; L166-C170 PolarHBondContact O-SG 3.13Å; F167-C170 CarbonylContact O-C 3.59Å; F167-C170 WeakPolarHBondContact O-CB 3.38Å; F167-C170 PolarHBondContact O-N 2.89Å; F167-C170 VanDerWaalsContact O-N 3.12Å; K168-C170 PolarHBondContact O-N 3.05Å; C170-S173 CarbonylContact O-C 3.32Å; C170-P174 WeakPolarHBondContact O-CA 3.48Å; C170-A179 VanDerWaalsContact SG-C 3.5Å; C170-W180 HydrophobicContact CB-CD2 3.88Å; C170-W180 HydrophobicContact CB-CE3 3.86Å; C170-W180 HydrophobicContact CB-CH2 3.63Å; C170-W180 HydrophobicContact CB-CZ2 3.68Å; C170-W180 HydrophobicContact CB-CZ3 3.74Å; C170-L183 HydrophobicContact CB-CD2 4.2Å
171	E	90.3	Very high	91.6	Very high	96 Å²	96	61.2 Å²	61.2	45%	0.449	32%	0.316	S	S	.	.	H	α-helix	trans	-66.8	-43.3	170.4	-72.1	-174.4	166.8	0	0	112.3	F167 K168 S173 P174	F167-E171 HydrophobicContact CD1-CG 3.86Å; F167-E171 HydrophobicContact CE1-CG 3.71Å; F167-E171 WeakPolarHBondContact CE1-OE1 3.4Å; F167-E171 PolarHBondContact O-N 3.27Å; K168-E171 HydrophobicContact CD-CB 4.2Å; K168-E171 WeakPolarHBondContact CD-OE2 3.42Å; K168-E171 IonicContact NZ-OE2 2.72Å; K168-E171 PolarHBondContact NZ-OE2 3.21Å; K168-E171 PolarHBondContact O-N 3.03Å; E171-S173 VanDerWaalsContact C-N 3.34Å; E171-P174 WeakPolarHBondContact O-CD 3.18Å; E171-P174 VanDerWaalsContact O-CG 3.25Å; E171-P174 WeakPolarHBondContact O-CG 3.49Å
172	D	91.2	Very high	92.3	Very high	106 Å²	106	60.6 Å²	60.6	57%	0.567	31%	0.312	S	S	*	.	H	α-helix	trans	-80	-19	-175.6	-66.2	-19.5	0	0	0	112.1	K168	K168-D172 WeakPolarHBondContact CE-OD1 3.36Å; K168-D172 VanDerWaalsContact CE-OD2 3.27Å; K168-D172 WeakPolarHBondContact CE-OD2 3.46Å; K168-D172 IonicContact NZ-OD1 3.87Å; K168-D172 PolarHBondContact NZ-OD1 3.37Å; K168-D172 IonicContact NZ-OD2 3.65Å; K168-D172 WeakPolarHBondContact O-CB 3.49Å; K168-D172 PolarHBondContact O-N 2.72Å
173	S	89.1	Confident	92.8	Very high	52 Å²	52	55.4 Å²	55.4	36%	0.364	29%	0.288	S	S	.	.			trans	-137.3	69.5	172.4	-70.5	0	0	0	0	112.7	I169 C170 E171 E175 D176	I169-S173 PolarHBondContact O-N 3.21Å; C170-S173 CarbonylContact O-C 3.32Å; E171-S173 VanDerWaalsContact C-N 3.34Å; S173-E175 PolarHBondContact O-N 3.24Å; S173-D176 PolarHBondContact O-N 3.19Å
174	P	88.7	Confident	93	Very high	37 Å²	37	55 Å²	55	24%	0.24	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-9.1	-174.1	-24.3	35.8	0	0	0	116.1	C170 E171 W180	C170-P174 WeakPolarHBondContact O-CA 3.48Å; E171-P174 WeakPolarHBondContact O-CD 3.18Å; E171-P174 VanDerWaalsContact O-CG 3.25Å; E171-P174 WeakPolarHBondContact O-CG 3.49Å; P174-W180 PolarHBondContact O-NE1 2.98Å
175	E	87.3	Confident	93.1	Very high	82 Å²	82	54.2 Å²	54.2	38%	0.383	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-2.3	179.1	-73.6	166.3	-109.7	0	0	113.4	S173 F177 R206 Y207 K506	S173-E175 PolarHBondContact O-N 3.24Å; E175-F177 PolarHBondContact O-N 3.46Å; E175-F177 VanDerWaalsContact O-N 3.12Å; E175-R206 IonicContact OE1-NH2 3.63Å; E175-R206 PolarHBondContact OE1-NH2 3.06Å; E175-Y207 WeakPolarHBondContact CA-OH 3.44Å; E175-Y207 PolarHBondContact O-OH 3.15Å; E175-Y207 VanDerWaalsContact O-OH 3.06Å; E175-K506 WeakPolarHBondContact OE1-CD 3.38Å; E175-K506 WeakPolarHBondContact OE1-CE 3.43Å; E175-K506 IonicContact OE1-NZ 3.3Å; E175-K506 PolarHBondContact OE1-NZ 3.39Å
176	D	92.9	Very high	93.2	Very high	67 Å²	67	49.5 Å²	49.5	36%	0.358	26%	0.261	S	S	.	.			trans	-79.9	93	167.3	-174.1	4	0	0	0	110.4	S173 N178 A179 W180	S173-D176 PolarHBondContact O-N 3.19Å; D176-N178 PolarHBondContact O-N 3.24Å; D176-N178 VanDerWaalsContact O-N 3.15Å; D176-N178 WeakPolarHBondContact OD1-CB 3.45Å; D176-N178 PolarHBondContact OD1-N 3.03Å; D176-N178 PolarHBondContact OD1-ND2 3.43Å; D176-A179 HydrophobicContact CB-CB 4.1Å; D176-A179 PolarHBondContact O-N 3.34Å; D176-W180 VanDerWaalsContact O-CD1 3.26Å; D176-W180 PolarHBondContact O-N 3Å
177	F	93.7	Very high	93.3	Very high	22 Å²	22	47.6 Å²	47.6	10%	0.096	25%	0.251	C	S	.	.	H	α-helix	trans	-54.7	-29.3	174.8	-171.8	-100.6	0	0	0	113.4	E175 W180 V181 F203 Y207 Y213 V432	E175-F177 PolarHBondContact O-N 3.46Å; E175-F177 VanDerWaalsContact O-N 3.12Å; F177-W180 PolarHBondContact O-N 3.23Å; F177-V181 HydrophobicContact CD1-CG2 3.76Å; F177-V181 HydrophobicContact CE1-CG2 3.58Å; F177-V181 HydrophobicContact CZ-CG2 4.19Å; F177-V181 WeakPolarHBondContact O-CG2 3.5Å; F177-V181 PolarHBondContact O-N 3.17Å; F177-F203 HydrophobicContact CD2-CE2 4.16Å; F177-F203 AromaticContact CE2-CE2 3.87Å; F177-F203 HydrophobicContact CE2-CE2 3.87Å; F177-F203 AromaticContact CE2-CZ 3.88Å; F177-F203 HydrophobicContact CE2-CZ 3.88Å; F177-Y207 HydrophobicContact CD2-CD1 4.09Å; F177-Y207 HydrophobicContact CD2-CD2 4.13Å; F177-Y207 HydrophobicContact CD2-CE1 4.01Å; F177-Y207 HydrophobicContact CD2-CE2 4.05Å; F177-Y207 HydrophobicContact CD2-CG 4.13Å; F177-Y207 AromaticContact CD2-CZ 3.98Å; F177-Y207 HydrophobicContact CE2-CD1 4.43Å; F177-Y207 HydrophobicContact CE2-CG 4.32Å; F177-Y213 HydrophobicContact CZ-CE2 4.22Å; F177-V432 HydrophobicContact CB-CB 4.25Å; F177-V432 HydrophobicContact CB-CG1 4.26Å; F177-V432 HydrophobicContact CB-CG2 3.91Å; F177-V432 HydrophobicContact CD1-CG2 4.32Å; F177-V432 HydrophobicContact CD2-CG2 3.51Å; F177-V432 HydrophobicContact CE2-CG2 4.07Å; F177-V432 HydrophobicContact CG-CB 4.2Å; F177-V432 HydrophobicContact CG-CG2 3.65Å
178	N	94.9	Very high	93.3	Very high	111 Å²	111	49.7 Å²	49.7	59%	0.594	26%	0.261	S	S	*	.	H	α-helix	trans	-75.5	-38.1	-178.5	-48.4	-80.7	0	0	0	111.5	D176 W180 V181 S182	D176-N178 PolarHBondContact O-N 3.24Å; D176-N178 VanDerWaalsContact O-N 3.15Å; D176-N178 WeakPolarHBondContact OD1-CB 3.45Å; D176-N178 PolarHBondContact OD1-N 3.03Å; D176-N178 PolarHBondContact OD1-ND2 3.43Å; N178-W180 VanDerWaalsContact C-N 3.31Å; N178-W180 PolarHBondContact O-N 3.36Å; N178-V181 PolarHBondContact O-N 3.29Å; N178-S182 PolarHBondContact O-N 2.88Å; N178-S182 PolarHBondContact O-OG 2.93Å; N178-S182 VanDerWaalsContact O-OG 3.14Å
179	A	95.1	Very high	93.2	Very high	12 Å²	12	51.6 Å²	51.6	10%	0.099	27%	0.271	C	S	.	.	H	α-helix	trans	-57.9	-45.9	170.8	0	0	0	0	0	110.9	I169 C170 D176 S182 L183	I169-A179 HydrophobicContact CG2-CB 3.87Å; C170-A179 VanDerWaalsContact SG-C 3.5Å; D176-A179 HydrophobicContact CB-CB 4.1Å; D176-A179 PolarHBondContact O-N 3.34Å; A179-S182 PolarHBondContact O-N 3.23Å; A179-L183 WeakPolarHBondContact O-CB 3.25Å; A179-L183 PolarHBondContact O-N 2.93Å
180	W	96.6	Very high	93.2	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.015	28%	0.275	C	S	.	.	H	α-helix	trans	-60.3	-44.3	173.4	-71.6	112.1	0	0	0	112.8	C170 P174 D176 F177 N178 S182 L183 L184 V202 F203 Y207	C170-W180 HydrophobicContact CB-CD2 3.88Å; C170-W180 HydrophobicContact CB-CE3 3.86Å; C170-W180 HydrophobicContact CB-CH2 3.63Å; C170-W180 HydrophobicContact CB-CZ2 3.68Å; C170-W180 HydrophobicContact CB-CZ3 3.74Å; P174-W180 PolarHBondContact O-NE1 2.98Å; D176-W180 VanDerWaalsContact O-CD1 3.26Å; D176-W180 PolarHBondContact O-N 3Å; F177-W180 PolarHBondContact O-N 3.23Å; N178-W180 VanDerWaalsContact C-N 3.31Å; N178-W180 PolarHBondContact O-N 3.36Å; W180-S182 VanDerWaalsContact C-N 3.32Å; W180-S182 PolarHBondContact O-N 3.5Å; W180-L183 HydrophobicContact CE3-CD2 3.96Å; W180-L183 HydrophobicContact CZ3-CD2 3.9Å; W180-L183 PolarHBondContact O-N 3.49Å; W180-L184 WeakPolarHBondContact O-CB 3.47Å; W180-L184 VanDerWaalsContact O-CG 3.25Å; W180-L184 WeakPolarHBondContact O-CG 3.42Å; W180-L184 PolarHBondContact O-N 3.32Å; W180-V202 HydrophobicContact CH2-CB 4.23Å; W180-V202 HydrophobicContact CH2-CG1 3.61Å; W180-V202 HydrophobicContact CZ2-CG1 4.3Å; W180-V202 HydrophobicContact CZ3-CG1 4.42Å; W180-F203 HydrophobicContact CB-CD2 3.69Å; W180-F203 HydrophobicContact CB-CE2 3.94Å; W180-F203 HydrophobicContact CD2-CB 4.44Å; W180-F203 HydrophobicContact CD2-CD2 4.03Å; W180-F203 HydrophobicContact CE3-CB 4Å; W180-F203 HydrophobicContact CE3-CD2 4.28Å; W180-F203 AromaticContact CG-CD2 3.79Å; W180-F203 HydrophobicContact CG-CD2 3.79Å; W180-F203 HydrophobicContact CG-CE2 4.37Å; W180-F203 HydrophobicContact CZ3-CB 4.33Å; W180-Y207 AromaticContact CD1-CE2 3.76Å
181	V	95.9	Very high	93	Very high	39 Å²	39	56.6 Å²	56.6	24%	0.236	30%	0.295	C	S	.	.	H	α-helix	trans	-58.5	-45.1	175.5	177.8	0	0	0	0	110.8	F177 N178 L184 Q185 Y213	F177-V181 HydrophobicContact CD1-CG2 3.76Å; F177-V181 HydrophobicContact CE1-CG2 3.58Å; F177-V181 HydrophobicContact CZ-CG2 4.19Å; F177-V181 WeakPolarHBondContact O-CG2 3.5Å; F177-V181 PolarHBondContact O-N 3.17Å; N178-V181 PolarHBondContact O-N 3.29Å; V181-L184 PolarHBondContact O-N 2.89Å; V181-Q185 VanDerWaalsContact O-CB 3.23Å; V181-Q185 WeakPolarHBondContact O-CB 3.48Å; V181-Q185 PolarHBondContact O-N 3.34Å; V181-Y213 VanDerWaalsContact CG2-OH 3.25Å; V181-Y213 WeakPolarHBondContact CG2-OH 3.06Å
182	S	95.4	Very high	92.9	Very high	62 Å²	62	53.8 Å²	53.8	43%	0.434	28%	0.283	S	S	.	.	H	α-helix	trans	-65	-43.3	179.1	-61.5	0	0	0	0	112.7	N178 A179 W180 Y186	N178-S182 PolarHBondContact O-N 2.88Å; N178-S182 PolarHBondContact O-OG 2.93Å; N178-S182 VanDerWaalsContact O-OG 3.14Å; A179-S182 PolarHBondContact O-N 3.23Å; W180-S182 VanDerWaalsContact C-N 3.32Å; W180-S182 PolarHBondContact O-N 3.5Å; S182-Y186 WeakPolarHBondContact O-CB 3.19Å; S182-Y186 PolarHBondContact O-N 3.4Å
183	L	95.8	Very high	93	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.5	-48.8	174.8	173	64.9	0	0	0	111.8	F163 L166 F167 C170 A179 W180 Q185 Y186 V187	F163-L183 HydrophobicContact CD2-CD1 3.79Å; F163-L183 HydrophobicContact CE2-CD1 3.77Å; L166-L183 HydrophobicContact CB-CB 4.34Å; L166-L183 HydrophobicContact CB-CD1 3.76Å; F167-L183 HydrophobicContact CB-CD1 4.41Å; F167-L183 HydrophobicContact CB-CD2 4.49Å; F167-L183 HydrophobicContact CD2-CD2 3.92Å; C170-L183 HydrophobicContact CB-CD2 4.2Å; A179-L183 WeakPolarHBondContact O-CB 3.25Å; A179-L183 PolarHBondContact O-N 2.93Å; W180-L183 HydrophobicContact CE3-CD2 3.96Å; W180-L183 HydrophobicContact CZ3-CD2 3.9Å; W180-L183 PolarHBondContact O-N 3.49Å; L183-Q185 VanDerWaalsContact C-N 3.33Å; L183-Q185 PolarHBondContact O-N 3.09Å; L183-Y186 WeakPolarHBondContact O-CB 3.42Å; L183-Y186 PolarHBondContact O-N 2.96Å; L183-V187 HydrophobicContact CD1-CG1 4.41Å; L183-V187 PolarHBondContact O-N 3.15Å
184	L	95.8	Very high	93.1	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-68.7	-33.1	-178.2	-66.8	175.3	0	0	0	111.8	W180 V181 V187 E188 F200 F203 Y213	W180-L184 WeakPolarHBondContact O-CB 3.47Å; W180-L184 VanDerWaalsContact O-CG 3.25Å; W180-L184 WeakPolarHBondContact O-CG 3.42Å; W180-L184 PolarHBondContact O-N 3.32Å; V181-L184 PolarHBondContact O-N 2.89Å; L184-V187 WeakPolarHBondContact O-CG2 3.43Å; L184-E188 VanDerWaalsContact O-CB 3.31Å; L184-E188 WeakPolarHBondContact O-CB 3.49Å; L184-E188 PolarHBondContact O-N 3.27Å; L184-F200 HydrophobicContact CD1-CD1 4.27Å; L184-F200 HydrophobicContact CD1-CE1 4.21Å; L184-F200 HydrophobicContact CD2-CD1 3.82Å; L184-F200 HydrophobicContact CD2-CD2 4.18Å; L184-F200 HydrophobicContact CD2-CE1 3.97Å; L184-F200 HydrophobicContact CD2-CE2 4.3Å; L184-F200 HydrophobicContact CD2-CG 3.93Å; L184-F200 HydrophobicContact CD2-CZ 4.19Å; L184-F203 HydrophobicContact CD1-CB 4.17Å; L184-F203 HydrophobicContact CD1-CD1 3.93Å; L184-F203 HydrophobicContact CD1-CD2 3.88Å; L184-F203 HydrophobicContact CD1-CE1 4.24Å; L184-F203 HydrophobicContact CD1-CE2 4.18Å; L184-F203 HydrophobicContact CD1-CG 3.73Å; L184-F203 HydrophobicContact CD1-CZ 4.35Å; L184-Y213 HydrophobicContact CB-CE1 4.35Å; L184-Y213 HydrophobicContact CD1-CD1 3.66Å; L184-Y213 HydrophobicContact CD1-CE1 3.85Å
185	Q	95.1	Very high	93.3	Very high	91 Å²	91	52.2 Å²	52.2	43%	0.425	27%	0.269	S	S	.	.	H	α-helix	trans	-66.8	-42.5	170.3	-179.5	174.3	-15.7	0	0	111.8	V181 L183 E188 Q189	V181-Q185 VanDerWaalsContact O-CB 3.23Å; V181-Q185 WeakPolarHBondContact O-CB 3.48Å; V181-Q185 PolarHBondContact O-N 3.34Å; L183-Q185 VanDerWaalsContact C-N 3.33Å; L183-Q185 PolarHBondContact O-N 3.09Å; Q185-E188 PolarHBondContact O-N 3.27Å; Q185-Q189 HydrophobicContact CG-CG 4.28Å; Q185-Q189 VanDerWaalsContact NE2-NE2 3.18Å; Q185-Q189 WeakPolarHBondContact O-CB 3.49Å; Q185-Q189 VanDerWaalsContact O-CG 3.27Å; Q185-Q189 WeakPolarHBondContact O-CG 3.31Å; Q185-Q189 PolarHBondContact O-N 3.46Å
186	Y	94.4	Very high	93.6	Very high	25 Å²	25	48.3 Å²	48.3	10%	0.098	25%	0.251	C	S	.	.	H	α-helix	trans	-60.9	-50	178.4	174.5	-92.2	0	0	0	112	P160 E162 F163 L166 S182 L183 E188 Q189 E190 L192	P160-Y186 WeakPolarHBondContact CB-OH 3.49Å; E162-Y186 HydrophobicContact CB-CE2 4.24Å; E162-Y186 HydrophobicContact CG-CD2 4.4Å; E162-Y186 HydrophobicContact CG-CE2 3.77Å; F163-Y186 HydrophobicContact CB-CE1 4Å; L166-Y186 HydrophobicContact CD1-CD1 4.11Å; L166-Y186 HydrophobicContact CD1-CD2 4.04Å; L166-Y186 HydrophobicContact CD1-CG 3.71Å; S182-Y186 WeakPolarHBondContact O-CB 3.19Å; S182-Y186 PolarHBondContact O-N 3.4Å; L183-Y186 WeakPolarHBondContact O-CB 3.42Å; L183-Y186 PolarHBondContact O-N 2.96Å; Y186-E188 VanDerWaalsContact C-N 3.3Å; Y186-E188 PolarHBondContact O-N 3.47Å; Y186-Q189 PolarHBondContact O-N 2.91Å; Y186-E190 HydrophobicContact CD2-CG 4.24Å; Y186-E190 HydrophobicContact CE1-CG 4.25Å; Y186-E190 HydrophobicContact CE2-CG 3.84Å; Y186-E190 PolarHBondContact O-N 2.95Å; Y186-L192 HydrophobicContact CE1-CD1 3.86Å
187	V	94.1	Very high	93.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-68.5	-26.9	179.7	-59.3	0	0	0	0	113.2	F163 L183 L184 N191 L192 P195 A196 M220	F163-V187 HydrophobicContact CD2-CG1 3.67Å; F163-V187 HydrophobicContact CE2-CG1 3.82Å; L183-V187 HydrophobicContact CD1-CG1 4.41Å; L183-V187 PolarHBondContact O-N 3.15Å; L184-V187 WeakPolarHBondContact O-CG2 3.43Å; V187-N191 WeakPolarHBondContact O-CA 3.46Å; V187-N191 PolarHBondContact O-N 3.47Å; V187-N191 VanDerWaalsContact O-N 3.16Å; V187-L192 HydrophobicContact CB-CB 4.47Å; V187-L192 PolarHBondContact O-N 3.28Å; V187-P195 HydrophobicContact CG1-CB 4.11Å; V187-A196 HydrophobicContact CB-CB 4.01Å; V187-A196 HydrophobicContact CG2-CB 3.78Å; V187-M220 WeakPolarHBondContact O-CE 3.46Å
188	E	92.7	Very high	93.8	Very high	55 Å²	55	52.2 Å²	52.2	26%	0.257	26%	0.263	S	S	.	.	H	α-helix	trans	-71.8	-39.1	171.1	-177.7	177.3	-157.3	0	0	112	L184 Q185 Y186 K216	L184-E188 VanDerWaalsContact O-CB 3.31Å; L184-E188 WeakPolarHBondContact O-CB 3.49Å; L184-E188 PolarHBondContact O-N 3.27Å; Q185-E188 PolarHBondContact O-N 3.27Å; Y186-E188 VanDerWaalsContact C-N 3.3Å; Y186-E188 PolarHBondContact O-N 3.47Å; E188-K216 IonicContact OE1-NZ 3.8Å; E188-K216 WeakPolarHBondContact OE2-CE 3.03Å; E188-K216 IonicContact OE2-NZ 2.66Å; E188-K216 PolarHBondContact OE2-NZ 2.91Å
189	Q	92.8	Very high	93.9	Very high	131 Å²	131	47 Å²	47	61%	0.612	24%	0.235	S	C	*	.	H	α-helix	trans	-72.6	-46.4	179.6	-76	179.3	-28	0	0	112.6	Q185 Y186 N191	Q185-Q189 HydrophobicContact CG-CG 4.28Å; Q185-Q189 VanDerWaalsContact NE2-NE2 3.18Å; Q185-Q189 WeakPolarHBondContact O-CB 3.49Å; Q185-Q189 VanDerWaalsContact O-CG 3.27Å; Q185-Q189 WeakPolarHBondContact O-CG 3.31Å; Q185-Q189 PolarHBondContact O-N 3.46Å; Y186-Q189 PolarHBondContact O-N 2.91Å; Q189-N191 PolarHBondContact O-N 2.92Å
190	E	91.3	Very high	94	Very high	115 Å²	115	46.5 Å²	46.5	54%	0.537	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-1.5	175.8	-63.2	-62.2	122.2	0	0	112.6	Y186 L192	Y186-E190 HydrophobicContact CD2-CG 4.24Å; Y186-E190 HydrophobicContact CE1-CG 4.25Å; Y186-E190 HydrophobicContact CE2-CG 3.84Å; Y186-E190 PolarHBondContact O-N 2.95Å; E190-L192 VanDerWaalsContact C-N 3.3Å; E190-L192 HydrophobicContact CB-CD1 3.71Å; E190-L192 HydrophobicContact CB-CD2 4.35Å; E190-L192 HydrophobicContact CB-CG 3.63Å; E190-L192 PolarHBondContact O-N 3.37Å
191	N	89.9	Confident	93.9	Very high	79 Å²	79	48.7 Å²	48.7	42%	0.422	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	42.3	178.9	-167.9	72.8	0	0	0	113.7	V187 Q189 L193 H224	V187-N191 WeakPolarHBondContact O-CA 3.46Å; V187-N191 PolarHBondContact O-N 3.47Å; V187-N191 VanDerWaalsContact O-N 3.16Å; Q189-N191 PolarHBondContact O-N 2.92Å; N191-L193 PolarHBondContact O-N 3.09Å; N191-H224 PolarHBondContact ND2-CE1 3.06Å; N191-H224 VanDerWaalsContact ND2-CE1 3.33Å; N191-H224 PolarHBondContact ND2-NE2 3.22Å; N191-H224 PolarHBondContact OD1-CE1 2.74Å; N191-H224 VanDerWaalsContact OD1-CE1 3.24Å
192	L	89.4	Confident	93.9	Very high	38 Å²	38	49.3 Å²	49.3	20%	0.199	25%	0.247	C	C	.	.			trans	-90.1	85.5	-171.7	-63.3	173.4	0	0	0	111.7	P160 Y186 V187 E190 L194 P195 A196	P160-L192 HydrophobicContact CG-CD1 3.93Å; P160-L192 HydrophobicContact CG-CD2 4.44Å; Y186-L192 HydrophobicContact CE1-CD1 3.86Å; V187-L192 HydrophobicContact CB-CB 4.47Å; V187-L192 PolarHBondContact O-N 3.28Å; E190-L192 VanDerWaalsContact C-N 3.3Å; E190-L192 HydrophobicContact CB-CD1 3.71Å; E190-L192 HydrophobicContact CB-CD2 4.35Å; E190-L192 HydrophobicContact CB-CG 3.63Å; E190-L192 PolarHBondContact O-N 3.37Å; L192-L194 PolarHBondContact O-N 3.06Å; L192-P195 HydrophobicContact CB-CB 3.98Å; L192-P195 HydrophobicContact CB-CG 3.9Å; L192-P195 WeakPolarHBondContact O-CD 3.42Å; L192-A196 WeakPolarHBondContact O-CB 3.25Å; L192-A196 PolarHBondContact O-N 3.49Å
193	L	91.5	Very high	93.9	Very high	33 Å²	33	46.4 Å²	46.4	17%	0.173	23%	0.226	C	C	.	.	H	α-helix	trans	-53.1	-54.2	-171.5	-175.6	63.2	0	0	0	115.3	N191 A196 R197 E221 H224	N191-L193 PolarHBondContact O-N 3.09Å; L193-A196 WeakPolarHBondContact O-CB 3.42Å; L193-A196 PolarHBondContact O-N 2.72Å; L193-R197 WeakPolarHBondContact O-CG 3.46Å; L193-R197 PolarHBondContact O-N 2.75Å; L193-E221 WeakPolarHBondContact CD1-OE1 3.04Å; L193-H224 HydrophobicContact CD2-CB 4.19Å
194	L	91.8	Very high	93.9	Very high	105 Å²	105	47 Å²	47	55%	0.55	23%	0.228	S	C	.	.	H	α-helix	trans	-67.7	-44.8	-177.3	-59.7	176.9	0	0	0	112.5	L192 A196 R197 K198	L192-L194 PolarHBondContact O-N 3.06Å; L194-A196 VanDerWaalsContact C-N 3.3Å; L194-A196 PolarHBondContact O-N 2.83Å; L194-R197 PolarHBondContact O-N 2.75Å; L194-K198 PolarHBondContact O-N 2.89Å
195	P	93.1	Very high	93.8	Very high	23 Å²	23	52.6 Å²	52.6	15%	0.149	26%	0.258	C	S	.	.	H	α-helix	trans	-57.4	-37.3	168.2	-30.5	39.2	0	0	0	114.4	F163 V187 L192 S199	F163-P195 HydrophobicContact CD1-CB 4.36Å; F163-P195 HydrophobicContact CD2-CB 3.73Å; F163-P195 HydrophobicContact CE1-CB 4.16Å; F163-P195 HydrophobicContact CE2-CB 3.51Å; F163-P195 HydrophobicContact CG-CB 4.15Å; F163-P195 HydrophobicContact CZ-CB 3.73Å; V187-P195 HydrophobicContact CG1-CB 4.11Å; L192-P195 HydrophobicContact CB-CB 3.98Å; L192-P195 HydrophobicContact CB-CG 3.9Å; L192-P195 WeakPolarHBondContact O-CD 3.42Å; P195-S199 WeakPolarHBondContact O-CB 3.44Å; P195-S199 PolarHBondContact O-N 3.43Å; P195-S199 PolarHBondContact O-OG 3.41Å
196	A	94.3	Very high	93.5	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-65.2	-49.1	177.6	0	0	0	0	0	111.7	V187 L192 L193 L194 K198 S199 F200 M220	V187-A196 HydrophobicContact CB-CB 4.01Å; V187-A196 HydrophobicContact CG2-CB 3.78Å; L192-A196 WeakPolarHBondContact O-CB 3.25Å; L192-A196 PolarHBondContact O-N 3.49Å; L193-A196 WeakPolarHBondContact O-CB 3.42Å; L193-A196 PolarHBondContact O-N 2.72Å; L194-A196 VanDerWaalsContact C-N 3.3Å; L194-A196 PolarHBondContact O-N 2.83Å; A196-K198 PolarHBondContact O-N 3.14Å; A196-S199 PolarHBondContact O-N 2.88Å; A196-F200 HydrophobicContact CB-CD2 4.25Å; A196-F200 HydrophobicContact CB-CE2 4.33Å; A196-F200 VanDerWaalsContact O-CD2 3.29Å; A196-F200 WeakPolarHBondContact O-CD2 3.37Å; A196-F200 PolarHBondContact O-N 3.46Å; A196-M220 HydrophobicContact CB-CE 3.67Å; A196-M220 HydrophobicContact CB-SD 3.54Å; A196-M220 VanDerWaalsContact CB-SD 3.54Å
197	R	95.9	Very high	93.5	Very high	67 Å²	67	51.1 Å²	51.1	25%	0.253	25%	0.248	S	C	.	.	H	α-helix	trans	-48.9	-57.8	174.9	-72.3	175.1	175.5	178.9	-2.8	111.3	L193 L194 S199 F200 D201 Y217 E221 N226	L193-R197 WeakPolarHBondContact O-CG 3.46Å; L193-R197 PolarHBondContact O-N 2.75Å; L194-R197 PolarHBondContact O-N 2.75Å; R197-S199 VanDerWaalsContact C-N 3.26Å; R197-S199 PolarHBondContact O-N 3.35Å; R197-F200 PolarHBondContact O-N 2.72Å; R197-D201 WeakPolarHBondContact O-CB 3.37Å; R197-D201 PolarHBondContact O-N 3.04Å; R197-Y217 WeakPolarHBondContact CA-OH 3.22Å; R197-Y217 HydrophobicContact CB-CE2 4.42Å; R197-Y217 WeakPolarHBondContact CB-OH 3.43Å; R197-Y217 HydrophobicContact CG-CE2 3.89Å; R197-Y217 WeakPolarHBondContact CG-OH 3.32Å; R197-E221 WeakPolarHBondContact CG-OE1 3.28Å; R197-E221 IonicContact CZ-OE1 3.48Å; R197-E221 IonicContact CZ-OE2 3.7Å; R197-E221 IonicContact NE-OE1 2.78Å; R197-E221 PolarHBondContact NE-OE1 3.3Å; R197-E221 IonicContact NE-OE2 3.24Å; R197-E221 VanDerWaalsContact NH2-CD 3.34Å; R197-E221 IonicContact NH2-OE1 3.57Å; R197-E221 PolarHBondContact NH2-OE1 3.02Å; R197-E221 IonicContact NH2-OE2 2.78Å; R197-E221 PolarHBondContact NH2-OE2 3.29Å; R197-N226 PolarHBondContact NH2-ND2 3.39Å; R197-N226 VanDerWaalsContact NH2-ND2 3.15Å
198	K	94.8	Very high	93.6	Very high	104 Å²	104	51.8 Å²	51.8	45%	0.452	25%	0.252	S	S	.	.	H	α-helix	trans	-54.5	-40.9	178.1	-167.1	-165.8	-178.7	-156.6	0	112.4	F167 L194 A196 V202	F167-K198 HydrophobicContact CE1-CD 4.34Å; F167-K198 HydrophobicContact CE2-CD 3.78Å; F167-K198 HydrophobicContact CE2-CG 3.95Å; F167-K198 HydrophobicContact CZ-CD 3.69Å; F167-K198 HydrophobicContact CZ-CG 3.96Å; L194-K198 PolarHBondContact O-N 2.89Å; A196-K198 PolarHBondContact O-N 3.14Å; K198-V202 VanDerWaalsContact O-CG2 3.29Å; K198-V202 WeakPolarHBondContact O-CG2 3.38Å; K198-V202 PolarHBondContact O-N 3.34Å
199	S	95.5	Very high	93.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-72.7	-45.1	-177.1	-55.8	0	0	0	0	112.7	F163 P195 A196 R197 F203	F163-S199 WeakPolarHBondContact CE2-OG 3.29Å; P195-S199 WeakPolarHBondContact O-CB 3.44Å; P195-S199 PolarHBondContact O-N 3.43Å; P195-S199 PolarHBondContact O-OG 3.41Å; A196-S199 PolarHBondContact O-N 2.88Å; R197-S199 VanDerWaalsContact C-N 3.26Å; R197-S199 PolarHBondContact O-N 3.35Å; S199-F203 WeakPolarHBondContact O-CB 3.4Å; S199-F203 PolarHBondContact O-N 2.94Å
200	F	97.1	Very high	93.9	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.009	22%	0.216	C	C	.	.	H	α-helix	trans	-64.5	-48.7	176.7	-83.4	-66.4	0	0	0	111.2	L184 A196 R197 V202 F203 F204 Y213 K216 Y217 M220	L184-F200 HydrophobicContact CD1-CD1 4.27Å; L184-F200 HydrophobicContact CD1-CE1 4.21Å; L184-F200 HydrophobicContact CD2-CD1 3.82Å; L184-F200 HydrophobicContact CD2-CD2 4.18Å; L184-F200 HydrophobicContact CD2-CE1 3.97Å; L184-F200 HydrophobicContact CD2-CE2 4.3Å; L184-F200 HydrophobicContact CD2-CG 3.93Å; L184-F200 HydrophobicContact CD2-CZ 4.19Å; A196-F200 HydrophobicContact CB-CD2 4.25Å; A196-F200 HydrophobicContact CB-CE2 4.33Å; A196-F200 VanDerWaalsContact O-CD2 3.29Å; A196-F200 WeakPolarHBondContact O-CD2 3.37Å; A196-F200 PolarHBondContact O-N 3.46Å; R197-F200 PolarHBondContact O-N 2.72Å; F200-V202 VanDerWaalsContact C-N 3.35Å; F200-V202 PolarHBondContact O-N 3.34Å; F200-F203 WeakPolarHBondContact O-CB 3.46Å; F200-F203 PolarHBondContact O-N 3.03Å; F200-F204 HydrophobicContact CB-CD2 4.32Å; F200-F204 HydrophobicContact CB-CE2 3.84Å; F200-F204 AromaticContact CD1-CE2 3.78Å; F200-F204 HydrophobicContact CD1-CE2 3.78Å; F200-F204 AromaticContact CD1-CZ 3.9Å; F200-F204 HydrophobicContact CD1-CZ 3.9Å; F200-F204 HydrophobicContact CG-CE2 4.24Å; F200-F204 WeakPolarHBondContact O-CD2 3.46Å; F200-F204 WeakPolarHBondContact O-CG 3.47Å; F200-F204 PolarHBondContact O-N 3.01Å; F200-Y213 HydrophobicContact CE1-CD1 4.18Å; F200-K216 HydrophobicContact CE1-CB 4.35Å; F200-K216 HydrophobicContact CZ-CB 4.08Å; F200-Y217 HydrophobicContact CB-CD1 3.49Å; F200-Y217 VanDerWaalsContact CB-CD1 3.49Å; F200-Y217 HydrophobicContact CB-CD2 4.3Å; F200-Y217 HydrophobicContact CB-CE1 3.64Å; F200-Y217 HydrophobicContact CB-CE2 4.48Å; F200-Y217 HydrophobicContact CB-CG 3.81Å; F200-Y217 HydrophobicContact CD1-CD1 4.48Å; F200-Y217 HydrophobicContact CD1-CG 4.29Å; F200-Y217 HydrophobicContact CD2-CD1 4.34Å; F200-Y217 AromaticContact CD2-CD2 3.78Å; F200-Y217 HydrophobicContact CD2-CD2 3.78Å; F200-Y217 HydrophobicContact CD2-CE2 4.41Å; F200-Y217 AromaticContact CD2-CG 3.74Å; F200-Y217 HydrophobicContact CD2-CG 3.74Å; F200-Y217 HydrophobicContact CE2-CD2 4.4Å; F200-Y217 HydrophobicContact CE2-CG 4.38Å; F200-Y217 AromaticContact CG-CD1 3.9Å; F200-Y217 HydrophobicContact CG-CD1 3.9Å; F200-Y217 HydrophobicContact CG-CD2 4.18Å; F200-Y217 HydrophobicContact CG-CE1 4.45Å; F200-Y217 AromaticContact CG-CG 3.7Å; F200-Y217 HydrophobicContact CG-CG 3.7Å; F200-M220 HydrophobicContact CE2-SD 4.49Å
201	D	95.7	Very high	94.1	Very high	50 Å²	50	41.2 Å²	41.2	27%	0.267	20%	0.202	S	C	.	.	H	α-helix	trans	-62.4	-39.7	-177.5	-71.2	-50.1	0	0	0	112.2	R197 Y217 R236	R197-D201 WeakPolarHBondContact O-CB 3.37Å; R197-D201 PolarHBondContact O-N 3.04Å; D201-Y217 PolarHBondContact OD2-OH 3.48Å; D201-R236 IonicContact OD1-CZ 2.76Å; D201-R236 VanDerWaalsContact OD1-CZ 3.25Å; D201-R236 IonicContact OD1-NH1 3.41Å; D201-R236 PolarHBondContact OD1-NH1 3.15Å; D201-R236 IonicContact OD1-NH2 3.38Å; D201-R236 PolarHBondContact OD1-NH2 3.5Å
202	V	95.1	Very high	94.4	Very high	53 Å²	53	39.2 Å²	39.2	32%	0.321	20%	0.2	S	C	.	.	H	α-helix	trans	-71.3	-37.9	174.1	178.7	0	0	0	0	112.2	F167 W180 K198 F200 F204 L205	F167-V202 HydrophobicContact CZ-CG2 4.43Å; W180-V202 HydrophobicContact CH2-CB 4.23Å; W180-V202 HydrophobicContact CH2-CG1 3.61Å; W180-V202 HydrophobicContact CZ2-CG1 4.3Å; W180-V202 HydrophobicContact CZ3-CG1 4.42Å; K198-V202 VanDerWaalsContact O-CG2 3.29Å; K198-V202 WeakPolarHBondContact O-CG2 3.38Å; K198-V202 PolarHBondContact O-N 3.34Å; F200-V202 VanDerWaalsContact C-N 3.35Å; F200-V202 PolarHBondContact O-N 3.34Å; V202-F204 VanDerWaalsContact C-N 3.34Å; V202-F204 PolarHBondContact O-N 3.15Å; V202-L205 WeakPolarHBondContact O-CB 3.42Å; V202-L205 PolarHBondContact O-N 2.93Å
203	F	95.9	Very high	94.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.2	-42.5	174.9	169.2	-99.7	0	0	0	112.1	F177 W180 L184 S199 F200 L205 R206 Y207 C210 Y213	F177-F203 HydrophobicContact CD2-CE2 4.16Å; F177-F203 AromaticContact CE2-CE2 3.87Å; F177-F203 HydrophobicContact CE2-CE2 3.87Å; F177-F203 AromaticContact CE2-CZ 3.88Å; F177-F203 HydrophobicContact CE2-CZ 3.88Å; W180-F203 HydrophobicContact CB-CD2 3.69Å; W180-F203 HydrophobicContact CB-CE2 3.94Å; W180-F203 HydrophobicContact CD2-CB 4.44Å; W180-F203 HydrophobicContact CD2-CD2 4.03Å; W180-F203 HydrophobicContact CE3-CB 4Å; W180-F203 HydrophobicContact CE3-CD2 4.28Å; W180-F203 AromaticContact CG-CD2 3.79Å; W180-F203 HydrophobicContact CG-CD2 3.79Å; W180-F203 HydrophobicContact CG-CE2 4.37Å; W180-F203 HydrophobicContact CZ3-CB 4.33Å; L184-F203 HydrophobicContact CD1-CB 4.17Å; L184-F203 HydrophobicContact CD1-CD1 3.93Å; L184-F203 HydrophobicContact CD1-CD2 3.88Å; L184-F203 HydrophobicContact CD1-CE1 4.24Å; L184-F203 HydrophobicContact CD1-CE2 4.18Å; L184-F203 HydrophobicContact CD1-CG 3.73Å; L184-F203 HydrophobicContact CD1-CZ 4.35Å; S199-F203 WeakPolarHBondContact O-CB 3.4Å; S199-F203 PolarHBondContact O-N 2.94Å; F200-F203 WeakPolarHBondContact O-CB 3.46Å; F200-F203 PolarHBondContact O-N 3.03Å; F203-L205 VanDerWaalsContact C-N 3.28Å; F203-L205 PolarHBondContact O-N 3.47Å; F203-R206 PolarHBondContact O-N 2.91Å; F203-Y207 AromaticContact CD2-CD2 3.65Å; F203-Y207 HydrophobicContact CD2-CD2 3.65Å; F203-Y207 HydrophobicContact CD2-CE2 4.47Å; F203-Y207 HydrophobicContact CD2-CG 4.44Å; F203-Y207 AromaticContact CE2-CD2 3.47Å; F203-Y207 HydrophobicContact CE2-CD2 3.47Å; F203-Y207 VanDerWaalsContact CE2-CD2 3.47Å; F203-Y207 HydrophobicContact CE2-CE2 4.33Å; F203-Y207 AromaticContact CE2-CG 3.96Å; F203-Y207 HydrophobicContact CE2-CG 3.96Å; F203-Y207 HydrophobicContact CZ-CD2 4.22Å; F203-Y207 HydrophobicContact CZ-CG 4.27Å; F203-Y207 PolarHBondContact O-N 3.12Å; F203-C210 HydrophobicContact CE1-CB 3.94Å; F203-C210 HydrophobicContact CZ-CB 3.99Å; F203-Y213 HydrophobicContact CE1-CD1 4.2Å; F203-Y213 HydrophobicContact CE1-CD2 4.24Å; F203-Y213 AromaticContact CE1-CG 3.83Å; F203-Y213 HydrophobicContact CE1-CG 3.83Å; F203-Y213 HydrophobicContact CZ-CD1 4.32Å; F203-Y213 HydrophobicContact CZ-CD2 4.16Å; F203-Y213 HydrophobicContact CZ-CE2 4.42Å; F203-Y213 HydrophobicContact CZ-CG 4.09Å
204	F	95.9	Very high	95.1	Very high	12 Å²	12	38.4 Å²	38.4	5%	0.053	19%	0.192	C	C	.	.	H	α-helix	trans	-71.1	-16.4	179.7	-65.3	-53.7	0	0	0	114.5	F200 V202 R206 P208 W214 Y217	F200-F204 HydrophobicContact CB-CD2 4.32Å; F200-F204 HydrophobicContact CB-CE2 3.84Å; F200-F204 AromaticContact CD1-CE2 3.78Å; F200-F204 HydrophobicContact CD1-CE2 3.78Å; F200-F204 AromaticContact CD1-CZ 3.9Å; F200-F204 HydrophobicContact CD1-CZ 3.9Å; F200-F204 HydrophobicContact CG-CE2 4.24Å; F200-F204 WeakPolarHBondContact O-CD2 3.46Å; F200-F204 WeakPolarHBondContact O-CG 3.47Å; F200-F204 PolarHBondContact O-N 3.01Å; V202-F204 VanDerWaalsContact C-N 3.34Å; V202-F204 PolarHBondContact O-N 3.15Å; F204-R206 PolarHBondContact O-N 3.06Å; F204-P208 WeakPolarHBondContact O-CB 3.5Å; F204-P208 VanDerWaalsContact O-CD 3.27Å; F204-P208 WeakPolarHBondContact O-CD 3.4Å; F204-W214 HydrophobicContact CB-CH2 3.9Å; F204-W214 HydrophobicContact CB-CZ2 3.6Å; F204-W214 AromaticContact CD1-CD2 3.95Å; F204-W214 HydrophobicContact CD1-CD2 3.95Å; F204-W214 AromaticContact CD1-CE2 3.41Å; F204-W214 VanDerWaalsContact CD1-CE2 3.41Å; F204-W214 HydrophobicContact CD1-CG 4.32Å; F204-W214 HydrophobicContact CD1-CH2 4.43Å; F204-W214 AromaticContact CD1-CZ2 3.71Å; F204-W214 HydrophobicContact CD1-CZ2 3.71Å; F204-W214 AromaticContact CD1-NE1 3.47Å; F204-W214 HydrophobicContact CD2-CD2 4.01Å; F204-W214 AromaticContact CD2-CE2 3.94Å; F204-W214 AromaticContact CD2-CE3 3.9Å; F204-W214 HydrophobicContact CD2-CE3 3.9Å; F204-W214 AromaticContact CD2-CH2 3.69Å; F204-W214 HydrophobicContact CD2-CH2 3.69Å; F204-W214 AromaticContact CD2-CZ2 3.81Å; F204-W214 HydrophobicContact CD2-CZ2 3.81Å; F204-W214 AromaticContact CD2-CZ3 3.73Å; F204-W214 HydrophobicContact CD2-CZ3 3.73Å; F204-W214 AromaticContact CE1-CD1 3.62Å; F204-W214 AromaticContact CE1-CD2 3.73Å; F204-W214 HydrophobicContact CE1-CD2 3.73Å; F204-W214 AromaticContact CE1-CE2 3.67Å; F204-W214 HydrophobicContact CE1-CE3 4.49Å; F204-W214 AromaticContact CE1-CG 3.73Å; F204-W214 HydrophobicContact CE1-CG 3.73Å; F204-W214 HydrophobicContact CE1-CZ2 4.37Å; F204-W214 AromaticContact CE1-NE1 3.58Å; F204-W214 AromaticContact CE2-CD2 3.82Å; F204-W214 HydrophobicContact CE2-CD2 3.82Å; F204-W214 AromaticContact CE2-CE3 3.74Å; F204-W214 HydrophobicContact CE2-CE3 3.74Å; F204-W214 HydrophobicContact CE2-CG 4.39Å; F204-W214 HydrophobicContact CE2-CH2 4.38Å; F204-W214 HydrophobicContact CE2-CZ2 4.47Å; F204-W214 HydrophobicContact CE2-CZ3 4.02Å; F204-W214 HydrophobicContact CG-CD2 4.1Å; F204-W214 AromaticContact CG-CE2 3.59Å; F204-W214 HydrophobicContact CG-CE3 4.39Å; F204-W214 AromaticContact CG-CH2 3.75Å; F204-W214 HydrophobicContact CG-CH2 3.75Å; F204-W214 AromaticContact CG-CZ2 3.42Å; F204-W214 HydrophobicContact CG-CZ2 3.42Å; F204-W214 VanDerWaalsContact CG-CZ2 3.42Å; F204-W214 HydrophobicContact CG-CZ3 4.23Å; F204-W214 HydrophobicContact CZ-CB 4.33Å; F204-W214 AromaticContact CZ-CD2 3.69Å; F204-W214 HydrophobicContact CZ-CD2 3.69Å; F204-W214 HydrophobicContact CZ-CE3 4.07Å; F204-W214 AromaticContact CZ-CG 3.81Å; F204-W214 HydrophobicContact CZ-CG 3.81Å; F204-Y217 AromaticContact CE2-CD1 3.91Å; F204-Y217 HydrophobicContact CE2-CD1 3.91Å
205	L	92.6	Very high	95.4	Very high	120 Å²	120	36.3 Å²	36.3	63%	0.628	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-18	168.1	-61.4	176.9	0	0	0	112.8	V202 F203	V202-L205 WeakPolarHBondContact O-CB 3.42Å; V202-L205 PolarHBondContact O-N 2.93Å; F203-L205 VanDerWaalsContact C-N 3.28Å; F203-L205 PolarHBondContact O-N 3.47Å
206	R	89.9	Confident	95.6	Very high	73 Å²	73	38.7 Å²	38.7	28%	0.275	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-35.7	-177	-51.5	-58.8	-72.6	-129.2	-7.4	112.8	E175 F203 F204 P208	E175-R206 IonicContact OE1-NH2 3.63Å; E175-R206 PolarHBondContact OE1-NH2 3.06Å; F203-R206 PolarHBondContact O-N 2.91Å; F204-R206 PolarHBondContact O-N 3.06Å; R206-P208 WeakPolarHBondContact O-CD 3.34Å
207	Y	94.5	Very high	95.8	Very high	13 Å²	13	38.9 Å²	38.9	5%	0.051	19%	0.187	C	C	.	.			trans	-122.8	51.3	-178.5	-56.3	-70	0	0	0	113	E175 F177 W180 F203 Y209 C210 F430 V432	E175-Y207 WeakPolarHBondContact CA-OH 3.44Å; E175-Y207 PolarHBondContact O-OH 3.15Å; E175-Y207 VanDerWaalsContact O-OH 3.06Å; F177-Y207 HydrophobicContact CD2-CD1 4.09Å; F177-Y207 HydrophobicContact CD2-CD2 4.13Å; F177-Y207 HydrophobicContact CD2-CE1 4.01Å; F177-Y207 HydrophobicContact CD2-CE2 4.05Å; F177-Y207 HydrophobicContact CD2-CG 4.13Å; F177-Y207 AromaticContact CD2-CZ 3.98Å; F177-Y207 HydrophobicContact CE2-CD1 4.43Å; F177-Y207 HydrophobicContact CE2-CG 4.32Å; W180-Y207 AromaticContact CD1-CE2 3.76Å; F203-Y207 AromaticContact CD2-CD2 3.65Å; F203-Y207 HydrophobicContact CD2-CD2 3.65Å; F203-Y207 HydrophobicContact CD2-CE2 4.47Å; F203-Y207 HydrophobicContact CD2-CG 4.44Å; F203-Y207 AromaticContact CE2-CD2 3.47Å; F203-Y207 HydrophobicContact CE2-CD2 3.47Å; F203-Y207 VanDerWaalsContact CE2-CD2 3.47Å; F203-Y207 HydrophobicContact CE2-CE2 4.33Å; F203-Y207 AromaticContact CE2-CG 3.96Å; F203-Y207 HydrophobicContact CE2-CG 3.96Å; F203-Y207 HydrophobicContact CZ-CD2 4.22Å; F203-Y207 HydrophobicContact CZ-CG 4.27Å; F203-Y207 PolarHBondContact O-N 3.12Å; Y207-Y209 PolarHBondContact O-N 3.35Å; Y207-Y209 VanDerWaalsContact O-N 3.1Å; Y207-C210 WeakPolarHBondContact O-CB 3.49Å; Y207-C210 PolarHBondContact O-N 3.01Å; Y207-C210 VanDerWaalsContact O-N 3.14Å; Y207-F430 AromaticContact CD1-CE1 3.84Å; Y207-F430 HydrophobicContact CD1-CE1 3.84Å; Y207-F430 AromaticContact CD1-CZ 3.96Å; Y207-F430 HydrophobicContact CD1-CZ 3.96Å; Y207-F430 HydrophobicContact CE1-CZ 4.44Å; Y207-V432 HydrophobicContact CD1-CG2 4.04Å; Y207-V432 HydrophobicContact CE1-CG2 3.59Å
208	P	95.7	Very high	95.8	Very high	13 Å²	13	35.7 Å²	35.7	8%	0.084	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.1	-177.1	24.7	-32.3	0	0	0	112.8	F204 R206 C210 W214 A240 I241 I502	F204-P208 WeakPolarHBondContact O-CB 3.5Å; F204-P208 VanDerWaalsContact O-CD 3.27Å; F204-P208 WeakPolarHBondContact O-CD 3.4Å; R206-P208 WeakPolarHBondContact O-CD 3.34Å; P208-C210 VanDerWaalsContact C-N 3.26Å; P208-C210 PolarHBondContact O-N 3.34Å; P208-W214 PolarHBondContact O-NE1 2.94Å; P208-A240 HydrophobicContact CB-CB 4.11Å; P208-I241 WeakPolarHBondContact O-CD1 3.2Å; P208-I241 VanDerWaalsContact O-CG1 3.24Å; P208-I241 WeakPolarHBondContact O-CG1 3.4Å; P208-I502 HydrophobicContact CG-CG2 3.67Å
209	Y	95.9	Very high	95.9	Very high	9 Å²	9	33 Å²	33	4%	0.035	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	2.2	-179.6	-68.5	-4.5	0	0	0	114.8	Y207 Y211 A240 I241 L467 I468 A471 K498 H503	Y207-Y209 PolarHBondContact O-N 3.35Å; Y207-Y209 VanDerWaalsContact O-N 3.1Å; Y209-Y211 VanDerWaalsContact C-N 3.35Å; Y209-Y211 PolarHBondContact O-N 3.27Å; Y209-Y211 VanDerWaalsContact O-N 3.07Å; Y209-A240 WeakPolarHBondContact CE1-O 3.37Å; Y209-I241 HydrophobicContact CD1-CG1 4.23Å; Y209-I241 HydrophobicContact CD1-CG2 4.42Å; Y209-L467 WeakPolarHBondContact CE2-O 3.43Å; Y209-I468 HydrophobicContact CD2-CB 4.39Å; Y209-I468 HydrophobicContact CD2-CG1 4.2Å; Y209-I468 HydrophobicContact CE2-CB 4.47Å; Y209-I468 HydrophobicContact CE2-CG1 4.02Å; Y209-A471 HydrophobicContact CD2-CB 3.98Å; Y209-A471 HydrophobicContact CE2-CB 4.15Å; Y209-K498 WeakPolarHBondContact OH-CE 3.41Å; Y209-K498 PolarHBondContact OH-NZ 3.2Å; Y209-H503 AromaticContact CD2-CE1 3.71Å; Y209-H503 AromaticContact CE2-CE1 3.7Å; Y209-H503 AromaticContact CE2-NE2 3.86Å; Y209-H503 AromaticContact CG-CE1 3.97Å; Y209-H503 AromaticContact CZ-CE1 3.95Å; Y209-H503 AromaticContact CZ-NE2 3.8Å
210	C	95.7	Very high	95.9	Very high	11 Å²	11	33.2 Å²	33.2	7%	0.074	17%	0.167	C	C	.	.			trans	-82.8	66.9	177.5	-82.3	0	0	0	0	113	F203 Y207 P208 G212 Y213 F430	F203-C210 HydrophobicContact CE1-CB 3.94Å; F203-C210 HydrophobicContact CZ-CB 3.99Å; Y207-C210 WeakPolarHBondContact O-CB 3.49Å; Y207-C210 PolarHBondContact O-N 3.01Å; Y207-C210 VanDerWaalsContact O-N 3.14Å; P208-C210 VanDerWaalsContact C-N 3.26Å; P208-C210 PolarHBondContact O-N 3.34Å; C210-G212 VanDerWaalsContact C-N 3.26Å; C210-G212 PolarHBondContact O-N 2.97Å; C210-Y213 HydrophobicContact CB-CD2 3.86Å; C210-Y213 WeakPolarHBondContact O-CB 2.83Å; C210-Y213 PolarHBondContact O-N 3.03Å; C210-F430 VanDerWaalsContact SG-CD1 3.56Å
211	Y	96	Very high	95.9	Very high	60 Å²	60	33.1 Å²	33.1	24%	0.235	17%	0.166	C	C	.	.	H	α-helix	trans	-49.8	-37.4	-173.9	81.6	-88.1	0	0	0	115.6	Y209 Y213 W214 K215 S244 D246	Y209-Y211 VanDerWaalsContact C-N 3.35Å; Y209-Y211 PolarHBondContact O-N 3.27Å; Y209-Y211 VanDerWaalsContact O-N 3.07Å; Y211-Y213 PolarHBondContact O-N 3.26Å; Y211-W214 WeakPolarHBondContact O-CB 3.44Å; Y211-W214 PolarHBondContact O-N 3.45Å; Y211-W214 VanDerWaalsContact O-N 3.15Å; Y211-K215 PolarHBondContact O-N 3.18Å; Y211-K215 VanDerWaalsContact O-N 3.13Å; Y211-S244 WeakPolarHBondContact CB-OG 3.47Å; Y211-D246 HydrophobicContact CD2-CB 3.95Å; Y211-D246 HydrophobicContact CE2-CB 3.31Å; Y211-D246 PolarHBondContact OH-OD2 2.99Å
212	G	96.8	Very high	95.8	Very high	37 Å²	37	33.5 Å²	33.5	38%	0.381	17%	0.165	S	C	.	.	H	α-helix	trans	-62	-25.1	177.6	0	0	0	0	0	114.2	C210 K216	C210-G212 VanDerWaalsContact C-N 3.26Å; C210-G212 PolarHBondContact O-N 2.97Å; G212-K216 PolarHBondContact O-N 3.02Å
213	Y	97.6	Very high	95.8	Very high	43 Å²	43	37.5 Å²	37.5	17%	0.169	18%	0.179	C	C	.	.	H	α-helix	trans	-83	-35.1	174.8	-71.8	-97.1	0	0	0	111.9	F177 V181 L184 F200 F203 C210 Y211 K215 K216 Y217	F177-Y213 HydrophobicContact CZ-CE2 4.22Å; V181-Y213 VanDerWaalsContact CG2-OH 3.25Å; V181-Y213 WeakPolarHBondContact CG2-OH 3.06Å; L184-Y213 HydrophobicContact CB-CE1 4.35Å; L184-Y213 HydrophobicContact CD1-CD1 3.66Å; L184-Y213 HydrophobicContact CD1-CE1 3.85Å; F200-Y213 HydrophobicContact CE1-CD1 4.18Å; F203-Y213 HydrophobicContact CE1-CD1 4.2Å; F203-Y213 HydrophobicContact CE1-CD2 4.24Å; F203-Y213 AromaticContact CE1-CG 3.83Å; F203-Y213 HydrophobicContact CE1-CG 3.83Å; F203-Y213 HydrophobicContact CZ-CD1 4.32Å; F203-Y213 HydrophobicContact CZ-CD2 4.16Å; F203-Y213 HydrophobicContact CZ-CE2 4.42Å; F203-Y213 HydrophobicContact CZ-CG 4.09Å; C210-Y213 HydrophobicContact CB-CD2 3.86Å; C210-Y213 WeakPolarHBondContact O-CB 2.83Å; C210-Y213 PolarHBondContact O-N 3.03Å; Y211-Y213 PolarHBondContact O-N 3.26Å; Y213-K215 VanDerWaalsContact C-N 3.26Å; Y213-K215 PolarHBondContact O-N 3.43Å; Y213-K216 WeakPolarHBondContact O-CB 3.29Å; Y213-K216 PolarHBondContact O-N 2.92Å; Y213-K216 VanDerWaalsContact O-N 3.15Å; Y213-Y217 PolarHBondContact O-N 3.41Å
214	W	98.3	Very high	95.7	Very high	11 Å²	11	40.5 Å²	40.5	4%	0.042	19%	0.193	C	C	.	.	H	α-helix	trans	-57.6	-44.6	172	-75.9	110.1	0	0	0	110.4	F204 P208 Y211 Y217 A218 V233 R236 A240 L247	F204-W214 HydrophobicContact CB-CH2 3.9Å; F204-W214 HydrophobicContact CB-CZ2 3.6Å; F204-W214 AromaticContact CD1-CD2 3.95Å; F204-W214 HydrophobicContact CD1-CD2 3.95Å; F204-W214 AromaticContact CD1-CE2 3.41Å; F204-W214 VanDerWaalsContact CD1-CE2 3.41Å; F204-W214 HydrophobicContact CD1-CG 4.32Å; F204-W214 HydrophobicContact CD1-CH2 4.43Å; F204-W214 AromaticContact CD1-CZ2 3.71Å; F204-W214 HydrophobicContact CD1-CZ2 3.71Å; F204-W214 AromaticContact CD1-NE1 3.47Å; F204-W214 HydrophobicContact CD2-CD2 4.01Å; F204-W214 AromaticContact CD2-CE2 3.94Å; F204-W214 AromaticContact CD2-CE3 3.9Å; F204-W214 HydrophobicContact CD2-CE3 3.9Å; F204-W214 AromaticContact CD2-CH2 3.69Å; F204-W214 HydrophobicContact CD2-CH2 3.69Å; F204-W214 AromaticContact CD2-CZ2 3.81Å; F204-W214 HydrophobicContact CD2-CZ2 3.81Å; F204-W214 AromaticContact CD2-CZ3 3.73Å; F204-W214 HydrophobicContact CD2-CZ3 3.73Å; F204-W214 AromaticContact CE1-CD1 3.62Å; F204-W214 AromaticContact CE1-CD2 3.73Å; F204-W214 HydrophobicContact CE1-CD2 3.73Å; F204-W214 AromaticContact CE1-CE2 3.67Å; F204-W214 HydrophobicContact CE1-CE3 4.49Å; F204-W214 AromaticContact CE1-CG 3.73Å; F204-W214 HydrophobicContact CE1-CG 3.73Å; F204-W214 HydrophobicContact CE1-CZ2 4.37Å; F204-W214 AromaticContact CE1-NE1 3.58Å; F204-W214 AromaticContact CE2-CD2 3.82Å; F204-W214 HydrophobicContact CE2-CD2 3.82Å; F204-W214 AromaticContact CE2-CE3 3.74Å; F204-W214 HydrophobicContact CE2-CE3 3.74Å; F204-W214 HydrophobicContact CE2-CG 4.39Å; F204-W214 HydrophobicContact CE2-CH2 4.38Å; F204-W214 HydrophobicContact CE2-CZ2 4.47Å; F204-W214 HydrophobicContact CE2-CZ3 4.02Å; F204-W214 HydrophobicContact CG-CD2 4.1Å; F204-W214 AromaticContact CG-CE2 3.59Å; F204-W214 HydrophobicContact CG-CE3 4.39Å; F204-W214 AromaticContact CG-CH2 3.75Å; F204-W214 HydrophobicContact CG-CH2 3.75Å; F204-W214 AromaticContact CG-CZ2 3.42Å; F204-W214 HydrophobicContact CG-CZ2 3.42Å; F204-W214 VanDerWaalsContact CG-CZ2 3.42Å; F204-W214 HydrophobicContact CG-CZ3 4.23Å; F204-W214 HydrophobicContact CZ-CB 4.33Å; F204-W214 AromaticContact CZ-CD2 3.69Å; F204-W214 HydrophobicContact CZ-CD2 3.69Å; F204-W214 HydrophobicContact CZ-CE3 4.07Å; F204-W214 AromaticContact CZ-CG 3.81Å; F204-W214 HydrophobicContact CZ-CG 3.81Å; P208-W214 PolarHBondContact O-NE1 2.94Å; Y211-W214 WeakPolarHBondContact O-CB 3.44Å; Y211-W214 PolarHBondContact O-N 3.45Å; Y211-W214 VanDerWaalsContact O-N 3.15Å; W214-Y217 PolarHBondContact O-N 3Å; W214-A218 PolarHBondContact O-N 3.36Å; W214-V233 HydrophobicContact CE3-CG1 4.02Å; W214-V233 WeakPolarHBondContact O-CG1 3.38Å; W214-R236 HydrophobicContact CH2-CB 3.94Å; W214-R236 HydrophobicContact CZ3-CB 3.81Å; W214-A240 HydrophobicContact CZ2-CB 3.94Å; W214-L247 HydrophobicContact CB-CD1 4.1Å; W214-L247 HydrophobicContact CB-CD2 4.36Å
215	K	97.4	Very high	95.6	Very high	61 Å²	61	42.6 Å²	42.6	27%	0.265	22%	0.217	S	C	.	.	H	α-helix	trans	-58.5	-48.7	172.4	-164.4	-145.4	-175.8	156.5	0	112.5	Y211 Y213 Y217 A218 D219 Y234 H250	Y211-K215 PolarHBondContact O-N 3.18Å; Y211-K215 VanDerWaalsContact O-N 3.13Å; Y213-K215 VanDerWaalsContact C-N 3.26Å; Y213-K215 PolarHBondContact O-N 3.43Å; K215-Y217 VanDerWaalsContact C-N 3.29Å; K215-Y217 PolarHBondContact O-N 3.34Å; K215-A218 PolarHBondContact O-N 2.98Å; K215-D219 WeakPolarHBondContact CD-OD2 3.5Å; K215-D219 WeakPolarHBondContact CE-OD2 3.48Å; K215-D219 WeakPolarHBondContact O-CB 3.48Å; K215-D219 PolarHBondContact O-N 3.13Å; K215-Y234 HydrophobicContact CG-CE1 4.31Å; K215-Y234 WeakPolarHBondContact CG-OH 3.19Å; K215-H250 WeakPolarHBondContact CD-CD2 3.4Å; K215-H250 VanDerWaalsContact CE-CD2 3.44Å; K215-H250 WeakPolarHBondContact CE-CD2 3.38Å; K215-H250 HydrophobicContact CG-CB 4.27Å; K215-H250 PolarHBondContact NZ-CE1 2.71Å; K215-H250 VanDerWaalsContact NZ-CE1 3.28Å; K215-H250 PolarHBondContact NZ-NE2 3.39Å
216	K	97.1	Very high	95.7	Very high	72 Å²	72	39.2 Å²	39.2	31%	0.313	20%	0.2	S	C	.	.	H	α-helix	trans	-55.9	-42.2	177.8	-82	-172	167.5	-156.2	0	112.8	E188 F200 G212 Y213 M220	E188-K216 IonicContact OE1-NZ 3.8Å; E188-K216 WeakPolarHBondContact OE2-CE 3.03Å; E188-K216 IonicContact OE2-NZ 2.66Å; E188-K216 PolarHBondContact OE2-NZ 2.91Å; F200-K216 HydrophobicContact CE1-CB 4.35Å; F200-K216 HydrophobicContact CZ-CB 4.08Å; G212-K216 PolarHBondContact O-N 3.02Å; Y213-K216 WeakPolarHBondContact O-CB 3.29Å; Y213-K216 PolarHBondContact O-N 2.92Å; Y213-K216 VanDerWaalsContact O-N 3.15Å; K216-M220 WeakPolarHBondContact O-CB 3.3Å; K216-M220 PolarHBondContact O-N 2.97Å
217	Y	97.8	Very high	95.9	Very high	6 Å²	6	39 Å²	39	2%	0.024	20%	0.204	C	C	.	.	H	α-helix	trans	-64.8	-48	178.6	-175.1	-168.1	0	0	0	110.8	R197 F200 D201 F204 Y213 W214 K215 M220 E221 V233	R197-Y217 WeakPolarHBondContact CA-OH 3.22Å; R197-Y217 HydrophobicContact CB-CE2 4.42Å; R197-Y217 WeakPolarHBondContact CB-OH 3.43Å; R197-Y217 HydrophobicContact CG-CE2 3.89Å; R197-Y217 WeakPolarHBondContact CG-OH 3.32Å; F200-Y217 HydrophobicContact CB-CD1 3.49Å; F200-Y217 VanDerWaalsContact CB-CD1 3.49Å; F200-Y217 HydrophobicContact CB-CD2 4.3Å; F200-Y217 HydrophobicContact CB-CE1 3.64Å; F200-Y217 HydrophobicContact CB-CE2 4.48Å; F200-Y217 HydrophobicContact CB-CG 3.81Å; F200-Y217 HydrophobicContact CD1-CD1 4.48Å; F200-Y217 HydrophobicContact CD1-CG 4.29Å; F200-Y217 HydrophobicContact CD2-CD1 4.34Å; F200-Y217 AromaticContact CD2-CD2 3.78Å; F200-Y217 HydrophobicContact CD2-CD2 3.78Å; F200-Y217 HydrophobicContact CD2-CE2 4.41Å; F200-Y217 AromaticContact CD2-CG 3.74Å; F200-Y217 HydrophobicContact CD2-CG 3.74Å; F200-Y217 HydrophobicContact CE2-CD2 4.4Å; F200-Y217 HydrophobicContact CE2-CG 4.38Å; F200-Y217 AromaticContact CG-CD1 3.9Å; F200-Y217 HydrophobicContact CG-CD1 3.9Å; F200-Y217 HydrophobicContact CG-CD2 4.18Å; F200-Y217 HydrophobicContact CG-CE1 4.45Å; F200-Y217 AromaticContact CG-CG 3.7Å; F200-Y217 HydrophobicContact CG-CG 3.7Å; D201-Y217 PolarHBondContact OD2-OH 3.48Å; F204-Y217 AromaticContact CE2-CD1 3.91Å; F204-Y217 HydrophobicContact CE2-CD1 3.91Å; Y213-Y217 PolarHBondContact O-N 3.41Å; W214-Y217 PolarHBondContact O-N 3Å; K215-Y217 VanDerWaalsContact C-N 3.29Å; K215-Y217 PolarHBondContact O-N 3.34Å; Y217-M220 WeakPolarHBondContact O-CB 3.46Å; Y217-M220 PolarHBondContact O-N 3.24Å; Y217-M220 VanDerWaalsContact O-N 3.12Å; Y217-E221 HydrophobicContact CD2-CG 4.24Å; Y217-E221 HydrophobicContact CE2-CG 4.16Å; Y217-E221 PolarHBondContact O-N 3.41Å; Y217-V233 HydrophobicContact CD1-CB 4.3Å; Y217-V233 HydrophobicContact CD1-CG1 3.49Å; Y217-V233 VanDerWaalsContact CD1-CG1 3.49Å; Y217-V233 HydrophobicContact CD1-CG2 3.69Å; Y217-V233 HydrophobicContact CD2-CG1 4.48Å; Y217-V233 HydrophobicContact CD2-CG2 4.15Å; Y217-V233 HydrophobicContact CE1-CG1 4.3Å; Y217-V233 HydrophobicContact CE1-CG2 3.7Å; Y217-V233 HydrophobicContact CE2-CG2 4.08Å; Y217-V233 HydrophobicContact CG-CB 4.49Å; Y217-V233 HydrophobicContact CG-CG1 3.64Å; Y217-V233 HydrophobicContact CG-CG2 3.97Å
218	A	97.5	Very high	95.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.8	-45.2	176.4	0	0	0	0	0	112.2	W214 K215 M220 E221 K222 S230 V233 Y234	W214-A218 PolarHBondContact O-N 3.36Å; K215-A218 PolarHBondContact O-N 2.98Å; A218-M220 PolarHBondContact O-N 3.07Å; A218-E221 PolarHBondContact O-N 3.04Å; A218-E221 VanDerWaalsContact O-N 3.17Å; A218-K222 WeakPolarHBondContact O-CB 2.99Å; A218-K222 PolarHBondContact O-N 3.41Å; A218-S230 PolarHBondContact O-OG 2.96Å; A218-V233 HydrophobicContact CB-CB 4.11Å; A218-V233 HydrophobicContact CB-CG1 3.85Å; A218-Y234 HydrophobicContact CB-CD1 4.47Å; A218-Y234 HydrophobicContact CB-CD2 3.56Å; A218-Y234 HydrophobicContact CB-CE1 4.27Å; A218-Y234 HydrophobicContact CB-CE2 3.3Å; A218-Y234 HydrophobicContact CB-CG 4.13Å
219	D	96.1	Very high	96	Very high	47 Å²	47	48.3 Å²	48.3	25%	0.251	25%	0.25	S	S	.	.	H	α-helix	trans	-60	-31.2	174.3	-73.1	-17.3	0	0	0	111.8	K215 K223 Y234	K215-D219 WeakPolarHBondContact CD-OD2 3.5Å; K215-D219 WeakPolarHBondContact CE-OD2 3.48Å; K215-D219 WeakPolarHBondContact O-CB 3.48Å; K215-D219 PolarHBondContact O-N 3.13Å; D219-K223 WeakPolarHBondContact O-CD 3.45Å; D219-K223 WeakPolarHBondContact O-CG 3.17Å; D219-K223 PolarHBondContact O-N 3.01Å; D219-K223 VanDerWaalsContact O-N 3.08Å; D219-Y234 PolarHBondContact OD1-OH 3.17Å
220	M	95.1	Very high	96	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.02	25%	0.248	C	C	.	.	H	α-helix	trans	-73.3	-41.2	174.7	-171.3	172.1	-176.6	0	0	112.5	V187 A196 F200 K216 Y217 A218 K223 H224	V187-M220 WeakPolarHBondContact O-CE 3.46Å; A196-M220 HydrophobicContact CB-CE 3.67Å; A196-M220 HydrophobicContact CB-SD 3.54Å; A196-M220 VanDerWaalsContact CB-SD 3.54Å; F200-M220 HydrophobicContact CE2-SD 4.49Å; K216-M220 WeakPolarHBondContact O-CB 3.3Å; K216-M220 PolarHBondContact O-N 2.97Å; Y217-M220 WeakPolarHBondContact O-CB 3.46Å; Y217-M220 PolarHBondContact O-N 3.24Å; Y217-M220 VanDerWaalsContact O-N 3.12Å; A218-M220 PolarHBondContact O-N 3.07Å; M220-K223 PolarHBondContact O-N 3.18Å; M220-H224 PolarHBondContact O-N 3.28Å; M220-H224 PolarHBondContact O-ND1 2.83Å
221	E	96.4	Very high	96	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.8	-43	172.3	-70	-65	167.3	0	0	111.6	L193 R197 Y217 A218 K223 H224 G225 N226 V229	L193-E221 WeakPolarHBondContact CD1-OE1 3.04Å; R197-E221 WeakPolarHBondContact CG-OE1 3.28Å; R197-E221 IonicContact CZ-OE1 3.48Å; R197-E221 IonicContact CZ-OE2 3.7Å; R197-E221 IonicContact NE-OE1 2.78Å; R197-E221 PolarHBondContact NE-OE1 3.3Å; R197-E221 IonicContact NE-OE2 3.24Å; R197-E221 VanDerWaalsContact NH2-CD 3.34Å; R197-E221 IonicContact NH2-OE1 3.57Å; R197-E221 PolarHBondContact NH2-OE1 3.02Å; R197-E221 IonicContact NH2-OE2 2.78Å; R197-E221 PolarHBondContact NH2-OE2 3.29Å; Y217-E221 HydrophobicContact CD2-CG 4.24Å; Y217-E221 HydrophobicContact CE2-CG 4.16Å; Y217-E221 PolarHBondContact O-N 3.41Å; A218-E221 PolarHBondContact O-N 3.04Å; A218-E221 VanDerWaalsContact O-N 3.17Å; E221-K223 PolarHBondContact O-N 2.97Å; E221-H224 CarbonylContact O-C 3.46Å; E221-H224 WeakPolarHBondContact O-CA 3.38Å; E221-H224 PolarHBondContact O-N 2.89Å; E221-G225 PolarHBondContact O-N 2.76Å; E221-N226 HydrophobicContact CB-CB 4.27Å; E221-N226 PolarHBondContact O-N 3.33Å; E221-N226 VanDerWaalsContact OE2-CB 3.25Å; E221-N226 WeakPolarHBondContact OE2-CB 3.4Å; E221-N226 PolarHBondContact OE2-ND2 2.76Å; E221-V229 HydrophobicContact CB-CB 4.46Å; E221-V229 HydrophobicContact CG-CB 4.17Å; E221-V229 HydrophobicContact CG-CG1 3.86Å
222	K	95.4	Very high	96	Very high	58 Å²	58	51.3 Å²	51.3	25%	0.252	27%	0.265	S	S	.	.	H	α-helix	trans	-59.4	-42.7	175.4	-170.7	-178.3	-175.9	-179.9	0	112.2	A218 H224 G225 L227 F254 E257	A218-K222 WeakPolarHBondContact O-CB 2.99Å; A218-K222 PolarHBondContact O-N 3.41Å; K222-H224 PolarHBondContact O-N 3.35Å; K222-G225 PolarHBondContact O-N 2.68Å; K222-L227 HydrophobicContact CG-CD2 4Å; K222-F254 HydrophobicContact CD-CD2 4.06Å; K222-F254 HydrophobicContact CD-CE2 4.12Å; K222-F254 HydrophobicContact CG-CE2 4.34Å; K222-E257 IonicContact NZ-OE2 2.76Å; K222-E257 PolarHBondContact NZ-OE2 2.9Å
223	K	94.4	Very high	96.1	Very high	137 Å²	137	49.5 Å²	49.5	60%	0.596	25%	0.247	S	C	*	.	H	α-helix	trans	-59.7	-27.9	173.9	-74.1	164.7	-162.8	168.9	0	113.3	D219 M220 E221	D219-K223 WeakPolarHBondContact O-CD 3.45Å; D219-K223 WeakPolarHBondContact O-CG 3.17Å; D219-K223 PolarHBondContact O-N 3.01Å; D219-K223 VanDerWaalsContact O-N 3.08Å; M220-K223 PolarHBondContact O-N 3.18Å; E221-K223 PolarHBondContact O-N 2.97Å
224	H	93.9	Very high	96.1	Very high	64 Å²	64	47.7 Å²	47.7	30%	0.296	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	0.8	176	-69.1	86.5	0	0	0	113.6	N191 L193 M220 E221 K222 N226	N191-H224 PolarHBondContact ND2-CE1 3.06Å; N191-H224 VanDerWaalsContact ND2-CE1 3.33Å; N191-H224 PolarHBondContact ND2-NE2 3.22Å; N191-H224 PolarHBondContact OD1-CE1 2.74Å; N191-H224 VanDerWaalsContact OD1-CE1 3.24Å; L193-H224 HydrophobicContact CD2-CB 4.19Å; M220-H224 PolarHBondContact O-N 3.28Å; M220-H224 PolarHBondContact O-ND1 2.83Å; E221-H224 CarbonylContact O-C 3.46Å; E221-H224 WeakPolarHBondContact O-CA 3.38Å; E221-H224 PolarHBondContact O-N 2.89Å; K222-H224 PolarHBondContact O-N 3.35Å; H224-N226 VanDerWaalsContact C-N 3.32Å
225	G	93.1	Very high	96	Very high	55 Å²	55	49.3 Å²	49.3	57%	0.567	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.7	3.4	-177.7	0	0	0	0	0	114.9	E221 K222 L227	E221-G225 PolarHBondContact O-N 2.76Å; K222-G225 PolarHBondContact O-N 2.68Å; G225-L227 PolarHBondContact O-N 2.81Å
226	N	94.9	Very high	95.9	Very high	50 Å²	50	49.7 Å²	49.7	27%	0.267	25%	0.246	S	C	.	.			trans	-82.6	60.9	-176.1	-60.1	-35.8	0	0	0	111.5	R197 E221 H224 Q228 V229 S230	R197-N226 PolarHBondContact NH2-ND2 3.39Å; R197-N226 VanDerWaalsContact NH2-ND2 3.15Å; E221-N226 HydrophobicContact CB-CB 4.27Å; E221-N226 PolarHBondContact O-N 3.33Å; E221-N226 VanDerWaalsContact OE2-CB 3.25Å; E221-N226 WeakPolarHBondContact OE2-CB 3.4Å; E221-N226 PolarHBondContact OE2-ND2 2.76Å; H224-N226 VanDerWaalsContact C-N 3.32Å; N226-Q228 VanDerWaalsContact C-N 3.32Å; N226-Q228 PolarHBondContact O-N 3.26Å; N226-V229 HydrophobicContact CB-CB 4.05Å; N226-V229 HydrophobicContact CB-CG2 4.04Å; N226-V229 PolarHBondContact O-N 3.09Å; N226-S230 PolarHBondContact O-N 3.1Å
227	L	95	Very high	95.9	Very high	68 Å²	68	46.3 Å²	46.3	36%	0.356	23%	0.231	S	C	.	.	H	α-helix	trans	-56.1	-42.2	-171.2	-62.3	-179.3	0	0	0	113.3	K222 G225 V229 S230 E231 F254 N258	K222-L227 HydrophobicContact CG-CD2 4Å; G225-L227 PolarHBondContact O-N 2.81Å; L227-V229 VanDerWaalsContact C-N 3.33Å; L227-V229 PolarHBondContact O-N 2.81Å; L227-S230 WeakPolarHBondContact O-CB 3.41Å; L227-S230 PolarHBondContact O-N 2.85Å; L227-E231 PolarHBondContact O-N 3.06Å; L227-F254 HydrophobicContact CB-CZ 4.47Å; L227-F254 HydrophobicContact CD2-CE2 4.24Å; L227-F254 HydrophobicContact CD2-CZ 4.44Å; L227-F254 WeakPolarHBondContact O-CZ 3.36Å; L227-N258 HydrophobicContact CD1-CB 4.41Å; L227-N258 WeakPolarHBondContact CD2-OD1 3.17Å
228	Q	94.8	Very high	95.8	Very high	171 Å²	171	46 Å²	46	80%	0.799	23%	0.23	S	C	*	.	H	α-helix	trans	-61.9	-37.7	176.1	-69	174.9	-22.3	0	0	112.8	N226 E231 E232	N226-Q228 VanDerWaalsContact C-N 3.32Å; N226-Q228 PolarHBondContact O-N 3.26Å; Q228-E231 PolarHBondContact O-N 3.04Å; Q228-E232 WeakPolarHBondContact O-CB 3.09Å; Q228-E232 PolarHBondContact O-N 3.37Å
229	V	95.9	Very high	95.6	Very high	51 Å²	51	50.8 Å²	50.8	31%	0.309	25%	0.252	S	S	.	.	H	α-helix	trans	-74.6	-36.1	177.5	-168.6	0	0	0	0	110.6	E221 N226 L227 E231 E232 V233	E221-V229 HydrophobicContact CB-CB 4.46Å; E221-V229 HydrophobicContact CG-CB 4.17Å; E221-V229 HydrophobicContact CG-CG1 3.86Å; N226-V229 HydrophobicContact CB-CB 4.05Å; N226-V229 HydrophobicContact CB-CG2 4.04Å; N226-V229 PolarHBondContact O-N 3.09Å; L227-V229 VanDerWaalsContact C-N 3.33Å; L227-V229 PolarHBondContact O-N 2.81Å; V229-E231 VanDerWaalsContact C-N 3.34Å; V229-E232 PolarHBondContact O-N 2.64Å; V229-V233 VanDerWaalsContact O-CG2 3.26Å; V229-V233 WeakPolarHBondContact O-CG2 3.28Å; V229-V233 PolarHBondContact O-N 2.83Å
230	S	97.1	Very high	95.4	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.5	-43.1	171.4	178.8	0	0	0	0	111.7	A218 N226 L227 V233 Y234 F254	A218-S230 PolarHBondContact O-OG 2.96Å; N226-S230 PolarHBondContact O-N 3.1Å; L227-S230 WeakPolarHBondContact O-CB 3.41Å; L227-S230 PolarHBondContact O-N 2.85Å; S230-V233 PolarHBondContact O-N 2.9Å; S230-Y234 VanDerWaalsContact O-CD2 3.29Å; S230-Y234 WeakPolarHBondContact O-CD2 3.27Å; S230-Y234 PolarHBondContact O-N 3.1Å; S230-Y234 VanDerWaalsContact O-N 3.15Å; S230-F254 WeakPolarHBondContact OG-CE2 3.49Å
231	E	95.9	Very high	95.3	Very high	57 Å²	57	49.9 Å²	49.9	27%	0.266	25%	0.252	S	S	.	.	H	α-helix	trans	-62.1	-49.5	174.4	-159.8	-167.9	122.5	0	0	111	L227 Q228 V229 V233 Y234 R235 Y251 F254	L227-E231 PolarHBondContact O-N 3.06Å; Q228-E231 PolarHBondContact O-N 3.04Å; V229-E231 VanDerWaalsContact C-N 3.34Å; E231-V233 VanDerWaalsContact C-N 3.27Å; E231-V233 PolarHBondContact O-N 3.38Å; E231-Y234 WeakPolarHBondContact O-CB 3.38Å; E231-Y234 PolarHBondContact O-N 2.91Å; E231-R235 HydrophobicContact CG-CG 4.47Å; E231-R235 WeakPolarHBondContact O-CB 3.46Å; E231-R235 VanDerWaalsContact O-CG 3.32Å; E231-R235 WeakPolarHBondContact O-CG 3.45Å; E231-R235 PolarHBondContact O-N 3.27Å; E231-R235 WeakPolarHBondContact OE1-CD 3.23Å; E231-R235 IonicContact OE1-CZ 2.71Å; E231-R235 IonicContact OE1-NE 3.94Å; E231-R235 IonicContact OE1-NH1 3.55Å; E231-R235 PolarHBondContact OE1-NH1 3.31Å; E231-Y251 HydrophobicContact CG-CE2 3.93Å; E231-F254 HydrophobicContact CB-CE1 3.76Å; E231-F254 HydrophobicContact CB-CZ 4.32Å; E231-F254 HydrophobicContact CG-CE1 3.99Å
232	E	96.3	Very high	95.2	Very high	85 Å²	85	50.4 Å²	50.4	40%	0.397	26%	0.255	S	S	.	.	H	α-helix	trans	-59.8	-34.7	178.2	176.6	54.7	-163.8	0	0	112.8	Q228 V229 R235 R236	Q228-E232 WeakPolarHBondContact O-CB 3.09Å; Q228-E232 PolarHBondContact O-N 3.37Å; V229-E232 PolarHBondContact O-N 2.64Å; E232-R235 PolarHBondContact O-N 3.39Å; E232-R236 WeakPolarHBondContact O-CG 3.41Å; E232-R236 PolarHBondContact O-N 3.01Å; E232-R236 VanDerWaalsContact OE1-CD 3.24Å; E232-R236 WeakPolarHBondContact OE1-CD 3.47Å; E232-R236 WeakPolarHBondContact OE1-CG 3.34Å; E232-R236 IonicContact OE1-NE 3.45Å
233	V	97.8	Very high	95.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-67.9	-40	173.8	171.2	0	0	0	0	111.9	W214 Y217 A218 V229 S230 E231 G237	W214-V233 HydrophobicContact CE3-CG1 4.02Å; W214-V233 WeakPolarHBondContact O-CG1 3.38Å; Y217-V233 HydrophobicContact CD1-CB 4.3Å; Y217-V233 HydrophobicContact CD1-CG1 3.49Å; Y217-V233 VanDerWaalsContact CD1-CG1 3.49Å; Y217-V233 HydrophobicContact CD1-CG2 3.69Å; Y217-V233 HydrophobicContact CD2-CG1 4.48Å; Y217-V233 HydrophobicContact CD2-CG2 4.15Å; Y217-V233 HydrophobicContact CE1-CG1 4.3Å; Y217-V233 HydrophobicContact CE1-CG2 3.7Å; Y217-V233 HydrophobicContact CE2-CG2 4.08Å; Y217-V233 HydrophobicContact CG-CB 4.49Å; Y217-V233 HydrophobicContact CG-CG1 3.64Å; Y217-V233 HydrophobicContact CG-CG2 3.97Å; A218-V233 HydrophobicContact CB-CB 4.11Å; A218-V233 HydrophobicContact CB-CG1 3.85Å; V229-V233 VanDerWaalsContact O-CG2 3.26Å; V229-V233 WeakPolarHBondContact O-CG2 3.28Å; V229-V233 PolarHBondContact O-N 2.83Å; S230-V233 PolarHBondContact O-N 2.9Å; E231-V233 VanDerWaalsContact C-N 3.27Å; E231-V233 PolarHBondContact O-N 3.38Å; V233-G237 PolarHBondContact O-N 3.45Å
234	Y	97.9	Very high	95.2	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-63.6	-45.4	170.7	-81.8	-66.1	0	0	0	111.4	K215 A218 D219 S230 E231 G237 L238 L247 H250 Y251 F254	K215-Y234 HydrophobicContact CG-CE1 4.31Å; K215-Y234 WeakPolarHBondContact CG-OH 3.19Å; A218-Y234 HydrophobicContact CB-CD1 4.47Å; A218-Y234 HydrophobicContact CB-CD2 3.56Å; A218-Y234 HydrophobicContact CB-CE1 4.27Å; A218-Y234 HydrophobicContact CB-CE2 3.3Å; A218-Y234 HydrophobicContact CB-CG 4.13Å; D219-Y234 PolarHBondContact OD1-OH 3.17Å; S230-Y234 VanDerWaalsContact O-CD2 3.29Å; S230-Y234 WeakPolarHBondContact O-CD2 3.27Å; S230-Y234 PolarHBondContact O-N 3.1Å; S230-Y234 VanDerWaalsContact O-N 3.15Å; E231-Y234 WeakPolarHBondContact O-CB 3.38Å; E231-Y234 PolarHBondContact O-N 2.91Å; Y234-G237 PolarHBondContact O-N 2.98Å; Y234-L238 WeakPolarHBondContact O-CG 3.26Å; Y234-L238 PolarHBondContact O-N 3.08Å; Y234-L247 HydrophobicContact CD1-CD1 3.87Å; Y234-L247 HydrophobicContact CE1-CD1 4.01Å; Y234-H250 HydrophobicContact CE1-CB 3.72Å; Y234-Y251 VanDerWaalsContact CB-CD2 3.49Å; Y234-Y251 HydrophobicContact CD2-CD2 4.37Å; Y234-Y251 AromaticContact CG-CD2 3.99Å; Y234-Y251 HydrophobicContact CG-CD2 3.99Å; Y234-F254 HydrophobicContact CD2-CB 4.17Å; Y234-F254 HydrophobicContact CD2-CD1 4.25Å; Y234-F254 HydrophobicContact CD2-CD2 4.45Å; Y234-F254 HydrophobicContact CD2-CG 4.02Å; Y234-F254 HydrophobicContact CE2-CB 3.78Å; Y234-F254 HydrophobicContact CE2-CD2 4.01Å; Y234-F254 AromaticContact CE2-CG 3.84Å; Y234-F254 HydrophobicContact CE2-CG 3.84Å
235	R	95.8	Very high	95.3	Very high	45 Å²	45	40 Å²	40	17%	0.17	21%	0.212	C	C	.	.	H	α-helix	trans	-57	-50.5	179.3	-77.3	179.9	94.8	143.6	-3.3	112	L84 F85 E231 E232 G237 L238 Q239 Y251	L84-R235 PolarHBondContact O-NH2 3.21Å; F85-R235 HydrophobicContact CD1-CB 4.35Å; F85-R235 HydrophobicContact CE1-CB 3.48Å; F85-R235 VanDerWaalsContact CE1-CB 3.48Å; F85-R235 HydrophobicContact CE1-CG 3.79Å; F85-R235 HydrophobicContact CZ-CB 4.17Å; F85-R235 WeakPolarHBondContact CZ-O 3.37Å; E231-R235 HydrophobicContact CG-CG 4.47Å; E231-R235 WeakPolarHBondContact O-CB 3.46Å; E231-R235 VanDerWaalsContact O-CG 3.32Å; E231-R235 WeakPolarHBondContact O-CG 3.45Å; E231-R235 PolarHBondContact O-N 3.27Å; E231-R235 WeakPolarHBondContact OE1-CD 3.23Å; E231-R235 IonicContact OE1-CZ 2.71Å; E231-R235 IonicContact OE1-NE 3.94Å; E231-R235 IonicContact OE1-NH1 3.55Å; E231-R235 PolarHBondContact OE1-NH1 3.31Å; E232-R235 PolarHBondContact O-N 3.39Å; R235-G237 PolarHBondContact O-N 2.83Å; R235-L238 PolarHBondContact O-N 3.04Å; R235-Q239 PolarHBondContact O-N 3.44Å; R235-Y251 HydrophobicContact CG-CE2 4.4Å
236	R	96.3	Very high	95.5	Very high	70 Å²	70	39.3 Å²	39.3	26%	0.264	20%	0.196	S	C	.	.	H	α-helix	trans	-63.2	-39.3	173.3	-67.4	-172.2	-60.7	135.4	-7.4	113	D201 W214 E232 L238 Q239 A240	D201-R236 IonicContact OD1-CZ 2.76Å; D201-R236 VanDerWaalsContact OD1-CZ 3.25Å; D201-R236 IonicContact OD1-NH1 3.41Å; D201-R236 PolarHBondContact OD1-NH1 3.15Å; D201-R236 IonicContact OD1-NH2 3.38Å; D201-R236 PolarHBondContact OD1-NH2 3.5Å; W214-R236 HydrophobicContact CH2-CB 3.94Å; W214-R236 HydrophobicContact CZ3-CB 3.81Å; E232-R236 WeakPolarHBondContact O-CG 3.41Å; E232-R236 PolarHBondContact O-N 3.01Å; E232-R236 VanDerWaalsContact OE1-CD 3.24Å; E232-R236 WeakPolarHBondContact OE1-CD 3.47Å; E232-R236 WeakPolarHBondContact OE1-CG 3.34Å; E232-R236 IonicContact OE1-NE 3.45Å; R236-L238 VanDerWaalsContact C-N 3.34Å; R236-L238 PolarHBondContact O-N 3.07Å; R236-Q239 PolarHBondContact O-N 3.03Å; R236-A240 WeakPolarHBondContact O-CB 3.5Å; R236-A240 PolarHBondContact O-N 3.36Å
237	G	96.4	Very high	95.7	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.9	-36.3	176.1	0	0	0	0	0	113.5	V233 Y234 R235 A240 I241 L247	V233-G237 PolarHBondContact O-N 3.45Å; Y234-G237 PolarHBondContact O-N 2.98Å; R235-G237 PolarHBondContact O-N 2.83Å; G237-A240 PolarHBondContact O-N 3.28Å; G237-I241 PolarHBondContact O-N 2.61Å; G237-L247 VanDerWaalsContact C-CD2 3.48Å; G237-L247 WeakPolarHBondContact O-CD2 3.48Å
238	L	95.8	Very high	95.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-74.9	-35.8	175.9	-70.1	172.7	0	0	0	112.4	Y234 R235 R236 A240 I241 P242 L247 W248 Y251	Y234-L238 WeakPolarHBondContact O-CG 3.26Å; Y234-L238 PolarHBondContact O-N 3.08Å; R235-L238 PolarHBondContact O-N 3.04Å; R236-L238 VanDerWaalsContact C-N 3.34Å; R236-L238 PolarHBondContact O-N 3.07Å; L238-A240 PolarHBondContact O-N 3.08Å; L238-I241 CarbonylContact O-C 3.49Å; L238-I241 PolarHBondContact O-N 2.89Å; L238-P242 WeakPolarHBondContact O-CA 3.45Å; L238-P242 WeakPolarHBondContact O-CB 3.47Å; L238-P242 VanDerWaalsContact O-CD 3.3Å; L238-P242 WeakPolarHBondContact O-CD 3.45Å; L238-L247 HydrophobicContact CD2-CB 4.03Å; L238-L247 HydrophobicContact CD2-CD2 3.99Å; L238-L247 HydrophobicContact CD2-CG 3.78Å; L238-L247 HydrophobicContact CG-CD2 4.32Å; L238-L247 HydrophobicContact CG-CG 4.24Å; L238-W248 HydrophobicContact CD1-CD2 3.99Å; L238-W248 HydrophobicContact CD1-CE3 3.66Å; L238-W248 HydrophobicContact CD1-CH2 4.13Å; L238-W248 HydrophobicContact CD1-CZ2 4.41Å; L238-W248 HydrophobicContact CD1-CZ3 3.75Å; L238-W248 HydrophobicContact CD2-CB 4.44Å; L238-W248 HydrophobicContact CD2-CD2 3.61Å; L238-W248 HydrophobicContact CD2-CE3 4.17Å; L238-W248 HydrophobicContact CD2-CG 3.72Å; L238-W248 HydrophobicContact CD2-CZ2 4.35Å; L238-W248 HydrophobicContact CG-CD2 4.41Å; L238-Y251 HydrophobicContact CD1-CD1 3.65Å; L238-Y251 HydrophobicContact CD1-CE1 4.35Å; L238-Y251 HydrophobicContact CD1-CG 3.77Å
239	Q	92.7	Very high	96	Very high	101 Å²	101	26.2 Å²	26.2	47%	0.472	13%	0.131	S	C	.	.	H	α-helix	trans	-62.5	-34.1	168.3	-177.2	173.6	77.6	0	0	112	S81 F85 R235 R236	S81-Q239 PolarHBondContact O-NE2 3.18Å; F85-Q239 HydrophobicContact CE2-CB 4.04Å; F85-Q239 HydrophobicContact CE2-CG 4.38Å; F85-Q239 HydrophobicContact CZ-CB 4.22Å; R235-Q239 PolarHBondContact O-N 3.44Å; R236-Q239 PolarHBondContact O-N 3.03Å
240	A	92.3	Very high	96.1	Very high	29 Å²	29	26.1 Å²	26.1	24%	0.24	13%	0.127	C	C	.	.	H	α-helix	trans	-78.2	-29.9	177.3	0	0	0	0	0	114	P208 Y209 W214 R236 G237 L238	P208-A240 HydrophobicContact CB-CB 4.11Å; Y209-A240 WeakPolarHBondContact CE1-O 3.37Å; W214-A240 HydrophobicContact CZ2-CB 3.94Å; R236-A240 WeakPolarHBondContact O-CB 3.5Å; R236-A240 PolarHBondContact O-N 3.36Å; G237-A240 PolarHBondContact O-N 3.28Å; L238-A240 PolarHBondContact O-N 3.08Å
241	I	94.1	Very high	96.1	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.015	13%	0.129	C	C	.	.			trans	-140.9	65.2	-177.7	-25.4	168.9	0	0	0	112	P208 Y209 G237 L238 L243 S244 L247 I468	P208-I241 WeakPolarHBondContact O-CD1 3.2Å; P208-I241 VanDerWaalsContact O-CG1 3.24Å; P208-I241 WeakPolarHBondContact O-CG1 3.4Å; Y209-I241 HydrophobicContact CD1-CG1 4.23Å; Y209-I241 HydrophobicContact CD1-CG2 4.42Å; G237-I241 PolarHBondContact O-N 2.61Å; L238-I241 CarbonylContact O-C 3.49Å; L238-I241 PolarHBondContact O-N 2.89Å; I241-L243 PolarHBondContact O-N 3.34Å; I241-S244 VanDerWaalsContact O-CB 3.31Å; I241-S244 WeakPolarHBondContact O-CB 3.38Å; I241-S244 PolarHBondContact O-N 3.4Å; I241-L247 HydrophobicContact CD1-CD2 4.42Å; I241-I468 HydrophobicContact CG2-CD1 3.72Å; I241-I468 HydrophobicContact CG2-CG1 4.15Å
242	P	93.7	Very high	96.2	Very high	10 Å²	10	24 Å²	24	7%	0.065	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.8	-172	23.8	-35.1	0	0	0	114.5	F77 L238 W248 A280	F77-P242 HydrophobicContact CE1-CG 4.35Å; F77-P242 HydrophobicContact CE2-CB 4.3Å; F77-P242 HydrophobicContact CE2-CG 3.56Å; F77-P242 HydrophobicContact CZ-CG 3.45Å; F77-P242 VanDerWaalsContact CZ-CG 3.45Å; L238-P242 WeakPolarHBondContact O-CA 3.45Å; L238-P242 WeakPolarHBondContact O-CB 3.47Å; L238-P242 VanDerWaalsContact O-CD 3.3Å; L238-P242 WeakPolarHBondContact O-CD 3.45Å; P242-W248 PolarHBondContact O-NE1 3.01Å; P242-A280 HydrophobicContact CB-CB 4.26Å; P242-A280 WeakPolarHBondContact O-CB 3.32Å
243	L	94	Very high	96.2	Very high	11 Å²	11	23.1 Å²	23.1	6%	0.058	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	0.8	174.7	-51.2	95.3	0	0	0	114	F77 I241 V245 V461 E464 R465 I468	F77-L243 HydrophobicContact CE2-CD1 3.51Å; F77-L243 HydrophobicContact CE2-CG 4.06Å; F77-L243 HydrophobicContact CZ-CD1 3.58Å; I241-L243 PolarHBondContact O-N 3.34Å; L243-V245 PolarHBondContact O-N 2.96Å; L243-V461 HydrophobicContact CD2-CG1 4.32Å; L243-E464 HydrophobicContact CD1-CB 3.76Å; L243-E464 HydrophobicContact CD2-CB 4.18Å; L243-R465 HydrophobicContact CD2-CG 3.52Å; L243-I468 HydrophobicContact CB-CD1 3.95Å; L243-I468 HydrophobicContact CD1-CD1 3.92Å
244	S	96	Very high	96.2	Very high	12 Å²	12	23.4 Å²	23.4	8%	0.084	12%	0.119	C	C	.	.			trans	-77.3	88.8	-175.4	-170.3	0	0	0	0	111.9	Y211 I241 D246 L247 W248	Y211-S244 WeakPolarHBondContact CB-OG 3.47Å; I241-S244 VanDerWaalsContact O-CB 3.31Å; I241-S244 WeakPolarHBondContact O-CB 3.38Å; I241-S244 PolarHBondContact O-N 3.4Å; S244-D246 VanDerWaalsContact C-N 3.27Å; S244-D246 PolarHBondContact O-N 2.94Å; S244-L247 PolarHBondContact O-N 3Å; S244-L247 WeakPolarHBondContact OG-CB 3.47Å; S244-W248 PolarHBondContact O-N 3.18Å
245	V	96.6	Very high	96	Very high	17 Å²	17	23.8 Å²	23.8	10%	0.103	12%	0.121	C	C	.	.	H	α-helix	trans	-49	-44.3	177.7	177.6	0	0	0	0	112.4	L243 L249 A281 D284 L290	L243-V245 PolarHBondContact O-N 2.96Å; V245-L249 HydrophobicContact CG1-CD1 4.12Å; V245-L249 WeakPolarHBondContact O-CB 3.36Å; V245-L249 VanDerWaalsContact O-CG 3.29Å; V245-L249 WeakPolarHBondContact O-CG 3.23Å; V245-L249 PolarHBondContact O-N 3.21Å; V245-A281 HydrophobicContact CG2-CB 4.09Å; V245-D284 HydrophobicContact CG2-CB 4.31Å; V245-L290 HydrophobicContact CG1-CB 4.16Å
246	D	97.2	Very high	95.9	Very high	42 Å²	42	25 Å²	25	23%	0.225	13%	0.127	C	C	.	.	H	α-helix	trans	-67.3	-35.6	177.4	-82.8	-34	0	0	0	113.3	Y211 S244 L249 H250 R289	Y211-D246 HydrophobicContact CD2-CB 3.95Å; Y211-D246 HydrophobicContact CE2-CB 3.31Å; Y211-D246 PolarHBondContact OH-OD2 2.99Å; S244-D246 VanDerWaalsContact C-N 3.27Å; S244-D246 PolarHBondContact O-N 2.94Å; D246-L249 PolarHBondContact O-N 3.26Å; D246-H250 PolarHBondContact O-CD2 2.92Å; D246-H250 VanDerWaalsContact O-CG 3.28Å; D246-H250 PolarHBondContact O-N 3.1Å; D246-R289 IonicContact OD1-CZ 2.72Å; D246-R289 IonicContact OD1-NH1 2.78Å; D246-R289 PolarHBondContact OD1-NH1 2.98Å; D246-R289 IonicContact OD1-NH2 3.65Å
247	L	97.5	Very high	95.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-71.8	-40.4	178.4	-169.9	59.4	0	0	0	111	W214 Y234 G237 L238 I241 S244 H250 Y251	W214-L247 HydrophobicContact CB-CD1 4.1Å; W214-L247 HydrophobicContact CB-CD2 4.36Å; Y234-L247 HydrophobicContact CD1-CD1 3.87Å; Y234-L247 HydrophobicContact CE1-CD1 4.01Å; G237-L247 VanDerWaalsContact C-CD2 3.48Å; G237-L247 WeakPolarHBondContact O-CD2 3.48Å; L238-L247 HydrophobicContact CD2-CB 4.03Å; L238-L247 HydrophobicContact CD2-CD2 3.99Å; L238-L247 HydrophobicContact CD2-CG 3.78Å; L238-L247 HydrophobicContact CG-CD2 4.32Å; L238-L247 HydrophobicContact CG-CG 4.24Å; I241-L247 HydrophobicContact CD1-CD2 4.42Å; S244-L247 PolarHBondContact O-N 3Å; S244-L247 WeakPolarHBondContact OG-CB 3.47Å; L247-H250 PolarHBondContact O-N 3.09Å; L247-Y251 PolarHBondContact O-N 3.46Å
248	W	98	Very high	95.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-58	-48.5	169.7	-82.5	113.5	0	0	0	111.4	L84 L238 P242 S244 H250 Y251 L252 H276 A277 A280	L84-W248 HydrophobicContact CD1-CH2 4.02Å; L84-W248 HydrophobicContact CD1-CZ2 4.41Å; L84-W248 HydrophobicContact CD2-CH2 4.05Å; L84-W248 HydrophobicContact CG-CH2 4.43Å; L238-W248 HydrophobicContact CD1-CD2 3.99Å; L238-W248 HydrophobicContact CD1-CE3 3.66Å; L238-W248 HydrophobicContact CD1-CH2 4.13Å; L238-W248 HydrophobicContact CD1-CZ2 4.41Å; L238-W248 HydrophobicContact CD1-CZ3 3.75Å; L238-W248 HydrophobicContact CD2-CB 4.44Å; L238-W248 HydrophobicContact CD2-CD2 3.61Å; L238-W248 HydrophobicContact CD2-CE3 4.17Å; L238-W248 HydrophobicContact CD2-CG 3.72Å; L238-W248 HydrophobicContact CD2-CZ2 4.35Å; L238-W248 HydrophobicContact CG-CD2 4.41Å; P242-W248 PolarHBondContact O-NE1 3.01Å; S244-W248 PolarHBondContact O-N 3.18Å; W248-H250 VanDerWaalsContact C-N 3.27Å; W248-H250 PolarHBondContact O-N 3.26Å; W248-Y251 HydrophobicContact CE3-CD1 4.12Å; W248-Y251 HydrophobicContact CZ3-CD1 4.13Å; W248-Y251 HydrophobicContact CZ3-CE1 4.38Å; W248-Y251 PolarHBondContact O-N 3.45Å; W248-L252 HydrophobicContact CB-CD1 4.48Å; W248-L252 WeakPolarHBondContact O-CB 3.41Å; W248-L252 WeakPolarHBondContact O-CD1 3.42Å; W248-L252 WeakPolarHBondContact O-CG 3.44Å; W248-L252 PolarHBondContact O-N 3.07Å; W248-H276 HydrophobicContact CH2-CB 3.82Å; W248-H276 HydrophobicContact CZ3-CB 4.28Å; W248-A277 HydrophobicContact CB-CB 4.15Å; W248-A277 HydrophobicContact CD2-CB 3.5Å; W248-A277 HydrophobicContact CE3-CB 3.39Å; W248-A277 HydrophobicContact CG-CB 3.86Å; W248-A277 HydrophobicContact CZ3-CB 3.92Å; W248-A280 HydrophobicContact CZ2-CB 3.73Å
249	L	98.2	Very high	95.3	Very high	14 Å²	14	31.5 Å²	31.5	7%	0.073	17%	0.166	C	C	.	.	H	α-helix	trans	-59.3	-36.7	176.6	-75.6	170.3	0	0	0	112.4	V245 D246 T253 R289 L290	V245-L249 HydrophobicContact CG1-CD1 4.12Å; V245-L249 WeakPolarHBondContact O-CB 3.36Å; V245-L249 VanDerWaalsContact O-CG 3.29Å; V245-L249 WeakPolarHBondContact O-CG 3.23Å; V245-L249 PolarHBondContact O-N 3.21Å; D246-L249 PolarHBondContact O-N 3.26Å; L249-T253 WeakPolarHBondContact O-CB 3.39Å; L249-T253 PolarHBondContact O-N 2.8Å; L249-T253 PolarHBondContact O-OG1 3.39Å; L249-R289 HydrophobicContact CD1-CB 3.84Å; L249-L290 HydrophobicContact CD2-CD1 4.35Å
250	H	98.3	Very high	95.1	Very high	49 Å²	49	30.8 Å²	30.8	23%	0.227	17%	0.166	C	C	.	.	H	α-helix	trans	-71.9	-38.7	175.6	-69.5	-18.8	0	0	0	113.4	K215 Y234 D246 L247 W248 F254	K215-H250 WeakPolarHBondContact CD-CD2 3.4Å; K215-H250 VanDerWaalsContact CE-CD2 3.44Å; K215-H250 WeakPolarHBondContact CE-CD2 3.38Å; K215-H250 HydrophobicContact CG-CB 4.27Å; K215-H250 PolarHBondContact NZ-CE1 2.71Å; K215-H250 VanDerWaalsContact NZ-CE1 3.28Å; K215-H250 PolarHBondContact NZ-NE2 3.39Å; Y234-H250 HydrophobicContact CE1-CB 3.72Å; D246-H250 PolarHBondContact O-CD2 2.92Å; D246-H250 VanDerWaalsContact O-CG 3.28Å; D246-H250 PolarHBondContact O-N 3.1Å; L247-H250 PolarHBondContact O-N 3.09Å; W248-H250 VanDerWaalsContact C-N 3.27Å; W248-H250 PolarHBondContact O-N 3.26Å; H250-F254 WeakPolarHBondContact O-CB 3.3Å; H250-F254 PolarHBondContact O-N 3.29Å
251	Y	97.9	Very high	94.7	Very high	10 Å²	10	35 Å²	35	4%	0.039	19%	0.191	C	C	.	.	H	α-helix	trans	-64.3	-44.2	172	175.5	-117.2	0	0	0	112.2	E231 Y234 R235 L238 L247 W248 T253 F254 I255	E231-Y251 HydrophobicContact CG-CE2 3.93Å; Y234-Y251 VanDerWaalsContact CB-CD2 3.49Å; Y234-Y251 HydrophobicContact CD2-CD2 4.37Å; Y234-Y251 AromaticContact CG-CD2 3.99Å; Y234-Y251 HydrophobicContact CG-CD2 3.99Å; R235-Y251 HydrophobicContact CG-CE2 4.4Å; L238-Y251 HydrophobicContact CD1-CD1 3.65Å; L238-Y251 HydrophobicContact CD1-CE1 4.35Å; L238-Y251 HydrophobicContact CD1-CG 3.77Å; L247-Y251 PolarHBondContact O-N 3.46Å; W248-Y251 HydrophobicContact CE3-CD1 4.12Å; W248-Y251 HydrophobicContact CZ3-CD1 4.13Å; W248-Y251 HydrophobicContact CZ3-CE1 4.38Å; W248-Y251 PolarHBondContact O-N 3.45Å; Y251-T253 PolarHBondContact O-N 2.87Å; Y251-F254 WeakPolarHBondContact O-CA 3.48Å; Y251-F254 WeakPolarHBondContact O-CB 3.36Å; Y251-F254 PolarHBondContact O-N 3.07Å; Y251-F254 VanDerWaalsContact O-N 3.08Å; Y251-I255 HydrophobicContact CD2-CG2 4.16Å; Y251-I255 HydrophobicContact CE1-CG2 4.44Å; Y251-I255 HydrophobicContact CE2-CG2 3.66Å; Y251-I255 PolarHBondContact O-N 3.31Å
252	L	97.3	Very high	94.4	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-64.1	-37.5	177.8	-69.8	163.6	0	0	0	112.1	W248 I255 K256 Y274 A277 L290	W248-L252 HydrophobicContact CB-CD1 4.48Å; W248-L252 WeakPolarHBondContact O-CB 3.41Å; W248-L252 WeakPolarHBondContact O-CD1 3.42Å; W248-L252 WeakPolarHBondContact O-CG 3.44Å; W248-L252 PolarHBondContact O-N 3.07Å; L252-I255 HydrophobicContact CD2-CD1 4.22Å; L252-I255 WeakPolarHBondContact O-CG1 3.44Å; L252-K256 WeakPolarHBondContact O-CB 3.45Å; L252-K256 VanDerWaalsContact O-CG 3.31Å; L252-K256 WeakPolarHBondContact O-CG 3.49Å; L252-K256 PolarHBondContact O-N 3.3Å; L252-Y274 HydrophobicContact CD1-CD1 3.78Å; L252-Y274 HydrophobicContact CD1-CE1 3.69Å; L252-Y274 HydrophobicContact CD2-CD1 4.02Å; L252-Y274 HydrophobicContact CD2-CD2 4.06Å; L252-Y274 HydrophobicContact CD2-CE1 4.22Å; L252-Y274 HydrophobicContact CD2-CE2 4.24Å; L252-Y274 HydrophobicContact CD2-CG 3.93Å; L252-Y274 HydrophobicContact CG-CE1 4.4Å; L252-A277 HydrophobicContact CD1-CB 3.97Å; L252-L290 HydrophobicContact CD1-CD1 3.48Å; L252-L290 VanDerWaalsContact CD1-CD1 3.48Å
253	T	97.1	Very high	94.3	Very high	67 Å²	67	43 Å²	43	41%	0.411	23%	0.233	S	C	.	.	H	α-helix	trans	-66.4	-43	168.9	-62.5	0	0	0	0	111.5	L249 Y251 K256 E257	L249-T253 WeakPolarHBondContact O-CB 3.39Å; L249-T253 PolarHBondContact O-N 2.8Å; L249-T253 PolarHBondContact O-OG1 3.39Å; Y251-T253 PolarHBondContact O-N 2.87Å; T253-K256 PolarHBondContact O-N 2.76Å; T253-E257 HydrophobicContact CG2-CG 4.3Å; T253-E257 WeakPolarHBondContact CG2-OE1 3.3Å; T253-E257 WeakPolarHBondContact O-CB 3.21Å; T253-E257 WeakPolarHBondContact O-CG 3.33Å; T253-E257 PolarHBondContact O-N 3.38Å
254	F	96.6	Very high	93.9	Very high	7 Å²	7	48.1 Å²	48.1	3%	0.031	27%	0.267	C	S	.	.	H	α-helix	trans	-58.5	-51.1	178.9	171.8	-91.9	0	0	0	112	K222 L227 S230 E231 Y234 H250 Y251 K256 E257 N258	K222-F254 HydrophobicContact CD-CD2 4.06Å; K222-F254 HydrophobicContact CD-CE2 4.12Å; K222-F254 HydrophobicContact CG-CE2 4.34Å; L227-F254 HydrophobicContact CB-CZ 4.47Å; L227-F254 HydrophobicContact CD2-CE2 4.24Å; L227-F254 HydrophobicContact CD2-CZ 4.44Å; L227-F254 WeakPolarHBondContact O-CZ 3.36Å; S230-F254 WeakPolarHBondContact OG-CE2 3.49Å; E231-F254 HydrophobicContact CB-CE1 3.76Å; E231-F254 HydrophobicContact CB-CZ 4.32Å; E231-F254 HydrophobicContact CG-CE1 3.99Å; Y234-F254 HydrophobicContact CD2-CB 4.17Å; Y234-F254 HydrophobicContact CD2-CD1 4.25Å; Y234-F254 HydrophobicContact CD2-CD2 4.45Å; Y234-F254 HydrophobicContact CD2-CG 4.02Å; Y234-F254 HydrophobicContact CE2-CB 3.78Å; Y234-F254 HydrophobicContact CE2-CD2 4.01Å; Y234-F254 AromaticContact CE2-CG 3.84Å; Y234-F254 HydrophobicContact CE2-CG 3.84Å; H250-F254 WeakPolarHBondContact O-CB 3.3Å; H250-F254 PolarHBondContact O-N 3.29Å; Y251-F254 WeakPolarHBondContact O-CA 3.48Å; Y251-F254 WeakPolarHBondContact O-CB 3.36Å; Y251-F254 PolarHBondContact O-N 3.07Å; Y251-F254 VanDerWaalsContact O-N 3.08Å; F254-K256 PolarHBondContact O-N 3.41Å; F254-E257 PolarHBondContact O-N 2.81Å; F254-N258 HydrophobicContact CZ-CB 4.4Å; F254-N258 WeakPolarHBondContact O-CB 3.5Å; F254-N258 PolarHBondContact O-N 2.65Å; F254-N258 VanDerWaalsContact O-N 3.14Å; F254-N258 PolarHBondContact O-ND2 2.76Å
255	I	94.9	Very high	93.7	Very high	12 Å²	12	53.9 Å²	53.9	6%	0.062	29%	0.293	C	S	.	.	H	α-helix	trans	-64	-41.4	179.8	64.6	179.2	0	0	0	111.5	Y251 L252 E257 N258 S259 I270 S273	Y251-I255 HydrophobicContact CD2-CG2 4.16Å; Y251-I255 HydrophobicContact CE1-CG2 4.44Å; Y251-I255 HydrophobicContact CE2-CG2 3.66Å; Y251-I255 PolarHBondContact O-N 3.31Å; L252-I255 HydrophobicContact CD2-CD1 4.22Å; L252-I255 WeakPolarHBondContact O-CG1 3.44Å; I255-E257 VanDerWaalsContact C-N 3.29Å; I255-E257 PolarHBondContact O-N 2.95Å; I255-N258 PolarHBondContact O-N 3.13Å; I255-S259 WeakPolarHBondContact O-CB 3.32Å; I255-S259 PolarHBondContact O-N 3.14Å; I255-S259 PolarHBondContact O-OG 3.48Å; I255-S259 VanDerWaalsContact O-OG 3.06Å; I255-I270 HydrophobicContact CD1-CG1 4.14Å; I255-I270 HydrophobicContact CG1-CG1 4.26Å; I255-S273 VanDerWaalsContact CD1-CB 3.43Å; I255-S273 WeakPolarHBondContact CD1-OG 3.38Å
256	K	93.1	Very high	93.5	Very high	69 Å²	69	53.8 Å²	53.8	30%	0.3	29%	0.292	S	S	.	.	H	α-helix	trans	-59.9	-36.3	176.1	-78.7	-177	179.1	-169.9	0	113.5	L252 T253 F254 I270 Y274 W297	L252-K256 WeakPolarHBondContact O-CB 3.45Å; L252-K256 VanDerWaalsContact O-CG 3.31Å; L252-K256 WeakPolarHBondContact O-CG 3.49Å; L252-K256 PolarHBondContact O-N 3.3Å; T253-K256 PolarHBondContact O-N 2.76Å; F254-K256 PolarHBondContact O-N 3.41Å; K256-I270 HydrophobicContact CG-CD1 4.17Å; K256-I270 HydrophobicContact CG-CG2 4.26Å; K256-Y274 VanDerWaalsContact CE-OH 3.24Å; K256-Y274 WeakPolarHBondContact CE-OH 3.36Å; K256-Y274 PolarHBondContact NZ-OH 3.48Å; K256-W297 VanDerWaalsContact CE-CD1 3.4Å; K256-W297 VanDerWaalsContact NZ-CD1 3.28Å
257	E	94.1	Very high	93.2	Very high	119 Å²	119	54.5 Å²	54.5	56%	0.556	29%	0.294	S	S	*	.	H	α-helix	trans	-80.3	-18.3	179.4	-76.4	179.6	-172.1	0	0	114	K222 T253 F254 I255	K222-E257 IonicContact NZ-OE2 2.76Å; K222-E257 PolarHBondContact NZ-OE2 2.9Å; T253-E257 HydrophobicContact CG2-CG 4.3Å; T253-E257 WeakPolarHBondContact CG2-OE1 3.3Å; T253-E257 WeakPolarHBondContact O-CB 3.21Å; T253-E257 WeakPolarHBondContact O-CG 3.33Å; T253-E257 PolarHBondContact O-N 3.38Å; F254-E257 PolarHBondContact O-N 2.81Å; I255-E257 VanDerWaalsContact C-N 3.29Å; I255-E257 PolarHBondContact O-N 2.95Å
258	N	91.9	Very high	93	Very high	53 Å²	53	56.3 Å²	56.3	28%	0.283	31%	0.313	S	S	.	.	H	α-helix	trans	-127.7	-2.8	-166.5	-60.9	-92.4	0	0	0	114.6	L227 F254 I255	L227-N258 HydrophobicContact CD1-CB 4.41Å; L227-N258 WeakPolarHBondContact CD2-OD1 3.17Å; F254-N258 HydrophobicContact CZ-CB 4.4Å; F254-N258 WeakPolarHBondContact O-CB 3.5Å; F254-N258 PolarHBondContact O-N 2.65Å; F254-N258 VanDerWaalsContact O-N 3.14Å; F254-N258 PolarHBondContact O-ND2 2.76Å; I255-N258 PolarHBondContact O-N 3.13Å
259	S	89.9	Confident	92.7	Very high	35 Å²	35	62 Å²	62	25%	0.245	33%	0.334	C	S	.	.	S	Bend	trans	-77.4	154.3	167.6	-68.2	0	0	0	0	112.5	I255 P261	I255-S259 WeakPolarHBondContact O-CB 3.32Å; I255-S259 PolarHBondContact O-N 3.14Å; I255-S259 PolarHBondContact O-OG 3.48Å; I255-S259 VanDerWaalsContact O-OG 3.06Å; S259-P261 WeakPolarHBondContact O-CD 3.43Å
260	D	88.3	Confident	92.5	Very high	86 Å²	86	61.8 Å²	61.8	46%	0.46	33%	0.334	S	S	.	.			trans	-77.4	120.4	173.9	-171.1	-13.3	0	0	0	110.5	N262 D263 T266	D260-N262 PolarHBondContact O-N 3.07Å; D260-N262 WeakPolarHBondContact OD1-CB 3.32Å; D260-N262 PolarHBondContact OD1-N 3.49Å; D260-N262 PolarHBondContact OD1-ND2 2.86Å; D260-D263 HydrophobicContact CB-CB 4.22Å; D260-D263 PolarHBondContact O-N 3.38Å; D260-T266 WeakPolarHBondContact O-CB 3.39Å; D260-T266 PolarHBondContact O-OG1 2.95Å
261	P	84.6	Confident	92.4	Very high	118 Å²	118	62 Å²	62	77%	0.766	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-8.1	176.5	31.3	-37.5	0	0	0	114	S259	S259-P261 WeakPolarHBondContact O-CD 3.43Å
262	N	87.4	Confident	92.2	Very high	137 Å²	137	63.6 Å²	63.6	73%	0.733	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-13.8	175.4	-52.6	-86.2	0	0	0	112.6	D260 P264	D260-N262 PolarHBondContact O-N 3.07Å; D260-N262 WeakPolarHBondContact OD1-CB 3.32Å; D260-N262 PolarHBondContact OD1-N 3.49Å; D260-N262 PolarHBondContact OD1-ND2 2.86Å; N262-P264 WeakPolarHBondContact O-CD 3.37Å
263	D	90.5	Very high	92.1	Very high	43 Å²	43	64.4 Å²	64.4	23%	0.23	35%	0.353	C	S	.	.			trans	-78.5	120	176.4	167.6	31.4	0	0	0	110.8	D260 E265 T266 R269	D260-D263 HydrophobicContact CB-CB 4.22Å; D260-D263 PolarHBondContact O-N 3.38Å; D263-E265 PolarHBondContact O-N 3.48Å; D263-E265 WeakPolarHBondContact OD1-CB 3.42Å; D263-E265 PolarHBondContact OD1-N 3.15Å; D263-T266 WeakPolarHBondContact O-CB 3.35Å; D263-T266 PolarHBondContact O-N 3.4Å; D263-T266 PolarHBondContact OD2-N 2.95Å; D263-T266 PolarHBondContact OD2-OG1 3.45Å; D263-R269 IonicContact OD2-CZ 3.32Å; D263-R269 IonicContact OD2-NE 2.64Å; D263-R269 IonicContact OD2-NH2 2.82Å; D263-R269 PolarHBondContact OD2-NH2 3.32Å
264	P	87.3	Confident	92.1	Very high	119 Å²	119	61.2 Å²	61.2	77%	0.773	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-25.7	175.3	-23.6	35	0	0	0	114.3	N262	N262-P264 WeakPolarHBondContact O-CD 3.37Å
265	E	91.3	Very high	92.1	Very high	134 Å²	134	63.2 Å²	63.2	63%	0.626	34%	0.343	S	S	*	.	H	α-helix	trans	-80.8	-18.4	-178.1	-60.5	-174.7	-176.8	0	0	112.8	D263 E267 G268 R269	D263-E265 PolarHBondContact O-N 3.48Å; D263-E265 WeakPolarHBondContact OD1-CB 3.42Å; D263-E265 PolarHBondContact OD1-N 3.15Å; E265-E267 VanDerWaalsContact C-N 3.31Å; E265-E267 PolarHBondContact O-N 3.22Å; E265-G268 WeakPolarHBondContact O-CA 3.45Å; E265-G268 PolarHBondContact O-N 3.02Å; E265-R269 WeakPolarHBondContact O-CG 3.17Å; E265-R269 PolarHBondContact O-N 2.88Å
266	T	91.3	Very high	92.1	Very high	15 Å²	15	65.3 Å²	65.3	9%	0.092	35%	0.353	C	S	.	.	H	α-helix	trans	-54.4	-41.9	177.5	-74.3	0	0	0	0	112.7	D260 D263 G268 R269 I270	D260-T266 WeakPolarHBondContact O-CB 3.39Å; D260-T266 PolarHBondContact O-OG1 2.95Å; D263-T266 WeakPolarHBondContact O-CB 3.35Å; D263-T266 PolarHBondContact O-N 3.4Å; D263-T266 PolarHBondContact OD2-N 2.95Å; D263-T266 PolarHBondContact OD2-OG1 3.45Å; T266-G268 VanDerWaalsContact C-N 3.33Å; T266-G268 PolarHBondContact O-N 3.14Å; T266-R269 PolarHBondContact O-N 3.21Å; T266-I270 HydrophobicContact CG2-CD1 3.66Å; T266-I270 HydrophobicContact CG2-CG1 4.46Å; T266-I270 WeakPolarHBondContact O-CB 3.35Å; T266-I270 VanDerWaalsContact O-CG1 3.31Å; T266-I270 WeakPolarHBondContact O-CG1 3.47Å; T266-I270 PolarHBondContact O-N 3.25Å
267	E	91.4	Very high	92.2	Very high	56 Å²	56	62 Å²	62	26%	0.262	34%	0.338	S	S	.	.	H	α-helix	trans	-62	-42.1	176.6	-156.7	-152.4	119.4	0	0	110.7	E265 R271 W297 Q301 K303	E265-E267 VanDerWaalsContact C-N 3.31Å; E265-E267 PolarHBondContact O-N 3.22Å; E267-R271 WeakPolarHBondContact O-CB 3.3Å; E267-R271 PolarHBondContact O-N 2.89Å; E267-R271 VanDerWaalsContact O-N 3.12Å; E267-R271 IonicContact OE1-CZ 3.55Å; E267-R271 IonicContact OE1-NH1 3.7Å; E267-R271 PolarHBondContact OE1-NH1 3.14Å; E267-R271 IonicContact OE1-NH2 3.32Å; E267-R271 PolarHBondContact OE1-NH2 3.39Å; E267-W297 HydrophobicContact CG-CH2 4.11Å; E267-W297 HydrophobicContact CG-CZ2 4.07Å; E267-W297 VanDerWaalsContact O-CH2 3.31Å; E267-W297 WeakPolarHBondContact O-CH2 3.49Å; E267-Q301 HydrophobicContact CG-CG 4.26Å; E267-K303 VanDerWaalsContact CD-NZ 3.3Å; E267-K303 WeakPolarHBondContact OE1-CE 3.39Å; E267-K303 IonicContact OE1-NZ 3.79Å; E267-K303 PolarHBondContact OE1-NZ 3.01Å; E267-K303 WeakPolarHBondContact OE2-CE 3.24Å; E267-K303 IonicContact OE2-NZ 2.68Å; E267-K303 PolarHBondContact OE2-NZ 2.93Å
268	G	92.8	Very high	92.3	Very high	39 Å²	39	56.7 Å²	56.7	40%	0.402	31%	0.314	S	S	.	.	H	α-helix	trans	-66.6	-45.4	177.9	0	0	0	0	0	112.9	E265 T266 R271 A272	E265-G268 WeakPolarHBondContact O-CA 3.45Å; E265-G268 PolarHBondContact O-N 3.02Å; T266-G268 VanDerWaalsContact C-N 3.33Å; T266-G268 PolarHBondContact O-N 3.14Å; G268-R271 PolarHBondContact O-N 2.97Å; G268-A272 WeakPolarHBondContact O-CB 3.39Å; G268-A272 PolarHBondContact O-N 3.49Å
269	R	92.4	Very high	92.4	Very high	118 Å²	118	58.2 Å²	58.2	45%	0.445	32%	0.322	S	S	.	.	H	α-helix	trans	-67.3	-36.9	-178.7	-66.9	-172.6	-68.8	147.8	-4.2	112.6	D263 E265 T266 S273	D263-R269 IonicContact OD2-CZ 3.32Å; D263-R269 IonicContact OD2-NE 2.64Å; D263-R269 IonicContact OD2-NH2 2.82Å; D263-R269 PolarHBondContact OD2-NH2 3.32Å; E265-R269 WeakPolarHBondContact O-CG 3.17Å; E265-R269 PolarHBondContact O-N 2.88Å; T266-R269 PolarHBondContact O-N 3.21Å; R269-S273 WeakPolarHBondContact O-CB 3.5Å; R269-S273 PolarHBondContact O-N 2.91Å; R269-S273 PolarHBondContact O-OG 3.3Å
270	I	94.6	Very high	92.4	Very high	11 Å²	11	56.9 Å²	56.9	6%	0.056	31%	0.313	C	S	.	.	H	α-helix	trans	-68.6	-43.9	173.5	-66.2	167.7	0	0	0	110.9	I255 K256 T266 S273 Y274 W297	I255-I270 HydrophobicContact CD1-CG1 4.14Å; I255-I270 HydrophobicContact CG1-CG1 4.26Å; K256-I270 HydrophobicContact CG-CD1 4.17Å; K256-I270 HydrophobicContact CG-CG2 4.26Å; T266-I270 HydrophobicContact CG2-CD1 3.66Å; T266-I270 HydrophobicContact CG2-CG1 4.46Å; T266-I270 WeakPolarHBondContact O-CB 3.35Å; T266-I270 VanDerWaalsContact O-CG1 3.31Å; T266-I270 WeakPolarHBondContact O-CG1 3.47Å; T266-I270 PolarHBondContact O-N 3.25Å; I270-S273 WeakPolarHBondContact O-CB 3.23Å; I270-S273 PolarHBondContact O-N 3.15Å; I270-Y274 HydrophobicContact CG2-CD2 3.96Å; I270-Y274 HydrophobicContact CG2-CE2 3.91Å; I270-Y274 WeakPolarHBondContact O-CD2 3.15Å; I270-Y274 PolarHBondContact O-N 2.87Å; I270-W297 HydrophobicContact CB-CH2 4.24Å; I270-W297 HydrophobicContact CB-CZ2 3.88Å; I270-W297 HydrophobicContact CG2-CD2 3.97Å; I270-W297 HydrophobicContact CG2-CE3 4.36Å; I270-W297 HydrophobicContact CG2-CH2 4.06Å; I270-W297 HydrophobicContact CG2-CZ2 3.6Å; I270-W297 HydrophobicContact CG2-CZ3 4.4Å
271	R	95.2	Very high	92.8	Very high	52 Å²	52	52.8 Å²	52.8	20%	0.196	29%	0.291	C	S	.	.	H	α-helix	trans	-59.3	-48.3	174.8	-176.8	171.2	-69.8	106	5.2	112.4	E267 G268 S273 Y274 E275 W297 E298 N306	E267-R271 WeakPolarHBondContact O-CB 3.3Å; E267-R271 PolarHBondContact O-N 2.89Å; E267-R271 VanDerWaalsContact O-N 3.12Å; E267-R271 IonicContact OE1-CZ 3.55Å; E267-R271 IonicContact OE1-NH1 3.7Å; E267-R271 PolarHBondContact OE1-NH1 3.14Å; E267-R271 IonicContact OE1-NH2 3.32Å; E267-R271 PolarHBondContact OE1-NH2 3.39Å; G268-R271 PolarHBondContact O-N 2.97Å; R271-S273 VanDerWaalsContact C-N 3.26Å; R271-S273 PolarHBondContact O-N 3.22Å; R271-Y274 WeakPolarHBondContact O-CB 3.33Å; R271-Y274 PolarHBondContact O-N 3.08Å; R271-Y274 VanDerWaalsContact O-N 3.13Å; R271-E275 PolarHBondContact O-N 3.46Å; R271-W297 HydrophobicContact CB-CH2 3.79Å; R271-W297 HydrophobicContact CB-CZ3 3.71Å; R271-W297 HydrophobicContact CG-CZ3 4.28Å; R271-E298 IonicContact CZ-OE1 2.76Å; R271-E298 IonicContact CZ-OE2 2.59Å; R271-E298 IonicContact NE-OE1 2.82Å; R271-E298 PolarHBondContact NE-OE1 2.94Å; R271-E298 IonicContact NE-OE2 3.84Å; R271-E298 IonicContact NH2-OE1 3.63Å; R271-E298 PolarHBondContact NH2-OE1 2.66Å; R271-E298 IonicContact NH2-OE2 3.94Å; R271-E298 PolarHBondContact NH2-OE2 2.93Å; R271-N306 PolarHBondContact NE-ND2 3.02Å
272	A	94.9	Very high	93.3	Very high	45 Å²	45	47.2 Å²	47.2	37%	0.372	25%	0.254	S	S	.	.	H	α-helix	trans	-58.4	-40.8	176.9	0	0	0	0	0	111.3	G268 E275 H276	G268-A272 WeakPolarHBondContact O-CB 3.39Å; G268-A272 PolarHBondContact O-N 3.49Å; A272-E275 PolarHBondContact O-N 3.32Å; A272-H276 PolarHBondContact O-N 3.29Å; A272-H276 PolarHBondContact O-ND1 2.91Å
273	S	95.3	Very high	93.6	Very high	17 Å²	17	43.2 Å²	43.2	12%	0.119	24%	0.235	C	C	.	.	H	α-helix	trans	-64.5	-37.9	176.3	-60.2	0	0	0	0	112.7	I255 R269 I270 R271 A277	I255-S273 VanDerWaalsContact CD1-CB 3.43Å; I255-S273 WeakPolarHBondContact CD1-OG 3.38Å; R269-S273 WeakPolarHBondContact O-CB 3.5Å; R269-S273 PolarHBondContact O-N 2.91Å; R269-S273 PolarHBondContact O-OG 3.3Å; I270-S273 WeakPolarHBondContact O-CB 3.23Å; I270-S273 PolarHBondContact O-N 3.15Å; R271-S273 VanDerWaalsContact C-N 3.26Å; R271-S273 PolarHBondContact O-N 3.22Å; S273-A277 WeakPolarHBondContact O-CB 3.35Å; S273-A277 PolarHBondContact O-N 3.31Å
274	Y	97.5	Very high	93.8	Very high	1 Å²	1	42.2 Å²	42.2	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-65.2	-43	172.4	-90.1	-69.5	0	0	0	112.6	L252 K256 I270 R271 A277 V278 L290 S293 Y294 W297	L252-Y274 HydrophobicContact CD1-CD1 3.78Å; L252-Y274 HydrophobicContact CD1-CE1 3.69Å; L252-Y274 HydrophobicContact CD2-CD1 4.02Å; L252-Y274 HydrophobicContact CD2-CD2 4.06Å; L252-Y274 HydrophobicContact CD2-CE1 4.22Å; L252-Y274 HydrophobicContact CD2-CE2 4.24Å; L252-Y274 HydrophobicContact CD2-CG 3.93Å; L252-Y274 HydrophobicContact CG-CE1 4.4Å; K256-Y274 VanDerWaalsContact CE-OH 3.24Å; K256-Y274 WeakPolarHBondContact CE-OH 3.36Å; K256-Y274 PolarHBondContact NZ-OH 3.48Å; I270-Y274 HydrophobicContact CG2-CD2 3.96Å; I270-Y274 HydrophobicContact CG2-CE2 3.91Å; I270-Y274 WeakPolarHBondContact O-CD2 3.15Å; I270-Y274 PolarHBondContact O-N 2.87Å; R271-Y274 WeakPolarHBondContact O-CB 3.33Å; R271-Y274 PolarHBondContact O-N 3.08Å; R271-Y274 VanDerWaalsContact O-N 3.13Å; Y274-A277 WeakPolarHBondContact O-CB 3.22Å; Y274-A277 PolarHBondContact O-N 3.44Å; Y274-V278 WeakPolarHBondContact O-CG2 3.33Å; Y274-V278 PolarHBondContact O-N 3.37Å; Y274-L290 HydrophobicContact CD1-CD1 4.42Å; Y274-S293 PolarHBondContact OH-O 2.97Å; Y274-S293 PolarHBondContact OH-OG 3.34Å; Y274-Y294 VanDerWaalsContact CD1-CB 3.49Å; Y274-Y294 HydrophobicContact CD1-CD1 4.31Å; Y274-Y294 AromaticContact CD1-CD2 3.83Å; Y274-Y294 HydrophobicContact CD1-CD2 3.83Å; Y274-Y294 AromaticContact CD1-CG 3.63Å; Y274-Y294 HydrophobicContact CD1-CG 3.63Å; Y274-Y294 AromaticContact CD2-CD2 3.87Å; Y274-Y294 HydrophobicContact CD2-CD2 3.87Å; Y274-Y294 HydrophobicContact CD2-CE2 4.28Å; Y274-Y294 HydrophobicContact CE1-CD2 4.48Å; Y274-Y294 HydrophobicContact CE1-CG 4.32Å; Y274-Y294 HydrophobicContact CG-CD1 4.38Å; Y274-Y294 AromaticContact CG-CD2 3.48Å; Y274-Y294 HydrophobicContact CG-CD2 3.48Å; Y274-Y294 VanDerWaalsContact CG-CD2 3.48Å; Y274-Y294 AromaticContact CG-CE2 3.96Å; Y274-Y294 HydrophobicContact CG-CE2 3.96Å; Y274-Y294 AromaticContact CG-CG 3.74Å; Y274-Y294 HydrophobicContact CG-CG 3.74Å; Y274-W297 HydrophobicContact CD2-CD2 4.21Å; Y274-W297 AromaticContact CD2-CE3 3.83Å; Y274-W297 HydrophobicContact CD2-CE3 3.83Å; Y274-W297 HydrophobicContact CD2-CZ3 4.45Å; Y274-W297 HydrophobicContact CE2-CB 3.97Å; Y274-W297 AromaticContact CE2-CD2 3.91Å; Y274-W297 HydrophobicContact CE2-CD2 3.91Å; Y274-W297 AromaticContact CE2-CE3 3.99Å; Y274-W297 HydrophobicContact CE2-CE3 3.99Å; Y274-W297 AromaticContact CE2-CG 3.89Å; Y274-W297 HydrophobicContact CE2-CG 3.89Å
275	E	96.3	Very high	94.3	Very high	49 Å²	49	36.8 Å²	36.8	23%	0.229	19%	0.194	C	C	.	.	H	α-helix	trans	-60.2	-46.2	175.7	-76.4	-57.4	149	0	0	112.2	R271 A272 A277 V278 L279 Y294 R313	R271-E275 PolarHBondContact O-N 3.46Å; A272-E275 PolarHBondContact O-N 3.32Å; E275-A277 VanDerWaalsContact C-N 3.29Å; E275-A277 PolarHBondContact O-N 3Å; E275-V278 WeakPolarHBondContact O-CG2 3.43Å; E275-V278 PolarHBondContact O-N 3.34Å; E275-L279 WeakPolarHBondContact O-CB 3.37Å; E275-L279 WeakPolarHBondContact O-CG 3.42Å; E275-L279 PolarHBondContact O-N 3.24Å; E275-Y294 VanDerWaalsContact OE1-CE1 3.28Å; E275-Y294 WeakPolarHBondContact OE1-CE1 3.31Å; E275-Y294 PolarHBondContact OE1-OH 3.25Å; E275-R313 IonicContact OE1-CZ 2.69Å; E275-R313 IonicContact OE1-NH1 2.82Å; E275-R313 PolarHBondContact OE1-NH1 3.3Å; E275-R313 IonicContact OE1-NH2 3.78Å; E275-R313 IonicContact OE2-CZ 3.79Å; E275-R313 VanDerWaalsContact OE2-CZ 3.24Å; E275-R313 IonicContact OE2-NH1 3.25Å; E275-R313 PolarHBondContact OE2-NH1 2.76Å; E275-R313 IonicContact OE2-NH2 2.67Å; E275-R313 PolarHBondContact OE2-NH2 3.46Å
276	H	93.9	Very high	94.5	Very high	56 Å²	56	34 Å²	34	26%	0.259	18%	0.178	S	C	.	.	H	α-helix	trans	-59.6	-40.4	174.5	-74	79.9	0	0	0	111.7	W248 A272 L279 A280	W248-H276 HydrophobicContact CH2-CB 3.82Å; W248-H276 HydrophobicContact CZ3-CB 4.28Å; A272-H276 PolarHBondContact O-N 3.29Å; A272-H276 PolarHBondContact O-ND1 2.91Å; H276-L279 PolarHBondContact O-N 3.49Å; H276-A280 VanDerWaalsContact O-CB 3.26Å; H276-A280 WeakPolarHBondContact O-CB 3.42Å; H276-A280 PolarHBondContact O-N 3.31Å
277	A	96.1	Very high	94.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.6	-46.1	177.6	0	0	0	0	0	112.8	W248 L252 S273 Y274 E275 A280 A281 L290	W248-A277 HydrophobicContact CB-CB 4.15Å; W248-A277 HydrophobicContact CD2-CB 3.5Å; W248-A277 HydrophobicContact CE3-CB 3.39Å; W248-A277 HydrophobicContact CG-CB 3.86Å; W248-A277 HydrophobicContact CZ3-CB 3.92Å; L252-A277 HydrophobicContact CD1-CB 3.97Å; S273-A277 WeakPolarHBondContact O-CB 3.35Å; S273-A277 PolarHBondContact O-N 3.31Å; Y274-A277 WeakPolarHBondContact O-CB 3.22Å; Y274-A277 PolarHBondContact O-N 3.44Å; E275-A277 VanDerWaalsContact C-N 3.29Å; E275-A277 PolarHBondContact O-N 3Å; A277-A280 PolarHBondContact O-N 2.9Å; A277-A281 PolarHBondContact O-N 3.38Å; A277-L290 HydrophobicContact CB-CD1 3.83Å; A277-L290 HydrophobicContact CB-CD2 3.97Å; A277-L290 HydrophobicContact CB-CG 4.46Å
278	V	95.8	Very high	95.1	Very high	6 Å²	6	30.9 Å²	30.9	4%	0.036	16%	0.162	C	C	.	.	H	α-helix	trans	-75.1	-27.3	179.3	-62.6	0	0	0	0	112.9	Y274 E275 G282 L290 W291 Y294	Y274-V278 WeakPolarHBondContact O-CG2 3.33Å; Y274-V278 PolarHBondContact O-N 3.37Å; E275-V278 WeakPolarHBondContact O-CG2 3.43Å; E275-V278 PolarHBondContact O-N 3.34Å; V278-G282 WeakPolarHBondContact O-CA 3.35Å; V278-G282 PolarHBondContact O-N 2.86Å; V278-L290 HydrophobicContact CG1-CD2 4.02Å; V278-L290 HydrophobicContact CG1-CG 4.02Å; V278-W291 HydrophobicContact CB-CE3 4.49Å; V278-W291 HydrophobicContact CB-CH2 3.63Å; V278-W291 HydrophobicContact CB-CZ2 3.86Å; V278-W291 HydrophobicContact CB-CZ3 3.96Å; V278-W291 HydrophobicContact CG1-CD2 4.06Å; V278-W291 HydrophobicContact CG1-CE3 3.86Å; V278-W291 HydrophobicContact CG1-CH2 3.92Å; V278-W291 HydrophobicContact CG1-CZ2 4.09Å; V278-W291 HydrophobicContact CG1-CZ3 3.8Å; V278-W291 HydrophobicContact CG2-CH2 4.04Å; V278-W291 HydrophobicContact CG2-CZ3 4.2Å; V278-Y294 HydrophobicContact CG1-CD1 4.18Å; V278-Y294 HydrophobicContact CG2-CE1 4.43Å
279	L	92.9	Very high	95.4	Very high	86 Å²	86	35.3 Å²	35.3	45%	0.45	17%	0.167	S	C	.	.	H	α-helix	trans	-69.4	-32.8	170.9	-72.6	168.6	0	0	0	112.7	E275 H276	E275-L279 WeakPolarHBondContact O-CB 3.37Å; E275-L279 WeakPolarHBondContact O-CG 3.42Å; E275-L279 PolarHBondContact O-N 3.24Å; H276-L279 PolarHBondContact O-N 3.49Å
280	A	91.5	Very high	95.6	Very high	7 Å²	7	29.7 Å²	29.7	6%	0.058	15%	0.146	C	C	.	.	H	α-helix	trans	-90.1	-36.1	-178.3	0	0	0	0	0	114.3	A80 P242 W248 H276 A277	A80-A280 HydrophobicContact CB-CB 4.25Å; P242-A280 HydrophobicContact CB-CB 4.26Å; P242-A280 WeakPolarHBondContact O-CB 3.32Å; W248-A280 HydrophobicContact CZ2-CB 3.73Å; H276-A280 VanDerWaalsContact O-CB 3.26Å; H276-A280 WeakPolarHBondContact O-CB 3.42Å; H276-A280 PolarHBondContact O-N 3.31Å; A277-A280 PolarHBondContact O-N 2.9Å
281	A	95.2	Very high	95.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-131.9	-6.7	-172.1	0	0	0	0	0	114.8	V245 A277 T283 D284 S287 L290	V245-A281 HydrophobicContact CG2-CB 4.09Å; A277-A281 PolarHBondContact O-N 3.38Å; A281-T283 PolarHBondContact O-N 2.93Å; A281-T283 VanDerWaalsContact O-N 3.17Å; A281-D284 PolarHBondContact O-N 2.93Å; A281-D284 VanDerWaalsContact O-N 3.13Å; A281-S287 WeakPolarHBondContact O-CB 3.23Å; A281-L290 HydrophobicContact CB-CD2 4.39Å
282	G	95.4	Very high	96	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-10	-176.6	0	0	0	0	0	115	V278 S287 W291	V278-G282 WeakPolarHBondContact O-CA 3.35Å; V278-G282 PolarHBondContact O-N 2.86Å; G282-S287 PolarHBondContact O-OG 2.79Å; G282-S287 VanDerWaalsContact O-OG 3.09Å; G282-W291 PolarHBondContact O-NE1 3.43Å
283	T	94.4	Very high	96.1	Very high	54 Å²	54	28.8 Å²	28.8	33%	0.331	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-1.3	174.1	51.3	0	0	0	0	113.8	A281	A281-T283 PolarHBondContact O-N 2.93Å; A281-T283 VanDerWaalsContact O-N 3.17Å
284	D	95.2	Very high	96.3	Very high	21 Å²	21	28.1 Å²	28.1	11%	0.112	13%	0.134	C	C	.	.	S	Bend	trans	-67.4	135.8	167.8	-164.7	-57.3	0	0	0	109.6	V245 A281 R286 S287 R465	V245-D284 HydrophobicContact CG2-CB 4.31Å; A281-D284 PolarHBondContact O-N 2.93Å; A281-D284 VanDerWaalsContact O-N 3.13Å; D284-R286 PolarHBondContact O-N 3.14Å; D284-R286 PolarHBondContact OD1-N 2.94Å; D284-S287 WeakPolarHBondContact O-CB 3.37Å; D284-S287 PolarHBondContact O-N 2.76Å; D284-S287 PolarHBondContact O-OG 3.13Å; D284-R465 IonicContact OD1-CZ 2.76Å; D284-R465 IonicContact OD1-NE 2.7Å; D284-R465 PolarHBondContact OD1-NE 3.47Å; D284-R465 IonicContact OD1-NH2 3.79Å; D284-R465 PolarHBondContact OD1-NH2 2.94Å; D284-R465 IonicContact OD2-CZ 3.03Å; D284-R465 IonicContact OD2-NE 2.69Å; D284-R465 PolarHBondContact OD2-NE 3Å; D284-R465 IonicContact OD2-NH2 3.54Å
285	F	96.3	Very high	96.3	Very high	6 Å²	6	28.7 Å²	28.7	3%	0.026	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-20.9	176.4	-170.1	-102.2	0	0	0	113.7	P318 T319 Q320 V415 W419 E422	F285-P318 HydrophobicContact CD2-CB 4.39Å; F285-P318 WeakPolarHBondContact CD2-O 3.42Å; F285-T319 CarbonylContact O-C 3.5Å; F285-T319 WeakPolarHBondContact O-CA 3.5Å; F285-Q320 HydrophobicContact CD1-CB 4.03Å; F285-Q320 HydrophobicContact CE1-CB 3.74Å; F285-Q320 HydrophobicContact CE1-CG 4.07Å; F285-Q320 HydrophobicContact CZ-CB 4.39Å; F285-Q320 PolarHBondContact O-N 3.3Å; F285-V415 HydrophobicContact CE2-CG1 3.96Å; F285-V415 HydrophobicContact CE2-CG2 4.23Å; F285-V415 HydrophobicContact CZ-CG1 4.08Å; F285-W419 AromaticContact CZ-CE3 3.99Å; F285-W419 HydrophobicContact CZ-CE3 3.99Å; F285-W419 HydrophobicContact CZ-CZ3 4.19Å; F285-E422 HydrophobicContact CB-CG 3.99Å; F285-E422 WeakPolarHBondContact CB-OE1 3.39Å; F285-E422 WeakPolarHBondContact CB-OE2 3.42Å; F285-E422 HydrophobicContact CD1-CB 3.55Å; F285-E422 HydrophobicContact CD1-CG 3.6Å; F285-E422 HydrophobicContact CD2-CG 3.98Å; F285-E422 HydrophobicContact CE1-CB 3.64Å; F285-E422 HydrophobicContact CE1-CG 4.01Å; F285-E422 HydrophobicContact CE2-CG 4.35Å; F285-E422 HydrophobicContact CG-CB 4.1Å; F285-E422 HydrophobicContact CG-CG 3.58Å; F285-E422 HydrophobicContact CZ-CB 4.25Å; F285-E422 HydrophobicContact CZ-CG 4.37Å
286	R	96.3	Very high	96.4	Very high	75 Å²	75	29.2 Å²	29.2	28%	0.283	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	22.3	178.1	-54.1	-175.2	-170.6	179.7	3.8	112.9	D284 D288 E422 I425	D284-R286 PolarHBondContact O-N 3.14Å; D284-R286 PolarHBondContact OD1-N 2.94Å; R286-D288 PolarHBondContact O-N 2.69Å; R286-E422 PolarHBondContact NH2-O 2.69Å; R286-I425 PolarHBondContact NH2-O 3.25Å
287	S	97.4	Very high	96.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.			trans	-75	-0.2	177.5	62.4	0	0	0	0	114.4	A281 G282 D284 R289 L290 W291	A281-S287 WeakPolarHBondContact O-CB 3.23Å; G282-S287 PolarHBondContact O-OG 2.79Å; G282-S287 VanDerWaalsContact O-OG 3.09Å; D284-S287 WeakPolarHBondContact O-CB 3.37Å; D284-S287 PolarHBondContact O-N 2.76Å; D284-S287 PolarHBondContact O-OG 3.13Å; S287-R289 VanDerWaalsContact C-N 3.27Å; S287-R289 PolarHBondContact O-N 2.97Å; S287-R289 VanDerWaalsContact O-N 3.08Å; S287-L290 WeakPolarHBondContact O-CA 3.42Å; S287-L290 WeakPolarHBondContact O-CB 3.14Å; S287-L290 PolarHBondContact O-N 3.44Å; S287-W291 PolarHBondContact O-N 2.85Å; S287-W291 PolarHBondContact OG-NE1 3.15Å
288	D	98.2	Very high	96.5	Very high	6 Å²	6	27 Å²	27	3%	0.032	14%	0.136	C	C	.	.	H	α-helix	trans	-46.3	-45.8	-173.6	-54.7	-93.3	0	0	0	113.7	R286 L290 W291 E292 T319 L321 H325	R286-D288 PolarHBondContact O-N 2.69Å; D288-L290 VanDerWaalsContact C-N 3.27Å; D288-L290 PolarHBondContact O-N 3.02Å; D288-W291 PolarHBondContact O-N 2.99Å; D288-E292 WeakPolarHBondContact O-CB 3.42Å; D288-E292 VanDerWaalsContact O-CG 3.31Å; D288-E292 WeakPolarHBondContact O-CG 3.23Å; D288-E292 PolarHBondContact O-N 3.46Å; D288-T319 WeakPolarHBondContact OD1-CB 3.31Å; D288-L321 HydrophobicContact CB-CB 4.38Å; D288-L321 HydrophobicContact CB-CD1 4.1Å; D288-L321 HydrophobicContact CB-CG 4.23Å; D288-L321 WeakPolarHBondContact OD1-CA 3.26Å; D288-L321 VanDerWaalsContact OD1-CB 3.25Å; D288-L321 WeakPolarHBondContact OD1-CB 3.48Å; D288-L321 PolarHBondContact OD1-N 3.2Å; D288-H325 IonicContact OD1-CD2 2.74Å; D288-H325 IonicContact OD1-CE1 2.9Å; D288-H325 IonicContact OD1-NE2 2.72Å; D288-H325 PolarHBondContact OD1-NE2 2.67Å
289	R	98.1	Very high	96.5	Very high	132 Å²	132	29.4 Å²	29.4	50%	0.498	15%	0.15	S	C	.	.	H	α-helix	trans	-65.1	-26.8	-179.5	-72.5	172.4	57.7	-133.2	-4	113.7	D246 L249 S287 S293	D246-R289 IonicContact OD1-CZ 2.72Å; D246-R289 IonicContact OD1-NH1 2.78Å; D246-R289 PolarHBondContact OD1-NH1 2.98Å; D246-R289 IonicContact OD1-NH2 3.65Å; L249-R289 HydrophobicContact CD1-CB 3.84Å; S287-R289 VanDerWaalsContact C-N 3.27Å; S287-R289 PolarHBondContact O-N 2.97Å; S287-R289 VanDerWaalsContact O-N 3.08Å; R289-S293 VanDerWaalsContact O-CB 3.24Å; R289-S293 WeakPolarHBondContact O-CB 3.41Å; R289-S293 PolarHBondContact O-N 3.25Å; R289-S293 VanDerWaalsContact O-N 3.11Å
290	L	98.3	Very high	96.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-75	-46.8	175.6	176.7	62.2	0	0	0	110.6	V245 L249 L252 Y274 A277 V278 A281 S287 D288 S293 Y294	V245-L290 HydrophobicContact CG1-CB 4.16Å; L249-L290 HydrophobicContact CD2-CD1 4.35Å; L252-L290 HydrophobicContact CD1-CD1 3.48Å; L252-L290 VanDerWaalsContact CD1-CD1 3.48Å; Y274-L290 HydrophobicContact CD1-CD1 4.42Å; A277-L290 HydrophobicContact CB-CD1 3.83Å; A277-L290 HydrophobicContact CB-CD2 3.97Å; A277-L290 HydrophobicContact CB-CG 4.46Å; V278-L290 HydrophobicContact CG1-CD2 4.02Å; V278-L290 HydrophobicContact CG1-CG 4.02Å; A281-L290 HydrophobicContact CB-CD2 4.39Å; S287-L290 WeakPolarHBondContact O-CA 3.42Å; S287-L290 WeakPolarHBondContact O-CB 3.14Å; S287-L290 PolarHBondContact O-N 3.44Å; D288-L290 VanDerWaalsContact C-N 3.27Å; D288-L290 PolarHBondContact O-N 3.02Å; L290-S293 PolarHBondContact O-N 3.38Å; L290-Y294 PolarHBondContact O-N 2.99Å
291	W	98.4	Very high	96.7	Very high	3 Å²	3	33.2 Å²	33.2	1%	0.011	17%	0.165	C	C	.	.	H	α-helix	trans	-60.9	-46.8	174.5	-67.2	109	0	0	0	111.6	V278 G282 S287 D288 S293 Y294 I295 I310 R313 V314 I317	V278-W291 HydrophobicContact CB-CE3 4.49Å; V278-W291 HydrophobicContact CB-CH2 3.63Å; V278-W291 HydrophobicContact CB-CZ2 3.86Å; V278-W291 HydrophobicContact CB-CZ3 3.96Å; V278-W291 HydrophobicContact CG1-CD2 4.06Å; V278-W291 HydrophobicContact CG1-CE3 3.86Å; V278-W291 HydrophobicContact CG1-CH2 3.92Å; V278-W291 HydrophobicContact CG1-CZ2 4.09Å; V278-W291 HydrophobicContact CG1-CZ3 3.8Å; V278-W291 HydrophobicContact CG2-CH2 4.04Å; V278-W291 HydrophobicContact CG2-CZ3 4.2Å; G282-W291 PolarHBondContact O-NE1 3.43Å; S287-W291 PolarHBondContact O-N 2.85Å; S287-W291 PolarHBondContact OG-NE1 3.15Å; D288-W291 PolarHBondContact O-N 2.99Å; W291-S293 VanDerWaalsContact C-N 3.32Å; W291-S293 PolarHBondContact O-N 3.36Å; W291-Y294 PolarHBondContact O-N 3.06Å; W291-I295 WeakPolarHBondContact O-CB 3.49Å; W291-I295 WeakPolarHBondContact O-CD1 3.31Å; W291-I295 VanDerWaalsContact O-CG1 3.23Å; W291-I295 WeakPolarHBondContact O-CG1 3.45Å; W291-I295 PolarHBondContact O-N 3.29Å; W291-I310 HydrophobicContact CE3-CG2 3.74Å; W291-I310 HydrophobicContact CZ3-CG2 4.01Å; W291-R313 HydrophobicContact CH2-CB 4.19Å; W291-R313 HydrophobicContact CZ3-CB 4.28Å; W291-V314 HydrophobicContact CB-CG2 3.99Å; W291-V314 HydrophobicContact CD2-CB 3.84Å; W291-V314 HydrophobicContact CD2-CG2 3.74Å; W291-V314 HydrophobicContact CE3-CB 3.99Å; W291-V314 HydrophobicContact CE3-CG2 4.39Å; W291-V314 HydrophobicContact CG-CB 4.1Å; W291-V314 HydrophobicContact CG-CG2 3.53Å; W291-V314 HydrophobicContact CZ3-CB 4.47Å; W291-I317 HydrophobicContact CH2-CD1 4.07Å; W291-I317 HydrophobicContact CZ2-CD1 3.51Å
292	E	98.1	Very high	96.6	Very high	51 Å²	51	40.1 Å²	40.1	24%	0.238	20%	0.197	C	C	.	.	H	α-helix	trans	-56.4	-43.4	173.2	-74	175.9	172.2	0	0	112.5	D288 Y294 I295 S296 H325 R328	D288-E292 WeakPolarHBondContact O-CB 3.42Å; D288-E292 VanDerWaalsContact O-CG 3.31Å; D288-E292 WeakPolarHBondContact O-CG 3.23Å; D288-E292 PolarHBondContact O-N 3.46Å; E292-Y294 VanDerWaalsContact C-N 3.35Å; E292-Y294 PolarHBondContact O-N 3.25Å; E292-I295 PolarHBondContact O-N 2.88Å; E292-S296 WeakPolarHBondContact O-CB 3.34Å; E292-S296 PolarHBondContact O-N 3.44Å; E292-H325 IonicContact OE1-CE1 2.63Å; E292-R328 IonicContact OE1-CZ 3.83Å; E292-R328 IonicContact OE1-NH1 3.77Å; E292-R328 PolarHBondContact OE1-NH1 2.92Å; E292-R328 IonicContact OE1-NH2 2.71Å; E292-R328 PolarHBondContact OE1-NH2 3.39Å
293	S	98.2	Very high	96.5	Very high	34 Å²	34	43.7 Å²	43.7	24%	0.238	21%	0.212	C	C	.	.	H	α-helix	trans	-65.2	-37.2	179	-171.4	0	0	0	0	112.6	Y274 R289 L290 W291 W297	Y274-S293 PolarHBondContact OH-O 2.97Å; Y274-S293 PolarHBondContact OH-OG 3.34Å; R289-S293 VanDerWaalsContact O-CB 3.24Å; R289-S293 WeakPolarHBondContact O-CB 3.41Å; R289-S293 PolarHBondContact O-N 3.25Å; R289-S293 VanDerWaalsContact O-N 3.11Å; L290-S293 PolarHBondContact O-N 3.38Å; W291-S293 VanDerWaalsContact C-N 3.32Å; W291-S293 PolarHBondContact O-N 3.36Å; S293-W297 WeakPolarHBondContact O-CB 3.48Å; S293-W297 PolarHBondContact O-N 3.27Å
294	Y	98.3	Very high	96.5	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.016	20%	0.202	C	C	.	.	H	α-helix	trans	-72.2	-45.6	177.4	-166.3	-171.6	0	0	0	111.4	Y274 E275 V278 L290 W291 E292 S296 W297 E298 I310	Y274-Y294 VanDerWaalsContact CD1-CB 3.49Å; Y274-Y294 HydrophobicContact CD1-CD1 4.31Å; Y274-Y294 AromaticContact CD1-CD2 3.83Å; Y274-Y294 HydrophobicContact CD1-CD2 3.83Å; Y274-Y294 AromaticContact CD1-CG 3.63Å; Y274-Y294 HydrophobicContact CD1-CG 3.63Å; Y274-Y294 AromaticContact CD2-CD2 3.87Å; Y274-Y294 HydrophobicContact CD2-CD2 3.87Å; Y274-Y294 HydrophobicContact CD2-CE2 4.28Å; Y274-Y294 HydrophobicContact CE1-CD2 4.48Å; Y274-Y294 HydrophobicContact CE1-CG 4.32Å; Y274-Y294 HydrophobicContact CG-CD1 4.38Å; Y274-Y294 AromaticContact CG-CD2 3.48Å; Y274-Y294 HydrophobicContact CG-CD2 3.48Å; Y274-Y294 VanDerWaalsContact CG-CD2 3.48Å; Y274-Y294 AromaticContact CG-CE2 3.96Å; Y274-Y294 HydrophobicContact CG-CE2 3.96Å; Y274-Y294 AromaticContact CG-CG 3.74Å; Y274-Y294 HydrophobicContact CG-CG 3.74Å; E275-Y294 VanDerWaalsContact OE1-CE1 3.28Å; E275-Y294 WeakPolarHBondContact OE1-CE1 3.31Å; E275-Y294 PolarHBondContact OE1-OH 3.25Å; V278-Y294 HydrophobicContact CG1-CD1 4.18Å; V278-Y294 HydrophobicContact CG2-CE1 4.43Å; L290-Y294 PolarHBondContact O-N 2.99Å; W291-Y294 PolarHBondContact O-N 3.06Å; E292-Y294 VanDerWaalsContact C-N 3.35Å; E292-Y294 PolarHBondContact O-N 3.25Å; Y294-S296 PolarHBondContact O-N 3.08Å; Y294-W297 HydrophobicContact CD2-CE3 4.19Å; Y294-W297 HydrophobicContact CE2-CE3 4.16Å; Y294-W297 HydrophobicContact CE2-CZ3 4.34Å; Y294-W297 PolarHBondContact O-N 3.08Å; Y294-W297 VanDerWaalsContact O-N 3.13Å; Y294-E298 HydrophobicContact CD2-CG 3.97Å; Y294-E298 HydrophobicContact CE2-CG 3.73Å; Y294-E298 WeakPolarHBondContact CE2-OE1 3.4Å; Y294-E298 PolarHBondContact O-N 3.36Å; Y294-I310 HydrophobicContact CD1-CD1 3.7Å; Y294-I310 HydrophobicContact CD1-CG1 4.04Å; Y294-I310 HydrophobicContact CD1-CG2 4.35Å; Y294-I310 HydrophobicContact CD2-CD1 3.77Å; Y294-I310 HydrophobicContact CE1-CD1 3.67Å; Y294-I310 HydrophobicContact CE1-CG1 3.86Å; Y294-I310 HydrophobicContact CE2-CD1 3.72Å; Y294-I310 HydrophobicContact CG-CD1 3.75Å
295	I	98.2	Very high	96.5	Very high	13 Å²	13	43.1 Å²	43.1	7%	0.067	21%	0.212	C	C	.	.	H	α-helix	trans	-58.3	-46.3	176.2	-70.4	165.4	0	0	0	111	W291 E292 W297 T299 V307 I310 Y311	W291-I295 WeakPolarHBondContact O-CB 3.49Å; W291-I295 WeakPolarHBondContact O-CD1 3.31Å; W291-I295 VanDerWaalsContact O-CG1 3.23Å; W291-I295 WeakPolarHBondContact O-CG1 3.45Å; W291-I295 PolarHBondContact O-N 3.29Å; E292-I295 PolarHBondContact O-N 2.88Å; I295-W297 VanDerWaalsContact C-N 3.31Å; I295-W297 PolarHBondContact O-N 3.42Å; I295-T299 WeakPolarHBondContact O-CB 3.45Å; I295-T299 PolarHBondContact O-N 2.76Å; I295-T299 VanDerWaalsContact O-N 3.09Å; I295-T299 PolarHBondContact O-OG1 3.01Å; I295-V307 HydrophobicContact CG2-CG1 4.28Å; I295-I310 HydrophobicContact CD1-CG2 4.1Å; I295-I310 HydrophobicContact CG1-CB 4.31Å; I295-I310 HydrophobicContact CG1-CG2 3.55Å; I295-Y311 HydrophobicContact CD1-CD1 4.11Å; I295-Y311 HydrophobicContact CD1-CE1 3.74Å; I295-Y311 HydrophobicContact CG2-CE2 4.14Å
296	S	97.6	Very high	96.4	Very high	59 Å²	59	45.4 Å²	45.4	41%	0.413	23%	0.225	S	C	.	.	H	α-helix	trans	-57.5	-46.7	175.1	-167.2	0	0	0	0	110.7	E292 Y294 T299 E300	E292-S296 WeakPolarHBondContact O-CB 3.34Å; E292-S296 PolarHBondContact O-N 3.44Å; Y294-S296 PolarHBondContact O-N 3.08Å; S296-T299 CarbonylContact O-C 3.58Å; S296-T299 WeakPolarHBondContact O-CB 3.38Å; S296-T299 PolarHBondContact O-N 2.97Å; S296-E300 VanDerWaalsContact C-OE1 3.28Å; S296-E300 WeakPolarHBondContact CB-OE1 3.14Å; S296-E300 VanDerWaalsContact O-CD 3.3Å; S296-E300 VanDerWaalsContact O-CG 3.24Å; S296-E300 WeakPolarHBondContact O-CG 3.27Å; S296-E300 PolarHBondContact O-N 3.4Å; S296-E300 PolarHBondContact OG-OE1 2.82Å
297	W	96.8	Very high	96.5	Very high	11 Å²	11	41.9 Å²	41.9	4%	0.042	21%	0.212	C	C	.	.	H	α-helix	trans	-66.6	-43.6	-175.8	-175.4	61.7	0	0	0	114.2	K256 E267 I270 R271 Y274 S293 Y294 I295 T299 E300 Q301	K256-W297 VanDerWaalsContact CE-CD1 3.4Å; K256-W297 VanDerWaalsContact NZ-CD1 3.28Å; E267-W297 HydrophobicContact CG-CH2 4.11Å; E267-W297 HydrophobicContact CG-CZ2 4.07Å; E267-W297 VanDerWaalsContact O-CH2 3.31Å; E267-W297 WeakPolarHBondContact O-CH2 3.49Å; I270-W297 HydrophobicContact CB-CH2 4.24Å; I270-W297 HydrophobicContact CB-CZ2 3.88Å; I270-W297 HydrophobicContact CG2-CD2 3.97Å; I270-W297 HydrophobicContact CG2-CE3 4.36Å; I270-W297 HydrophobicContact CG2-CH2 4.06Å; I270-W297 HydrophobicContact CG2-CZ2 3.6Å; I270-W297 HydrophobicContact CG2-CZ3 4.4Å; R271-W297 HydrophobicContact CB-CH2 3.79Å; R271-W297 HydrophobicContact CB-CZ3 3.71Å; R271-W297 HydrophobicContact CG-CZ3 4.28Å; Y274-W297 HydrophobicContact CD2-CD2 4.21Å; Y274-W297 AromaticContact CD2-CE3 3.83Å; Y274-W297 HydrophobicContact CD2-CE3 3.83Å; Y274-W297 HydrophobicContact CD2-CZ3 4.45Å; Y274-W297 HydrophobicContact CE2-CB 3.97Å; Y274-W297 AromaticContact CE2-CD2 3.91Å; Y274-W297 HydrophobicContact CE2-CD2 3.91Å; Y274-W297 AromaticContact CE2-CE3 3.99Å; Y274-W297 HydrophobicContact CE2-CE3 3.99Å; Y274-W297 AromaticContact CE2-CG 3.89Å; Y274-W297 HydrophobicContact CE2-CG 3.89Å; S293-W297 WeakPolarHBondContact O-CB 3.48Å; S293-W297 PolarHBondContact O-N 3.27Å; Y294-W297 HydrophobicContact CD2-CE3 4.19Å; Y294-W297 HydrophobicContact CE2-CE3 4.16Å; Y294-W297 HydrophobicContact CE2-CZ3 4.34Å; Y294-W297 PolarHBondContact O-N 3.08Å; Y294-W297 VanDerWaalsContact O-N 3.13Å; I295-W297 VanDerWaalsContact C-N 3.31Å; I295-W297 PolarHBondContact O-N 3.42Å; W297-T299 VanDerWaalsContact C-N 3.26Å; W297-T299 PolarHBondContact O-N 3.14Å; W297-E300 WeakPolarHBondContact O-CB 3.32Å; W297-E300 PolarHBondContact O-N 2.91Å; W297-Q301 HydrophobicContact CD2-CG 4.23Å; W297-Q301 HydrophobicContact CH2-CG 4.07Å; W297-Q301 HydrophobicContact CZ2-CG 3.65Å; W297-Q301 WeakPolarHBondContact O-CG 3.32Å; W297-Q301 PolarHBondContact O-N 2.72Å
298	E	96.6	Very high	96.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-67.2	-30.3	174.4	-69.4	-70.7	-179.8	0	0	112	R271 Y294 Q301 Q302 K303 N306 V307 I310	R271-E298 IonicContact CZ-OE1 2.76Å; R271-E298 IonicContact CZ-OE2 2.59Å; R271-E298 IonicContact NE-OE1 2.82Å; R271-E298 PolarHBondContact NE-OE1 2.94Å; R271-E298 IonicContact NE-OE2 3.84Å; R271-E298 IonicContact NH2-OE1 3.63Å; R271-E298 PolarHBondContact NH2-OE1 2.66Å; R271-E298 IonicContact NH2-OE2 3.94Å; R271-E298 PolarHBondContact NH2-OE2 2.93Å; Y294-E298 HydrophobicContact CD2-CG 3.97Å; Y294-E298 HydrophobicContact CE2-CG 3.73Å; Y294-E298 WeakPolarHBondContact CE2-OE1 3.4Å; Y294-E298 PolarHBondContact O-N 3.36Å; E298-Q301 CarbonylContact O-C 3.51Å; E298-Q301 PolarHBondContact O-N 2.96Å; E298-Q302 PolarHBondContact O-N 2.94Å; E298-Q302 VanDerWaalsContact O-N 3.12Å; E298-K303 PolarHBondContact O-N 3.33Å; E298-K303 WeakPolarHBondContact OE2-CB 3.25Å; E298-K303 WeakPolarHBondContact OE2-CG 3.43Å; E298-N306 HydrophobicContact CB-CB 4.3Å; E298-N306 HydrophobicContact CG-CB 4.03Å; E298-N306 PolarHBondContact OE1-ND2 2.91Å; E298-N306 PolarHBondContact OE2-ND2 3.35Å; E298-V307 HydrophobicContact CB-CG2 3.63Å; E298-I310 HydrophobicContact CB-CD1 4.39Å; E298-I310 HydrophobicContact CG-CD1 3.69Å
299	T	95.7	Very high	96.3	Very high	55 Å²	55	45.7 Å²	45.7	34%	0.337	24%	0.236	S	C	.	.	H	α-helix	trans	-67.5	-42.1	171.8	-54.2	0	0	0	0	110.8	I295 S296 W297 Q301 Q302 V307	I295-T299 WeakPolarHBondContact O-CB 3.45Å; I295-T299 PolarHBondContact O-N 2.76Å; I295-T299 VanDerWaalsContact O-N 3.09Å; I295-T299 PolarHBondContact O-OG1 3.01Å; S296-T299 CarbonylContact O-C 3.58Å; S296-T299 WeakPolarHBondContact O-CB 3.38Å; S296-T299 PolarHBondContact O-N 2.97Å; W297-T299 VanDerWaalsContact C-N 3.26Å; W297-T299 PolarHBondContact O-N 3.14Å; T299-Q301 VanDerWaalsContact C-N 3.31Å; T299-Q301 PolarHBondContact O-N 3.2Å; T299-Q302 WeakPolarHBondContact O-CA 3.2Å; T299-Q302 PolarHBondContact O-N 3.02Å; T299-Q302 PolarHBondContact O-NE2 2.97Å; T299-V307 WeakPolarHBondContact OG1-CG2 3.49Å
300	E	94.5	Very high	96.3	Very high	108 Å²	108	39.6 Å²	39.6	51%	0.505	21%	0.213	S	C	.	.	H	α-helix	trans	-60.1	-39.7	171.7	-67.4	148.1	-145.7	0	0	111.3	S296 W297 Q302	S296-E300 VanDerWaalsContact C-OE1 3.28Å; S296-E300 WeakPolarHBondContact CB-OE1 3.14Å; S296-E300 VanDerWaalsContact O-CD 3.3Å; S296-E300 VanDerWaalsContact O-CG 3.24Å; S296-E300 WeakPolarHBondContact O-CG 3.27Å; S296-E300 PolarHBondContact O-N 3.4Å; S296-E300 PolarHBondContact OG-OE1 2.82Å; W297-E300 WeakPolarHBondContact O-CB 3.32Å; W297-E300 PolarHBondContact O-N 2.91Å; E300-Q302 PolarHBondContact O-N 3.2Å
301	Q	93.3	Very high	96.3	Very high	66 Å²	66	40.1 Å²	40.1	31%	0.308	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	0.4	174	-57.9	-32.3	-71.6	0	0	114	E267 W297 E298 T299 K303	E267-Q301 HydrophobicContact CG-CG 4.26Å; W297-Q301 HydrophobicContact CD2-CG 4.23Å; W297-Q301 HydrophobicContact CH2-CG 4.07Å; W297-Q301 HydrophobicContact CZ2-CG 3.65Å; W297-Q301 WeakPolarHBondContact O-CG 3.32Å; W297-Q301 PolarHBondContact O-N 2.72Å; E298-Q301 CarbonylContact O-C 3.51Å; E298-Q301 PolarHBondContact O-N 2.96Å; T299-Q301 VanDerWaalsContact C-N 3.31Å; T299-Q301 PolarHBondContact O-N 3.2Å; Q301-K303 HydrophobicContact CB-CG 3.74Å; Q301-K303 WeakPolarHBondContact O-CE 3.25Å; Q301-K303 PolarHBondContact O-N 3.05Å
302	Q	93.1	Very high	96.2	Very high	144 Å²	144	42.7 Å²	42.7	67%	0.673	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	21.4	-176.9	-57.4	-72.3	-85.2	0	0	114.6	E298 T299 E300 L304	E298-Q302 PolarHBondContact O-N 2.94Å; E298-Q302 VanDerWaalsContact O-N 3.12Å; T299-Q302 WeakPolarHBondContact O-CA 3.2Å; T299-Q302 PolarHBondContact O-N 3.02Å; T299-Q302 PolarHBondContact O-NE2 2.97Å; E300-Q302 PolarHBondContact O-N 3.2Å; Q302-L304 VanDerWaalsContact C-N 3.29Å; Q302-L304 PolarHBondContact O-N 3.36Å
303	K	93.8	Very high	96.2	Very high	76 Å²	76	43.8 Å²	43.8	33%	0.33	23%	0.231	S	C	.	.			trans	-87.9	64.9	-178.8	-47.5	-71.2	172.8	147.4	0	110.3	E267 E298 Q301 A305 N306 V307	E267-K303 VanDerWaalsContact CD-NZ 3.3Å; E267-K303 WeakPolarHBondContact OE1-CE 3.39Å; E267-K303 IonicContact OE1-NZ 3.79Å; E267-K303 PolarHBondContact OE1-NZ 3.01Å; E267-K303 WeakPolarHBondContact OE2-CE 3.24Å; E267-K303 IonicContact OE2-NZ 2.68Å; E267-K303 PolarHBondContact OE2-NZ 2.93Å; E298-K303 PolarHBondContact O-N 3.33Å; E298-K303 WeakPolarHBondContact OE2-CB 3.25Å; E298-K303 WeakPolarHBondContact OE2-CG 3.43Å; Q301-K303 HydrophobicContact CB-CG 3.74Å; Q301-K303 WeakPolarHBondContact O-CE 3.25Å; Q301-K303 PolarHBondContact O-N 3.05Å; K303-A305 PolarHBondContact O-N 3.19Å; K303-A305 VanDerWaalsContact O-N 3.07Å; K303-N306 HydrophobicContact CB-CB 3.99Å; K303-N306 WeakPolarHBondContact CB-ND2 3.43Å; K303-N306 WeakPolarHBondContact O-CB 3.09Å; K303-N306 PolarHBondContact O-N 2.71Å; K303-V307 PolarHBondContact O-N 3.46Å
304	L	94.4	Very high	96.1	Very high	23 Å²	23	42.2 Å²	42.2	12%	0.12	22%	0.22	C	C	.	.	H	α-helix	trans	-58.3	-26.5	-171	-62.1	176.2	0	0	0	114.4	Q302 T308 N336 Y340 F341	Q302-L304 VanDerWaalsContact C-N 3.29Å; Q302-L304 PolarHBondContact O-N 3.36Å; L304-T308 PolarHBondContact O-N 3.13Å; L304-T308 PolarHBondContact O-OG1 2.59Å; L304-N336 HydrophobicContact CD1-CB 4.3Å; L304-N336 WeakPolarHBondContact CD1-OD1 3.4Å; L304-Y340 WeakPolarHBondContact CB-O 3.25Å; L304-F341 HydrophobicContact CB-CB 4.07Å
305	A	94.3	Very high	96.1	Very high	39 Å²	39	42.2 Å²	42.2	32%	0.322	22%	0.22	S	C	.	.	H	α-helix	trans	-67.3	-44.9	171.3	0	0	0	0	0	112.6	K303 V307 T308 T309 Y340	K303-A305 PolarHBondContact O-N 3.19Å; K303-A305 VanDerWaalsContact O-N 3.07Å; A305-V307 VanDerWaalsContact C-N 3.26Å; A305-V307 PolarHBondContact O-N 2.9Å; A305-T308 WeakPolarHBondContact O-CB 3.43Å; A305-T308 PolarHBondContact O-N 2.76Å; A305-T308 VanDerWaalsContact O-N 3.1Å; A305-T309 PolarHBondContact O-N 2.88Å; A305-T309 PolarHBondContact O-OG1 2.94Å; A305-Y340 PolarHBondContact N-O 3.22Å
306	N	95.5	Very high	96	Very high	55 Å²	55	43.7 Å²	43.7	29%	0.294	24%	0.238	S	C	.	.	H	α-helix	trans	-58.7	-41	175	-62.1	-0.2	0	0	0	110.7	R271 E298 K303 T308 T309 I310	R271-N306 PolarHBondContact NE-ND2 3.02Å; E298-N306 HydrophobicContact CB-CB 4.3Å; E298-N306 HydrophobicContact CG-CB 4.03Å; E298-N306 PolarHBondContact OE1-ND2 2.91Å; E298-N306 PolarHBondContact OE2-ND2 3.35Å; K303-N306 HydrophobicContact CB-CB 3.99Å; K303-N306 WeakPolarHBondContact CB-ND2 3.43Å; K303-N306 WeakPolarHBondContact O-CB 3.09Å; K303-N306 PolarHBondContact O-N 2.71Å; N306-T308 VanDerWaalsContact C-N 3.32Å; N306-T308 PolarHBondContact O-N 3.42Å; N306-T309 PolarHBondContact O-N 3.16Å; N306-T309 VanDerWaalsContact O-N 3.16Å; N306-I310 VanDerWaalsContact O-CG1 3.3Å; N306-I310 WeakPolarHBondContact O-CG1 3.44Å; N306-I310 PolarHBondContact O-N 3.3Å
307	V	97.3	Very high	95.9	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-57.1	-44.7	175.7	175.7	0	0	0	0	111.1	I295 E298 T299 K303 A305 I310 Y311	I295-V307 HydrophobicContact CG2-CG1 4.28Å; E298-V307 HydrophobicContact CB-CG2 3.63Å; T299-V307 WeakPolarHBondContact OG1-CG2 3.49Å; K303-V307 PolarHBondContact O-N 3.46Å; A305-V307 VanDerWaalsContact C-N 3.26Å; A305-V307 PolarHBondContact O-N 2.9Å; V307-I310 PolarHBondContact O-N 3.2Å; V307-Y311 HydrophobicContact CG1-CD2 3.84Å; V307-Y311 HydrophobicContact CG1-CE2 3.59Å; V307-Y311 WeakPolarHBondContact O-CD2 3.27Å; V307-Y311 PolarHBondContact O-N 3.45Å
308	T	96.2	Very high	95.9	Very high	4 Å²	4	42.5 Å²	42.5	3%	0.025	23%	0.228	C	C	.	.	H	α-helix	trans	-63.2	-44.9	174.3	-50.1	0	0	0	0	112	L304 A305 N306 I310 Y311 D312 F329 H332 F341	L304-T308 PolarHBondContact O-N 3.13Å; L304-T308 PolarHBondContact O-OG1 2.59Å; A305-T308 WeakPolarHBondContact O-CB 3.43Å; A305-T308 PolarHBondContact O-N 2.76Å; A305-T308 VanDerWaalsContact O-N 3.1Å; N306-T308 VanDerWaalsContact C-N 3.32Å; N306-T308 PolarHBondContact O-N 3.42Å; T308-I310 VanDerWaalsContact C-N 3.26Å; T308-I310 PolarHBondContact O-N 3.45Å; T308-Y311 WeakPolarHBondContact O-CB 3.32Å; T308-Y311 PolarHBondContact O-N 2.98Å; T308-Y311 VanDerWaalsContact O-N 3.1Å; T308-D312 PolarHBondContact O-N 3.48Å; T308-F329 HydrophobicContact CG2-CE2 4.5Å; T308-H332 PolarHBondContact OG1-NE2 3.45Å; T308-H332 VanDerWaalsContact OG1-NE2 3.08Å; T308-F341 WeakPolarHBondContact CB-O 3.43Å; T308-F341 HydrophobicContact CG2-CD2 4.49Å; T308-F341 WeakPolarHBondContact OG1-CB 3.36Å; T308-F341 PolarHBondContact OG1-O 3.11Å
309	T	96.3	Very high	96	Very high	82 Å²	82	42.5 Å²	42.5	50%	0.503	23%	0.228	S	C	.	.	H	α-helix	trans	-61.3	-33.2	177.2	-51.2	0	0	0	0	112.7	A305 N306 R313	A305-T309 PolarHBondContact O-N 2.88Å; A305-T309 PolarHBondContact O-OG1 2.94Å; N306-T309 PolarHBondContact O-N 3.16Å; N306-T309 VanDerWaalsContact O-N 3.16Å; T309-R313 WeakPolarHBondContact O-CD 3.47Å; T309-R313 WeakPolarHBondContact O-CG 3.46Å; T309-R313 PolarHBondContact O-N 2.8Å
310	I	97.7	Very high	96	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-71.9	-40.8	173.9	-65.6	161.7	0	0	0	110.9	W291 Y294 I295 E298 N306 V307 T308 R313 V314	W291-I310 HydrophobicContact CE3-CG2 3.74Å; W291-I310 HydrophobicContact CZ3-CG2 4.01Å; Y294-I310 HydrophobicContact CD1-CD1 3.7Å; Y294-I310 HydrophobicContact CD1-CG1 4.04Å; Y294-I310 HydrophobicContact CD1-CG2 4.35Å; Y294-I310 HydrophobicContact CD2-CD1 3.77Å; Y294-I310 HydrophobicContact CE1-CD1 3.67Å; Y294-I310 HydrophobicContact CE1-CG1 3.86Å; Y294-I310 HydrophobicContact CE2-CD1 3.72Å; Y294-I310 HydrophobicContact CG-CD1 3.75Å; I295-I310 HydrophobicContact CD1-CG2 4.1Å; I295-I310 HydrophobicContact CG1-CB 4.31Å; I295-I310 HydrophobicContact CG1-CG2 3.55Å; E298-I310 HydrophobicContact CB-CD1 4.39Å; E298-I310 HydrophobicContact CG-CD1 3.69Å; N306-I310 VanDerWaalsContact O-CG1 3.3Å; N306-I310 WeakPolarHBondContact O-CG1 3.44Å; N306-I310 PolarHBondContact O-N 3.3Å; V307-I310 PolarHBondContact O-N 3.2Å; T308-I310 VanDerWaalsContact C-N 3.26Å; T308-I310 PolarHBondContact O-N 3.45Å; I310-R313 PolarHBondContact O-N 2.89Å; I310-V314 PolarHBondContact O-N 3.46Å
311	Y	98.1	Very high	96.2	Very high	10 Å²	10	41 Å²	41	4%	0.039	22%	0.219	C	C	.	.	H	α-helix	trans	-60.8	-47.3	172.9	-82.1	-61	0	0	0	112.4	I295 V307 T308 R313 V314 L315 H325 R328 F329 H332	I295-Y311 HydrophobicContact CD1-CD1 4.11Å; I295-Y311 HydrophobicContact CD1-CE1 3.74Å; I295-Y311 HydrophobicContact CG2-CE2 4.14Å; V307-Y311 HydrophobicContact CG1-CD2 3.84Å; V307-Y311 HydrophobicContact CG1-CE2 3.59Å; V307-Y311 WeakPolarHBondContact O-CD2 3.27Å; V307-Y311 PolarHBondContact O-N 3.45Å; T308-Y311 WeakPolarHBondContact O-CB 3.32Å; T308-Y311 PolarHBondContact O-N 2.98Å; T308-Y311 VanDerWaalsContact O-N 3.1Å; Y311-R313 PolarHBondContact O-N 3.43Å; Y311-R313 VanDerWaalsContact O-N 3.11Å; Y311-V314 HydrophobicContact CD1-CG1 4.33Å; Y311-V314 PolarHBondContact O-N 2.84Å; Y311-L315 VanDerWaalsContact O-CB 3.3Å; Y311-L315 WeakPolarHBondContact O-CB 3.39Å; Y311-L315 WeakPolarHBondContact O-CG 3.19Å; Y311-L315 PolarHBondContact O-N 3.22Å; Y311-H325 VanDerWaalsContact CE1-O 3.3Å; Y311-H325 WeakPolarHBondContact CE1-O 3.43Å; Y311-R328 HydrophobicContact CE1-CB 4.32Å; Y311-R328 WeakPolarHBondContact OH-CB 3.49Å; Y311-F329 HydrophobicContact CD1-CB 3.73Å; Y311-F329 HydrophobicContact CD1-CD2 4.32Å; Y311-F329 HydrophobicContact CD1-CG 4.48Å; Y311-F329 HydrophobicContact CD2-CB 4.38Å; Y311-F329 AromaticContact CD2-CD2 3.91Å; Y311-F329 HydrophobicContact CD2-CD2 3.91Å; Y311-F329 HydrophobicContact CE1-CB 3.96Å; Y311-F329 HydrophobicContact CG-CB 3.97Å; Y311-F329 AromaticContact CG-CD2 3.69Å; Y311-F329 HydrophobicContact CG-CD2 3.69Å; Y311-F329 HydrophobicContact CG-CG 4.29Å; Y311-H332 HydrophobicContact CE2-CB 4.04Å
312	D	96.3	Very high	96.4	Very high	57 Å²	57	39.9 Å²	39.9	31%	0.305	21%	0.212	S	C	.	.	H	α-helix	trans	-59.7	-25	179	-73.7	-20.7	0	0	0	112.8	T308 R404	T308-D312 PolarHBondContact O-N 3.48Å; D312-R404 WeakPolarHBondContact OD1-CG 3.41Å; D312-R404 IonicContact OD1-CZ 3.62Å; D312-R404 IonicContact OD1-NE 3.24Å; D312-R404 PolarHBondContact OD1-NE 3.39Å; D312-R404 IonicContact OD1-NH2 3.62Å; D312-R404 IonicContact OD2-CZ 2.75Å; D312-R404 IonicContact OD2-NE 2.76Å; D312-R404 IonicContact OD2-NH2 3.4Å; D312-R404 PolarHBondContact OD2-NH2 2.86Å
313	R	97.2	Very high	96.6	Very high	75 Å²	75	35.8 Å²	35.8	28%	0.283	20%	0.2	S	C	.	.	H	α-helix	trans	-79.3	-57.3	171.2	-68.6	161.1	71.8	-175	9.4	112.2	E275 W291 T309 I310 Y311 L315 G316 I317	E275-R313 IonicContact OE1-CZ 2.69Å; E275-R313 IonicContact OE1-NH1 2.82Å; E275-R313 PolarHBondContact OE1-NH1 3.3Å; E275-R313 IonicContact OE1-NH2 3.78Å; E275-R313 IonicContact OE2-CZ 3.79Å; E275-R313 VanDerWaalsContact OE2-CZ 3.24Å; E275-R313 IonicContact OE2-NH1 3.25Å; E275-R313 PolarHBondContact OE2-NH1 2.76Å; E275-R313 IonicContact OE2-NH2 2.67Å; E275-R313 PolarHBondContact OE2-NH2 3.46Å; W291-R313 HydrophobicContact CH2-CB 4.19Å; W291-R313 HydrophobicContact CZ3-CB 4.28Å; T309-R313 WeakPolarHBondContact O-CD 3.47Å; T309-R313 WeakPolarHBondContact O-CG 3.46Å; T309-R313 PolarHBondContact O-N 2.8Å; I310-R313 PolarHBondContact O-N 2.89Å; Y311-R313 PolarHBondContact O-N 3.43Å; Y311-R313 VanDerWaalsContact O-N 3.11Å; R313-L315 VanDerWaalsContact C-N 3.29Å; R313-L315 PolarHBondContact O-N 3.35Å; R313-G316 PolarHBondContact O-N 3.39Å; R313-G316 VanDerWaalsContact O-N 3.13Å; R313-I317 WeakPolarHBondContact O-CG1 3.44Å
314	V	97.7	Very high	96.8	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	20%	0.204	C	C	.	.	H	α-helix	trans	-67	-29.3	-173.6	72.8	0	0	0	0	112.8	W291 I310 Y311 G316 I317 T319 H325	W291-V314 HydrophobicContact CB-CG2 3.99Å; W291-V314 HydrophobicContact CD2-CB 3.84Å; W291-V314 HydrophobicContact CD2-CG2 3.74Å; W291-V314 HydrophobicContact CE3-CB 3.99Å; W291-V314 HydrophobicContact CE3-CG2 4.39Å; W291-V314 HydrophobicContact CG-CB 4.1Å; W291-V314 HydrophobicContact CG-CG2 3.53Å; W291-V314 HydrophobicContact CZ3-CB 4.47Å; I310-V314 PolarHBondContact O-N 3.46Å; Y311-V314 HydrophobicContact CD1-CG1 4.33Å; Y311-V314 PolarHBondContact O-N 2.84Å; V314-G316 PolarHBondContact O-N 3.05Å; V314-I317 PolarHBondContact O-N 3.37Å; V314-T319 HydrophobicContact CG2-CG2 4.48Å; V314-H325 HydrophobicContact CG1-CB 4.32Å
315	L	97.4	Very high	97	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.016	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-20.4	175.7	-68.9	176	0	0	0	113.4	Y311 R313 F326 F329 R404 N411	Y311-L315 VanDerWaalsContact O-CB 3.3Å; Y311-L315 WeakPolarHBondContact O-CB 3.39Å; Y311-L315 WeakPolarHBondContact O-CG 3.19Å; Y311-L315 PolarHBondContact O-N 3.22Å; R313-L315 VanDerWaalsContact C-N 3.29Å; R313-L315 PolarHBondContact O-N 3.35Å; L315-F326 HydrophobicContact CD1-CD2 4.09Å; L315-F326 HydrophobicContact CD2-CB 3.6Å; L315-F326 HydrophobicContact CD2-CD2 3.75Å; L315-F326 HydrophobicContact CD2-CG 4.08Å; L315-F329 HydrophobicContact CD1-CB 4.3Å; L315-F329 HydrophobicContact CD1-CD1 4.1Å; L315-F329 HydrophobicContact CD1-CD2 4.28Å; L315-F329 HydrophobicContact CD1-CG 3.96Å; L315-R404 HydrophobicContact CD1-CB 4.21Å; L315-R404 HydrophobicContact CD1-CG 4.27Å; L315-N411 VanDerWaalsContact O-CB 3.27Å; L315-N411 WeakPolarHBondContact O-CB 3.29Å; L315-N411 PolarHBondContact O-ND2 3.37Å
316	G	96.1	Very high	97.1	Very high	44 Å²	44	33.9 Å²	33.9	45%	0.454	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-0.5	171.8	0	0	0	0	0	115.1	R313 V314	R313-G316 PolarHBondContact O-N 3.39Å; R313-G316 VanDerWaalsContact O-N 3.13Å; V314-G316 PolarHBondContact O-N 3.05Å
317	I	95.6	Very high	97.3	Very high	31 Å²	31	35.9 Å²	35.9	16%	0.159	19%	0.192	C	C	.	.	S	Bend	trans	-110.3	125.6	-174.4	-62.2	171.3	0	0	0	110.8	W291 R313 V314 T319 N411	W291-I317 HydrophobicContact CH2-CD1 4.07Å; W291-I317 HydrophobicContact CZ2-CD1 3.51Å; R313-I317 WeakPolarHBondContact O-CG1 3.44Å; V314-I317 PolarHBondContact O-N 3.37Å; I317-T319 HydrophobicContact CG2-CG2 4.14Å; I317-T319 PolarHBondContact O-N 2.8Å; I317-T319 VanDerWaalsContact O-N 3.11Å; I317-T319 PolarHBondContact O-OG1 3.26Å; I317-N411 VanDerWaalsContact C-ND2 3.32Å; I317-N411 VanDerWaalsContact C-OD1 3.28Å; I317-N411 PolarHBondContact N-ND2 3.16Å; I317-N411 PolarHBondContact O-ND2 3.43Å; I317-N411 PolarHBondContact O-OD1 3.48Å
318	P	96.9	Very high	97.3	Very high	14 Å²	14	40 Å²	40	9%	0.091	21%	0.208	C	C	.	.			trans	-61.7	113	174.6	-26.9	35.9	0	0	0	112	F285 N411 E414 V415	F285-P318 HydrophobicContact CD2-CB 4.39Å; F285-P318 WeakPolarHBondContact CD2-O 3.42Å; P318-N411 WeakPolarHBondContact CA-OD1 3.49Å; P318-N411 WeakPolarHBondContact CD-OD1 3.39Å; P318-N411 WeakPolarHBondContact CG-OD1 3.49Å; P318-N411 VanDerWaalsContact N-OD1 3.1Å; P318-E414 HydrophobicContact CG-CB 3.97Å; P318-V415 HydrophobicContact CB-CG2 3.77Å
319	T	97.8	Very high	97.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.206	C	C	.	.			trans	-136.2	157.4	-175.6	45	0	0	0	0	110.7	F285 D288 V314 I317 L321 Y322	F285-T319 CarbonylContact O-C 3.5Å; F285-T319 WeakPolarHBondContact O-CA 3.5Å; D288-T319 WeakPolarHBondContact OD1-CB 3.31Å; V314-T319 HydrophobicContact CG2-CG2 4.48Å; I317-T319 HydrophobicContact CG2-CG2 4.14Å; I317-T319 PolarHBondContact O-N 2.8Å; I317-T319 VanDerWaalsContact O-N 3.11Å; I317-T319 PolarHBondContact O-OG1 3.26Å; T319-L321 VanDerWaalsContact C-N 3.3Å; T319-L321 PolarHBondContact O-N 3.47Å; T319-Y322 WeakPolarHBondContact O-CD1 3.23Å; T319-Y322 PolarHBondContact O-N 2.89Å
320	Q	97.4	Very high	97.4	Very high	81 Å²	81	38.2 Å²	38.2	38%	0.379	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-33.1	-175	-171.3	173.2	13.6	0	0	112.2	F285 W419	F285-Q320 HydrophobicContact CD1-CB 4.03Å; F285-Q320 HydrophobicContact CE1-CB 3.74Å; F285-Q320 HydrophobicContact CE1-CG 4.07Å; F285-Q320 HydrophobicContact CZ-CB 4.39Å; F285-Q320 PolarHBondContact O-N 3.3Å; Q320-W419 HydrophobicContact CG-CH2 4.37Å; Q320-W419 HydrophobicContact CG-CZ3 4.48Å
321	L	97.6	Very high	97.4	Very high	51 Å²	51	42.2 Å²	42.2	27%	0.267	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	27.2	-177.6	-47	-179.2	0	0	0	112.6	D288 T319 S323 Q324 H325	D288-L321 HydrophobicContact CB-CB 4.38Å; D288-L321 HydrophobicContact CB-CD1 4.1Å; D288-L321 HydrophobicContact CB-CG 4.23Å; D288-L321 WeakPolarHBondContact OD1-CA 3.26Å; D288-L321 VanDerWaalsContact OD1-CB 3.25Å; D288-L321 WeakPolarHBondContact OD1-CB 3.48Å; D288-L321 PolarHBondContact OD1-N 3.2Å; T319-L321 VanDerWaalsContact C-N 3.3Å; T319-L321 PolarHBondContact O-N 3.47Å; L321-S323 PolarHBondContact O-N 3.46Å; L321-Q324 HydrophobicContact CB-CB 4.18Å; L321-Q324 HydrophobicContact CB-CG 4.16Å; L321-Q324 WeakPolarHBondContact O-CA 3.26Å; L321-Q324 WeakPolarHBondContact O-CB 3.45Å; L321-Q324 PolarHBondContact O-N 3.23Å; L321-H325 PolarHBondContact O-CD2 3.06Å; L321-H325 PolarHBondContact O-N 2.82Å; L321-H325 VanDerWaalsContact O-N 3.11Å
322	Y	97.8	Very high	97.3	Very high	42 Å²	42	42.6 Å²	42.6	17%	0.165	22%	0.216	C	C	.	.	H	α-helix	trans	-42.2	-42.3	177.4	70.9	-73.9	0	0	0	114.2	T319 H325 F326 F408 E412 V415	T319-Y322 WeakPolarHBondContact O-CD1 3.23Å; T319-Y322 PolarHBondContact O-N 2.89Å; Y322-H325 PolarHBondContact O-N 2.69Å; Y322-F326 PolarHBondContact O-N 3.47Å; Y322-F326 VanDerWaalsContact O-N 3.08Å; Y322-F408 HydrophobicContact CD2-CD2 4.29Å; Y322-F408 AromaticContact CD2-CE2 3.43Å; Y322-F408 HydrophobicContact CD2-CE2 3.43Å; Y322-F408 VanDerWaalsContact CD2-CE2 3.43Å; Y322-F408 AromaticContact CD2-CZ 3.83Å; Y322-F408 HydrophobicContact CD2-CZ 3.83Å; Y322-F408 AromaticContact CE2-CE2 3.82Å; Y322-F408 HydrophobicContact CE2-CE2 3.82Å; Y322-F408 AromaticContact CE2-CZ 3.69Å; Y322-F408 HydrophobicContact CE2-CZ 3.69Å; Y322-F408 HydrophobicContact CG-CE2 4.47Å; Y322-E412 HydrophobicContact CD2-CB 4.37Å; Y322-E412 HydrophobicContact CE2-CB 3.74Å; Y322-E412 HydrophobicContact CE2-CG 3.74Å; Y322-V415 HydrophobicContact CD1-CB 4.46Å; Y322-V415 HydrophobicContact CD1-CG1 3.96Å; Y322-V415 HydrophobicContact CD1-CG2 4.1Å; Y322-V415 HydrophobicContact CE1-CB 4.4Å; Y322-V415 HydrophobicContact CE1-CG1 3.71Å; Y322-V415 HydrophobicContact CG-CG2 4.12Å
323	S	97.6	Very high	97.3	Very high	58 Å²	58	39.9 Å²	39.9	41%	0.406	20%	0.201	S	C	.	.	H	α-helix	trans	-68.9	-29.5	177.2	56.6	0	0	0	0	114.2	L321 Q327	L321-S323 PolarHBondContact O-N 3.46Å; S323-Q327 PolarHBondContact O-N 3.23Å
324	Q	97.9	Very high	97.2	Very high	90 Å²	90	39.8 Å²	39.8	42%	0.421	20%	0.204	S	C	.	.	H	α-helix	trans	-75.3	-40.8	173.5	-55.6	-170.4	18.2	0	0	111.2	L321 F326 Q327 R328	L321-Q324 HydrophobicContact CB-CB 4.18Å; L321-Q324 HydrophobicContact CB-CG 4.16Å; L321-Q324 WeakPolarHBondContact O-CA 3.26Å; L321-Q324 WeakPolarHBondContact O-CB 3.45Å; L321-Q324 PolarHBondContact O-N 3.23Å; Q324-F326 VanDerWaalsContact C-N 3.26Å; Q324-F326 PolarHBondContact O-N 3.25Å; Q324-Q327 PolarHBondContact O-N 2.89Å; Q324-R328 WeakPolarHBondContact O-CG 3.46Å; Q324-R328 PolarHBondContact O-N 2.86Å
325	H	97.7	Very high	97	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-58.7	-41.9	173.6	-57	-39.3	0	0	0	110.8	D288 E292 Y311 V314 L321 Y322 R328 F329	D288-H325 IonicContact OD1-CD2 2.74Å; D288-H325 IonicContact OD1-CE1 2.9Å; D288-H325 IonicContact OD1-NE2 2.72Å; D288-H325 PolarHBondContact OD1-NE2 2.67Å; E292-H325 IonicContact OE1-CE1 2.63Å; Y311-H325 VanDerWaalsContact CE1-O 3.3Å; Y311-H325 WeakPolarHBondContact CE1-O 3.43Å; V314-H325 HydrophobicContact CG1-CB 4.32Å; L321-H325 PolarHBondContact O-CD2 3.06Å; L321-H325 PolarHBondContact O-N 2.82Å; L321-H325 VanDerWaalsContact O-N 3.11Å; Y322-H325 PolarHBondContact O-N 2.69Å; H325-R328 PolarHBondContact O-N 3.04Å; H325-F329 WeakPolarHBondContact O-CB 3.43Å; H325-F329 PolarHBondContact O-N 3.48Å
326	F	98.1	Very high	96.8	Very high	7 Å²	7	44.6 Å²	44.6	3%	0.031	24%	0.244	C	C	.	.	H	α-helix	trans	-71	-33.4	177.3	-172.3	-130.8	0	0	0	114.6	L315 Y322 Q324 F329 K330 R404 Q405 F408	L315-F326 HydrophobicContact CD1-CD2 4.09Å; L315-F326 HydrophobicContact CD2-CB 3.6Å; L315-F326 HydrophobicContact CD2-CD2 3.75Å; L315-F326 HydrophobicContact CD2-CG 4.08Å; Y322-F326 PolarHBondContact O-N 3.47Å; Y322-F326 VanDerWaalsContact O-N 3.08Å; Q324-F326 VanDerWaalsContact C-N 3.26Å; Q324-F326 PolarHBondContact O-N 3.25Å; F326-F329 HydrophobicContact CD2-CD1 4.03Å; F326-F329 HydrophobicContact CE2-CD1 4.04Å; F326-F329 HydrophobicContact CE2-CE1 4.49Å; F326-F329 PolarHBondContact O-N 3.33Å; F326-K330 HydrophobicContact CE1-CD 4.49Å; F326-K330 HydrophobicContact CZ-CD 4.5Å; F326-K330 WeakPolarHBondContact O-CG 3.18Å; F326-K330 PolarHBondContact O-N 3.13Å; F326-K330 VanDerWaalsContact O-N 3.12Å; F326-R404 HydrophobicContact CE2-CB 4.49Å; F326-Q405 VanDerWaalsContact CE1-CD 3.48Å; F326-Q405 HydrophobicContact CZ-CB 3.88Å; F326-Q405 HydrophobicContact CZ-CG 4.29Å; F326-Q405 VanDerWaalsContact CZ-OE1 3.25Å; F326-F408 HydrophobicContact CB-CD2 3.42Å; F326-F408 VanDerWaalsContact CB-CD2 3.42Å; F326-F408 HydrophobicContact CB-CE2 3.67Å; F326-F408 HydrophobicContact CB-CG 4.21Å; F326-F408 HydrophobicContact CD1-CB 3.98Å; F326-F408 AromaticContact CD1-CD1 3.64Å; F326-F408 HydrophobicContact CD1-CD1 3.64Å; F326-F408 AromaticContact CD1-CD2 3.37Å; F326-F408 HydrophobicContact CD1-CD2 3.37Å; F326-F408 AromaticContact CD1-CE1 3.96Å; F326-F408 HydrophobicContact CD1-CE1 3.96Å; F326-F408 AromaticContact CD1-CE2 3.7Å; F326-F408 HydrophobicContact CD1-CE2 3.7Å; F326-F408 AromaticContact CD1-CG 3.33Å; F326-F408 HydrophobicContact CD1-CG 3.33Å; F326-F408 AromaticContact CD1-CZ 3.99Å; F326-F408 HydrophobicContact CD1-CZ 3.99Å; F326-F408 HydrophobicContact CD2-CB 4.06Å; F326-F408 HydrophobicContact CD2-CD2 4.2Å; F326-F408 HydrophobicContact CD2-CG 4.22Å; F326-F408 HydrophobicContact CE1-CB 3.91Å; F326-F408 AromaticContact CE1-CD1 3.63Å; F326-F408 HydrophobicContact CE1-CD1 3.63Å; F326-F408 HydrophobicContact CE1-CD2 4.12Å; F326-F408 HydrophobicContact CE1-CE1 4.21Å; F326-F408 AromaticContact CE1-CG 3.57Å; F326-F408 HydrophobicContact CE1-CG 3.57Å; F326-F408 HydrophobicContact CE2-CB 4.03Å; F326-F408 HydrophobicContact CE2-CG 4.44Å; F326-F408 HydrophobicContact CG-CB 4.05Å; F326-F408 HydrophobicContact CG-CD1 4.43Å; F326-F408 AromaticContact CG-CD2 3.42Å; F326-F408 HydrophobicContact CG-CD2 3.42Å; F326-F408 VanDerWaalsContact CG-CD2 3.42Å; F326-F408 AromaticContact CG-CE2 3.97Å; F326-F408 HydrophobicContact CG-CE2 3.97Å; F326-F408 AromaticContact CG-CG 3.68Å; F326-F408 HydrophobicContact CG-CG 3.68Å; F326-F408 HydrophobicContact CZ-CB 3.95Å; F326-F408 HydrophobicContact CZ-CD1 4.44Å; F326-F408 HydrophobicContact CZ-CG 4.14Å
327	Q	98	Very high	96.5	Very high	98 Å²	98	45.5 Å²	45.5	46%	0.458	24%	0.237	S	C	.	.	H	α-helix	trans	-64.9	-47	169.9	-176.8	56	50.6	0	0	111	S323 Q324 F329 K330 D331	S323-Q327 PolarHBondContact O-N 3.23Å; Q324-Q327 PolarHBondContact O-N 2.89Å; Q327-F329 VanDerWaalsContact C-N 3.26Å; Q327-F329 PolarHBondContact O-N 3.49Å; Q327-K330 WeakPolarHBondContact O-CA 3.45Å; Q327-K330 WeakPolarHBondContact O-CB 3.32Å; Q327-K330 PolarHBondContact O-N 2.86Å; Q327-D331 PolarHBondContact NE2-OD1 2.84Å; Q327-D331 PolarHBondContact O-N 3.23Å
328	R	97.6	Very high	96.3	Very high	87 Å²	87	44 Å²	44	33%	0.328	23%	0.229	S	C	.	.	H	α-helix	trans	-63.8	-30.6	177.5	-64.3	-175.8	-168.6	118.6	-13.2	112.9	E292 Y311 Q324 H325 D331 H332	E292-R328 IonicContact OE1-CZ 3.83Å; E292-R328 IonicContact OE1-NH1 3.77Å; E292-R328 PolarHBondContact OE1-NH1 2.92Å; E292-R328 IonicContact OE1-NH2 2.71Å; E292-R328 PolarHBondContact OE1-NH2 3.39Å; Y311-R328 HydrophobicContact CE1-CB 4.32Å; Y311-R328 WeakPolarHBondContact OH-CB 3.49Å; Q324-R328 WeakPolarHBondContact O-CG 3.46Å; Q324-R328 PolarHBondContact O-N 2.86Å; H325-R328 PolarHBondContact O-N 3.04Å; R328-D331 PolarHBondContact O-N 3.21Å; R328-H332 WeakPolarHBondContact O-CB 3.43Å; R328-H332 PolarHBondContact O-N 3.15Å
329	F	97.9	Very high	95.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.5	-45.7	169.6	171.3	-103.4	0	0	0	112	T308 Y311 L315 H325 F326 Q327 D331 H332 V333 V400 I401 R404	T308-F329 HydrophobicContact CG2-CE2 4.5Å; Y311-F329 HydrophobicContact CD1-CB 3.73Å; Y311-F329 HydrophobicContact CD1-CD2 4.32Å; Y311-F329 HydrophobicContact CD1-CG 4.48Å; Y311-F329 HydrophobicContact CD2-CB 4.38Å; Y311-F329 AromaticContact CD2-CD2 3.91Å; Y311-F329 HydrophobicContact CD2-CD2 3.91Å; Y311-F329 HydrophobicContact CE1-CB 3.96Å; Y311-F329 HydrophobicContact CG-CB 3.97Å; Y311-F329 AromaticContact CG-CD2 3.69Å; Y311-F329 HydrophobicContact CG-CD2 3.69Å; Y311-F329 HydrophobicContact CG-CG 4.29Å; L315-F329 HydrophobicContact CD1-CB 4.3Å; L315-F329 HydrophobicContact CD1-CD1 4.1Å; L315-F329 HydrophobicContact CD1-CD2 4.28Å; L315-F329 HydrophobicContact CD1-CG 3.96Å; H325-F329 WeakPolarHBondContact O-CB 3.43Å; H325-F329 PolarHBondContact O-N 3.48Å; F326-F329 HydrophobicContact CD2-CD1 4.03Å; F326-F329 HydrophobicContact CE2-CD1 4.04Å; F326-F329 HydrophobicContact CE2-CE1 4.49Å; F326-F329 PolarHBondContact O-N 3.33Å; Q327-F329 VanDerWaalsContact C-N 3.26Å; Q327-F329 PolarHBondContact O-N 3.49Å; F329-D331 VanDerWaalsContact C-N 3.3Å; F329-D331 PolarHBondContact O-N 3.1Å; F329-H332 WeakPolarHBondContact O-CB 3.29Å; F329-H332 PolarHBondContact O-N 3.32Å; F329-V333 HydrophobicContact CD2-CG2 4.3Å; F329-V333 HydrophobicContact CE1-CG2 4.14Å; F329-V333 HydrophobicContact CE2-CG2 3.85Å; F329-V333 HydrophobicContact CZ-CG2 3.76Å; F329-V333 WeakPolarHBondContact O-CG2 3.21Å; F329-V333 PolarHBondContact O-N 3.49Å; F329-V400 HydrophobicContact CZ-CG1 3.82Å; F329-I401 HydrophobicContact CE1-CG1 4.46Å; F329-R404 HydrophobicContact CD1-CB 4.37Å; F329-R404 HydrophobicContact CE1-CB 3.55Å; F329-R404 HydrophobicContact CE1-CG 3.92Å; F329-R404 HydrophobicContact CE2-CG 4.36Å; F329-R404 HydrophobicContact CZ-CB 3.81Å; F329-R404 HydrophobicContact CZ-CG 3.61Å
330	K	97.6	Very high	95.5	Very high	49 Å²	49	56.4 Å²	56.4	21%	0.213	28%	0.278	C	S	.	.	H	α-helix	trans	-60.5	-41.8	174.2	-70.3	175.5	179.4	178.3	0	111.1	F326 Q327 V333 Q334 I401	F326-K330 HydrophobicContact CE1-CD 4.49Å; F326-K330 HydrophobicContact CZ-CD 4.5Å; F326-K330 WeakPolarHBondContact O-CG 3.18Å; F326-K330 PolarHBondContact O-N 3.13Å; F326-K330 VanDerWaalsContact O-N 3.12Å; Q327-K330 WeakPolarHBondContact O-CA 3.45Å; Q327-K330 WeakPolarHBondContact O-CB 3.32Å; Q327-K330 PolarHBondContact O-N 2.86Å; K330-V333 PolarHBondContact O-N 2.91Å; K330-Q334 VanDerWaalsContact O-CB 3.32Å; K330-Q334 WeakPolarHBondContact O-CB 3.24Å; K330-Q334 WeakPolarHBondContact O-CG 3.16Å; K330-Q334 PolarHBondContact O-N 3.41Å; K330-I401 HydrophobicContact CB-CD1 4.47Å; K330-I401 HydrophobicContact CD-CG2 4.29Å; K330-I401 HydrophobicContact CG-CD1 4.27Å; K330-I401 HydrophobicContact CG-CG1 4.29Å; K330-I401 HydrophobicContact CG-CG2 4.06Å
331	D	97.1	Very high	95.2	Very high	88 Å²	88	52.6 Å²	52.6	47%	0.471	26%	0.26	S	S	.	.	H	α-helix	trans	-64.8	-39.1	176.9	-56.6	-26.4	0	0	0	111.9	Q327 R328 F329 G335	Q327-D331 PolarHBondContact NE2-OD1 2.84Å; Q327-D331 PolarHBondContact O-N 3.23Å; R328-D331 PolarHBondContact O-N 3.21Å; F329-D331 VanDerWaalsContact C-N 3.3Å; F329-D331 PolarHBondContact O-N 3.1Å; D331-G335 PolarHBondContact O-N 3.16Å
332	H	96.8	Very high	94.9	Very high	17 Å²	17	50.6 Å²	50.6	8%	0.079	25%	0.25	C	C	.	.	H	α-helix	trans	-62.8	-47.9	173.5	167.2	68	0	0	0	112.3	T308 Y311 R328 F329 Q334 G335 N336	T308-H332 PolarHBondContact OG1-NE2 3.45Å; T308-H332 VanDerWaalsContact OG1-NE2 3.08Å; Y311-H332 HydrophobicContact CE2-CB 4.04Å; R328-H332 WeakPolarHBondContact O-CB 3.43Å; R328-H332 PolarHBondContact O-N 3.15Å; F329-H332 WeakPolarHBondContact O-CB 3.29Å; F329-H332 PolarHBondContact O-N 3.32Å; H332-Q334 VanDerWaalsContact C-N 3.35Å; H332-Q334 PolarHBondContact O-N 3.36Å; H332-G335 PolarHBondContact O-N 2.88Å; H332-N336 PolarHBondContact ND1-ND2 3.2Å; H332-N336 VanDerWaalsContact ND1-ND2 3.16Å; H332-N336 WeakPolarHBondContact O-CB 3.43Å; H332-N336 PolarHBondContact O-N 3.45Å; H332-N336 VanDerWaalsContact O-N 3.09Å; H332-N336 PolarHBondContact O-ND2 3.43Å
333	V	96.1	Very high	94.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.3	-38.8	178.2	169.2	0	0	0	0	111.7	F329 K330 F341 R397 V400 I401	F329-V333 HydrophobicContact CD2-CG2 4.3Å; F329-V333 HydrophobicContact CE1-CG2 4.14Å; F329-V333 HydrophobicContact CE2-CG2 3.85Å; F329-V333 HydrophobicContact CZ-CG2 3.76Å; F329-V333 WeakPolarHBondContact O-CG2 3.21Å; F329-V333 PolarHBondContact O-N 3.49Å; K330-V333 PolarHBondContact O-N 2.91Å; V333-F341 HydrophobicContact CB-CZ 4.2Å; V333-F341 HydrophobicContact CG1-CE2 4.49Å; V333-F341 HydrophobicContact CG1-CZ 3.87Å; V333-F341 HydrophobicContact CG2-CE2 4.02Å; V333-F341 HydrophobicContact CG2-CZ 4.09Å; V333-R397 HydrophobicContact CG1-CB 3.83Å; V333-R397 HydrophobicContact CG1-CG 3.86Å; V333-R397 PolarHBondContact O-NE 3.33Å; V333-V400 HydrophobicContact CG1-CG1 4.45Å; V333-V400 HydrophobicContact CG2-CG1 3.96Å; V333-I401 HydrophobicContact CB-CD1 4.27Å; V333-I401 HydrophobicContact CB-CG1 4.24Å; V333-I401 HydrophobicContact CG1-CD1 3.84Å; V333-I401 HydrophobicContact CG1-CG1 3.87Å
334	Q	94.8	Very high	93.9	Very high	73 Å²	73	57 Å²	57	34%	0.341	28%	0.282	S	S	.	.	H	α-helix	trans	-80.1	-26.4	178.8	-74.6	-65.9	-13	0	0	114	K330 H332 E394 R397 I401	K330-Q334 VanDerWaalsContact O-CB 3.32Å; K330-Q334 WeakPolarHBondContact O-CB 3.24Å; K330-Q334 WeakPolarHBondContact O-CG 3.16Å; K330-Q334 PolarHBondContact O-N 3.41Å; H332-Q334 VanDerWaalsContact C-N 3.35Å; H332-Q334 PolarHBondContact O-N 3.36Å; Q334-E394 PolarHBondContact NE2-OE1 3.19Å; Q334-E394 PolarHBondContact OE1-OE1 3.29Å; Q334-R397 VanDerWaalsContact O-CZ 3.25Å; Q334-R397 PolarHBondContact O-NH1 3.16Å; Q334-R397 PolarHBondContact O-NH2 3.21Å; Q334-I401 HydrophobicContact CG-CD1 4.37Å
335	G	92.8	Very high	93.3	Very high	60 Å²	60	60.7 Å²	60.7	62%	0.619	30%	0.299	S	S	*	.	H	α-helix	trans	-75.1	-33.5	173.6	0	0	0	0	0	113.4	D331 H332	D331-G335 PolarHBondContact O-N 3.16Å; H332-G335 PolarHBondContact O-N 2.88Å
336	N	93.1	Very high	92.9	Very high	46 Å²	46	63 Å²	63	25%	0.246	31%	0.309	C	S	.	.	S	Bend	trans	-108.2	166.8	-169.7	-65.8	-67.6	0	0	0	113.8	L304 H332 F341 R397	L304-N336 HydrophobicContact CD1-CB 4.3Å; L304-N336 WeakPolarHBondContact CD1-OD1 3.4Å; H332-N336 PolarHBondContact ND1-ND2 3.2Å; H332-N336 VanDerWaalsContact ND1-ND2 3.16Å; H332-N336 WeakPolarHBondContact O-CB 3.43Å; H332-N336 PolarHBondContact O-N 3.45Å; H332-N336 VanDerWaalsContact O-N 3.09Å; H332-N336 PolarHBondContact O-ND2 3.43Å; N336-F341 HydrophobicContact CB-CD1 3.66Å; N336-F341 HydrophobicContact CB-CE1 4.12Å; N336-R397 PolarHBondContact O-NE 3.08Å; N336-R397 PolarHBondContact O-NH2 3.05Å
337	H	90.8	Very high	92.4	Very high	63 Å²	63	63.5 Å²	63.5	29%	0.292	31%	0.312	S	S	.	.			trans	-93.7	130	175.4	-179.6	-84.9	0	0	0	110.5	K339 Y340 F341 I393	H337-K339 VanDerWaalsContact C-N 3.28Å; H337-K339 WeakPolarHBondContact ND1-CB 3.23Å; H337-K339 PolarHBondContact ND1-N 3.39Å; H337-K339 PolarHBondContact O-N 2.91Å; H337-Y340 HydrophobicContact CB-CD2 3.88Å; H337-Y340 HydrophobicContact CB-CE2 4.09Å; H337-Y340 PolarHBondContact O-N 3.49Å; H337-F341 WeakPolarHBondContact O-CD1 3.5Å; H337-I393 WeakPolarHBondContact NE2-CD1 3.21Å
338	P	90.3	Very high	91.8	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-49.8	-39.2	-171.4	-31.1	35.9	0	0	0	115.9	Y340 F341 L342 F347 I393 M396 R397	P338-Y340 PolarHBondContact O-N 2.83Å; P338-F341 VanDerWaalsContact CA-CE1 3.41Å; P338-F341 HydrophobicContact CB-CE1 4.27Å; P338-F341 HydrophobicContact CB-CZ 4.08Å; P338-F341 HydrophobicContact CG-CE1 4.17Å; P338-F341 HydrophobicContact CG-CZ 4.04Å; P338-F341 PolarHBondContact O-N 2.98Å; P338-F341 VanDerWaalsContact O-N 3.11Å; P338-L342 HydrophobicContact CB-CD1 3.89Å; P338-L342 HydrophobicContact CB-CG 4.42Å; P338-L342 WeakPolarHBondContact O-CB 3.27Å; P338-L342 WeakPolarHBondContact O-CG 3.42Å; P338-L342 PolarHBondContact O-N 2.93Å; P338-F347 HydrophobicContact CB-CD2 4.13Å; P338-F347 HydrophobicContact CB-CE2 4.11Å; P338-I393 HydrophobicContact CG-CG2 4.4Å; P338-M396 HydrophobicContact CB-CB 4.42Å; P338-M396 HydrophobicContact CB-SD 4.49Å; P338-M396 HydrophobicContact CG-CB 4.07Å; P338-R397 HydrophobicContact CG-CG 4.15Å
339	K	88.1	Confident	91.4	Very high	116 Å²	116	62.5 Å²	62.5	50%	0.504	31%	0.314	S	S	.	.	H	α-helix	trans	-56.6	-20.3	177.9	-171.9	173.2	177.6	174.6	0	115.1	H337 F347	H337-K339 VanDerWaalsContact C-N 3.28Å; H337-K339 WeakPolarHBondContact ND1-CB 3.23Å; H337-K339 PolarHBondContact ND1-N 3.39Å; H337-K339 PolarHBondContact O-N 2.91Å; K339-F347 HydrophobicContact CB-CD2 4.12Å; K339-F347 HydrophobicContact CB-CE2 3.76Å; K339-F347 HydrophobicContact CB-CZ 4.13Å
340	Y	89.7	Confident	90.8	Very high	157 Å²	157	63.1 Å²	63.1	62%	0.616	32%	0.317	S	S	*	.	H	α-helix	trans	-99.2	-14.8	-179.8	-57	-51.4	0	0	0	114	L304 A305 H337 P338	L304-Y340 WeakPolarHBondContact CB-O 3.25Å; A305-Y340 PolarHBondContact N-O 3.22Å; H337-Y340 HydrophobicContact CB-CD2 3.88Å; H337-Y340 HydrophobicContact CB-CE2 4.09Å; H337-Y340 PolarHBondContact O-N 3.49Å; P338-Y340 PolarHBondContact O-N 2.83Å
341	F	91.9	Very high	90.2	Very high	1 Å²	1	62 Å²	62	0%	0.004	31%	0.312	C	S	.	.	H	α-helix	trans	-121	-11.1	-174.3	74.9	-114	0	0	0	114.3	L304 T308 V333 N336 H337 P338 V400	L304-F341 HydrophobicContact CB-CB 4.07Å; T308-F341 WeakPolarHBondContact CB-O 3.43Å; T308-F341 HydrophobicContact CG2-CD2 4.49Å; T308-F341 WeakPolarHBondContact OG1-CB 3.36Å; T308-F341 PolarHBondContact OG1-O 3.11Å; V333-F341 HydrophobicContact CB-CZ 4.2Å; V333-F341 HydrophobicContact CG1-CE2 4.49Å; V333-F341 HydrophobicContact CG1-CZ 3.87Å; V333-F341 HydrophobicContact CG2-CE2 4.02Å; V333-F341 HydrophobicContact CG2-CZ 4.09Å; N336-F341 HydrophobicContact CB-CD1 3.66Å; N336-F341 HydrophobicContact CB-CE1 4.12Å; H337-F341 WeakPolarHBondContact O-CD1 3.5Å; P338-F341 VanDerWaalsContact CA-CE1 3.41Å; P338-F341 HydrophobicContact CB-CE1 4.27Å; P338-F341 HydrophobicContact CB-CZ 4.08Å; P338-F341 HydrophobicContact CG-CE1 4.17Å; P338-F341 HydrophobicContact CG-CZ 4.04Å; P338-F341 PolarHBondContact O-N 2.98Å; P338-F341 VanDerWaalsContact O-N 3.11Å; F341-V400 HydrophobicContact CE2-CG1 4.3Å
342	L	91	Very high	89.6	Confident	10 Å²	10	60.7 Å²	60.7	5%	0.052	31%	0.305	C	S	.	.	S	Bend	trans	-97.9	161.3	169.4	-58.8	179	0	0	0	110.6	P338 E346 F347 L350 M396 V400	P338-L342 HydrophobicContact CB-CD1 3.89Å; P338-L342 HydrophobicContact CB-CG 4.42Å; P338-L342 WeakPolarHBondContact O-CB 3.27Å; P338-L342 WeakPolarHBondContact O-CG 3.42Å; P338-L342 PolarHBondContact O-N 2.93Å; L342-E346 HydrophobicContact CD2-CG 4.37Å; L342-F347 HydrophobicContact CB-CB 4.25Å; L342-F347 HydrophobicContact CD1-CB 4.43Å; L342-F347 HydrophobicContact CD1-CD2 4.35Å; L342-L350 HydrophobicContact CD1-CD1 3.83Å; L342-M396 HydrophobicContact CD1-CE 4.48Å; L342-V400 HydrophobicContact CD1-CG2 4.1Å; L342-V400 HydrophobicContact CD2-CG2 3.87Å
343	S	89.3	Confident	89	Confident	61 Å²	61	63.2 Å²	63.2	43%	0.427	32%	0.317	S	S	.	.			trans	-70	159.2	165.1	72.3	0	0	0	0	110.8	E345 E346 F347	S343-E345 PolarHBondContact O-N 2.95Å; S343-E346 PolarHBondContact O-N 3.14Å; S343-E346 WeakPolarHBondContact OG-CB 3.43Å; S343-E346 PolarHBondContact OG-N 2.75Å; S343-F347 VanDerWaalsContact O-CB 3.22Å; S343-F347 WeakPolarHBondContact O-CB 3.18Å; S343-F347 PolarHBondContact O-N 2.95Å
344	E	84.5	Confident	88.4	Confident	174 Å²	174	65 Å²	65	81%	0.813	33%	0.325	S	S	*	.	H	α-helix	trans	-60.9	-36.6	175.6	-61.9	-165.7	149.1	0	0	111.6	V348	E344-V348 WeakPolarHBondContact O-CB 3.33Å; E344-V348 VanDerWaalsContact O-CG2 3.26Å; E344-V348 WeakPolarHBondContact O-CG2 3.46Å; E344-V348 PolarHBondContact O-N 3.35Å
345	E	87.1	Confident	87.7	Confident	167 Å²	167	63.9 Å²	63.9	78%	0.78	33%	0.326	S	S	*	.	H	α-helix	trans	-64.4	-50.1	176.9	-60	-177.4	164.1	0	0	111.9	S343 V348 Q349	S343-E345 PolarHBondContact O-N 2.95Å; E345-V348 PolarHBondContact O-N 3.01Å; E345-Q349 WeakPolarHBondContact O-CB 3.44Å; E345-Q349 PolarHBondContact O-N 3.23Å
346	E	88.2	Confident	87	Confident	48 Å²	48	67.4 Å²	67.4	22%	0.224	32%	0.324	C	S	.	.	H	α-helix	trans	-66.4	-40.8	178.9	-175.8	176.7	-166.8	0	0	111.4	L342 S343 Q349 L350 R404	L342-E346 HydrophobicContact CD2-CG 4.37Å; S343-E346 PolarHBondContact O-N 3.14Å; S343-E346 WeakPolarHBondContact OG-CB 3.43Å; S343-E346 PolarHBondContact OG-N 2.75Å; E346-Q349 PolarHBondContact O-N 3.12Å; E346-L350 HydrophobicContact CG-CD1 3.97Å; E346-L350 HydrophobicContact CG-CG 4.42Å; E346-L350 WeakPolarHBondContact O-CB 3.34Å; E346-L350 WeakPolarHBondContact O-CG 3.4Å; E346-L350 PolarHBondContact O-N 3.35Å; E346-R404 IonicContact OE1-CZ 3.18Å; E346-R404 VanDerWaalsContact OE1-CZ 3.32Å; E346-R404 IonicContact OE1-NH1 2.69Å; E346-R404 PolarHBondContact OE1-NH1 2.89Å; E346-R404 IonicContact OE1-NH2 3.36Å; E346-R404 PolarHBondContact OE1-NH2 3.43Å; E346-R404 IonicContact OE2-NH2 3.49Å; E346-R404 PolarHBondContact OE2-NH2 3.38Å
347	F	87.5	Confident	86.1	Confident	18 Å²	18	69.1 Å²	69.1	8%	0.079	34%	0.34	C	S	.	.	H	α-helix	trans	-61.1	-46.4	176.3	-179.1	-89.5	0	0	0	111.8	P338 K339 L342 S343 R351 M396	P338-F347 HydrophobicContact CB-CD2 4.13Å; P338-F347 HydrophobicContact CB-CE2 4.11Å; K339-F347 HydrophobicContact CB-CD2 4.12Å; K339-F347 HydrophobicContact CB-CE2 3.76Å; K339-F347 HydrophobicContact CB-CZ 4.13Å; L342-F347 HydrophobicContact CB-CB 4.25Å; L342-F347 HydrophobicContact CD1-CB 4.43Å; L342-F347 HydrophobicContact CD1-CD2 4.35Å; S343-F347 VanDerWaalsContact O-CB 3.22Å; S343-F347 WeakPolarHBondContact O-CB 3.18Å; S343-F347 PolarHBondContact O-N 2.95Å; F347-R351 WeakPolarHBondContact O-CB 3.17Å; F347-R351 PolarHBondContact O-N 3.46Å; F347-R351 VanDerWaalsContact O-N 3.08Å; F347-M396 HydrophobicContact CD2-CE 3.5Å; F347-M396 VanDerWaalsContact CD2-CE 3.5Å; F347-M396 HydrophobicContact CD2-SD 4.35Å; F347-M396 HydrophobicContact CE2-CE 3.63Å; F347-M396 HydrophobicContact CE2-SD 3.88Å; F347-M396 HydrophobicContact CG-CE 4.01Å; F347-M396 HydrophobicContact CZ-CE 4.26Å; F347-M396 HydrophobicContact CZ-SD 4.36Å; F347-M396 VanDerWaalsContact O-CE 3.32Å; F347-M396 WeakPolarHBondContact O-CE 3.43Å
348	V	86.6	Confident	85	Confident	52 Å²	52	69.5 Å²	69.5	32%	0.315	35%	0.35	S	S	.	.	H	α-helix	trans	-68.5	-40.6	177.4	170.2	0	0	0	0	111.3	E344 E345 R351 L352	E344-V348 WeakPolarHBondContact O-CB 3.33Å; E344-V348 VanDerWaalsContact O-CG2 3.26Å; E344-V348 WeakPolarHBondContact O-CG2 3.46Å; E344-V348 PolarHBondContact O-N 3.35Å; E345-V348 PolarHBondContact O-N 3.01Å; V348-R351 PolarHBondContact O-N 3.34Å; V348-L352 HydrophobicContact CG1-CD1 3.9Å; V348-L352 HydrophobicContact CG1-CG 4.4Å; V348-L352 WeakPolarHBondContact O-CB 3.49Å; V348-L352 VanDerWaalsContact O-CG 3.31Å; V348-L352 WeakPolarHBondContact O-CG 3.18Å; V348-L352 PolarHBondContact O-N 2.83Å
349	Q	87.4	Confident	83.5	Confident	113 Å²	113	75 Å²	75	53%	0.528	38%	0.379	S	S	.	.	H	α-helix	trans	-60.5	-50.1	176.3	179.2	173.5	-19.2	0	0	111.5	E345 E346 R351 L352 E353	E345-Q349 WeakPolarHBondContact O-CB 3.44Å; E345-Q349 PolarHBondContact O-N 3.23Å; E346-Q349 PolarHBondContact O-N 3.12Å; Q349-R351 VanDerWaalsContact C-N 3.34Å; Q349-R351 PolarHBondContact O-N 3Å; Q349-L352 WeakPolarHBondContact O-CB 3.4Å; Q349-L352 PolarHBondContact O-N 2.84Å; Q349-L352 VanDerWaalsContact O-N 3.13Å; Q349-E353 HydrophobicContact CG-CG 4.43Å; Q349-E353 WeakPolarHBondContact CG-OE1 3.05Å; Q349-E353 PolarHBondContact NE2-OE1 2.92Å; Q349-E353 WeakPolarHBondContact O-CG 3.48Å; Q349-E353 PolarHBondContact O-N 3.16Å
350	L	86.4	Confident	82.1	Confident	12 Å²	12	73.9 Å²	73.9	6%	0.063	39%	0.386	C	S	.	.	H	α-helix	trans	-61.8	-40.2	178.6	-72.9	172	0	0	0	112.1	L342 E346 L352 E353 L354 M396 K399 V400	L342-L350 HydrophobicContact CD1-CD1 3.83Å; E346-L350 HydrophobicContact CG-CD1 3.97Å; E346-L350 HydrophobicContact CG-CG 4.42Å; E346-L350 WeakPolarHBondContact O-CB 3.34Å; E346-L350 WeakPolarHBondContact O-CG 3.4Å; E346-L350 PolarHBondContact O-N 3.35Å; L350-L352 PolarHBondContact O-N 3.35Å; L350-E353 PolarHBondContact O-N 3.37Å; L350-L354 WeakPolarHBondContact O-CB 3.4Å; L350-L354 VanDerWaalsContact O-CG 3.29Å; L350-L354 WeakPolarHBondContact O-CG 3.49Å; L350-L354 PolarHBondContact O-N 3.44Å; L350-M396 HydrophobicContact CB-CE 3.85Å; L350-K399 HydrophobicContact CD2-CB 4.39Å; L350-K399 HydrophobicContact CD2-CG 3.66Å; L350-V400 HydrophobicContact CD1-CG2 3.78Å
351	R	84.6	Confident	80.2	Confident	27 Å²	27	69.9 Å²	69.9	10%	0.102	39%	0.392	C	S	.	.	H	α-helix	trans	-61.3	-42	173.4	175.4	170.7	-94.3	177.2	-3.1	111.6	F347 V348 Q349 S355 G379 D382 E392 M396	F347-R351 WeakPolarHBondContact O-CB 3.17Å; F347-R351 PolarHBondContact O-N 3.46Å; F347-R351 VanDerWaalsContact O-N 3.08Å; V348-R351 PolarHBondContact O-N 3.34Å; Q349-R351 VanDerWaalsContact C-N 3.34Å; Q349-R351 PolarHBondContact O-N 3Å; R351-S355 WeakPolarHBondContact O-CB 3.15Å; R351-S355 PolarHBondContact O-N 2.79Å; R351-S355 PolarHBondContact O-OG 3.33Å; R351-G379 PolarHBondContact NH1-O 3.43Å; R351-D382 IonicContact NH1-OD1 3.68Å; R351-D382 IonicContact NH2-OD1 3.91Å; R351-E392 IonicContact CZ-OE1 2.88Å; R351-E392 IonicContact CZ-OE2 3.99Å; R351-E392 IonicContact NE-OE1 2.84Å; R351-E392 PolarHBondContact NE-OE1 3.46Å; R351-E392 IonicContact NE-OE2 3.18Å; R351-E392 IonicContact NH2-OE1 3.55Å; R351-E392 PolarHBondContact NH2-OE1 2.98Å; R351-E392 IonicContact NH2-OE2 2.76Å; R351-E392 PolarHBondContact NH2-OE2 3.36Å; R351-M396 HydrophobicContact CB-CE 4.46Å
352	L	84.2	Confident	78.2	Confident	60 Å²	60	77.2 Å²	77.2	31%	0.314	43%	0.428	S	S	.	.	H	α-helix	trans	-67.3	-41.2	175.6	-72.7	170	0	0	0	112.5	V348 Q349 L350 S355 K356 P378	V348-L352 HydrophobicContact CG1-CD1 3.9Å; V348-L352 HydrophobicContact CG1-CG 4.4Å; V348-L352 WeakPolarHBondContact O-CB 3.49Å; V348-L352 VanDerWaalsContact O-CG 3.31Å; V348-L352 WeakPolarHBondContact O-CG 3.18Å; V348-L352 PolarHBondContact O-N 2.83Å; Q349-L352 WeakPolarHBondContact O-CB 3.4Å; Q349-L352 PolarHBondContact O-N 2.84Å; Q349-L352 VanDerWaalsContact O-N 3.13Å; L350-L352 PolarHBondContact O-N 3.35Å; L352-S355 PolarHBondContact O-OG 3.28Å; L352-K356 WeakPolarHBondContact O-CB 3.41Å; L352-K356 WeakPolarHBondContact O-CD 3.2Å; L352-K356 VanDerWaalsContact O-CG 3.24Å; L352-K356 WeakPolarHBondContact O-CG 3.32Å; L352-K356 PolarHBondContact O-N 3.21Å; L352-P378 HydrophobicContact CD2-CB 4.4Å
353	E	85.1	Confident	76	Confident	70 Å²	70	83.1 Å²	83.1	33%	0.327	46%	0.464	S	S	.	.	H	α-helix	trans	-65.5	-46.5	176.9	-74.3	177.7	-164	0	0	112.2	Q349 L350 S355 K356 S357	Q349-E353 HydrophobicContact CG-CG 4.43Å; Q349-E353 WeakPolarHBondContact CG-OE1 3.05Å; Q349-E353 PolarHBondContact NE2-OE1 2.92Å; Q349-E353 WeakPolarHBondContact O-CG 3.48Å; Q349-E353 PolarHBondContact O-N 3.16Å; L350-E353 PolarHBondContact O-N 3.37Å; E353-S355 VanDerWaalsContact C-N 3.35Å; E353-S355 PolarHBondContact O-N 2.91Å; E353-K356 PolarHBondContact O-N 3.33Å; E353-S357 WeakPolarHBondContact O-CB 3.15Å; E353-S357 PolarHBondContact O-N 2.96Å; E353-S357 PolarHBondContact O-OG 3.26Å
354	L	84.1	Confident	74	Confident	36 Å²	36	83.1 Å²	83.1	19%	0.188	47%	0.474	C	S	.	.	H	α-helix	trans	-63.1	-38.6	176.5	-70.3	172.4	0	0	0	112.2	L350 S358 N395 M396	L350-L354 WeakPolarHBondContact O-CB 3.4Å; L350-L354 VanDerWaalsContact O-CG 3.29Å; L350-L354 WeakPolarHBondContact O-CG 3.49Å; L350-L354 PolarHBondContact O-N 3.44Å; L354-S358 WeakPolarHBondContact O-CB 3.35Å; L354-S358 PolarHBondContact O-N 3.12Å; L354-S358 PolarHBondContact O-OG 2.91Å; L354-N395 HydrophobicContact CD1-CB 4.02Å; L354-N395 HydrophobicContact CD2-CB 4.15Å; L354-M396 HydrophobicContact CD1-CB 4.34Å; L354-M396 HydrophobicContact CD1-CG 3.47Å; L354-M396 VanDerWaalsContact CD1-CG 3.47Å
355	S	79	Confident	72.1	Confident	51 Å²	51	84 Å²	84	36%	0.357	48%	0.478	S	S	.	.	H	α-helix	trans	-66.7	-41.2	174.2	69.9	0	0	0	0	112.7	R351 L352 E353 S358 L359	R351-S355 WeakPolarHBondContact O-CB 3.15Å; R351-S355 PolarHBondContact O-N 2.79Å; R351-S355 PolarHBondContact O-OG 3.33Å; L352-S355 PolarHBondContact O-OG 3.28Å; E353-S355 VanDerWaalsContact C-N 3.35Å; E353-S355 PolarHBondContact O-N 2.91Å; S355-S358 PolarHBondContact O-N 3.09Å; S355-L359 WeakPolarHBondContact O-CB 3.49Å; S355-L359 VanDerWaalsContact O-CG 3.32Å; S355-L359 WeakPolarHBondContact O-CG 3.4Å; S355-L359 PolarHBondContact O-N 3.2Å
356	K	78.8	Confident	69.7	Low	133 Å²	133	84.2 Å²	84.2	58%	0.578	48%	0.484	S	S	*	.	H	α-helix	trans	-63.7	-44	175.7	-73.6	165.1	-171.8	169.1	0	111.3	L352 E353 L359 S360	L352-K356 WeakPolarHBondContact O-CB 3.41Å; L352-K356 WeakPolarHBondContact O-CD 3.2Å; L352-K356 VanDerWaalsContact O-CG 3.24Å; L352-K356 WeakPolarHBondContact O-CG 3.32Å; L352-K356 PolarHBondContact O-N 3.21Å; E353-K356 PolarHBondContact O-N 3.33Å; K356-L359 PolarHBondContact O-N 3.02Å; K356-S360 WeakPolarHBondContact O-CB 3.24Å; K356-S360 PolarHBondContact O-N 3.38Å
357	S	73.3	Confident	67.7	Low	83 Å²	83	85.7 Å²	85.7	58%	0.58	51%	0.512	S	S	*	.	H	α-helix	trans	-64.5	-40.3	176.8	-66.1	0	0	0	0	112	E353 S360 G361	E353-S357 WeakPolarHBondContact O-CB 3.15Å; E353-S357 PolarHBondContact O-N 2.96Å; E353-S357 PolarHBondContact O-OG 3.26Å; S357-S360 PolarHBondContact O-N 2.93Å; S357-G361 PolarHBondContact O-N 3.37Å
358	S	68	Low	65.2	Low	71 Å²	71	93.6 Å²	93.6	50%	0.497	55%	0.55	S	S	.	.	H	α-helix	trans	-63.2	-43	175.4	-58.2	0	0	0	0	112	L354 S355 G361 M362	L354-S358 WeakPolarHBondContact O-CB 3.35Å; L354-S358 PolarHBondContact O-N 3.12Å; L354-S358 PolarHBondContact O-OG 2.91Å; S355-S358 PolarHBondContact O-N 3.09Å; S358-G361 PolarHBondContact O-N 3.29Å; S358-M362 PolarHBondContact O-N 3.25Å
359	L	58.6	Low	63.1	Low	116 Å²	116	96.4 Å²	96.4	61%	0.607	57%	0.572	S	S	*	*	H	α-helix	trans	-66.2	-43	175.1	-72.1	167.2	0	0	0	111.9	S355 K356 G361 M362 V363	S355-L359 WeakPolarHBondContact O-CB 3.49Å; S355-L359 VanDerWaalsContact O-CG 3.32Å; S355-L359 WeakPolarHBondContact O-CG 3.4Å; S355-L359 PolarHBondContact O-N 3.2Å; K356-L359 PolarHBondContact O-N 3.02Å; L359-G361 VanDerWaalsContact C-N 3.26Å; L359-G361 PolarHBondContact O-N 3.44Å; L359-M362 PolarHBondContact O-N 3.3Å; L359-V363 PolarHBondContact O-N 3.41Å
360	S	58.4	Low	60.5	Low	92 Å²	92	97.9 Å²	97.9	64%	0.643	58%	0.583	S	S	*	*	H	α-helix	trans	-60.9	-35.3	176.9	-166.1	0	0	0	0	112.3	K356 S357 M362 V363	K356-S360 WeakPolarHBondContact O-CB 3.24Å; K356-S360 PolarHBondContact O-N 3.38Å; S357-S360 PolarHBondContact O-N 2.93Å; S360-M362 PolarHBondContact O-N 3.4Å; S360-V363 PolarHBondContact O-N 3.49Å
361	G	51.5	Low	58	Low	72 Å²	72	103.3 Å²	103.3	74%	0.742	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-10.7	172.4	0	0	0	0	0	115.2	S357 S358 L359	S357-G361 PolarHBondContact O-N 3.37Å; S358-G361 PolarHBondContact O-N 3.29Å; L359-G361 VanDerWaalsContact C-N 3.26Å; L359-G361 PolarHBondContact O-N 3.44Å
362	M	49	Very low	55.8	Low	156 Å²	156	107.8 Å²	107.8	77%	0.768	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	-5.8	177.7	-69.1	-177.6	64.8	0	0	113.8	S358 L359 S360 G364	S358-M362 PolarHBondContact O-N 3.25Å; L359-M362 PolarHBondContact O-N 3.3Å; S360-M362 PolarHBondContact O-N 3.4Å; M362-G364 VanDerWaalsContact C-N 3.29Å; M362-G364 PolarHBondContact O-N 3.43Å; M362-G364 VanDerWaalsContact O-N 3.07Å
363	V	45.1	Very low	53.8	Low	134 Å²	134	113.2 Å²	113.2	81%	0.812	67%	0.673	S	S	*	*			trans	-86.7	71.3	175.6	-172.5	0	0	0	0	110.3	L359 S360	L359-V363 PolarHBondContact O-N 3.41Å; S360-V363 PolarHBondContact O-N 3.49Å
364	G	46.1	Very low	51.4	Low	61 Å²	61	118.8 Å²	118.8	63%	0.629	70%	0.699	S	S	*	*	S	Bend	trans	-133.6	114.9	168.4	0	0	0	0	0	110.2	M362 D366	M362-G364 VanDerWaalsContact C-N 3.29Å; M362-G364 PolarHBondContact O-N 3.43Å; M362-G364 VanDerWaalsContact O-N 3.07Å; G364-D366 PolarHBondContact O-N 3.28Å
365	E	44.4	Very low	49.6	Very low	193 Å²	193	125.7 Å²	125.7	90%	0.902	73%	0.73	S	S	*	*	S	Bend	trans	45.3	63.9	170.5	-60.7	-170.7	139.8	0	0	116.7
366	D	37	Very low	47.7	Very low	171 Å²	171	128.5 Å²	128.5	91%	0.914	74%	0.741	S	S	*	*				-177.7	152.9	105.1	-98.4	-27.7	0	0	0	112.1	G364	G364-D366 PolarHBondContact O-N 3.28Å
367	G	45.8	Very low	46	Very low	79 Å²	79	126.3 Å²	126.3	81%	0.814	74%	0.74	S	S	*	*			trans	-105.7	109.8	-173	0	0	0	0	0	114
368	E	35.6	Very low	44.6	Very low	184 Å²	184	127.5 Å²	127.5	86%	0.86	75%	0.745	S	S	*	*			trans	-145.1	129.1	151.5	-134.9	173.7	-141.1	0	0	111.5
369	S	42.4	Very low	43.8	Very low	111 Å²	111	125.1 Å²	125.1	78%	0.776	73%	0.732	S	S	*	*			trans	-95.2	118	-175	58	0	0	0	0	111.1
370	N	32.5	Very low	43.4	Very low	144 Å²	144	124.6 Å²	124.6	77%	0.77	73%	0.734	S	S	*	*			trans	-133.6	107.5	167.8	-94.2	-56.4	0	0	0	109.3
371	V	34.7	Very low	43.1	Very low	126 Å²	126	126.9 Å²	126.9	76%	0.764	73%	0.734	S	S	*	*			trans	-114.5	102.5	175.1	-179.7	0	0	0	0	108.2	Q373	V371-Q373 PolarHBondContact O-N 2.9Å
372	P	37.8	Very low	43.5	Very low	121 Å²	121	127.4 Å²	127.4	79%	0.786	72%	0.72	S	S	*	*			trans	-67.2	121.4	158.8	-12.1	28.5	0	0	0	108
373	Q	42.1	Very low	44.2	Very low	174 Å²	174	123.6 Å²	123.6	81%	0.813	70%	0.703	S	S	*	*			trans	-78.7	123.5	166.7	-67.2	178.6	-97.3	0	0	108.9	V371	V371-Q373 PolarHBondContact O-N 2.9Å
374	E	35.1	Very low	45.1	Very low	187 Å²	187	121.8 Å²	121.8	87%	0.874	70%	0.702	S	S	*	*			trans	-138	123.6	157.4	-162.8	148.7	-141.9	0	0	107.4	L376	E374-L376 PolarHBondContact O-N 3.12Å
375	E	46.1	Very low	46.6	Very low	181 Å²	181	121.9 Å²	121.9	85%	0.846	69%	0.688	S	S	*	*			trans	-87.9	95.8	-163.6	-67	-176.6	126.4	0	0	112.1
376	L	39.9	Very low	48.2	Very low	110 Å²	110	116.9 Å²	116.9	58%	0.576	67%	0.672	S	S	*	*			trans	-131.7	146.9	162.3	-70.9	176.4	0	0	0	110.4	E374 E381	E374-L376 PolarHBondContact O-N 3.12Å; L376-E381 WeakPolarHBondContact CD1-OE1 3.2Å
377	P	43.4	Very low	50.3	Low	87 Å²	87	111.7 Å²	111.7	57%	0.565	65%	0.653	S	S	*	*			trans	-63.6	127.4	-174.3	23.9	-33	0	0	0	111.6	G379 T380	P377-G379 PolarHBondContact O-N 3Å; P377-T380 HydrophobicContact CG-CG2 4.47Å; P377-T380 PolarHBondContact O-OG1 2.91Å
378	P	44	Very low	51.9	Low	107 Å²	107	113.8 Å²	113.8	70%	0.695	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	104.5	-176.7	-24.7	34.9	0	0	0	112.9	L352	L352-P378 HydrophobicContact CD2-CB 4.4Å
379	G	50.8	Low	54	Low	21 Å²	21	108.6 Å²	108.6	22%	0.216	61%	0.612	C	S	.	*	T	Hydrogen-bonded Turn	trans	143.1	-20	171.1	0	0	0	0	0	116	R351 P377	R351-G379 PolarHBondContact NH1-O 3.43Å; P377-G379 PolarHBondContact O-N 3Å
380	T	49.3	Very low	56	Low	106 Å²	106	108.1 Å²	108.1	65%	0.65	60%	0.604	S	S	*	*			trans	-89.5	-15	-170.1	52.9	0	0	0	0	115.8	P377	P377-T380 HydrophobicContact CG-CG2 4.47Å; P377-T380 PolarHBondContact O-OG1 2.91Å
381	E	52.3	Low	58.6	Low	139 Å²	139	105 Å²	105	65%	0.65	59%	0.591	S	S	*	*	S	Bend	trans	-91.6	127.7	177.2	-62.1	-155.4	137.1	0	0	111.9	L376 L383	L376-E381 WeakPolarHBondContact CD1-OE1 3.2Å; E381-L383 PolarHBondContact O-N 3.2Å
382	D	59.8	Low	61	Low	84 Å²	84	100.3 Å²	100.3	45%	0.449	56%	0.561	S	S	.	*			trans	-77.2	118.6	173.6	-77.7	-34.3	0	0	0	110.3	R351 A384 R389	R351-D382 IonicContact NH1-OD1 3.68Å; R351-D382 IonicContact NH2-OD1 3.91Å; D382-A384 PolarHBondContact O-N 2.93Å; D382-A384 VanDerWaalsContact O-N 3.17Å; D382-R389 PolarHBondContact O-NH1 3.25Å
383	L	64	Low	63.4	Low	75 Å²	75	96.3 Å²	96.3	39%	0.393	53%	0.532	S	S	.	.			trans	-40.8	119.2	-176.4	-62.4	172.5	0	0	0	112	E381 D385 K388 R389 E392	E381-L383 PolarHBondContact O-N 3.2Å; L383-D385 PolarHBondContact O-N 3.32Å; L383-K388 HydrophobicContact CD1-CB 4.17Å; L383-R389 HydrophobicContact CB-CG 3.86Å; L383-R389 VanDerWaalsContact O-CD 3.23Å; L383-R389 WeakPolarHBondContact O-CD 3.37Å; L383-R389 VanDerWaalsContact O-CG 3.29Å; L383-R389 WeakPolarHBondContact O-CG 3.42Å; L383-R389 PolarHBondContact O-NE 3.02Å; L383-R389 VanDerWaalsContact O-NE 3.09Å; L383-R389 PolarHBondContact O-NH1 3.38Å; L383-R389 PolarHBondContact O-NH2 2.71Å; L383-E392 HydrophobicContact CD1-CB 4.19Å
384	A	62.8	Low	65.6	Low	96 Å²	96	90.5 Å²	90.5	79%	0.793	51%	0.505	S	S	*	.	S	Bend	trans	-55.7	-30.4	-168.7	0	0	0	0	0	114.5	D382 P386 R389	D382-A384 PolarHBondContact O-N 2.93Å; D382-A384 VanDerWaalsContact O-N 3.17Å; A384-P386 WeakPolarHBondContact O-CD 2.97Å; A384-R389 PolarHBondContact O-NH2 3.48Å
385	D	78.4	Confident	68.2	Low	64 Å²	64	85.5 Å²	85.5	34%	0.342	48%	0.484	S	S	.	.	S	Bend	trans	-79.5	116.9	177.4	-177.9	-14	0	0	0	111.7	L383 A387 K388 R389	L383-D385 PolarHBondContact O-N 3.32Å; D385-A387 VanDerWaalsContact C-N 3.27Å; D385-A387 PolarHBondContact O-N 3.21Å; D385-A387 WeakPolarHBondContact OD1-CB 3.21Å; D385-A387 PolarHBondContact OD1-N 3.06Å; D385-K388 HydrophobicContact CB-CB 4.11Å; D385-K388 HydrophobicContact CB-CD 3.95Å; D385-K388 HydrophobicContact CB-CG 4.02Å; D385-K388 PolarHBondContact O-N 2.71Å; D385-K388 VanDerWaalsContact OD2-CE 3.27Å; D385-K388 WeakPolarHBondContact OD2-CE 3.37Å; D385-K388 WeakPolarHBondContact OD2-CG 3.49Å; D385-R389 PolarHBondContact O-N 3.17Å
386	P	77.3	Confident	70.3	Confident	87 Å²	87	77 Å²	77	57%	0.565	44%	0.444	S	S	*	.	H	α-helix	trans	-55.9	-35.4	176.2	-23.5	33.8	0	0	0	114.5	A384 R389 V390	A384-P386 WeakPolarHBondContact O-CD 2.97Å; P386-R389 PolarHBondContact O-N 3.44Å; P386-V390 PolarHBondContact O-N 3.25Å
387	A	80.9	Confident	72.9	Confident	63 Å²	63	73.5 Å²	73.5	52%	0.521	42%	0.424	S	S	.	.	H	α-helix	trans	-69.1	-40.8	-178.7	0	0	0	0	0	111.1	D385 R389 V390 T391	D385-A387 VanDerWaalsContact C-N 3.27Å; D385-A387 PolarHBondContact O-N 3.21Å; D385-A387 WeakPolarHBondContact OD1-CB 3.21Å; D385-A387 PolarHBondContact OD1-N 3.06Å; A387-R389 PolarHBondContact O-N 3.25Å; A387-V390 PolarHBondContact O-N 3.31Å; A387-T391 PolarHBondContact O-N 2.94Å; A387-T391 VanDerWaalsContact O-N 3.11Å; A387-T391 PolarHBondContact O-OG1 2.82Å
388	K	81.3	Confident	75.3	Confident	123 Å²	123	74.8 Å²	74.8	54%	0.535	42%	0.422	S	S	.	.	H	α-helix	trans	-66.8	-34.9	177.4	-66.5	179.6	-171.6	179.1	0	112.7	L383 D385 T391 E392	L383-K388 HydrophobicContact CD1-CB 4.17Å; D385-K388 HydrophobicContact CB-CB 4.11Å; D385-K388 HydrophobicContact CB-CD 3.95Å; D385-K388 HydrophobicContact CB-CG 4.02Å; D385-K388 PolarHBondContact O-N 2.71Å; D385-K388 VanDerWaalsContact OD2-CE 3.27Å; D385-K388 WeakPolarHBondContact OD2-CE 3.37Å; D385-K388 WeakPolarHBondContact OD2-CG 3.49Å; K388-T391 WeakPolarHBondContact CA-OG1 3.4Å; K388-T391 PolarHBondContact O-N 3.37Å; K388-T391 PolarHBondContact O-OG1 3.38Å; K388-E392 WeakPolarHBondContact O-CB 3.28Å; K388-E392 PolarHBondContact O-N 3.03Å
389	R	78.5	Confident	77.6	Confident	74 Å²	74	72.9 Å²	72.9	28%	0.279	40%	0.403	S	S	.	.	H	α-helix	trans	-60.6	-45.3	171.4	-74.6	-176.4	-75.8	-126.6	-16.6	111.8	D382 L383 A384 D385 P386 A387 T391 E392 I393	D382-R389 PolarHBondContact O-NH1 3.25Å; L383-R389 HydrophobicContact CB-CG 3.86Å; L383-R389 VanDerWaalsContact O-CD 3.23Å; L383-R389 WeakPolarHBondContact O-CD 3.37Å; L383-R389 VanDerWaalsContact O-CG 3.29Å; L383-R389 WeakPolarHBondContact O-CG 3.42Å; L383-R389 PolarHBondContact O-NE 3.02Å; L383-R389 VanDerWaalsContact O-NE 3.09Å; L383-R389 PolarHBondContact O-NH1 3.38Å; L383-R389 PolarHBondContact O-NH2 2.71Å; A384-R389 PolarHBondContact O-NH2 3.48Å; D385-R389 PolarHBondContact O-N 3.17Å; P386-R389 PolarHBondContact O-N 3.44Å; A387-R389 PolarHBondContact O-N 3.25Å; R389-T391 PolarHBondContact O-N 2.96Å; R389-E392 PolarHBondContact O-N 2.92Å; R389-I393 WeakPolarHBondContact O-CB 3.4Å; R389-I393 WeakPolarHBondContact O-CD1 3.22Å; R389-I393 WeakPolarHBondContact O-CG1 3.44Å; R389-I393 PolarHBondContact O-N 3.17Å
390	V	84.3	Confident	79.6	Confident	101 Å²	101	71.9 Å²	71.9	61%	0.612	39%	0.393	S	S	*	.	H	α-helix	trans	-61.9	-43	177.9	174.9	0	0	0	0	111.4	P386 A387 E394	P386-V390 PolarHBondContact O-N 3.25Å; A387-V390 PolarHBondContact O-N 3.31Å; V390-E394 WeakPolarHBondContact O-CB 3.42Å; V390-E394 PolarHBondContact O-N 3.31Å
391	T	86.7	Confident	81.8	Confident	80 Å²	80	68.2 Å²	68.2	49%	0.491	37%	0.369	S	S	.	.	H	α-helix	trans	-70.1	-33.9	176.6	55.7	0	0	0	0	113.2	A387 K388 R389 N395	A387-T391 PolarHBondContact O-N 2.94Å; A387-T391 VanDerWaalsContact O-N 3.11Å; A387-T391 PolarHBondContact O-OG1 2.82Å; K388-T391 WeakPolarHBondContact CA-OG1 3.4Å; K388-T391 PolarHBondContact O-N 3.37Å; K388-T391 PolarHBondContact O-OG1 3.38Å; R389-T391 PolarHBondContact O-N 2.96Å; T391-N395 VanDerWaalsContact O-CB 3.3Å; T391-N395 WeakPolarHBondContact O-CB 3.49Å; T391-N395 PolarHBondContact O-N 3.07Å; T391-N395 PolarHBondContact O-ND2 3.32Å; T391-N395 PolarHBondContact O-OD1 3.18Å
392	E	86.4	Confident	83.8	Confident	27 Å²	27	66.6 Å²	66.6	13%	0.126	36%	0.361	C	S	.	.	H	α-helix	trans	-62.9	-51.5	173	-179.4	-176.2	-137.1	0	0	111	R351 L383 K388 R389 E394 N395 M396	R351-E392 IonicContact CZ-OE1 2.88Å; R351-E392 IonicContact CZ-OE2 3.99Å; R351-E392 IonicContact NE-OE1 2.84Å; R351-E392 PolarHBondContact NE-OE1 3.46Å; R351-E392 IonicContact NE-OE2 3.18Å; R351-E392 IonicContact NH2-OE1 3.55Å; R351-E392 PolarHBondContact NH2-OE1 2.98Å; R351-E392 IonicContact NH2-OE2 2.76Å; R351-E392 PolarHBondContact NH2-OE2 3.36Å; L383-E392 HydrophobicContact CD1-CB 4.19Å; K388-E392 WeakPolarHBondContact O-CB 3.28Å; K388-E392 PolarHBondContact O-N 3.03Å; R389-E392 PolarHBondContact O-N 2.92Å; E392-E394 VanDerWaalsContact C-N 3.29Å; E392-E394 PolarHBondContact O-N 3.5Å; E392-N395 PolarHBondContact O-N 3.1Å; E392-M396 HydrophobicContact CG-SD 4.3Å; E392-M396 WeakPolarHBondContact O-CG 3.28Å; E392-M396 PolarHBondContact O-N 2.88Å
393	I	87.4	Confident	85.4	Confident	37 Å²	37	65.5 Å²	65.5	19%	0.19	36%	0.357	C	S	.	.	H	α-helix	trans	-55.4	-45.3	178.4	-71	159.8	0	0	0	110.9	H337 P338 R389 M396 R397	H337-I393 WeakPolarHBondContact NE2-CD1 3.21Å; P338-I393 HydrophobicContact CG-CG2 4.4Å; R389-I393 WeakPolarHBondContact O-CB 3.4Å; R389-I393 WeakPolarHBondContact O-CD1 3.22Å; R389-I393 WeakPolarHBondContact O-CG1 3.44Å; R389-I393 PolarHBondContact O-N 3.17Å; I393-M396 PolarHBondContact O-N 3.47Å; I393-R397 WeakPolarHBondContact O-CG 3.48Å; I393-R397 PolarHBondContact O-N 3.05Å
394	E	89.4	Confident	86.9	Confident	52 Å²	52	62.9 Å²	62.9	24%	0.243	34%	0.342	C	S	.	.	H	α-helix	trans	-73.3	-34.7	-177.6	-160.6	50.6	-129.4	0	0	112.5	Q334 V390 E392 R397 H398	Q334-E394 PolarHBondContact NE2-OE1 3.19Å; Q334-E394 PolarHBondContact OE1-OE1 3.29Å; V390-E394 WeakPolarHBondContact O-CB 3.42Å; V390-E394 PolarHBondContact O-N 3.31Å; E392-E394 VanDerWaalsContact C-N 3.29Å; E392-E394 PolarHBondContact O-N 3.5Å; E394-R397 PolarHBondContact O-N 3.04Å; E394-R397 WeakPolarHBondContact OE2-CD 3.3Å; E394-R397 IonicContact OE2-CZ 3.52Å; E394-R397 IonicContact OE2-NE 2.74Å; E394-R397 IonicContact OE2-NH1 3.77Å; E394-R397 PolarHBondContact OE2-NH1 2.72Å; E394-H398 PolarHBondContact O-N 2.82Å; E394-H398 PolarHBondContact O-ND1 3.25Å; E394-H398 IonicContact OE1-CE1 3.45Å; E394-H398 PolarHBondContact OE1-CE1 2.93Å; E394-H398 IonicContact OE1-ND1 3.51Å; E394-H398 PolarHBondContact OE1-ND1 3.26Å
395	N	90.1	Very high	88.5	Confident	81 Å²	81	60.9 Å²	60.9	43%	0.433	32%	0.317	S	S	.	.	H	α-helix	trans	-64.5	-39.7	170.5	-72.3	-12	0	0	0	111.9	L354 T391 E392 H398 K399	L354-N395 HydrophobicContact CD1-CB 4.02Å; L354-N395 HydrophobicContact CD2-CB 4.15Å; T391-N395 VanDerWaalsContact O-CB 3.3Å; T391-N395 WeakPolarHBondContact O-CB 3.49Å; T391-N395 PolarHBondContact O-N 3.07Å; T391-N395 PolarHBondContact O-ND2 3.32Å; T391-N395 PolarHBondContact O-OD1 3.18Å; E392-N395 PolarHBondContact O-N 3.1Å; N395-H398 PolarHBondContact O-N 2.98Å; N395-K399 WeakPolarHBondContact O-CB 3.49Å; N395-K399 PolarHBondContact O-N 2.76Å
396	M	90.2	Very high	89.3	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.01	33%	0.332	C	S	.	.	H	α-helix	trans	-63.1	-44.7	174.7	-70.1	-178.2	91	0	0	111.3	P338 L342 F347 L350 R351 L354 E392 I393 H398 K399 V400	P338-M396 HydrophobicContact CB-CB 4.42Å; P338-M396 HydrophobicContact CB-SD 4.49Å; P338-M396 HydrophobicContact CG-CB 4.07Å; L342-M396 HydrophobicContact CD1-CE 4.48Å; F347-M396 HydrophobicContact CD2-CE 3.5Å; F347-M396 VanDerWaalsContact CD2-CE 3.5Å; F347-M396 HydrophobicContact CD2-SD 4.35Å; F347-M396 HydrophobicContact CE2-CE 3.63Å; F347-M396 HydrophobicContact CE2-SD 3.88Å; F347-M396 HydrophobicContact CG-CE 4.01Å; F347-M396 HydrophobicContact CZ-CE 4.26Å; F347-M396 HydrophobicContact CZ-SD 4.36Å; F347-M396 VanDerWaalsContact O-CE 3.32Å; F347-M396 WeakPolarHBondContact O-CE 3.43Å; L350-M396 HydrophobicContact CB-CE 3.85Å; R351-M396 HydrophobicContact CB-CE 4.46Å; L354-M396 HydrophobicContact CD1-CB 4.34Å; L354-M396 HydrophobicContact CD1-CG 3.47Å; L354-M396 VanDerWaalsContact CD1-CG 3.47Å; E392-M396 HydrophobicContact CG-SD 4.3Å; E392-M396 WeakPolarHBondContact O-CG 3.28Å; E392-M396 PolarHBondContact O-N 2.88Å; I393-M396 PolarHBondContact O-N 3.47Å; M396-H398 PolarHBondContact O-N 2.83Å; M396-K399 PolarHBondContact O-N 2.87Å; M396-V400 WeakPolarHBondContact O-CG2 3.26Å; M396-V400 PolarHBondContact O-N 2.79Å
397	R	93.8	Very high	90.2	Very high	37 Å²	37	63.5 Å²	63.5	14%	0.14	32%	0.323	C	S	.	.	H	α-helix	trans	-58.6	-47	175.1	-73.3	165.3	162.2	-167.1	-9.7	112.4	V333 Q334 N336 P338 I393 E394 K399 V400 I401	V333-R397 HydrophobicContact CG1-CB 3.83Å; V333-R397 HydrophobicContact CG1-CG 3.86Å; V333-R397 PolarHBondContact O-NE 3.33Å; Q334-R397 VanDerWaalsContact O-CZ 3.25Å; Q334-R397 PolarHBondContact O-NH1 3.16Å; Q334-R397 PolarHBondContact O-NH2 3.21Å; N336-R397 PolarHBondContact O-NE 3.08Å; N336-R397 PolarHBondContact O-NH2 3.05Å; P338-R397 HydrophobicContact CG-CG 4.15Å; I393-R397 WeakPolarHBondContact O-CG 3.48Å; I393-R397 PolarHBondContact O-N 3.05Å; E394-R397 PolarHBondContact O-N 3.04Å; E394-R397 WeakPolarHBondContact OE2-CD 3.3Å; E394-R397 IonicContact OE2-CZ 3.52Å; E394-R397 IonicContact OE2-NE 2.74Å; E394-R397 IonicContact OE2-NH1 3.77Å; E394-R397 PolarHBondContact OE2-NH1 2.72Å; R397-K399 VanDerWaalsContact C-N 3.33Å; R397-K399 PolarHBondContact O-N 3.46Å; R397-V400 PolarHBondContact O-N 3.03Å; R397-I401 WeakPolarHBondContact O-CG1 3.47Å; R397-I401 PolarHBondContact O-N 3.43Å
398	H	93.3	Very high	91	Very high	115 Å²	115	61.1 Å²	61.1	53%	0.532	30%	0.301	S	S	.	.	H	α-helix	trans	-59.2	-44.5	175.7	-80.2	72.8	0	0	0	111.4	E394 N395 M396 I401 E402	E394-H398 PolarHBondContact O-N 2.82Å; E394-H398 PolarHBondContact O-ND1 3.25Å; E394-H398 IonicContact OE1-CE1 3.45Å; E394-H398 PolarHBondContact OE1-CE1 2.93Å; E394-H398 IonicContact OE1-ND1 3.51Å; E394-H398 PolarHBondContact OE1-ND1 3.26Å; N395-H398 PolarHBondContact O-N 2.98Å; M396-H398 PolarHBondContact O-N 2.83Å; H398-I401 PolarHBondContact O-N 3.45Å; H398-E402 WeakPolarHBondContact O-CB 3.26Å; H398-E402 PolarHBondContact O-N 2.92Å
399	K	92	Very high	91.8	Very high	66 Å²	66	58.8 Å²	58.8	29%	0.287	29%	0.294	S	S	.	.	H	α-helix	trans	-67.9	-38.5	-179.6	-171.4	55.2	180	174.4	0	113.2	L350 N395 M396 R397 E402 V403	L350-K399 HydrophobicContact CD2-CB 4.39Å; L350-K399 HydrophobicContact CD2-CG 3.66Å; N395-K399 WeakPolarHBondContact O-CB 3.49Å; N395-K399 PolarHBondContact O-N 2.76Å; M396-K399 PolarHBondContact O-N 2.87Å; R397-K399 VanDerWaalsContact C-N 3.33Å; R397-K399 PolarHBondContact O-N 3.46Å; K399-E402 WeakPolarHBondContact CD-OE2 3.19Å; K399-E402 WeakPolarHBondContact CE-OE2 3.38Å; K399-E402 IonicContact NZ-OE2 3.14Å; K399-E402 PolarHBondContact NZ-OE2 3.45Å; K399-E402 PolarHBondContact O-N 2.69Å; K399-V403 HydrophobicContact CD-CG2 4.49Å; K399-V403 WeakPolarHBondContact O-CG2 3.19Å; K399-V403 PolarHBondContact O-N 3.16Å; K399-V403 VanDerWaalsContact O-N 3.08Å
400	V	93.8	Very high	92.7	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.006	31%	0.309	C	S	.	.	H	α-helix	trans	-61.2	-46.1	172.9	169.3	0	0	0	0	110.9	F329 V333 F341 L342 L350 M396 R397 V403 R404	F329-V400 HydrophobicContact CZ-CG1 3.82Å; V333-V400 HydrophobicContact CG1-CG1 4.45Å; V333-V400 HydrophobicContact CG2-CG1 3.96Å; F341-V400 HydrophobicContact CE2-CG1 4.3Å; L342-V400 HydrophobicContact CD1-CG2 4.1Å; L342-V400 HydrophobicContact CD2-CG2 3.87Å; L350-V400 HydrophobicContact CD1-CG2 3.78Å; M396-V400 WeakPolarHBondContact O-CG2 3.26Å; M396-V400 PolarHBondContact O-N 2.79Å; R397-V400 PolarHBondContact O-N 3.03Å; V400-V403 PolarHBondContact O-N 2.93Å; V400-R404 WeakPolarHBondContact O-CD 3.25Å; V400-R404 PolarHBondContact O-N 3.26Å
401	I	95.4	Very high	93.3	Very high	28 Å²	28	56.7 Å²	56.7	14%	0.144	28%	0.281	C	S	.	.	H	α-helix	trans	-65	-40.4	178.1	-69	166.9	0	0	0	111.3	F329 K330 V333 Q334 R397 H398 R404 Q405	F329-I401 HydrophobicContact CE1-CG1 4.46Å; K330-I401 HydrophobicContact CB-CD1 4.47Å; K330-I401 HydrophobicContact CD-CG2 4.29Å; K330-I401 HydrophobicContact CG-CD1 4.27Å; K330-I401 HydrophobicContact CG-CG1 4.29Å; K330-I401 HydrophobicContact CG-CG2 4.06Å; V333-I401 HydrophobicContact CB-CD1 4.27Å; V333-I401 HydrophobicContact CB-CG1 4.24Å; V333-I401 HydrophobicContact CG1-CD1 3.84Å; V333-I401 HydrophobicContact CG1-CG1 3.87Å; Q334-I401 HydrophobicContact CG-CD1 4.37Å; R397-I401 WeakPolarHBondContact O-CG1 3.47Å; R397-I401 PolarHBondContact O-N 3.43Å; H398-I401 PolarHBondContact O-N 3.45Å; I401-R404 PolarHBondContact O-N 3.33Å; I401-Q405 VanDerWaalsContact O-CB 3.27Å; I401-Q405 WeakPolarHBondContact O-CB 3.48Å; I401-Q405 PolarHBondContact O-N 3.37Å
402	E	94.7	Very high	93.8	Very high	105 Å²	105	56.5 Å²	56.5	49%	0.491	27%	0.274	S	S	.	.	H	α-helix	trans	-59.4	-49.3	176.8	-174.7	-176.7	-120.1	0	0	111.8	H398 K399 R404 Q405 E406	H398-E402 WeakPolarHBondContact O-CB 3.26Å; H398-E402 PolarHBondContact O-N 2.92Å; K399-E402 WeakPolarHBondContact CD-OE2 3.19Å; K399-E402 WeakPolarHBondContact CE-OE2 3.38Å; K399-E402 IonicContact NZ-OE2 3.14Å; K399-E402 PolarHBondContact NZ-OE2 3.45Å; K399-E402 PolarHBondContact O-N 2.69Å; E402-R404 PolarHBondContact O-N 2.74Å; E402-Q405 WeakPolarHBondContact O-CB 3.27Å; E402-Q405 PolarHBondContact O-N 3.21Å; E402-E406 PolarHBondContact O-N 2.98Å
403	V	92.5	Very high	94.3	Very high	61 Å²	61	61.2 Å²	61.2	37%	0.37	30%	0.296	S	S	.	.	H	α-helix	trans	-62	-43.2	179.7	172.7	0	0	0	0	111.7	K399 V400 Q405 E406	K399-V403 HydrophobicContact CD-CG2 4.49Å; K399-V403 WeakPolarHBondContact O-CG2 3.19Å; K399-V403 PolarHBondContact O-N 3.16Å; K399-V403 VanDerWaalsContact O-N 3.08Å; V400-V403 PolarHBondContact O-N 2.93Å; V403-Q405 VanDerWaalsContact C-N 3.34Å; V403-E406 PolarHBondContact O-N 3.43Å
404	R	95.4	Very high	94.7	Very high	21 Å²	21	61.2 Å²	61.2	8%	0.079	30%	0.295	C	S	.	.	H	α-helix	trans	-76.7	-18.8	178.6	-80.9	70.9	171.7	-176.4	-3.5	113.1	D312 L315 F326 F329 E346 V400 I401 E402 E406 V407 F408	D312-R404 WeakPolarHBondContact OD1-CG 3.41Å; D312-R404 IonicContact OD1-CZ 3.62Å; D312-R404 IonicContact OD1-NE 3.24Å; D312-R404 PolarHBondContact OD1-NE 3.39Å; D312-R404 IonicContact OD1-NH2 3.62Å; D312-R404 IonicContact OD2-CZ 2.75Å; D312-R404 IonicContact OD2-NE 2.76Å; D312-R404 IonicContact OD2-NH2 3.4Å; D312-R404 PolarHBondContact OD2-NH2 2.86Å; L315-R404 HydrophobicContact CD1-CB 4.21Å; L315-R404 HydrophobicContact CD1-CG 4.27Å; F326-R404 HydrophobicContact CE2-CB 4.49Å; F329-R404 HydrophobicContact CD1-CB 4.37Å; F329-R404 HydrophobicContact CE1-CB 3.55Å; F329-R404 HydrophobicContact CE1-CG 3.92Å; F329-R404 HydrophobicContact CE2-CG 4.36Å; F329-R404 HydrophobicContact CZ-CB 3.81Å; F329-R404 HydrophobicContact CZ-CG 3.61Å; E346-R404 IonicContact OE1-CZ 3.18Å; E346-R404 VanDerWaalsContact OE1-CZ 3.32Å; E346-R404 IonicContact OE1-NH1 2.69Å; E346-R404 PolarHBondContact OE1-NH1 2.89Å; E346-R404 IonicContact OE1-NH2 3.36Å; E346-R404 PolarHBondContact OE1-NH2 3.43Å; E346-R404 IonicContact OE2-NH2 3.49Å; E346-R404 PolarHBondContact OE2-NH2 3.38Å; V400-R404 WeakPolarHBondContact O-CD 3.25Å; V400-R404 PolarHBondContact O-N 3.26Å; I401-R404 PolarHBondContact O-N 3.33Å; E402-R404 PolarHBondContact O-N 2.74Å; R404-E406 VanDerWaalsContact C-N 3.33Å; R404-V407 PolarHBondContact O-N 2.77Å; R404-F408 WeakPolarHBondContact O-CB 3.23Å; R404-F408 PolarHBondContact O-N 3.21Å
405	Q	96.9	Very high	95.1	Very high	54 Å²	54	58.8 Å²	58.8	25%	0.252	28%	0.284	S	S	.	.	H	α-helix	trans	-65.4	-34.3	172.1	-177.3	73.2	67.6	0	0	111.6	F326 I401 E402 V403 F408 N409	F326-Q405 VanDerWaalsContact CE1-CD 3.48Å; F326-Q405 HydrophobicContact CZ-CB 3.88Å; F326-Q405 HydrophobicContact CZ-CG 4.29Å; F326-Q405 VanDerWaalsContact CZ-OE1 3.25Å; I401-Q405 VanDerWaalsContact O-CB 3.27Å; I401-Q405 WeakPolarHBondContact O-CB 3.48Å; I401-Q405 PolarHBondContact O-N 3.37Å; E402-Q405 WeakPolarHBondContact O-CB 3.27Å; E402-Q405 PolarHBondContact O-N 3.21Å; V403-Q405 VanDerWaalsContact C-N 3.34Å; Q405-F408 PolarHBondContact O-N 3.34Å; Q405-N409 PolarHBondContact NE2-OD1 3.27Å; Q405-N409 WeakPolarHBondContact O-CB 3.44Å; Q405-N409 PolarHBondContact O-N 3.27Å; Q405-N409 PolarHBondContact O-ND2 3.04Å; Q405-N409 PolarHBondContact O-OD1 3.49Å; Q405-N409 VanDerWaalsContact O-OD1 3.07Å
406	E	95.1	Very high	95.5	Very high	143 Å²	143	59.1 Å²	59.1	67%	0.668	29%	0.293	S	S	*	.	H	α-helix	trans	-66	-44.6	175.6	-62.8	-172.4	162.6	0	0	111.9	E402 V403 R404 N409 H410	E402-E406 PolarHBondContact O-N 2.98Å; V403-E406 PolarHBondContact O-N 3.43Å; R404-E406 VanDerWaalsContact C-N 3.33Å; E406-N409 PolarHBondContact O-N 2.83Å; E406-H410 PolarHBondContact O-N 3.11Å; E406-H410 VanDerWaalsContact O-N 3.12Å
407	V	96.4	Very high	95.8	Very high	62 Å²	62	63.8 Å²	63.8	38%	0.376	31%	0.313	S	S	.	.	H	α-helix	trans	-60.8	-45.7	174.8	-177.3	0	0	0	0	110.8	R404 N409 H410 N411	R404-V407 PolarHBondContact O-N 2.77Å; V407-N409 PolarHBondContact O-N 2.95Å; V407-H410 PolarHBondContact O-N 3.03Å; V407-N411 PolarHBondContact O-N 3.01Å
408	F	97.4	Very high	96	Very high	14 Å²	14	62.3 Å²	62.3	6%	0.061	31%	0.308	C	S	.	.	H	α-helix	trans	-58.4	-46.8	175	172.6	-92.1	0	0	0	112.3	Y322 F326 R404 Q405 H410 N411 E412	Y322-F408 HydrophobicContact CD2-CD2 4.29Å; Y322-F408 AromaticContact CD2-CE2 3.43Å; Y322-F408 HydrophobicContact CD2-CE2 3.43Å; Y322-F408 VanDerWaalsContact CD2-CE2 3.43Å; Y322-F408 AromaticContact CD2-CZ 3.83Å; Y322-F408 HydrophobicContact CD2-CZ 3.83Å; Y322-F408 AromaticContact CE2-CE2 3.82Å; Y322-F408 HydrophobicContact CE2-CE2 3.82Å; Y322-F408 AromaticContact CE2-CZ 3.69Å; Y322-F408 HydrophobicContact CE2-CZ 3.69Å; Y322-F408 HydrophobicContact CG-CE2 4.47Å; F326-F408 HydrophobicContact CB-CD2 3.42Å; F326-F408 VanDerWaalsContact CB-CD2 3.42Å; F326-F408 HydrophobicContact CB-CE2 3.67Å; F326-F408 HydrophobicContact CB-CG 4.21Å; F326-F408 HydrophobicContact CD1-CB 3.98Å; F326-F408 AromaticContact CD1-CD1 3.64Å; F326-F408 HydrophobicContact CD1-CD1 3.64Å; F326-F408 AromaticContact CD1-CD2 3.37Å; F326-F408 HydrophobicContact CD1-CD2 3.37Å; F326-F408 AromaticContact CD1-CE1 3.96Å; F326-F408 HydrophobicContact CD1-CE1 3.96Å; F326-F408 AromaticContact CD1-CE2 3.7Å; F326-F408 HydrophobicContact CD1-CE2 3.7Å; F326-F408 AromaticContact CD1-CG 3.33Å; F326-F408 HydrophobicContact CD1-CG 3.33Å; F326-F408 AromaticContact CD1-CZ 3.99Å; F326-F408 HydrophobicContact CD1-CZ 3.99Å; F326-F408 HydrophobicContact CD2-CB 4.06Å; F326-F408 HydrophobicContact CD2-CD2 4.2Å; F326-F408 HydrophobicContact CD2-CG 4.22Å; F326-F408 HydrophobicContact CE1-CB 3.91Å; F326-F408 AromaticContact CE1-CD1 3.63Å; F326-F408 HydrophobicContact CE1-CD1 3.63Å; F326-F408 HydrophobicContact CE1-CD2 4.12Å; F326-F408 HydrophobicContact CE1-CE1 4.21Å; F326-F408 AromaticContact CE1-CG 3.57Å; F326-F408 HydrophobicContact CE1-CG 3.57Å; F326-F408 HydrophobicContact CE2-CB 4.03Å; F326-F408 HydrophobicContact CE2-CG 4.44Å; F326-F408 HydrophobicContact CG-CB 4.05Å; F326-F408 HydrophobicContact CG-CD1 4.43Å; F326-F408 AromaticContact CG-CD2 3.42Å; F326-F408 HydrophobicContact CG-CD2 3.42Å; F326-F408 VanDerWaalsContact CG-CD2 3.42Å; F326-F408 AromaticContact CG-CE2 3.97Å; F326-F408 HydrophobicContact CG-CE2 3.97Å; F326-F408 AromaticContact CG-CG 3.68Å; F326-F408 HydrophobicContact CG-CG 3.68Å; F326-F408 HydrophobicContact CZ-CB 3.95Å; F326-F408 HydrophobicContact CZ-CD1 4.44Å; F326-F408 HydrophobicContact CZ-CG 4.14Å; R404-F408 WeakPolarHBondContact O-CB 3.23Å; R404-F408 PolarHBondContact O-N 3.21Å; Q405-F408 PolarHBondContact O-N 3.34Å; F408-H410 VanDerWaalsContact C-N 3.27Å; F408-H410 PolarHBondContact O-N 3.4Å; F408-N411 PolarHBondContact O-N 2.96Å; F408-E412 HydrophobicContact CE1-CB 4.38Å; F408-E412 WeakPolarHBondContact CE1-OE1 3.42Å; F408-E412 WeakPolarHBondContact O-CB 3.48Å; F408-E412 PolarHBondContact O-N 3.09Å
409	N	97.7	Very high	96.2	Very high	73 Å²	73	61.6 Å²	61.6	39%	0.39	30%	0.3	S	S	.	.	H	α-helix	trans	-61.6	-35.7	-179.7	-66.5	-10.2	0	0	0	112	Q405 E406 V407 H413	Q405-N409 PolarHBondContact NE2-OD1 3.27Å; Q405-N409 WeakPolarHBondContact O-CB 3.44Å; Q405-N409 PolarHBondContact O-N 3.27Å; Q405-N409 PolarHBondContact O-ND2 3.04Å; Q405-N409 PolarHBondContact O-OD1 3.49Å; Q405-N409 VanDerWaalsContact O-OD1 3.07Å; E406-N409 PolarHBondContact O-N 2.83Å; V407-N409 PolarHBondContact O-N 2.95Å; N409-H413 PolarHBondContact O-N 2.93Å
410	H	97.1	Very high	96.5	Very high	126 Å²	126	62.1 Å²	62.1	58%	0.583	31%	0.312	S	S	*	.	H	α-helix	trans	-68	-47.5	174.1	179.8	62.5	0	0	0	111.4	E406 V407 F408 E412 H413 E414	E406-H410 PolarHBondContact O-N 3.11Å; E406-H410 VanDerWaalsContact O-N 3.12Å; V407-H410 PolarHBondContact O-N 3.03Å; F408-H410 VanDerWaalsContact C-N 3.27Å; F408-H410 PolarHBondContact O-N 3.4Å; H410-E412 PolarHBondContact O-N 3.15Å; H410-H413 WeakPolarHBondContact O-CB 3.43Å; H410-H413 PolarHBondContact O-N 3.14Å; H410-H413 VanDerWaalsContact O-N 3.12Å; H410-E414 IonicContact CE1-OE1 2.6Å; H410-E414 PolarHBondContact O-N 3.04Å; H410-E414 VanDerWaalsContact O-N 3.09Å
411	N	97.1	Very high	96.7	Very high	5 Å²	5	63.8 Å²	63.8	3%	0.027	32%	0.32	C	S	.	.	H	α-helix	trans	-62.5	-39.7	177.9	-171.4	14.1	0	0	0	112.2	L315 I317 P318 V407 F408 H413 E414 V415	L315-N411 VanDerWaalsContact O-CB 3.27Å; L315-N411 WeakPolarHBondContact O-CB 3.29Å; L315-N411 PolarHBondContact O-ND2 3.37Å; I317-N411 VanDerWaalsContact C-ND2 3.32Å; I317-N411 VanDerWaalsContact C-OD1 3.28Å; I317-N411 PolarHBondContact N-ND2 3.16Å; I317-N411 PolarHBondContact O-ND2 3.43Å; I317-N411 PolarHBondContact O-OD1 3.48Å; P318-N411 WeakPolarHBondContact CA-OD1 3.49Å; P318-N411 WeakPolarHBondContact CD-OD1 3.39Å; P318-N411 WeakPolarHBondContact CG-OD1 3.49Å; P318-N411 VanDerWaalsContact N-OD1 3.1Å; V407-N411 PolarHBondContact O-N 3.01Å; F408-N411 PolarHBondContact O-N 2.96Å; N411-H413 VanDerWaalsContact C-N 3.25Å; N411-H413 PolarHBondContact O-N 3.29Å; N411-E414 CarbonylContact O-C 3.56Å; N411-E414 PolarHBondContact O-N 2.93Å; N411-V415 WeakPolarHBondContact O-CG2 3.36Å; N411-V415 PolarHBondContact O-N 3.36Å
412	E	97.8	Very high	96.8	Very high	76 Å²	76	62.6 Å²	62.6	36%	0.355	31%	0.313	S	S	.	.	H	α-helix	trans	-55.5	-39.7	172.7	-179.9	171.4	-94.4	0	0	112	Y322 F408 H410 S416	Y322-E412 HydrophobicContact CD2-CB 4.37Å; Y322-E412 HydrophobicContact CE2-CB 3.74Å; Y322-E412 HydrophobicContact CE2-CG 3.74Å; F408-E412 HydrophobicContact CE1-CB 4.38Å; F408-E412 WeakPolarHBondContact CE1-OE1 3.42Å; F408-E412 WeakPolarHBondContact O-CB 3.48Å; F408-E412 PolarHBondContact O-N 3.09Å; H410-E412 PolarHBondContact O-N 3.15Å; E412-S416 VanDerWaalsContact O-CB 3.26Å; E412-S416 WeakPolarHBondContact O-CB 3.33Å; E412-S416 PolarHBondContact O-N 2.9Å
413	H	97.3	Very high	96.8	Very high	126 Å²	126	62.6 Å²	62.6	58%	0.583	31%	0.313	S	S	*	.	H	α-helix	trans	-65.9	-43.3	172.9	-114.5	70.6	0	0	0	112.6	N409 H410 N411 S416 K417	N409-H413 PolarHBondContact O-N 2.93Å; H410-H413 WeakPolarHBondContact O-CB 3.43Å; H410-H413 PolarHBondContact O-N 3.14Å; H410-H413 VanDerWaalsContact O-N 3.12Å; N411-H413 VanDerWaalsContact C-N 3.25Å; N411-H413 PolarHBondContact O-N 3.29Å; H413-S416 PolarHBondContact O-N 3.23Å; H413-K417 WeakPolarHBondContact O-CG 3.29Å; H413-K417 PolarHBondContact O-N 2.86Å; H413-K417 VanDerWaalsContact O-N 3.12Å
414	E	96.1	Very high	97	Very high	37 Å²	37	60.6 Å²	60.6	17%	0.173	31%	0.305	C	S	.	.	H	α-helix	trans	-69.3	-30.7	177.8	-65.5	-49.4	124.9	0	0	113.5	P318 H410 N411 K417 R418	P318-E414 HydrophobicContact CG-CB 3.97Å; H410-E414 IonicContact CE1-OE1 2.6Å; H410-E414 PolarHBondContact O-N 3.04Å; H410-E414 VanDerWaalsContact O-N 3.09Å; N411-E414 CarbonylContact O-C 3.56Å; N411-E414 PolarHBondContact O-N 2.93Å; E414-K417 WeakPolarHBondContact OE1-CE 3.26Å; E414-K417 IonicContact OE1-NZ 3.89Å; E414-K417 PolarHBondContact OE1-NZ 2.78Å; E414-K417 IonicContact OE2-NZ 2.66Å; E414-K417 PolarHBondContact OE2-NZ 3.41Å; E414-R418 WeakPolarHBondContact O-CD 3.47Å; E414-R418 WeakPolarHBondContact O-CG 3.49Å; E414-R418 PolarHBondContact O-NH1 2.8Å; E414-R418 IonicContact OE2-CZ 2.68Å; E414-R418 IonicContact OE2-NH1 2.65Å; E414-R418 PolarHBondContact OE2-NH1 3.15Å; E414-R418 IonicContact OE2-NH2 3.61Å
415	V	97.4	Very high	97.1	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.006	30%	0.302	C	S	.	.	H	α-helix	trans	-67.9	-48.6	168.8	169.5	0	0	0	0	110.4	F285 P318 Y322 N411 K417 R418 W419	F285-V415 HydrophobicContact CE2-CG1 3.96Å; F285-V415 HydrophobicContact CE2-CG2 4.23Å; F285-V415 HydrophobicContact CZ-CG1 4.08Å; P318-V415 HydrophobicContact CB-CG2 3.77Å; Y322-V415 HydrophobicContact CD1-CB 4.46Å; Y322-V415 HydrophobicContact CD1-CG1 3.96Å; Y322-V415 HydrophobicContact CD1-CG2 4.1Å; Y322-V415 HydrophobicContact CE1-CB 4.4Å; Y322-V415 HydrophobicContact CE1-CG1 3.71Å; Y322-V415 HydrophobicContact CG-CG2 4.12Å; N411-V415 WeakPolarHBondContact O-CG2 3.36Å; N411-V415 PolarHBondContact O-N 3.36Å; V415-K417 VanDerWaalsContact C-N 3.32Å; V415-K417 PolarHBondContact O-N 2.84Å; V415-R418 CarbonylContact O-C 3.56Å; V415-R418 PolarHBondContact O-N 3.26Å; V415-W419 HydrophobicContact CG1-CE3 4.02Å; V415-W419 PolarHBondContact O-N 3.17Å
416	S	97.8	Very high	97	Very high	89 Å²	89	63.4 Å²	63.4	62%	0.622	32%	0.317	S	S	*	.	H	α-helix	trans	-57.7	-41.4	-177.7	-174.7	0	0	0	0	112.7	E412 H413 R418	E412-S416 VanDerWaalsContact O-CB 3.26Å; E412-S416 WeakPolarHBondContact O-CB 3.33Å; E412-S416 PolarHBondContact O-N 2.9Å; H413-S416 PolarHBondContact O-N 3.23Å; S416-R418 PolarHBondContact O-N 2.81Å; S416-R418 VanDerWaalsContact O-N 3.13Å
417	K	97.3	Very high	97	Very high	99 Å²	99	58 Å²	58	43%	0.43	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-25.9	172.9	-73.1	172.9	-176.3	177.3	0	114.5	H413 E414 V415 F449	H413-K417 WeakPolarHBondContact O-CG 3.29Å; H413-K417 PolarHBondContact O-N 2.86Å; H413-K417 VanDerWaalsContact O-N 3.12Å; E414-K417 WeakPolarHBondContact OE1-CE 3.26Å; E414-K417 IonicContact OE1-NZ 3.89Å; E414-K417 PolarHBondContact OE1-NZ 2.78Å; E414-K417 IonicContact OE2-NZ 2.66Å; E414-K417 PolarHBondContact OE2-NZ 3.41Å; V415-K417 VanDerWaalsContact C-N 3.32Å; V415-K417 PolarHBondContact O-N 2.84Å; K417-F449 HydrophobicContact CB-CZ 4.09Å
418	R	97.3	Very high	96.9	Very high	7 Å²	7	57.2 Å²	57.2	3%	0.026	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-11.9	-166.6	-64	176.1	175.5	85.1	-0.9	114.1	E414 V415 S416 S420 F421 E422 Y446 F449 E450 R458	E414-R418 WeakPolarHBondContact O-CD 3.47Å; E414-R418 WeakPolarHBondContact O-CG 3.49Å; E414-R418 PolarHBondContact O-NH1 2.8Å; E414-R418 IonicContact OE2-CZ 2.68Å; E414-R418 IonicContact OE2-NH1 2.65Å; E414-R418 PolarHBondContact OE2-NH1 3.15Å; E414-R418 IonicContact OE2-NH2 3.61Å; V415-R418 CarbonylContact O-C 3.56Å; V415-R418 PolarHBondContact O-N 3.26Å; S416-R418 PolarHBondContact O-N 2.81Å; S416-R418 VanDerWaalsContact O-N 3.13Å; R418-S420 VanDerWaalsContact C-N 3.32Å; R418-S420 PolarHBondContact O-N 2.79Å; R418-F421 PolarHBondContact O-N 3.25Å; R418-F421 VanDerWaalsContact O-N 3.1Å; R418-E422 PolarHBondContact O-N 2.98Å; R418-Y446 HydrophobicContact CB-CE2 4.35Å; R418-Y446 HydrophobicContact CG-CE2 4.12Å; R418-F449 HydrophobicContact CG-CE1 3.94Å; R418-E450 WeakPolarHBondContact CD-OE1 3.48Å; R418-E450 IonicContact CZ-OE1 2.72Å; R418-E450 IonicContact CZ-OE2 2.73Å; R418-E450 VanDerWaalsContact NE-CD 3.28Å; R418-E450 IonicContact NE-OE1 3.98Å; R418-E450 PolarHBondContact NE-OE1 3.06Å; R418-E450 IonicContact NE-OE2 3.16Å; R418-E450 PolarHBondContact NE-OE2 3.15Å; R418-E450 VanDerWaalsContact NE-OE2 3.14Å; R418-E450 IonicContact NH2-OE1 3.75Å; R418-E450 IonicContact NH2-OE2 3.6Å; R418-E450 PolarHBondContact NH2-OE2 2.75Å; R418-R458 VanDerWaalsContact CD-NH2 3.28Å
419	W	97.6	Very high	96.8	Very high	100 Å²	100	61.8 Å²	61.8	38%	0.379	30%	0.304	S	S	.	.	H	α-helix	trans	-53.3	-45.9	-174.5	-176.3	-83.4	0	0	0	112.9	F285 Q320 V415 F421 E422 E423	F285-W419 AromaticContact CZ-CE3 3.99Å; F285-W419 HydrophobicContact CZ-CE3 3.99Å; F285-W419 HydrophobicContact CZ-CZ3 4.19Å; Q320-W419 HydrophobicContact CG-CH2 4.37Å; Q320-W419 HydrophobicContact CG-CZ3 4.48Å; V415-W419 HydrophobicContact CG1-CE3 4.02Å; V415-W419 PolarHBondContact O-N 3.17Å; W419-F421 PolarHBondContact O-N 2.7Å; W419-E422 PolarHBondContact O-N 3.07Å; W419-E423 PolarHBondContact NE1-OE2 3Å; W419-E423 VanDerWaalsContact O-CB 3.22Å; W419-E423 WeakPolarHBondContact O-CB 3.19Å; W419-E423 PolarHBondContact O-N 3.17Å
420	S	97.6	Very high	96.7	Very high	76 Å²	76	59 Å²	59	53%	0.531	29%	0.289	S	S	.	.	H	α-helix	trans	-58.4	-43.8	178.7	48.7	0	0	0	0	112.8	R418 G424	R418-S420 VanDerWaalsContact C-N 3.32Å; R418-S420 PolarHBondContact O-N 2.79Å; S420-G424 PolarHBondContact O-N 3.4Å
421	F	97.9	Very high	96.6	Very high	37 Å²	37	55.7 Å²	55.7	16%	0.162	27%	0.273	C	S	.	.	H	α-helix	trans	-69.7	-45.4	179.1	-60.7	-62.6	0	0	0	112.2	R418 W419 E423 G424 I425 N442 E445 Y446 F449	R418-F421 PolarHBondContact O-N 3.25Å; R418-F421 VanDerWaalsContact O-N 3.1Å; W419-F421 PolarHBondContact O-N 2.7Å; F421-E423 VanDerWaalsContact C-N 3.35Å; F421-G424 PolarHBondContact O-N 2.96Å; F421-I425 WeakPolarHBondContact O-CG1 3.45Å; F421-I425 PolarHBondContact O-N 3.48Å; F421-N442 PolarHBondContact O-ND2 3.26Å; F421-E445 HydrophobicContact CE1-CB 3.99Å; F421-Y446 HydrophobicContact CB-CD1 3.64Å; F421-Y446 HydrophobicContact CB-CD2 3.78Å; F421-Y446 HydrophobicContact CB-CE1 4.11Å; F421-Y446 HydrophobicContact CB-CE2 4.26Å; F421-Y446 HydrophobicContact CB-CG 3.46Å; F421-Y446 VanDerWaalsContact CB-CG 3.46Å; F421-Y446 HydrophobicContact CD1-CG 4.32Å; F421-Y446 AromaticContact CD2-CD2 3.7Å; F421-Y446 HydrophobicContact CD2-CD2 3.7Å; F421-Y446 HydrophobicContact CD2-CE2 4.29Å; F421-Y446 HydrophobicContact CD2-CG 4.14Å; F421-Y446 HydrophobicContact CE2-CD2 4.44Å; F421-Y446 HydrophobicContact CG-CD1 4.43Å; F421-Y446 AromaticContact CG-CD2 3.82Å; F421-Y446 HydrophobicContact CG-CD2 3.82Å; F421-Y446 AromaticContact CG-CG 3.75Å; F421-Y446 HydrophobicContact CG-CG 3.75Å; F421-F449 HydrophobicContact CE2-CB 4.04Å; F421-F449 HydrophobicContact CE2-CD1 4.1Å; F421-F449 HydrophobicContact CE2-CD2 4.39Å; F421-F449 AromaticContact CE2-CG 3.89Å; F421-F449 HydrophobicContact CE2-CG 3.89Å; F421-F449 HydrophobicContact CZ-CB 4.16Å; F421-F449 HydrophobicContact CZ-CG 4.43Å
422	E	97.7	Very high	96.4	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.009	29%	0.285	C	S	.	.	H	α-helix	trans	-67.9	-33.6	178.3	-70	-74.7	171.6	0	0	112.1	F285 R286 R418 W419 Y446 R465	F285-E422 HydrophobicContact CB-CG 3.99Å; F285-E422 WeakPolarHBondContact CB-OE1 3.39Å; F285-E422 WeakPolarHBondContact CB-OE2 3.42Å; F285-E422 HydrophobicContact CD1-CB 3.55Å; F285-E422 HydrophobicContact CD1-CG 3.6Å; F285-E422 HydrophobicContact CD2-CG 3.98Å; F285-E422 HydrophobicContact CE1-CB 3.64Å; F285-E422 HydrophobicContact CE1-CG 4.01Å; F285-E422 HydrophobicContact CE2-CG 4.35Å; F285-E422 HydrophobicContact CG-CB 4.1Å; F285-E422 HydrophobicContact CG-CG 3.58Å; F285-E422 HydrophobicContact CZ-CB 4.25Å; F285-E422 HydrophobicContact CZ-CG 4.37Å; R286-E422 PolarHBondContact NH2-O 2.69Å; R418-E422 PolarHBondContact O-N 2.98Å; W419-E422 PolarHBondContact O-N 3.07Å; E422-Y446 HydrophobicContact CG-CE1 4.06Å; E422-Y446 WeakPolarHBondContact OE1-CE1 3.5Å; E422-Y446 VanDerWaalsContact OE1-CZ 3.32Å; E422-Y446 PolarHBondContact OE1-OH 3.49Å; E422-R465 IonicContact OE1-CZ 3.38Å; E422-R465 IonicContact OE1-NH1 3.17Å; E422-R465 PolarHBondContact OE1-NH1 2.76Å; E422-R465 IonicContact OE1-NH2 2.75Å; E422-R465 PolarHBondContact OE1-NH2 3.33Å; E422-R465 IonicContact OE2-CZ 2.71Å; E422-R465 IonicContact OE2-NH1 3.37Å; E422-R465 IonicContact OE2-NH2 3.7Å; E422-R465 PolarHBondContact OE2-NH2 3.24Å
423	E	96.4	Very high	96.2	Very high	105 Å²	105	61 Å²	61	49%	0.491	30%	0.298	S	S	.	.	H	α-helix	trans	-69.6	-35.7	170.6	-174.5	174.8	164.7	0	0	111.4	W419 F421 I425 K426	W419-E423 PolarHBondContact NE1-OE2 3Å; W419-E423 VanDerWaalsContact O-CB 3.22Å; W419-E423 WeakPolarHBondContact O-CB 3.19Å; W419-E423 PolarHBondContact O-N 3.17Å; F421-E423 VanDerWaalsContact C-N 3.35Å; E423-I425 PolarHBondContact O-N 2.99Å; E423-K426 WeakPolarHBondContact O-CD 3.47Å; E423-K426 VanDerWaalsContact O-CE 3.27Å; E423-K426 WeakPolarHBondContact O-CE 3.32Å; E423-K426 PolarHBondContact O-NZ 3.19Å
424	G	96.5	Very high	96	Very high	19 Å²	19	58.8 Å²	58.8	20%	0.196	30%	0.302	C	S	.	.	H	α-helix	trans	-61.4	-27.2	175.3	0	0	0	0	0	114.2	S420 F421 K426	S420-G424 PolarHBondContact O-N 3.4Å; F421-G424 PolarHBondContact O-N 2.96Å; G424-K426 PolarHBondContact O-N 2.91Å
425	I	96.9	Very high	96	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.01	30%	0.297	C	S	.	.			trans	-73.9	91	176.4	-60.6	163.4	0	0	0	110.1	R286 F421 E423 P428 W443 Y446	R286-I425 PolarHBondContact NH2-O 3.25Å; F421-I425 WeakPolarHBondContact O-CG1 3.45Å; F421-I425 PolarHBondContact O-N 3.48Å; E423-I425 PolarHBondContact O-N 2.99Å; I425-P428 HydrophobicContact CG2-CB 3.97Å; I425-W443 HydrophobicContact CB-CZ2 4.49Å; I425-W443 HydrophobicContact CD1-CD2 4.32Å; I425-W443 HydrophobicContact CD1-CE3 4.16Å; I425-W443 HydrophobicContact CD1-CH2 3.56Å; I425-W443 HydrophobicContact CD1-CZ2 3.71Å; I425-W443 HydrophobicContact CD1-CZ3 3.79Å; I425-W443 HydrophobicContact CG1-CD2 4.29Å; I425-W443 HydrophobicContact CG1-CH2 4.26Å; I425-W443 HydrophobicContact CG1-CZ2 3.89Å; I425-W443 HydrophobicContact CG2-CH2 4.46Å; I425-W443 HydrophobicContact CG2-CZ2 3.71Å; I425-Y446 HydrophobicContact CD1-CD1 4.26Å; I425-Y446 HydrophobicContact CD1-CE1 4.28Å
426	K	95.6	Very high	95.9	Very high	132 Å²	132	63.3 Å²	63.3	57%	0.574	32%	0.323	S	S	*	.	S	Bend	trans	-79	-25.8	177.4	-53.2	-50.7	-177.7	-170.8	0	113.1	E423 G424	E423-K426 WeakPolarHBondContact O-CD 3.47Å; E423-K426 VanDerWaalsContact O-CE 3.27Å; E423-K426 WeakPolarHBondContact O-CE 3.32Å; E423-K426 PolarHBondContact O-NZ 3.19Å; G424-K426 PolarHBondContact O-N 2.91Å
427	R	94.9	Very high	95.8	Very high	31 Å²	31	67 Å²	67	12%	0.117	32%	0.324	C	S	.	.			trans	-129.4	96.3	174.2	-164.3	-175.9	77	-160.6	8.9	112.1	Y429 H431 K433 L435	R427-Y429 HydrophobicContact CG-CD1 4.19Å; R427-Y429 HydrophobicContact CG-CD2 4.09Å; R427-Y429 HydrophobicContact CG-CE1 3.89Å; R427-Y429 HydrophobicContact CG-CE2 3.78Å; R427-Y429 HydrophobicContact CG-CG 4.28Å; R427-Y429 PolarHBondContact NE-O 3.36Å; R427-H431 PolarHBondContact NH2-O 2.85Å; R427-K433 PolarHBondContact NH1-O 3.24Å; R427-K433 PolarHBondContact NH2-O 2.91Å; R427-L435 HydrophobicContact CB-CD2 4.15Å; R427-L435 VanDerWaalsContact CZ-CD2 3.46Å
428	P	94.4	Very high	95.7	Very high	44 Å²	44	66.9 Å²	66.9	29%	0.286	33%	0.332	S	S	.	.			trans	-80.6	-13.3	179.5	33	-36.4	0	0	0	113.9	I425	I425-P428 HydrophobicContact CG2-CB 3.97Å
429	Y	94.6	Very high	95.7	Very high	110 Å²	110	67.5 Å²	67.5	43%	0.431	34%	0.335	S	S	.	.	S	Bend	trans	-101.3	157	-178	59	-95.5	0	0	0	112.7	R427 H431	R427-Y429 HydrophobicContact CG-CD1 4.19Å; R427-Y429 HydrophobicContact CG-CD2 4.09Å; R427-Y429 HydrophobicContact CG-CE1 3.89Å; R427-Y429 HydrophobicContact CG-CE2 3.78Å; R427-Y429 HydrophobicContact CG-CG 4.28Å; R427-Y429 PolarHBondContact NE-O 3.36Å; Y429-H431 HydrophobicContact CE2-CB 4.46Å
430	F	95.9	Very high	95.7	Very high	15 Å²	15	63.1 Å²	63.1	7%	0.066	32%	0.318	C	S	.	.			trans	-64.9	133.2	176.2	178.5	-99	0	0	0	112.5	Y207 C210 V432 I468 A471 L472	Y207-F430 AromaticContact CD1-CE1 3.84Å; Y207-F430 HydrophobicContact CD1-CE1 3.84Å; Y207-F430 AromaticContact CD1-CZ 3.96Å; Y207-F430 HydrophobicContact CD1-CZ 3.96Å; Y207-F430 HydrophobicContact CE1-CZ 4.44Å; C210-F430 VanDerWaalsContact SG-CD1 3.56Å; F430-V432 HydrophobicContact CE1-CG2 3.86Å; F430-V432 HydrophobicContact CZ-CG2 3.83Å; F430-I468 WeakPolarHBondContact CA-O 3.42Å; F430-I468 HydrophobicContact CB-CG2 4.44Å; F430-I468 VanDerWaalsContact CB-O 3.24Å; F430-I468 WeakPolarHBondContact CB-O 3.36Å; F430-A471 HydrophobicContact CD2-CB 3.88Å; F430-A471 HydrophobicContact CE2-CB 3.88Å; F430-L472 HydrophobicContact CE2-CD1 4.49Å; F430-L472 HydrophobicContact CE2-CD2 4.24Å; F430-L472 HydrophobicContact CE2-CG 4.04Å; F430-L472 HydrophobicContact CZ-CD2 4.42Å; F430-L472 HydrophobicContact CZ-CG 4.45Å
431	H	93.9	Very high	95.7	Very high	56 Å²	56	62.5 Å²	62.5	26%	0.259	31%	0.309	S	S	.	.			trans	-153.8	136	164.1	-177	5.4	0	0	0	109.4	R427 Y429 K433	R427-H431 PolarHBondContact NH2-O 2.85Å; Y429-H431 HydrophobicContact CE2-CB 4.46Å; H431-K433 WeakPolarHBondContact NE2-CD 3.47Å; H431-K433 PolarHBondContact O-N 2.99Å; H431-K433 VanDerWaalsContact O-N 3.09Å; H431-K433 VanDerWaalsContact O-O 3.09Å
432	V	93.3	Very high	95.7	Very high	45 Å²	45	61.8 Å²	61.8	27%	0.273	31%	0.307	S	S	.	.	S	Bend	trans	-56.7	-22	179.6	-176.5	0	0	0	0	114.5	F177 Y207 F430 A434 L472	F177-V432 HydrophobicContact CB-CB 4.25Å; F177-V432 HydrophobicContact CB-CG1 4.26Å; F177-V432 HydrophobicContact CB-CG2 3.91Å; F177-V432 HydrophobicContact CD1-CG2 4.32Å; F177-V432 HydrophobicContact CD2-CG2 3.51Å; F177-V432 HydrophobicContact CE2-CG2 4.07Å; F177-V432 HydrophobicContact CG-CB 4.2Å; F177-V432 HydrophobicContact CG-CG2 3.65Å; Y207-V432 HydrophobicContact CD1-CG2 4.04Å; Y207-V432 HydrophobicContact CE1-CG2 3.59Å; F430-V432 HydrophobicContact CE1-CG2 3.86Å; F430-V432 HydrophobicContact CZ-CG2 3.83Å; V432-A434 PolarHBondContact O-N 3.48Å; V432-L472 HydrophobicContact CG1-CD1 4.22Å
433	K	93.4	Very high	95.8	Very high	147 Å²	147	61.8 Å²	61.8	64%	0.639	31%	0.307	S	S	*	.	S	Bend	trans	-63.7	129.9	170.5	-73.6	-178.3	-175.1	172.3	0	110.4	R427 H431	R427-K433 PolarHBondContact NH1-O 3.24Å; R427-K433 PolarHBondContact NH2-O 2.91Å; H431-K433 WeakPolarHBondContact NE2-CD 3.47Å; H431-K433 PolarHBondContact O-N 2.99Å; H431-K433 VanDerWaalsContact O-N 3.09Å; H431-K433 VanDerWaalsContact O-O 3.09Å
434	A	94.2	Very high	95.8	Very high	80 Å²	80	59.3 Å²	59.3	66%	0.661	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-51.5	141.2	176.4	0	0	0	0	0	112.4	V432 Y473	V432-A434 PolarHBondContact O-N 3.48Å; A434-Y473 WeakPolarHBondContact CA-OH 2.96Å; A434-Y473 WeakPolarHBondContact CB-OH 3.45Å
435	L	95.2	Very high	95.9	Very high	13 Å²	13	63.3 Å²	63.3	7%	0.068	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-76.3	152	164.9	-69.7	172.5	0	0	0	110.3	R427 L440 C470 Y473	R427-L435 HydrophobicContact CB-CD2 4.15Å; R427-L435 VanDerWaalsContact CZ-CD2 3.46Å; L435-L440 HydrophobicContact CB-CD2 3.91Å; L435-L440 HydrophobicContact CB-CG 3.99Å; L435-L440 HydrophobicContact CD1-CD2 3.95Å; L435-C470 WeakPolarHBondContact CD1-SG 3.46Å; L435-Y473 HydrophobicContact CB-CE2 4.37Å; L435-Y473 HydrophobicContact CD1-CE2 4.39Å; L435-Y473 HydrophobicContact CG-CE2 4.48Å; L435-Y473 PolarHBondContact N-OH 3.24Å; L435-Y473 PolarHBondContact O-OH 2.79Å
436	E	95.4	Very high	96	Very high	120 Å²	120	63.2 Å²	63.2	56%	0.561	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-68.9	149.8	173.1	-60.7	167.2	149.8	0	0	111.1	T438 Q439 L440	E436-T438 WeakPolarHBondContact CB-OG1 3.37Å; E436-T438 PolarHBondContact O-N 3.48Å; E436-T438 VanDerWaalsContact O-N 3.17Å; E436-Q439 PolarHBondContact O-N 3.3Å; E436-Q439 PolarHBondContact OE2-NE2 3.44Å; E436-L440 WeakPolarHBondContact O-CG 3.21Å; E436-L440 PolarHBondContact O-N 2.9Å
437	R	95.3	Very high	96.1	Very high	168 Å²	168	57 Å²	57	63%	0.634	28%	0.281	S	S	*	.	H	α-helix	trans	-56.2	-33.9	177.4	179.2	66.7	98.3	-167.9	8	112.5	L440 N441	R437-L440 PolarHBondContact O-N 3.39Å; R437-N441 WeakPolarHBondContact CD-OD1 3.37Å; R437-N441 WeakPolarHBondContact O-CB 3.47Å; R437-N441 VanDerWaalsContact O-CG 3.3Å; R437-N441 PolarHBondContact O-N 2.74Å; R437-N441 PolarHBondContact O-OD1 3.05Å
438	T	96.4	Very high	96.3	Very high	96 Å²	96	58.8 Å²	58.8	59%	0.589	29%	0.293	S	S	*	.	H	α-helix	trans	-57.1	-51.1	173.6	43.5	0	0	0	0	112.2	E436 N441 N442	E436-T438 WeakPolarHBondContact CB-OG1 3.37Å; E436-T438 PolarHBondContact O-N 3.48Å; E436-T438 VanDerWaalsContact O-N 3.17Å; T438-N441 PolarHBondContact O-N 2.94Å; T438-N442 WeakPolarHBondContact O-CB 3.42Å; T438-N442 PolarHBondContact O-N 3.07Å
439	Q	96.6	Very high	96.5	Very high	19 Å²	19	58.7 Å²	58.7	9%	0.089	29%	0.288	C	S	.	.	H	α-helix	trans	-68.2	-36.7	178.9	-65	-179.8	62.8	0	0	111.5	E436 N441 N442 W443	E436-Q439 PolarHBondContact O-N 3.3Å; E436-Q439 PolarHBondContact OE2-NE2 3.44Å; Q439-N441 VanDerWaalsContact C-N 3.32Å; Q439-N441 PolarHBondContact O-N 2.84Å; Q439-N442 PolarHBondContact O-N 3.28Å; Q439-W443 PolarHBondContact O-N 3.04Å
440	L	97.5	Very high	96.6	Very high	8 Å²	8	53.5 Å²	53.5	4%	0.042	27%	0.267	C	S	.	.	H	α-helix	trans	-66.4	-31.1	174.3	-63.6	171.8	0	0	0	113	L435 E436 R437 K444 Y473 F476	L435-L440 HydrophobicContact CB-CD2 3.91Å; L435-L440 HydrophobicContact CB-CG 3.99Å; L435-L440 HydrophobicContact CD1-CD2 3.95Å; E436-L440 WeakPolarHBondContact O-CG 3.21Å; E436-L440 PolarHBondContact O-N 2.9Å; R437-L440 PolarHBondContact O-N 3.39Å; L440-K444 WeakPolarHBondContact O-CD 3.18Å; L440-K444 VanDerWaalsContact O-CG 3.3Å; L440-K444 WeakPolarHBondContact O-CG 3.44Å; L440-K444 PolarHBondContact O-N 2.93Å; L440-Y473 HydrophobicContact CD1-CD1 4.11Å; L440-Y473 HydrophobicContact CD1-CE1 3.52Å; L440-Y473 HydrophobicContact CD2-CD1 3.96Å; L440-Y473 HydrophobicContact CD2-CD2 3.95Å; L440-Y473 HydrophobicContact CD2-CE1 3.86Å; L440-Y473 HydrophobicContact CD2-CE2 3.86Å; L440-Y473 HydrophobicContact CD2-CG 4Å; L440-Y473 HydrophobicContact CG-CE1 4.36Å; L440-F476 HydrophobicContact CD2-CE2 3.92Å; L440-F476 HydrophobicContact CD2-CZ 4.3Å
441	N	97.8	Very high	96.6	Very high	63 Å²	63	55.7 Å²	55.7	34%	0.337	28%	0.279	S	S	.	.	H	α-helix	trans	-74.5	-48.1	173.8	-77.7	16.8	0	0	0	110.9	R437 T438 Q439 W443 K444 E445	R437-N441 WeakPolarHBondContact CD-OD1 3.37Å; R437-N441 WeakPolarHBondContact O-CB 3.47Å; R437-N441 VanDerWaalsContact O-CG 3.3Å; R437-N441 PolarHBondContact O-N 2.74Å; R437-N441 PolarHBondContact O-OD1 3.05Å; T438-N441 PolarHBondContact O-N 2.94Å; Q439-N441 VanDerWaalsContact C-N 3.32Å; Q439-N441 PolarHBondContact O-N 2.84Å; N441-W443 VanDerWaalsContact C-N 3.28Å; N441-W443 PolarHBondContact O-N 3.15Å; N441-K444 WeakPolarHBondContact O-CA 3.41Å; N441-K444 WeakPolarHBondContact O-CB 3.27Å; N441-K444 PolarHBondContact O-N 3.31Å; N441-E445 WeakPolarHBondContact O-CG 3.24Å; N441-E445 PolarHBondContact O-N 2.88Å
442	N	98.4	Very high	96.7	Very high	22 Å²	22	60.5 Å²	60.5	12%	0.118	30%	0.302	C	S	.	.	H	α-helix	trans	-52.8	-43.7	175.4	-176.7	94.7	0	0	0	112.4	F421 T438 Q439 K444 Y446	F421-N442 PolarHBondContact O-ND2 3.26Å; T438-N442 WeakPolarHBondContact O-CB 3.42Å; T438-N442 PolarHBondContact O-N 3.07Å; Q439-N442 PolarHBondContact O-N 3.28Å; N442-K444 VanDerWaalsContact C-N 3.34Å; N442-K444 PolarHBondContact O-N 2.86Å; N442-Y446 VanDerWaalsContact O-CB 3.25Å; N442-Y446 WeakPolarHBondContact O-CB 3.3Å; N442-Y446 PolarHBondContact O-N 3.33Å
443	W	98.4	Very high	96.7	Very high	3 Å²	3	63.3 Å²	63.3	1%	0.011	32%	0.316	C	S	.	.	H	α-helix	trans	-63.3	-35.4	174.1	-84.2	119.5	0	0	0	113.5	I425 Q439 N441 L447 L462 R465 C466 A469 F476	I425-W443 HydrophobicContact CB-CZ2 4.49Å; I425-W443 HydrophobicContact CD1-CD2 4.32Å; I425-W443 HydrophobicContact CD1-CE3 4.16Å; I425-W443 HydrophobicContact CD1-CH2 3.56Å; I425-W443 HydrophobicContact CD1-CZ2 3.71Å; I425-W443 HydrophobicContact CD1-CZ3 3.79Å; I425-W443 HydrophobicContact CG1-CD2 4.29Å; I425-W443 HydrophobicContact CG1-CH2 4.26Å; I425-W443 HydrophobicContact CG1-CZ2 3.89Å; I425-W443 HydrophobicContact CG2-CH2 4.46Å; I425-W443 HydrophobicContact CG2-CZ2 3.71Å; Q439-W443 PolarHBondContact O-N 3.04Å; N441-W443 VanDerWaalsContact C-N 3.28Å; N441-W443 PolarHBondContact O-N 3.15Å; W443-L447 WeakPolarHBondContact O-CB 3.36Å; W443-L447 WeakPolarHBondContact O-CD1 3.41Å; W443-L447 WeakPolarHBondContact O-CG 3.24Å; W443-L447 PolarHBondContact O-N 3.12Å; W443-L447 VanDerWaalsContact O-N 3.14Å; W443-L462 HydrophobicContact CZ3-CD1 3.77Å; W443-R465 HydrophobicContact CH2-CB 4.33Å; W443-C466 HydrophobicContact CD2-CB 4.12Å; W443-C466 HydrophobicContact CE3-CB 3.51Å; W443-C466 VanDerWaalsContact CE3-SG 3.55Å; W443-C466 HydrophobicContact CH2-CB 4.24Å; W443-C466 VanDerWaalsContact CZ3-CA 3.47Å; W443-C466 HydrophobicContact CZ3-CB 3.58Å; W443-A469 HydrophobicContact CZ2-CB 3.83Å; W443-F476 HydrophobicContact CB-CE1 3.73Å; W443-F476 HydrophobicContact CB-CZ 3.97Å
444	K	98.3	Very high	96.5	Very high	53 Å²	53	57.5 Å²	57.5	23%	0.23	30%	0.297	C	S	.	.	H	α-helix	trans	-71.4	-49.9	178.2	-71.5	167.7	-172	178.7	0	110.9	L440 N441 N442 Y446 L447 D448 E475 F476 K479	L440-K444 WeakPolarHBondContact O-CD 3.18Å; L440-K444 VanDerWaalsContact O-CG 3.3Å; L440-K444 WeakPolarHBondContact O-CG 3.44Å; L440-K444 PolarHBondContact O-N 2.93Å; N441-K444 WeakPolarHBondContact O-CA 3.41Å; N441-K444 WeakPolarHBondContact O-CB 3.27Å; N441-K444 PolarHBondContact O-N 3.31Å; N442-K444 VanDerWaalsContact C-N 3.34Å; N442-K444 PolarHBondContact O-N 2.86Å; K444-Y446 VanDerWaalsContact C-N 3.33Å; K444-Y446 PolarHBondContact O-N 3.47Å; K444-L447 WeakPolarHBondContact O-CB 3.14Å; K444-L447 PolarHBondContact O-N 3.01Å; K444-L447 VanDerWaalsContact O-N 3.15Å; K444-D448 PolarHBondContact O-N 3.17Å; K444-E475 WeakPolarHBondContact CE-OE1 3.25Å; K444-E475 IonicContact NZ-OE1 3.7Å; K444-E475 PolarHBondContact NZ-OE1 3.25Å; K444-F476 HydrophobicContact CD-CZ 4.31Å; K444-F476 HydrophobicContact CG-CE1 3.57Å; K444-F476 HydrophobicContact CG-CZ 3.78Å; K444-K479 PolarHBondContact O-NZ 2.91Å
445	E	98.4	Very high	96.3	Very high	103 Å²	103	57.3 Å²	57.3	48%	0.481	29%	0.288	S	S	.	.	H	α-helix	trans	-59.9	-41.2	179.3	-68.3	158.7	-151.5	0	0	111.5	F421 N441 D448 F449	F421-E445 HydrophobicContact CE1-CB 3.99Å; N441-E445 WeakPolarHBondContact O-CG 3.24Å; N441-E445 PolarHBondContact O-N 2.88Å; E445-D448 PolarHBondContact O-N 2.96Å; E445-F449 WeakPolarHBondContact O-CB 3.22Å; E445-F449 PolarHBondContact O-N 3.38Å
446	Y	98.4	Very high	96	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-67.6	-39.8	174.5	-170.7	-165.7	0	0	0	112.6	R418 F421 E422 I425 N442 K444 F449 E450 R458 L462	R418-Y446 HydrophobicContact CB-CE2 4.35Å; R418-Y446 HydrophobicContact CG-CE2 4.12Å; F421-Y446 HydrophobicContact CB-CD1 3.64Å; F421-Y446 HydrophobicContact CB-CD2 3.78Å; F421-Y446 HydrophobicContact CB-CE1 4.11Å; F421-Y446 HydrophobicContact CB-CE2 4.26Å; F421-Y446 HydrophobicContact CB-CG 3.46Å; F421-Y446 VanDerWaalsContact CB-CG 3.46Å; F421-Y446 HydrophobicContact CD1-CG 4.32Å; F421-Y446 AromaticContact CD2-CD2 3.7Å; F421-Y446 HydrophobicContact CD2-CD2 3.7Å; F421-Y446 HydrophobicContact CD2-CE2 4.29Å; F421-Y446 HydrophobicContact CD2-CG 4.14Å; F421-Y446 HydrophobicContact CE2-CD2 4.44Å; F421-Y446 HydrophobicContact CG-CD1 4.43Å; F421-Y446 AromaticContact CG-CD2 3.82Å; F421-Y446 HydrophobicContact CG-CD2 3.82Å; F421-Y446 AromaticContact CG-CG 3.75Å; F421-Y446 HydrophobicContact CG-CG 3.75Å; E422-Y446 HydrophobicContact CG-CE1 4.06Å; E422-Y446 WeakPolarHBondContact OE1-CE1 3.5Å; E422-Y446 VanDerWaalsContact OE1-CZ 3.32Å; E422-Y446 PolarHBondContact OE1-OH 3.49Å; I425-Y446 HydrophobicContact CD1-CD1 4.26Å; I425-Y446 HydrophobicContact CD1-CE1 4.28Å; N442-Y446 VanDerWaalsContact O-CB 3.25Å; N442-Y446 WeakPolarHBondContact O-CB 3.3Å; N442-Y446 PolarHBondContact O-N 3.33Å; K444-Y446 VanDerWaalsContact C-N 3.33Å; K444-Y446 PolarHBondContact O-N 3.47Å; Y446-F449 HydrophobicContact CD2-CD1 4.28Å; Y446-F449 HydrophobicContact CE2-CD1 4.5Å; Y446-F449 PolarHBondContact O-N 2.82Å; Y446-E450 HydrophobicContact CD2-CG 4.01Å; Y446-E450 HydrophobicContact CE2-CG 3.78Å; Y446-E450 WeakPolarHBondContact CE2-OE1 3.42Å; Y446-E450 PolarHBondContact O-N 3.32Å; Y446-R458 PolarHBondContact OH-NH2 3.24Å; Y446-L462 HydrophobicContact CD1-CD1 3.77Å; Y446-L462 HydrophobicContact CD1-CD2 3.74Å; Y446-L462 HydrophobicContact CD1-CG 4.4Å; Y446-L462 HydrophobicContact CD2-CD2 3.74Å; Y446-L462 HydrophobicContact CE1-CD1 3.45Å; Y446-L462 VanDerWaalsContact CE1-CD1 3.45Å; Y446-L462 HydrophobicContact CE1-CD2 3.93Å; Y446-L462 HydrophobicContact CE1-CG 4.38Å; Y446-L462 HydrophobicContact CE2-CD2 3.89Å; Y446-L462 HydrophobicContact CG-CD2 3.64Å
447	L	98.4	Very high	95.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.1	-41.4	173.9	-77.6	167.8	0	0	0	111.9	W443 K444 I451 L462 F463 C466 F476	W443-L447 WeakPolarHBondContact O-CB 3.36Å; W443-L447 WeakPolarHBondContact O-CD1 3.41Å; W443-L447 WeakPolarHBondContact O-CG 3.24Å; W443-L447 PolarHBondContact O-N 3.12Å; W443-L447 VanDerWaalsContact O-N 3.14Å; K444-L447 WeakPolarHBondContact O-CB 3.14Å; K444-L447 PolarHBondContact O-N 3.01Å; K444-L447 VanDerWaalsContact O-N 3.15Å; L447-I451 WeakPolarHBondContact O-CB 3.42Å; L447-I451 VanDerWaalsContact O-CD1 3.25Å; L447-I451 WeakPolarHBondContact O-CD1 3.21Å; L447-I451 WeakPolarHBondContact O-CG1 3.3Å; L447-I451 PolarHBondContact O-N 3.31Å; L447-L462 HydrophobicContact CD2-CB 4.15Å; L447-L462 HydrophobicContact CD2-CD2 3.84Å; L447-L462 HydrophobicContact CD2-CG 3.75Å; L447-L462 HydrophobicContact CG-CD2 4.2Å; L447-L462 HydrophobicContact CG-CG 4.4Å; L447-F463 HydrophobicContact CD1-CD1 3.9Å; L447-F463 HydrophobicContact CD1-CE1 3.75Å; L447-F463 HydrophobicContact CD2-CB 4.45Å; L447-F463 HydrophobicContact CD2-CD1 3.63Å; L447-F463 HydrophobicContact CD2-CD2 4.03Å; L447-F463 HydrophobicContact CD2-CE1 3.83Å; L447-F463 HydrophobicContact CD2-CE2 4.21Å; L447-F463 HydrophobicContact CD2-CG 3.75Å; L447-F463 HydrophobicContact CD2-CZ 4.12Å; L447-F463 HydrophobicContact CG-CD1 4.42Å; L447-F463 HydrophobicContact CG-CE1 4.32Å; L447-C466 HydrophobicContact CD1-CB 4.16Å; L447-F476 HydrophobicContact CD1-CD1 3.79Å; L447-F476 HydrophobicContact CD1-CE1 4.17Å
448	D	98.1	Very high	95.3	Very high	69 Å²	69	48.6 Å²	48.6	37%	0.369	25%	0.254	S	S	.	.	H	α-helix	trans	-63.1	-43.3	174	-71.6	-48.8	0	0	0	111	K444 E445 E450 I451 E452 K479	K444-D448 PolarHBondContact O-N 3.17Å; E445-D448 PolarHBondContact O-N 2.96Å; D448-E450 PolarHBondContact O-N 3.14Å; D448-I451 PolarHBondContact O-N 3.36Å; D448-E452 WeakPolarHBondContact O-CG 3.24Å; D448-E452 PolarHBondContact O-N 2.96Å; D448-K479 VanDerWaalsContact OD1-CE 3.29Å; D448-K479 WeakPolarHBondContact OD1-CE 3.07Å; D448-K479 IonicContact OD1-NZ 2.94Å; D448-K479 PolarHBondContact OD1-NZ 3.38Å; D448-K479 IonicContact OD2-NZ 3.26Å; D448-K479 PolarHBondContact OD2-NZ 2.88Å
449	F	98.1	Very high	95.3	Very high	43 Å²	43	44.1 Å²	44.1	19%	0.189	23%	0.227	C	C	.	.	H	α-helix	trans	-57.5	-48.8	175.5	171.3	-97.2	0	0	0	113.3	K417 R418 F421 E445 Y446 E452 N453	K417-F449 HydrophobicContact CB-CZ 4.09Å; R418-F449 HydrophobicContact CG-CE1 3.94Å; F421-F449 HydrophobicContact CE2-CB 4.04Å; F421-F449 HydrophobicContact CE2-CD1 4.1Å; F421-F449 HydrophobicContact CE2-CD2 4.39Å; F421-F449 AromaticContact CE2-CG 3.89Å; F421-F449 HydrophobicContact CE2-CG 3.89Å; F421-F449 HydrophobicContact CZ-CB 4.16Å; F421-F449 HydrophobicContact CZ-CG 4.43Å; E445-F449 WeakPolarHBondContact O-CB 3.22Å; E445-F449 PolarHBondContact O-N 3.38Å; Y446-F449 HydrophobicContact CD2-CD1 4.28Å; Y446-F449 HydrophobicContact CE2-CD1 4.5Å; Y446-F449 PolarHBondContact O-N 2.82Å; F449-E452 PolarHBondContact O-N 3.25Å; F449-N453 HydrophobicContact CE2-CB 4.13Å; F449-N453 HydrophobicContact CZ-CB 4.23Å; F449-N453 WeakPolarHBondContact O-CB 3.43Å; F449-N453 PolarHBondContact O-N 3.38Å; F449-N453 PolarHBondContact O-ND2 2.91Å
450	E	96.7	Very high	95.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-71.5	-30.7	177.8	-60.9	-80.5	-154.9	0	0	112	R418 Y446 D448 E452 G454 R458 V459 L462	R418-E450 WeakPolarHBondContact CD-OE1 3.48Å; R418-E450 IonicContact CZ-OE1 2.72Å; R418-E450 IonicContact CZ-OE2 2.73Å; R418-E450 VanDerWaalsContact NE-CD 3.28Å; R418-E450 IonicContact NE-OE1 3.98Å; R418-E450 PolarHBondContact NE-OE1 3.06Å; R418-E450 IonicContact NE-OE2 3.16Å; R418-E450 PolarHBondContact NE-OE2 3.15Å; R418-E450 VanDerWaalsContact NE-OE2 3.14Å; R418-E450 IonicContact NH2-OE1 3.75Å; R418-E450 IonicContact NH2-OE2 3.6Å; R418-E450 PolarHBondContact NH2-OE2 2.75Å; Y446-E450 HydrophobicContact CD2-CG 4.01Å; Y446-E450 HydrophobicContact CE2-CG 3.78Å; Y446-E450 WeakPolarHBondContact CE2-OE1 3.42Å; Y446-E450 PolarHBondContact O-N 3.32Å; D448-E450 PolarHBondContact O-N 3.14Å; E450-E452 VanDerWaalsContact C-N 3.27Å; E450-E452 PolarHBondContact O-N 3.1Å; E450-G454 WeakPolarHBondContact O-CA 3.46Å; E450-G454 PolarHBondContact O-N 3.43Å; E450-R458 IonicContact OE1-CZ 3.73Å; E450-R458 VanDerWaalsContact OE1-CZ 3.25Å; E450-R458 IonicContact OE1-NE 2.67Å; E450-R458 PolarHBondContact OE1-NE 2.79Å; E450-R458 IonicContact OE1-NH2 2.74Å; E450-R458 PolarHBondContact OE1-NH2 2.67Å; E450-R458 IonicContact OE2-NE 3.99Å; E450-R458 PolarHBondContact OE2-NE 3.14Å; E450-V459 VanDerWaalsContact C-CG2 3.49Å; E450-V459 HydrophobicContact CB-CG2 3.98Å; E450-V459 WeakPolarHBondContact O-CG2 3.37Å; E450-L462 HydrophobicContact CB-CD2 4.26Å; E450-L462 HydrophobicContact CG-CD2 3.6Å
451	I	96	Very high	94.8	Very high	62 Å²	62	44.5 Å²	44.5	32%	0.318	23%	0.231	S	C	.	.	H	α-helix	trans	-63.5	-35.5	173.9	-73.8	163.1	0	0	0	111.2	L447 D448 V459 F463 Y483	L447-I451 WeakPolarHBondContact O-CB 3.42Å; L447-I451 VanDerWaalsContact O-CD1 3.25Å; L447-I451 WeakPolarHBondContact O-CD1 3.21Å; L447-I451 WeakPolarHBondContact O-CG1 3.3Å; L447-I451 PolarHBondContact O-N 3.31Å; D448-I451 PolarHBondContact O-N 3.36Å; I451-V459 HydrophobicContact CG1-CG1 3.71Å; I451-V459 HydrophobicContact CG1-CG2 4.4Å; I451-F463 HydrophobicContact CD1-CE2 4.01Å; I451-F463 HydrophobicContact CD1-CZ 3.91Å; I451-F463 HydrophobicContact CG1-CE2 4.39Å; I451-Y483 HydrophobicContact CD1-CD2 4.43Å; I451-Y483 HydrophobicContact CG1-CD2 4.12Å; I451-Y483 HydrophobicContact CG1-CE2 4.17Å; I451-Y483 HydrophobicContact CG2-CE2 4.5Å
452	E	96.1	Very high	94.7	Very high	157 Å²	157	41.6 Å²	41.6	73%	0.734	22%	0.215	S	C	*	.	H	α-helix	trans	-84.9	-30.2	179.3	-71.7	178.4	179.2	0	0	114	D448 F449 E450	D448-E452 WeakPolarHBondContact O-CG 3.24Å; D448-E452 PolarHBondContact O-N 2.96Å; F449-E452 PolarHBondContact O-N 3.25Å; E450-E452 VanDerWaalsContact C-N 3.27Å; E450-E452 PolarHBondContact O-N 3.1Å
453	N	93.5	Very high	94.7	Very high	104 Å²	104	40.6 Å²	40.6	56%	0.556	21%	0.209	S	C	*	.	H	α-helix	trans	-130.1	-12	-166.4	-57.4	-95.2	0	0	0	115.2	F449	F449-N453 HydrophobicContact CE2-CB 4.13Å; F449-N453 HydrophobicContact CZ-CB 4.23Å; F449-N453 WeakPolarHBondContact O-CB 3.43Å; F449-N453 PolarHBondContact O-N 3.38Å; F449-N453 PolarHBondContact O-ND2 2.91Å
454	G	89.9	Confident	94.5	Very high	25 Å²	25	40.7 Å²	40.7	26%	0.258	21%	0.21	S	C	.	.	S	Bend	trans	-94.4	170	-175.2	0	0	0	0	0	113	E450	E450-G454 WeakPolarHBondContact O-CA 3.46Å; E450-G454 PolarHBondContact O-N 3.43Å
455	T	89.6	Confident	94.4	Very high	75 Å²	75	38.7 Å²	38.7	46%	0.46	20%	0.201	S	C	.	.			trans	-78.3	153.3	168.7	79.8	0	0	0	0	110.1	E457 R458 V459	T455-E457 VanDerWaalsContact C-N 3.27Å; T455-E457 WeakPolarHBondContact CB-OE2 3.43Å; T455-E457 PolarHBondContact O-N 2.9Å; T455-E457 PolarHBondContact OG1-OE2 3.36Å; T455-R458 WeakPolarHBondContact O-CA 3.33Å; T455-R458 WeakPolarHBondContact O-CB 3.41Å; T455-R458 PolarHBondContact O-N 2.78Å; T455-V459 PolarHBondContact O-N 2.83Å
456	P	88.3	Confident	94.4	Very high	23 Å²	23	33.8 Å²	33.8	15%	0.149	18%	0.178	C	C	.	.	H	α-helix	trans	-64.6	-30.9	-173.9	-20	32.7	0	0	0	113.7	V70 R458 V459 V460	V70-P456 HydrophobicContact CB-CB 4.46Å; V70-P456 HydrophobicContact CG2-CB 3.14Å; V70-P456 HydrophobicContact CG2-CG 4.15Å; P456-R458 VanDerWaalsContact C-N 3.3Å; P456-R458 PolarHBondContact O-N 3.03Å; P456-V459 PolarHBondContact O-N 3.39Å; P456-V460 WeakPolarHBondContact O-CG2 3.15Å; P456-V460 PolarHBondContact O-N 2.92Å
457	E	86.8	Confident	94.3	Very high	52 Å²	52	33.8 Å²	33.8	24%	0.243	18%	0.178	C	C	.	.	H	α-helix	trans	-61.5	-43	173	-46.5	59.9	-119.5	0	0	110.3	S69 A73 T455 V459 V460 V461	S69-E457 WeakPolarHBondContact CB-OE1 3.44Å; S69-E457 PolarHBondContact OG-OE1 3.42Å; A73-E457 HydrophobicContact CB-CB 3.91Å; A73-E457 HydrophobicContact CB-CG 3.94Å; T455-E457 VanDerWaalsContact C-N 3.27Å; T455-E457 WeakPolarHBondContact CB-OE2 3.43Å; T455-E457 PolarHBondContact O-N 2.9Å; T455-E457 PolarHBondContact OG1-OE2 3.36Å; E457-V459 VanDerWaalsContact C-N 3.34Å; E457-V460 PolarHBondContact O-N 2.93Å; E457-V461 WeakPolarHBondContact O-CG2 3.1Å; E457-V461 PolarHBondContact O-N 3.35Å
458	R	90.8	Very high	94.1	Very high	44 Å²	44	34.6 Å²	34.6	17%	0.166	18%	0.182	C	C	.	.	H	α-helix	trans	-69	-34.2	-179.5	-172.6	169.9	173.3	76.6	28.7	111.7	R418 Y446 E450 T455 P456 L462	R418-R458 VanDerWaalsContact CD-NH2 3.28Å; Y446-R458 PolarHBondContact OH-NH2 3.24Å; E450-R458 IonicContact OE1-CZ 3.73Å; E450-R458 VanDerWaalsContact OE1-CZ 3.25Å; E450-R458 IonicContact OE1-NE 2.67Å; E450-R458 PolarHBondContact OE1-NE 2.79Å; E450-R458 IonicContact OE1-NH2 2.74Å; E450-R458 PolarHBondContact OE1-NH2 2.67Å; E450-R458 IonicContact OE2-NE 3.99Å; E450-R458 PolarHBondContact OE2-NE 3.14Å; T455-R458 WeakPolarHBondContact O-CA 3.33Å; T455-R458 WeakPolarHBondContact O-CB 3.41Å; T455-R458 PolarHBondContact O-N 2.78Å; P456-R458 VanDerWaalsContact C-N 3.3Å; P456-R458 PolarHBondContact O-N 3.03Å; R458-L462 WeakPolarHBondContact O-CB 3.29Å; R458-L462 PolarHBondContact O-N 3.21Å
459	V	94.4	Very high	94	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.012	17%	0.166	C	C	.	.	H	α-helix	trans	-64.4	-46.8	171.1	177	0	0	0	0	111.3	E450 I451 T455 P456 E457 L462 F463 Y483	E450-V459 VanDerWaalsContact C-CG2 3.49Å; E450-V459 HydrophobicContact CB-CG2 3.98Å; E450-V459 WeakPolarHBondContact O-CG2 3.37Å; I451-V459 HydrophobicContact CG1-CG1 3.71Å; I451-V459 HydrophobicContact CG1-CG2 4.4Å; T455-V459 PolarHBondContact O-N 2.83Å; P456-V459 PolarHBondContact O-N 3.39Å; E457-V459 VanDerWaalsContact C-N 3.34Å; V459-L462 PolarHBondContact O-N 3.11Å; V459-F463 HydrophobicContact CG1-CD2 3.66Å; V459-F463 HydrophobicContact CG1-CE2 3.6Å; V459-F463 WeakPolarHBondContact O-CD2 3.44Å; V459-F463 PolarHBondContact O-N 3.06Å; V459-Y483 HydrophobicContact CB-CE1 4.18Å; V459-Y483 HydrophobicContact CG1-CD1 4.06Å; V459-Y483 HydrophobicContact CG1-CD2 4.22Å; V459-Y483 HydrophobicContact CG1-CE1 3.58Å; V459-Y483 HydrophobicContact CG1-CE2 3.76Å; V459-Y483 HydrophobicContact CG1-CG 4.36Å; V459-Y483 VanDerWaalsContact CG1-CZ 3.42Å
460	V	93.1	Very high	93.9	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.018	16%	0.157	C	C	.	.	H	α-helix	trans	-59	-47.6	175.8	168.8	0	0	0	0	111.2	V70 A73 V74 P456 E457 L462 F463 E464 Y483 L484	V70-V460 HydrophobicContact CG1-CG2 4.39Å; A73-V460 HydrophobicContact CB-CB 4.33Å; A73-V460 HydrophobicContact CB-CG1 4.45Å; A73-V460 HydrophobicContact CB-CG2 4.33Å; V74-V460 HydrophobicContact CG2-CG1 4.26Å; V74-V460 HydrophobicContact CG2-CG2 4.16Å; P456-V460 WeakPolarHBondContact O-CG2 3.15Å; P456-V460 PolarHBondContact O-N 2.92Å; E457-V460 PolarHBondContact O-N 2.93Å; V460-L462 PolarHBondContact O-N 2.93Å; V460-F463 PolarHBondContact O-N 2.82Å; V460-E464 PolarHBondContact O-N 3.31Å; V460-Y483 HydrophobicContact CG2-CE1 4.36Å; V460-L484 HydrophobicContact CG2-CD2 4.23Å
461	V	91.5	Very high	93.9	Very high	32 Å²	32	29.4 Å²	29.4	19%	0.194	16%	0.157	C	C	.	.	H	α-helix	trans	-59.7	-45.7	175.4	169.4	0	0	0	0	111.3	L243 E457 F463 E464 R465	L243-V461 HydrophobicContact CD2-CG1 4.32Å; E457-V461 WeakPolarHBondContact O-CG2 3.1Å; E457-V461 PolarHBondContact O-N 3.35Å; V461-F463 VanDerWaalsContact C-N 3.32Å; V461-F463 PolarHBondContact O-N 3.04Å; V461-E464 PolarHBondContact O-N 3.02Å; V461-R465 HydrophobicContact CG1-CG 4.34Å; V461-R465 WeakPolarHBondContact O-CB 3.44Å; V461-R465 VanDerWaalsContact O-CG 3.28Å; V461-R465 WeakPolarHBondContact O-CG 3.25Å; V461-R465 PolarHBondContact O-N 2.53Å
462	L	96.3	Very high	93.9	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-65.4	-35.1	178.9	-173.1	64.6	0	0	0	112.2	W443 Y446 L447 E450 R458 V459 V460 C466	W443-L462 HydrophobicContact CZ3-CD1 3.77Å; Y446-L462 HydrophobicContact CD1-CD1 3.77Å; Y446-L462 HydrophobicContact CD1-CD2 3.74Å; Y446-L462 HydrophobicContact CD1-CG 4.4Å; Y446-L462 HydrophobicContact CD2-CD2 3.74Å; Y446-L462 HydrophobicContact CE1-CD1 3.45Å; Y446-L462 VanDerWaalsContact CE1-CD1 3.45Å; Y446-L462 HydrophobicContact CE1-CD2 3.93Å; Y446-L462 HydrophobicContact CE1-CG 4.38Å; Y446-L462 HydrophobicContact CE2-CD2 3.89Å; Y446-L462 HydrophobicContact CG-CD2 3.64Å; L447-L462 HydrophobicContact CD2-CB 4.15Å; L447-L462 HydrophobicContact CD2-CD2 3.84Å; L447-L462 HydrophobicContact CD2-CG 3.75Å; L447-L462 HydrophobicContact CG-CD2 4.2Å; L447-L462 HydrophobicContact CG-CG 4.4Å; E450-L462 HydrophobicContact CB-CD2 4.26Å; E450-L462 HydrophobicContact CG-CD2 3.6Å; R458-L462 WeakPolarHBondContact O-CB 3.29Å; R458-L462 PolarHBondContact O-N 3.21Å; V459-L462 PolarHBondContact O-N 3.11Å; V460-L462 PolarHBondContact O-N 2.93Å; L462-C466 WeakPolarHBondContact O-CB 3.43Å; L462-C466 PolarHBondContact O-N 2.79Å
463	F	97.4	Very high	93.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.5	-48.6	173.4	-89.9	-64.1	0	0	0	112.2	L447 I451 V459 V460 V461 R465 C466 L467 K479 Y480 Y483	L447-F463 HydrophobicContact CD1-CD1 3.9Å; L447-F463 HydrophobicContact CD1-CE1 3.75Å; L447-F463 HydrophobicContact CD2-CB 4.45Å; L447-F463 HydrophobicContact CD2-CD1 3.63Å; L447-F463 HydrophobicContact CD2-CD2 4.03Å; L447-F463 HydrophobicContact CD2-CE1 3.83Å; L447-F463 HydrophobicContact CD2-CE2 4.21Å; L447-F463 HydrophobicContact CD2-CG 3.75Å; L447-F463 HydrophobicContact CD2-CZ 4.12Å; L447-F463 HydrophobicContact CG-CD1 4.42Å; L447-F463 HydrophobicContact CG-CE1 4.32Å; I451-F463 HydrophobicContact CD1-CE2 4.01Å; I451-F463 HydrophobicContact CD1-CZ 3.91Å; I451-F463 HydrophobicContact CG1-CE2 4.39Å; V459-F463 HydrophobicContact CG1-CD2 3.66Å; V459-F463 HydrophobicContact CG1-CE2 3.6Å; V459-F463 WeakPolarHBondContact O-CD2 3.44Å; V459-F463 PolarHBondContact O-N 3.06Å; V460-F463 PolarHBondContact O-N 2.82Å; V461-F463 VanDerWaalsContact C-N 3.32Å; V461-F463 PolarHBondContact O-N 3.04Å; F463-R465 PolarHBondContact O-N 3.26Å; F463-C466 WeakPolarHBondContact O-CB 3.5Å; F463-C466 PolarHBondContact O-N 3.25Å; F463-L467 WeakPolarHBondContact O-CB 3.49Å; F463-L467 VanDerWaalsContact O-CG 3.24Å; F463-L467 WeakPolarHBondContact O-CG 3.39Å; F463-L467 PolarHBondContact O-N 3.47Å; F463-K479 HydrophobicContact CE1-CB 4.2Å; F463-K479 HydrophobicContact CE1-CD 4.32Å; F463-K479 HydrophobicContact CE1-CG 4.14Å; F463-K479 HydrophobicContact CZ-CB 4.5Å; F463-K479 HydrophobicContact CZ-CD 4.35Å; F463-K479 HydrophobicContact CZ-CG 4.04Å; F463-Y480 HydrophobicContact CB-CD1 4.2Å; F463-Y480 HydrophobicContact CB-CD2 3.44Å; F463-Y480 VanDerWaalsContact CB-CD2 3.44Å; F463-Y480 HydrophobicContact CB-CE1 4.29Å; F463-Y480 HydrophobicContact CB-CE2 3.58Å; F463-Y480 HydrophobicContact CB-CG 3.76Å; F463-Y480 VanDerWaalsContact CD1-CB 3.49Å; F463-Y480 AromaticContact CD1-CD2 3.92Å; F463-Y480 HydrophobicContact CD1-CD2 3.92Å; F463-Y480 AromaticContact CD1-CG 3.83Å; F463-Y480 HydrophobicContact CD1-CG 3.83Å; F463-Y480 AromaticContact CD2-CD2 3.44Å; F463-Y480 HydrophobicContact CD2-CD2 3.44Å; F463-Y480 VanDerWaalsContact CD2-CD2 3.44Å; F463-Y480 HydrophobicContact CD2-CE2 4.01Å; F463-Y480 HydrophobicContact CD2-CG 4.22Å; F463-Y480 HydrophobicContact CE1-CD2 4.49Å; F463-Y480 HydrophobicContact CE1-CG 4.43Å; F463-Y480 HydrophobicContact CE2-CD2 4.09Å; F463-Y480 AromaticContact CG-CD2 3.34Å; F463-Y480 HydrophobicContact CG-CD2 3.34Å; F463-Y480 AromaticContact CG-CE2 3.96Å; F463-Y480 HydrophobicContact CG-CE2 3.96Å; F463-Y480 AromaticContact CG-CG 3.7Å; F463-Y480 HydrophobicContact CG-CG 3.7Å; F463-Y483 HydrophobicContact CD2-CD1 4.43Å; F463-Y483 HydrophobicContact CE2-CD1 4.1Å; F463-Y483 AromaticContact CE2-CG 3.93Å; F463-Y483 HydrophobicContact CE2-CG 3.93Å
464	E	94.5	Very high	94.1	Very high	5 Å²	5	20 Å²	20	2%	0.023	11%	0.109	C	C	.	.	H	α-helix	trans	-64.5	-39	177.9	-65.4	-71	168.5	0	0	111.7	F77 L243 V460 V461 L467 I468 Y480 K498	F77-E464 HydrophobicContact CD1-CG 4.32Å; F77-E464 HydrophobicContact CE1-CG 3.72Å; F77-E464 HydrophobicContact CE2-CG 4.38Å; F77-E464 HydrophobicContact CZ-CB 4.06Å; F77-E464 HydrophobicContact CZ-CG 3.75Å; L243-E464 HydrophobicContact CD1-CB 3.76Å; L243-E464 HydrophobicContact CD2-CB 4.18Å; V460-E464 PolarHBondContact O-N 3.31Å; V461-E464 PolarHBondContact O-N 3.02Å; E464-L467 PolarHBondContact O-N 2.87Å; E464-I468 PolarHBondContact O-N 2.98Å; E464-I468 VanDerWaalsContact O-N 3.1Å; E464-Y480 HydrophobicContact CG-CE1 4.42Å; E464-Y480 WeakPolarHBondContact OE1-CE1 3.42Å; E464-Y480 PolarHBondContact OE1-OH 2.99Å; E464-K498 IonicContact OE1-NZ 3.14Å; E464-K498 IonicContact OE2-NZ 3.71Å; E464-K498 PolarHBondContact OE2-NZ 3.29Å
465	R	95.9	Very high	94.4	Very high	12 Å²	12	22.1 Å²	22.1	5%	0.045	11%	0.112	C	C	.	.	H	α-helix	trans	-57.6	-48.7	170.3	-70.1	174.6	75.8	-139	9.5	111.7	L243 D284 E422 W443 V461 F463 L467 I468	L243-R465 HydrophobicContact CD2-CG 3.52Å; D284-R465 IonicContact OD1-CZ 2.76Å; D284-R465 IonicContact OD1-NE 2.7Å; D284-R465 PolarHBondContact OD1-NE 3.47Å; D284-R465 IonicContact OD1-NH2 3.79Å; D284-R465 PolarHBondContact OD1-NH2 2.94Å; D284-R465 IonicContact OD2-CZ 3.03Å; D284-R465 IonicContact OD2-NE 2.69Å; D284-R465 PolarHBondContact OD2-NE 3Å; D284-R465 IonicContact OD2-NH2 3.54Å; E422-R465 IonicContact OE1-CZ 3.38Å; E422-R465 IonicContact OE1-NH1 3.17Å; E422-R465 PolarHBondContact OE1-NH1 2.76Å; E422-R465 IonicContact OE1-NH2 2.75Å; E422-R465 PolarHBondContact OE1-NH2 3.33Å; E422-R465 IonicContact OE2-CZ 2.71Å; E422-R465 IonicContact OE2-NH1 3.37Å; E422-R465 IonicContact OE2-NH2 3.7Å; E422-R465 PolarHBondContact OE2-NH2 3.24Å; W443-R465 HydrophobicContact CH2-CB 4.33Å; V461-R465 HydrophobicContact CG1-CG 4.34Å; V461-R465 WeakPolarHBondContact O-CB 3.44Å; V461-R465 VanDerWaalsContact O-CG 3.28Å; V461-R465 WeakPolarHBondContact O-CG 3.25Å; V461-R465 PolarHBondContact O-N 2.53Å; F463-R465 PolarHBondContact O-N 3.26Å; R465-L467 VanDerWaalsContact C-N 3.33Å; R465-L467 PolarHBondContact O-N 3.32Å; R465-I468 PolarHBondContact O-N 3.35Å
466	C	97.8	Very high	94.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60.3	-44.1	178.4	-175.2	0	0	0	0	111.1	W443 L447 L462 F463 I468 A469 C470 F476	W443-C466 HydrophobicContact CD2-CB 4.12Å; W443-C466 HydrophobicContact CE3-CB 3.51Å; W443-C466 VanDerWaalsContact CE3-SG 3.55Å; W443-C466 HydrophobicContact CH2-CB 4.24Å; W443-C466 VanDerWaalsContact CZ3-CA 3.47Å; W443-C466 HydrophobicContact CZ3-CB 3.58Å; L447-C466 HydrophobicContact CD1-CB 4.16Å; L462-C466 WeakPolarHBondContact O-CB 3.43Å; L462-C466 PolarHBondContact O-N 2.79Å; F463-C466 WeakPolarHBondContact O-CB 3.5Å; F463-C466 PolarHBondContact O-N 3.25Å; C466-I468 VanDerWaalsContact C-N 3.29Å; C466-I468 PolarHBondContact O-N 3.16Å; C466-A469 PolarHBondContact O-N 2.91Å; C466-A469 VanDerWaalsContact O-N 3.17Å; C466-C470 WeakPolarHBondContact O-CB 3.34Å; C466-C470 PolarHBondContact O-N 3.19Å; C466-F476 WeakPolarHBondContact SG-CD1 3.46Å
467	L	96.5	Very high	95.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-68.7	-24.4	-178.4	-69.1	174.6	0	0	0	113.2	Y209 F463 E464 R465 A471 F476 W477 Y480	Y209-L467 WeakPolarHBondContact CE2-O 3.43Å; F463-L467 WeakPolarHBondContact O-CB 3.49Å; F463-L467 VanDerWaalsContact O-CG 3.24Å; F463-L467 WeakPolarHBondContact O-CG 3.39Å; F463-L467 PolarHBondContact O-N 3.47Å; E464-L467 PolarHBondContact O-N 2.87Å; R465-L467 VanDerWaalsContact C-N 3.33Å; R465-L467 PolarHBondContact O-N 3.32Å; L467-A471 VanDerWaalsContact O-CA 3.22Å; L467-A471 WeakPolarHBondContact O-CA 3.36Å; L467-A471 VanDerWaalsContact O-CB 3.24Å; L467-A471 WeakPolarHBondContact O-CB 3.45Å; L467-A471 PolarHBondContact O-N 3.29Å; L467-F476 HydrophobicContact CD2-CB 3.69Å; L467-W477 HydrophobicContact CB-CH2 4.39Å; L467-W477 HydrophobicContact CB-CZ2 4.35Å; L467-W477 HydrophobicContact CD1-CD2 4.09Å; L467-W477 HydrophobicContact CD1-CE3 3.71Å; L467-W477 HydrophobicContact CD1-CH2 4.32Å; L467-W477 HydrophobicContact CD1-CZ3 3.85Å; L467-W477 HydrophobicContact CD2-CD2 3.65Å; L467-W477 HydrophobicContact CD2-CE3 4.16Å; L467-W477 HydrophobicContact CD2-CG 3.8Å; L467-W477 HydrophobicContact CD2-CZ2 4.27Å; L467-W477 HydrophobicContact CG-CD2 4.43Å; L467-W477 HydrophobicContact CG-CE3 4.49Å; L467-Y480 HydrophobicContact CD1-CD1 3.38Å; L467-Y480 HydrophobicContact CD1-CE1 3.88Å; L467-Y480 HydrophobicContact CD1-CG 4.25Å
468	I	95.5	Very high	95.8	Very high	17 Å²	17	16.4 Å²	16.4	9%	0.087	8%	0.078	C	C	.	.	H	α-helix	trans	-61.8	-53	167.5	-69.4	166.5	0	0	0	110.5	Y209 I241 L243 F430 E464 R465 C466 C470	Y209-I468 HydrophobicContact CD2-CB 4.39Å; Y209-I468 HydrophobicContact CD2-CG1 4.2Å; Y209-I468 HydrophobicContact CE2-CB 4.47Å; Y209-I468 HydrophobicContact CE2-CG1 4.02Å; I241-I468 HydrophobicContact CG2-CD1 3.72Å; I241-I468 HydrophobicContact CG2-CG1 4.15Å; L243-I468 HydrophobicContact CB-CD1 3.95Å; L243-I468 HydrophobicContact CD1-CD1 3.92Å; F430-I468 WeakPolarHBondContact CA-O 3.42Å; F430-I468 HydrophobicContact CB-CG2 4.44Å; F430-I468 VanDerWaalsContact CB-O 3.24Å; F430-I468 WeakPolarHBondContact CB-O 3.36Å; E464-I468 PolarHBondContact O-N 2.98Å; E464-I468 VanDerWaalsContact O-N 3.1Å; R465-I468 PolarHBondContact O-N 3.35Å; C466-I468 VanDerWaalsContact C-N 3.29Å; C466-I468 PolarHBondContact O-N 3.16Å; I468-C470 PolarHBondContact O-N 3.37Å
469	A	95.6	Very high	96.1	Very high	3 Å²	3	16.5 Å²	16.5	3%	0.025	8%	0.08	C	C	.	.	H	α-helix	trans	-68.4	-34.4	179.4	0	0	0	0	0	113.2	W443 C466	W443-A469 HydrophobicContact CZ2-CB 3.83Å; C466-A469 PolarHBondContact O-N 2.91Å; C466-A469 VanDerWaalsContact O-N 3.17Å
470	C	96.6	Very high	96.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-112.6	18.8	-167	-61.3	0	0	0	0	114.6	L435 C466 I468 L472 Y473 F476	L435-C470 WeakPolarHBondContact CD1-SG 3.46Å; C466-C470 WeakPolarHBondContact O-CB 3.34Å; C466-C470 PolarHBondContact O-N 3.19Å; I468-C470 PolarHBondContact O-N 3.37Å; C470-L472 PolarHBondContact O-N 3.01Å; C470-Y473 HydrophobicContact CB-CD2 4.11Å; C470-Y473 WeakPolarHBondContact O-CB 3.31Å; C470-Y473 WeakPolarHBondContact O-CD2 3.14Å; C470-Y473 PolarHBondContact O-N 2.92Å; C470-F476 HydrophobicContact CB-CD2 3.9Å; C470-F476 HydrophobicContact CB-CE2 4.14Å; C470-F476 HydrophobicContact CB-CG 4.33Å
471	A	96.2	Very high	96.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-26.1	-172.6	0	0	0	0	0	115.6	Y209 F430 L467 Y473 W477 H503	Y209-A471 HydrophobicContact CD2-CB 3.98Å; Y209-A471 HydrophobicContact CE2-CB 4.15Å; F430-A471 HydrophobicContact CD2-CB 3.88Å; F430-A471 HydrophobicContact CE2-CB 3.88Å; L467-A471 VanDerWaalsContact O-CA 3.22Å; L467-A471 WeakPolarHBondContact O-CA 3.36Å; L467-A471 VanDerWaalsContact O-CB 3.24Å; L467-A471 WeakPolarHBondContact O-CB 3.45Å; L467-A471 PolarHBondContact O-N 3.29Å; A471-Y473 VanDerWaalsContact C-N 3.32Å; A471-W477 HydrophobicContact CB-CZ2 4.21Å; A471-W477 PolarHBondContact O-NE1 3.2Å; A471-H503 HydrophobicContact CB-CB 4.42Å
472	L	95.4	Very high	96.6	Very high	59 Å²	59	20.6 Å²	20.6	31%	0.309	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	0.8	179.6	-55.1	-175.6	0	0	0	114.4	F430 V432 C470	F430-L472 HydrophobicContact CE2-CD1 4.49Å; F430-L472 HydrophobicContact CE2-CD2 4.24Å; F430-L472 HydrophobicContact CE2-CG 4.04Å; F430-L472 HydrophobicContact CZ-CD2 4.42Å; F430-L472 HydrophobicContact CZ-CG 4.45Å; V432-L472 HydrophobicContact CG1-CD1 4.22Å; C470-L472 PolarHBondContact O-N 3.01Å
473	Y	96.8	Very high	96.5	Very high	41 Å²	41	22.2 Å²	22.2	16%	0.161	10%	0.101	C	C	.	.			trans	-109.7	100.4	-174.5	-65.5	-85.7	0	0	0	111.3	A434 L435 L440 C470 A471 E475 F476	A434-Y473 WeakPolarHBondContact CA-OH 2.96Å; A434-Y473 WeakPolarHBondContact CB-OH 3.45Å; L435-Y473 HydrophobicContact CB-CE2 4.37Å; L435-Y473 HydrophobicContact CD1-CE2 4.39Å; L435-Y473 HydrophobicContact CG-CE2 4.48Å; L435-Y473 PolarHBondContact N-OH 3.24Å; L435-Y473 PolarHBondContact O-OH 2.79Å; L440-Y473 HydrophobicContact CD1-CD1 4.11Å; L440-Y473 HydrophobicContact CD1-CE1 3.52Å; L440-Y473 HydrophobicContact CD2-CD1 3.96Å; L440-Y473 HydrophobicContact CD2-CD2 3.95Å; L440-Y473 HydrophobicContact CD2-CE1 3.86Å; L440-Y473 HydrophobicContact CD2-CE2 3.86Å; L440-Y473 HydrophobicContact CD2-CG 4Å; L440-Y473 HydrophobicContact CG-CE1 4.36Å; C470-Y473 HydrophobicContact CB-CD2 4.11Å; C470-Y473 WeakPolarHBondContact O-CB 3.31Å; C470-Y473 WeakPolarHBondContact O-CD2 3.14Å; C470-Y473 PolarHBondContact O-N 2.92Å; A471-Y473 VanDerWaalsContact C-N 3.32Å; Y473-E475 PolarHBondContact O-N 3Å; Y473-E475 VanDerWaalsContact O-N 3.11Å; Y473-F476 HydrophobicContact CG-CE2 4.49Å; Y473-F476 PolarHBondContact O-N 3.44Å
474	E	96.8	Very high	96.3	Very high	26 Å²	26	22.2 Å²	22.2	12%	0.121	10%	0.101	C	C	.	.	H	α-helix	trans	-59.6	-25.2	-174.4	68.9	-159.5	114.2	0	0	113.9	F476 W477 I478 L504 K507 I510	E474-F476 VanDerWaalsContact C-N 3.32Å; E474-F476 PolarHBondContact O-N 3.04Å; E474-W477 PolarHBondContact O-N 3.35Å; E474-I478 HydrophobicContact CB-CD1 4.36Å; E474-I478 HydrophobicContact CG-CD1 4.34Å; E474-I478 WeakPolarHBondContact O-CB 3.4Å; E474-I478 WeakPolarHBondContact O-CD1 3.42Å; E474-I478 WeakPolarHBondContact O-CG1 3.29Å; E474-I478 PolarHBondContact O-N 3.05Å; E474-L504 HydrophobicContact CB-CD1 3.76Å; E474-K507 WeakPolarHBondContact OE1-CD 3.37Å; E474-K507 WeakPolarHBondContact OE1-CE 3.21Å; E474-K507 IonicContact OE1-NZ 2.65Å; E474-K507 PolarHBondContact OE1-NZ 3.3Å; E474-I510 HydrophobicContact CB-CB 4.41Å; E474-I510 HydrophobicContact CB-CG2 4.32Å
475	E	97.1	Very high	96.1	Very high	69 Å²	69	25.4 Å²	25.4	32%	0.322	12%	0.116	S	C	.	.	H	α-helix	trans	-58.8	-35.4	176.9	62.8	-129.4	-100.5	0	0	114.4	K444 Y473 K479	K444-E475 WeakPolarHBondContact CE-OE1 3.25Å; K444-E475 IonicContact NZ-OE1 3.7Å; K444-E475 PolarHBondContact NZ-OE1 3.25Å; Y473-E475 PolarHBondContact O-N 3Å; Y473-E475 VanDerWaalsContact O-N 3.11Å; E475-K479 WeakPolarHBondContact O-CB 3.47Å; E475-K479 PolarHBondContact O-N 2.94Å
476	F	98.1	Very high	95.7	Very high	1 Å²	1	27.1 Å²	27.1	0%	0.004	14%	0.138	C	C	.	.	H	α-helix	trans	-78.6	-41.2	-179.3	-65.3	-86.1	0	0	0	111.7	L440 W443 K444 L447 C466 L467 C470 Y473 E474 I478 K479 Y480	L440-F476 HydrophobicContact CD2-CE2 3.92Å; L440-F476 HydrophobicContact CD2-CZ 4.3Å; W443-F476 HydrophobicContact CB-CE1 3.73Å; W443-F476 HydrophobicContact CB-CZ 3.97Å; K444-F476 HydrophobicContact CD-CZ 4.31Å; K444-F476 HydrophobicContact CG-CE1 3.57Å; K444-F476 HydrophobicContact CG-CZ 3.78Å; L447-F476 HydrophobicContact CD1-CD1 3.79Å; L447-F476 HydrophobicContact CD1-CE1 4.17Å; C466-F476 WeakPolarHBondContact SG-CD1 3.46Å; L467-F476 HydrophobicContact CD2-CB 3.69Å; C470-F476 HydrophobicContact CB-CD2 3.9Å; C470-F476 HydrophobicContact CB-CE2 4.14Å; C470-F476 HydrophobicContact CB-CG 4.33Å; Y473-F476 HydrophobicContact CG-CE2 4.49Å; Y473-F476 PolarHBondContact O-N 3.44Å; E474-F476 VanDerWaalsContact C-N 3.32Å; E474-F476 PolarHBondContact O-N 3.04Å; F476-I478 VanDerWaalsContact C-N 3.31Å; F476-I478 PolarHBondContact O-N 3.21Å; F476-K479 PolarHBondContact O-N 3.48Å; F476-Y480 WeakPolarHBondContact O-CB 3.25Å; F476-Y480 PolarHBondContact O-N 3.01Å
477	W	98.2	Very high	95.2	Very high	1 Å²	1	29 Å²	29	0%	0.004	15%	0.146	C	C	.	.	H	α-helix	trans	-60.1	-42.2	172.8	-64	97.7	0	0	0	111.4	L467 A471 E474 Y480 A481 V495 K498 A499 H503 L504 I510	L467-W477 HydrophobicContact CB-CH2 4.39Å; L467-W477 HydrophobicContact CB-CZ2 4.35Å; L467-W477 HydrophobicContact CD1-CD2 4.09Å; L467-W477 HydrophobicContact CD1-CE3 3.71Å; L467-W477 HydrophobicContact CD1-CH2 4.32Å; L467-W477 HydrophobicContact CD1-CZ3 3.85Å; L467-W477 HydrophobicContact CD2-CD2 3.65Å; L467-W477 HydrophobicContact CD2-CE3 4.16Å; L467-W477 HydrophobicContact CD2-CG 3.8Å; L467-W477 HydrophobicContact CD2-CZ2 4.27Å; L467-W477 HydrophobicContact CG-CD2 4.43Å; L467-W477 HydrophobicContact CG-CE3 4.49Å; A471-W477 HydrophobicContact CB-CZ2 4.21Å; A471-W477 PolarHBondContact O-NE1 3.2Å; E474-W477 PolarHBondContact O-N 3.35Å; W477-Y480 PolarHBondContact O-N 3.4Å; W477-A481 WeakPolarHBondContact O-CB 3.35Å; W477-A481 PolarHBondContact O-N 3.38Å; W477-V495 HydrophobicContact CE3-CG1 4.03Å; W477-K498 HydrophobicContact CH2-CD 4.21Å; W477-K498 HydrophobicContact CH2-CG 3.91Å; W477-K498 HydrophobicContact CZ3-CB 4.14Å; W477-K498 HydrophobicContact CZ3-CD 3.95Å; W477-K498 HydrophobicContact CZ3-CG 3.8Å; W477-A499 HydrophobicContact CB-CB 3.95Å; W477-A499 HydrophobicContact CD2-CB 3.49Å; W477-A499 VanDerWaalsContact CD2-CB 3.49Å; W477-A499 HydrophobicContact CE3-CB 3.5Å; W477-A499 VanDerWaalsContact CE3-CB 3.5Å; W477-A499 HydrophobicContact CG-CB 3.72Å; W477-A499 HydrophobicContact CZ3-CB 4.19Å; W477-H503 AromaticContact CH2-CD2 3.36Å; W477-H503 WeakPolarHBondContact CH2-CD2 3.5Å; W477-H503 AromaticContact CH2-NE2 3.69Å; W477-H503 HydrophobicContact CZ2-CB 4.17Å; W477-H503 AromaticContact CZ2-CD2 3.25Å; W477-H503 WeakPolarHBondContact CZ2-CD2 3.47Å; W477-H503 AromaticContact CZ2-CG 3.78Å; W477-H503 AromaticContact CZ2-NE2 3.83Å; W477-L504 VanDerWaalsContact CD1-CD1 3.47Å; W477-L504 HydrophobicContact CG-CD1 4.17Å; W477-I510 HydrophobicContact CB-CD1 3.48Å; W477-I510 VanDerWaalsContact CB-CD1 3.48Å; W477-I510 HydrophobicContact CG-CD1 4.28Å
478	I	97.5	Very high	94.9	Very high	27 Å²	27	30.1 Å²	30.1	14%	0.138	15%	0.153	C	C	.	.	H	α-helix	trans	-66.2	-38.9	175.8	-67.4	163.3	0	0	0	111.3	E474 F476 K482 I510 L513	E474-I478 HydrophobicContact CB-CD1 4.36Å; E474-I478 HydrophobicContact CG-CD1 4.34Å; E474-I478 WeakPolarHBondContact O-CB 3.4Å; E474-I478 WeakPolarHBondContact O-CD1 3.42Å; E474-I478 WeakPolarHBondContact O-CG1 3.29Å; E474-I478 PolarHBondContact O-N 3.05Å; F476-I478 VanDerWaalsContact C-N 3.31Å; F476-I478 PolarHBondContact O-N 3.21Å; I478-K482 HydrophobicContact CG2-CD 4.18Å; I478-K482 WeakPolarHBondContact O-CB 3.44Å; I478-K482 VanDerWaalsContact O-CG 3.28Å; I478-K482 WeakPolarHBondContact O-CG 3.5Å; I478-K482 PolarHBondContact O-N 3.24Å; I478-I510 HydrophobicContact CD1-CB 4.2Å; I478-I510 HydrophobicContact CG1-CB 4.22Å; I478-I510 HydrophobicContact CG1-CD1 4.07Å; I478-I510 HydrophobicContact CG1-CG1 4.05Å; I478-L513 HydrophobicContact CB-CD1 4.48Å; I478-L513 HydrophobicContact CD1-CD1 3.61Å; I478-L513 HydrophobicContact CG1-CD1 3.74Å; I478-L513 HydrophobicContact CG2-CD1 3.87Å
479	K	97.6	Very high	94.7	Very high	47 Å²	47	32 Å²	32	20%	0.204	17%	0.166	C	C	.	.	H	α-helix	trans	-65.9	-42.8	176.2	-167	-178	179	-176.9	0	111.5	K444 D448 F463 E475 F476 Y483	K444-K479 PolarHBondContact O-NZ 2.91Å; D448-K479 VanDerWaalsContact OD1-CE 3.29Å; D448-K479 WeakPolarHBondContact OD1-CE 3.07Å; D448-K479 IonicContact OD1-NZ 2.94Å; D448-K479 PolarHBondContact OD1-NZ 3.38Å; D448-K479 IonicContact OD2-NZ 3.26Å; D448-K479 PolarHBondContact OD2-NZ 2.88Å; F463-K479 HydrophobicContact CE1-CB 4.2Å; F463-K479 HydrophobicContact CE1-CD 4.32Å; F463-K479 HydrophobicContact CE1-CG 4.14Å; F463-K479 HydrophobicContact CZ-CB 4.5Å; F463-K479 HydrophobicContact CZ-CD 4.35Å; F463-K479 HydrophobicContact CZ-CG 4.04Å; E475-K479 WeakPolarHBondContact O-CB 3.47Å; E475-K479 PolarHBondContact O-N 2.94Å; F476-K479 PolarHBondContact O-N 3.48Å; K479-Y483 PolarHBondContact O-N 2.89Å
480	Y	97.5	Very high	94.4	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.016	19%	0.19	C	C	.	.	H	α-helix	trans	-68.1	-46.4	178.9	-175.8	-150.3	0	0	0	112.7	F463 E464 L467 F476 W477 K482 Y483 L484 V495	F463-Y480 HydrophobicContact CB-CD1 4.2Å; F463-Y480 HydrophobicContact CB-CD2 3.44Å; F463-Y480 VanDerWaalsContact CB-CD2 3.44Å; F463-Y480 HydrophobicContact CB-CE1 4.29Å; F463-Y480 HydrophobicContact CB-CE2 3.58Å; F463-Y480 HydrophobicContact CB-CG 3.76Å; F463-Y480 VanDerWaalsContact CD1-CB 3.49Å; F463-Y480 AromaticContact CD1-CD2 3.92Å; F463-Y480 HydrophobicContact CD1-CD2 3.92Å; F463-Y480 AromaticContact CD1-CG 3.83Å; F463-Y480 HydrophobicContact CD1-CG 3.83Å; F463-Y480 AromaticContact CD2-CD2 3.44Å; F463-Y480 HydrophobicContact CD2-CD2 3.44Å; F463-Y480 VanDerWaalsContact CD2-CD2 3.44Å; F463-Y480 HydrophobicContact CD2-CE2 4.01Å; F463-Y480 HydrophobicContact CD2-CG 4.22Å; F463-Y480 HydrophobicContact CE1-CD2 4.49Å; F463-Y480 HydrophobicContact CE1-CG 4.43Å; F463-Y480 HydrophobicContact CE2-CD2 4.09Å; F463-Y480 AromaticContact CG-CD2 3.34Å; F463-Y480 HydrophobicContact CG-CD2 3.34Å; F463-Y480 AromaticContact CG-CE2 3.96Å; F463-Y480 HydrophobicContact CG-CE2 3.96Å; F463-Y480 AromaticContact CG-CG 3.7Å; F463-Y480 HydrophobicContact CG-CG 3.7Å; E464-Y480 HydrophobicContact CG-CE1 4.42Å; E464-Y480 WeakPolarHBondContact OE1-CE1 3.42Å; E464-Y480 PolarHBondContact OE1-OH 2.99Å; L467-Y480 HydrophobicContact CD1-CD1 3.38Å; L467-Y480 HydrophobicContact CD1-CE1 3.88Å; L467-Y480 HydrophobicContact CD1-CG 4.25Å; F476-Y480 WeakPolarHBondContact O-CB 3.25Å; F476-Y480 PolarHBondContact O-N 3.01Å; W477-Y480 PolarHBondContact O-N 3.4Å; Y480-K482 VanDerWaalsContact C-N 3.3Å; Y480-K482 PolarHBondContact O-N 3.07Å; Y480-Y483 WeakPolarHBondContact O-CB 3.36Å; Y480-Y483 PolarHBondContact O-N 2.87Å; Y480-Y483 VanDerWaalsContact O-N 3.11Å; Y480-L484 HydrophobicContact CD2-CD1 4.25Å; Y480-L484 HydrophobicContact CD2-CG 4.06Å; Y480-L484 HydrophobicContact CE1-CD1 4.49Å; Y480-L484 HydrophobicContact CE2-CD1 3.78Å; Y480-L484 HydrophobicContact CE2-CD2 4.1Å; Y480-L484 HydrophobicContact CE2-CG 3.83Å; Y480-L484 PolarHBondContact O-N 3.17Å; Y480-V495 HydrophobicContact CD1-CB 4.17Å; Y480-V495 HydrophobicContact CD1-CG1 3.51Å; Y480-V495 HydrophobicContact CD1-CG2 3.47Å; Y480-V495 VanDerWaalsContact CD1-CG2 3.47Å; Y480-V495 HydrophobicContact CE1-CB 4.42Å; Y480-V495 HydrophobicContact CE1-CG1 4.19Å; Y480-V495 HydrophobicContact CE1-CG2 3.3Å; Y480-V495 HydrophobicContact CG-CG1 4.18Å; Y480-V495 HydrophobicContact CG-CG2 4.28Å
481	A	96.3	Very high	94.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.1	-42.9	177.3	0	0	0	0	0	111.4	W477 Y483 L484 E485 V495 Y496	W477-A481 WeakPolarHBondContact O-CB 3.35Å; W477-A481 PolarHBondContact O-N 3.38Å; A481-Y483 PolarHBondContact O-N 3.25Å; A481-L484 CarbonylContact O-C 3.47Å; A481-L484 PolarHBondContact O-N 3.12Å; A481-E485 WeakPolarHBondContact O-CG 3.46Å; A481-E485 PolarHBondContact O-N 2.92Å; A481-V495 HydrophobicContact CB-CB 4.43Å; A481-V495 HydrophobicContact CB-CG1 3.99Å; A481-Y496 HydrophobicContact CB-CD1 4.27Å; A481-Y496 HydrophobicContact CB-CD2 4.03Å; A481-Y496 HydrophobicContact CB-CE1 3.91Å; A481-Y496 HydrophobicContact CB-CE2 3.66Å; A481-Y496 HydrophobicContact CB-CG 4.32Å
482	K	94.7	Very high	94	Very high	118 Å²	118	36.8 Å²	36.8	51%	0.513	19%	0.191	S	C	.	.	H	α-helix	trans	-66.8	-30.8	174.6	-75.2	178.1	174.3	-172.5	0	114.6	I478 Y480	I478-K482 HydrophobicContact CG2-CD 4.18Å; I478-K482 WeakPolarHBondContact O-CB 3.44Å; I478-K482 VanDerWaalsContact O-CG 3.28Å; I478-K482 WeakPolarHBondContact O-CG 3.5Å; I478-K482 PolarHBondContact O-N 3.24Å; Y480-K482 VanDerWaalsContact C-N 3.3Å; Y480-K482 PolarHBondContact O-N 3.07Å
483	Y	94.8	Very high	94	Very high	36 Å²	36	35.8 Å²	35.8	14%	0.141	18%	0.184	C	C	.	.	H	α-helix	trans	-65.4	-51.2	170.6	177	-98.3	0	0	0	109.5	I451 V459 V460 F463 K479 Y480 A481 E485 G486 F487	I451-Y483 HydrophobicContact CD1-CD2 4.43Å; I451-Y483 HydrophobicContact CG1-CD2 4.12Å; I451-Y483 HydrophobicContact CG1-CE2 4.17Å; I451-Y483 HydrophobicContact CG2-CE2 4.5Å; V459-Y483 HydrophobicContact CB-CE1 4.18Å; V459-Y483 HydrophobicContact CG1-CD1 4.06Å; V459-Y483 HydrophobicContact CG1-CD2 4.22Å; V459-Y483 HydrophobicContact CG1-CE1 3.58Å; V459-Y483 HydrophobicContact CG1-CE2 3.76Å; V459-Y483 HydrophobicContact CG1-CG 4.36Å; V459-Y483 VanDerWaalsContact CG1-CZ 3.42Å; V460-Y483 HydrophobicContact CG2-CE1 4.36Å; F463-Y483 HydrophobicContact CD2-CD1 4.43Å; F463-Y483 HydrophobicContact CE2-CD1 4.1Å; F463-Y483 AromaticContact CE2-CG 3.93Å; F463-Y483 HydrophobicContact CE2-CG 3.93Å; K479-Y483 PolarHBondContact O-N 2.89Å; Y480-Y483 WeakPolarHBondContact O-CB 3.36Å; Y480-Y483 PolarHBondContact O-N 2.87Å; Y480-Y483 VanDerWaalsContact O-N 3.11Å; A481-Y483 PolarHBondContact O-N 3.25Å; Y483-E485 VanDerWaalsContact C-N 3.31Å; Y483-E485 PolarHBondContact O-N 3.32Å; Y483-G486 PolarHBondContact O-N 2.98Å; Y483-F487 HydrophobicContact CD1-CE2 4.37Å; Y483-F487 HydrophobicContact CD2-CE2 4.19Å; Y483-F487 HydrophobicContact CE1-CD2 4.24Å; Y483-F487 AromaticContact CE1-CE2 3.92Å; Y483-F487 HydrophobicContact CE1-CE2 3.92Å; Y483-F487 AromaticContact CE2-CE2 3.72Å; Y483-F487 HydrophobicContact CE2-CE2 3.72Å; Y483-F487 HydrophobicContact CE2-CZ 4.29Å; Y483-F487 HydrophobicContact CG-CE2 4.48Å; Y483-F487 AromaticContact CZ-CE2 3.57Å; Y483-F487 VanDerWaalsContact O-CD2 3.26Å; Y483-F487 WeakPolarHBondContact O-CD2 3.33Å
484	L	92.9	Very high	93.8	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-65.5	-26.9	178.2	-65.6	-174.5	0	0	0	114	V70 V74 V460 Y480 A481 G486 F487 S488 A492 V495	V70-L484 HydrophobicContact CG1-CD2 4.03Å; V74-L484 HydrophobicContact CG2-CD2 3.94Å; V460-L484 HydrophobicContact CG2-CD2 4.23Å; Y480-L484 HydrophobicContact CD2-CD1 4.25Å; Y480-L484 HydrophobicContact CD2-CG 4.06Å; Y480-L484 HydrophobicContact CE1-CD1 4.49Å; Y480-L484 HydrophobicContact CE2-CD1 3.78Å; Y480-L484 HydrophobicContact CE2-CD2 4.1Å; Y480-L484 HydrophobicContact CE2-CG 3.83Å; Y480-L484 PolarHBondContact O-N 3.17Å; A481-L484 CarbonylContact O-C 3.47Å; A481-L484 PolarHBondContact O-N 3.12Å; L484-G486 PolarHBondContact O-N 3.49Å; L484-G486 VanDerWaalsContact O-N 3.09Å; L484-F487 PolarHBondContact O-N 2.9Å; L484-S488 CarbonylContact O-C 3.55Å; L484-S488 PolarHBondContact O-N 3.43Å; L484-A492 HydrophobicContact CB-CB 4.1Å; L484-V495 HydrophobicContact CD1-CG2 3.59Å
485	E	90.4	Very high	93.8	Very high	71 Å²	71	37.1 Å²	37.1	33%	0.332	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-26.3	173.4	-84.8	169.5	-165.2	0	0	113.1	A481 Y483 A492 Y496 F517	A481-E485 WeakPolarHBondContact O-CG 3.46Å; A481-E485 PolarHBondContact O-N 2.92Å; Y483-E485 VanDerWaalsContact C-N 3.31Å; Y483-E485 PolarHBondContact O-N 3.32Å; E485-A492 HydrophobicContact CG-CB 3.96Å; E485-Y496 PolarHBondContact OE1-OH 3.33Å; E485-F517 HydrophobicContact CG-CD2 3.93Å; E485-F517 HydrophobicContact CG-CE2 3.86Å; E485-F517 WeakPolarHBondContact OE1-CD2 3.39Å
486	G	87.4	Confident	93.8	Very high	49 Å²	49	34 Å²	34	51%	0.505	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-7.9	175	0	0	0	0	0	115.7	Y483 L484	Y483-G486 PolarHBondContact O-N 2.98Å; L484-G486 PolarHBondContact O-N 3.49Å; L484-G486 VanDerWaalsContact O-N 3.09Å
487	F	87.8	Confident	93.6	Very high	40 Å²	40	40 Å²	40	18%	0.175	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131	-48.1	-174.1	-57.1	-87.6	0	0	0	113.8	L67 V70 Y483 L484	L67-F487 HydrophobicContact CD2-CD1 3.98Å; V70-F487 HydrophobicContact CB-CB 3.76Å; V70-F487 HydrophobicContact CB-CD1 3.79Å; V70-F487 HydrophobicContact CB-CD2 4.49Å; V70-F487 HydrophobicContact CB-CG 3.79Å; V70-F487 HydrophobicContact CG1-CB 3.5Å; V70-F487 HydrophobicContact CG1-CD1 4.33Å; V70-F487 HydrophobicContact CG1-CD2 4.22Å; V70-F487 HydrophobicContact CG1-CG 3.8Å; V70-F487 HydrophobicContact CG2-CB 4.19Å; V70-F487 HydrophobicContact CG2-CD1 3.41Å; V70-F487 VanDerWaalsContact CG2-CD1 3.41Å; V70-F487 HydrophobicContact CG2-CD2 4.04Å; V70-F487 HydrophobicContact CG2-CE1 3.66Å; V70-F487 HydrophobicContact CG2-CE2 4.27Å; V70-F487 HydrophobicContact CG2-CG 3.62Å; V70-F487 HydrophobicContact CG2-CZ 4.09Å; Y483-F487 HydrophobicContact CD1-CE2 4.37Å; Y483-F487 HydrophobicContact CD2-CE2 4.19Å; Y483-F487 HydrophobicContact CE1-CD2 4.24Å; Y483-F487 AromaticContact CE1-CE2 3.92Å; Y483-F487 HydrophobicContact CE1-CE2 3.92Å; Y483-F487 AromaticContact CE2-CE2 3.72Å; Y483-F487 HydrophobicContact CE2-CE2 3.72Å; Y483-F487 HydrophobicContact CE2-CZ 4.29Å; Y483-F487 HydrophobicContact CG-CE2 4.48Å; Y483-F487 AromaticContact CZ-CE2 3.57Å; Y483-F487 VanDerWaalsContact O-CD2 3.26Å; Y483-F487 WeakPolarHBondContact O-CD2 3.33Å; L484-F487 PolarHBondContact O-N 2.9Å
488	S	88.9	Confident	93.5	Very high	22 Å²	22	41.5 Å²	41.5	15%	0.154	21%	0.209	C	C	.	.			trans	-143.9	113.5	-177.4	-179.2	0	0	0	0	111.8	L484 D490 G491 A492	L484-S488 CarbonylContact O-C 3.55Å; L484-S488 PolarHBondContact O-N 3.43Å; S488-D490 VanDerWaalsContact C-N 3.32Å; S488-D490 PolarHBondContact O-N 3.14Å; S488-G491 PolarHBondContact O-N 3.26Å; S488-G491 PolarHBondContact OG-N 2.91Å; S488-G491 VanDerWaalsContact OG-N 3.16Å; S488-A492 PolarHBondContact O-N 3.22Å
489	T	91.5	Very high	93.4	Very high	58 Å²	58	40.2 Å²	40.2	36%	0.356	20%	0.202	S	C	.	.	H	α-helix	trans	-67.7	-31.6	177.7	62	0	0	0	0	112.5	R493 F517	T489-R493 WeakPolarHBondContact O-CB 3.38Å; T489-R493 PolarHBondContact O-N 2.93Å; T489-F517 WeakPolarHBondContact O-CZ 3.44Å
490	D	90.4	Very high	93.3	Very high	100 Å²	100	38 Å²	38	54%	0.535	19%	0.193	S	C	.	.	H	α-helix	trans	-76.5	-33.1	176.2	-74	-5.2	0	0	0	111.5	S488 R493 H494	S488-D490 VanDerWaalsContact C-N 3.32Å; S488-D490 PolarHBondContact O-N 3.14Å; D490-R493 PolarHBondContact O-N 3.22Å; D490-R493 IonicContact OD1-CZ 3.7Å; D490-R493 IonicContact OD1-NH1 3.78Å; D490-R493 PolarHBondContact OD1-NH1 2.9Å; D490-H494 PolarHBondContact O-N 3.15Å
491	G	89.7	Confident	93.1	Very high	2 Å²	2	41.2 Å²	41.2	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-60.1	-51	166.9	0	0	0	0	0	112.4	S488 R493 H494 V495	S488-G491 PolarHBondContact O-N 3.26Å; S488-G491 PolarHBondContact OG-N 2.91Å; S488-G491 VanDerWaalsContact OG-N 3.16Å; G491-R493 VanDerWaalsContact C-N 3.32Å; G491-R493 PolarHBondContact O-N 3.18Å; G491-H494 WeakPolarHBondContact O-CB 3.43Å; G491-H494 PolarHBondContact O-N 3.13Å; G491-H494 VanDerWaalsContact O-N 3.12Å; G491-V495 WeakPolarHBondContact O-CG2 3.49Å; G491-V495 PolarHBondContact O-N 3.15Å
492	A	94.1	Very high	92.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.1	-42.1	175.9	0	0	0	0	0	112.3	L484 E485 S488 V495 Y496 F517	L484-A492 HydrophobicContact CB-CB 4.1Å; E485-A492 HydrophobicContact CG-CB 3.96Å; S488-A492 PolarHBondContact O-N 3.22Å; A492-V495 PolarHBondContact O-N 2.89Å; A492-Y496 VanDerWaalsContact O-CD2 3.29Å; A492-Y496 WeakPolarHBondContact O-CD2 3.33Å; A492-Y496 PolarHBondContact O-N 2.89Å; A492-F517 HydrophobicContact CB-CE2 3.99Å; A492-F517 HydrophobicContact CB-CZ 4.05Å
493	R	95.1	Very high	92.8	Very high	39 Å²	39	39.1 Å²	39.1	15%	0.147	21%	0.209	C	C	.	.	H	α-helix	trans	-60.2	-44.9	173	-179.8	172.3	-56.1	97.3	17.7	112.5	T489 D490 G491 V495 Y496 K497 F517 E518 K523	T489-R493 WeakPolarHBondContact O-CB 3.38Å; T489-R493 PolarHBondContact O-N 2.93Å; D490-R493 PolarHBondContact O-N 3.22Å; D490-R493 IonicContact OD1-CZ 3.7Å; D490-R493 IonicContact OD1-NH1 3.78Å; D490-R493 PolarHBondContact OD1-NH1 2.9Å; G491-R493 VanDerWaalsContact C-N 3.32Å; G491-R493 PolarHBondContact O-N 3.18Å; R493-V495 VanDerWaalsContact C-N 3.32Å; R493-V495 PolarHBondContact O-N 3.21Å; R493-Y496 PolarHBondContact O-N 3.25Å; R493-K497 WeakPolarHBondContact O-CB 3.26Å; R493-K497 PolarHBondContact O-N 3.36Å; R493-F517 HydrophobicContact CB-CE1 4.05Å; R493-E518 VanDerWaalsContact CD-OE1 3.31Å; R493-E518 WeakPolarHBondContact CD-OE1 3.47Å; R493-E518 VanDerWaalsContact CG-OE1 3.26Å; R493-E518 WeakPolarHBondContact CG-OE1 3.43Å; R493-E518 IonicContact CZ-OE1 3.79Å; R493-E518 IonicContact CZ-OE2 3.7Å; R493-E518 VanDerWaalsContact CZ-OE2 3.26Å; R493-E518 IonicContact NE-OE1 3.98Å; R493-E518 PolarHBondContact NE-OE1 2.68Å; R493-E518 IonicContact NE-OE2 2.74Å; R493-E518 PolarHBondContact NE-OE2 3.46Å; R493-E518 IonicContact NH2-OE1 2.87Å; R493-E518 IonicContact NH2-OE2 3.62Å; R493-E518 PolarHBondContact NH2-OE2 2.96Å; R493-K523 VanDerWaalsContact CZ-NZ 3.29Å
494	H	93.6	Very high	92.7	Very high	92 Å²	92	37.7 Å²	37.7	43%	0.426	20%	0.204	S	C	.	.	H	α-helix	trans	-58.8	-46.3	177.9	-176.6	102.4	0	0	0	110.6	D490 G491 K497 K498	D490-H494 PolarHBondContact O-N 3.15Å; G491-H494 WeakPolarHBondContact O-CB 3.43Å; G491-H494 PolarHBondContact O-N 3.13Å; G491-H494 VanDerWaalsContact O-N 3.12Å; H494-K497 PolarHBondContact O-N 3.42Å; H494-K498 WeakPolarHBondContact O-CB 3.31Å; H494-K498 PolarHBondContact O-N 3.15Å
495	V	95.6	Very high	92.7	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.012	21%	0.21	C	C	.	.	H	α-helix	trans	-60.5	-47.2	177.3	174.2	0	0	0	0	111.7	W477 Y480 A481 L484 G491 A492 R493 K497 K498 A499	W477-V495 HydrophobicContact CE3-CG1 4.03Å; Y480-V495 HydrophobicContact CD1-CB 4.17Å; Y480-V495 HydrophobicContact CD1-CG1 3.51Å; Y480-V495 HydrophobicContact CD1-CG2 3.47Å; Y480-V495 VanDerWaalsContact CD1-CG2 3.47Å; Y480-V495 HydrophobicContact CE1-CB 4.42Å; Y480-V495 HydrophobicContact CE1-CG1 4.19Å; Y480-V495 HydrophobicContact CE1-CG2 3.3Å; Y480-V495 HydrophobicContact CG-CG1 4.18Å; Y480-V495 HydrophobicContact CG-CG2 4.28Å; A481-V495 HydrophobicContact CB-CB 4.43Å; A481-V495 HydrophobicContact CB-CG1 3.99Å; L484-V495 HydrophobicContact CD1-CG2 3.59Å; G491-V495 WeakPolarHBondContact O-CG2 3.49Å; G491-V495 PolarHBondContact O-N 3.15Å; A492-V495 PolarHBondContact O-N 2.89Å; R493-V495 VanDerWaalsContact C-N 3.32Å; R493-V495 PolarHBondContact O-N 3.21Å; V495-K497 PolarHBondContact O-N 2.86Å; V495-K498 PolarHBondContact O-N 3.22Å; V495-A499 WeakPolarHBondContact O-CB 3.21Å; V495-A499 PolarHBondContact O-N 3.01Å
496	Y	97.2	Very high	92.8	Very high	4 Å²	4	39 Å²	39	2%	0.016	21%	0.211	C	C	.	.	H	α-helix	trans	-60.1	-45.7	176	-82.3	-56.9	0	0	0	112.5	A481 E485 A492 R493 A499 C500 I510 L513 W514 F517	A481-Y496 HydrophobicContact CB-CD1 4.27Å; A481-Y496 HydrophobicContact CB-CD2 4.03Å; A481-Y496 HydrophobicContact CB-CE1 3.91Å; A481-Y496 HydrophobicContact CB-CE2 3.66Å; A481-Y496 HydrophobicContact CB-CG 4.32Å; E485-Y496 PolarHBondContact OE1-OH 3.33Å; A492-Y496 VanDerWaalsContact O-CD2 3.29Å; A492-Y496 WeakPolarHBondContact O-CD2 3.33Å; A492-Y496 PolarHBondContact O-N 2.89Å; R493-Y496 PolarHBondContact O-N 3.25Å; Y496-A499 PolarHBondContact O-N 2.87Å; Y496-C500 VanDerWaalsContact O-CB 3.27Å; Y496-C500 WeakPolarHBondContact O-CB 3.24Å; Y496-C500 PolarHBondContact O-N 2.87Å; Y496-C500 PolarHBondContact O-SG 3.37Å; Y496-I510 HydrophobicContact CD1-CG1 4.08Å; Y496-I510 HydrophobicContact CE1-CG1 4.24Å; Y496-L513 HydrophobicContact CE1-CB 4.12Å; Y496-W514 VanDerWaalsContact CB-CD1 3.49Å; Y496-W514 HydrophobicContact CD1-CB 3.77Å; Y496-W514 HydrophobicContact CD1-CG 4.35Å; Y496-W514 HydrophobicContact CD2-CB 4.47Å; Y496-W514 HydrophobicContact CE1-CB 4.43Å; Y496-W514 HydrophobicContact CG-CB 3.81Å; Y496-W514 AromaticContact CG-CD1 3.88Å; Y496-W514 AromaticContact CG-CG 3.92Å; Y496-W514 HydrophobicContact CG-CG 3.92Å; Y496-F517 HydrophobicContact CD2-CB 4.4Å; Y496-F517 HydrophobicContact CD2-CD1 4.12Å; Y496-F517 HydrophobicContact CD2-CG 4.15Å; Y496-F517 HydrophobicContact CE2-CB 3.89Å; Y496-F517 HydrophobicContact CE2-CD1 4.29Å; Y496-F517 HydrophobicContact CE2-CD2 4.16Å; Y496-F517 AromaticContact CE2-CG 3.85Å; Y496-F517 HydrophobicContact CE2-CG 3.85Å
497	K	95.6	Very high	93.1	Very high	127 Å²	127	39.7 Å²	39.7	55%	0.552	20%	0.2	S	C	*	.	H	α-helix	trans	-64	-46	178.5	-172.2	176.5	-178.8	177.9	0	111.8	R493 H494 V495 A499 C500 S501 W514	R493-K497 WeakPolarHBondContact O-CB 3.26Å; R493-K497 PolarHBondContact O-N 3.36Å; H494-K497 PolarHBondContact O-N 3.42Å; V495-K497 PolarHBondContact O-N 2.86Å; K497-A499 VanDerWaalsContact C-N 3.34Å; K497-A499 PolarHBondContact O-N 2.61Å; K497-C500 PolarHBondContact O-N 3.07Å; K497-S501 VanDerWaalsContact O-CB 3.24Å; K497-S501 WeakPolarHBondContact O-CB 3.34Å; K497-S501 PolarHBondContact O-N 3.33Å; K497-S501 PolarHBondContact O-OG 2.87Å; K497-W514 HydrophobicContact CB-CH2 4.16Å; K497-W514 HydrophobicContact CB-CZ2 4.03Å; K497-W514 HydrophobicContact CG-CH2 4.1Å; K497-W514 HydrophobicContact CG-CZ2 4.3Å
498	K	94.1	Very high	93.3	Very high	32 Å²	32	38.7 Å²	38.7	14%	0.139	20%	0.197	C	C	.	.	H	α-helix	trans	-57.5	-45.7	175.8	-174.2	176.6	176.5	-178	0	111.1	Y209 E464 W477 H494 V495 I502 H503	Y209-K498 WeakPolarHBondContact OH-CE 3.41Å; Y209-K498 PolarHBondContact OH-NZ 3.2Å; E464-K498 IonicContact OE1-NZ 3.14Å; E464-K498 IonicContact OE2-NZ 3.71Å; E464-K498 PolarHBondContact OE2-NZ 3.29Å; W477-K498 HydrophobicContact CH2-CD 4.21Å; W477-K498 HydrophobicContact CH2-CG 3.91Å; W477-K498 HydrophobicContact CZ3-CB 4.14Å; W477-K498 HydrophobicContact CZ3-CD 3.95Å; W477-K498 HydrophobicContact CZ3-CG 3.8Å; H494-K498 WeakPolarHBondContact O-CB 3.31Å; H494-K498 PolarHBondContact O-N 3.15Å; V495-K498 PolarHBondContact O-N 3.22Å; K498-I502 WeakPolarHBondContact O-CB 3.39Å; K498-I502 PolarHBondContact O-N 2.81Å; K498-H503 PolarHBondContact O-CD2 3.23Å
499	A	95.9	Very high	93.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.2	C	C	.	.	I	π-helix	trans	-63.7	-53.1	175.5	0	0	0	0	0	112.4	W477 V495 Y496 K497 H503 L504 I510	W477-A499 HydrophobicContact CB-CB 3.95Å; W477-A499 HydrophobicContact CD2-CB 3.49Å; W477-A499 VanDerWaalsContact CD2-CB 3.49Å; W477-A499 HydrophobicContact CE3-CB 3.5Å; W477-A499 VanDerWaalsContact CE3-CB 3.5Å; W477-A499 HydrophobicContact CG-CB 3.72Å; W477-A499 HydrophobicContact CZ3-CB 4.19Å; V495-A499 WeakPolarHBondContact O-CB 3.21Å; V495-A499 PolarHBondContact O-N 3.01Å; Y496-A499 PolarHBondContact O-N 2.87Å; K497-A499 VanDerWaalsContact C-N 3.34Å; K497-A499 PolarHBondContact O-N 2.61Å; A499-H503 PolarHBondContact O-N 3.05Å; A499-L504 HydrophobicContact CB-CD1 4.48Å; A499-L504 WeakPolarHBondContact O-CA 3.22Å; A499-L504 WeakPolarHBondContact O-CB 3.28Å; A499-L504 PolarHBondContact O-N 3.35Å; A499-I510 HydrophobicContact CB-CD1 3.54Å
500	C	95.8	Very high	93.8	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.014	18%	0.183	C	C	.	.	I	π-helix	trans	-77.1	-34.7	-169.1	-63.9	0	0	0	0	113.6	Y496 K497 P505 H511 W514	Y496-C500 VanDerWaalsContact O-CB 3.27Å; Y496-C500 WeakPolarHBondContact O-CB 3.24Å; Y496-C500 PolarHBondContact O-N 2.87Å; Y496-C500 PolarHBondContact O-SG 3.37Å; K497-C500 PolarHBondContact O-N 3.07Å; C500-P505 VanDerWaalsContact O-CA 3.25Å; C500-P505 WeakPolarHBondContact O-CA 3.44Å; C500-H511 PolarHBondContact O-CE1 3.06Å; C500-H511 PolarHBondContact O-NE2 3.44Å; C500-H511 VanDerWaalsContact SG-CD2 3.57Å; C500-W514 HydrophobicContact CB-CE3 3.6Å; C500-W514 HydrophobicContact CB-CZ3 3.72Å
501	S	92.6	Very high	94.1	Very high	71 Å²	71	32.1 Å²	32.1	50%	0.497	16%	0.161	S	C	.	.	I	π-helix	trans	-85.3	-26.9	-177.2	-59.4	0	0	0	0	114.1	K497	K497-S501 VanDerWaalsContact O-CB 3.24Å; K497-S501 WeakPolarHBondContact O-CB 3.34Å; K497-S501 PolarHBondContact O-N 3.33Å; K497-S501 PolarHBondContact O-OG 2.87Å
502	I	91.4	Very high	94.4	Very high	55 Å²	55	32.6 Å²	32.6	28%	0.282	16%	0.164	S	C	.	.	I	π-helix	trans	-110.2	-65.9	-173	-55.2	175.2	0	0	0	110.8	P208 K498	P208-I502 HydrophobicContact CG-CG2 3.67Å; K498-I502 WeakPolarHBondContact O-CB 3.39Å; K498-I502 PolarHBondContact O-N 2.81Å
503	H	93.3	Very high	94.5	Very high	18 Å²	18	35.5 Å²	35.5	8%	0.083	18%	0.179	C	C	.	.	I	π-helix	trans	-89.2	-32.1	-163.7	-56.8	-75.5	0	0	0	113.9	Y209 A471 W477 K498 A499 P505	Y209-H503 AromaticContact CD2-CE1 3.71Å; Y209-H503 AromaticContact CE2-CE1 3.7Å; Y209-H503 AromaticContact CE2-NE2 3.86Å; Y209-H503 AromaticContact CG-CE1 3.97Å; Y209-H503 AromaticContact CZ-CE1 3.95Å; Y209-H503 AromaticContact CZ-NE2 3.8Å; A471-H503 HydrophobicContact CB-CB 4.42Å; W477-H503 AromaticContact CH2-CD2 3.36Å; W477-H503 WeakPolarHBondContact CH2-CD2 3.5Å; W477-H503 AromaticContact CH2-NE2 3.69Å; W477-H503 HydrophobicContact CZ2-CB 4.17Å; W477-H503 AromaticContact CZ2-CD2 3.25Å; W477-H503 WeakPolarHBondContact CZ2-CD2 3.47Å; W477-H503 AromaticContact CZ2-CG 3.78Å; W477-H503 AromaticContact CZ2-NE2 3.83Å; K498-H503 PolarHBondContact O-CD2 3.23Å; A499-H503 PolarHBondContact O-N 3.05Å; H503-P505 VanDerWaalsContact C-CD 3.41Å
504	L	94.3	Very high	94.6	Very high	7 Å²	7	34.9 Å²	34.9	4%	0.037	18%	0.176	C	C	.	.			trans	-129.6	43.1	-170	-55.4	176.5	0	0	0	114	E474 W477 A499 K506 K507 I510 H511	E474-L504 HydrophobicContact CB-CD1 3.76Å; W477-L504 VanDerWaalsContact CD1-CD1 3.47Å; W477-L504 HydrophobicContact CG-CD1 4.17Å; A499-L504 HydrophobicContact CB-CD1 4.48Å; A499-L504 WeakPolarHBondContact O-CA 3.22Å; A499-L504 WeakPolarHBondContact O-CB 3.28Å; A499-L504 PolarHBondContact O-N 3.35Å; L504-K506 PolarHBondContact O-N 3.05Å; L504-K506 VanDerWaalsContact O-N 3.15Å; L504-K507 HydrophobicContact CB-CB 4.07Å; L504-K507 HydrophobicContact CB-CG 3.99Å; L504-K507 HydrophobicContact CD2-CG 4.01Å; L504-K507 HydrophobicContact CG-CG 4.48Å; L504-K507 PolarHBondContact O-N 2.93Å; L504-I510 HydrophobicContact CB-CG2 4.34Å; L504-I510 HydrophobicContact CD1-CD1 4.22Å; L504-I510 HydrophobicContact CD1-CG2 4.25Å; L504-H511 PolarHBondContact O-NE2 3.04Å
505	P	92.6	Very high	94.8	Very high	20 Å²	20	30.6 Å²	30.6	13%	0.13	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-26.9	-175.7	25.7	-34.8	0	0	0	114.1	C500 H503 H511	C500-P505 VanDerWaalsContact O-CA 3.25Å; C500-P505 WeakPolarHBondContact O-CA 3.44Å; H503-P505 VanDerWaalsContact C-CD 3.41Å; P505-H511 PolarHBondContact O-CE1 2.93Å; P505-H511 PolarHBondContact O-NE2 3.09Å
506	K	91.4	Very high	94.8	Very high	79 Å²	79	32 Å²	32	34%	0.343	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	18.2	-178.8	-57.9	-174.1	-175.3	153	0	114.3	E175 L504 P508 T537 I538 M726	E175-K506 WeakPolarHBondContact OE1-CD 3.38Å; E175-K506 WeakPolarHBondContact OE1-CE 3.43Å; E175-K506 IonicContact OE1-NZ 3.3Å; E175-K506 PolarHBondContact OE1-NZ 3.39Å; L504-K506 PolarHBondContact O-N 3.05Å; L504-K506 VanDerWaalsContact O-N 3.15Å; K506-P508 WeakPolarHBondContact O-CD 3.18Å; K506-T537 HydrophobicContact CG-CG2 3.97Å; K506-I538 HydrophobicContact CB-CD1 4.46Å; K506-I538 WeakPolarHBondContact O-CD1 3.45Å; K506-M726 HydrophobicContact CB-CE 3.77Å; K506-M726 HydrophobicContact CD-CE 3.64Å; K506-M726 HydrophobicContact CG-CE 4.34Å
507	K	93.5	Very high	94.8	Very high	63 Å²	63	32 Å²	32	27%	0.274	17%	0.169	S	C	.	.			trans	-103	100.7	176.8	-70.8	-61.1	-157.4	133.7	0	111.3	E474 L504 A509 I510 H511	E474-K507 WeakPolarHBondContact OE1-CD 3.37Å; E474-K507 WeakPolarHBondContact OE1-CE 3.21Å; E474-K507 IonicContact OE1-NZ 2.65Å; E474-K507 PolarHBondContact OE1-NZ 3.3Å; L504-K507 HydrophobicContact CB-CB 4.07Å; L504-K507 HydrophobicContact CB-CG 3.99Å; L504-K507 HydrophobicContact CD2-CG 4.01Å; L504-K507 HydrophobicContact CG-CG 4.48Å; L504-K507 PolarHBondContact O-N 2.93Å; K507-A509 VanDerWaalsContact C-N 3.33Å; K507-A509 PolarHBondContact O-N 2.77Å; K507-I510 HydrophobicContact CB-CG2 3.92Å; K507-I510 WeakPolarHBondContact O-CG2 3.3Å; K507-H511 PolarHBondContact O-CD2 3.37Å
508	P	93.8	Very high	94.8	Very high	20 Å²	20	26 Å²	26	13%	0.13	14%	0.143	C	C	.	.	H	α-helix	trans	-69	-26.9	-170.4	27.2	-35.6	0	0	0	114.1	K506 L512 L534 I538 L541 M543	K506-P508 WeakPolarHBondContact O-CD 3.18Å; P508-L512 VanDerWaalsContact O-CB 3.31Å; P508-L512 WeakPolarHBondContact O-CB 3.43Å; P508-L512 WeakPolarHBondContact O-CD1 3.05Å; P508-L512 WeakPolarHBondContact O-CG 3.41Å; P508-L512 PolarHBondContact O-N 3.19Å; P508-L534 HydrophobicContact CB-CD1 4.43Å; P508-L534 HydrophobicContact CB-CD2 4.35Å; P508-I538 HydrophobicContact CB-CD1 4.31Å; P508-I538 HydrophobicContact CG-CD1 4.48Å; P508-L541 HydrophobicContact CB-CD2 3.52Å; P508-L541 HydrophobicContact CG-CD2 3.72Å; P508-M543 HydrophobicContact CB-CE 4.5Å
509	A	94.2	Very high	94.8	Very high	26 Å²	26	25.5 Å²	25.5	22%	0.215	14%	0.141	C	C	.	.	H	α-helix	trans	-67.2	-44.2	-174.3	0	0	0	0	0	112.5	K507 L512 L513	K507-A509 VanDerWaalsContact C-N 3.33Å; K507-A509 PolarHBondContact O-N 2.77Å; A509-L512 PolarHBondContact O-N 3.44Å; A509-L513 WeakPolarHBondContact O-CG 3.49Å; A509-L513 PolarHBondContact O-N 2.91Å; A509-L513 VanDerWaalsContact O-N 3.13Å
510	I	95.9	Very high	94.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-69.2	-37.7	177.2	-174.9	164.4	0	0	0	112.9	E474 W477 I478 Y496 A499 L504 K507 L512 L513 W514	E474-I510 HydrophobicContact CB-CB 4.41Å; E474-I510 HydrophobicContact CB-CG2 4.32Å; W477-I510 HydrophobicContact CB-CD1 3.48Å; W477-I510 VanDerWaalsContact CB-CD1 3.48Å; W477-I510 HydrophobicContact CG-CD1 4.28Å; I478-I510 HydrophobicContact CD1-CB 4.2Å; I478-I510 HydrophobicContact CG1-CB 4.22Å; I478-I510 HydrophobicContact CG1-CD1 4.07Å; I478-I510 HydrophobicContact CG1-CG1 4.05Å; Y496-I510 HydrophobicContact CD1-CG1 4.08Å; Y496-I510 HydrophobicContact CE1-CG1 4.24Å; A499-I510 HydrophobicContact CB-CD1 3.54Å; L504-I510 HydrophobicContact CB-CG2 4.34Å; L504-I510 HydrophobicContact CD1-CD1 4.22Å; L504-I510 HydrophobicContact CD1-CG2 4.25Å; K507-I510 HydrophobicContact CB-CG2 3.92Å; K507-I510 WeakPolarHBondContact O-CG2 3.3Å; I510-L512 PolarHBondContact O-N 2.98Å; I510-L513 WeakPolarHBondContact O-CB 3.36Å; I510-L513 PolarHBondContact O-N 2.87Å; I510-W514 PolarHBondContact O-N 2.78Å
511	H	97.3	Very high	94.7	Very high	15 Å²	15	36.3 Å²	36.3	7%	0.069	19%	0.191	C	C	.	.	H	α-helix	trans	-65.7	-37.8	174.9	-73.9	-124	0	0	0	111.9	C500 L504 P505 K507 L513 W514 A515 I530 L534	C500-H511 PolarHBondContact O-CE1 3.06Å; C500-H511 PolarHBondContact O-NE2 3.44Å; C500-H511 VanDerWaalsContact SG-CD2 3.57Å; L504-H511 PolarHBondContact O-NE2 3.04Å; P505-H511 PolarHBondContact O-CE1 2.93Å; P505-H511 PolarHBondContact O-NE2 3.09Å; K507-H511 PolarHBondContact O-CD2 3.37Å; H511-L513 VanDerWaalsContact C-N 3.28Å; H511-L513 PolarHBondContact O-N 3Å; H511-W514 PolarHBondContact O-N 3.49Å; H511-A515 WeakPolarHBondContact O-CB 3.5Å; H511-A515 PolarHBondContact O-N 3.3Å; H511-I530 HydrophobicContact CB-CG2 4.45Å; H511-L534 HydrophobicContact CB-CD1 4.03Å; H511-L534 HydrophobicContact CB-CD2 3.71Å; H511-L534 HydrophobicContact CB-CG 4.31Å
512	L	95.5	Very high	94.7	Very high	13 Å²	13	35.1 Å²	35.1	7%	0.068	19%	0.19	C	C	.	.	H	α-helix	trans	-69.6	-23.7	175	-72.1	169.6	0	0	0	113.4	P508 A509 I510 A516 L531 L534 M543 R547	P508-L512 VanDerWaalsContact O-CB 3.31Å; P508-L512 WeakPolarHBondContact O-CB 3.43Å; P508-L512 WeakPolarHBondContact O-CD1 3.05Å; P508-L512 WeakPolarHBondContact O-CG 3.41Å; P508-L512 PolarHBondContact O-N 3.19Å; A509-L512 PolarHBondContact O-N 3.44Å; I510-L512 PolarHBondContact O-N 2.98Å; L512-A516 WeakPolarHBondContact O-CB 3.45Å; L512-A516 PolarHBondContact O-N 3.32Å; L512-L531 HydrophobicContact CD2-CD2 3.63Å; L512-L534 HydrophobicContact CD2-CD2 4.47Å; L512-L534 HydrophobicContact CG-CD2 4.25Å; L512-M543 HydrophobicContact CD1-CE 3.31Å; L512-R547 HydrophobicContact CD2-CB 3.68Å; L512-R547 HydrophobicContact CD2-CG 3.68Å
513	L	96.7	Very high	94.9	Very high	61 Å²	61	36.9 Å²	36.9	32%	0.319	20%	0.195	S	C	.	.	H	α-helix	trans	-77.3	-46.4	169.3	-73.2	167.8	0	0	0	110.7	I478 Y496 A509 I510 H511 A515 A516 F517	I478-L513 HydrophobicContact CB-CD1 4.48Å; I478-L513 HydrophobicContact CD1-CD1 3.61Å; I478-L513 HydrophobicContact CG1-CD1 3.74Å; I478-L513 HydrophobicContact CG2-CD1 3.87Å; Y496-L513 HydrophobicContact CE1-CB 4.12Å; A509-L513 WeakPolarHBondContact O-CG 3.49Å; A509-L513 PolarHBondContact O-N 2.91Å; A509-L513 VanDerWaalsContact O-N 3.13Å; I510-L513 WeakPolarHBondContact O-CB 3.36Å; I510-L513 PolarHBondContact O-N 2.87Å; H511-L513 VanDerWaalsContact C-N 3.28Å; H511-L513 PolarHBondContact O-N 3Å; L513-A515 PolarHBondContact O-N 3.1Å; L513-A516 WeakPolarHBondContact O-CB 3.14Å; L513-A516 PolarHBondContact O-N 2.93Å; L513-F517 PolarHBondContact O-N 3.45Å
514	W	97.4	Very high	95	Very high	26 Å²	26	36.8 Å²	36.8	10%	0.098	20%	0.196	C	C	.	.	H	α-helix	trans	-56.4	-48.2	175.7	-178.4	22	0	0	0	112.1	Y496 K497 C500 I510 H511 A516 F517 E518 I530	Y496-W514 VanDerWaalsContact CB-CD1 3.49Å; Y496-W514 HydrophobicContact CD1-CB 3.77Å; Y496-W514 HydrophobicContact CD1-CG 4.35Å; Y496-W514 HydrophobicContact CD2-CB 4.47Å; Y496-W514 HydrophobicContact CE1-CB 4.43Å; Y496-W514 HydrophobicContact CG-CB 3.81Å; Y496-W514 AromaticContact CG-CD1 3.88Å; Y496-W514 AromaticContact CG-CG 3.92Å; Y496-W514 HydrophobicContact CG-CG 3.92Å; K497-W514 HydrophobicContact CB-CH2 4.16Å; K497-W514 HydrophobicContact CB-CZ2 4.03Å; K497-W514 HydrophobicContact CG-CH2 4.1Å; K497-W514 HydrophobicContact CG-CZ2 4.3Å; C500-W514 HydrophobicContact CB-CE3 3.6Å; C500-W514 HydrophobicContact CB-CZ3 3.72Å; I510-W514 PolarHBondContact O-N 2.78Å; H511-W514 PolarHBondContact O-N 3.49Å; W514-A516 VanDerWaalsContact C-N 3.26Å; W514-A516 PolarHBondContact O-N 2.8Å; W514-F517 WeakPolarHBondContact O-CB 3.38Å; W514-F517 PolarHBondContact O-N 3.17Å; W514-F517 VanDerWaalsContact O-N 3.16Å; W514-E518 PolarHBondContact NE1-OE1 3.45Å; W514-E518 PolarHBondContact O-N 3.35Å; W514-I530 HydrophobicContact CD2-CD1 3.47Å; W514-I530 VanDerWaalsContact CD2-CD1 3.47Å; W514-I530 HydrophobicContact CD2-CG1 3.91Å; W514-I530 HydrophobicContact CD2-CG2 4.24Å; W514-I530 HydrophobicContact CE3-CB 4.47Å; W514-I530 HydrophobicContact CE3-CD1 3.94Å; W514-I530 HydrophobicContact CE3-CG1 3.82Å; W514-I530 HydrophobicContact CE3-CG2 3.77Å; W514-I530 HydrophobicContact CG-CD1 3.82Å; W514-I530 HydrophobicContact CH2-CD1 4.22Å; W514-I530 HydrophobicContact CH2-CG1 3.89Å; W514-I530 HydrophobicContact CZ2-CD1 3.79Å; W514-I530 HydrophobicContact CZ2-CG1 3.97Å; W514-I530 HydrophobicContact CZ3-CD1 4.29Å; W514-I530 HydrophobicContact CZ3-CG1 3.82Å; W514-I530 HydrophobicContact CZ3-CG2 4.26Å
515	A	97	Very high	95	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.008	22%	0.222	C	C	.	.	H	α-helix	trans	-63.2	-30.5	176.4	0	0	0	0	0	113.3	H511 L513 E519 A527 I530 L531	H511-A515 WeakPolarHBondContact O-CB 3.5Å; H511-A515 PolarHBondContact O-N 3.3Å; L513-A515 PolarHBondContact O-N 3.1Å; A515-E519 WeakPolarHBondContact O-CB 3.19Å; A515-E519 PolarHBondContact O-N 3.33Å; A515-E519 VanDerWaalsContact O-N 3.14Å; A515-A527 HydrophobicContact CB-CB 4.45Å; A515-A527 VanDerWaalsContact O-CB 3.3Å; A515-A527 WeakPolarHBondContact O-CB 3.45Å; A515-I530 HydrophobicContact CB-CB 4.25Å; A515-I530 HydrophobicContact CB-CG2 3.99Å; A515-L531 HydrophobicContact CB-CD1 4.16Å; A515-L531 HydrophobicContact CB-CD2 3.73Å; A515-L531 HydrophobicContact CB-CG 3.66Å
516	A	95.6	Very high	95.2	Very high	31 Å²	31	46.7 Å²	46.7	26%	0.256	24%	0.241	S	C	.	.	H	α-helix	trans	-74.4	-38.2	174.2	0	0	0	0	0	112	L512 L513 W514 E519 Q520	L512-A516 WeakPolarHBondContact O-CB 3.45Å; L512-A516 PolarHBondContact O-N 3.32Å; L513-A516 WeakPolarHBondContact O-CB 3.14Å; L513-A516 PolarHBondContact O-N 2.93Å; W514-A516 VanDerWaalsContact C-N 3.26Å; W514-A516 PolarHBondContact O-N 2.8Å; A516-E519 PolarHBondContact O-N 2.85Å; A516-Q520 WeakPolarHBondContact O-CB 3.35Å; A516-Q520 PolarHBondContact O-N 2.68Å
517	F	96.5	Very high	95.4	Very high	6 Å²	6	43 Å²	43	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-60.1	-51	172.2	165.5	-90.4	0	0	0	110.8	E485 T489 A492 R493 Y496 L513 W514 E519 Q520 Q521	E485-F517 HydrophobicContact CG-CD2 3.93Å; E485-F517 HydrophobicContact CG-CE2 3.86Å; E485-F517 WeakPolarHBondContact OE1-CD2 3.39Å; T489-F517 WeakPolarHBondContact O-CZ 3.44Å; A492-F517 HydrophobicContact CB-CE2 3.99Å; A492-F517 HydrophobicContact CB-CZ 4.05Å; R493-F517 HydrophobicContact CB-CE1 4.05Å; Y496-F517 HydrophobicContact CD2-CB 4.4Å; Y496-F517 HydrophobicContact CD2-CD1 4.12Å; Y496-F517 HydrophobicContact CD2-CG 4.15Å; Y496-F517 HydrophobicContact CE2-CB 3.89Å; Y496-F517 HydrophobicContact CE2-CD1 4.29Å; Y496-F517 HydrophobicContact CE2-CD2 4.16Å; Y496-F517 AromaticContact CE2-CG 3.85Å; Y496-F517 HydrophobicContact CE2-CG 3.85Å; L513-F517 PolarHBondContact O-N 3.45Å; W514-F517 WeakPolarHBondContact O-CB 3.38Å; W514-F517 PolarHBondContact O-N 3.17Å; W514-F517 VanDerWaalsContact O-N 3.16Å; F517-E519 VanDerWaalsContact C-N 3.31Å; F517-E519 PolarHBondContact O-N 3.21Å; F517-Q520 WeakPolarHBondContact O-CA 3.22Å; F517-Q520 WeakPolarHBondContact O-CB 3.46Å; F517-Q520 PolarHBondContact O-N 2.92Å; F517-Q520 VanDerWaalsContact O-N 3.08Å; F517-Q521 HydrophobicContact CD1-CG 4.36Å; F517-Q521 HydrophobicContact CD2-CG 4.32Å; F517-Q521 HydrophobicContact CE1-CG 3.91Å; F517-Q521 HydrophobicContact CE2-CG 3.87Å; F517-Q521 HydrophobicContact CZ-CG 3.63Å; F517-Q521 WeakPolarHBondContact O-CG 3.46Å; F517-Q521 PolarHBondContact O-N 2.9Å
518	E	96.4	Very high	95.5	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-63.4	-36.8	178.2	-61	-57.7	173.5	0	0	112.2	R493 W514 Q520 Q521 G522 K523 E526 A527 I530	R493-E518 VanDerWaalsContact CD-OE1 3.31Å; R493-E518 WeakPolarHBondContact CD-OE1 3.47Å; R493-E518 VanDerWaalsContact CG-OE1 3.26Å; R493-E518 WeakPolarHBondContact CG-OE1 3.43Å; R493-E518 IonicContact CZ-OE1 3.79Å; R493-E518 IonicContact CZ-OE2 3.7Å; R493-E518 VanDerWaalsContact CZ-OE2 3.26Å; R493-E518 IonicContact NE-OE1 3.98Å; R493-E518 PolarHBondContact NE-OE1 2.68Å; R493-E518 IonicContact NE-OE2 2.74Å; R493-E518 PolarHBondContact NE-OE2 3.46Å; R493-E518 IonicContact NH2-OE1 2.87Å; R493-E518 IonicContact NH2-OE2 3.62Å; R493-E518 PolarHBondContact NH2-OE2 2.96Å; W514-E518 PolarHBondContact NE1-OE1 3.45Å; W514-E518 PolarHBondContact O-N 3.35Å; E518-Q520 VanDerWaalsContact C-N 3.31Å; E518-Q520 PolarHBondContact O-N 2.85Å; E518-Q521 CarbonylContact O-C 3.57Å; E518-Q521 PolarHBondContact O-N 3.26Å; E518-G522 PolarHBondContact O-N 2.91Å; E518-G522 VanDerWaalsContact O-N 3.08Å; E518-K523 HydrophobicContact CB-CB 4.21Å; E518-K523 PolarHBondContact O-N 3.05Å; E518-E526 HydrophobicContact CB-CB 4.33Å; E518-E526 HydrophobicContact CG-CB 4.23Å; E518-A527 HydrophobicContact CB-CB 4.2Å; E518-I530 HydrophobicContact CG-CD1 3.81Å
519	E	94.9	Very high	95.6	Very high	21 Å²	21	43.6 Å²	43.6	10%	0.098	24%	0.235	C	C	.	.	H	α-helix	trans	-62.8	-37.1	173.6	-171.9	-179.6	-171.8	0	0	112.4	A515 A516 F517 G522 A527 L551 R554 R555	A515-E519 WeakPolarHBondContact O-CB 3.19Å; A515-E519 PolarHBondContact O-N 3.33Å; A515-E519 VanDerWaalsContact O-N 3.14Å; A516-E519 PolarHBondContact O-N 2.85Å; F517-E519 VanDerWaalsContact C-N 3.31Å; F517-E519 PolarHBondContact O-N 3.21Å; E519-G522 PolarHBondContact O-N 3.14Å; E519-A527 HydrophobicContact CB-CB 4.27Å; E519-L551 HydrophobicContact CB-CD1 4.29Å; E519-L551 HydrophobicContact CG-CD1 4.16Å; E519-R554 IonicContact OE1-CZ 2.77Å; E519-R554 IonicContact OE1-NE 3.82Å; E519-R554 PolarHBondContact OE1-NE 2.84Å; E519-R554 IonicContact OE1-NH2 3.63Å; E519-R554 PolarHBondContact OE1-NH2 3.42Å; E519-R554 IonicContact OE2-CZ 3.06Å; E519-R554 IonicContact OE2-NE 2.74Å; E519-R554 PolarHBondContact OE2-NE 3.02Å; E519-R554 IonicContact OE2-NH2 3.14Å; E519-R554 PolarHBondContact OE2-NH2 2.78Å; E519-R555 PolarHBondContact O-NH2 2.61Å; E519-R555 IonicContact OE1-NE 2.83Å; E519-R555 IonicContact OE1-NH2 3.76Å
520	Q	94.2	Very high	95.7	Very high	155 Å²	155	42.9 Å²	42.9	72%	0.724	23%	0.227	S	C	*	.	H	α-helix	trans	-69.7	-38.8	174.5	178	175.5	-27.6	0	0	112	A516 F517 E518 G522	A516-Q520 WeakPolarHBondContact O-CB 3.35Å; A516-Q520 PolarHBondContact O-N 2.68Å; F517-Q520 WeakPolarHBondContact O-CA 3.22Å; F517-Q520 WeakPolarHBondContact O-CB 3.46Å; F517-Q520 PolarHBondContact O-N 2.92Å; F517-Q520 VanDerWaalsContact O-N 3.08Å; E518-Q520 VanDerWaalsContact C-N 3.31Å; E518-Q520 PolarHBondContact O-N 2.85Å; Q520-G522 PolarHBondContact O-N 2.59Å
521	Q	94.5	Very high	95.7	Very high	73 Å²	73	43 Å²	43	34%	0.341	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	4.7	171.2	-54.7	-52.2	-27.5	0	0	113.3	F517 E518 K523	F517-Q521 HydrophobicContact CD1-CG 4.36Å; F517-Q521 HydrophobicContact CD2-CG 4.32Å; F517-Q521 HydrophobicContact CE1-CG 3.91Å; F517-Q521 HydrophobicContact CE2-CG 3.87Å; F517-Q521 HydrophobicContact CZ-CG 3.63Å; F517-Q521 WeakPolarHBondContact O-CG 3.46Å; F517-Q521 PolarHBondContact O-N 2.9Å; E518-Q521 CarbonylContact O-C 3.57Å; E518-Q521 PolarHBondContact O-N 3.26Å; Q521-K523 VanDerWaalsContact C-N 3.27Å; Q521-K523 PolarHBondContact O-N 3.01Å
522	G	93.3	Very high	95.6	Very high	46 Å²	46	47.3 Å²	47.3	47%	0.474	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	0.9	178.8	0	0	0	0	0	115.7	E518 E519 Q520 V524	E518-G522 PolarHBondContact O-N 2.91Å; E518-G522 VanDerWaalsContact O-N 3.08Å; E519-G522 PolarHBondContact O-N 3.14Å; Q520-G522 PolarHBondContact O-N 2.59Å; G522-V524 PolarHBondContact O-N 3.23Å
523	K	94.7	Very high	95.6	Very high	92 Å²	92	48.9 Å²	48.9	40%	0.4	26%	0.261	S	S	.	.			trans	-81.7	67.1	178.7	-61.1	-167.9	-176.4	-178.1	0	110.9	R493 E518 Q521 E525 E526 A527	R493-K523 VanDerWaalsContact CZ-NZ 3.29Å; E518-K523 HydrophobicContact CB-CB 4.21Å; E518-K523 PolarHBondContact O-N 3.05Å; Q521-K523 VanDerWaalsContact C-N 3.27Å; Q521-K523 PolarHBondContact O-N 3.01Å; K523-E525 PolarHBondContact O-N 3.43Å; K523-E526 HydrophobicContact CB-CB 4.2Å; K523-E526 HydrophobicContact CB-CG 4.01Å; K523-E526 PolarHBondContact O-N 3.15Å; K523-A527 PolarHBondContact O-N 3.44Å; K523-A527 VanDerWaalsContact O-N 3.14Å
524	V	94.9	Very high	95.5	Very high	17 Å²	17	46 Å²	46	10%	0.103	25%	0.246	C	C	.	.	H	α-helix	trans	-61.6	-39.4	-173.4	-171.4	0	0	0	0	112.9	G522 A527 R528 L551 R555	G522-V524 PolarHBondContact O-N 3.23Å; V524-A527 WeakPolarHBondContact O-CB 3.27Å; V524-A527 PolarHBondContact O-N 2.99Å; V524-R528 PolarHBondContact O-N 3Å; V524-L551 HydrophobicContact CG1-CD2 3.93Å; V524-R555 HydrophobicContact CG1-CG 4.01Å; V524-R555 VanDerWaalsContact CG2-CZ 3.4Å
525	E	95.4	Very high	95.3	Very high	124 Å²	124	45.6 Å²	45.6	58%	0.579	25%	0.245	S	C	*	.	H	α-helix	trans	-68	-37.6	-179	-48.5	-47.6	144.8	0	0	112.1	K523 R528 G529	K523-E525 PolarHBondContact O-N 3.43Å; E525-R528 WeakPolarHBondContact O-CB 3.23Å; E525-R528 PolarHBondContact O-N 2.83Å; E525-R528 IonicContact OE1-NH1 2.89Å; E525-R528 PolarHBondContact OE1-NH1 2.65Å; E525-R528 WeakPolarHBondContact OE2-CD 3.35Å; E525-R528 IonicContact OE2-CZ 3.67Å; E525-R528 IonicContact OE2-NE 3.45Å; E525-R528 IonicContact OE2-NH1 2.7Å; E525-R528 PolarHBondContact OE2-NH1 3.37Å; E525-G529 PolarHBondContact O-N 2.78Å
526	E	95.2	Very high	95	Very high	111 Å²	111	51.5 Å²	51.5	52%	0.519	27%	0.273	S	S	.	.	H	α-helix	trans	-61.2	-47.3	171.2	-58.7	-60	132.8	0	0	110.3	E518 K523 R528 G529 I530	E518-E526 HydrophobicContact CB-CB 4.33Å; E518-E526 HydrophobicContact CG-CB 4.23Å; K523-E526 HydrophobicContact CB-CB 4.2Å; K523-E526 HydrophobicContact CB-CG 4.01Å; K523-E526 PolarHBondContact O-N 3.15Å; E526-R528 VanDerWaalsContact C-N 3.28Å; E526-R528 PolarHBondContact O-N 3.44Å; E526-G529 PolarHBondContact O-N 2.8Å; E526-G529 VanDerWaalsContact O-N 3.08Å; E526-I530 WeakPolarHBondContact O-CD1 3.44Å; E526-I530 WeakPolarHBondContact O-CG1 3.33Å; E526-I530 PolarHBondContact O-N 2.94Å
527	A	96.6	Very high	94.8	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-58.8	-36.5	176.3	0	0	0	0	0	112.9	A515 E518 E519 K523 V524 L531 L551	A515-A527 HydrophobicContact CB-CB 4.45Å; A515-A527 VanDerWaalsContact O-CB 3.3Å; A515-A527 WeakPolarHBondContact O-CB 3.45Å; E518-A527 HydrophobicContact CB-CB 4.2Å; E519-A527 HydrophobicContact CB-CB 4.27Å; K523-A527 PolarHBondContact O-N 3.44Å; K523-A527 VanDerWaalsContact O-N 3.14Å; V524-A527 WeakPolarHBondContact O-CB 3.27Å; V524-A527 PolarHBondContact O-N 2.99Å; A527-L531 WeakPolarHBondContact O-CB 3.48Å; A527-L531 WeakPolarHBondContact O-CD1 3.45Å; A527-L531 WeakPolarHBondContact O-CG 3.17Å; A527-L531 PolarHBondContact O-N 3.42Å; A527-L551 HydrophobicContact CB-CD1 3.65Å
528	R	95.9	Very high	94.4	Very high	57 Å²	57	53.9 Å²	53.9	22%	0.215	28%	0.283	C	S	.	.	H	α-helix	trans	-65.6	-47.5	171	-72.4	176.4	176.5	124.8	6.4	112	V524 E525 E526 L531 K532 L551 E552 N557	V524-R528 PolarHBondContact O-N 3Å; E525-R528 WeakPolarHBondContact O-CB 3.23Å; E525-R528 PolarHBondContact O-N 2.83Å; E525-R528 IonicContact OE1-NH1 2.89Å; E525-R528 PolarHBondContact OE1-NH1 2.65Å; E525-R528 WeakPolarHBondContact OE2-CD 3.35Å; E525-R528 IonicContact OE2-CZ 3.67Å; E525-R528 IonicContact OE2-NE 3.45Å; E525-R528 IonicContact OE2-NH1 2.7Å; E525-R528 PolarHBondContact OE2-NH1 3.37Å; E526-R528 VanDerWaalsContact C-N 3.28Å; E526-R528 PolarHBondContact O-N 3.44Å; R528-L531 PolarHBondContact O-N 2.81Å; R528-K532 WeakPolarHBondContact O-CB 3.45Å; R528-K532 PolarHBondContact O-N 3.38Å; R528-L551 HydrophobicContact CG-CD2 3.85Å; R528-E552 IonicContact CZ-OE1 3.62Å; R528-E552 IonicContact CZ-OE2 2.67Å; R528-E552 IonicContact NE-OE1 3.98Å; R528-E552 PolarHBondContact NE-OE1 3.08Å; R528-E552 IonicContact NE-OE2 2.72Å; R528-E552 PolarHBondContact NE-OE2 2.92Å; R528-E552 IonicContact NH2-OE1 3.73Å; R528-E552 PolarHBondContact NH2-OE1 2.75Å; R528-E552 IonicContact NH2-OE2 2.72Å; R528-E552 PolarHBondContact NH2-OE2 2.85Å; R528-N557 PolarHBondContact NH2-ND2 2.76Å
529	G	96.4	Very high	94	Very high	40 Å²	40	57.7 Å²	57.7	41%	0.412	31%	0.309	S	S	.	.	H	α-helix	trans	-57.9	-49	179.3	0	0	0	0	0	112.4	E525 E526 L531 K532 A533	E525-G529 PolarHBondContact O-N 2.78Å; E526-G529 PolarHBondContact O-N 2.8Å; E526-G529 VanDerWaalsContact O-N 3.08Å; G529-L531 PolarHBondContact O-N 2.66Å; G529-K532 PolarHBondContact O-N 2.77Å; G529-A533 WeakPolarHBondContact O-CB 3.39Å; G529-A533 PolarHBondContact O-N 3.29Å
530	I	96.2	Very high	93.4	Very high	11 Å²	11	59.1 Å²	59.1	6%	0.056	32%	0.317	C	S	.	.	H	α-helix	trans	-57.1	-49.5	176.8	-63.8	157.1	0	0	0	110.8	H511 W514 A515 E518 E526 K532 A533 L534	H511-I530 HydrophobicContact CB-CG2 4.45Å; W514-I530 HydrophobicContact CD2-CD1 3.47Å; W514-I530 VanDerWaalsContact CD2-CD1 3.47Å; W514-I530 HydrophobicContact CD2-CG1 3.91Å; W514-I530 HydrophobicContact CD2-CG2 4.24Å; W514-I530 HydrophobicContact CE3-CB 4.47Å; W514-I530 HydrophobicContact CE3-CD1 3.94Å; W514-I530 HydrophobicContact CE3-CG1 3.82Å; W514-I530 HydrophobicContact CE3-CG2 3.77Å; W514-I530 HydrophobicContact CG-CD1 3.82Å; W514-I530 HydrophobicContact CH2-CD1 4.22Å; W514-I530 HydrophobicContact CH2-CG1 3.89Å; W514-I530 HydrophobicContact CZ2-CD1 3.79Å; W514-I530 HydrophobicContact CZ2-CG1 3.97Å; W514-I530 HydrophobicContact CZ3-CD1 4.29Å; W514-I530 HydrophobicContact CZ3-CG1 3.82Å; W514-I530 HydrophobicContact CZ3-CG2 4.26Å; A515-I530 HydrophobicContact CB-CB 4.25Å; A515-I530 HydrophobicContact CB-CG2 3.99Å; E518-I530 HydrophobicContact CG-CD1 3.81Å; E526-I530 WeakPolarHBondContact O-CD1 3.44Å; E526-I530 WeakPolarHBondContact O-CG1 3.33Å; E526-I530 PolarHBondContact O-N 2.94Å; I530-K532 PolarHBondContact O-N 2.6Å; I530-A533 PolarHBondContact O-N 2.79Å; I530-L534 WeakPolarHBondContact O-CB 3.39Å; I530-L534 PolarHBondContact O-N 3.06Å
531	L	95.8	Very high	93	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-68.7	-34.4	-178.1	-66.8	170.7	0	0	0	112.9	L512 A515 A527 R528 G529 E535 V544 R547 R548 L551	L512-L531 HydrophobicContact CD2-CD2 3.63Å; A515-L531 HydrophobicContact CB-CD1 4.16Å; A515-L531 HydrophobicContact CB-CD2 3.73Å; A515-L531 HydrophobicContact CB-CG 3.66Å; A527-L531 WeakPolarHBondContact O-CB 3.48Å; A527-L531 WeakPolarHBondContact O-CD1 3.45Å; A527-L531 WeakPolarHBondContact O-CG 3.17Å; A527-L531 PolarHBondContact O-N 3.42Å; R528-L531 PolarHBondContact O-N 2.81Å; G529-L531 PolarHBondContact O-N 2.66Å; L531-E535 PolarHBondContact O-N 2.93Å; L531-E535 VanDerWaalsContact O-N 3.14Å; L531-V544 VanDerWaalsContact O-CG1 3.3Å; L531-V544 WeakPolarHBondContact O-CG1 3.31Å; L531-R547 HydrophobicContact CD1-CB 4.4Å; L531-R547 HydrophobicContact CD1-CG 3.78Å; L531-R547 HydrophobicContact CD2-CB 4.07Å; L531-R547 HydrophobicContact CD2-CG 3.64Å; L531-R547 HydrophobicContact CG-CG 4.39Å; L531-R548 HydrophobicContact CB-CG 3.55Å; L531-R548 HydrophobicContact CD1-CG 4.1Å; L531-R548 HydrophobicContact CG-CG 4.41Å; L531-L551 HydrophobicContact CD1-CD1 4.22Å
532	K	94.7	Very high	92.6	Very high	106 Å²	106	48.9 Å²	48.9	46%	0.461	27%	0.269	S	S	.	.	H	α-helix	trans	-68.5	-49.5	174.9	-180	177.7	166.8	178.3	0	111.1	R528 G529 I530 L534 E535 E536	R528-K532 WeakPolarHBondContact O-CB 3.45Å; R528-K532 PolarHBondContact O-N 3.38Å; G529-K532 PolarHBondContact O-N 2.77Å; I530-K532 PolarHBondContact O-N 2.6Å; K532-L534 VanDerWaalsContact C-N 3.26Å; K532-L534 PolarHBondContact O-N 3.31Å; K532-E535 WeakPolarHBondContact O-CB 3.39Å; K532-E535 PolarHBondContact O-N 3.19Å; K532-E536 WeakPolarHBondContact CE-OE1 3.49Å; K532-E536 IonicContact NZ-OE1 3.38Å; K532-E536 WeakPolarHBondContact O-CG 3.37Å; K532-E536 PolarHBondContact O-N 3.14Å
533	A	95	Very high	92.3	Very high	46 Å²	46	48.1 Å²	48.1	38%	0.38	25%	0.254	S	S	.	.	H	α-helix	trans	-60.9	-35.2	177.8	0	0	0	0	0	112.2	G529 I530 T537	G529-A533 WeakPolarHBondContact O-CB 3.39Å; G529-A533 PolarHBondContact O-N 3.29Å; I530-A533 PolarHBondContact O-N 2.79Å; A533-T537 VanDerWaalsContact O-CB 3.23Å; A533-T537 WeakPolarHBondContact O-CB 3.42Å; A533-T537 PolarHBondContact O-N 3.38Å; A533-T537 PolarHBondContact O-OG1 3.45Å
534	L	94.6	Very high	92.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.1	-37.8	172.4	-179.7	65.6	0	0	0	112.6	P508 H511 L512 I530 K532 T537 I538 V544	P508-L534 HydrophobicContact CB-CD1 4.43Å; P508-L534 HydrophobicContact CB-CD2 4.35Å; H511-L534 HydrophobicContact CB-CD1 4.03Å; H511-L534 HydrophobicContact CB-CD2 3.71Å; H511-L534 HydrophobicContact CB-CG 4.31Å; L512-L534 HydrophobicContact CD2-CD2 4.47Å; L512-L534 HydrophobicContact CG-CD2 4.25Å; I530-L534 WeakPolarHBondContact O-CB 3.39Å; I530-L534 PolarHBondContact O-N 3.06Å; K532-L534 VanDerWaalsContact C-N 3.26Å; K532-L534 PolarHBondContact O-N 3.31Å; L534-T537 PolarHBondContact O-N 3.27Å; L534-I538 HydrophobicContact CD1-CD1 3.72Å; L534-I538 HydrophobicContact CD1-CG1 4.16Å; L534-I538 PolarHBondContact O-N 3.3Å; L534-V544 HydrophobicContact CB-CG1 4.28Å; L534-V544 HydrophobicContact CD2-CB 4.4Å; L534-V544 HydrophobicContact CD2-CG1 3.93Å; L534-V544 HydrophobicContact CD2-CG2 3.55Å; L534-V544 HydrophobicContact CG-CG1 4.13Å; L534-V544 HydrophobicContact CG-CG2 3.92Å
535	E	92.7	Very high	92	Very high	18 Å²	18	43.6 Å²	43.6	8%	0.084	23%	0.233	C	C	.	.	H	α-helix	trans	-71.6	-34.9	177.5	-163.4	173.9	136.9	0	0	112	L531 K532 I538 P539 V544 R545 R548	L531-E535 PolarHBondContact O-N 2.93Å; L531-E535 VanDerWaalsContact O-N 3.14Å; K532-E535 WeakPolarHBondContact O-CB 3.39Å; K532-E535 PolarHBondContact O-N 3.19Å; E535-I538 CarbonylContact O-C 3.42Å; E535-P539 WeakPolarHBondContact O-CA 3.33Å; E535-V544 HydrophobicContact CB-CG1 3.96Å; E535-R545 IonicContact OE1-CZ 2.73Å; E535-R545 IonicContact OE1-NE 2.75Å; E535-R545 PolarHBondContact OE1-NE 2.9Å; E535-R545 IonicContact OE1-NH2 3.52Å; E535-R545 PolarHBondContact OE1-NH2 3.21Å; E535-R545 IonicContact OE2-NE 3.43Å; E535-R548 IonicContact OE1-NH1 3.48Å; E535-R548 PolarHBondContact OE1-NH1 2.9Å; E535-R548 WeakPolarHBondContact OE2-CD 3.47Å; E535-R548 IonicContact OE2-CZ 3.41Å; E535-R548 IonicContact OE2-NE 2.72Å; E535-R548 IonicContact OE2-NH1 2.75Å; E535-R548 PolarHBondContact OE2-NH1 2.74Å
536	E	92.3	Very high	91.9	Very high	126 Å²	126	39.1 Å²	39.1	59%	0.589	21%	0.212	S	C	*	.	H	α-helix	trans	-68.4	-36.8	170.7	-69	169.3	170.7	0	0	111.7	K532	K532-E536 WeakPolarHBondContact CE-OE1 3.49Å; K532-E536 IonicContact NZ-OE1 3.38Å; K532-E536 WeakPolarHBondContact O-CG 3.37Å; K532-E536 PolarHBondContact O-N 3.14Å
537	T	90.6	Very high	91.7	Very high	63 Å²	63	37.9 Å²	37.9	39%	0.387	20%	0.203	S	C	.	.	H	α-helix	trans	-77.6	-31.1	178.9	-59.8	0	0	0	0	113.1	K506 A533 L534	K506-T537 HydrophobicContact CG-CG2 3.97Å; A533-T537 VanDerWaalsContact O-CB 3.23Å; A533-T537 WeakPolarHBondContact O-CB 3.42Å; A533-T537 PolarHBondContact O-N 3.38Å; A533-T537 PolarHBondContact O-OG1 3.45Å; L534-T537 PolarHBondContact O-N 3.27Å
538	I	89.3	Confident	91.7	Very high	23 Å²	23	39.7 Å²	39.7	12%	0.118	21%	0.21	C	C	.	.	S	Bend	trans	-132.8	76.4	177.9	-40.8	177.7	0	0	0	109.9	K506 P508 L534 E535 L541	K506-I538 HydrophobicContact CB-CD1 4.46Å; K506-I538 WeakPolarHBondContact O-CD1 3.45Å; P508-I538 HydrophobicContact CB-CD1 4.31Å; P508-I538 HydrophobicContact CG-CD1 4.48Å; L534-I538 HydrophobicContact CD1-CD1 3.72Å; L534-I538 HydrophobicContact CD1-CG1 4.16Å; L534-I538 PolarHBondContact O-N 3.3Å; E535-I538 CarbonylContact O-C 3.42Å; I538-L541 HydrophobicContact CB-CD2 4.41Å; I538-L541 HydrophobicContact CD1-CD2 4.32Å; I538-L541 HydrophobicContact CG2-CB 4.08Å; I538-L541 HydrophobicContact CG2-CD2 4.04Å
539	P	86.1	Confident	91.6	Very high	82 Å²	82	37.5 Å²	37.5	53%	0.532	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	149.2	179.4	-27.6	36.7	0	0	0	113.1	E535 L541	E535-P539 WeakPolarHBondContact O-CA 3.33Å; P539-L541 PolarHBondContact O-N 3.08Å
540	N	82.3	Confident	91.5	Very high	51 Å²	51	37.1 Å²	37.1	27%	0.273	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	11.8	174.3	-40.6	-56.9	0	0	0	115.3	A542 N573	N540-A542 PolarHBondContact O-N 2.91Å; N540-N573 VanDerWaalsContact CB-ND2 3.3Å; N540-N573 WeakPolarHBondContact CB-ND2 3.35Å; N540-N573 PolarHBondContact ND2-ND2 2.96Å; N540-N573 PolarHBondContact OD1-ND2 3.25Å
541	L	86.8	Confident	91.4	Very high	10 Å²	10	36.6 Å²	36.6	5%	0.052	19%	0.191	C	C	.	.			trans	-80.4	84.7	172.8	-174.8	58.1	0	0	0	110.7	P508 I538 P539 M543 V544	P508-L541 HydrophobicContact CB-CD2 3.52Å; P508-L541 HydrophobicContact CG-CD2 3.72Å; I538-L541 HydrophobicContact CB-CD2 4.41Å; I538-L541 HydrophobicContact CD1-CD2 4.32Å; I538-L541 HydrophobicContact CG2-CB 4.08Å; I538-L541 HydrophobicContact CG2-CD2 4.04Å; P539-L541 PolarHBondContact O-N 3.08Å; L541-M543 HydrophobicContact CD1-CG 3.78Å; L541-M543 HydrophobicContact CD1-SD 3.95Å; L541-M543 HydrophobicContact CD2-CG 4.25Å; L541-M543 HydrophobicContact CG-CG 3.69Å; L541-M543 HydrophobicContact CG-SD 4.32Å; L541-M543 PolarHBondContact O-N 2.9Å; L541-V544 HydrophobicContact CB-CG2 4.18Å; L541-V544 HydrophobicContact CD2-CG2 3.79Å; L541-V544 HydrophobicContact CG-CG2 3.94Å; L541-V544 WeakPolarHBondContact O-CB 3.31Å; L541-V544 PolarHBondContact O-N 3.15Å
542	A	86	Confident	91.4	Very high	2 Å²	2	37 Å²	37	2%	0.017	19%	0.193	C	C	.	.	H	α-helix	trans	-50.8	-29.3	-170.2	0	0	0	0	0	116	N540 V544 R545 L546 F580 Y581	N540-A542 PolarHBondContact O-N 2.91Å; A542-V544 VanDerWaalsContact C-N 3.28Å; A542-V544 PolarHBondContact O-N 3.26Å; A542-R545 PolarHBondContact O-N 3.44Å; A542-L546 WeakPolarHBondContact O-CG 3.41Å; A542-L546 PolarHBondContact O-N 3.26Å; A542-F580 HydrophobicContact CB-CE1 4Å; A542-Y581 WeakPolarHBondContact CA-OH 3.41Å; A542-Y581 HydrophobicContact CB-CE1 4.23Å; A542-Y581 VanDerWaalsContact CB-OH 3.32Å; A542-Y581 WeakPolarHBondContact CB-OH 3.46Å
543	M	87.2	Confident	91.3	Very high	30 Å²	30	37.4 Å²	37.4	15%	0.148	19%	0.191	C	C	.	.	H	α-helix	trans	-63.2	-27.1	174.3	57.2	-172.3	-85.9	0	0	114.3	P508 L512 L541 R547 Y733	P508-M543 HydrophobicContact CB-CE 4.5Å; L512-M543 HydrophobicContact CD1-CE 3.31Å; L541-M543 HydrophobicContact CD1-CG 3.78Å; L541-M543 HydrophobicContact CD1-SD 3.95Å; L541-M543 HydrophobicContact CD2-CG 4.25Å; L541-M543 HydrophobicContact CG-CG 3.69Å; L541-M543 HydrophobicContact CG-SD 4.32Å; L541-M543 PolarHBondContact O-N 2.9Å; M543-R547 PolarHBondContact O-N 2.99Å; M543-R547 VanDerWaalsContact O-N 3.13Å; M543-Y733 HydrophobicContact CE-CD1 4Å; M543-Y733 HydrophobicContact SD-CD1 4.16Å; M543-Y733 HydrophobicContact SD-CG 4.41Å
544	V	90.8	Very high	91.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-73.5	-50.7	175	-177.4	0	0	0	0	110.2	L531 L534 E535 L541 A542 L546 R547 R548	L531-V544 VanDerWaalsContact O-CG1 3.3Å; L531-V544 WeakPolarHBondContact O-CG1 3.31Å; L534-V544 HydrophobicContact CB-CG1 4.28Å; L534-V544 HydrophobicContact CD2-CB 4.4Å; L534-V544 HydrophobicContact CD2-CG1 3.93Å; L534-V544 HydrophobicContact CD2-CG2 3.55Å; L534-V544 HydrophobicContact CG-CG1 4.13Å; L534-V544 HydrophobicContact CG-CG2 3.92Å; E535-V544 HydrophobicContact CB-CG1 3.96Å; L541-V544 HydrophobicContact CB-CG2 4.18Å; L541-V544 HydrophobicContact CD2-CG2 3.79Å; L541-V544 HydrophobicContact CG-CG2 3.94Å; L541-V544 WeakPolarHBondContact O-CB 3.31Å; L541-V544 PolarHBondContact O-N 3.15Å; A542-V544 VanDerWaalsContact C-N 3.28Å; A542-V544 PolarHBondContact O-N 3.26Å; V544-L546 VanDerWaalsContact C-N 3.32Å; V544-L546 PolarHBondContact O-N 3.3Å; V544-R547 WeakPolarHBondContact O-CA 3.49Å; V544-R547 WeakPolarHBondContact O-CB 3.36Å; V544-R547 PolarHBondContact O-N 3.04Å; V544-R548 PolarHBondContact O-N 3.45Å
545	R	92.7	Very high	91.1	Very high	15 Å²	15	46.1 Å²	46.1	6%	0.057	22%	0.215	C	C	.	.	H	α-helix	trans	-59	-41.8	176.3	-167	168.2	-71.3	167.4	-19.2	111.8	E535 A542 R547 R548 V549 T571 Y581	E535-R545 IonicContact OE1-CZ 2.73Å; E535-R545 IonicContact OE1-NE 2.75Å; E535-R545 PolarHBondContact OE1-NE 2.9Å; E535-R545 IonicContact OE1-NH2 3.52Å; E535-R545 PolarHBondContact OE1-NH2 3.21Å; E535-R545 IonicContact OE2-NE 3.43Å; A542-R545 PolarHBondContact O-N 3.44Å; R545-R547 VanDerWaalsContact C-N 3.3Å; R545-R547 PolarHBondContact O-N 3.46Å; R545-R548 PolarHBondContact O-N 3.02Å; R545-V549 VanDerWaalsContact O-CG2 3.28Å; R545-V549 WeakPolarHBondContact O-CG2 3.42Å; R545-V549 PolarHBondContact O-N 2.82Å; R545-T571 PolarHBondContact NH1-OG1 2.88Å; R545-T571 PolarHBondContact NH2-OG1 3.23Å; R545-Y581 HydrophobicContact CB-CE1 4.42Å; R545-Y581 HydrophobicContact CG-CE1 4.32Å
546	L	92.1	Very high	91	Very high	30 Å²	30	47.7 Å²	47.7	16%	0.157	24%	0.236	C	C	.	.	H	α-helix	trans	-66.2	-26.6	172.1	-69.2	-155.5	0	0	0	113.8	A542 V544 S550 L565 F580 K584 Y738	A542-L546 WeakPolarHBondContact O-CG 3.41Å; A542-L546 PolarHBondContact O-N 3.26Å; V544-L546 VanDerWaalsContact C-N 3.32Å; V544-L546 PolarHBondContact O-N 3.3Å; L546-S550 VanDerWaalsContact O-CB 3.23Å; L546-S550 WeakPolarHBondContact O-CB 3.31Å; L546-S550 PolarHBondContact O-N 3Å; L546-S550 PolarHBondContact O-OG 3.31Å; L546-L565 HydrophobicContact CD2-CD2 3.91Å; L546-F580 HydrophobicContact CD1-CE1 4.42Å; L546-F580 HydrophobicContact CD1-CZ 3.96Å; L546-K584 HydrophobicContact CD1-CD 4.16Å; L546-K584 HydrophobicContact CD1-CG 4.37Å; L546-K584 HydrophobicContact CD2-CB 4.44Å; L546-K584 HydrophobicContact CD2-CG 4.18Å; L546-Y738 HydrophobicContact CD1-CE1 3.89Å; L546-Y738 WeakPolarHBondContact CD1-OH 3.4Å
547	R	92.4	Very high	91.1	Very high	85 Å²	85	45.1 Å²	45.1	32%	0.321	23%	0.226	S	C	.	.	H	α-helix	trans	-71.2	-43.6	172.5	-174.9	63.3	63.8	118.9	-0.8	111.2	L512 L531 M543 V544 R545 S550 L551	L512-R547 HydrophobicContact CD2-CB 3.68Å; L512-R547 HydrophobicContact CD2-CG 3.68Å; L531-R547 HydrophobicContact CD1-CB 4.4Å; L531-R547 HydrophobicContact CD1-CG 3.78Å; L531-R547 HydrophobicContact CD2-CB 4.07Å; L531-R547 HydrophobicContact CD2-CG 3.64Å; L531-R547 HydrophobicContact CG-CG 4.39Å; M543-R547 PolarHBondContact O-N 2.99Å; M543-R547 VanDerWaalsContact O-N 3.13Å; V544-R547 WeakPolarHBondContact O-CA 3.49Å; V544-R547 WeakPolarHBondContact O-CB 3.36Å; V544-R547 PolarHBondContact O-N 3.04Å; R545-R547 VanDerWaalsContact C-N 3.3Å; R545-R547 PolarHBondContact O-N 3.46Å; R547-S550 PolarHBondContact O-N 3.13Å; R547-L551 PolarHBondContact O-N 3.42Å
548	R	94.9	Very high	91.2	Very high	37 Å²	37	44.6 Å²	44.6	14%	0.14	22%	0.221	C	C	.	.	H	α-helix	trans	-56.1	-55.6	172.6	-66	171.1	70.2	-156.1	-1.2	110.9	L531 E535 V544 R545 S550 L551 E552 L564	L531-R548 HydrophobicContact CB-CG 3.55Å; L531-R548 HydrophobicContact CD1-CG 4.1Å; L531-R548 HydrophobicContact CG-CG 4.41Å; E535-R548 IonicContact OE1-NH1 3.48Å; E535-R548 PolarHBondContact OE1-NH1 2.9Å; E535-R548 WeakPolarHBondContact OE2-CD 3.47Å; E535-R548 IonicContact OE2-CZ 3.41Å; E535-R548 IonicContact OE2-NE 2.72Å; E535-R548 IonicContact OE2-NH1 2.75Å; E535-R548 PolarHBondContact OE2-NH1 2.74Å; V544-R548 PolarHBondContact O-N 3.45Å; R545-R548 PolarHBondContact O-N 3.02Å; R548-S550 PolarHBondContact O-N 3.46Å; R548-L551 WeakPolarHBondContact O-CB 3.46Å; R548-L551 PolarHBondContact O-N 2.72Å; R548-E552 PolarHBondContact O-N 2.97Å; R548-L564 HydrophobicContact CB-CD1 3.96Å; R548-L564 VanDerWaalsContact CZ-CD2 3.44Å
549	V	94.8	Very high	91.4	Very high	11 Å²	11	49.5 Å²	49.5	7%	0.067	25%	0.247	C	C	.	.	H	α-helix	trans	-53.5	-39.2	175.5	170.5	0	0	0	0	112.4	R545 R553 A561 L564 L565	R545-V549 VanDerWaalsContact O-CG2 3.28Å; R545-V549 WeakPolarHBondContact O-CG2 3.42Å; R545-V549 PolarHBondContact O-N 2.82Å; V549-R553 VanDerWaalsContact O-CB 3.23Å; V549-R553 WeakPolarHBondContact O-CB 3.43Å; V549-R553 PolarHBondContact O-N 3.12Å; V549-R553 VanDerWaalsContact O-N 3.1Å; V549-A561 HydrophobicContact CG1-CB 4.34Å; V549-L564 HydrophobicContact CG2-CB 3.6Å; V549-L564 HydrophobicContact CG2-CD1 4.2Å; V549-L565 HydrophobicContact CG1-CD1 3.92Å; V549-L565 HydrophobicContact CG1-CD2 4.23Å; V549-L565 HydrophobicContact CG1-CG 4Å; V549-L565 HydrophobicContact CG2-CD2 3.83Å; V549-L565 HydrophobicContact CG2-CG 3.76Å
550	S	94.3	Very high	91.8	Very high	32 Å²	32	50 Å²	50	22%	0.224	24%	0.242	C	C	.	.	H	α-helix	trans	-71.4	-31.9	178.8	-65.5	0	0	0	0	113.5	L546 R547 R548 R554	L546-S550 VanDerWaalsContact O-CB 3.23Å; L546-S550 WeakPolarHBondContact O-CB 3.31Å; L546-S550 PolarHBondContact O-N 3Å; L546-S550 PolarHBondContact O-OG 3.31Å; R547-S550 PolarHBondContact O-N 3.13Å; R548-S550 PolarHBondContact O-N 3.46Å; S550-R554 WeakPolarHBondContact O-CG 3.44Å; S550-R554 PolarHBondContact O-N 3.23Å; S550-R554 VanDerWaalsContact O-N 3.15Å; S550-R554 PolarHBondContact O-NH1 2.96Å
551	L	94.1	Very high	92.3	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-72.7	-50	176.7	179.9	146	0	0	0	110.4	E519 V524 A527 R528 L531 R547 R548 R553 R554 R555	E519-L551 HydrophobicContact CB-CD1 4.29Å; E519-L551 HydrophobicContact CG-CD1 4.16Å; V524-L551 HydrophobicContact CG1-CD2 3.93Å; A527-L551 HydrophobicContact CB-CD1 3.65Å; R528-L551 HydrophobicContact CG-CD2 3.85Å; L531-L551 HydrophobicContact CD1-CD1 4.22Å; R547-L551 PolarHBondContact O-N 3.42Å; R548-L551 WeakPolarHBondContact O-CB 3.46Å; R548-L551 PolarHBondContact O-N 2.72Å; L551-R553 VanDerWaalsContact C-N 3.31Å; L551-R553 PolarHBondContact O-N 2.97Å; L551-R554 WeakPolarHBondContact O-CB 3.11Å; L551-R554 PolarHBondContact O-N 2.94Å; L551-R555 WeakPolarHBondContact O-CG 3.31Å; L551-R555 PolarHBondContact O-N 3.48Å
552	E	94.9	Very high	92.7	Very high	9 Å²	9	48.1 Å²	48.1	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-56.8	-45.5	174.9	-63	-43.7	130	0	0	112	R528 R548 R554 R555 G556 N557 E560 A561 L564	R528-E552 IonicContact CZ-OE1 3.62Å; R528-E552 IonicContact CZ-OE2 2.67Å; R528-E552 IonicContact NE-OE1 3.98Å; R528-E552 PolarHBondContact NE-OE1 3.08Å; R528-E552 IonicContact NE-OE2 2.72Å; R528-E552 PolarHBondContact NE-OE2 2.92Å; R528-E552 IonicContact NH2-OE1 3.73Å; R528-E552 PolarHBondContact NH2-OE1 2.75Å; R528-E552 IonicContact NH2-OE2 2.72Å; R528-E552 PolarHBondContact NH2-OE2 2.85Å; R548-E552 PolarHBondContact O-N 2.97Å; E552-R554 VanDerWaalsContact C-N 3.31Å; E552-R554 PolarHBondContact O-N 3.4Å; E552-R555 CarbonylContact O-C 3.41Å; E552-R555 PolarHBondContact O-N 2.69Å; E552-G556 PolarHBondContact O-N 2.96Å; E552-N557 HydrophobicContact CB-CB 3.97Å; E552-N557 PolarHBondContact O-N 2.97Å; E552-N557 WeakPolarHBondContact OE2-CB 3.41Å; E552-N557 PolarHBondContact OE2-ND2 2.97Å; E552-E560 HydrophobicContact CG-CB 4.2Å; E552-E560 HydrophobicContact CG-CG 3.8Å; E552-A561 HydrophobicContact CB-CB 4.03Å; E552-L564 HydrophobicContact CG-CD1 3.93Å
553	R	94.3	Very high	93.1	Very high	114 Å²	114	50 Å²	50	43%	0.43	25%	0.247	S	C	.	.	H	α-helix	trans	-59.6	-37.2	174.8	-177.1	-165.3	61.6	162.8	-2	112.9	V549 L551 R555 L558 A561 V592	V549-R553 VanDerWaalsContact O-CB 3.23Å; V549-R553 WeakPolarHBondContact O-CB 3.43Å; V549-R553 PolarHBondContact O-N 3.12Å; V549-R553 VanDerWaalsContact O-N 3.1Å; L551-R553 VanDerWaalsContact C-N 3.31Å; L551-R553 PolarHBondContact O-N 2.97Å; R553-R555 VanDerWaalsContact C-N 3.3Å; R553-L558 HydrophobicContact CG-CD2 4.3Å; R553-A561 HydrophobicContact CB-CB 4.46Å; R553-V592 HydrophobicContact CG-CG1 4.34Å
554	R	93.1	Very high	93.5	Very high	119 Å²	119	48.7 Å²	48.7	45%	0.449	24%	0.241	S	C	.	.	H	α-helix	trans	-69.3	-28.2	175.5	-84.7	-171.5	-62.6	-86	-5.2	112.7	E519 S550 L551 E552	E519-R554 IonicContact OE1-CZ 2.77Å; E519-R554 IonicContact OE1-NE 3.82Å; E519-R554 PolarHBondContact OE1-NE 2.84Å; E519-R554 IonicContact OE1-NH2 3.63Å; E519-R554 PolarHBondContact OE1-NH2 3.42Å; E519-R554 IonicContact OE2-CZ 3.06Å; E519-R554 IonicContact OE2-NE 2.74Å; E519-R554 PolarHBondContact OE2-NE 3.02Å; E519-R554 IonicContact OE2-NH2 3.14Å; E519-R554 PolarHBondContact OE2-NH2 2.78Å; S550-R554 WeakPolarHBondContact O-CG 3.44Å; S550-R554 PolarHBondContact O-N 3.23Å; S550-R554 VanDerWaalsContact O-N 3.15Å; S550-R554 PolarHBondContact O-NH1 2.96Å; L551-R554 WeakPolarHBondContact O-CB 3.11Å; L551-R554 PolarHBondContact O-N 2.94Å; E552-R554 VanDerWaalsContact C-N 3.31Å; E552-R554 PolarHBondContact O-N 3.4Å
555	R	91	Very high	93.6	Very high	110 Å²	110	48.8 Å²	48.8	42%	0.415	24%	0.241	S	C	.	.	H	α-helix	trans	-91.5	-4	179.2	-58.9	-64.9	168.8	168.1	-1.4	113.9	E519 V524 L551 E552 R553	E519-R555 PolarHBondContact O-NH2 2.61Å; E519-R555 IonicContact OE1-NE 2.83Å; E519-R555 IonicContact OE1-NH2 3.76Å; V524-R555 HydrophobicContact CG1-CG 4.01Å; V524-R555 VanDerWaalsContact CG2-CZ 3.4Å; L551-R555 WeakPolarHBondContact O-CG 3.31Å; L551-R555 PolarHBondContact O-N 3.48Å; E552-R555 CarbonylContact O-C 3.41Å; E552-R555 PolarHBondContact O-N 2.69Å; R553-R555 VanDerWaalsContact C-N 3.3Å
556	G	91.1	Very high	93.7	Very high	51 Å²	51	51.9 Å²	51.9	53%	0.526	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	0.8	178.2	0	0	0	0	0	114.8	E552 L558	E552-G556 PolarHBondContact O-N 2.96Å; G556-L558 PolarHBondContact O-N 3.17Å
557	N	93.6	Very high	93.7	Very high	72 Å²	72	54.1 Å²	54.1	39%	0.385	27%	0.265	S	S	.	.			trans	-77.4	68.1	179.1	-72.9	-2.2	0	0	0	110.8	R528 E552 D559 E560 A561	R528-N557 PolarHBondContact NH2-ND2 2.76Å; E552-N557 HydrophobicContact CB-CB 3.97Å; E552-N557 PolarHBondContact O-N 2.97Å; E552-N557 WeakPolarHBondContact OE2-CB 3.41Å; E552-N557 PolarHBondContact OE2-ND2 2.97Å; N557-D559 PolarHBondContact O-N 3.4Å; N557-E560 HydrophobicContact CB-CB 4.21Å; N557-E560 PolarHBondContact O-N 2.71Å; N557-A561 WeakPolarHBondContact O-CB 3.45Å; N557-A561 PolarHBondContact O-N 2.88Å
558	L	93.2	Very high	93.5	Very high	53 Å²	53	50.1 Å²	50.1	28%	0.277	25%	0.249	S	C	.	.	H	α-helix	trans	-68.9	-31.2	-174.1	-60	-175	0	0	0	113.3	R553 G556 E562 V592 Q593	R553-L558 HydrophobicContact CG-CD2 4.3Å; G556-L558 PolarHBondContact O-N 3.17Å; L558-E562 WeakPolarHBondContact O-CB 3.41Å; L558-E562 PolarHBondContact O-N 2.91Å; L558-V592 HydrophobicContact CD1-CG1 4.26Å; L558-V592 HydrophobicContact CD2-CG1 3.7Å; L558-Q593 HydrophobicContact CD1-CG 4.25Å
559	D	93.5	Very high	93.3	Very high	126 Å²	126	49.8 Å²	49.8	67%	0.674	25%	0.25	S	S	*	.	H	α-helix	trans	-70.3	-40.7	177.2	-61.5	-62.9	0	0	0	111.9	N557 E562 A563	N557-D559 PolarHBondContact O-N 3.4Å; D559-E562 CarbonylContact O-C 3.42Å; D559-E562 PolarHBondContact O-N 3.09Å; D559-A563 WeakPolarHBondContact O-CB 3.33Å; D559-A563 PolarHBondContact O-N 2.74Å
560	E	94.2	Very high	93	Very high	93 Å²	93	56.9 Å²	56.9	44%	0.435	28%	0.283	S	S	.	.	H	α-helix	trans	-67	-42	173.3	-172.3	63.7	-161.9	0	0	110.9	E552 N557 E562 A563 L564	E552-E560 HydrophobicContact CG-CB 4.2Å; E552-E560 HydrophobicContact CG-CG 3.8Å; N557-E560 HydrophobicContact CB-CB 4.21Å; N557-E560 PolarHBondContact O-N 2.71Å; E560-E562 PolarHBondContact O-N 3.13Å; E560-A563 PolarHBondContact O-N 2.94Å; E560-A563 VanDerWaalsContact O-N 3.11Å; E560-L564 HydrophobicContact CG-CD1 4.15Å; E560-L564 HydrophobicContact CG-CG 4.34Å; E560-L564 WeakPolarHBondContact O-CB 3.46Å; E560-L564 VanDerWaalsContact O-CG 3.25Å; E560-L564 WeakPolarHBondContact O-CG 3.48Å; E560-L564 PolarHBondContact O-N 2.7Å
561	A	94.4	Very high	92.7	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.6	-28.7	173.3	0	0	0	0	0	113.1	V549 E552 R553 N557 L565	V549-A561 HydrophobicContact CG1-CB 4.34Å; E552-A561 HydrophobicContact CB-CB 4.03Å; R553-A561 HydrophobicContact CB-CB 4.46Å; N557-A561 WeakPolarHBondContact O-CB 3.45Å; N557-A561 PolarHBondContact O-N 2.88Å; A561-L565 WeakPolarHBondContact O-CG 3.18Å
562	E	94	Very high	92.3	Very high	20 Å²	20	59.2 Å²	59.2	9%	0.093	30%	0.298	C	S	.	.	H	α-helix	trans	-77.9	-39	171.4	170.7	169.1	162.6	0	0	111.8	L558 D559 E560 L565 K566 L585 L589 Q593 K598	L558-E562 WeakPolarHBondContact O-CB 3.41Å; L558-E562 PolarHBondContact O-N 2.91Å; D559-E562 CarbonylContact O-C 3.42Å; D559-E562 PolarHBondContact O-N 3.09Å; E560-E562 PolarHBondContact O-N 3.13Å; E562-L565 PolarHBondContact O-N 3.45Å; E562-K566 HydrophobicContact CG-CD 4.43Å; E562-K566 WeakPolarHBondContact O-CG 3.5Å; E562-K566 PolarHBondContact O-N 3.03Å; E562-K566 WeakPolarHBondContact OE1-CE 3.49Å; E562-K566 IonicContact OE1-NZ 2.68Å; E562-K566 PolarHBondContact OE1-NZ 3.04Å; E562-L585 HydrophobicContact CB-CD1 4.4Å; E562-L585 HydrophobicContact CG-CD1 3.96Å; E562-L589 WeakPolarHBondContact OE2-CD2 3.32Å; E562-Q593 PolarHBondContact OE2-NE2 2.9Å; E562-Q593 PolarHBondContact OE2-OE1 3.1Å; E562-K598 IonicContact OE1-NZ 3.31Å; E562-K598 IonicContact OE2-NZ 2.78Å; E562-K598 PolarHBondContact OE2-NZ 3Å
563	A	95.3	Very high	91.7	Very high	41 Å²	41	64.2 Å²	64.2	34%	0.339	33%	0.325	S	S	.	.	H	α-helix	trans	-64	-50.1	177.6	0	0	0	0	0	112.4	D559 E560 L565 K566 E567	D559-A563 WeakPolarHBondContact O-CB 3.33Å; D559-A563 PolarHBondContact O-N 2.74Å; E560-A563 PolarHBondContact O-N 2.94Å; E560-A563 VanDerWaalsContact O-N 3.11Å; A563-L565 PolarHBondContact O-N 3.31Å; A563-L565 VanDerWaalsContact O-N 3.15Å; A563-K566 WeakPolarHBondContact O-CA 3.29Å; A563-K566 WeakPolarHBondContact O-CB 3.28Å; A563-K566 PolarHBondContact O-N 2.83Å; A563-E567 PolarHBondContact O-N 3.22Å
564	L	94.2	Very high	91.2	Very high	3 Å²	3	62.8 Å²	62.8	2%	0.016	33%	0.326	C	S	.	.	H	α-helix	trans	-58.6	-27.7	178.3	-67.8	171.4	0	0	0	113.6	R548 V549 E552 E560 G568	R548-L564 HydrophobicContact CB-CD1 3.96Å; R548-L564 VanDerWaalsContact CZ-CD2 3.44Å; V549-L564 HydrophobicContact CG2-CB 3.6Å; V549-L564 HydrophobicContact CG2-CD1 4.2Å; E552-L564 HydrophobicContact CG-CD1 3.93Å; E560-L564 HydrophobicContact CG-CD1 4.15Å; E560-L564 HydrophobicContact CG-CG 4.34Å; E560-L564 WeakPolarHBondContact O-CB 3.46Å; E560-L564 VanDerWaalsContact O-CG 3.25Å; E560-L564 WeakPolarHBondContact O-CG 3.48Å; E560-L564 PolarHBondContact O-N 2.7Å; L564-G568 PolarHBondContact O-N 2.9Å; L564-G568 VanDerWaalsContact O-N 3.1Å
565	L	94.1	Very high	90.9	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-81.1	-29.7	174.6	-70.4	174.5	0	0	0	112.7	L546 V549 A561 E562 A563 G568 M569 Y581 K584 L585 H588	L546-L565 HydrophobicContact CD2-CD2 3.91Å; V549-L565 HydrophobicContact CG1-CD1 3.92Å; V549-L565 HydrophobicContact CG1-CD2 4.23Å; V549-L565 HydrophobicContact CG1-CG 4Å; V549-L565 HydrophobicContact CG2-CD2 3.83Å; V549-L565 HydrophobicContact CG2-CG 3.76Å; A561-L565 WeakPolarHBondContact O-CG 3.18Å; E562-L565 PolarHBondContact O-N 3.45Å; A563-L565 PolarHBondContact O-N 3.31Å; A563-L565 VanDerWaalsContact O-N 3.15Å; L565-G568 PolarHBondContact O-N 3.07Å; L565-M569 WeakPolarHBondContact O-CG 3.33Å; L565-M569 PolarHBondContact O-N 2.89Å; L565-Y581 HydrophobicContact CD2-CD1 4.31Å; L565-K584 HydrophobicContact CD2-CB 4.05Å; L565-L585 HydrophobicContact CB-CB 4.06Å; L565-L585 HydrophobicContact CB-CD1 4.2Å; L565-L585 HydrophobicContact CD1-CB 4.15Å; L565-L585 HydrophobicContact CD1-CD1 4.24Å; L565-H588 HydrophobicContact CD1-CB 4.29Å
566	K	93.4	Very high	90.6	Very high	81 Å²	81	62.7 Å²	62.7	35%	0.352	34%	0.336	S	S	.	.	H	α-helix	trans	-72.5	-46.2	172.2	-67.3	168.2	-173.9	166.8	0	111.2	E562 A563 G568 M569 E570 L585	E562-K566 HydrophobicContact CG-CD 4.43Å; E562-K566 WeakPolarHBondContact O-CG 3.5Å; E562-K566 PolarHBondContact O-N 3.03Å; E562-K566 WeakPolarHBondContact OE1-CE 3.49Å; E562-K566 IonicContact OE1-NZ 2.68Å; E562-K566 PolarHBondContact OE1-NZ 3.04Å; A563-K566 WeakPolarHBondContact O-CA 3.29Å; A563-K566 WeakPolarHBondContact O-CB 3.28Å; A563-K566 PolarHBondContact O-N 2.83Å; K566-G568 PolarHBondContact O-N 3.47Å; K566-M569 WeakPolarHBondContact O-CA 3.49Å; K566-M569 WeakPolarHBondContact O-CB 3.42Å; K566-M569 PolarHBondContact O-N 3.48Å; K566-E570 WeakPolarHBondContact O-CG 3.44Å; K566-E570 PolarHBondContact O-N 3.39Å; K566-L585 HydrophobicContact CG-CD2 3.88Å
567	E	92.3	Very high	90.3	Very high	77 Å²	77	61.3 Å²	61.3	36%	0.36	32%	0.316	S	S	.	.	H	α-helix	trans	-51.6	-40.9	167.5	-177.3	-172.5	-162.9	0	0	110.3	A563 E570 T571	A563-E567 PolarHBondContact O-N 3.22Å; E567-E570 PolarHBondContact O-N 3.27Å; E567-T571 HydrophobicContact CG-CG2 4.29Å; E567-T571 WeakPolarHBondContact O-CB 3.41Å; E567-T571 WeakPolarHBondContact O-CG2 3.44Å; E567-T571 PolarHBondContact O-N 3.47Å; E567-T571 PolarHBondContact O-OG1 3.44Å
568	G	88.9	Confident	90.1	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-56.7	-47.5	170.9	0	0	0	0	0	114.5	L564 L565 K566 E570 A572 Y581	L564-G568 PolarHBondContact O-N 2.9Å; L564-G568 VanDerWaalsContact O-N 3.1Å; L565-G568 PolarHBondContact O-N 3.07Å; K566-G568 PolarHBondContact O-N 3.47Å; G568-E570 VanDerWaalsContact C-N 3.32Å; G568-E570 PolarHBondContact O-N 2.61Å; G568-A572 PolarHBondContact O-N 3.17Å; G568-Y581 WeakPolarHBondContact O-CD2 3.19Å; G568-Y581 VanDerWaalsContact O-CE2 3.29Å; G568-Y581 WeakPolarHBondContact O-CE2 3.39Å
569	M	89.9	Confident	90	Very high	31 Å²	31	56.7 Å²	56.7	15%	0.153	29%	0.294	C	S	.	.	H	α-helix	trans	-67.4	-30.8	177.6	-68.5	171.2	59.3	0	0	113.3	L565 K566 S578 A582 L585	L565-M569 WeakPolarHBondContact O-CG 3.33Å; L565-M569 PolarHBondContact O-N 2.89Å; K566-M569 WeakPolarHBondContact O-CA 3.49Å; K566-M569 WeakPolarHBondContact O-CB 3.42Å; K566-M569 PolarHBondContact O-N 3.48Å; M569-S578 PolarHBondContact O-OG 3.01Å; M569-A582 HydrophobicContact CE-CB 3.76Å; M569-A582 HydrophobicContact CG-CB 4.41Å; M569-A582 HydrophobicContact SD-CB 3.89Å; M569-L585 HydrophobicContact SD-CD2 3.85Å
570	E	89.5	Confident	89.9	Confident	160 Å²	160	52.8 Å²	52.8	75%	0.748	27%	0.271	S	S	*	.	H	α-helix	trans	-85.4	-33.4	-176.7	-71	169.6	-165.5	0	0	113.1	K566 E567 G568	K566-E570 WeakPolarHBondContact O-CG 3.44Å; K566-E570 PolarHBondContact O-N 3.39Å; E567-E570 PolarHBondContact O-N 3.27Å; G568-E570 VanDerWaalsContact C-N 3.32Å; G568-E570 PolarHBondContact O-N 2.61Å
571	T	87.8	Confident	89.8	Confident	60 Å²	60	48.4 Å²	48.4	37%	0.368	25%	0.25	S	S	.	.	S	Bend	trans	-92	0.8	178.4	57.6	0	0	0	0	114.1	R545 E567	R545-T571 PolarHBondContact NH1-OG1 2.88Å; R545-T571 PolarHBondContact NH2-OG1 3.23Å; E567-T571 HydrophobicContact CG-CG2 4.29Å; E567-T571 WeakPolarHBondContact O-CB 3.41Å; E567-T571 WeakPolarHBondContact O-CG2 3.44Å; E567-T571 PolarHBondContact O-N 3.47Å; E567-T571 PolarHBondContact O-OG1 3.44Å
572	A	85.2	Confident	89.8	Confident	22 Å²	22	48.4 Å²	48.4	18%	0.182	25%	0.25	C	S	.	.			trans	-61.9	135.4	-179.8	0	0	0	0	0	112.8	G568 N574 E577	G568-A572 PolarHBondContact O-N 3.17Å; A572-N574 VanDerWaalsContact C-N 3.27Å; A572-N574 PolarHBondContact O-N 3.25Å; A572-E577 HydrophobicContact CB-CB 3.97Å; A572-E577 HydrophobicContact CB-CG 3.71Å
573	N	82.4	Confident	89.7	Confident	113 Å²	113	47.9 Å²	47.9	60%	0.604	25%	0.249	S	C	*	.	S	Bend	trans	-73.9	-17.8	-179.4	-68	-73.1	0	0	0	114	N540 E577	N540-N573 VanDerWaalsContact CB-ND2 3.3Å; N540-N573 WeakPolarHBondContact CB-ND2 3.35Å; N540-N573 PolarHBondContact ND2-ND2 2.96Å; N540-N573 PolarHBondContact OD1-ND2 3.25Å; N573-E577 PolarHBondContact N-OE2 2.96Å
574	N	84.2	Confident	89.6	Confident	85 Å²	85	47.3 Å²	47.3	46%	0.455	24%	0.239	S	C	.	.	S	Bend	trans	-154.5	161.3	-174.7	60.5	78.4	0	0	0	111.3	A572 M576 E577 S578	A572-N574 VanDerWaalsContact C-N 3.27Å; A572-N574 PolarHBondContact O-N 3.25Å; N574-M576 VanDerWaalsContact C-N 3.29Å; N574-M576 PolarHBondContact O-N 2.73Å; N574-M576 WeakPolarHBondContact OD1-CB 3.2Å; N574-M576 PolarHBondContact OD1-N 2.77Å; N574-E577 PolarHBondContact O-N 3.14Å; N574-E577 VanDerWaalsContact O-N 3.15Å; N574-E577 PolarHBondContact OD1-N 2.74Å; N574-S578 PolarHBondContact O-N 2.9Å
575	E	85.6	Confident	89.6	Confident	121 Å²	121	47.3 Å²	47.3	57%	0.565	24%	0.238	S	C	*	.	H	α-helix	trans	-56.5	-40.4	-179.4	-69.9	167.1	-161.3	0	0	112.3	E577 S578 S579 D610	E575-E577 VanDerWaalsContact C-N 3.33Å; E575-E577 PolarHBondContact O-N 2.9Å; E575-S578 PolarHBondContact O-N 2.94Å; E575-S579 WeakPolarHBondContact O-CB 3.34Å; E575-S579 PolarHBondContact O-N 3.28Å; E575-S579 PolarHBondContact O-OG 3.38Å; E575-S579 VanDerWaalsContact O-OG 3.09Å; E575-D610 HydrophobicContact CB-CB 4.27Å
576	M	85	Confident	89.6	Confident	105 Å²	105	47.3 Å²	47.3	52%	0.517	24%	0.239	S	C	.	.	H	α-helix	trans	-63.9	-36.4	179.4	-166.9	-171	-55.4	0	0	112.8	N574 F580	N574-M576 VanDerWaalsContact C-N 3.29Å; N574-M576 PolarHBondContact O-N 2.73Å; N574-M576 WeakPolarHBondContact OD1-CB 3.2Å; N574-M576 PolarHBondContact OD1-N 2.77Å; M576-F580 WeakPolarHBondContact O-CB 3.4Å; M576-F580 PolarHBondContact O-N 3.28Å
577	E	85.1	Confident	89.5	Confident	23 Å²	23	47.4 Å²	47.4	11%	0.107	24%	0.237	C	C	.	.	H	α-helix	trans	-71.1	-43.8	174.7	178.7	174.9	-158.1	0	0	111.4	A572 N573 N574 E575 S579 F580 Y581	A572-E577 HydrophobicContact CB-CB 3.97Å; A572-E577 HydrophobicContact CB-CG 3.71Å; N573-E577 PolarHBondContact N-OE2 2.96Å; N574-E577 PolarHBondContact O-N 3.14Å; N574-E577 VanDerWaalsContact O-N 3.15Å; N574-E577 PolarHBondContact OD1-N 2.74Å; E575-E577 VanDerWaalsContact C-N 3.33Å; E575-E577 PolarHBondContact O-N 2.9Å; E577-S579 PolarHBondContact O-N 3.02Å; E577-F580 WeakPolarHBondContact O-CB 3.25Å; E577-F580 PolarHBondContact O-N 3.47Å; E577-F580 VanDerWaalsContact O-N 3.15Å; E577-Y581 HydrophobicContact CG-CD2 3.94Å; E577-Y581 HydrophobicContact CG-CE2 3.43Å; E577-Y581 VanDerWaalsContact CG-CE2 3.43Å; E577-Y581 WeakPolarHBondContact O-CD2 3.35Å; E577-Y581 PolarHBondContact O-N 3.02Å; E577-Y581 WeakPolarHBondContact OE1-CE2 3.44Å; E577-Y581 PolarHBondContact OE1-OH 3.38Å
578	S	90.1	Very high	89.4	Confident	22 Å²	22	44.4 Å²	44.4	15%	0.154	22%	0.223	C	C	.	.	H	α-helix	trans	-62.4	-45.1	175.7	-162.8	0	0	0	0	111.2	M569 N574 E575 F580 Y581 A582	M569-S578 PolarHBondContact O-OG 3.01Å; N574-S578 PolarHBondContact O-N 2.9Å; E575-S578 PolarHBondContact O-N 2.94Å; S578-F580 VanDerWaalsContact C-N 3.29Å; S578-F580 PolarHBondContact O-N 2.94Å; S578-Y581 PolarHBondContact O-N 2.87Å; S578-A582 WeakPolarHBondContact O-CB 3.44Å; S578-A582 PolarHBondContact O-N 2.72Å
579	S	90.9	Very high	89.6	Confident	6 Å²	6	44.4 Å²	44.4	4%	0.042	22%	0.223	C	C	.	.	H	α-helix	trans	-58.3	-36.5	171.8	-73.5	0	0	0	0	113.1	E575 E577 V583 D610 L616	E575-S579 WeakPolarHBondContact O-CB 3.34Å; E575-S579 PolarHBondContact O-N 3.28Å; E575-S579 PolarHBondContact O-OG 3.38Å; E575-S579 VanDerWaalsContact O-OG 3.09Å; E577-S579 PolarHBondContact O-N 3.02Å; S579-V583 WeakPolarHBondContact O-CG2 3.41Å; S579-V583 PolarHBondContact O-N 3.03Å; S579-V583 VanDerWaalsContact O-N 3.08Å; S579-D610 WeakPolarHBondContact CB-OD2 3.39Å; S579-D610 VanDerWaalsContact OG-CB 3.3Å; S579-D610 WeakPolarHBondContact OG-CB 3.32Å; S579-D610 PolarHBondContact OG-OD2 2.91Å; S579-L616 WeakPolarHBondContact OG-CD1 3.37Å
580	F	90.9	Very high	89.6	Confident	43 Å²	43	44.1 Å²	44.1	19%	0.189	22%	0.223	C	C	.	.	H	α-helix	trans	-64.9	-49	173.8	164.3	-87.4	0	0	0	111.5	A542 L546 M576 E577 S578 A582 V583 K584 Y738	A542-F580 HydrophobicContact CB-CE1 4Å; L546-F580 HydrophobicContact CD1-CE1 4.42Å; L546-F580 HydrophobicContact CD1-CZ 3.96Å; M576-F580 WeakPolarHBondContact O-CB 3.4Å; M576-F580 PolarHBondContact O-N 3.28Å; E577-F580 WeakPolarHBondContact O-CB 3.25Å; E577-F580 PolarHBondContact O-N 3.47Å; E577-F580 VanDerWaalsContact O-N 3.15Å; S578-F580 VanDerWaalsContact C-N 3.29Å; S578-F580 PolarHBondContact O-N 2.94Å; F580-A582 VanDerWaalsContact C-N 3.32Å; F580-A582 PolarHBondContact O-N 2.68Å; F580-V583 PolarHBondContact O-N 2.84Å; F580-K584 HydrophobicContact CE1-CG 4.18Å; F580-K584 HydrophobicContact CZ-CD 4.46Å; F580-K584 VanDerWaalsContact CZ-CE 3.42Å; F580-K584 HydrophobicContact CZ-CG 4.22Å; F580-K584 WeakPolarHBondContact O-CG 3.33Å; F580-K584 PolarHBondContact O-N 2.78Å; F580-K584 VanDerWaalsContact O-N 3.09Å; F580-Y738 HydrophobicContact CE2-CD1 4.03Å; F580-Y738 AromaticContact CE2-CE1 3.79Å; F580-Y738 HydrophobicContact CE2-CE1 3.79Å; F580-Y738 HydrophobicContact CZ-CD1 4.28Å; F580-Y738 AromaticContact CZ-CE1 3.57Å; F580-Y738 HydrophobicContact CZ-CE1 3.57Å; F580-Y738 AromaticContact CZ-CZ 3.7Å
581	Y	92.9	Very high	89.6	Confident	1 Å²	1	43.3 Å²	43.3	0%	0.004	22%	0.217	C	C	.	.	H	α-helix	trans	-64.8	-36.6	177.6	-67.4	-66.9	0	0	0	111.8	A542 R545 L565 G568 E577 S578 V583 K584 L585	A542-Y581 WeakPolarHBondContact CA-OH 3.41Å; A542-Y581 HydrophobicContact CB-CE1 4.23Å; A542-Y581 VanDerWaalsContact CB-OH 3.32Å; A542-Y581 WeakPolarHBondContact CB-OH 3.46Å; R545-Y581 HydrophobicContact CB-CE1 4.42Å; R545-Y581 HydrophobicContact CG-CE1 4.32Å; L565-Y581 HydrophobicContact CD2-CD1 4.31Å; G568-Y581 WeakPolarHBondContact O-CD2 3.19Å; G568-Y581 VanDerWaalsContact O-CE2 3.29Å; G568-Y581 WeakPolarHBondContact O-CE2 3.39Å; E577-Y581 HydrophobicContact CG-CD2 3.94Å; E577-Y581 HydrophobicContact CG-CE2 3.43Å; E577-Y581 VanDerWaalsContact CG-CE2 3.43Å; E577-Y581 WeakPolarHBondContact O-CD2 3.35Å; E577-Y581 PolarHBondContact O-N 3.02Å; E577-Y581 WeakPolarHBondContact OE1-CE2 3.44Å; E577-Y581 PolarHBondContact OE1-OH 3.38Å; S578-Y581 PolarHBondContact O-N 2.87Å; Y581-V583 PolarHBondContact O-N 3.21Å; Y581-K584 PolarHBondContact O-N 3.18Å; Y581-K584 VanDerWaalsContact O-N 3.1Å; Y581-L585 WeakPolarHBondContact O-CB 3.34Å; Y581-L585 PolarHBondContact O-N 2.79Å
582	A	93.4	Very high	89.6	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.5	-43.9	173.4	0	0	0	0	0	112.6	M569 S578 F580 K584 L585 A586 V602 A606 L616	M569-A582 HydrophobicContact CE-CB 3.76Å; M569-A582 HydrophobicContact CG-CB 4.41Å; M569-A582 HydrophobicContact SD-CB 3.89Å; S578-A582 WeakPolarHBondContact O-CB 3.44Å; S578-A582 PolarHBondContact O-N 2.72Å; F580-A582 VanDerWaalsContact C-N 3.32Å; F580-A582 PolarHBondContact O-N 2.68Å; A582-K584 PolarHBondContact O-N 2.87Å; A582-L585 PolarHBondContact O-N 3.45Å; A582-A586 WeakPolarHBondContact O-CB 3.24Å; A582-A586 PolarHBondContact O-N 3.29Å; A582-V602 HydrophobicContact CB-CG1 4.33Å; A582-A606 HydrophobicContact CB-CB 3.6Å; A582-L616 HydrophobicContact CB-CD2 4.29Å
583	V	93.2	Very high	89.8	Confident	10 Å²	10	44.1 Å²	44.1	6%	0.061	22%	0.216	C	C	.	.	H	α-helix	trans	-61.8	-40.9	173.2	165.8	0	0	0	0	111.7	S579 F580 Y581 R587 L603 L616 N619	S579-V583 WeakPolarHBondContact O-CG2 3.41Å; S579-V583 PolarHBondContact O-N 3.03Å; S579-V583 VanDerWaalsContact O-N 3.08Å; F580-V583 PolarHBondContact O-N 2.84Å; Y581-V583 PolarHBondContact O-N 3.21Å; V583-R587 WeakPolarHBondContact O-CB 3.47Å; V583-R587 WeakPolarHBondContact O-CG 3.49Å; V583-R587 PolarHBondContact O-N 3.45Å; V583-L603 HydrophobicContact CG2-CD2 4.34Å; V583-L616 HydrophobicContact CG2-CD2 3.97Å; V583-N619 HydrophobicContact CG1-CB 4.47Å; V583-N619 WeakPolarHBondContact CG1-OD1 3.36Å; V583-N619 HydrophobicContact CG2-CB 4.2Å
584	K	93.1	Very high	90.2	Very high	29 Å²	29	49.4 Å²	49.4	13%	0.126	23%	0.228	C	C	.	.	H	α-helix	trans	-66.7	-40.4	177.2	-60.9	-62.6	179.4	179	0	111.7	L546 L565 F580 Y581 A582 R587 H588 Y742	L546-K584 HydrophobicContact CD1-CD 4.16Å; L546-K584 HydrophobicContact CD1-CG 4.37Å; L546-K584 HydrophobicContact CD2-CB 4.44Å; L546-K584 HydrophobicContact CD2-CG 4.18Å; L565-K584 HydrophobicContact CD2-CB 4.05Å; F580-K584 HydrophobicContact CE1-CG 4.18Å; F580-K584 HydrophobicContact CZ-CD 4.46Å; F580-K584 VanDerWaalsContact CZ-CE 3.42Å; F580-K584 HydrophobicContact CZ-CG 4.22Å; F580-K584 WeakPolarHBondContact O-CG 3.33Å; F580-K584 PolarHBondContact O-N 2.78Å; F580-K584 VanDerWaalsContact O-N 3.09Å; Y581-K584 PolarHBondContact O-N 3.18Å; Y581-K584 VanDerWaalsContact O-N 3.1Å; A582-K584 PolarHBondContact O-N 2.87Å; K584-R587 PolarHBondContact O-N 3.24Å; K584-H588 PolarHBondContact O-N 3Å; K584-Y742 PolarHBondContact NZ-OH 3.48Å
585	L	93.9	Very high	90.5	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-64.5	-50.3	176.4	178.3	54.6	0	0	0	111.5	E562 L565 K566 M569 Y581 A582 R587 H588 L589 V602	E562-L585 HydrophobicContact CB-CD1 4.4Å; E562-L585 HydrophobicContact CG-CD1 3.96Å; L565-L585 HydrophobicContact CB-CB 4.06Å; L565-L585 HydrophobicContact CB-CD1 4.2Å; L565-L585 HydrophobicContact CD1-CB 4.15Å; L565-L585 HydrophobicContact CD1-CD1 4.24Å; K566-L585 HydrophobicContact CG-CD2 3.88Å; M569-L585 HydrophobicContact SD-CD2 3.85Å; Y581-L585 WeakPolarHBondContact O-CB 3.34Å; Y581-L585 PolarHBondContact O-N 2.79Å; A582-L585 PolarHBondContact O-N 3.45Å; L585-R587 VanDerWaalsContact C-N 3.31Å; L585-R587 PolarHBondContact O-N 3.01Å; L585-H588 WeakPolarHBondContact O-CB 3.43Å; L585-H588 PolarHBondContact O-N 3.48Å; L585-H588 VanDerWaalsContact O-N 3.14Å; L585-L589 HydrophobicContact CD1-CD1 3.86Å; L585-L589 HydrophobicContact CD1-CG 3.96Å; L585-L589 HydrophobicContact CG-CD1 3.84Å; L585-L589 HydrophobicContact CG-CG 4.41Å; L585-L589 WeakPolarHBondContact O-CB 3.24Å; L585-L589 VanDerWaalsContact O-CG 3.23Å; L585-L589 WeakPolarHBondContact O-CG 3.47Å; L585-L589 PolarHBondContact O-N 3.22Å; L585-V602 HydrophobicContact CB-CG1 4.17Å; L585-V602 HydrophobicContact CD2-CG1 3.88Å; L585-V602 HydrophobicContact CD2-CG2 3.91Å; L585-V602 HydrophobicContact CG-CG1 3.99Å; L585-V602 HydrophobicContact CG-CG2 4.2Å
586	A	93.3	Very high	90.5	Very high	3 Å²	3	44.3 Å²	44.3	3%	0.025	21%	0.207	C	C	.	.	H	α-helix	trans	-57.4	-43.2	175.9	0	0	0	0	0	112.1	A582 L589 V590 A599 V602 L603	A582-A586 WeakPolarHBondContact O-CB 3.24Å; A582-A586 PolarHBondContact O-N 3.29Å; A586-L589 PolarHBondContact O-N 3.34Å; A586-V590 WeakPolarHBondContact O-CG2 3.49Å; A586-V590 PolarHBondContact O-N 2.81Å; A586-A599 HydrophobicContact CB-CB 4.22Å; A586-A599 WeakPolarHBondContact O-CB 3.46Å; A586-V602 HydrophobicContact CB-CG1 4.4Å; A586-L603 HydrophobicContact CB-CD1 3.87Å; A586-L603 HydrophobicContact CB-CD2 3.67Å; A586-L603 HydrophobicContact CB-CG 3.53Å
587	R	91.4	Very high	90.8	Very high	83 Å²	83	43.8 Å²	43.8	31%	0.313	21%	0.213	S	C	.	.	H	α-helix	trans	-64.6	-39	175.6	-75.4	178.4	171.4	-133	-7.6	113	V583 K584 L585 K591 N619 E622	V583-R587 WeakPolarHBondContact O-CB 3.47Å; V583-R587 WeakPolarHBondContact O-CG 3.49Å; V583-R587 PolarHBondContact O-N 3.45Å; K584-R587 PolarHBondContact O-N 3.24Å; L585-R587 VanDerWaalsContact C-N 3.31Å; L585-R587 PolarHBondContact O-N 3.01Å; R587-K591 WeakPolarHBondContact O-CB 3.38Å; R587-K591 PolarHBondContact O-N 3.33Å; R587-N619 PolarHBondContact NE-OD1 2.87Å; R587-N619 PolarHBondContact NH2-OD1 3.32Å; R587-N619 VanDerWaalsContact NH2-OD1 3.13Å; R587-E622 IonicContact CZ-OE1 2.76Å; R587-E622 IonicContact CZ-OE2 3.38Å; R587-E622 VanDerWaalsContact NH2-CD 3.29Å; R587-E622 IonicContact NH2-OE1 3.96Å; R587-E622 PolarHBondContact NH2-OE1 3.24Å; R587-E622 VanDerWaalsContact NH2-OE1 3.14Å; R587-E622 IonicContact NH2-OE2 3.14Å; R587-E622 PolarHBondContact NH2-OE2 3.19Å
588	H	91.6	Very high	91.1	Very high	13 Å²	13	46.5 Å²	46.5	6%	0.06	22%	0.224	C	C	.	.	H	α-helix	trans	-61	-49.5	171.8	179.4	110.5	0	0	0	110.9	L565 K584 L585 V590 V592 Q593	L565-H588 HydrophobicContact CD1-CB 4.29Å; K584-H588 PolarHBondContact O-N 3Å; L585-H588 WeakPolarHBondContact O-CB 3.43Å; L585-H588 PolarHBondContact O-N 3.48Å; L585-H588 VanDerWaalsContact O-N 3.14Å; H588-V590 PolarHBondContact O-N 2.86Å; H588-V592 WeakPolarHBondContact O-CA 3.4Å; H588-V592 VanDerWaalsContact O-CB 3.24Å; H588-V592 WeakPolarHBondContact O-CB 3.34Å; H588-V592 PolarHBondContact O-N 3.32Å; H588-Q593 PolarHBondContact O-N 3.35Å
589	L	91.6	Very high	91.1	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-60	-45.3	-178	-71.6	169.4	0	0	0	112.6	E562 L585 A586 Q593 R594 S595 K598 A599 V602	E562-L589 WeakPolarHBondContact OE2-CD2 3.32Å; L585-L589 HydrophobicContact CD1-CD1 3.86Å; L585-L589 HydrophobicContact CD1-CG 3.96Å; L585-L589 HydrophobicContact CG-CD1 3.84Å; L585-L589 HydrophobicContact CG-CG 4.41Å; L585-L589 WeakPolarHBondContact O-CB 3.24Å; L585-L589 VanDerWaalsContact O-CG 3.23Å; L585-L589 WeakPolarHBondContact O-CG 3.47Å; L585-L589 PolarHBondContact O-N 3.22Å; A586-L589 PolarHBondContact O-N 3.34Å; L589-Q593 CarbonylContact O-C 3.58Å; L589-Q593 WeakPolarHBondContact O-CB 3.33Å; L589-Q593 PolarHBondContact O-N 3.41Å; L589-R594 PolarHBondContact O-N 3.08Å; L589-S595 PolarHBondContact O-N 3.35Å; L589-K598 HydrophobicContact CD1-CB 3.99Å; L589-K598 HydrophobicContact CD2-CB 4.12Å; L589-K598 HydrophobicContact CD2-CD 3.55Å; L589-K598 HydrophobicContact CG-CB 4.47Å; L589-A599 HydrophobicContact CB-CB 3.78Å; L589-A599 HydrophobicContact CD1-CB 4.48Å; L589-V602 HydrophobicContact CD1-CB 4.44Å; L589-V602 HydrophobicContact CD1-CG2 3.8Å
590	V	90.9	Very high	91.2	Very high	25 Å²	25	47.3 Å²	47.3	15%	0.152	22%	0.224	C	C	.	.	H	α-helix	trans	-71.4	-55.1	175.7	-177	0	0	0	0	111.8	A586 H588 R594 L596 A599 L623	A586-V590 WeakPolarHBondContact O-CG2 3.49Å; A586-V590 PolarHBondContact O-N 2.81Å; H588-V590 PolarHBondContact O-N 2.86Å; V590-R594 VanDerWaalsContact O-CA 3.26Å; V590-R594 WeakPolarHBondContact O-CA 3.3Å; V590-R594 PolarHBondContact O-N 3.18Å; V590-L596 HydrophobicContact CG1-CD1 4.35Å; V590-L596 HydrophobicContact CG2-CD1 4.26Å; V590-A599 HydrophobicContact CG2-CB 3.32Å; V590-L623 HydrophobicContact CG2-CD1 3.72Å; V590-L623 HydrophobicContact CG2-CG 4.15Å
591	K	88.9	Confident	91.3	Very high	142 Å²	142	51.2 Å²	51.2	62%	0.617	24%	0.242	S	C	*	.	H	α-helix	trans	-85.5	-17	-165	-55.6	-63.2	-177.2	-173.1	0	113.9	R587	R587-K591 WeakPolarHBondContact O-CB 3.38Å; R587-K591 PolarHBondContact O-N 3.33Å
592	V	88.9	Confident	91.4	Very high	54 Å²	54	52.2 Å²	52.2	33%	0.327	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-60.8	176.5	-168.4	0	0	0	0	110.9	R553 L558 H588 R594	R553-V592 HydrophobicContact CG-CG1 4.34Å; L558-V592 HydrophobicContact CD1-CG1 4.26Å; L558-V592 HydrophobicContact CD2-CG1 3.7Å; H588-V592 WeakPolarHBondContact O-CA 3.4Å; H588-V592 VanDerWaalsContact O-CB 3.24Å; H588-V592 WeakPolarHBondContact O-CB 3.34Å; H588-V592 PolarHBondContact O-N 3.32Å; V592-R594 VanDerWaalsContact C-N 3.29Å; V592-R594 PolarHBondContact O-N 3Å
593	Q	89.4	Confident	91.4	Very high	45 Å²	45	52.3 Å²	52.3	21%	0.21	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-7.5	-178.1	-64.4	-175.2	20.2	0	0	114.4	L558 E562 H588 L589 S595	L558-Q593 HydrophobicContact CD1-CG 4.25Å; E562-Q593 PolarHBondContact OE2-NE2 2.9Å; E562-Q593 PolarHBondContact OE2-OE1 3.1Å; H588-Q593 PolarHBondContact O-N 3.35Å; L589-Q593 CarbonylContact O-C 3.58Å; L589-Q593 WeakPolarHBondContact O-CB 3.33Å; L589-Q593 PolarHBondContact O-N 3.41Å; Q593-S595 PolarHBondContact O-N 3.16Å; Q593-S595 VanDerWaalsContact O-N 3.17Å
594	R	89.1	Confident	91.4	Very high	225 Å²	225	53.9 Å²	53.9	85%	0.849	26%	0.256	S	S	*	.			trans	56.9	23.2	-175	-55.9	-175.6	179	-170.4	-0.7	114.5	L589 V590 V592 L596	L589-R594 PolarHBondContact O-N 3.08Å; V590-R594 VanDerWaalsContact O-CA 3.26Å; V590-R594 WeakPolarHBondContact O-CA 3.3Å; V590-R594 PolarHBondContact O-N 3.18Å; V592-R594 VanDerWaalsContact C-N 3.29Å; V592-R594 PolarHBondContact O-N 3Å; R594-L596 PolarHBondContact O-N 3.22Å
595	S	90.4	Very high	91.4	Very high	28 Å²	28	55.6 Å²	55.6	20%	0.196	27%	0.266	C	S	.	.			trans	-99.8	83	-174.3	-162.6	0	0	0	0	112	L589 Q593 S597 K598 A599	L589-S595 PolarHBondContact O-N 3.35Å; Q593-S595 PolarHBondContact O-N 3.16Å; Q593-S595 VanDerWaalsContact O-N 3.17Å; S595-S597 VanDerWaalsContact C-N 3.34Å; S595-S597 PolarHBondContact O-N 3.31Å; S595-K598 WeakPolarHBondContact OG-CB 3.15Å; S595-K598 WeakPolarHBondContact OG-CG 3.38Å; S595-A599 WeakPolarHBondContact O-CB 3.43Å; S595-A599 PolarHBondContact O-N 2.85Å; S595-A599 VanDerWaalsContact O-N 3.16Å
596	L	87.6	Confident	91.3	Very high	71 Å²	71	55.7 Å²	55.7	37%	0.372	27%	0.267	S	S	.	.	H	α-helix	trans	-59.2	-42.2	-179.5	-165.2	73.9	0	0	0	112.4	V590 R594 A599 K600 L623	V590-L596 HydrophobicContact CG1-CD1 4.35Å; V590-L596 HydrophobicContact CG2-CD1 4.26Å; R594-L596 PolarHBondContact O-N 3.22Å; L596-A599 PolarHBondContact O-N 3.05Å; L596-K600 WeakPolarHBondContact O-CB 3.42Å; L596-K600 PolarHBondContact O-N 2.77Å; L596-L623 HydrophobicContact CD1-CD1 4.34Å; L596-L623 HydrophobicContact CD1-CD2 3.52Å; L596-L623 HydrophobicContact CD1-CG 3.66Å; L596-L623 HydrophobicContact CG-CD2 3.96Å
597	S	89.3	Confident	91.3	Very high	94 Å²	94	56 Å²	56	66%	0.657	27%	0.268	S	S	*	.	H	α-helix	trans	-68.5	-43.5	-178	52.4	0	0	0	0	113.2	S595 A599 K601	S595-S597 VanDerWaalsContact C-N 3.34Å; S595-S597 PolarHBondContact O-N 3.31Å; S597-A599 VanDerWaalsContact C-N 3.32Å; S597-A599 PolarHBondContact O-N 2.68Å; S597-K601 PolarHBondContact O-N 3.27Å
598	K	91.8	Very high	91.3	Very high	79 Å²	79	59.1 Å²	59.1	34%	0.343	29%	0.287	S	S	.	.	H	α-helix	trans	-57.2	-47.3	171	-79.8	-172.8	173.4	-171.9	0	110.5	E562 L589 S595 K601 V602	E562-K598 IonicContact OE1-NZ 3.31Å; E562-K598 IonicContact OE2-NZ 2.78Å; E562-K598 PolarHBondContact OE2-NZ 3Å; L589-K598 HydrophobicContact CD1-CB 3.99Å; L589-K598 HydrophobicContact CD2-CB 4.12Å; L589-K598 HydrophobicContact CD2-CD 3.55Å; L589-K598 HydrophobicContact CG-CB 4.47Å; S595-K598 WeakPolarHBondContact OG-CB 3.15Å; S595-K598 WeakPolarHBondContact OG-CG 3.38Å; K598-K601 PolarHBondContact O-N 2.72Å; K598-V602 WeakPolarHBondContact O-CG2 3.49Å; K598-V602 PolarHBondContact O-N 3.11Å
599	A	91.6	Very high	91.1	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-66.5	-43.7	-176.4	0	0	0	0	0	113.2	A586 L589 V590 S595 L596 S597 K601 V602 L603 L623	A586-A599 HydrophobicContact CB-CB 4.22Å; A586-A599 WeakPolarHBondContact O-CB 3.46Å; L589-A599 HydrophobicContact CB-CB 3.78Å; L589-A599 HydrophobicContact CD1-CB 4.48Å; V590-A599 HydrophobicContact CG2-CB 3.32Å; S595-A599 WeakPolarHBondContact O-CB 3.43Å; S595-A599 PolarHBondContact O-N 2.85Å; S595-A599 VanDerWaalsContact O-N 3.16Å; L596-A599 PolarHBondContact O-N 3.05Å; S597-A599 VanDerWaalsContact C-N 3.32Å; S597-A599 PolarHBondContact O-N 2.68Å; A599-K601 VanDerWaalsContact C-N 3.31Å; A599-K601 PolarHBondContact O-N 2.99Å; A599-V602 PolarHBondContact O-N 2.85Å; A599-L603 PolarHBondContact O-N 3.01Å; A599-L623 HydrophobicContact CB-CD1 3.7Å
600	K	91.1	Very high	91	Very high	45 Å²	45	65.7 Å²	65.7	20%	0.196	32%	0.315	C	S	.	.	H	α-helix	trans	-58.5	-43.6	173.9	-176.8	169.9	-173.2	154.1	0	111	L596 L603 L604 L620 L623 E624 E635	L596-K600 WeakPolarHBondContact O-CB 3.42Å; L596-K600 PolarHBondContact O-N 2.77Å; K600-L603 PolarHBondContact O-N 3.33Å; K600-L604 HydrophobicContact CG-CD1 4.08Å; K600-L604 WeakPolarHBondContact O-CG 3.48Å; K600-L604 PolarHBondContact O-N 2.91Å; K600-L620 HydrophobicContact CG-CD1 4.07Å; K600-L623 HydrophobicContact CB-CD1 4.4Å; K600-L623 HydrophobicContact CB-CD2 4.23Å; K600-E624 WeakPolarHBondContact CD-OE1 3.49Å; K600-E624 WeakPolarHBondContact CE-OE1 3.48Å; K600-E624 VanDerWaalsContact NZ-CD 3.29Å; K600-E624 IonicContact NZ-OE1 3.38Å; K600-E624 PolarHBondContact NZ-OE1 2.77Å; K600-E624 IonicContact NZ-OE2 2.94Å; K600-E624 PolarHBondContact NZ-OE2 3.43Å; K600-E635 IonicContact NZ-OE2 2.68Å; K600-E635 PolarHBondContact NZ-OE2 3.31Å
601	K	93.9	Very high	90.9	Very high	126 Å²	126	69 Å²	69	55%	0.548	33%	0.329	S	S	.	.	H	α-helix	trans	-59.1	-52.3	173.2	-178.7	174.8	171.7	175.9	0	111.7	S597 K598 A599 L603 L604 D605	S597-K601 PolarHBondContact O-N 3.27Å; K598-K601 PolarHBondContact O-N 2.72Å; A599-K601 VanDerWaalsContact C-N 3.31Å; A599-K601 PolarHBondContact O-N 2.99Å; K601-L603 PolarHBondContact O-N 3.28Å; K601-L604 PolarHBondContact O-N 3.35Å; K601-D605 VanDerWaalsContact CE-OD1 3.32Å; K601-D605 WeakPolarHBondContact CE-OD1 3.33Å; K601-D605 WeakPolarHBondContact CE-OD2 3.44Å; K601-D605 VanDerWaalsContact CG-OD1 3.3Å; K601-D605 WeakPolarHBondContact CG-OD1 3.22Å; K601-D605 IonicContact NZ-OD2 3.9Å; K601-D605 WeakPolarHBondContact O-CB 3.36Å; K601-D605 VanDerWaalsContact O-CG 3.29Å; K601-D605 PolarHBondContact O-N 3.23Å
602	V	94.7	Very high	90.9	Very high	21 Å²	21	66.5 Å²	66.5	13%	0.127	33%	0.326	C	S	.	.	H	α-helix	trans	-55.1	-38.3	179.7	166.5	0	0	0	0	112.7	A582 L585 A586 L589 K598 A599 A606	A582-V602 HydrophobicContact CB-CG1 4.33Å; L585-V602 HydrophobicContact CB-CG1 4.17Å; L585-V602 HydrophobicContact CD2-CG1 3.88Å; L585-V602 HydrophobicContact CD2-CG2 3.91Å; L585-V602 HydrophobicContact CG-CG1 3.99Å; L585-V602 HydrophobicContact CG-CG2 4.2Å; A586-V602 HydrophobicContact CB-CG1 4.4Å; L589-V602 HydrophobicContact CD1-CB 4.44Å; L589-V602 HydrophobicContact CD1-CG2 3.8Å; K598-V602 WeakPolarHBondContact O-CG2 3.49Å; K598-V602 PolarHBondContact O-N 3.11Å; A599-V602 PolarHBondContact O-N 2.85Å; V602-A606 VanDerWaalsContact O-CB 3.28Å; V602-A606 WeakPolarHBondContact O-CB 3.2Å; V602-A606 PolarHBondContact O-N 3.1Å; V602-A606 VanDerWaalsContact O-N 3.15Å
603	L	93.4	Very high	91	Very high	2 Å²	2	64.7 Å²	64.7	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-72.6	-36.9	176.4	-67.4	174.5	0	0	0	112.9	V583 A586 A599 K600 K601 A606 I607 L616 N619 L620 L623	V583-L603 HydrophobicContact CG2-CD2 4.34Å; A586-L603 HydrophobicContact CB-CD1 3.87Å; A586-L603 HydrophobicContact CB-CD2 3.67Å; A586-L603 HydrophobicContact CB-CG 3.53Å; A599-L603 PolarHBondContact O-N 3.01Å; K600-L603 PolarHBondContact O-N 3.33Å; K601-L603 PolarHBondContact O-N 3.28Å; L603-A606 PolarHBondContact O-N 3.13Å; L603-I607 WeakPolarHBondContact O-CB 3.48Å; L603-I607 WeakPolarHBondContact O-CD1 3.26Å; L603-I607 WeakPolarHBondContact O-CG1 3.45Å; L603-I607 PolarHBondContact O-N 3.29Å; L603-L616 HydrophobicContact CD2-CD2 4.1Å; L603-N619 HydrophobicContact CD1-CB 4.28Å; L603-N619 HydrophobicContact CD2-CB 4.34Å; L603-L620 HydrophobicContact CB-CB 4.42Å; L603-L620 HydrophobicContact CB-CD1 4.28Å; L603-L620 HydrophobicContact CD1-CB 4.08Å; L603-L620 HydrophobicContact CD1-CD1 4.33Å; L603-L623 HydrophobicContact CD1-CD1 4.09Å
604	L	93.1	Very high	91	Very high	43 Å²	43	64.3 Å²	64.3	23%	0.225	32%	0.318	C	S	.	.	H	α-helix	trans	-68.9	-48.1	175.3	-69.3	169.7	0	0	0	111.6	K600 K601 A606 I607 E608 L620	K600-L604 HydrophobicContact CG-CD1 4.08Å; K600-L604 WeakPolarHBondContact O-CG 3.48Å; K600-L604 PolarHBondContact O-N 2.91Å; K601-L604 PolarHBondContact O-N 3.35Å; L604-A606 PolarHBondContact O-N 3.24Å; L604-A606 VanDerWaalsContact O-N 3.16Å; L604-I607 PolarHBondContact O-N 3.03Å; L604-E608 PolarHBondContact O-N 3.45Å; L604-L620 HydrophobicContact CD2-CD2 3.91Å
605	D	93	Very high	91	Very high	65 Å²	65	60.1 Å²	60.1	35%	0.348	30%	0.302	S	S	.	.	H	α-helix	trans	-57.3	-28.1	174.7	-67.3	10	0	0	0	112.2	K601	K601-D605 VanDerWaalsContact CE-OD1 3.32Å; K601-D605 WeakPolarHBondContact CE-OD1 3.33Å; K601-D605 WeakPolarHBondContact CE-OD2 3.44Å; K601-D605 VanDerWaalsContact CG-OD1 3.3Å; K601-D605 WeakPolarHBondContact CG-OD1 3.22Å; K601-D605 IonicContact NZ-OD2 3.9Å; K601-D605 WeakPolarHBondContact O-CB 3.36Å; K601-D605 VanDerWaalsContact O-CG 3.29Å; K601-D605 PolarHBondContact O-N 3.23Å
606	A	92.8	Very high	91.1	Very high	4 Å²	4	58.8 Å²	58.8	3%	0.033	29%	0.293	C	S	.	.	H	α-helix	trans	-83	-39.6	173.7	0	0	0	0	0	112.8	A582 V602 L603 L604 E608 K609 D610 L616	A582-A606 HydrophobicContact CB-CB 3.6Å; V602-A606 VanDerWaalsContact O-CB 3.28Å; V602-A606 WeakPolarHBondContact O-CB 3.2Å; V602-A606 PolarHBondContact O-N 3.1Å; V602-A606 VanDerWaalsContact O-N 3.15Å; L603-A606 PolarHBondContact O-N 3.13Å; L604-A606 PolarHBondContact O-N 3.24Å; L604-A606 VanDerWaalsContact O-N 3.16Å; A606-E608 VanDerWaalsContact C-N 3.27Å; A606-E608 PolarHBondContact O-N 3.11Å; A606-K609 WeakPolarHBondContact O-CB 3.48Å; A606-K609 PolarHBondContact O-N 3.39Å; A606-K609 VanDerWaalsContact O-N 3.09Å; A606-D610 PolarHBondContact O-N 3.03Å; A606-L616 HydrophobicContact CB-CD1 4.01Å; A606-L616 HydrophobicContact CB-CD2 3.81Å
607	I	92.8	Very high	91.3	Very high	9 Å²	9	55.8 Å²	55.8	5%	0.046	28%	0.277	C	S	.	.	H	α-helix	trans	-62.3	-34.3	175.3	-76.2	164.7	0	0	0	111.4	L603 L604 K609 D610 Q611 L616 Y617 L620	L603-I607 WeakPolarHBondContact O-CB 3.48Å; L603-I607 WeakPolarHBondContact O-CD1 3.26Å; L603-I607 WeakPolarHBondContact O-CG1 3.45Å; L603-I607 PolarHBondContact O-N 3.29Å; L604-I607 PolarHBondContact O-N 3.03Å; I607-K609 PolarHBondContact O-N 3.27Å; I607-D610 CarbonylContact O-C 3.59Å; I607-Q611 WeakPolarHBondContact O-CG 3.44Å; I607-Q611 PolarHBondContact O-N 2.91Å; I607-L616 HydrophobicContact CD1-CB 4.22Å; I607-L616 HydrophobicContact CG1-CB 3.64Å; I607-L616 HydrophobicContact CG1-CD1 3.99Å; I607-L616 HydrophobicContact CG1-CG 4.41Å; I607-Y617 HydrophobicContact CD1-CD1 3.86Å; I607-Y617 HydrophobicContact CD1-CE1 3.98Å; I607-Y617 HydrophobicContact CD1-CG 4.41Å; I607-Y617 HydrophobicContact CG1-CD1 4.4Å; I607-Y617 HydrophobicContact CG1-CE1 4.19Å; I607-Y617 HydrophobicContact CG2-CE1 3.63Å; I607-Y617 WeakPolarHBondContact CG2-OH 3.37Å; I607-L620 HydrophobicContact CD1-CB 4.49Å; I607-L620 HydrophobicContact CD1-CD2 3.77Å
608	E	90.9	Very high	91.3	Very high	150 Å²	150	54.1 Å²	54.1	70%	0.701	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-29.3	175.3	-72.9	-177.4	-178.2	0	0	112.6	L604 A606	L604-E608 PolarHBondContact O-N 3.45Å; A606-E608 VanDerWaalsContact C-N 3.27Å; A606-E608 PolarHBondContact O-N 3.11Å
609	K	88.6	Confident	91.3	Very high	146 Å²	146	51.3 Å²	51.3	64%	0.635	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-49.1	176.4	-60.8	176.9	-176.4	-176.7	0	112.3	A606 I607	A606-K609 WeakPolarHBondContact O-CB 3.48Å; A606-K609 PolarHBondContact O-N 3.39Å; A606-K609 VanDerWaalsContact O-N 3.09Å; I607-K609 PolarHBondContact O-N 3.27Å
610	D	88.6	Confident	91.3	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.027	25%	0.249	C	C	.	.			trans	-119.1	91.4	-178.6	177.5	-0.3	0	0	0	110.4	E575 S579 A606 I607 T612 S613 L616	E575-D610 HydrophobicContact CB-CB 4.27Å; S579-D610 WeakPolarHBondContact CB-OD2 3.39Å; S579-D610 VanDerWaalsContact OG-CB 3.3Å; S579-D610 WeakPolarHBondContact OG-CB 3.32Å; S579-D610 PolarHBondContact OG-OD2 2.91Å; A606-D610 PolarHBondContact O-N 3.03Å; I607-D610 CarbonylContact O-C 3.59Å; D610-T612 PolarHBondContact O-N 3.41Å; D610-T612 WeakPolarHBondContact OD1-CA 3.32Å; D610-T612 PolarHBondContact OD1-N 3.1Å; D610-T612 PolarHBondContact OD1-OG1 3.41Å; D610-S613 VanDerWaalsContact CG-CB 3.45Å; D610-S613 WeakPolarHBondContact OD1-CB 3.42Å; D610-S613 PolarHBondContact OD1-N 3.18Å; D610-S613 WeakPolarHBondContact OD2-CB 3.24Å; D610-L616 HydrophobicContact CB-CD1 4.16Å
611	Q	89.6	Confident	91.3	Very high	95 Å²	95	49.8 Å²	49.8	44%	0.444	24%	0.242	S	C	.	.	S	Bend	trans	-82.5	4	177.9	-60.1	175.8	33.8	0	0	112.7	I607 P647	I607-Q611 WeakPolarHBondContact O-CG 3.44Å; I607-Q611 PolarHBondContact O-N 2.91Å; Q611-P647 HydrophobicContact CB-CG 3.63Å
612	T	89.2	Confident	91	Very high	89 Å²	89	47.8 Å²	47.8	55%	0.546	24%	0.235	S	C	.	.	S	Bend	trans	-109	-17.5	-174.3	72.7	0	0	0	0	113.2	D610 S614 L648	D610-T612 PolarHBondContact O-N 3.41Å; D610-T612 WeakPolarHBondContact OD1-CA 3.32Å; D610-T612 PolarHBondContact OD1-N 3.1Å; D610-T612 PolarHBondContact OD1-OG1 3.41Å; T612-S614 PolarHBondContact O-N 3.35Å; T612-L648 WeakPolarHBondContact O-CD2 3.42Å
613	S	89.6	Confident	90.7	Very high	16 Å²	16	47.2 Å²	47.2	11%	0.112	23%	0.231	C	C	.	.			trans	-78.4	99.1	177.1	172.8	0	0	0	0	112.1	D610 R615 L616 Y617	D610-S613 VanDerWaalsContact CG-CB 3.45Å; D610-S613 WeakPolarHBondContact OD1-CB 3.42Å; D610-S613 PolarHBondContact OD1-N 3.18Å; D610-S613 WeakPolarHBondContact OD2-CB 3.24Å; S613-R615 PolarHBondContact O-N 3.38Å; S613-L616 PolarHBondContact O-N 3.05Å; S613-Y617 WeakPolarHBondContact O-CD2 3.38Å
614	S	89.9	Confident	90.4	Very high	37 Å²	37	47.3 Å²	47.3	26%	0.259	23%	0.232	S	C	.	.	H	α-helix	trans	-53.8	-27.4	170.1	58.4	0	0	0	0	112.5	T612 L616 Y617 L618	T612-S614 PolarHBondContact O-N 3.35Å; S614-L616 PolarHBondContact O-N 3.48Å; S614-Y617 PolarHBondContact O-N 3.13Å; S614-L618 WeakPolarHBondContact O-CB 3.49Å; S614-L618 VanDerWaalsContact O-CG 3.26Å; S614-L618 WeakPolarHBondContact O-CG 3.45Å; S614-L618 PolarHBondContact O-N 2.92Å
615	R	88.9	Confident	90	Very high	138 Å²	138	48 Å²	48	52%	0.521	23%	0.233	S	C	.	.	H	α-helix	trans	-62.3	-37	176.7	-65.1	177.8	173.6	170.2	-1.9	112.8	S613 N619	S613-R615 PolarHBondContact O-N 3.38Å; R615-N619 PolarHBondContact O-N 2.97Å; R615-N619 VanDerWaalsContact O-N 3.07Å; R615-N619 PolarHBondContact O-ND2 2.9Å
616	L	92	Very high	89.5	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.1	-52.3	177.4	-72.9	174.5	0	0	0	110.8	S579 A582 V583 L603 A606 I607 D610 S613 S614 L618 N619 L620	S579-L616 WeakPolarHBondContact OG-CD1 3.37Å; A582-L616 HydrophobicContact CB-CD2 4.29Å; V583-L616 HydrophobicContact CG2-CD2 3.97Å; L603-L616 HydrophobicContact CD2-CD2 4.1Å; A606-L616 HydrophobicContact CB-CD1 4.01Å; A606-L616 HydrophobicContact CB-CD2 3.81Å; I607-L616 HydrophobicContact CD1-CB 4.22Å; I607-L616 HydrophobicContact CG1-CB 3.64Å; I607-L616 HydrophobicContact CG1-CD1 3.99Å; I607-L616 HydrophobicContact CG1-CG 4.41Å; D610-L616 HydrophobicContact CB-CD1 4.16Å; S613-L616 PolarHBondContact O-N 3.05Å; S614-L616 PolarHBondContact O-N 3.48Å; L616-L618 VanDerWaalsContact C-N 3.29Å; L616-L618 PolarHBondContact O-N 2.78Å; L616-N619 PolarHBondContact O-N 2.85Å; L616-N619 VanDerWaalsContact O-N 3.15Å; L616-L620 PolarHBondContact O-N 2.71Å
617	Y	91.8	Very high	88.9	Confident	8 Å²	8	49.3 Å²	49.3	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-58.7	-39	176.7	-61.9	-77	0	0	0	112.5	I607 S613 S614 L620 L621 R642 A643 S646 L648 F656	I607-Y617 HydrophobicContact CD1-CD1 3.86Å; I607-Y617 HydrophobicContact CD1-CE1 3.98Å; I607-Y617 HydrophobicContact CD1-CG 4.41Å; I607-Y617 HydrophobicContact CG1-CD1 4.4Å; I607-Y617 HydrophobicContact CG1-CE1 4.19Å; I607-Y617 HydrophobicContact CG2-CE1 3.63Å; I607-Y617 WeakPolarHBondContact CG2-OH 3.37Å; S613-Y617 WeakPolarHBondContact O-CD2 3.38Å; S614-Y617 PolarHBondContact O-N 3.13Å; Y617-L620 PolarHBondContact O-N 2.64Å; Y617-L621 WeakPolarHBondContact O-CB 3.36Å; Y617-L621 PolarHBondContact O-N 3.28Å; Y617-R642 HydrophobicContact CE1-CG 4.09Å; Y617-A643 HydrophobicContact CD1-CB 4.06Å; Y617-A643 HydrophobicContact CG-CB 4.16Å; Y617-S646 VanDerWaalsContact OH-CB 3.31Å; Y617-S646 WeakPolarHBondContact OH-CB 3.4Å; Y617-L648 HydrophobicContact CD2-CD1 3.72Å; Y617-L648 HydrophobicContact CD2-CD2 4.25Å; Y617-L648 HydrophobicContact CD2-CG 4.15Å; Y617-L648 HydrophobicContact CE2-CD1 4Å; Y617-L648 HydrophobicContact CE2-CD2 4.26Å; Y617-L648 HydrophobicContact CE2-CG 4Å; Y617-L648 HydrophobicContact CG-CD1 4.34Å; Y617-F656 VanDerWaalsContact CB-CZ 3.47Å
618	L	90.7	Very high	88.5	Confident	58 Å²	58	52.5 Å²	52.5	30%	0.304	27%	0.27	S	S	.	.	H	α-helix	trans	-64.2	-41	175.5	-77.2	175	0	0	0	112.7	S614 L616 L621 E622 F656	S614-L618 WeakPolarHBondContact O-CB 3.49Å; S614-L618 VanDerWaalsContact O-CG 3.26Å; S614-L618 WeakPolarHBondContact O-CG 3.45Å; S614-L618 PolarHBondContact O-N 2.92Å; L616-L618 VanDerWaalsContact C-N 3.29Å; L616-L618 PolarHBondContact O-N 2.78Å; L618-L621 PolarHBondContact O-N 3.12Å; L618-E622 WeakPolarHBondContact O-CB 3.47Å; L618-E622 PolarHBondContact O-N 3.01Å; L618-F656 HydrophobicContact CD2-CE1 3.93Å; L618-F656 HydrophobicContact CD2-CZ 3.74Å; L618-F656 HydrophobicContact CG-CE1 4.37Å; L618-F656 HydrophobicContact CG-CE2 4.48Å; L618-F656 HydrophobicContact CG-CZ 3.74Å
619	N	91.4	Very high	88.2	Confident	20 Å²	20	46.6 Å²	46.6	11%	0.107	25%	0.245	C	C	.	.	H	α-helix	trans	-74.8	-29.1	178.5	-80.7	-99.1	0	0	0	112.4	V583 R587 L603 R615 L616 E622 L623	V583-N619 HydrophobicContact CG1-CB 4.47Å; V583-N619 WeakPolarHBondContact CG1-OD1 3.36Å; V583-N619 HydrophobicContact CG2-CB 4.2Å; R587-N619 PolarHBondContact NE-OD1 2.87Å; R587-N619 PolarHBondContact NH2-OD1 3.32Å; R587-N619 VanDerWaalsContact NH2-OD1 3.13Å; L603-N619 HydrophobicContact CD1-CB 4.28Å; L603-N619 HydrophobicContact CD2-CB 4.34Å; R615-N619 PolarHBondContact O-N 2.97Å; R615-N619 VanDerWaalsContact O-N 3.07Å; R615-N619 PolarHBondContact O-ND2 2.9Å; L616-N619 PolarHBondContact O-N 2.85Å; L616-N619 VanDerWaalsContact O-N 3.15Å; N619-E622 PolarHBondContact OD1-OE2 3.45Å; N619-L623 WeakPolarHBondContact O-CB 3.42Å; N619-L623 PolarHBondContact O-N 2.91Å
620	L	91.3	Very high	87.8	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-68.3	-42.2	171.5	-179.4	63	0	0	0	110.5	K600 L603 L604 I607 L616 Y617 L623 E624	K600-L620 HydrophobicContact CG-CD1 4.07Å; L603-L620 HydrophobicContact CB-CB 4.42Å; L603-L620 HydrophobicContact CB-CD1 4.28Å; L603-L620 HydrophobicContact CD1-CB 4.08Å; L603-L620 HydrophobicContact CD1-CD1 4.33Å; L604-L620 HydrophobicContact CD2-CD2 3.91Å; I607-L620 HydrophobicContact CD1-CB 4.49Å; I607-L620 HydrophobicContact CD1-CD2 3.77Å; L616-L620 PolarHBondContact O-N 2.71Å; Y617-L620 PolarHBondContact O-N 2.64Å; L620-L623 WeakPolarHBondContact O-CB 3.31Å; L620-L623 PolarHBondContact O-N 3.36Å; L620-E624 PolarHBondContact O-N 2.78Å
621	L	90.4	Very high	87.5	Confident	11 Å²	11	52 Å²	52	6%	0.058	27%	0.273	C	S	.	.	H	α-helix	trans	-62	-48.5	173.9	-165.2	72.6	0	0	0	111.5	Y617 L618 L623 E624 F625 I636 C639 F640 F656	Y617-L621 WeakPolarHBondContact O-CB 3.36Å; Y617-L621 PolarHBondContact O-N 3.28Å; L618-L621 PolarHBondContact O-N 3.12Å; L621-L623 PolarHBondContact O-N 3.22Å; L621-E624 PolarHBondContact O-N 2.82Å; L621-F625 HydrophobicContact CD1-CD2 4.15Å; L621-F625 HydrophobicContact CD1-CE2 3.89Å; L621-F625 HydrophobicContact CD2-CE2 4.31Å; L621-F625 HydrophobicContact CG-CD2 3.85Å; L621-F625 HydrophobicContact CG-CE2 3.84Å; L621-F625 WeakPolarHBondContact O-CB 3.45Å; L621-F625 WeakPolarHBondContact O-CD2 3.35Å; L621-F625 PolarHBondContact O-N 2.64Å; L621-I636 HydrophobicContact CD1-CG2 4.23Å; L621-C639 HydrophobicContact CD1-CB 3.94Å; L621-F640 HydrophobicContact CD1-CD1 4.15Å; L621-F640 HydrophobicContact CD1-CD2 4.08Å; L621-F640 HydrophobicContact CD1-CE1 3.95Å; L621-F640 HydrophobicContact CD1-CE2 3.9Å; L621-F640 HydrophobicContact CD1-CG 4.21Å; L621-F640 HydrophobicContact CD1-CZ 3.83Å; L621-F640 HydrophobicContact CD2-CD1 4.3Å; L621-F640 HydrophobicContact CD2-CE1 3.55Å; L621-F640 HydrophobicContact CD2-CZ 3.76Å; L621-F640 HydrophobicContact CG-CE1 4.4Å; L621-F640 HydrophobicContact CG-CZ 4.35Å; L621-F656 HydrophobicContact CD2-CE1 4.26Å
622	E	88.4	Confident	87.3	Confident	84 Å²	84	49.1 Å²	49.1	39%	0.393	26%	0.261	S	S	.	.	H	α-helix	trans	-56	-35.2	174.6	-176.1	-171.2	169.9	0	0	112.6	R587 L618 N619 S626	R587-E622 IonicContact CZ-OE1 2.76Å; R587-E622 IonicContact CZ-OE2 3.38Å; R587-E622 VanDerWaalsContact NH2-CD 3.29Å; R587-E622 IonicContact NH2-OE1 3.96Å; R587-E622 PolarHBondContact NH2-OE1 3.24Å; R587-E622 VanDerWaalsContact NH2-OE1 3.14Å; R587-E622 IonicContact NH2-OE2 3.14Å; R587-E622 PolarHBondContact NH2-OE2 3.19Å; L618-E622 WeakPolarHBondContact O-CB 3.47Å; L618-E622 PolarHBondContact O-N 3.01Å; N619-E622 PolarHBondContact OD1-OE2 3.45Å; E622-S626 WeakPolarHBondContact O-CB 3.47Å; E622-S626 PolarHBondContact O-N 3.44Å
623	L	87.9	Confident	87.2	Confident	9 Å²	9	46.5 Å²	46.5	5%	0.047	24%	0.243	C	C	.	.	H	α-helix	trans	-66.1	-50.8	176.9	179.8	156.1	0	0	0	111.3	V590 L596 A599 K600 L603 N619 L620 L621 S626	V590-L623 HydrophobicContact CG2-CD1 3.72Å; V590-L623 HydrophobicContact CG2-CG 4.15Å; L596-L623 HydrophobicContact CD1-CD1 4.34Å; L596-L623 HydrophobicContact CD1-CD2 3.52Å; L596-L623 HydrophobicContact CD1-CG 3.66Å; L596-L623 HydrophobicContact CG-CD2 3.96Å; A599-L623 HydrophobicContact CB-CD1 3.7Å; K600-L623 HydrophobicContact CB-CD1 4.4Å; K600-L623 HydrophobicContact CB-CD2 4.23Å; L603-L623 HydrophobicContact CD1-CD1 4.09Å; N619-L623 WeakPolarHBondContact O-CB 3.42Å; N619-L623 PolarHBondContact O-N 2.91Å; L620-L623 WeakPolarHBondContact O-CB 3.31Å; L620-L623 PolarHBondContact O-N 3.36Å; L621-L623 PolarHBondContact O-N 3.22Å; L623-S626 PolarHBondContact O-N 3.13Å; L623-S626 PolarHBondContact O-OG 3.11Å
624	E	86.9	Confident	87.2	Confident	4 Å²	4	49.2 Å²	49.2	2%	0.019	27%	0.266	C	S	.	.	H	α-helix	trans	-66.2	-41.6	179.1	-56	-55.8	154.3	0	0	112.2	K600 L620 L621 S626 G627 N632 E635 I636	K600-E624 WeakPolarHBondContact CD-OE1 3.49Å; K600-E624 WeakPolarHBondContact CE-OE1 3.48Å; K600-E624 VanDerWaalsContact NZ-CD 3.29Å; K600-E624 IonicContact NZ-OE1 3.38Å; K600-E624 PolarHBondContact NZ-OE1 2.77Å; K600-E624 IonicContact NZ-OE2 2.94Å; K600-E624 PolarHBondContact NZ-OE2 3.43Å; L620-E624 PolarHBondContact O-N 2.78Å; L621-E624 PolarHBondContact O-N 2.82Å; E624-S626 PolarHBondContact O-N 3.21Å; E624-G627 PolarHBondContact O-N 2.81Å; E624-N632 PolarHBondContact O-ND2 2.91Å; E624-E635 HydrophobicContact CG-CB 4.33Å; E624-I636 HydrophobicContact CB-CG1 3.66Å
625	F	85.2	Confident	87.1	Confident	57 Å²	57	51.6 Å²	51.6	25%	0.25	27%	0.273	C	S	.	.	H	α-helix	trans	-63.9	-17.7	174.9	-93.4	-90.3	0	0	0	113.7	L621 G627 V629 I636 F640 F663	L621-F625 HydrophobicContact CD1-CD2 4.15Å; L621-F625 HydrophobicContact CD1-CE2 3.89Å; L621-F625 HydrophobicContact CD2-CE2 4.31Å; L621-F625 HydrophobicContact CG-CD2 3.85Å; L621-F625 HydrophobicContact CG-CE2 3.84Å; L621-F625 WeakPolarHBondContact O-CB 3.45Å; L621-F625 WeakPolarHBondContact O-CD2 3.35Å; L621-F625 PolarHBondContact O-N 2.64Å; F625-G627 VanDerWaalsContact C-N 3.29Å; F625-G627 PolarHBondContact O-N 3.06Å; F625-V629 HydrophobicContact CD1-CG2 4.48Å; F625-I636 HydrophobicContact CD2-CD1 4.2Å; F625-I636 HydrophobicContact CD2-CG1 4.2Å; F625-I636 HydrophobicContact CD2-CG2 4.06Å; F625-I636 HydrophobicContact CE2-CD1 4.4Å; F625-I636 HydrophobicContact CE2-CG1 4.41Å; F625-I636 HydrophobicContact CE2-CG2 3.46Å; F625-I636 VanDerWaalsContact CE2-CG2 3.46Å; F625-I636 HydrophobicContact CG-CD1 4.29Å; F625-I636 HydrophobicContact CZ-CG2 3.96Å; F625-F640 HydrophobicContact CE2-CE2 4.17Å; F625-F640 HydrophobicContact CE2-CZ 4.17Å; F625-F640 HydrophobicContact CZ-CE2 4.46Å; F625-F640 HydrophobicContact CZ-CZ 4.47Å; F625-F663 AromaticContact CE1-CD2 3.66Å; F625-F663 HydrophobicContact CE1-CD2 3.66Å; F625-F663 HydrophobicContact CE1-CE2 4.01Å; F625-F663 HydrophobicContact CE2-CD2 4.33Å; F625-F663 HydrophobicContact CZ-CB 4.27Å; F625-F663 AromaticContact CZ-CD2 3.33Å; F625-F663 HydrophobicContact CZ-CD2 3.33Å; F625-F663 AromaticContact CZ-CE2 3.89Å; F625-F663 HydrophobicContact CZ-CE2 3.89Å; F625-F663 AromaticContact CZ-CG 3.95Å; F625-F663 HydrophobicContact CZ-CG 3.95Å
626	S	82.9	Confident	87.1	Confident	58 Å²	58	45 Å²	45	41%	0.406	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-1.5	178.2	76.1	0	0	0	0	114.7	E622 L623 E624	E622-S626 WeakPolarHBondContact O-CB 3.47Å; E622-S626 PolarHBondContact O-N 3.44Å; L623-S626 PolarHBondContact O-N 3.13Å; L623-S626 PolarHBondContact O-OG 3.11Å; E624-S626 PolarHBondContact O-N 3.21Å
627	G	79.8	Confident	87	Confident	39 Å²	39	46.8 Å²	46.8	40%	0.402	26%	0.257	S	S	.	.	S	Bend	trans	-95.9	-157.1	168.9	0	0	0	0	0	113	E624 F625 V629	E624-G627 PolarHBondContact O-N 2.81Å; F625-G627 VanDerWaalsContact C-N 3.29Å; F625-G627 PolarHBondContact O-N 3.06Å; G627-V629 PolarHBondContact O-N 2.94Å
628	D	83.8	Confident	87	Confident	76 Å²	76	48.1 Å²	48.1	41%	0.406	27%	0.27	S	S	.	.			trans	-75.3	114.5	167.9	-179.8	-33.8	0	0	0	108.9	M630 Q631 N632	D628-M630 VanDerWaalsContact C-N 3.25Å; D628-M630 PolarHBondContact O-N 3.19Å; D628-M630 WeakPolarHBondContact OD1-CA 3.42Å; D628-M630 WeakPolarHBondContact OD1-CB 3.23Å; D628-M630 PolarHBondContact OD1-N 3.07Å; D628-Q631 HydrophobicContact CB-CB 4.02Å; D628-Q631 HydrophobicContact CB-CG 4Å; D628-Q631 PolarHBondContact O-N 2.93Å; D628-Q631 PolarHBondContact OD1-N 2.7Å; D628-Q631 VanDerWaalsContact OD1-N 3.14Å; D628-Q631 PolarHBondContact OD2-NE2 3.09Å; D628-N632 VanDerWaalsContact O-CB 3.29Å; D628-N632 WeakPolarHBondContact O-CB 3.3Å; D628-N632 PolarHBondContact O-N 2.94Å
629	V	84.8	Confident	87	Confident	27 Å²	27	45.6 Å²	45.6	16%	0.164	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-32.1	-175.7	-177.7	0	0	0	0	112.7	F625 G627 Q633 I636 F663 F667	F625-V629 HydrophobicContact CD1-CG2 4.48Å; G627-V629 PolarHBondContact O-N 2.94Å; V629-Q633 WeakPolarHBondContact O-CA 3.25Å; V629-Q633 PolarHBondContact O-N 3.38Å; V629-Q633 VanDerWaalsContact O-N 3.13Å; V629-I636 HydrophobicContact CG1-CD1 4.16Å; V629-F663 HydrophobicContact CG1-CE2 3.61Å; V629-F663 HydrophobicContact CG1-CZ 4.35Å; V629-F667 HydrophobicContact CG1-CB 4.38Å; V629-F667 HydrophobicContact CG1-CD1 4.23Å; V629-F667 HydrophobicContact CG1-CD2 4.18Å; V629-F667 HydrophobicContact CG1-CG 3.99Å
630	M	80.5	Confident	87	Confident	110 Å²	110	44.7 Å²	44.7	54%	0.542	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-38.1	178.8	-64.7	-67.3	168.2	0	0	111.5	D628 Q633 F667	D628-M630 VanDerWaalsContact C-N 3.25Å; D628-M630 PolarHBondContact O-N 3.19Å; D628-M630 WeakPolarHBondContact OD1-CA 3.42Å; D628-M630 WeakPolarHBondContact OD1-CB 3.23Å; D628-M630 PolarHBondContact OD1-N 3.07Å; M630-Q633 WeakPolarHBondContact O-CB 3.46Å; M630-F667 HydrophobicContact CE-CB 4.03Å; M630-F667 HydrophobicContact CE-CD1 3.83Å; M630-F667 HydrophobicContact CE-CG 4.42Å
631	Q	83.4	Confident	87.1	Confident	154 Å²	154	46.4 Å²	46.4	72%	0.72	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-37.5	175.2	-62.8	-179.8	51.3	0	0	111.6	D628 Q633	D628-Q631 HydrophobicContact CB-CB 4.02Å; D628-Q631 HydrophobicContact CB-CG 4Å; D628-Q631 PolarHBondContact O-N 2.93Å; D628-Q631 PolarHBondContact OD1-N 2.7Å; D628-Q631 VanDerWaalsContact OD1-N 3.14Å; D628-Q631 PolarHBondContact OD2-NE2 3.09Å; Q631-Q633 VanDerWaalsContact C-N 3.33Å
632	N	85.5	Confident	87.2	Confident	34 Å²	34	50.8 Å²	50.8	18%	0.182	28%	0.277	C	S	.	.	S	Bend	trans	-85.7	1.4	-179.8	-68.4	-5.3	0	0	0	113.6	E624 D628 A634 E635 I636	E624-N632 PolarHBondContact O-ND2 2.91Å; D628-N632 VanDerWaalsContact O-CB 3.29Å; D628-N632 WeakPolarHBondContact O-CB 3.3Å; D628-N632 PolarHBondContact O-N 2.94Å; N632-A634 PolarHBondContact O-N 3.5Å; N632-A634 VanDerWaalsContact O-N 3.1Å; N632-E635 PolarHBondContact O-N 3.26Å; N632-I636 HydrophobicContact CB-CD1 4.08Å; N632-I636 HydrophobicContact CB-CG1 4.28Å; N632-I636 WeakPolarHBondContact O-CG1 3.21Å; N632-I636 PolarHBondContact O-N 3.01Å
633	Q	87	Confident	87.3	Confident	35 Å²	35	46.8 Å²	46.8	16%	0.164	26%	0.258	C	S	.	.	H	α-helix	trans	-49.4	-43.3	-173.5	-166.7	-162	-4.8	0	0	112.8	V629 M630 Q631 L637 F663 S669	V629-Q633 WeakPolarHBondContact O-CA 3.25Å; V629-Q633 PolarHBondContact O-N 3.38Å; V629-Q633 VanDerWaalsContact O-N 3.13Å; M630-Q633 WeakPolarHBondContact O-CB 3.46Å; Q631-Q633 VanDerWaalsContact C-N 3.33Å; Q633-L637 HydrophobicContact CG-CD1 4.41Å; Q633-L637 VanDerWaalsContact O-CG 3.3Å; Q633-L637 WeakPolarHBondContact O-CG 3.38Å; Q633-L637 PolarHBondContact O-N 3.43Å; Q633-F663 HydrophobicContact CG-CE1 4.12Å; Q633-F663 HydrophobicContact CG-CZ 3.95Å; Q633-S669 PolarHBondContact NE2-OG 2.88Å; Q633-S669 PolarHBondContact OE1-OG 3.31Å
634	A	87.8	Confident	87.5	Confident	73 Å²	73	46.9 Å²	46.9	60%	0.603	26%	0.259	S	S	*	.	H	α-helix	trans	-66.9	-38.8	178.7	0	0	0	0	0	113.3	N632 A638	N632-A634 PolarHBondContact O-N 3.5Å; N632-A634 VanDerWaalsContact O-N 3.1Å; A634-A638 WeakPolarHBondContact O-CB 3.45Å; A634-A638 PolarHBondContact O-N 3.08Å
635	E	87.9	Confident	87.7	Confident	86 Å²	86	55.5 Å²	55.5	40%	0.402	29%	0.291	S	S	.	.	H	α-helix	trans	-74.1	-37.2	178.2	-67.6	-64.8	148.1	0	0	111.6	K600 E624 N632 A638 C639	K600-E635 IonicContact NZ-OE2 2.68Å; K600-E635 PolarHBondContact NZ-OE2 3.31Å; E624-E635 HydrophobicContact CG-CB 4.33Å; N632-E635 PolarHBondContact O-N 3.26Å; E635-A638 PolarHBondContact O-N 3.18Å; E635-C639 PolarHBondContact O-N 2.72Å; E635-C639 PolarHBondContact O-SG 2.7Å
636	I	89.5	Confident	88	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.6	-48.3	172.5	-67.9	168.2	0	0	0	110.1	L621 E624 F625 V629 N632 A638 C639 F640 F663	L621-I636 HydrophobicContact CD1-CG2 4.23Å; E624-I636 HydrophobicContact CB-CG1 3.66Å; F625-I636 HydrophobicContact CD2-CD1 4.2Å; F625-I636 HydrophobicContact CD2-CG1 4.2Å; F625-I636 HydrophobicContact CD2-CG2 4.06Å; F625-I636 HydrophobicContact CE2-CD1 4.4Å; F625-I636 HydrophobicContact CE2-CG1 4.41Å; F625-I636 HydrophobicContact CE2-CG2 3.46Å; F625-I636 VanDerWaalsContact CE2-CG2 3.46Å; F625-I636 HydrophobicContact CG-CD1 4.29Å; F625-I636 HydrophobicContact CZ-CG2 3.96Å; V629-I636 HydrophobicContact CG1-CD1 4.16Å; N632-I636 HydrophobicContact CB-CD1 4.08Å; N632-I636 HydrophobicContact CB-CG1 4.28Å; N632-I636 WeakPolarHBondContact O-CG1 3.21Å; N632-I636 PolarHBondContact O-N 3.01Å; I636-A638 PolarHBondContact O-N 3.38Å; I636-C639 WeakPolarHBondContact O-CB 3.18Å; I636-C639 PolarHBondContact O-N 2.97Å; I636-C639 VanDerWaalsContact O-N 3.13Å; I636-F640 HydrophobicContact CG2-CD2 3.9Å; I636-F640 HydrophobicContact CG2-CE2 3.59Å; I636-F640 VanDerWaalsContact O-CD2 3.31Å; I636-F640 WeakPolarHBondContact O-CD2 3.27Å; I636-F640 PolarHBondContact O-N 2.82Å; I636-F663 HydrophobicContact CB-CE1 4.21Å; I636-F663 HydrophobicContact CB-CZ 4.03Å; I636-F663 HydrophobicContact CD1-CE2 4.01Å; I636-F663 HydrophobicContact CD1-CZ 3.97Å; I636-F663 HydrophobicContact CG2-CD1 3.9Å; I636-F663 HydrophobicContact CG2-CD2 4.19Å; I636-F663 HydrophobicContact CG2-CE1 3.61Å; I636-F663 HydrophobicContact CG2-CE2 3.92Å; I636-F663 HydrophobicContact CG2-CG 4.18Å; I636-F663 HydrophobicContact CG2-CZ 3.62Å
637	L	90.7	Very high	88.4	Confident	38 Å²	38	54.5 Å²	54.5	20%	0.199	29%	0.289	C	S	.	.	H	α-helix	trans	-63.7	-39.5	175.5	-68.8	172.3	0	0	0	112.2	Q633 C639 F640 D641 F663 L664	Q633-L637 HydrophobicContact CG-CD1 4.41Å; Q633-L637 VanDerWaalsContact O-CG 3.3Å; Q633-L637 WeakPolarHBondContact O-CG 3.38Å; Q633-L637 PolarHBondContact O-N 3.43Å; L637-C639 PolarHBondContact O-N 3.03Å; L637-F640 PolarHBondContact O-N 2.83Å; L637-D641 WeakPolarHBondContact O-CB 3.46Å; L637-D641 PolarHBondContact O-N 3.11Å; L637-F663 HydrophobicContact CD2-CD1 3.97Å; L637-F663 HydrophobicContact CD2-CE1 3.95Å; L637-F663 HydrophobicContact CG-CE1 4.02Å; L637-L664 HydrophobicContact CD1-CD2 4.33Å; L637-L664 HydrophobicContact CD2-CD1 4Å; L637-L664 HydrophobicContact CD2-CD2 3.96Å; L637-L664 HydrophobicContact CD2-CG 4Å
638	A	91.2	Very high	88.9	Confident	35 Å²	35	52.8 Å²	52.8	29%	0.289	27%	0.271	S	S	.	.	H	α-helix	trans	-65	-26.5	173.8	0	0	0	0	0	113.3	A634 E635 I636 R642	A634-A638 WeakPolarHBondContact O-CB 3.45Å; A634-A638 PolarHBondContact O-N 3.08Å; E635-A638 PolarHBondContact O-N 3.18Å; I636-A638 PolarHBondContact O-N 3.38Å; A638-R642 WeakPolarHBondContact O-CB 3.3Å; A638-R642 PolarHBondContact O-N 2.95Å; A638-R642 PolarHBondContact O-NH1 2.86Å; A638-R642 VanDerWaalsContact O-NH1 3.12Å
639	C	90.8	Very high	89.2	Confident	5 Å²	5	52.4 Å²	52.4	3%	0.034	27%	0.274	C	S	.	.	H	α-helix	trans	-74.8	-44.6	172.5	-67.7	0	0	0	0	111.8	L621 E635 I636 L637 R642 A643	L621-C639 HydrophobicContact CD1-CB 3.94Å; E635-C639 PolarHBondContact O-N 2.72Å; E635-C639 PolarHBondContact O-SG 2.7Å; I636-C639 WeakPolarHBondContact O-CB 3.18Å; I636-C639 PolarHBondContact O-N 2.97Å; I636-C639 VanDerWaalsContact O-N 3.13Å; L637-C639 PolarHBondContact O-N 3.03Å; C639-R642 PolarHBondContact O-N 2.83Å; C639-A643 PolarHBondContact O-N 2.98Å
640	F	92.6	Very high	89.4	Confident	1 Å²	1	52.3 Å²	52.3	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-59.5	-50.8	172.6	-75.4	-61.3	0	0	0	112	L621 F625 I636 L637 R642 A643 L644 F656 R659 K660 F663	L621-F640 HydrophobicContact CD1-CD1 4.15Å; L621-F640 HydrophobicContact CD1-CD2 4.08Å; L621-F640 HydrophobicContact CD1-CE1 3.95Å; L621-F640 HydrophobicContact CD1-CE2 3.9Å; L621-F640 HydrophobicContact CD1-CG 4.21Å; L621-F640 HydrophobicContact CD1-CZ 3.83Å; L621-F640 HydrophobicContact CD2-CD1 4.3Å; L621-F640 HydrophobicContact CD2-CE1 3.55Å; L621-F640 HydrophobicContact CD2-CZ 3.76Å; L621-F640 HydrophobicContact CG-CE1 4.4Å; L621-F640 HydrophobicContact CG-CZ 4.35Å; F625-F640 HydrophobicContact CE2-CE2 4.17Å; F625-F640 HydrophobicContact CE2-CZ 4.17Å; F625-F640 HydrophobicContact CZ-CE2 4.46Å; F625-F640 HydrophobicContact CZ-CZ 4.47Å; I636-F640 HydrophobicContact CG2-CD2 3.9Å; I636-F640 HydrophobicContact CG2-CE2 3.59Å; I636-F640 VanDerWaalsContact O-CD2 3.31Å; I636-F640 WeakPolarHBondContact O-CD2 3.27Å; I636-F640 PolarHBondContact O-N 2.82Å; L637-F640 PolarHBondContact O-N 2.83Å; F640-R642 VanDerWaalsContact C-N 3.27Å; F640-R642 PolarHBondContact O-N 3.47Å; F640-A643 PolarHBondContact O-N 3.43Å; F640-A643 VanDerWaalsContact O-N 3.12Å; F640-L644 VanDerWaalsContact O-CG 3.29Å; F640-L644 WeakPolarHBondContact O-CG 3.44Å; F640-L644 PolarHBondContact O-N 3.03Å; F640-F656 HydrophobicContact CD1-CD1 4.15Å; F640-F656 WeakPolarHBondContact CD1-O 3.46Å; F640-F656 HydrophobicContact CE1-CD1 4.41Å; F640-R659 HydrophobicContact CE1-CB 3.6Å; F640-R659 VanDerWaalsContact CZ-C 3.5Å; F640-R659 HydrophobicContact CZ-CB 3.97Å; F640-R659 WeakPolarHBondContact CZ-O 3.39Å; F640-K660 HydrophobicContact CB-CB 4.04Å; F640-K660 HydrophobicContact CB-CD 4.02Å; F640-K660 HydrophobicContact CB-CG 4.02Å; F640-K660 HydrophobicContact CD1-CB 3.84Å; F640-K660 HydrophobicContact CD2-CB 4.1Å; F640-K660 HydrophobicContact CD2-CG 4.25Å; F640-K660 HydrophobicContact CE1-CB 4.26Å; F640-K660 HydrophobicContact CE2-CB 4.47Å; F640-K660 HydrophobicContact CG-CB 3.76Å; F640-K660 HydrophobicContact CG-CG 4.11Å; F640-F663 HydrophobicContact CD2-CD1 4.46Å; F640-F663 HydrophobicContact CE2-CB 3.86Å; F640-F663 AromaticContact CE2-CD1 3.95Å; F640-F663 HydrophobicContact CE2-CD1 3.95Å; F640-F663 AromaticContact CE2-CG 3.95Å; F640-F663 HydrophobicContact CE2-CG 3.95Å; F640-F663 HydrophobicContact CZ-CB 4.2Å
641	D	92.4	Very high	89.8	Confident	38 Å²	38	51.6 Å²	51.6	20%	0.203	27%	0.271	C	S	.	.	H	α-helix	trans	-58.4	-38.1	178.3	-91.3	16.4	0	0	0	112.7	L637 L644 R645 K660	L637-D641 WeakPolarHBondContact O-CB 3.46Å; L637-D641 PolarHBondContact O-N 3.11Å; D641-L644 PolarHBondContact O-N 2.69Å; D641-R645 VanDerWaalsContact CG-NH2 3.33Å; D641-R645 WeakPolarHBondContact O-CB 3.32Å; D641-R645 VanDerWaalsContact O-CG 3.25Å; D641-R645 WeakPolarHBondContact O-CG 3.22Å; D641-R645 PolarHBondContact O-N 2.73Å; D641-R645 VanDerWaalsContact O-N 3.09Å; D641-R645 IonicContact OD2-CZ 2.69Å; D641-R645 IonicContact OD2-NH1 3.42Å; D641-R645 IonicContact OD2-NH2 3.53Å; D641-R645 PolarHBondContact OD2-NH2 3.47Å; D641-K660 IonicContact OD1-NZ 2.83Å; D641-K660 PolarHBondContact OD1-NZ 3.49Å
642	R	92.5	Very high	90.1	Very high	103 Å²	103	45.3 Å²	45.3	39%	0.389	24%	0.244	S	C	.	.	H	α-helix	trans	-68.3	-39.8	176.6	-173.4	-173.8	-84.7	94.3	-8.6	111.6	Y617 A638 C639 F640 S646	Y617-R642 HydrophobicContact CE1-CG 4.09Å; A638-R642 WeakPolarHBondContact O-CB 3.3Å; A638-R642 PolarHBondContact O-N 2.95Å; A638-R642 PolarHBondContact O-NH1 2.86Å; A638-R642 VanDerWaalsContact O-NH1 3.12Å; C639-R642 PolarHBondContact O-N 2.83Å; F640-R642 VanDerWaalsContact C-N 3.27Å; F640-R642 PolarHBondContact O-N 3.47Å; R642-S646 PolarHBondContact O-N 3.45Å
643	A	91.4	Very high	90.4	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66.5	-39.3	174.3	0	0	0	0	0	112	Y617 C639 F640 R645 S646 L648 F656	Y617-A643 HydrophobicContact CD1-CB 4.06Å; Y617-A643 HydrophobicContact CG-CB 4.16Å; C639-A643 PolarHBondContact O-N 2.98Å; F640-A643 PolarHBondContact O-N 3.43Å; F640-A643 VanDerWaalsContact O-N 3.12Å; A643-R645 PolarHBondContact O-N 2.99Å; A643-S646 WeakPolarHBondContact O-CB 3.35Å; A643-S646 PolarHBondContact O-N 2.82Å; A643-S646 PolarHBondContact O-OG 2.82Å; A643-L648 HydrophobicContact CB-CD1 4.28Å; A643-F656 HydrophobicContact CB-CB 4.23Å; A643-F656 HydrophobicContact CB-CD1 3.76Å; A643-F656 HydrophobicContact CB-CD2 3.86Å; A643-F656 HydrophobicContact CB-CE1 4.01Å; A643-F656 HydrophobicContact CB-CE2 4.13Å; A643-F656 HydrophobicContact CB-CG 3.69Å; A643-F656 HydrophobicContact CB-CZ 4.2Å
644	L	91.4	Very high	90.6	Very high	11 Å²	11	45.2 Å²	45.2	6%	0.058	24%	0.241	C	C	.	.	H	α-helix	trans	-70.9	-30.3	-179.1	-68.3	167.2	0	0	0	113.6	F640 D641 R653 F656 K660 L684	F640-L644 VanDerWaalsContact O-CG 3.29Å; F640-L644 WeakPolarHBondContact O-CG 3.44Å; F640-L644 PolarHBondContact O-N 3.03Å; D641-L644 PolarHBondContact O-N 2.69Å; L644-R653 HydrophobicContact CD2-CB 4.42Å; L644-R653 WeakPolarHBondContact CD2-O 3.37Å; L644-R653 WeakPolarHBondContact O-CD 3.17Å; L644-F656 HydrophobicContact CD2-CB 4.22Å; L644-K660 HydrophobicContact CD1-CD 3.56Å; L644-L684 HydrophobicContact CD2-CD1 3.91Å
645	R	91.5	Very high	90.8	Very high	185 Å²	185	45.7 Å²	45.7	70%	0.698	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-7.1	176.3	-66	171.3	-169.4	147.2	15	114.3	D641 A643	D641-R645 VanDerWaalsContact CG-NH2 3.33Å; D641-R645 WeakPolarHBondContact O-CB 3.32Å; D641-R645 VanDerWaalsContact O-CG 3.25Å; D641-R645 WeakPolarHBondContact O-CG 3.22Å; D641-R645 PolarHBondContact O-N 2.73Å; D641-R645 VanDerWaalsContact O-N 3.09Å; D641-R645 IonicContact OD2-CZ 2.69Å; D641-R645 IonicContact OD2-NH1 3.42Å; D641-R645 IonicContact OD2-NH2 3.53Å; D641-R645 PolarHBondContact OD2-NH2 3.47Å; A643-R645 PolarHBondContact O-N 2.99Å
646	S	91.1	Very high	91	Very high	13 Å²	13	41.9 Å²	41.9	9%	0.091	22%	0.215	C	C	.	.	S	Bend	trans	-76.2	164.2	-179.5	73.8	0	0	0	0	112.9	Y617 R642 A643 L648	Y617-S646 VanDerWaalsContact OH-CB 3.31Å; Y617-S646 WeakPolarHBondContact OH-CB 3.4Å; R642-S646 PolarHBondContact O-N 3.45Å; A643-S646 WeakPolarHBondContact O-CB 3.35Å; A643-S646 PolarHBondContact O-N 2.82Å; A643-S646 PolarHBondContact O-OG 2.82Å; S646-L648 PolarHBondContact O-N 3.45Å; S646-L648 VanDerWaalsContact O-N 3.08Å; S646-L648 VanDerWaalsContact OG-CB 3.28Å; S646-L648 WeakPolarHBondContact OG-CB 3.46Å; S646-L648 WeakPolarHBondContact OG-CD1 3.35Å; S646-L648 WeakPolarHBondContact OG-CG 3.27Å; S646-L648 PolarHBondContact OG-N 3.19Å
647	P	90.1	Very high	91.2	Very high	81 Å²	81	41.9 Å²	41.9	53%	0.526	22%	0.215	S	C	.	.	S	Bend	trans	-72.7	19.3	169.3	32.5	-37.4	0	0	0	114.5	Q611	Q611-P647 HydrophobicContact CB-CG 3.63Å
648	L	90.5	Very high	91.2	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	22%	0.224	C	C	.	.			trans	-54.7	150.2	173.4	-82	177.3	0	0	0	112.9	T612 Y617 A643 S646 R653 F656	T612-L648 WeakPolarHBondContact O-CD2 3.42Å; Y617-L648 HydrophobicContact CD2-CD1 3.72Å; Y617-L648 HydrophobicContact CD2-CD2 4.25Å; Y617-L648 HydrophobicContact CD2-CG 4.15Å; Y617-L648 HydrophobicContact CE2-CD1 4Å; Y617-L648 HydrophobicContact CE2-CD2 4.26Å; Y617-L648 HydrophobicContact CE2-CG 4Å; Y617-L648 HydrophobicContact CG-CD1 4.34Å; A643-L648 HydrophobicContact CB-CD1 4.28Å; S646-L648 PolarHBondContact O-N 3.45Å; S646-L648 VanDerWaalsContact O-N 3.08Å; S646-L648 VanDerWaalsContact OG-CB 3.28Å; S646-L648 WeakPolarHBondContact OG-CB 3.46Å; S646-L648 WeakPolarHBondContact OG-CD1 3.35Å; S646-L648 WeakPolarHBondContact OG-CG 3.27Å; S646-L648 PolarHBondContact OG-N 3.19Å; L648-R653 HydrophobicContact CB-CG 3.66Å; L648-R653 PolarHBondContact O-NE 2.91Å; L648-F656 HydrophobicContact CD1-CD2 3.95Å; L648-F656 HydrophobicContact CD1-CE2 3.76Å
649	S	91	Very high	91.3	Very high	67 Å²	67	47.4 Å²	47.4	47%	0.469	23%	0.229	S	C	.	.			trans	-54.8	147.2	174.1	72.8	0	0	0	0	111.3	D651 S652 R653	S649-D651 VanDerWaalsContact C-N 3.29Å; S649-D651 PolarHBondContact O-N 3.34Å; S649-S652 WeakPolarHBondContact O-CA 3.37Å; S649-S652 WeakPolarHBondContact O-CB 3.26Å; S649-S652 PolarHBondContact O-N 2.79Å; S649-S652 WeakPolarHBondContact OG-CB 3.46Å; S649-S652 PolarHBondContact OG-N 3.04Å; S649-S652 PolarHBondContact OG-OG 3.29Å; S649-R653 PolarHBondContact O-N 2.91Å
650	L	88.4	Confident	91.4	Very high	25 Å²	25	48 Å²	48	13%	0.131	23%	0.231	C	C	.	.	H	α-helix	trans	-59.4	-40.5	-174.2	-177.4	58.3	0	0	0	112	S652 R653 I654 L684 E687 L691	L650-S652 VanDerWaalsContact C-N 3.33Å; L650-S652 PolarHBondContact O-N 3.32Å; L650-R653 PolarHBondContact O-N 2.93Å; L650-I654 HydrophobicContact CD1-CD1 4.35Å; L650-I654 HydrophobicContact CD1-CG1 4.43Å; L650-I654 HydrophobicContact CG-CD1 4.04Å; L650-I654 WeakPolarHBondContact O-CG1 3.39Å; L650-I654 PolarHBondContact O-N 3.4Å; L650-L684 HydrophobicContact CD1-CD2 3.9Å; L650-E687 HydrophobicContact CD2-CB 4.34Å; L650-E687 HydrophobicContact CD2-CG 4.08Å; L650-L691 HydrophobicContact CD2-CD1 3.6Å
651	D	88.4	Confident	91.4	Very high	95 Å²	95	48.3 Å²	48.3	51%	0.508	23%	0.233	S	C	.	.	H	α-helix	trans	-62.3	-39.3	174.9	-50.9	-67.8	0	0	0	112	S649 I654 I655	S649-D651 VanDerWaalsContact C-N 3.29Å; S649-D651 PolarHBondContact O-N 3.34Å; D651-I654 PolarHBondContact O-N 2.91Å; D651-I655 WeakPolarHBondContact O-CG1 3.31Å; D651-I655 PolarHBondContact O-N 3.33Å
652	S	90.3	Very high	91.4	Very high	22 Å²	22	50.5 Å²	50.5	15%	0.154	24%	0.242	C	C	.	.	H	α-helix	trans	-63.3	-44.4	173.9	-59.2	0	0	0	0	111.3	S649 L650 I655 F656	S649-S652 WeakPolarHBondContact O-CA 3.37Å; S649-S652 WeakPolarHBondContact O-CB 3.26Å; S649-S652 PolarHBondContact O-N 2.79Å; S649-S652 WeakPolarHBondContact OG-CB 3.46Å; S649-S652 PolarHBondContact OG-N 3.04Å; S649-S652 PolarHBondContact OG-OG 3.29Å; L650-S652 VanDerWaalsContact C-N 3.33Å; L650-S652 PolarHBondContact O-N 3.32Å; S652-I655 PolarHBondContact O-N 3.28Å; S652-F656 VanDerWaalsContact O-CD2 3.27Å; S652-F656 WeakPolarHBondContact O-CD2 3.33Å; S652-F656 PolarHBondContact O-N 2.96Å
653	R	92.6	Very high	91.4	Very high	49 Å²	49	45.8 Å²	45.8	19%	0.185	22%	0.224	C	C	.	.	H	α-helix	trans	-65.8	-36.3	178.1	-68.7	-170.8	-73.4	127	5.5	111.8	L644 L648 S649 L650 F656 S657 E687	L644-R653 HydrophobicContact CD2-CB 4.42Å; L644-R653 WeakPolarHBondContact CD2-O 3.37Å; L644-R653 WeakPolarHBondContact O-CD 3.17Å; L648-R653 HydrophobicContact CB-CG 3.66Å; L648-R653 PolarHBondContact O-NE 2.91Å; S649-R653 PolarHBondContact O-N 2.91Å; L650-R653 PolarHBondContact O-N 2.93Å; R653-F656 PolarHBondContact O-N 3.5Å; R653-S657 WeakPolarHBondContact O-CB 3.33Å; R653-S657 PolarHBondContact O-N 3.13Å; R653-E687 IonicContact NH2-OE1 2.71Å
654	I	90.4	Very high	91.4	Very high	18 Å²	18	46 Å²	46	9%	0.092	23%	0.226	C	C	.	.	H	α-helix	trans	-62.3	-44.3	172.1	-70.5	165.9	0	0	0	110.9	L650 D651 F656 S657 Q658 L684	L650-I654 HydrophobicContact CD1-CD1 4.35Å; L650-I654 HydrophobicContact CD1-CG1 4.43Å; L650-I654 HydrophobicContact CG-CD1 4.04Å; L650-I654 WeakPolarHBondContact O-CG1 3.39Å; L650-I654 PolarHBondContact O-N 3.4Å; D651-I654 PolarHBondContact O-N 2.91Å; I654-F656 PolarHBondContact O-N 3.08Å; I654-S657 WeakPolarHBondContact O-CB 3.5Å; I654-S657 PolarHBondContact O-N 3.46Å; I654-S657 VanDerWaalsContact O-N 3.15Å; I654-Q658 PolarHBondContact O-N 3.3Å; I654-L684 HydrophobicContact CG1-CB 3.89Å
655	I	91.8	Very high	91.4	Very high	84 Å²	84	51 Å²	51	43%	0.431	25%	0.248	S	C	.	.	H	α-helix	trans	-62.8	-42.1	176.5	-67.2	163.1	0	0	0	111.6	D651 S652 S657 R659	D651-I655 WeakPolarHBondContact O-CG1 3.31Å; D651-I655 PolarHBondContact O-N 3.33Å; S652-I655 PolarHBondContact O-N 3.28Å; I655-S657 VanDerWaalsContact C-N 3.33Å; I655-R659 WeakPolarHBondContact O-CG 3.4Å; I655-R659 PolarHBondContact O-N 3.4Å
656	F	93	Very high	91.3	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.026	24%	0.241	C	C	.	.	H	α-helix	trans	-65.3	-35.4	173.2	-83	-73.6	0	0	0	112.5	Y617 L618 L621 F640 A643 L644 L648 S652 R653 I654 R659 K660	Y617-F656 VanDerWaalsContact CB-CZ 3.47Å; L618-F656 HydrophobicContact CD2-CE1 3.93Å; L618-F656 HydrophobicContact CD2-CZ 3.74Å; L618-F656 HydrophobicContact CG-CE1 4.37Å; L618-F656 HydrophobicContact CG-CE2 4.48Å; L618-F656 HydrophobicContact CG-CZ 3.74Å; L621-F656 HydrophobicContact CD2-CE1 4.26Å; F640-F656 HydrophobicContact CD1-CD1 4.15Å; F640-F656 WeakPolarHBondContact CD1-O 3.46Å; F640-F656 HydrophobicContact CE1-CD1 4.41Å; A643-F656 HydrophobicContact CB-CB 4.23Å; A643-F656 HydrophobicContact CB-CD1 3.76Å; A643-F656 HydrophobicContact CB-CD2 3.86Å; A643-F656 HydrophobicContact CB-CE1 4.01Å; A643-F656 HydrophobicContact CB-CE2 4.13Å; A643-F656 HydrophobicContact CB-CG 3.69Å; A643-F656 HydrophobicContact CB-CZ 4.2Å; L644-F656 HydrophobicContact CD2-CB 4.22Å; L648-F656 HydrophobicContact CD1-CD2 3.95Å; L648-F656 HydrophobicContact CD1-CE2 3.76Å; S652-F656 VanDerWaalsContact O-CD2 3.27Å; S652-F656 WeakPolarHBondContact O-CD2 3.33Å; S652-F656 PolarHBondContact O-N 2.96Å; R653-F656 PolarHBondContact O-N 3.5Å; I654-F656 PolarHBondContact O-N 3.08Å; F656-R659 PolarHBondContact O-N 3.44Å; F656-K660 WeakPolarHBondContact O-CB 3.22Å; F656-K660 PolarHBondContact O-N 3.46Å
657	S	92.8	Very high	91.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-69.5	-41.6	178.2	-165	0	0	0	0	111.9	R653 I654 I655 K660 V661 Q681	R653-S657 WeakPolarHBondContact O-CB 3.33Å; R653-S657 PolarHBondContact O-N 3.13Å; I654-S657 WeakPolarHBondContact O-CB 3.5Å; I654-S657 PolarHBondContact O-N 3.46Å; I654-S657 VanDerWaalsContact O-N 3.15Å; I655-S657 VanDerWaalsContact C-N 3.33Å; S657-K660 WeakPolarHBondContact O-CB 3.4Å; S657-K660 PolarHBondContact O-N 3.09Å; S657-V661 PolarHBondContact O-N 2.92Å; S657-V661 VanDerWaalsContact O-N 3.13Å; S657-Q681 VanDerWaalsContact OG-CA 3.23Å; S657-Q681 WeakPolarHBondContact OG-CA 3.47Å; S657-Q681 WeakPolarHBondContact OG-CB 3.33Å; S657-Q681 PolarHBondContact OG-N 3.01Å
658	Q	91.4	Very high	90.9	Very high	85 Å²	85	46.5 Å²	46.5	40%	0.397	24%	0.238	S	C	.	.	H	α-helix	trans	-60.1	-48.8	173.2	179.3	-179.1	-24.9	0	0	110.5	I654 K660 V661 E662	I654-Q658 PolarHBondContact O-N 3.3Å; Q658-K660 VanDerWaalsContact C-N 3.29Å; Q658-K660 PolarHBondContact O-N 3.12Å; Q658-V661 WeakPolarHBondContact O-CB 3.41Å; Q658-V661 PolarHBondContact O-N 3.12Å; Q658-V661 VanDerWaalsContact O-N 3.07Å; Q658-E662 HydrophobicContact CG-CG 4.38Å; Q658-E662 WeakPolarHBondContact CG-OE1 3.49Å; Q658-E662 PolarHBondContact NE2-OE1 3.12Å; Q658-E662 WeakPolarHBondContact O-CG 3.38Å; Q658-E662 PolarHBondContact O-N 3.49Å
659	R	92.6	Very high	90.5	Very high	103 Å²	103	50.8 Å²	50.8	39%	0.389	27%	0.269	S	S	.	.	H	α-helix	trans	-64.8	-29.9	178.8	-72.2	175.9	177.1	-157	-3.5	113.7	F640 I655 F656 E662 F663	F640-R659 HydrophobicContact CE1-CB 3.6Å; F640-R659 VanDerWaalsContact CZ-C 3.5Å; F640-R659 HydrophobicContact CZ-CB 3.97Å; F640-R659 WeakPolarHBondContact CZ-O 3.39Å; I655-R659 WeakPolarHBondContact O-CG 3.4Å; I655-R659 PolarHBondContact O-N 3.4Å; F656-R659 PolarHBondContact O-N 3.44Å; R659-E662 WeakPolarHBondContact CA-OE2 3.39Å; R659-E662 WeakPolarHBondContact CG-OE2 3.43Å; R659-F663 WeakPolarHBondContact O-CB 3.42Å; R659-F663 PolarHBondContact O-N 3.3Å
660	K	93.4	Very high	90.2	Very high	19 Å²	19	51 Å²	51	8%	0.083	27%	0.265	C	S	.	.	H	α-helix	trans	-65.7	-39.3	171.6	-179.9	-178.3	172	176.3	0	111.5	F640 D641 L644 F656 S657 Q658 L664 A677 E680	F640-K660 HydrophobicContact CB-CB 4.04Å; F640-K660 HydrophobicContact CB-CD 4.02Å; F640-K660 HydrophobicContact CB-CG 4.02Å; F640-K660 HydrophobicContact CD1-CB 3.84Å; F640-K660 HydrophobicContact CD2-CB 4.1Å; F640-K660 HydrophobicContact CD2-CG 4.25Å; F640-K660 HydrophobicContact CE1-CB 4.26Å; F640-K660 HydrophobicContact CE2-CB 4.47Å; F640-K660 HydrophobicContact CG-CB 3.76Å; F640-K660 HydrophobicContact CG-CG 4.11Å; D641-K660 IonicContact OD1-NZ 2.83Å; D641-K660 PolarHBondContact OD1-NZ 3.49Å; L644-K660 HydrophobicContact CD1-CD 3.56Å; F656-K660 WeakPolarHBondContact O-CB 3.22Å; F656-K660 PolarHBondContact O-N 3.46Å; S657-K660 WeakPolarHBondContact O-CB 3.4Å; S657-K660 PolarHBondContact O-N 3.09Å; Q658-K660 VanDerWaalsContact C-N 3.29Å; Q658-K660 PolarHBondContact O-N 3.12Å; K660-L664 HydrophobicContact CG-CD1 4.2Å; K660-L664 WeakPolarHBondContact O-CB 3.38Å; K660-L664 WeakPolarHBondContact O-CD1 3.48Å; K660-L664 WeakPolarHBondContact O-CG 3.5Å; K660-L664 PolarHBondContact O-N 3.37Å; K660-L664 VanDerWaalsContact O-N 3.17Å; K660-A677 HydrophobicContact CD-CB 4.3Å; K660-A677 HydrophobicContact CG-CB 4.2Å; K660-E680 IonicContact NZ-OE2 3.25Å; K660-E680 PolarHBondContact NZ-OE2 2.86Å
661	V	92.5	Very high	90.2	Very high	7 Å²	7	55.2 Å²	55.2	4%	0.042	29%	0.286	C	S	.	.	H	α-helix	trans	-69.2	-51.2	174.9	167.8	0	0	0	0	110.8	S657 Q658 F663 L664 E665 L674 A677 Y678 Q681	S657-V661 PolarHBondContact O-N 2.92Å; S657-V661 VanDerWaalsContact O-N 3.13Å; Q658-V661 WeakPolarHBondContact O-CB 3.41Å; Q658-V661 PolarHBondContact O-N 3.12Å; Q658-V661 VanDerWaalsContact O-N 3.07Å; V661-F663 VanDerWaalsContact C-N 3.28Å; V661-F663 PolarHBondContact O-N 3.16Å; V661-L664 CarbonylContact O-C 3.44Å; V661-L664 PolarHBondContact O-N 3.43Å; V661-E665 PolarHBondContact O-N 3.48Å; V661-L674 HydrophobicContact CG1-CD1 4.13Å; V661-A677 HydrophobicContact CG2-CB 3.68Å; V661-Y678 HydrophobicContact CG1-CD1 3.89Å; V661-Y678 HydrophobicContact CG1-CD2 4.11Å; V661-Y678 HydrophobicContact CG1-CE1 3.46Å; V661-Y678 VanDerWaalsContact CG1-CE1 3.46Å; V661-Y678 HydrophobicContact CG1-CE2 3.71Å; V661-Y678 HydrophobicContact CG1-CG 4.2Å; V661-Y678 HydrophobicContact CG2-CD1 4.33Å; V661-Y678 HydrophobicContact CG2-CG 4.36Å; V661-Q681 HydrophobicContact CG2-CB 4.44Å
662	E	92.4	Very high	90.4	Very high	83 Å²	83	56 Å²	56	39%	0.388	29%	0.29	S	S	.	.	H	α-helix	trans	-52	-47.6	175.8	-69	164.9	169.9	0	0	111.1	Q658 R659 L664 E665 D666	Q658-E662 HydrophobicContact CG-CG 4.38Å; Q658-E662 WeakPolarHBondContact CG-OE1 3.49Å; Q658-E662 PolarHBondContact NE2-OE1 3.12Å; Q658-E662 WeakPolarHBondContact O-CG 3.38Å; Q658-E662 PolarHBondContact O-N 3.49Å; R659-E662 WeakPolarHBondContact CA-OE2 3.39Å; R659-E662 WeakPolarHBondContact CG-OE2 3.43Å; E662-L664 PolarHBondContact O-N 2.84Å; E662-E665 PolarHBondContact O-N 2.72Å; E662-D666 PolarHBondContact O-N 2.72Å
663	F	92.3	Very high	90.3	Very high	5 Å²	5	56.6 Å²	56.6	2%	0.022	30%	0.296	C	S	.	.	H	α-helix	trans	-60.2	-39.4	175.8	174.6	-109.6	0	0	0	114.2	F625 V629 Q633 I636 L637 F640 R659 V661 F667	F625-F663 AromaticContact CE1-CD2 3.66Å; F625-F663 HydrophobicContact CE1-CD2 3.66Å; F625-F663 HydrophobicContact CE1-CE2 4.01Å; F625-F663 HydrophobicContact CE2-CD2 4.33Å; F625-F663 HydrophobicContact CZ-CB 4.27Å; F625-F663 AromaticContact CZ-CD2 3.33Å; F625-F663 HydrophobicContact CZ-CD2 3.33Å; F625-F663 AromaticContact CZ-CE2 3.89Å; F625-F663 HydrophobicContact CZ-CE2 3.89Å; F625-F663 AromaticContact CZ-CG 3.95Å; F625-F663 HydrophobicContact CZ-CG 3.95Å; V629-F663 HydrophobicContact CG1-CE2 3.61Å; V629-F663 HydrophobicContact CG1-CZ 4.35Å; Q633-F663 HydrophobicContact CG-CE1 4.12Å; Q633-F663 HydrophobicContact CG-CZ 3.95Å; I636-F663 HydrophobicContact CB-CE1 4.21Å; I636-F663 HydrophobicContact CB-CZ 4.03Å; I636-F663 HydrophobicContact CD1-CE2 4.01Å; I636-F663 HydrophobicContact CD1-CZ 3.97Å; I636-F663 HydrophobicContact CG2-CD1 3.9Å; I636-F663 HydrophobicContact CG2-CD2 4.19Å; I636-F663 HydrophobicContact CG2-CE1 3.61Å; I636-F663 HydrophobicContact CG2-CE2 3.92Å; I636-F663 HydrophobicContact CG2-CG 4.18Å; I636-F663 HydrophobicContact CG2-CZ 3.62Å; L637-F663 HydrophobicContact CD2-CD1 3.97Å; L637-F663 HydrophobicContact CD2-CE1 3.95Å; L637-F663 HydrophobicContact CG-CE1 4.02Å; F640-F663 HydrophobicContact CD2-CD1 4.46Å; F640-F663 HydrophobicContact CE2-CB 3.86Å; F640-F663 AromaticContact CE2-CD1 3.95Å; F640-F663 HydrophobicContact CE2-CD1 3.95Å; F640-F663 AromaticContact CE2-CG 3.95Å; F640-F663 HydrophobicContact CE2-CG 3.95Å; F640-F663 HydrophobicContact CZ-CB 4.2Å; R659-F663 WeakPolarHBondContact O-CB 3.42Å; R659-F663 PolarHBondContact O-N 3.3Å; V661-F663 VanDerWaalsContact C-N 3.28Å; V661-F663 PolarHBondContact O-N 3.16Å; F663-F667 HydrophobicContact CD2-CB 4.35Å; F663-F667 AromaticContact CD2-CD2 3.63Å; F663-F667 HydrophobicContact CD2-CD2 3.63Å; F663-F667 HydrophobicContact CD2-CE2 4.45Å; F663-F667 HydrophobicContact CD2-CG 4.4Å; F663-F667 HydrophobicContact CE2-CB 3.97Å; F663-F667 AromaticContact CE2-CD2 3.84Å; F663-F667 HydrophobicContact CE2-CD2 3.84Å; F663-F667 HydrophobicContact CE2-CG 4.22Å; F663-F667 HydrophobicContact CZ-CB 4.47Å; F663-F667 PolarHBondContact O-N 2.92Å
664	L	91.4	Very high	90.2	Very high	5 Å²	5	54.8 Å²	54.8	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-79.8	-20	-179.9	-78.1	167.9	0	0	0	113.2	L637 K660 V661 E662 G668 A673 L674 A677	L637-L664 HydrophobicContact CD1-CD2 4.33Å; L637-L664 HydrophobicContact CD2-CD1 4Å; L637-L664 HydrophobicContact CD2-CD2 3.96Å; L637-L664 HydrophobicContact CD2-CG 4Å; K660-L664 HydrophobicContact CG-CD1 4.2Å; K660-L664 WeakPolarHBondContact O-CB 3.38Å; K660-L664 WeakPolarHBondContact O-CD1 3.48Å; K660-L664 WeakPolarHBondContact O-CG 3.5Å; K660-L664 PolarHBondContact O-N 3.37Å; K660-L664 VanDerWaalsContact O-N 3.17Å; V661-L664 CarbonylContact O-C 3.44Å; V661-L664 PolarHBondContact O-N 3.43Å; E662-L664 PolarHBondContact O-N 2.84Å; L664-G668 WeakPolarHBondContact O-CA 3.38Å; L664-G668 PolarHBondContact O-N 2.86Å; L664-G668 VanDerWaalsContact O-N 3.17Å; L664-A673 HydrophobicContact CD1-CB 4.42Å; L664-A673 HydrophobicContact CD2-CB 4.22Å; L664-L674 HydrophobicContact CB-CB 4.11Å; L664-L674 HydrophobicContact CB-CD1 3.74Å; L664-L674 HydrophobicContact CB-CG 4.48Å; L664-A677 HydrophobicContact CD1-CB 3.79Å
665	E	91.6	Very high	90.2	Very high	115 Å²	115	57.4 Å²	57.4	54%	0.537	31%	0.307	S	S	.	.	H	α-helix	trans	-77.1	-46.8	170.2	-163.3	79.7	-129.2	0	0	110.4	V661 E662 L674 Y678	V661-E665 PolarHBondContact O-N 3.48Å; E662-E665 PolarHBondContact O-N 2.72Å; E665-L674 HydrophobicContact CB-CD1 4.42Å; E665-L674 HydrophobicContact CB-CD2 4.5Å; E665-Y678 PolarHBondContact OE2-OH 3.09Å
666	D	89.3	Confident	90.2	Very high	103 Å²	103	56 Å²	56	55%	0.551	31%	0.308	S	S	*	.	H	α-helix	trans	-72.9	-38.1	-178.4	-75.1	-24.6	0	0	0	113.7	E662	E662-D666 PolarHBondContact O-N 2.72Å
667	F	88.1	Confident	90.1	Very high	48 Å²	48	55.7 Å²	55.7	21%	0.211	31%	0.307	C	S	.	.	H	α-helix	trans	-132.3	8.3	-168.5	-49.7	-74.7	0	0	0	114.3	V629 M630 F663 S669 W750	V629-F667 HydrophobicContact CG1-CB 4.38Å; V629-F667 HydrophobicContact CG1-CD1 4.23Å; V629-F667 HydrophobicContact CG1-CD2 4.18Å; V629-F667 HydrophobicContact CG1-CG 3.99Å; M630-F667 HydrophobicContact CE-CB 4.03Å; M630-F667 HydrophobicContact CE-CD1 3.83Å; M630-F667 HydrophobicContact CE-CG 4.42Å; F663-F667 HydrophobicContact CD2-CB 4.35Å; F663-F667 AromaticContact CD2-CD2 3.63Å; F663-F667 HydrophobicContact CD2-CD2 3.63Å; F663-F667 HydrophobicContact CD2-CE2 4.45Å; F663-F667 HydrophobicContact CD2-CG 4.4Å; F663-F667 HydrophobicContact CE2-CB 3.97Å; F663-F667 AromaticContact CE2-CD2 3.84Å; F663-F667 HydrophobicContact CE2-CD2 3.84Å; F663-F667 HydrophobicContact CE2-CG 4.22Å; F663-F667 HydrophobicContact CZ-CB 4.47Å; F663-F667 PolarHBondContact O-N 2.92Å; F667-S669 PolarHBondContact O-N 3.38Å; F667-W750 HydrophobicContact CE2-CH2 4.04Å; F667-W750 AromaticContact CE2-CZ2 3.86Å; F667-W750 HydrophobicContact CE2-CZ2 3.86Å; F667-W750 AromaticContact CZ-CH2 3.59Å; F667-W750 HydrophobicContact CZ-CH2 3.59Å; F667-W750 AromaticContact CZ-CZ2 3.8Å; F667-W750 HydrophobicContact CZ-CZ2 3.8Å; F667-W750 HydrophobicContact CZ-CZ3 4.37Å
668	G	83.8	Confident	90	Very high	33 Å²	33	60.5 Å²	60.5	34%	0.34	33%	0.325	S	S	.	.			trans	-71.4	125.1	-175.5	0	0	0	0	0	114.2	L664	L664-G668 WeakPolarHBondContact O-CA 3.38Å; L664-G668 PolarHBondContact O-N 2.86Å; L664-G668 VanDerWaalsContact O-N 3.17Å
669	S	82.1	Confident	90	Very high	94 Å²	94	62.7 Å²	62.7	66%	0.657	34%	0.336	S	S	*	.	S	Bend	trans	-86.6	-10.6	173.6	52.2	0	0	0	0	114.6	Q633 F667	Q633-S669 PolarHBondContact NE2-OG 2.88Å; Q633-S669 PolarHBondContact OE1-OG 3.31Å; F667-S669 PolarHBondContact O-N 3.38Å
670	D	86.3	Confident	90	Very high	73 Å²	73	60.5 Å²	60.5	39%	0.39	33%	0.33	S	S	.	.			trans	-137	118.5	177	177.1	21.6	0	0	0	111.6	N672 A673	D670-N672 PolarHBondContact O-N 3.26Å; D670-N672 WeakPolarHBondContact OD1-CB 3.35Å; D670-N672 PolarHBondContact OD1-N 2.94Å; D670-N672 PolarHBondContact OD1-ND2 3.39Å; D670-A673 HydrophobicContact CB-CB 4.42Å; D670-A673 WeakPolarHBondContact O-CB 3.32Å; D670-A673 PolarHBondContact O-N 3.39Å
671	I	88.4	Confident	89.9	Confident	112 Å²	112	61.6 Å²	61.6	57%	0.574	34%	0.335	S	S	*	.	H	α-helix	trans	-61.6	-28.3	177.2	-171.7	57.5	0	0	0	112.8	A673 L674 V675	I671-A673 VanDerWaalsContact C-N 3.34Å; I671-L674 HydrophobicContact CD1-CD2 4.01Å; I671-L674 PolarHBondContact O-N 3.42Å; I671-V675 WeakPolarHBondContact O-CG2 3.32Å; I671-V675 PolarHBondContact O-N 2.79Å
672	N	91.3	Very high	89.8	Confident	112 Å²	112	66.2 Å²	66.2	60%	0.599	36%	0.357	S	S	*	.	H	α-helix	trans	-70.3	-33.8	179.8	-56.3	-82.8	0	0	0	111.3	D670 A676	D670-N672 PolarHBondContact O-N 3.26Å; D670-N672 WeakPolarHBondContact OD1-CB 3.35Å; D670-N672 PolarHBondContact OD1-N 2.94Å; D670-N672 PolarHBondContact OD1-ND2 3.39Å; N672-A676 WeakPolarHBondContact O-CB 3.29Å; N672-A676 PolarHBondContact O-N 3.05Å
673	A	89	Confident	89.8	Confident	34 Å²	34	69.2 Å²	69.2	28%	0.281	37%	0.368	S	S	.	.	H	α-helix	trans	-66.2	-39.7	173.7	0	0	0	0	0	112.1	L664 D670 I671 A676 A677	L664-A673 HydrophobicContact CD1-CB 4.42Å; L664-A673 HydrophobicContact CD2-CB 4.22Å; D670-A673 HydrophobicContact CB-CB 4.42Å; D670-A673 WeakPolarHBondContact O-CB 3.32Å; D670-A673 PolarHBondContact O-N 3.39Å; I671-A673 VanDerWaalsContact C-N 3.34Å; A673-A676 PolarHBondContact O-N 3.34Å; A673-A677 WeakPolarHBondContact O-CB 3.49Å; A673-A677 PolarHBondContact O-N 3.11Å
674	L	89.4	Confident	89.7	Confident	11 Å²	11	69.7 Å²	69.7	6%	0.058	37%	0.371	C	S	.	.	H	α-helix	trans	-64.1	-46.7	175.1	177.6	57.1	0	0	0	111.7	V661 L664 E665 I671 A676 A677 Y678	V661-L674 HydrophobicContact CG1-CD1 4.13Å; L664-L674 HydrophobicContact CB-CB 4.11Å; L664-L674 HydrophobicContact CB-CD1 3.74Å; L664-L674 HydrophobicContact CB-CG 4.48Å; E665-L674 HydrophobicContact CB-CD1 4.42Å; E665-L674 HydrophobicContact CB-CD2 4.5Å; I671-L674 HydrophobicContact CD1-CD2 4.01Å; I671-L674 PolarHBondContact O-N 3.42Å; L674-A676 VanDerWaalsContact C-N 3.35Å; L674-A676 PolarHBondContact O-N 3.06Å; L674-A677 PolarHBondContact O-N 2.96Å; L674-Y678 HydrophobicContact CD1-CD2 3.86Å; L674-Y678 HydrophobicContact CD1-CE2 3.66Å; L674-Y678 HydrophobicContact CG-CD2 4.04Å; L674-Y678 HydrophobicContact CG-CE2 3.98Å; L674-Y678 WeakPolarHBondContact O-CD2 3.39Å; L674-Y678 PolarHBondContact O-N 3.44Å
675	V	91.4	Very high	89.5	Confident	74 Å²	74	72.8 Å²	72.8	45%	0.448	39%	0.385	S	S	.	.	H	α-helix	trans	-59.2	-44.9	175.6	172.8	0	0	0	0	111.3	I671 A677 Y678 E679	I671-V675 WeakPolarHBondContact O-CG2 3.32Å; I671-V675 PolarHBondContact O-N 2.79Å; V675-A677 VanDerWaalsContact C-N 3.32Å; V675-A677 PolarHBondContact O-N 3.04Å; V675-Y678 PolarHBondContact O-N 3.31Å; V675-E679 PolarHBondContact O-N 3.48Å
676	A	91.7	Very high	89.4	Confident	54 Å²	54	73.2 Å²	73.2	45%	0.446	39%	0.385	S	S	.	.	H	α-helix	trans	-62.6	-36.7	176.6	0	0	0	0	0	112.9	N672 A673 L674 E679 E680	N672-A676 WeakPolarHBondContact O-CB 3.29Å; N672-A676 PolarHBondContact O-N 3.05Å; A673-A676 PolarHBondContact O-N 3.34Å; L674-A676 VanDerWaalsContact C-N 3.35Å; L674-A676 PolarHBondContact O-N 3.06Å; A676-E679 PolarHBondContact O-N 3.41Å; A676-E680 WeakPolarHBondContact O-CB 3.27Å; A676-E680 PolarHBondContact O-N 2.91Å
677	A	91.1	Very high	89.5	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-68	-38.1	175.2	0	0	0	0	0	112.4	K660 V661 L664 A673 L674 V675 E680 Q681	K660-A677 HydrophobicContact CD-CB 4.3Å; K660-A677 HydrophobicContact CG-CB 4.2Å; V661-A677 HydrophobicContact CG2-CB 3.68Å; L664-A677 HydrophobicContact CD1-CB 3.79Å; A673-A677 WeakPolarHBondContact O-CB 3.49Å; A673-A677 PolarHBondContact O-N 3.11Å; L674-A677 PolarHBondContact O-N 2.96Å; V675-A677 VanDerWaalsContact C-N 3.32Å; V675-A677 PolarHBondContact O-N 3.04Å; A677-E680 PolarHBondContact O-N 3.04Å; A677-Q681 WeakPolarHBondContact O-CB 3.49Å; A677-Q681 PolarHBondContact O-N 3.12Å
678	Y	90.9	Very high	89.5	Confident	100 Å²	100	69.5 Å²	69.5	39%	0.392	37%	0.366	S	S	.	.	H	α-helix	trans	-63.8	-39.6	172.1	-90.2	-64.1	0	0	0	112.6	V661 E665 L674 V675 Q681 Q682	V661-Y678 HydrophobicContact CG1-CD1 3.89Å; V661-Y678 HydrophobicContact CG1-CD2 4.11Å; V661-Y678 HydrophobicContact CG1-CE1 3.46Å; V661-Y678 VanDerWaalsContact CG1-CE1 3.46Å; V661-Y678 HydrophobicContact CG1-CE2 3.71Å; V661-Y678 HydrophobicContact CG1-CG 4.2Å; V661-Y678 HydrophobicContact CG2-CD1 4.33Å; V661-Y678 HydrophobicContact CG2-CG 4.36Å; E665-Y678 PolarHBondContact OE2-OH 3.09Å; L674-Y678 HydrophobicContact CD1-CD2 3.86Å; L674-Y678 HydrophobicContact CD1-CE2 3.66Å; L674-Y678 HydrophobicContact CG-CD2 4.04Å; L674-Y678 HydrophobicContact CG-CE2 3.98Å; L674-Y678 WeakPolarHBondContact O-CD2 3.39Å; L674-Y678 PolarHBondContact O-N 3.44Å; V675-Y678 PolarHBondContact O-N 3.31Å; Y678-Q681 PolarHBondContact O-N 3.46Å; Y678-Q682 WeakPolarHBondContact O-CB 3.37Å; Y678-Q682 WeakPolarHBondContact O-CG 3.39Å; Y678-Q682 PolarHBondContact O-N 3.4Å
679	E	92	Very high	89.6	Confident	132 Å²	132	70.7 Å²	70.7	62%	0.617	36%	0.364	S	S	*	.	H	α-helix	trans	-65.1	-41.5	174.6	-71.6	-173.1	172	0	0	112.1	V675 A676 Q682 K683	V675-E679 PolarHBondContact O-N 3.48Å; A676-E679 PolarHBondContact O-N 3.41Å; E679-Q682 PolarHBondContact O-N 3.5Å; E679-K683 WeakPolarHBondContact O-CB 3.41Å; E679-K683 PolarHBondContact O-N 2.92Å
680	E	91.1	Very high	89.6	Confident	56 Å²	56	68.7 Å²	68.7	26%	0.262	35%	0.35	S	S	.	.	H	α-helix	trans	-61.6	-46.2	174.3	-174.6	167.4	-136.2	0	0	111.7	K660 A676 A677 K683 L684	K660-E680 IonicContact NZ-OE2 3.25Å; K660-E680 PolarHBondContact NZ-OE2 2.86Å; A676-E680 WeakPolarHBondContact O-CB 3.27Å; A676-E680 PolarHBondContact O-N 2.91Å; A677-E680 PolarHBondContact O-N 3.04Å; E680-K683 WeakPolarHBondContact O-CB 3.48Å; E680-K683 PolarHBondContact O-N 3.08Å; E680-L684 HydrophobicContact CG-CD1 4.43Å; E680-L684 WeakPolarHBondContact O-CG 3.47Å; E680-L684 PolarHBondContact O-N 3.33Å
681	Q	91.6	Very high	89.3	Confident	42 Å²	42	69.7 Å²	69.7	20%	0.196	36%	0.355	C	S	.	.	H	α-helix	trans	-61.6	-46.7	176.2	-167.8	-172.1	11	0	0	111.7	S657 V661 A677 Y678 K683 L684 Q685	S657-Q681 VanDerWaalsContact OG-CA 3.23Å; S657-Q681 WeakPolarHBondContact OG-CA 3.47Å; S657-Q681 WeakPolarHBondContact OG-CB 3.33Å; S657-Q681 PolarHBondContact OG-N 3.01Å; V661-Q681 HydrophobicContact CG2-CB 4.44Å; A677-Q681 WeakPolarHBondContact O-CB 3.49Å; A677-Q681 PolarHBondContact O-N 3.12Å; Y678-Q681 PolarHBondContact O-N 3.46Å; Q681-K683 VanDerWaalsContact C-N 3.26Å; Q681-K683 PolarHBondContact O-N 2.75Å; Q681-L684 PolarHBondContact O-N 3.48Å; Q681-Q685 WeakPolarHBondContact O-CB 3.44Å; Q681-Q685 PolarHBondContact O-N 2.76Å
682	Q	90.2	Very high	88.8	Confident	105 Å²	105	69.5 Å²	69.5	49%	0.491	35%	0.35	S	S	.	.	H	α-helix	trans	-60.7	-35.1	176.8	-81	-167.1	40.5	0	0	112.7	Y678 E679 K686	Y678-Q682 WeakPolarHBondContact O-CB 3.37Å; Y678-Q682 WeakPolarHBondContact O-CG 3.39Å; Y678-Q682 PolarHBondContact O-N 3.4Å; E679-Q682 PolarHBondContact O-N 3.5Å; Q682-K686 WeakPolarHBondContact O-CB 3.47Å; Q682-K686 VanDerWaalsContact O-CD 3.22Å; Q682-K686 WeakPolarHBondContact O-CD 3.45Å; Q682-K686 WeakPolarHBondContact O-CG 3.24Å; Q682-K686 PolarHBondContact O-N 3.36Å
683	K	92.2	Very high	87.9	Confident	146 Å²	146	70.9 Å²	70.9	64%	0.635	35%	0.347	S	S	*	.	H	α-helix	trans	-66.5	-48.7	176.9	-177	-173.7	172.9	-168.9	0	110.9	E679 E680 Q681 Q685 K686 E687	E679-K683 WeakPolarHBondContact O-CB 3.41Å; E679-K683 PolarHBondContact O-N 2.92Å; E680-K683 WeakPolarHBondContact O-CB 3.48Å; E680-K683 PolarHBondContact O-N 3.08Å; Q681-K683 VanDerWaalsContact C-N 3.26Å; Q681-K683 PolarHBondContact O-N 2.75Å; K683-Q685 VanDerWaalsContact C-N 3.33Å; K683-Q685 PolarHBondContact O-N 3.42Å; K683-K686 PolarHBondContact O-N 3.23Å; K683-E687 PolarHBondContact O-N 3.01Å
684	L	90.1	Very high	87	Confident	14 Å²	14	73.7 Å²	73.7	7%	0.073	36%	0.361	C	S	.	.	H	α-helix	trans	-63.1	-37.7	177.8	-68.7	168.6	0	0	0	112.3	L644 L650 I654 E680 Q681 E687 S688	L644-L684 HydrophobicContact CD2-CD1 3.91Å; L650-L684 HydrophobicContact CD1-CD2 3.9Å; I654-L684 HydrophobicContact CG1-CB 3.89Å; E680-L684 HydrophobicContact CG-CD1 4.43Å; E680-L684 WeakPolarHBondContact O-CG 3.47Å; E680-L684 PolarHBondContact O-N 3.33Å; Q681-L684 PolarHBondContact O-N 3.48Å; L684-E687 WeakPolarHBondContact O-CB 3.12Å; L684-E687 PolarHBondContact O-N 3.19Å; L684-S688 PolarHBondContact O-N 3.47Å
685	Q	88.3	Confident	85.9	Confident	71 Å²	71	76.6 Å²	76.6	33%	0.332	39%	0.386	S	S	.	.	H	α-helix	trans	-64.8	-45.5	174.4	-169.5	61.1	50.2	0	0	111.7	Q681 K683 E687 S688 D689	Q681-Q685 WeakPolarHBondContact O-CB 3.44Å; Q681-Q685 PolarHBondContact O-N 2.76Å; K683-Q685 VanDerWaalsContact C-N 3.33Å; K683-Q685 PolarHBondContact O-N 3.42Å; Q685-E687 VanDerWaalsContact C-N 3.26Å; Q685-E687 PolarHBondContact O-N 3.4Å; Q685-S688 PolarHBondContact NE2-OG 2.81Å; Q685-S688 VanDerWaalsContact O-CB 3.31Å; Q685-S688 WeakPolarHBondContact O-CB 3.32Å; Q685-S688 PolarHBondContact O-N 2.87Å; Q685-S688 VanDerWaalsContact O-N 3.15Å; Q685-D689 PolarHBondContact NE2-OD1 3.26Å; Q685-D689 PolarHBondContact NE2-OD2 2.91Å; Q685-D689 PolarHBondContact O-N 3.07Å
686	K	90.1	Very high	84.2	Confident	123 Å²	123	79.9 Å²	79.9	54%	0.535	40%	0.397	S	S	.	.	H	α-helix	trans	-61.9	-34.3	176.2	-70.8	160.8	-164	165.1	0	112	Q682 K683 S690	Q682-K686 WeakPolarHBondContact O-CB 3.47Å; Q682-K686 VanDerWaalsContact O-CD 3.22Å; Q682-K686 WeakPolarHBondContact O-CD 3.45Å; Q682-K686 WeakPolarHBondContact O-CG 3.24Å; Q682-K686 PolarHBondContact O-N 3.36Å; K683-K686 PolarHBondContact O-N 3.23Å; K686-S690 WeakPolarHBondContact O-CB 3.38Å; K686-S690 PolarHBondContact O-N 3.08Å; K686-S690 PolarHBondContact O-OG 2.89Å
687	E	89.8	Confident	82.7	Confident	71 Å²	71	84.1 Å²	84.1	33%	0.332	41%	0.412	S	S	.	.	H	α-helix	trans	-62	-52.3	171.2	-167.2	177.4	132.8	0	0	110.7	L650 R653 K683 L684 Q685 D689 S690 L691	L650-E687 HydrophobicContact CD2-CB 4.34Å; L650-E687 HydrophobicContact CD2-CG 4.08Å; R653-E687 IonicContact NH2-OE1 2.71Å; K683-E687 PolarHBondContact O-N 3.01Å; L684-E687 WeakPolarHBondContact O-CB 3.12Å; L684-E687 PolarHBondContact O-N 3.19Å; Q685-E687 VanDerWaalsContact C-N 3.26Å; Q685-E687 PolarHBondContact O-N 3.4Å; E687-D689 VanDerWaalsContact C-N 3.31Å; E687-D689 PolarHBondContact O-N 2.97Å; E687-S690 PolarHBondContact O-N 3.19Å; E687-S690 PolarHBondContact O-OG 2.88Å; E687-L691 HydrophobicContact CG-CD1 4.39Å; E687-L691 WeakPolarHBondContact O-CG 3.33Å; E687-L691 PolarHBondContact O-N 3.26Å
688	S	88.7	Confident	80.8	Confident	3 Å²	3	86.9 Å²	86.9	2%	0.021	44%	0.44	C	S	.	.	H	α-helix	trans	-50.9	-50.5	173.8	140.3	0	0	0	0	111.8	L684 Q685 S690 L691 K692	L684-S688 PolarHBondContact O-N 3.47Å; Q685-S688 PolarHBondContact NE2-OG 2.81Å; Q685-S688 VanDerWaalsContact O-CB 3.31Å; Q685-S688 WeakPolarHBondContact O-CB 3.32Å; Q685-S688 PolarHBondContact O-N 2.87Å; Q685-S688 VanDerWaalsContact O-N 3.15Å; S688-S690 VanDerWaalsContact C-N 3.27Å; S688-S690 PolarHBondContact O-N 3.35Å; S688-L691 PolarHBondContact O-N 3.18Å; S688-K692 WeakPolarHBondContact O-CG 3.48Å; S688-K692 PolarHBondContact O-N 2.63Å; S688-K692 PolarHBondContact OG-NZ 3.37Å
689	D	85.5	Confident	78.5	Confident	57 Å²	57	91 Å²	91	31%	0.305	46%	0.456	S	S	.	.	H	α-helix	trans	-76.5	-21.6	-171.2	-57.3	-12	0	0	0	111.1	Q685 E687 R693	Q685-D689 PolarHBondContact NE2-OD1 3.26Å; Q685-D689 PolarHBondContact NE2-OD2 2.91Å; Q685-D689 PolarHBondContact O-N 3.07Å; E687-D689 VanDerWaalsContact C-N 3.31Å; E687-D689 PolarHBondContact O-N 2.97Å; D689-R693 WeakPolarHBondContact O-CG 3.35Å; D689-R693 PolarHBondContact O-N 3.37Å; D689-R693 PolarHBondContact O-NE 2.83Å; D689-R693 PolarHBondContact O-NH2 3.26Å
690	S	83.1	Confident	76	Confident	53 Å²	53	90.6 Å²	90.6	37%	0.371	46%	0.459	S	S	.	.	H	α-helix	trans	-73.3	-42.6	168.7	75.3	0	0	0	0	111.6	K686 E687 S688 R693 T694	K686-S690 WeakPolarHBondContact O-CB 3.38Å; K686-S690 PolarHBondContact O-N 3.08Å; K686-S690 PolarHBondContact O-OG 2.89Å; E687-S690 PolarHBondContact O-N 3.19Å; E687-S690 PolarHBondContact O-OG 2.88Å; S688-S690 VanDerWaalsContact C-N 3.27Å; S688-S690 PolarHBondContact O-N 3.35Å; S690-R693 PolarHBondContact O-N 3.44Å; S690-T694 PolarHBondContact O-N 3.04Å; S690-T694 PolarHBondContact O-OG1 3.05Å; S690-T694 VanDerWaalsContact O-OG1 3.13Å
691	L	79.5	Confident	73.5	Confident	93 Å²	93	92.4 Å²	92.4	49%	0.487	48%	0.478	S	S	.	.	H	α-helix	trans	-65.4	-42.7	178.9	-73.3	164.9	0	0	0	111.9	L650 E687 S688 T694 A695	L650-L691 HydrophobicContact CD2-CD1 3.6Å; E687-L691 HydrophobicContact CG-CD1 4.39Å; E687-L691 WeakPolarHBondContact O-CG 3.33Å; E687-L691 PolarHBondContact O-N 3.26Å; S688-L691 PolarHBondContact O-N 3.18Å; L691-T694 VanDerWaalsContact CA-OG1 3.32Å; L691-T694 WeakPolarHBondContact CA-OG1 3.4Å; L691-T694 PolarHBondContact O-N 3Å; L691-T694 PolarHBondContact O-OG1 3.47Å; L691-A695 PolarHBondContact O-N 2.81Å
692	K	78.4	Confident	71.3	Confident	108 Å²	108	94.2 Å²	94.2	47%	0.47	50%	0.495	S	S	.	.	H	α-helix	trans	-58.2	-50.1	173.8	-73.1	163.2	-178.1	159.5	0	111.3	S688 T694 A695 E696	S688-K692 WeakPolarHBondContact O-CG 3.48Å; S688-K692 PolarHBondContact O-N 2.63Å; S688-K692 PolarHBondContact OG-NZ 3.37Å; K692-T694 VanDerWaalsContact C-N 3.32Å; K692-T694 PolarHBondContact O-N 3.42Å; K692-A695 WeakPolarHBondContact O-CB 3.32Å; K692-A695 PolarHBondContact O-N 2.73Å; K692-A695 VanDerWaalsContact O-N 3.11Å; K692-E696 WeakPolarHBondContact O-CG 3.18Å; K692-E696 PolarHBondContact O-N 2.95Å
693	R	72.4	Confident	68.8	Low	142 Å²	142	97.7 Å²	97.7	54%	0.536	51%	0.511	S	S	.	.	H	α-helix	trans	-63.4	-31.9	176	-78.7	176	-71.6	170.5	-2.8	113.5	D689 S690 N697	D689-R693 WeakPolarHBondContact O-CG 3.35Å; D689-R693 PolarHBondContact O-N 3.37Å; D689-R693 PolarHBondContact O-NE 2.83Å; D689-R693 PolarHBondContact O-NH2 3.26Å; S690-R693 PolarHBondContact O-N 3.44Å; R693-N697 WeakPolarHBondContact O-CB 3.41Å; R693-N697 PolarHBondContact O-N 2.86Å; R693-N697 VanDerWaalsContact O-N 3.14Å; R693-N697 PolarHBondContact O-ND2 2.81Å
694	T	68.9	Low	66	Low	93 Å²	93	99.8 Å²	99.8	57%	0.571	52%	0.523	S	S	*	.	H	α-helix	trans	-74.7	-29.5	173.4	46.6	0	0	0	0	113.2	S690 L691 K692 G698	S690-T694 PolarHBondContact O-N 3.04Å; S690-T694 PolarHBondContact O-OG1 3.05Å; S690-T694 VanDerWaalsContact O-OG1 3.13Å; L691-T694 VanDerWaalsContact CA-OG1 3.32Å; L691-T694 WeakPolarHBondContact CA-OG1 3.4Å; L691-T694 PolarHBondContact O-N 3Å; L691-T694 PolarHBondContact O-OG1 3.47Å; K692-T694 VanDerWaalsContact C-N 3.32Å; K692-T694 PolarHBondContact O-N 3.42Å; T694-G698 PolarHBondContact O-N 2.8Å
695	A	67.3	Low	63.3	Low	72 Å²	72	104.8 Å²	104.8	60%	0.595	56%	0.556	S	S	*	*	H	α-helix	trans	-70.4	-43.8	172.6	0	0	0	0	0	111.7	L691 K692 N697 G698	L691-A695 PolarHBondContact O-N 2.81Å; K692-A695 WeakPolarHBondContact O-CB 3.32Å; K692-A695 PolarHBondContact O-N 2.73Å; K692-A695 VanDerWaalsContact O-N 3.11Å; A695-N697 VanDerWaalsContact C-N 3.35Å; A695-N697 PolarHBondContact O-N 3.29Å; A695-G698 PolarHBondContact O-N 3.17Å
696	E	56.2	Low	61	Low	142 Å²	142	108.8 Å²	108.8	66%	0.664	58%	0.58	S	S	*	*	H	α-helix	trans	-61	-41.1	175.4	-69.7	172.5	141.2	0	0	112.2	K692 G698	K692-E696 WeakPolarHBondContact O-CG 3.18Å; K692-E696 PolarHBondContact O-N 2.95Å; E696-G698 PolarHBondContact O-N 3.47Å
697	N	59	Low	58.4	Low	143 Å²	143	107.1 Å²	107.1	77%	0.765	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-2.3	174.7	-72.6	-64.2	0	0	0	114	R693 A695	R693-N697 WeakPolarHBondContact O-CB 3.41Å; R693-N697 PolarHBondContact O-N 2.86Å; R693-N697 VanDerWaalsContact O-N 3.14Å; R693-N697 PolarHBondContact O-ND2 2.81Å; A695-N697 VanDerWaalsContact C-N 3.35Å; A695-N697 PolarHBondContact O-N 3.29Å
698	G	52.5	Low	55.9	Low	58 Å²	58	113.4 Å²	113.4	60%	0.598	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-4	178.7	0	0	0	0	0	114.7	T694 A695 E696 D700	T694-G698 PolarHBondContact O-N 2.8Å; A695-G698 PolarHBondContact O-N 3.17Å; E696-G698 PolarHBondContact O-N 3.47Å; G698-D700 PolarHBondContact O-N 2.94Å
699	Y	40.8	Very low	53.6	Low	187 Å²	187	124.5 Å²	124.5	73%	0.733	66%	0.657	S	S	*	*			trans	-81.2	77.7	-177.1	-169.8	-96.8	0	0	0	112.1	S701	Y699-S701 PolarHBondContact O-N 3.17Å
700	D	40	Very low	51.1	Low	124 Å²	124	130.9 Å²	130.9	66%	0.663	69%	0.685	S	S	*	*			trans	-78.4	109.6	162.7	-170.7	-22.9	0	0	0	109.2	G698 S702	G698-D700 PolarHBondContact O-N 2.94Å; D700-S702 PolarHBondContact O-N 2.93Å; D700-S702 VanDerWaalsContact OD1-CB 3.27Å; D700-S702 WeakPolarHBondContact OD1-CB 3.5Å; D700-S702 PolarHBondContact OD1-N 3.09Å; D700-S702 PolarHBondContact OD1-OG 3.38Å
701	S	40.1	Very low	48.6	Very low	94 Å²	94	140.3 Å²	140.3	66%	0.657	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	34.2	-172.5	-167.7	0	0	0	0	113.9	Y699	Y699-S701 PolarHBondContact O-N 3.17Å
702	S	45	Very low	46.5	Very low	80 Å²	80	143.5 Å²	143.5	56%	0.559	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.7	3.4	-169.7	65.1	0	0	0	0	116.2	D700	D700-S702 PolarHBondContact O-N 2.93Å; D700-S702 VanDerWaalsContact OD1-CB 3.27Å; D700-S702 WeakPolarHBondContact OD1-CB 3.5Å; D700-S702 PolarHBondContact OD1-N 3.09Å; D700-S702 PolarHBondContact OD1-OG 3.38Å
703	Q	37	Very low	44.3	Very low	178 Å²	178	146 Å²	146	83%	0.832	75%	0.748	S	S	*	*			trans	-131	75.8	174.6	-64.8	-167.3	17	0	0	113.3
704	E	33.3	Very low	42.3	Very low	190 Å²	190	144.9 Å²	144.9	89%	0.888	75%	0.752	S	S	*	*			trans	-79.1	128.2	153.9	-74.1	-165.9	121.8	0	0	109.9	D706	E704-D706 PolarHBondContact O-N 2.91Å
705	P	34.2	Very low	40.6	Very low	118 Å²	118	146.3 Å²	146.3	77%	0.766	76%	0.763	S	S	*	*			trans	-76	107.8	160	-7.7	25.3	0	0	0	108.6	A707	P705-A707 PolarHBondContact O-N 2.99Å
706	D	39	Very low	39.1	Very low	155 Å²	155	147.6 Å²	147.6	83%	0.829	77%	0.768	S	S	*	*			trans	-67.9	90.5	-178.8	-171.2	0.7	0	0	0	111.4	E704	E704-D706 PolarHBondContact O-N 2.91Å
707	A	36.5	Very low	38	Very low	89 Å²	89	143.7 Å²	143.7	74%	0.736	76%	0.76	S	S	*	*			trans	-136	28.2	-171.1	0	0	0	0	0	113.3	P705	P705-A707 PolarHBondContact O-N 2.99Å
708	K	37.4	Very low	36.9	Very low	203 Å²	203	142.6 Å²	142.6	88%	0.883	76%	0.758	S	S	*	*			trans	-126.6	36.9	-179.3	-109.1	-176.2	-178.4	178.9	0	115.4
709	R	39.8	Very low	36	Very low	236 Å²	236	143.9 Å²	143.9	89%	0.891	76%	0.763	S	S	*	*	S	Bend	trans	-136.2	47.8	171.7	-81.7	-165.6	170.7	-175.8	-0.3	115.9
710	Q	32	Very low	35.5	Very low	191 Å²	191	138.1 Å²	138.1	89%	0.893	75%	0.754	S	S	*	*			trans	-162.8	114.3	153	-119.6	171.6	2.1	0	0	113.5
711	R	30.7	Very low	35	Very low	250 Å²	250	136.9 Å²	136.9	94%	0.943	75%	0.748	S	S	*	*			trans	171.5	87.2	141.5	-98	176.1	-178.7	-171	-0.2	110.3
712	L	36.5	Very low	34.6	Very low	161 Å²	161	135.8 Å²	135.8	84%	0.843	74%	0.744	S	S	*	*			trans	-115.5	158.8	143.9	-78.8	167.5	0	0	0	106.4
713	D	32.1	Very low	34.1	Very low	160 Å²	160	139 Å²	139	86%	0.856	75%	0.752	S	S	*	*			trans	63.1	79.6	169.7	-48.8	-31.5	0	0	0	117.7
714	D	30	Very low	33.7	Very low	119 Å²	119	134.5 Å²	134.5	64%	0.636	74%	0.737	S	S	*	*			trans	-145	116.3	148	-169.6	-32.1	0	0	0	109.8	S716	D714-S716 VanDerWaalsContact C-N 3.25Å; D714-S716 PolarHBondContact O-N 3.24Å; D714-S716 VanDerWaalsContact OD1-CB 3.31Å; D714-S716 WeakPolarHBondContact OD1-CB 3.23Å; D714-S716 PolarHBondContact OD1-N 2.88Å
715	P	33.7	Very low	33.5	Very low	122 Å²	122	130.8 Å²	130.8	79%	0.792	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-68.1	-12.2	-178.8	-21.7	34.2	0	0	0	116	A717	P715-A717 VanDerWaalsContact C-N 3.29Å; P715-A717 PolarHBondContact O-N 3.33Å
716	S	35.5	Very low	33.4	Very low	99 Å²	99	129.5 Å²	129.5	69%	0.692	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-71.1	-19.1	-170.1	-167.1	0	0	0	0	114.5	D714 V718	D714-S716 VanDerWaalsContact C-N 3.25Å; D714-S716 PolarHBondContact O-N 3.24Å; D714-S716 VanDerWaalsContact OD1-CB 3.31Å; D714-S716 WeakPolarHBondContact OD1-CB 3.23Å; D714-S716 PolarHBondContact OD1-N 2.88Å; S716-V718 VanDerWaalsContact C-N 3.29Å; S716-V718 PolarHBondContact O-N 3.46Å; S716-V718 VanDerWaalsContact O-N 3.15Å
717	A	32.4	Very low	33.1	Very low	61 Å²	61	129.6 Å²	129.6	50%	0.504	70%	0.703	S	S	.	*	G	3₁₀ helix	trans	-71.8	-8.9	-168.1	0	0	0	0	0	116.5	P715 A719	P715-A717 VanDerWaalsContact C-N 3.29Å; P715-A717 PolarHBondContact O-N 3.33Å; A717-A719 PolarHBondContact O-N 3.28Å
718	V	35.9	Very low	32.7	Very low	119 Å²	119	127.6 Å²	127.6	72%	0.721	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-68.1	-32	-168.7	-174.9	0	0	0	0	113.3	S716	S716-V718 VanDerWaalsContact C-N 3.29Å; S716-V718 PolarHBondContact O-N 3.46Å; S716-V718 VanDerWaalsContact O-N 3.15Å
719	A	33.4	Very low	32.7	Very low	85 Å²	85	121.4 Å²	121.4	70%	0.702	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-33.7	-177.6	0	0	0	0	0	113.5	A717	A717-A719 PolarHBondContact O-N 3.28Å
720	A	30.3	Very low	32.3	Very low	66 Å²	66	112.4 Å²	112.4	55%	0.545	64%	0.637	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71	-33.6	-174.2	0	0	0	0	0	113.2	A722 M723 T724	A720-A722 VanDerWaalsContact C-N 3.25Å; A720-A722 PolarHBondContact O-N 3.39Å; A720-M723 PolarHBondContact O-N 2.98Å; A720-T724 PolarHBondContact O-OG1 3Å
721	N	30.8	Very low	32.4	Very low	99 Å²	99	106.4 Å²	106.4	53%	0.529	62%	0.616	S	S	.	*	H	α-helix	trans	-65.3	-26	-175.7	-73.5	-11.4	0	0	0	113.6	M723 T724 D725	N721-M723 VanDerWaalsContact C-N 3.27Å; N721-M723 PolarHBondContact O-N 3.06Å; N721-T724 PolarHBondContact O-N 3.46Å; N721-T724 VanDerWaalsContact O-N 3.15Å; N721-D725 PolarHBondContact O-N 2.84Å
722	A	32	Very low	32.4	Very low	71 Å²	71	96.7 Å²	96.7	59%	0.587	59%	0.589	S	S	*	*	H	α-helix	trans	-63.2	-30.8	-179.5	0	0	0	0	0	113.3	A720	A720-A722 VanDerWaalsContact C-N 3.25Å; A720-A722 PolarHBondContact O-N 3.39Å
723	M	32.8	Very low	32.6	Very low	146 Å²	146	93.2 Å²	93.2	72%	0.719	57%	0.565	S	S	*	*	H	α-helix	trans	-77.3	-39.2	173.5	-68	-173.3	174.9	0	0	111.6	A720 N721 D725 M726 Q727	A720-M723 PolarHBondContact O-N 2.98Å; N721-M723 VanDerWaalsContact C-N 3.27Å; N721-M723 PolarHBondContact O-N 3.06Å; M723-D725 PolarHBondContact O-N 3.35Å; M723-M726 WeakPolarHBondContact O-CB 3.29Å; M723-M726 PolarHBondContact O-N 3.44Å; M723-Q727 PolarHBondContact O-N 3.41Å
724	T	29.2	Very low	32.9	Very low	85 Å²	85	88.2 Å²	88.2	52%	0.521	54%	0.539	S	S	.	.	H	α-helix	trans	-62	-42.9	178.4	-37	0	0	0	0	111.7	A720 N721 M726 Q727 A728	A720-T724 PolarHBondContact O-OG1 3Å; N721-T724 PolarHBondContact O-N 3.46Å; N721-T724 VanDerWaalsContact O-N 3.15Å; T724-M726 PolarHBondContact O-N 3.32Å; T724-Q727 PolarHBondContact O-N 2.72Å; T724-A728 WeakPolarHBondContact O-CB 3.22Å; T724-A728 PolarHBondContact O-N 2.78Å
725	D	29.3	Very low	33	Very low	112 Å²	112	89 Å²	89	60%	0.599	53%	0.534	S	S	*	.	H	α-helix	trans	-61.4	-31.7	176.3	-86.6	-22.3	0	0	0	112.5	N721 M723 N729	N721-D725 PolarHBondContact O-N 2.84Å; M723-D725 PolarHBondContact O-N 3.35Å; D725-N729 WeakPolarHBondContact O-CB 3.43Å; D725-N729 PolarHBondContact O-N 2.87Å
726	M	32.4	Very low	32.9	Very low	91 Å²	91	88.2 Å²	88.2	45%	0.448	52%	0.523	S	S	.	.	H	α-helix	trans	-67.9	-43.1	177.8	-163.9	178.8	-176.9	0	0	111.5	K506 M723 T724 S730	K506-M726 HydrophobicContact CB-CE 3.77Å; K506-M726 HydrophobicContact CD-CE 3.64Å; K506-M726 HydrophobicContact CG-CE 4.34Å; M723-M726 WeakPolarHBondContact O-CB 3.29Å; M723-M726 PolarHBondContact O-N 3.44Å; T724-M726 PolarHBondContact O-N 3.32Å; M726-S730 PolarHBondContact O-N 2.98Å; M726-S730 PolarHBondContact O-OG 3.47Å; M726-S730 VanDerWaalsContact O-OG 3.1Å
727	Q	31.6	Very low	32.8	Very low	156 Å²	156	90.4 Å²	90.4	73%	0.729	52%	0.516	S	S	*	.	H	α-helix	trans	-71.7	-36.5	176	-127.5	174.4	3.4	0	0	112.2	M723 T724 S731	M723-Q727 PolarHBondContact O-N 3.41Å; T724-Q727 PolarHBondContact O-N 2.72Å; Q727-S731 WeakPolarHBondContact O-CB 3.35Å; Q727-S731 PolarHBondContact O-N 2.94Å; Q727-S731 PolarHBondContact O-OG 3.37Å
728	A	28.2	Very low	33.3	Very low	47 Å²	47	88.6 Å²	88.6	39%	0.388	50%	0.496	S	S	.	.	H	α-helix	trans	-64.8	-41.5	173.8	0	0	0	0	0	111.7	T724 S731 A732	T724-A728 WeakPolarHBondContact O-CB 3.22Å; T724-A728 PolarHBondContact O-N 2.78Å; A728-S731 WeakPolarHBondContact CA-OG 3.35Å; A728-S731 PolarHBondContact O-N 3.44Å; A728-S731 PolarHBondContact O-OG 3.46Å; A728-S731 VanDerWaalsContact O-OG 3.05Å; A728-A732 WeakPolarHBondContact O-CB 3.3Å; A728-A732 PolarHBondContact O-N 2.95Å
729	N	37.7	Very low	33.1	Very low	74 Å²	74	89.3 Å²	89.3	40%	0.396	49%	0.491	S	S	.	.	H	α-helix	trans	-69.1	-44.5	178.1	-165.9	29.9	0	0	0	111.3	D725 S731 A732 Y733	D725-N729 WeakPolarHBondContact O-CB 3.43Å; D725-N729 PolarHBondContact O-N 2.87Å; N729-S731 VanDerWaalsContact C-N 3.33Å; N729-S731 PolarHBondContact O-N 2.99Å; N729-A732 PolarHBondContact O-N 3.35Å; N729-Y733 WeakPolarHBondContact O-CD2 3.34Å; N729-Y733 PolarHBondContact O-N 3.32Å; N729-Y733 WeakPolarHBondContact OD1-CD2 3.47Å; N729-Y733 WeakPolarHBondContact OD1-CE2 3.34Å
730	S	32.2	Very low	33	Very low	47 Å²	47	92.6 Å²	92.6	33%	0.329	49%	0.492	S	S	.	.	H	α-helix	trans	-58.3	-42.3	174.5	-64	0	0	0	0	112.8	M726 N734	M726-S730 PolarHBondContact O-N 2.98Å; M726-S730 PolarHBondContact O-OG 3.47Å; M726-S730 VanDerWaalsContact O-OG 3.1Å; S730-N734 WeakPolarHBondContact O-CB 3.46Å; S730-N734 PolarHBondContact O-N 3.41Å; S730-N734 VanDerWaalsContact O-N 3.16Å
731	S	32.6	Very low	33.3	Very low	65 Å²	65	94.7 Å²	94.7	46%	0.455	49%	0.491	S	S	.	.	H	α-helix	trans	-72.5	-35.4	175.7	51.5	0	0	0	0	113	Q727 A728 N729 N734 Y735	Q727-S731 WeakPolarHBondContact O-CB 3.35Å; Q727-S731 PolarHBondContact O-N 2.94Å; Q727-S731 PolarHBondContact O-OG 3.37Å; A728-S731 WeakPolarHBondContact CA-OG 3.35Å; A728-S731 PolarHBondContact O-N 3.44Å; A728-S731 PolarHBondContact O-OG 3.46Å; A728-S731 VanDerWaalsContact O-OG 3.05Å; N729-S731 VanDerWaalsContact C-N 3.33Å; N729-S731 PolarHBondContact O-N 2.99Å; S731-N734 CarbonylContact O-C 3.53Å; S731-N734 PolarHBondContact O-N 2.86Å; S731-Y735 PolarHBondContact O-N 3.38Å
732	A	32	Very low	33.6	Very low	46 Å²	46	94.3 Å²	94.3	38%	0.38	48%	0.483	S	S	.	.	H	α-helix	trans	-62.9	-44.5	173.7	0	0	0	0	0	112.3	A728 N729 N734 Y735 N736	A728-A732 WeakPolarHBondContact O-CB 3.3Å; A728-A732 PolarHBondContact O-N 2.95Å; N729-A732 PolarHBondContact O-N 3.35Å; A732-N734 VanDerWaalsContact C-N 3.3Å; A732-N734 PolarHBondContact O-N 3.49Å; A732-Y735 PolarHBondContact O-N 3.46Å; A732-N736 VanDerWaalsContact O-CB 3.23Å; A732-N736 WeakPolarHBondContact O-CB 3.43Å; A732-N736 PolarHBondContact O-N 3.48Å
733	Y	40.4	Very low	33.3	Very low	88 Å²	88	93.6 Å²	93.6	35%	0.345	48%	0.482	S	S	.	.	H	α-helix	trans	-60.7	-39.6	172	-91.3	-86.4	0	0	0	111.9	M543 N729 Y735	M543-Y733 HydrophobicContact CE-CD1 4Å; M543-Y733 HydrophobicContact SD-CD1 4.16Å; M543-Y733 HydrophobicContact SD-CG 4.41Å; N729-Y733 WeakPolarHBondContact O-CD2 3.34Å; N729-Y733 PolarHBondContact O-N 3.32Å; N729-Y733 WeakPolarHBondContact OD1-CD2 3.47Å; N729-Y733 WeakPolarHBondContact OD1-CE2 3.34Å; Y733-Y735 VanDerWaalsContact C-N 3.26Å; Y733-Y735 PolarHBondContact O-N 2.84Å
734	N	39.3	Very low	33.1	Very low	54 Å²	54	88.7 Å²	88.7	29%	0.289	47%	0.469	S	S	.	.	H	α-helix	trans	-76	-7.5	178.9	-146.9	21.6	0	0	0	114.2	S730 S731 A732 Y738	S730-N734 WeakPolarHBondContact O-CB 3.46Å; S730-N734 PolarHBondContact O-N 3.41Å; S730-N734 VanDerWaalsContact O-N 3.16Å; S731-N734 CarbonylContact O-C 3.53Å; S731-N734 PolarHBondContact O-N 2.86Å; A732-N734 VanDerWaalsContact C-N 3.3Å; A732-N734 PolarHBondContact O-N 3.49Å; N734-Y738 VanDerWaalsContact O-CD2 3.23Å; N734-Y738 WeakPolarHBondContact O-CD2 3.45Å; N734-Y738 WeakPolarHBondContact OD1-CE2 3.27Å
735	Y	32.2	Very low	33.5	Very low	137 Å²	137	95 Å²	95	54%	0.537	48%	0.483	S	S	.	.	H	α-helix	trans	-108.6	-46.3	173.6	-102	-109.4	0	0	0	113.3	S731 A732 Y733 Y738 Q739	S731-Y735 PolarHBondContact O-N 3.38Å; A732-Y735 PolarHBondContact O-N 3.46Å; Y733-Y735 VanDerWaalsContact C-N 3.26Å; Y733-Y735 PolarHBondContact O-N 2.84Å; Y735-Y738 PolarHBondContact O-N 3.21Å; Y735-Q739 PolarHBondContact O-N 3.27Å
736	N	31.6	Very low	33.6	Very low	104 Å²	104	92.6 Å²	92.6	56%	0.556	48%	0.484	S	S	*	.	H	α-helix	trans	-71.7	-47.2	-165.3	-159.4	0.4	0	0	0	112.3	A732 Y738 Q739 Q740	A732-N736 VanDerWaalsContact O-CB 3.23Å; A732-N736 WeakPolarHBondContact O-CB 3.43Å; A732-N736 PolarHBondContact O-N 3.48Å; N736-Y738 VanDerWaalsContact C-N 3.28Å; N736-Y738 PolarHBondContact O-N 3.25Å; N736-Q739 PolarHBondContact O-N 3.28Å; N736-Q740 PolarHBondContact O-N 3.18Å; N736-Q740 VanDerWaalsContact O-N 3.12Å
737	W	33.4	Very low	33.4	Very low	145 Å²	145	96.5 Å²	96.5	55%	0.549	50%	0.502	S	S	.	.	H	α-helix	trans	-57.9	-40.8	173.2	172.8	-99.3	0	0	0	112.2	Q741	W737-Q741 PolarHBondContact O-N 3.11Å
738	Y	40.9	Very low	33.2	Very low	23 Å²	23	95.3 Å²	95.3	9%	0.09	50%	0.5	C	S	.	.	H	α-helix	trans	-77.5	-32.6	-178.3	-70	-77	0	0	0	113.4	L546 F580 N734 Y735 N736 Y742	L546-Y738 HydrophobicContact CD1-CE1 3.89Å; L546-Y738 WeakPolarHBondContact CD1-OH 3.4Å; F580-Y738 HydrophobicContact CE2-CD1 4.03Å; F580-Y738 AromaticContact CE2-CE1 3.79Å; F580-Y738 HydrophobicContact CE2-CE1 3.79Å; F580-Y738 HydrophobicContact CZ-CD1 4.28Å; F580-Y738 AromaticContact CZ-CE1 3.57Å; F580-Y738 HydrophobicContact CZ-CE1 3.57Å; F580-Y738 AromaticContact CZ-CZ 3.7Å; N734-Y738 VanDerWaalsContact O-CD2 3.23Å; N734-Y738 WeakPolarHBondContact O-CD2 3.45Å; N734-Y738 WeakPolarHBondContact OD1-CE2 3.27Å; Y735-Y738 PolarHBondContact O-N 3.21Å; N736-Y738 VanDerWaalsContact C-N 3.28Å; N736-Y738 PolarHBondContact O-N 3.25Å; Y738-Y742 WeakPolarHBondContact O-CD2 3.47Å; Y738-Y742 PolarHBondContact O-N 3.24Å
739	Q	32.2	Very low	33	Very low	134 Å²	134	98.2 Å²	98.2	63%	0.626	52%	0.518	S	S	*	.	H	α-helix	trans	-66.5	-44.2	172.1	-81.4	-146.7	1.3	0	0	111.7	Y735 N736 Q741 Y742 G743	Y735-Q739 PolarHBondContact O-N 3.27Å; N736-Q739 PolarHBondContact O-N 3.28Å; Q739-Q741 PolarHBondContact O-N 3.4Å; Q739-Y742 PolarHBondContact O-N 2.97Å; Q739-Y742 VanDerWaalsContact O-N 3.16Å; Q739-G743 PolarHBondContact O-N 3.14Å
740	Q	32.6	Very low	32.6	Very low	154 Å²	154	103.3 Å²	103.3	72%	0.72	53%	0.532	S	S	*	.	H	α-helix	trans	-58.6	-37.2	177.5	-75.5	-172.6	-20.6	0	0	112.5	N736	N736-Q740 PolarHBondContact O-N 3.18Å; N736-Q740 VanDerWaalsContact O-N 3.12Å
741	Q	34.9	Very low	32.6	Very low	111 Å²	111	104.8 Å²	104.8	52%	0.519	55%	0.554	S	S	.	*	H	α-helix	trans	-81.4	-14.4	-179.9	-159.3	166.9	50.9	0	0	114.7	W737 Q739	W737-Q741 PolarHBondContact O-N 3.11Å; Q739-Q741 PolarHBondContact O-N 3.4Å
742	Y	37.2	Very low	32.1	Very low	91 Å²	91	111.3 Å²	111.3	36%	0.357	58%	0.577	S	S	.	*	H	α-helix	trans	-114.1	-21.6	-179.5	-82.2	-100.2	0	0	0	114.7	K584 Y738 Q739 G744 W745	K584-Y742 PolarHBondContact NZ-OH 3.48Å; Y738-Y742 WeakPolarHBondContact O-CD2 3.47Å; Y738-Y742 PolarHBondContact O-N 3.24Å; Q739-Y742 PolarHBondContact O-N 2.97Å; Q739-Y742 VanDerWaalsContact O-N 3.16Å; Y742-G744 PolarHBondContact O-N 3.07Å; Y742-W745 PolarHBondContact O-N 3.5Å
743	G	27.5	Very low	31.7	Very low	55 Å²	55	119 Å²	119	57%	0.567	60%	0.598	S	S	*	*	H	α-helix	trans	-64.4	-37.4	-179.4	0	0	0	0	0	113.6	Q739 W745	Q739-G743 PolarHBondContact O-N 3.14Å; G743-W745 PolarHBondContact O-N 2.87Å
744	G	28.8	Very low	30.9	Very low	43 Å²	43	121.5 Å²	121.5	44%	0.443	62%	0.617	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.6	-9.3	-178.1	0	0	0	0	0	116.2	Y742	Y742-G744 PolarHBondContact O-N 3.07Å
745	W	36	Very low	30.2	Very low	219 Å²	219	128 Å²	128	83%	0.83	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118	2	-171.4	-72.7	93	0	0	0	114.5	Y742 G743	Y742-W745 PolarHBondContact O-N 3.5Å; G743-W745 PolarHBondContact O-N 2.87Å
746	G	31.4	Very low	29.9	Very low	60 Å²	60	132.8 Å²	132.8	62%	0.619	67%	0.665	S	S	*	*	S	Bend	trans	-94.3	-5.3	174.4	0	0	0	0	0	115.2
747	Q	29.6	Very low	29.6	Very low	174 Å²	174	131.8 Å²	131.8	81%	0.813	67%	0.671	S	S	*	*	S	Bend	trans	-126.4	-8.7	-165.1	-147.2	174.8	22.9	0	0	114.8
748	N	25.8	Very low	29.1	Very low	130 Å²	130	134.2 Å²	134.2	70%	0.695	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-85.8	118.7	-179.7	-73.1	-1.2	0	0	0	110.8
749	S	25.8	Very low	28.3	Very low	109 Å²	109	143.6 Å²	143.6	76%	0.762	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-70.9	173.8	175.3	-164.1	0	0	0	0	112.3	G751	S749-G751 PolarHBondContact O-N 2.78Å
750	W	29	Very low	27.9	Very low	181 Å²	181	144 Å²	144	69%	0.686	73%	0.731	S	S	*	*	S	Bend	trans	-50.2	126.2	-178.3	-66.2	84.2	0	0	0	113.8	F667	F667-W750 HydrophobicContact CE2-CH2 4.04Å; F667-W750 AromaticContact CE2-CZ2 3.86Å; F667-W750 HydrophobicContact CE2-CZ2 3.86Å; F667-W750 AromaticContact CZ-CH2 3.59Å; F667-W750 HydrophobicContact CZ-CH2 3.59Å; F667-W750 AromaticContact CZ-CZ2 3.8Å; F667-W750 HydrophobicContact CZ-CZ2 3.8Å; F667-W750 HydrophobicContact CZ-CZ3 4.37Å
751	G	30.8	Very low	27.5	Very low	77 Å²	77	144.3 Å²	144.3	79%	0.794	73%	0.733	S	S	*	*			trans	92.5	67	150	0	0	0	0	0	118.8	S749	S749-G751 PolarHBondContact O-N 2.78Å
752	Q	23.3	Very low	27.1	Very low	202 Å²	202	150 Å²	150	94%	0.944	75%	0.751	S	S	*	*			trans	-149.6	155.3	150.2	-120.9	172.5	9.4	0	0	112.7
753	Y	23.7	Very low	26.5	Very low	209 Å²	209	155.4 Å²	155.4	82%	0.82	77%	0.773	S	S	*	*			trans	-129.6	148.5	-173.3	-138.7	-87	0	0	0	110
754	N	23.4	Very low	26.7	Very low	140 Å²	140	158 Å²	158	75%	0.749	78%	0.779	S	S	*	*			trans	61	118.1	-177.1	-64.5	-18.4	0	0	0	115.2
755	Q	23.8	Very low	26.8	Very low	190 Å²	190	161.5 Å²	161.5	89%	0.888	79%	0.794	S	S	*	*				-150.6	152	75.3	-113.5	175.6	-6.1	0	0	113.5
756	Y	25.8	Very low	26.4	Very low	238 Å²	238	156.5 Å²	156.5	93%	0.933	79%	0.79	S	S	*	*			trans	-92.8	133.2	163.2	-91.2	-100.5	0	0	0	109.8
757	A	25.1	Very low	26.6	Very low	83 Å²	83	159.9 Å²	159.9	69%	0.686	80%	0.801	S	S	*	*			trans	-137.5	116.5	164.3	0	0	0	0	0	106.7
758	Q	24.1	Very low	27	Very low	195 Å²	195	161.9 Å²	161.9	91%	0.911	83%	0.825	S	S	*	*				69.1	129.8	90.4	-85.6	-174.7	-27.7	0	0	114.5
759	Y	23.9	Very low	27	Very low	220 Å²	220	163.5 Å²	163.5	86%	0.863	83%	0.832	S	S	*	*			trans	-80.9	148.1	-177.6	-97.5	-107.1	0	0	0	112.5
760	N	24.3	Very low	27.1	Very low	142 Å²	142	166.3 Å²	166.3	76%	0.759	84%	0.835	S	S	*	*			trans	15.2	107.9	154.8	-63.7	1.7	0	0	0	119
761	Q	23.1	Very low	27	Very low	161 Å²	161	165.5 Å²	165.5	75%	0.752	84%	0.844	S	S	*	*			trans	-139.3	128.4	135.4	-85.3	-63.7	-1.2	0	0	108.8
762	Y	26.4	Very low	26.8	Very low	230 Å²	230	170.7 Å²	170.7	90%	0.902	85%	0.847	S	S	*	*			trans	-148.3	96.7	172.6	-106.1	-71.1	0	0	0	110.1
763	Y	25.1	Very low	27	Very low	206 Å²	206	168.8 Å²	168.8	81%	0.808	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-87.1	143.4	159.3	-96.8	-102.3	0	0	0	109.3
764	P	31.2	Very low	27.2	Very low	109 Å²	109	166.1 Å²	166.1	71%	0.708	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-75.4	144.7	167.4	32.1	-33.2	0	0	0	110.7
765	P	31.1	Very low	27.5	Very low	116 Å²	116	167.9 Å²	167.9	75%	0.753	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-72.4	155.9	172	31.4	-34.8	0	0	0	111.8
766	P	26.8	Very low	27.8	Very low	115 Å²	115	166.2 Å²	166.2	75%	0.747	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-70.8	157	176.6	31.1	-35.9	0	0	0	112.3
767	P	37.4	Very low	28	Very low	130 Å²	130	160.3 Å²	160.3	84%	0.844	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-73.7	151.4	177.1	31.7	-35.6	0	0	0	112.7
768	T	37.1	Very low	28.2	Very low	216 Å²	216	167.3 Å²	167.3	100%	1.325	85%	0.852	S	S	*	*			trans	-103.2	0	166.1	56.2	0	0	0	0	110.6

Retrieved 768 of 768 residues in 1512.4 ms (Link to these results)

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