A0A096NN31_PAPAN Loading...

Pre-mRNA-processing factor 6

Involved in pre-mRNA splicing as component of the U4/U6-U5 tri-snRNP complex, one of the building blocks of the spliceosome. Enhances dihydrotestosterone-induced transactivation activity of AR, as well as dexamethasone-induced transactivation activity of NR3C1, but does not affect estrogen-induced transactivation.

AlphaFold DB , UniProt , Accession A0A096NN31, Species PAPAN (Papio anubis, Olive baboon), Gene PRPF6, Length 941 aa.

						>A0A096NN31_PAPAN|A0A096NN31|PRPF6
MNKKKKPFLGMPAPLGYVPGLGRGATGFTTRSDIGPARDANDPVDDRHAPPGKRTVGDQMKKNQAADDDDEDLNDTNYDEFNGYAGSLFSSGPYEKDDEEADAIYAALDKRMDERRKERREQREKEEIEKYRMERPKIQQQFSDLKRKLAEVTEEEWLSIPEVGDARNKRQRNPRYEKLTPVPDSFFAKHLQTGENHTSVDPRQTQFGGLNTPYPGGLNTPYPGGMTPGLMTPGTGELDMRKIGQARNTLMDMRLSQVSDSVSGQTVVDPKGYLTDLNSMIPTHGGDINDIKKARLLLKSVRETNPHHPPAWIASARLEEVTGKLQVARNLIMKGTEMCPKSEDVWLEAARLQPGDTAKAVVAQAVRHLPQSVRIYIRAAELETDIRAKKRVLRKALEHVPNSVRLWKAAVELEEPEDARIMLSRAVECCPTSVELWLALARLETYENARKVLNKARENIPTDRHIWITAAKLEEANGNTQMVEKIIDRAITSLRANGVEINREQWIQDAEECDRAGSVATCQAAVRAVIGIGIEEEDRKHTWMEDADSCVAHNALECARAIYAYALQVFPSKKSVWLRAAYFEKNHGTRESLEALLQRAVAHCPKAEVLWLMGAKSKWLAGDVPAARSILALAFQANPNSEEIWLAAVKLESENDEYERARRLLAKARSSAPTARVFMKSVKLEWVQDNIRAAQDLCEEALRHYEDFPKLWMMKGQIEEQKEMMENAREAYNQGLKKCPHSTPLWLLLSRLEEKVGQLTRARAILEKSRLKNPKNPGLWLESVRLEYRAGLKNIANTLMAKALQECPNSGILWSEAIFLEARPQRRTKSVDALKKCEHDPHVLLAVAKLFWSQRKITKAREWFHRTVKIDSDLGDAWAFFYKFELQHGTEEQQEEVRKRCESAEPRHGELWCAVSKDIANWQKKIGDILRLVAGRIRNAF
					

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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	38.8	Very low	56.1	Low	243 Å²	243	160.8 Å²	160.8	100%	1.197	81%	0.811	S	S	*	*				0	122.9	0	-74.4	-163.8	173.1	0	0	109.8
2	N	38.9	Very low	56.9	Low	150 Å²	150	157.5 Å²	157.5	80%	0.802	81%	0.809	S	S	*	*			trans	-86.8	110.8	-167.4	-143.9	-10	0	0	0	110.4	K4	N2-K4 PolarHBondContact O-N 3.16Å
3	K	51.5	Low	57.6	Low	213 Å²	213	151.6 Å²	151.6	93%	0.926	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	17	-173	-76.1	-176.9	175.7	178.8	0	115.7
4	K	55.5	Low	58.7	Low	200 Å²	200	147.9 Å²	147.9	87%	0.87	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.7	1.5	-175.6	-74.7	-169.7	177.3	-179.8	0	115.9	N2	N2-K4 PolarHBondContact O-N 3.16Å
5	K	50.7	Low	59.3	Low	189 Å²	189	147.2 Å²	147.2	82%	0.822	78%	0.783	S	S	*	*	S	Bend	trans	-112.6	116.8	166.4	-79.3	-173.4	174.3	-175.8	0	109.4
6	K	55.4	Low	59.9	Low	155 Å²	155	143.1 Å²	143.1	67%	0.674	79%	0.786	S	S	*	*			trans	-65.2	120.9	168.8	-70.7	-177.4	179.8	179.7	0	106.9	F8 L9	K6-F8 HydrophobicContact CB-CD1 4.3Å; K6-F8 HydrophobicContact CB-CE1 3.93Å; K6-F8 HydrophobicContact CD-CE1 4.27Å; K6-F8 HydrophobicContact CD-CZ 4.43Å; K6-F8 PolarHBondContact O-N 3.23Å; K6-L9 PolarHBondContact O-N 3.21Å
7	P	62.4	Low	60.6	Low	109 Å²	109	141.2 Å²	141.2	71%	0.708	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-9.2	-161.8	23.2	-32.9	0	0	0	115.7
8	F	67.3	Low	61.1	Low	140 Å²	140	138.4 Å²	138.4	61%	0.614	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	-14.6	-175.5	66.8	-89.2	0	0	0	114.4	K6 G10	K6-F8 HydrophobicContact CB-CD1 4.3Å; K6-F8 HydrophobicContact CB-CE1 3.93Å; K6-F8 HydrophobicContact CD-CE1 4.27Å; K6-F8 HydrophobicContact CD-CZ 4.43Å; K6-F8 PolarHBondContact O-N 3.23Å; F8-G10 PolarHBondContact O-N 3.47Å
9	L	58.7	Low	61.5	Low	144 Å²	144	136.5 Å²	136.5	75%	0.754	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	111.8	179.6	-127.8	84.1	0	0	0	109.2	K6	K6-L9 PolarHBondContact O-N 3.21Å
10	G	66.4	Low	61.8	Low	83 Å²	83	131.4 Å²	131.4	86%	0.856	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	106.4	4	-178.5	0	0	0	0	0	115.3	F8	F8-G10 PolarHBondContact O-N 3.47Å
11	M	71.7	Confident	62	Low	143 Å²	143	132.2 Å²	132.2	70%	0.704	73%	0.731	S	S	*	*	S	Bend	trans	-93.7	140	165.2	-70.4	-173.9	164.3	0	0	109.9
12	P	65.6	Low	63.4	Low	121 Å²	121	122.8 Å²	122.8	79%	0.786	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-63.1	147.4	170.7	27	-32.7	0	0	0	110.3
13	A	66.4	Low	64.9	Low	81 Å²	81	125 Å²	125	67%	0.669	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-57.5	139.4	-179.7	0	0	0	0	0	111.2	L15	A13-L15 PolarHBondContact O-N 2.92Å
14	P	72	Confident	65.6	Low	99 Å²	99	118 Å²	118	64%	0.643	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-59	135.1	176.9	-20.7	31.3	0	0	0	111.1	G16 Y17	P14-G16 PolarHBondContact O-N 3.02Å; P14-Y17 PolarHBondContact O-N 3.44Å
15	L	67.8	Low	66.2	Low	138 Å²	138	110.6 Å²	110.6	72%	0.723	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	122	178.1	-76.3	160.2	0	0	0	110.5	A13	A13-L15 PolarHBondContact O-N 2.92Å
16	G	68.8	Low	67	Low	81 Å²	81	108.2 Å²	108.2	84%	0.835	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	99	-1	-178.7	0	0	0	0	0	115.3	P14 V18	P14-G16 PolarHBondContact O-N 3.02Å; G16-V18 PolarHBondContact O-N 3.36Å
17	Y	72.5	Confident	67.8	Low	112 Å²	112	104 Å²	104	44%	0.439	66%	0.661	S	S	.	*			trans	-80.6	116.3	173.5	179.3	-101.1	0	0	0	111.4	P14 P19 G22	P14-Y17 PolarHBondContact O-N 3.44Å; Y17-P19 HydrophobicContact CE1-CB 3.89Å; Y17-G22 VanDerWaalsContact CE2-C 3.5Å; Y17-G22 WeakPolarHBondContact CE2-O 3.21Å
18	V	69.5	Low	67.4	Low	91 Å²	91	108.1 Å²	108.1	55%	0.552	67%	0.668	S	S	*	*			trans	-95.5	111.9	169.9	-178.1	0	0	0	0	108.5	G16 G22	G16-V18 PolarHBondContact O-N 3.36Å; V18-G22 WeakPolarHBondContact O-CA 3.47Å; V18-G22 PolarHBondContact O-N 3.29Å
19	P	68.3	Low	66.7	Low	101 Å²	101	106.3 Å²	106.3	66%	0.656	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	139.9	179.1	24.8	-30.6	0	0	0	110.7	Y17	Y17-P19 HydrophobicContact CE1-CB 3.89Å
20	G	67.6	Low	66.3	Low	34 Å²	34	103.3 Å²	103.3	35%	0.351	66%	0.656	S	S	.	*	T	Hydrogen-bonded Turn	trans	99.4	-68.1	-172.2	0	0	0	0	0	111.8	R23 A25	G20-R23 PolarHBondContact O-N 2.82Å; G20-A25 PolarHBondContact O-N 3.37Å; G20-A25 VanDerWaalsContact O-N 3.11Å
21	L	65.8	Low	65.4	Low	149 Å²	149	111.5 Å²	111.5	78%	0.78	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-45.9	175.9	-161.5	85.1	0	0	0	112.1	R23 G24	L21-R23 PolarHBondContact O-N 3.41Å; L21-G24 PolarHBondContact O-N 3.21Å
22	G	67.5	Low	64.6	Low	46 Å²	46	109.6 Å²	109.6	47%	0.474	66%	0.662	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69	-12.8	176.6	0	0	0	0	0	114.2	Y17 V18	Y17-G22 VanDerWaalsContact CE2-C 3.5Å; Y17-G22 WeakPolarHBondContact CE2-O 3.21Å; V18-G22 WeakPolarHBondContact O-CA 3.47Å; V18-G22 PolarHBondContact O-N 3.29Å
23	R	70.6	Confident	64	Low	197 Å²	197	109 Å²	109	74%	0.743	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-10.3	170	-179.3	178.6	150.7	-168.1	-9.3	111.9	G20 L21 A25	G20-R23 PolarHBondContact O-N 2.82Å; L21-R23 PolarHBondContact O-N 3.41Å; R23-A25 HydrophobicContact CB-CB 4.49Å; R23-A25 HydrophobicContact CG-CB 4.33Å; R23-A25 PolarHBondContact O-N 3.02Å
24	G	66.4	Low	63.2	Low	65 Å²	65	111.8 Å²	111.8	67%	0.67	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.3	23.7	-171.5	0	0	0	0	0	113	L21	L21-G24 PolarHBondContact O-N 3.21Å
25	A	69.8	Low	61.7	Low	45 Å²	45	109.9 Å²	109.9	37%	0.372	65%	0.653	S	S	.	*	P	Polyproline II helix	trans	-89.9	117.7	179.4	0	0	0	0	0	109.5	G20 R23	G20-A25 PolarHBondContact O-N 3.37Å; G20-A25 VanDerWaalsContact O-N 3.11Å; R23-A25 HydrophobicContact CB-CB 4.49Å; R23-A25 HydrophobicContact CG-CB 4.33Å; R23-A25 PolarHBondContact O-N 3.02Å
26	T	66.9	Low	60.6	Low	138 Å²	138	110 Å²	110	85%	0.847	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-102	138.6	168	45.5	0	0	0	0	109.4
27	G	71.3	Confident	58.9	Low	68 Å²	68	110.8 Å²	110.8	70%	0.701	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-64.6	140	172.3	0	0	0	0	0	110.4	T29	G27-T29 PolarHBondContact O-N 3.47Å
28	F	54.3	Low	57.2	Low	194 Å²	194	117.5 Å²	117.5	85%	0.851	69%	0.685	S	S	*	*			trans	-75	115	178.5	54.5	-86.8	0	0	0	109.3	T30	F28-T30 HydrophobicContact CD2-CG2 4.48Å
29	T	53.9	Low	55.7	Low	103 Å²	103	120.5 Å²	120.5	63%	0.632	70%	0.698	S	S	*	*			trans	-86.7	133.8	171	46.2	0	0	0	0	109.5	G27	G27-T29 PolarHBondContact O-N 3.47Å
30	T	49.5	Very low	54.4	Low	81 Å²	81	120 Å²	120	50%	0.497	70%	0.702	S	S	.	*			trans	-102.7	163.5	173.9	60.5	0	0	0	0	109.8	F28 S32 D33	F28-T30 HydrophobicContact CD2-CG2 4.48Å; T30-S32 PolarHBondContact O-N 3.42Å; T30-D33 PolarHBondContact O-N 3.41Å; T30-D33 VanDerWaalsContact O-N 3.07Å
31	R	46.7	Very low	53.1	Low	255 Å²	255	125.6 Å²	125.6	96%	0.962	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	0.9	-166.4	-149.6	176.6	179.7	-178.3	-0.5	115.3
32	S	55.7	Low	51.6	Low	102 Å²	102	126.5 Å²	126.5	71%	0.713	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-21.2	173.5	-15.5	0	0	0	0	113	T30	T30-S32 PolarHBondContact O-N 3.42Å
33	D	52.6	Low	50.1	Low	109 Å²	109	129.9 Å²	129.9	58%	0.583	74%	0.743	S	S	*	*	S	Bend	trans	-97.9	1.9	-164.1	-63.1	-30	0	0	0	115.6	T30	T30-D33 PolarHBondContact O-N 3.41Å; T30-D33 VanDerWaalsContact O-N 3.07Å
34	I	48.9	Very low	48.8	Very low	140 Å²	140	127.3 Å²	127.3	72%	0.718	75%	0.749	S	S	*	*			trans	-127.5	96.8	-176.5	-52.6	175.6	0	0	0	111.1
35	G	42.1	Very low	47.1	Very low	59 Å²	59	130.2 Å²	130.2	61%	0.608	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-75	168.2	162.2	0	0	0	0	0	112.4
36	P	44.1	Very low	45.3	Very low	141 Å²	141	133.3 Å²	133.3	92%	0.916	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-70.8	140.3	-155.5	25.6	-31.2	0	0	0	114.8
37	A	34.1	Very low	43.7	Very low	97 Å²	97	136.4 Å²	136.4	80%	0.802	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-65.5	151.6	-163.4	0	0	0	0	0	116.6
38	R	36.8	Very low	41.7	Very low	252 Å²	252	140.6 Å²	140.6	95%	0.951	76%	0.757	S	S	*	*			trans	-134	147.9	152.7	-91.1	-177.5	74.5	149.9	-1.4	112.5
39	D	35.9	Very low	40.4	Very low	154 Å²	154	136 Å²	136	82%	0.824	76%	0.755	S	S	*	*			trans	-76.2	131.9	-154.7	-82.8	-57.5	0	0	0	118.6	N41	D39-N41 VanDerWaalsContact C-N 3.34Å; D39-N41 PolarHBondContact O-N 2.82Å
40	A	43.1	Very low	39.6	Very low	90 Å²	90	136.7 Å²	136.7	74%	0.744	76%	0.761	S	S	*	*	S	Bend		30.9	10.4	118	0	0	0	0	0	125.4
41	N	39	Very low	39.1	Very low	153 Å²	153	138.7 Å²	138.7	82%	0.818	78%	0.775	S	S	*	*			trans	-158.4	79.2	172	-98.5	-19.8	0	0	0	114.9	D39	D39-N41 VanDerWaalsContact C-N 3.34Å; D39-N41 PolarHBondContact O-N 2.82Å
42	D	34.2	Very low	38.3	Very low	167 Å²	167	130.3 Å²	130.3	89%	0.893	77%	0.768	S	S	*	*			trans	-160.1	145.7	143.8	-106.1	-23.8	0	0	0	111.9
43	P	36.1	Very low	37.2	Very low	118 Å²	118	135.2 Å²	135.2	77%	0.766	78%	0.777	S	S	*	*			trans	-94.4	154.5	-157.5	5.5	15.3	0	0	0	113.9
44	V	43.2	Very low	36.2	Very low	143 Å²	143	139 Å²	139	87%	0.867	78%	0.783	S	S	*	*			trans	-69.3	134.9	168.9	-79.6	0	0	0	0	111.3
45	D	30.3	Very low	35.3	Very low	126 Å²	126	139 Å²	139	67%	0.674	79%	0.79	S	S	*	*			trans	-119.6	109.6	163.4	-159.3	12	0	0	0	110.6	R47	D45-R47 IonicContact OD1-NE 2.75Å; D45-R47 IonicContact OD1-NH2 3.54Å; D45-R47 IonicContact OD2-CZ 3.52Å; D45-R47 IonicContact OD2-NE 2.85Å; D45-R47 IonicContact OD2-NH2 3.79Å; D45-R47 PolarHBondContact OD2-NH2 2.97Å
46	D	32.2	Very low	35.1	Very low	109 Å²	109	143.7 Å²	143.7	58%	0.583	81%	0.806	S	S	*	*			trans	-48.6	151.1	158.9	-90.5	-57.2	0	0	0	112.4	H48	D46-H48 IonicContact OD1-CE1 2.74Å; D46-H48 PolarHBondContact OD1-CE1 2.81Å; D46-H48 IonicContact OD1-ND1 3.87Å; D46-H48 PolarHBondContact OD1-ND1 3.29Å
47	R	33.1	Very low	34.5	Very low	204 Å²	204	140.1 Å²	140.1	77%	0.77	80%	0.795	S	S	*	*			trans	176	84.8	130	-95.5	166.1	-97.3	-168	-2.2	108.4	D45	D45-R47 IonicContact OD1-NE 2.75Å; D45-R47 IonicContact OD1-NH2 3.54Å; D45-R47 IonicContact OD2-CZ 3.52Å; D45-R47 IonicContact OD2-NE 2.85Å; D45-R47 IonicContact OD2-NH2 3.79Å; D45-R47 PolarHBondContact OD2-NH2 2.97Å
48	H	29.3	Very low	34.4	Very low	156 Å²	156	142.8 Å²	142.8	72%	0.722	80%	0.796	S	S	*	*				49	121.7	93.4	-78.3	47.8	0	0	0	114.6	D46	D46-H48 IonicContact OD1-CE1 2.74Å; D46-H48 PolarHBondContact OD1-CE1 2.81Å; D46-H48 IonicContact OD1-ND1 3.87Å; D46-H48 PolarHBondContact OD1-ND1 3.29Å
49	A	28.3	Very low	34.2	Very low	98 Å²	98	140.5 Å²	140.5	81%	0.81	80%	0.796	S	S	*	*				-164.7	152.5	111.1	0	0	0	0	0	113.5
50	P	35.6	Very low	34.1	Very low	117 Å²	117	142 Å²	142	76%	0.76	80%	0.801	S	S	*	*			trans	-113.8	-151.3	-167.5	33.6	-10.9	0	0	0	110.2
51	P	40	Very low	33.6	Very low	123 Å²	123	147.3 Å²	147.3	80%	0.799	81%	0.807	S	S	*	*				-123.7	165.1	-67.6	33.3	-17.4	0	0	0	112.2
52	G	29.4	Very low	33.1	Very low	79 Å²	79	148.7 Å²	148.7	81%	0.814	81%	0.805	S	S	*	*			trans	-140.4	124.2	169.5	0	0	0	0	0	112.6
53	K	33.3	Very low	33.1	Very low	205 Å²	205	148.1 Å²	148.1	89%	0.891	80%	0.802	S	S	*	*			trans	-83.5	120.2	-171.6	-75.3	172.2	175.5	172.6	0	113.6
54	R	32.2	Very low	32.9	Very low	187 Å²	187	150.9 Å²	150.9	71%	0.706	81%	0.805	S	S	*	*			trans	31.4	135.5	132.6	-58.9	178.4	-176.6	174.1	4.5	121.4
55	T	29.4	Very low	32.2	Very low	141 Å²	141	148.7 Å²	148.7	87%	0.865	80%	0.802	S	S	*	*				-152.8	162.2	124.2	38.5	0	0	0	0	112.9	G57	T55-G57 PolarHBondContact O-N 2.88Å; T55-G57 VanDerWaalsContact O-N 3.16Å
56	V	37.2	Very low	32.2	Very low	157 Å²	157	146.8 Å²	146.8	95%	0.952	80%	0.803	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	59.8	-157.1	-175.1	0	0	0	0	113.6
57	G	32	Very low	32.3	Very low	67 Å²	67	149.1 Å²	149.1	69%	0.691	82%	0.816	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.7	-23.8	-172.7	0	0	0	0	0	118.9	T55	T55-G57 PolarHBondContact O-N 2.88Å; T55-G57 VanDerWaalsContact O-N 3.16Å
58	D	31.1	Very low	32.9	Very low	153 Å²	153	145.9 Å²	145.9	82%	0.818	81%	0.814	S	S	*	*			trans	-115.2	19.5	-155.7	-98.1	-19.6	0	0	0	116.8	M60	D58-M60 PolarHBondContact O-N 3.22Å; D58-M60 VanDerWaalsContact O-N 3.11Å
59	Q	34.2	Very low	33.7	Very low	204 Å²	204	145.9 Å²	145.9	95%	0.953	82%	0.819	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	3.1	-175.8	-112.6	177.2	8.2	0	0	115.9
60	M	33.9	Very low	34.8	Very low	186 Å²	186	148.8 Å²	148.8	92%	0.916	82%	0.821	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	5.1	-176.8	-145.9	89.6	178.2	0	0	114.7	D58	D58-M60 PolarHBondContact O-N 3.22Å; D58-M60 VanDerWaalsContact O-N 3.11Å
61	K	31.3	Very low	36.1	Very low	201 Å²	201	150.6 Å²	150.6	87%	0.874	82%	0.82	S	S	*	*	S	Bend	trans	-153	64.4	179.2	-119.7	-179.2	-174.7	-175.5	0	114.3
62	K	29.7	Very low	37.5	Very low	182 Å²	182	149.3 Å²	149.3	79%	0.791	81%	0.806	S	S	*	*			trans	-155.3	63.4	150.1	-137	179	-177.6	-174	0	111
63	N	32.9	Very low	39.8	Very low	154 Å²	154	150.1 Å²	150.1	82%	0.824	79%	0.791	S	S	*	*			trans	-67.6	144.7	134.1	-86.5	-3.3	0	0	0	106.2
64	Q	32.3	Very low	41.9	Very low	176 Å²	176	144.7 Å²	144.7	82%	0.822	77%	0.772	S	S	*	*	S	Bend	trans	98.4	117.2	176.1	-58.6	170.2	-5.9	0	0	114.7
65	A	28.9	Very low	44	Very low	97 Å²	97	142 Å²	142	80%	0.802	77%	0.771	S	S	*	*	S	Bend	trans	92.6	106.8	178.1	0	0	0	0	0	116.3
66	A	30.4	Very low	46.4	Very low	86 Å²	86	141.1 Å²	141.1	71%	0.711	77%	0.766	S	S	*	*	S	Bend	trans	88.7	79.2	164.7	0	0	0	0	0	117.6
67	D	34	Very low	48.5	Very low	159 Å²	159	135.7 Å²	135.7	85%	0.85	73%	0.732	S	S	*	*				-158.6	96	107.7	-91.5	-18.8	0	0	0	106.6	D69	D67-D69 VanDerWaalsContact C-N 3.34Å; D67-D69 PolarHBondContact O-N 2.91Å
68	D	44.8	Very low	51	Low	136 Å²	136	138 Å²	138	73%	0.727	72%	0.72	S	S	*	*			trans	-91	28.2	-170.5	-106	-29.3	0	0	0	112.4
69	D	46.5	Very low	53.5	Low	155 Å²	155	133.8 Å²	133.8	83%	0.829	70%	0.698	S	S	*	*			trans	-139.3	27.7	-172.5	-76.7	-42.3	0	0	0	114.8	D67	D67-D69 VanDerWaalsContact C-N 3.34Å; D67-D69 PolarHBondContact O-N 2.91Å
70	D	52.6	Low	55.9	Low	159 Å²	159	132.5 Å²	132.5	85%	0.85	69%	0.692	S	S	*	*			trans	-122.6	84.9	170	-82.4	-32.1	0	0	0	110.4	D72	D70-D72 PolarHBondContact O-N 3.45Å
71	E	61.2	Low	58.3	Low	155 Å²	155	132.6 Å²	132.6	72%	0.724	69%	0.688	S	S	*	*			trans	-63.6	120.8	172.4	-67.2	179.2	168.2	0	0	110.3	L73	E71-L73 VanDerWaalsContact C-N 3.33Å; E71-L73 HydrophobicContact CB-CD2 4.49Å; E71-L73 HydrophobicContact CB-CG 4.24Å; E71-L73 PolarHBondContact O-N 3.24Å
72	D	70.9	Confident	60.8	Low	96 Å²	96	129 Å²	129	51%	0.513	68%	0.678	S	S	.	*			trans	-75.3	84.5	177.4	-172.3	4.4	0	0	0	110.8	D70 N74 N77	D70-D72 PolarHBondContact O-N 3.45Å; D72-N74 PolarHBondContact O-N 3.1Å; D72-N74 WeakPolarHBondContact OD1-CB 3.45Å; D72-N74 PolarHBondContact OD1-N 3.45Å; D72-N77 PolarHBondContact O-ND2 3.37Å
73	L	78.2	Confident	63.5	Low	97 Å²	97	121.4 Å²	121.4	51%	0.508	65%	0.651	S	S	.	*			trans	-83	16.1	-180	-63.6	172.3	0	0	0	113.5	E71 Y84	E71-L73 VanDerWaalsContact C-N 3.33Å; E71-L73 HydrophobicContact CB-CD2 4.49Å; E71-L73 HydrophobicContact CB-CG 4.24Å; E71-L73 PolarHBondContact O-N 3.24Å; L73-Y84 VanDerWaalsContact C-CE1 3.42Å; L73-Y84 VanDerWaalsContact CA-CE1 3.43Å; L73-Y84 HydrophobicContact CB-CE1 4.28Å; L73-Y84 HydrophobicContact CD2-CD2 4.02Å; L73-Y84 HydrophobicContact CD2-CE1 4.2Å; L73-Y84 HydrophobicContact CD2-CE2 3.62Å; L73-Y84 HydrophobicContact CD2-CG 4.47Å; L73-Y84 WeakPolarHBondContact O-CE1 3.43Å; L73-Y84 PolarHBondContact O-OH 3.34Å
74	N	76.8	Confident	65.8	Low	90 Å²	90	118.6 Å²	118.6	48%	0.481	63%	0.63	S	S	.	*			trans	-68.4	141	179.5	-165.1	6.9	0	0	0	111.3	D72 T76 N77 Y78	D72-N74 PolarHBondContact O-N 3.1Å; D72-N74 WeakPolarHBondContact OD1-CB 3.45Å; D72-N74 PolarHBondContact OD1-N 3.45Å; N74-T76 PolarHBondContact ND2-OG1 2.74Å; N74-T76 PolarHBondContact O-N 3.43Å; N74-N77 WeakPolarHBondContact O-CA 3.41Å; N74-N77 WeakPolarHBondContact O-CB 3.5Å; N74-N77 PolarHBondContact O-N 3.33Å; N74-Y78 PolarHBondContact O-N 2.87Å
75	D	75	Confident	67.8	Low	130 Å²	130	113.2 Å²	113.2	70%	0.695	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	-25.6	-177.1	-69.6	-8.1	0	0	0	112.8	N77 Y78	D75-N77 PolarHBondContact O-N 3.19Å; D75-Y78 PolarHBondContact O-N 2.76Å
76	T	80.5	Confident	70.1	Confident	124 Å²	124	111.9 Å²	111.9	76%	0.761	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-22.2	174.6	54.6	0	0	0	0	113.5	N74	N74-T76 PolarHBondContact ND2-OG1 2.74Å; N74-T76 PolarHBondContact O-N 3.43Å
77	N	82	Confident	72.3	Confident	43 Å²	43	112.3 Å²	112.3	23%	0.23	61%	0.609	C	S	.	*	T	Hydrogen-bonded Turn	trans	-94	-11.8	175.9	-160.1	44.5	0	0	0	111.6	D72 N74 D75 Y84 A85	D72-N77 PolarHBondContact O-ND2 3.37Å; N74-N77 WeakPolarHBondContact O-CA 3.41Å; N74-N77 WeakPolarHBondContact O-CB 3.5Å; N74-N77 PolarHBondContact O-N 3.33Å; D75-N77 PolarHBondContact O-N 3.19Å; N77-Y84 HydrophobicContact CB-CD1 4.44Å; N77-Y84 CarbonylContact O-C 3.53Å; N77-Y84 WeakPolarHBondContact O-CA 3.44Å; N77-A85 PolarHBondContact ND2-O 3.39Å; N77-A85 PolarHBondContact O-N 3.17Å; N77-A85 WeakPolarHBondContact OD1-CB 3.38Å; N77-A85 PolarHBondContact OD1-O 3.27Å
78	Y	83.5	Confident	74.3	Confident	114 Å²	114	111.5 Å²	111.5	45%	0.447	60%	0.604	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88	129	173.8	-170.8	-106.1	0	0	0	110.9	N74 D75 E80 Y84	N74-Y78 PolarHBondContact O-N 2.87Å; D75-Y78 PolarHBondContact O-N 2.76Å; Y78-E80 HydrophobicContact CE1-CG 4.44Å; Y78-Y84 AromaticContact CD2-CD1 3.99Å; Y78-Y84 HydrophobicContact CD2-CD1 3.99Å; Y78-Y84 AromaticContact CD2-CD2 3.66Å; Y78-Y84 HydrophobicContact CD2-CD2 3.66Å; Y78-Y84 AromaticContact CD2-CE1 3.92Å; Y78-Y84 HydrophobicContact CD2-CE1 3.92Å; Y78-Y84 AromaticContact CD2-CE2 3.58Å; Y78-Y84 HydrophobicContact CD2-CE2 3.58Å; Y78-Y84 AromaticContact CD2-CG 3.87Å; Y78-Y84 HydrophobicContact CD2-CG 3.87Å; Y78-Y84 AromaticContact CD2-CZ 3.73Å; Y78-Y84 HydrophobicContact CE2-CD2 4.21Å; Y78-Y84 HydrophobicContact CE2-CE2 4.12Å; Y78-Y84 HydrophobicContact CG-CD1 4.44Å; Y78-Y84 HydrophobicContact CG-CE1 4.18Å; Y78-Y84 HydrophobicContact CG-CE2 4.5Å
79	D	84.9	Confident	75.5	Confident	66 Å²	66	114.1 Å²	114.1	35%	0.353	61%	0.609	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.7	138.8	166.1	176.5	41.7	0	0	0	109.6	F81 N82 G83	D79-F81 VanDerWaalsContact C-N 3.26Å; D79-F81 PolarHBondContact O-N 3.02Å; D79-N82 HydrophobicContact CB-CB 4.43Å; D79-N82 WeakPolarHBondContact OD2-CB 3.44Å; D79-N82 PolarHBondContact OD2-N 2.97Å; D79-N82 PolarHBondContact OD2-ND2 2.96Å; D79-G83 PolarHBondContact N-O 3.36Å; D79-G83 CarbonylContact O-C 3.59Å; D79-G83 WeakPolarHBondContact O-CA 3.41Å; D79-G83 PolarHBondContact O-N 2.81Å
80	E	82.9	Confident	76.6	Confident	176 Å²	176	111.5 Å²	111.5	82%	0.822	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-28.4	-172.3	-64.8	147.8	155.1	0	0	112.3	Y78	Y78-E80 HydrophobicContact CE1-CG 4.44Å
81	F	85.6	Confident	77.3	Confident	189 Å²	189	108.4 Å²	108.4	83%	0.829	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-45.7	178.7	-170.1	-96.3	0	0	0	112.4	D79	D79-F81 VanDerWaalsContact C-N 3.26Å; D79-F81 PolarHBondContact O-N 3.02Å
82	N	83.1	Confident	77.7	Confident	126 Å²	126	103.2 Å²	103.2	67%	0.674	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-6.5	-173.7	-60.7	-61.8	0	0	0	114.5	D79	D79-N82 HydrophobicContact CB-CB 4.43Å; D79-N82 WeakPolarHBondContact OD2-CB 3.44Å; D79-N82 PolarHBondContact OD2-N 2.97Å; D79-N82 PolarHBondContact OD2-ND2 2.96Å
83	G	85.8	Confident	77.7	Confident	21 Å²	21	104 Å²	104	22%	0.216	59%	0.592	C	S	.	*	E	Extended strand (participates in β ladder)	trans	76.3	-154.4	-173	0	0	0	0	0	112.2	D79 A85	D79-G83 PolarHBondContact N-O 3.36Å; D79-G83 CarbonylContact O-C 3.59Å; D79-G83 WeakPolarHBondContact O-CA 3.41Å; D79-G83 PolarHBondContact O-N 2.81Å; G83-A85 PolarHBondContact O-N 3.01Å
84	Y	81.6	Confident	77.5	Confident	96 Å²	96	105.5 Å²	105.5	38%	0.376	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-68.5	131.5	176.2	-75.8	-76	0	0	0	111.5	L73 N77 Y78 G86	L73-Y84 VanDerWaalsContact C-CE1 3.42Å; L73-Y84 VanDerWaalsContact CA-CE1 3.43Å; L73-Y84 HydrophobicContact CB-CE1 4.28Å; L73-Y84 HydrophobicContact CD2-CD2 4.02Å; L73-Y84 HydrophobicContact CD2-CE1 4.2Å; L73-Y84 HydrophobicContact CD2-CE2 3.62Å; L73-Y84 HydrophobicContact CD2-CG 4.47Å; L73-Y84 WeakPolarHBondContact O-CE1 3.43Å; L73-Y84 PolarHBondContact O-OH 3.34Å; N77-Y84 HydrophobicContact CB-CD1 4.44Å; N77-Y84 CarbonylContact O-C 3.53Å; N77-Y84 WeakPolarHBondContact O-CA 3.44Å; Y78-Y84 AromaticContact CD2-CD1 3.99Å; Y78-Y84 HydrophobicContact CD2-CD1 3.99Å; Y78-Y84 AromaticContact CD2-CD2 3.66Å; Y78-Y84 HydrophobicContact CD2-CD2 3.66Å; Y78-Y84 AromaticContact CD2-CE1 3.92Å; Y78-Y84 HydrophobicContact CD2-CE1 3.92Å; Y78-Y84 AromaticContact CD2-CE2 3.58Å; Y78-Y84 HydrophobicContact CD2-CE2 3.58Å; Y78-Y84 AromaticContact CD2-CG 3.87Å; Y78-Y84 HydrophobicContact CD2-CG 3.87Å; Y78-Y84 AromaticContact CD2-CZ 3.73Å; Y78-Y84 HydrophobicContact CE2-CD2 4.21Å; Y78-Y84 HydrophobicContact CE2-CE2 4.12Å; Y78-Y84 HydrophobicContact CG-CD1 4.44Å; Y78-Y84 HydrophobicContact CG-CE1 4.18Å; Y78-Y84 HydrophobicContact CG-CE2 4.5Å; Y84-G86 PolarHBondContact O-N 2.85Å
85	A	75.9	Confident	77.7	Confident	63 Å²	63	106.8 Å²	106.8	52%	0.521	60%	0.595	S	S	.	*	S	Bend	trans	-73.1	122.7	176.7	0	0	0	0	0	110.4	N77 G83	N77-A85 PolarHBondContact ND2-O 3.39Å; N77-A85 PolarHBondContact O-N 3.17Å; N77-A85 WeakPolarHBondContact OD1-CB 3.38Å; N77-A85 PolarHBondContact OD1-O 3.27Å; G83-A85 PolarHBondContact O-N 3.01Å
86	G	77.3	Confident	77.9	Confident	68 Å²	68	108.1 Å²	108.1	70%	0.701	59%	0.594	S	S	*	*	S	Bend	trans	143.6	132.8	-176.7	0	0	0	0	0	110.4	Y84	Y84-G86 PolarHBondContact O-N 2.85Å
87	S	75.6	Confident	78	Confident	96 Å²	96	107.2 Å²	107.2	67%	0.671	59%	0.585	S	S	*	*			trans	-82.8	124.8	-179.6	54.1	0	0	0	0	111.2	F89	S87-F89 VanDerWaalsContact C-N 3.28Å; S87-F89 PolarHBondContact O-N 3.22Å
88	L	75.7	Confident	78.2	Confident	142 Å²	142	108.3 Å²	108.3	74%	0.743	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-24.8	-179.7	-67.1	168.1	0	0	0	113.6
89	F	70.3	Confident	78.1	Confident	190 Å²	190	108.7 Å²	108.7	83%	0.833	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	10.7	-167.3	-60.4	-75.4	0	0	0	114.2	S87 S91	S87-F89 VanDerWaalsContact C-N 3.28Å; S87-F89 PolarHBondContact O-N 3.22Å; F89-S91 VanDerWaalsContact C-N 3.34Å; F89-S91 PolarHBondContact O-N 3.46Å
90	S	70.5	Confident	78.2	Confident	100 Å²	100	111 Å²	111	70%	0.699	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-10.9	-174.1	-170	0	0	0	0	115.2
91	S	65.5	Low	78.3	Confident	95 Å²	95	104.2 Å²	104.2	66%	0.664	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.3	4.2	-170.9	58	0	0	0	0	115.7	F89	F89-S91 VanDerWaalsContact C-N 3.34Å; F89-S91 PolarHBondContact O-N 3.46Å
92	G	70.6	Confident	78.3	Confident	46 Å²	46	99.1 Å²	99.1	47%	0.474	56%	0.561	S	S	.	*	S	Bend	trans	-74.6	168.9	168.5	0	0	0	0	0	112.6	Y94	G92-Y94 PolarHBondContact O-N 2.9Å
93	P	69.7	Low	78.6	Confident	113 Å²	113	96 Å²	96	73%	0.734	55%	0.553	S	S	*	*			trans	-65.2	99.4	173.7	27.9	-31.5	0	0	0	108.9	E95	P93-E95 PolarHBondContact O-N 2.89Å
94	Y	75.8	Confident	78.7	Confident	127 Å²	127	100 Å²	100	50%	0.498	57%	0.568	S	S	.	*			trans	-82	100.9	174	-168.1	-98.7	0	0	0	107.5	G92 D98 E99 D102	G92-Y94 PolarHBondContact O-N 2.9Å; Y94-D98 HydrophobicContact CD2-CB 3.86Å; Y94-D98 HydrophobicContact CE2-CB 3.85Å; Y94-D98 HydrophobicContact CG-CB 4.23Å; Y94-E99 HydrophobicContact CD1-CB 4.43Å; Y94-E99 HydrophobicContact CE1-CB 3.64Å; Y94-E99 HydrophobicContact CE1-CG 4.1Å; Y94-D102 VanDerWaalsContact OH-CB 3.24Å; Y94-D102 WeakPolarHBondContact OH-CB 3.38Å; Y94-D102 PolarHBondContact OH-OD2 2.79Å
95	E	79.9	Confident	79.1	Confident	118 Å²	118	102.5 Å²	102.5	55%	0.551	58%	0.578	S	S	*	*			trans	-89.8	172.8	-174.2	-67.8	-171	-167.8	0	0	111.1	P93 D97 D98 E99	P93-E95 PolarHBondContact O-N 2.89Å; E95-D97 VanDerWaalsContact CB-OD1 3.26Å; E95-D97 WeakPolarHBondContact CB-OD1 3.35Å; E95-D97 PolarHBondContact O-N 3.33Å; E95-D98 PolarHBondContact N-OD2 3.02Å; E95-D98 WeakPolarHBondContact O-CB 3.49Å; E95-D98 PolarHBondContact O-N 3.47Å; E95-D98 VanDerWaalsContact O-N 3.09Å; E95-E99 PolarHBondContact O-N 3.09Å; E95-E99 VanDerWaalsContact O-N 3.09Å
96	K	80.2	Confident	79.8	Confident	157 Å²	157	102.2 Å²	102.2	68%	0.683	58%	0.575	S	S	*	*	H	α-helix	trans	-66.7	-31.5	-170.9	-172	172.6	178.6	174.4	0	112.2	E99 E100	K96-E99 PolarHBondContact O-N 3Å; K96-E100 WeakPolarHBondContact O-CG 3.24Å; K96-E100 PolarHBondContact O-N 2.94Å
97	D	82	Confident	80.3	Confident	105 Å²	105	101.6 Å²	101.6	56%	0.561	56%	0.564	S	S	*	*	H	α-helix	trans	-70.2	-32.4	173	54.5	-24.1	0	0	0	112.5	E95 E100 A101	E95-D97 VanDerWaalsContact CB-OD1 3.26Å; E95-D97 WeakPolarHBondContact CB-OD1 3.35Å; E95-D97 PolarHBondContact O-N 3.33Å; D97-E100 PolarHBondContact O-N 2.91Å; D97-A101 VanDerWaalsContact O-CB 3.26Å; D97-A101 WeakPolarHBondContact O-CB 3.45Å; D97-A101 PolarHBondContact O-N 3.19Å
98	D	85.4	Confident	80.9	Confident	66 Å²	66	101.4 Å²	101.4	35%	0.353	56%	0.555	S	S	.	*	H	α-helix	trans	-64.7	-43.9	170	-60.4	-52.3	0	0	0	111.3	Y94 E95 E100 A101 D102	Y94-D98 HydrophobicContact CD2-CB 3.86Å; Y94-D98 HydrophobicContact CE2-CB 3.85Å; Y94-D98 HydrophobicContact CG-CB 4.23Å; E95-D98 PolarHBondContact N-OD2 3.02Å; E95-D98 WeakPolarHBondContact O-CB 3.49Å; E95-D98 PolarHBondContact O-N 3.47Å; E95-D98 VanDerWaalsContact O-N 3.09Å; D98-E100 VanDerWaalsContact C-N 3.34Å; D98-E100 PolarHBondContact O-N 3.31Å; D98-A101 PolarHBondContact O-N 2.84Å; D98-D102 WeakPolarHBondContact O-CB 3.43Å; D98-D102 PolarHBondContact O-N 3.41Å
99	E	82.4	Confident	81.6	Confident	122 Å²	122	99.7 Å²	99.7	57%	0.57	55%	0.547	S	S	*	.	H	α-helix	trans	-62.2	-41.3	176.3	-167.3	178.9	178.2	0	0	112.1	Y94 E95 K96 A103	Y94-E99 HydrophobicContact CD1-CB 4.43Å; Y94-E99 HydrophobicContact CE1-CB 3.64Å; Y94-E99 HydrophobicContact CE1-CG 4.1Å; E95-E99 PolarHBondContact O-N 3.09Å; E95-E99 VanDerWaalsContact O-N 3.09Å; K96-E99 PolarHBondContact O-N 3Å; E99-A103 VanDerWaalsContact O-CB 3.23Å; E99-A103 WeakPolarHBondContact O-CB 3.43Å; E99-A103 PolarHBondContact O-N 3.47Å
100	E	85.8	Confident	82.4	Confident	114 Å²	114	96.5 Å²	96.5	53%	0.533	53%	0.532	S	S	.	.	H	α-helix	trans	-66.9	-39.9	175.5	-73.5	178.3	-172.2	0	0	111.3	K96 D97 D98 A103 I104	K96-E100 WeakPolarHBondContact O-CG 3.24Å; K96-E100 PolarHBondContact O-N 2.94Å; D97-E100 PolarHBondContact O-N 2.91Å; D98-E100 VanDerWaalsContact C-N 3.34Å; D98-E100 PolarHBondContact O-N 3.31Å; E100-A103 PolarHBondContact O-N 3.41Å; E100-I104 WeakPolarHBondContact O-CD1 3.46Å; E100-I104 WeakPolarHBondContact O-CG1 3.44Å; E100-I104 PolarHBondContact O-N 3.14Å
101	A	85.8	Confident	83.1	Confident	34 Å²	34	101 Å²	101	28%	0.281	53%	0.534	S	S	.	.	H	α-helix	trans	-63.6	-48.7	175.9	0	0	0	0	0	111.8	D97 D98 A103 I104 Y105	D97-A101 VanDerWaalsContact O-CB 3.26Å; D97-A101 WeakPolarHBondContact O-CB 3.45Å; D97-A101 PolarHBondContact O-N 3.19Å; D98-A101 PolarHBondContact O-N 2.84Å; A101-A103 VanDerWaalsContact C-N 3.34Å; A101-A103 PolarHBondContact O-N 3.27Å; A101-I104 CarbonylContact O-C 3.49Å; A101-I104 WeakPolarHBondContact O-CA 3.38Å; A101-I104 WeakPolarHBondContact O-CB 3.46Å; A101-I104 PolarHBondContact O-N 3.39Å; A101-I104 VanDerWaalsContact O-N 3.11Å; A101-Y105 HydrophobicContact CB-CD2 4.48Å; A101-Y105 HydrophobicContact CB-CE2 4.42Å; A101-Y105 WeakPolarHBondContact O-CD2 3.4Å; A101-Y105 PolarHBondContact O-N 2.99Å
102	D	86.8	Confident	83.9	Confident	83 Å²	83	101 Å²	101	44%	0.444	53%	0.525	S	S	.	.	H	α-helix	trans	-66.5	-35.2	178	-87.4	7.8	0	0	0	111.8	Y94 D98 I104 Y105 A106	Y94-D102 VanDerWaalsContact OH-CB 3.24Å; Y94-D102 WeakPolarHBondContact OH-CB 3.38Å; Y94-D102 PolarHBondContact OH-OD2 2.79Å; D98-D102 WeakPolarHBondContact O-CB 3.43Å; D98-D102 PolarHBondContact O-N 3.41Å; D102-I104 VanDerWaalsContact C-N 3.3Å; D102-I104 PolarHBondContact O-N 3.36Å; D102-Y105 PolarHBondContact O-N 2.98Å; D102-A106 WeakPolarHBondContact O-CB 3.21Å; D102-A106 PolarHBondContact O-N 2.81Å
103	A	88.2	Confident	84.6	Confident	60 Å²	60	102.4 Å²	102.4	50%	0.496	52%	0.521	S	S	.	.	H	α-helix	trans	-62.4	-39.2	171.5	0	0	0	0	0	111.6	E99 E100 A101 A107	E99-A103 VanDerWaalsContact O-CB 3.23Å; E99-A103 WeakPolarHBondContact O-CB 3.43Å; E99-A103 PolarHBondContact O-N 3.47Å; E100-A103 PolarHBondContact O-N 3.41Å; A101-A103 VanDerWaalsContact C-N 3.34Å; A101-A103 PolarHBondContact O-N 3.27Å; A103-A107 WeakPolarHBondContact O-CB 3.37Å; A103-A107 PolarHBondContact O-N 2.85Å
104	I	89	Confident	85.3	Confident	106 Å²	106	101.3 Å²	101.3	54%	0.544	51%	0.506	S	S	.	.	H	α-helix	trans	-67.2	-48	175	-69.5	164.6	0	0	0	110.6	E100 A101 D102 A107 L108	E100-I104 WeakPolarHBondContact O-CD1 3.46Å; E100-I104 WeakPolarHBondContact O-CG1 3.44Å; E100-I104 PolarHBondContact O-N 3.14Å; A101-I104 CarbonylContact O-C 3.49Å; A101-I104 WeakPolarHBondContact O-CA 3.38Å; A101-I104 WeakPolarHBondContact O-CB 3.46Å; A101-I104 PolarHBondContact O-N 3.39Å; A101-I104 VanDerWaalsContact O-N 3.11Å; D102-I104 VanDerWaalsContact C-N 3.3Å; D102-I104 PolarHBondContact O-N 3.36Å; I104-A107 PolarHBondContact O-N 3.26Å; I104-L108 HydrophobicContact CG2-CD1 4.4Å; I104-L108 PolarHBondContact O-N 3.16Å
105	Y	89.3	Confident	85.5	Confident	147 Å²	147	104.1 Å²	104.1	58%	0.576	52%	0.516	S	S	*	.	H	α-helix	trans	-65.5	-43.4	179.7	-74.6	-61.9	0	0	0	111.9	A101 D102 A107 L108 D109	A101-Y105 HydrophobicContact CB-CD2 4.48Å; A101-Y105 HydrophobicContact CB-CE2 4.42Å; A101-Y105 WeakPolarHBondContact O-CD2 3.4Å; A101-Y105 PolarHBondContact O-N 2.99Å; D102-Y105 PolarHBondContact O-N 2.98Å; Y105-A107 VanDerWaalsContact C-N 3.33Å; Y105-A107 PolarHBondContact O-N 3.31Å; Y105-L108 CarbonylContact O-C 3.52Å; Y105-L108 WeakPolarHBondContact O-CA 3.32Å; Y105-L108 VanDerWaalsContact O-CB 3.24Å; Y105-L108 WeakPolarHBondContact O-CB 3.33Å; Y105-L108 PolarHBondContact O-N 3.18Å; Y105-D109 PolarHBondContact O-N 3.43Å
106	A	89.6	Confident	85.5	Confident	57 Å²	57	106.7 Å²	106.7	47%	0.471	52%	0.52	S	S	.	.	H	α-helix	trans	-64.7	-36.2	174.5	0	0	0	0	0	112.1	D102 L108 D109 K110	D102-A106 WeakPolarHBondContact O-CB 3.21Å; D102-A106 PolarHBondContact O-N 2.81Å; A106-L108 VanDerWaalsContact C-N 3.31Å; A106-D109 PolarHBondContact O-N 3.42Å; A106-K110 WeakPolarHBondContact O-CB 3.44Å; A106-K110 PolarHBondContact O-N 3.48Å
107	A	89	Confident	85.7	Confident	56 Å²	56	101.1 Å²	101.1	46%	0.463	50%	0.496	S	S	.	.	H	α-helix	trans	-65.8	-36.8	171.6	0	0	0	0	0	111.4	A103 I104 Y105 R111	A103-A107 WeakPolarHBondContact O-CB 3.37Å; A103-A107 PolarHBondContact O-N 2.85Å; I104-A107 PolarHBondContact O-N 3.26Å; Y105-A107 VanDerWaalsContact C-N 3.33Å; Y105-A107 PolarHBondContact O-N 3.31Å; A107-R111 WeakPolarHBondContact O-CB 3.22Å; A107-R111 PolarHBondContact O-N 2.98Å
108	L	88.4	Confident	85.7	Confident	92 Å²	92	104 Å²	104	48%	0.482	51%	0.506	S	S	.	.	H	α-helix	trans	-63.3	-51.1	172.2	-112.2	72.2	0	0	0	111.1	I104 Y105 A106 K110 R111 M112	I104-L108 HydrophobicContact CG2-CD1 4.4Å; I104-L108 PolarHBondContact O-N 3.16Å; Y105-L108 CarbonylContact O-C 3.52Å; Y105-L108 WeakPolarHBondContact O-CA 3.32Å; Y105-L108 VanDerWaalsContact O-CB 3.24Å; Y105-L108 WeakPolarHBondContact O-CB 3.33Å; Y105-L108 PolarHBondContact O-N 3.18Å; A106-L108 VanDerWaalsContact C-N 3.31Å; L108-K110 PolarHBondContact O-N 3.39Å; L108-R111 CarbonylContact O-C 3.59Å; L108-R111 WeakPolarHBondContact O-CA 3.41Å; L108-R111 WeakPolarHBondContact O-CB 3.16Å; L108-R111 PolarHBondContact O-N 3.44Å; L108-R111 VanDerWaalsContact O-N 3.1Å; L108-M112 VanDerWaalsContact O-CG 3.27Å; L108-M112 WeakPolarHBondContact O-CG 3.33Å; L108-M112 PolarHBondContact O-N 3.21Å
109	D	88.6	Confident	85.7	Confident	106 Å²	106	108.8 Å²	108.8	57%	0.567	52%	0.519	S	S	*	.	H	α-helix	trans	-63.2	-44.5	-179.6	-74.9	-11	0	0	0	111.3	Y105 A106 R111 M112 D113	Y105-D109 PolarHBondContact O-N 3.43Å; A106-D109 PolarHBondContact O-N 3.42Å; D109-R111 VanDerWaalsContact C-N 3.29Å; D109-R111 PolarHBondContact O-N 2.93Å; D109-M112 CarbonylContact O-C 3.54Å; D109-M112 WeakPolarHBondContact O-CA 3.37Å; D109-M112 WeakPolarHBondContact O-CB 3.42Å; D109-M112 PolarHBondContact O-N 3.29Å; D109-M112 VanDerWaalsContact O-N 3.07Å; D109-D113 PolarHBondContact O-N 3.46Å
110	K	87.4	Confident	85.9	Confident	122 Å²	122	108.1 Å²	108.1	53%	0.53	51%	0.512	S	S	.	.	H	α-helix	trans	-57.9	-44.3	172.4	-173.9	178.9	178.5	-179.3	0	110.7	A106 L108 M112 D113 E114	A106-K110 WeakPolarHBondContact O-CB 3.44Å; A106-K110 PolarHBondContact O-N 3.48Å; L108-K110 PolarHBondContact O-N 3.39Å; K110-M112 VanDerWaalsContact C-N 3.33Å; K110-M112 PolarHBondContact O-N 3.09Å; K110-D113 CarbonylContact O-C 3.54Å; K110-D113 WeakPolarHBondContact O-CB 3.38Å; K110-D113 PolarHBondContact O-N 3.11Å; K110-E114 WeakPolarHBondContact O-CG 3.49Å; K110-E114 PolarHBondContact O-N 2.85Å
111	R	85.9	Confident	85.9	Confident	195 Å²	195	107.5 Å²	107.5	74%	0.736	51%	0.509	S	S	*	.	H	α-helix	trans	-64.6	-36	175.9	180	-178.9	-179.8	117.2	1.4	112.2	A107 L108 D109 D113 E114	A107-R111 WeakPolarHBondContact O-CB 3.22Å; A107-R111 PolarHBondContact O-N 2.98Å; L108-R111 CarbonylContact O-C 3.59Å; L108-R111 WeakPolarHBondContact O-CA 3.41Å; L108-R111 WeakPolarHBondContact O-CB 3.16Å; L108-R111 PolarHBondContact O-N 3.44Å; L108-R111 VanDerWaalsContact O-N 3.1Å; D109-R111 VanDerWaalsContact C-N 3.29Å; D109-R111 PolarHBondContact O-N 2.93Å; R111-D113 VanDerWaalsContact C-N 3.29Å; R111-E114 PolarHBondContact O-N 3.15Å
112	M	82.9	Confident	86	Confident	95 Å²	95	111.5 Å²	111.5	47%	0.468	52%	0.522	S	S	.	.	H	α-helix	trans	-64.6	-38.8	173.8	-69.7	-58	-70.8	0	0	110.5	L108 D109 K110 R115	L108-M112 VanDerWaalsContact O-CG 3.27Å; L108-M112 WeakPolarHBondContact O-CG 3.33Å; L108-M112 PolarHBondContact O-N 3.21Å; D109-M112 CarbonylContact O-C 3.54Å; D109-M112 WeakPolarHBondContact O-CA 3.37Å; D109-M112 WeakPolarHBondContact O-CB 3.42Å; D109-M112 PolarHBondContact O-N 3.29Å; D109-M112 VanDerWaalsContact O-N 3.07Å; K110-M112 VanDerWaalsContact C-N 3.33Å; K110-M112 PolarHBondContact O-N 3.09Å; M112-R115 WeakPolarHBondContact O-CG 3.43Å; M112-R115 PolarHBondContact SD-NH2 2.93Å; M112-R115 VanDerWaalsContact SD-NH2 3.36Å
113	D	84.3	Confident	86.1	Confident	75 Å²	75	116.3 Å²	116.3	40%	0.401	53%	0.534	S	S	.	.	H	α-helix	trans	-72.4	-33.2	176.5	-89.7	-26	0	0	0	114.6	D109 K110 R111 R115 R116 K117 R120	D109-D113 PolarHBondContact O-N 3.46Å; K110-D113 CarbonylContact O-C 3.54Å; K110-D113 WeakPolarHBondContact O-CB 3.38Å; K110-D113 PolarHBondContact O-N 3.11Å; R111-D113 VanDerWaalsContact C-N 3.29Å; D113-R115 PolarHBondContact O-N 2.82Å; D113-R116 PolarHBondContact O-N 3.22Å; D113-K117 WeakPolarHBondContact O-CB 3.19Å; D113-K117 PolarHBondContact O-N 3.29Å; D113-K117 VanDerWaalsContact O-N 3.12Å; D113-R120 VanDerWaalsContact CG-NH1 3.32Å; D113-R120 PolarHBondContact O-NH2 3.06Å; D113-R120 IonicContact OD1-CZ 2.81Å; D113-R120 VanDerWaalsContact OD1-CZ 3.26Å; D113-R120 IonicContact OD1-NH1 3.73Å; D113-R120 PolarHBondContact OD1-NH1 3.48Å; D113-R120 IonicContact OD1-NH2 3.26Å; D113-R120 PolarHBondContact OD1-NH2 2.88Å; D113-R120 IonicContact OD2-NH1 3.54Å
114	E	85.1	Confident	86.1	Confident	90 Å²	90	118.6 Å²	118.6	42%	0.421	53%	0.534	S	S	.	.	H	α-helix	trans	-53.5	-26.2	177.2	-76.4	-59.9	153.2	0	0	112.5	K110 R111 R116 K117	K110-E114 WeakPolarHBondContact O-CG 3.49Å; K110-E114 PolarHBondContact O-N 2.85Å; R111-E114 PolarHBondContact O-N 3.15Å; E114-R116 PolarHBondContact O-N 3.37Å; E114-K117 HydrophobicContact CG-CD 4.48Å; E114-K117 PolarHBondContact O-N 3.29Å; E114-K117 WeakPolarHBondContact OE1-CD 3.36Å; E114-K117 IonicContact OE1-NZ 3.66Å; E114-K117 PolarHBondContact OE1-NZ 3.5Å
115	R	79.3	Confident	86.1	Confident	187 Å²	187	121.3 Å²	121.3	71%	0.706	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-30.5	179	-65.4	179.4	-177.7	-174.2	1.1	114.1	M112 D113	M112-R115 WeakPolarHBondContact O-CG 3.43Å; M112-R115 PolarHBondContact SD-NH2 2.93Å; M112-R115 VanDerWaalsContact SD-NH2 3.36Å; D113-R115 PolarHBondContact O-N 2.82Å
116	R	79.6	Confident	86.2	Confident	171 Å²	171	118.3 Å²	118.3	65%	0.645	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.3	11.3	177.7	-78.1	-169.4	179.1	-153	2	113.5	D113 E114 E118 R119 R120	D113-R116 PolarHBondContact O-N 3.22Å; E114-R116 PolarHBondContact O-N 3.37Å; R116-E118 PolarHBondContact O-N 3.45Å; R116-R119 PolarHBondContact O-N 3.1Å; R116-R120 WeakPolarHBondContact O-CB 3.43Å; R116-R120 PolarHBondContact O-N 3.45Å
117	K	84.3	Confident	86.1	Confident	41 Å²	41	121.7 Å²	121.7	18%	0.178	54%	0.539	C	S	.	.	H	α-helix	trans	-56.6	-52.3	-169.7	-173.5	176.5	176.6	-179	0	113.2	D113 E114 R119 R120 E121	D113-K117 WeakPolarHBondContact O-CB 3.19Å; D113-K117 PolarHBondContact O-N 3.29Å; D113-K117 VanDerWaalsContact O-N 3.12Å; E114-K117 HydrophobicContact CG-CD 4.48Å; E114-K117 PolarHBondContact O-N 3.29Å; E114-K117 WeakPolarHBondContact OE1-CD 3.36Å; E114-K117 IonicContact OE1-NZ 3.66Å; E114-K117 PolarHBondContact OE1-NZ 3.5Å; K117-R119 VanDerWaalsContact C-N 3.33Å; K117-R119 PolarHBondContact O-N 3.37Å; K117-R120 PolarHBondContact O-N 3.44Å; K117-R120 VanDerWaalsContact O-N 3.12Å; K117-E121 WeakPolarHBondContact CE-OE1 3.21Å; K117-E121 VanDerWaalsContact CG-CD 3.44Å; K117-E121 HydrophobicContact CG-CG 4.05Å; K117-E121 WeakPolarHBondContact CG-OE1 3.22Å; K117-E121 WeakPolarHBondContact O-CB 3.31Å; K117-E121 WeakPolarHBondContact O-CG 3.09Å; K117-E121 PolarHBondContact O-N 2.82Å
118	E	82.8	Confident	86	Confident	164 Å²	164	122.4 Å²	122.4	77%	0.766	54%	0.535	S	S	*	.	H	α-helix	trans	-54.9	-46.9	-179.9	-68.1	-176.8	162.8	0	0	112.3	R116 Q122	R116-E118 PolarHBondContact O-N 3.45Å; E118-Q122 WeakPolarHBondContact O-CB 3.38Å; E118-Q122 PolarHBondContact O-N 3.47Å
119	R	85.3	Confident	86	Confident	167 Å²	167	124.1 Å²	124.1	63%	0.63	54%	0.54	S	S	*	.	H	α-helix	trans	-70.6	-36.4	178.9	-76.3	-172.2	-72.2	174.3	-6.4	113.2	R116 K117 R123	R116-R119 PolarHBondContact O-N 3.1Å; K117-R119 VanDerWaalsContact C-N 3.33Å; K117-R119 PolarHBondContact O-N 3.37Å; R119-R123 VanDerWaalsContact O-CB 3.25Å; R119-R123 WeakPolarHBondContact O-CB 3.46Å; R119-R123 PolarHBondContact O-N 3.18Å; R119-R123 VanDerWaalsContact O-N 3.08Å
120	R	86.1	Confident	86	Confident	109 Å²	109	126 Å²	126	41%	0.411	54%	0.543	S	S	.	.	H	α-helix	trans	-68.8	-52.1	-179.7	-170.7	-158.3	-39.2	179	1.8	110.3	D113 R116 K117 R123 E124	D113-R120 VanDerWaalsContact CG-NH1 3.32Å; D113-R120 PolarHBondContact O-NH2 3.06Å; D113-R120 IonicContact OD1-CZ 2.81Å; D113-R120 VanDerWaalsContact OD1-CZ 3.26Å; D113-R120 IonicContact OD1-NH1 3.73Å; D113-R120 PolarHBondContact OD1-NH1 3.48Å; D113-R120 IonicContact OD1-NH2 3.26Å; D113-R120 PolarHBondContact OD1-NH2 2.88Å; D113-R120 IonicContact OD2-NH1 3.54Å; R116-R120 WeakPolarHBondContact O-CB 3.43Å; R116-R120 PolarHBondContact O-N 3.45Å; K117-R120 PolarHBondContact O-N 3.44Å; K117-R120 VanDerWaalsContact O-N 3.12Å; R120-R123 PolarHBondContact O-N 3.02Å; R120-E124 WeakPolarHBondContact O-CB 3.38Å; R120-E124 PolarHBondContact O-N 3.43Å
121	E	86.9	Confident	85.9	Confident	100 Å²	100	126.8 Å²	126.8	47%	0.467	54%	0.544	S	S	.	.	H	α-helix	trans	-65.1	-40.3	179.7	-68.9	179.7	174.3	0	0	111.4	K117 E124 K125	K117-E121 WeakPolarHBondContact CE-OE1 3.21Å; K117-E121 VanDerWaalsContact CG-CD 3.44Å; K117-E121 HydrophobicContact CG-CG 4.05Å; K117-E121 WeakPolarHBondContact CG-OE1 3.22Å; K117-E121 WeakPolarHBondContact O-CB 3.31Å; K117-E121 WeakPolarHBondContact O-CG 3.09Å; K117-E121 PolarHBondContact O-N 2.82Å; E121-E124 PolarHBondContact O-N 2.97Å; E121-K125 VanDerWaalsContact O-CB 3.22Å; E121-K125 WeakPolarHBondContact O-CB 3.37Å; E121-K125 PolarHBondContact O-N 3.36Å
122	Q	87.4	Confident	85.9	Confident	119 Å²	119	124.2 Å²	124.2	56%	0.556	53%	0.534	S	S	*	.	H	α-helix	trans	-62.4	-45	175.2	-174.7	174.1	6.7	0	0	111.4	E118 K125 E126	E118-Q122 WeakPolarHBondContact O-CB 3.38Å; E118-Q122 PolarHBondContact O-N 3.47Å; Q122-K125 PolarHBondContact O-N 2.88Å; Q122-E126 WeakPolarHBondContact O-CG 3.43Å; Q122-E126 PolarHBondContact O-N 3.22Å
123	R	88.8	Confident	85.8	Confident	183 Å²	183	127.2 Å²	127.2	69%	0.691	55%	0.549	S	S	*	.	H	α-helix	trans	-66.7	-42.9	178.4	-172.8	172.5	-180	166.3	0.9	112.1	R119 R120 K125 E126 E127	R119-R123 VanDerWaalsContact O-CB 3.25Å; R119-R123 WeakPolarHBondContact O-CB 3.46Å; R119-R123 PolarHBondContact O-N 3.18Å; R119-R123 VanDerWaalsContact O-N 3.08Å; R120-R123 PolarHBondContact O-N 3.02Å; R123-K125 VanDerWaalsContact C-N 3.3Å; R123-K125 PolarHBondContact O-N 3.41Å; R123-E126 PolarHBondContact O-N 3.38Å; R123-E127 WeakPolarHBondContact O-CB 3.47Å; R123-E127 PolarHBondContact O-N 3.07Å
124	E	88.1	Confident	85.7	Confident	108 Å²	108	130.4 Å²	130.4	51%	0.505	56%	0.561	S	S	.	*	H	α-helix	trans	-60.9	-41.6	175.8	-177.4	175.3	-173.9	0	0	111	R120 E121 E127 I128	R120-E124 WeakPolarHBondContact O-CB 3.38Å; R120-E124 PolarHBondContact O-N 3.43Å; E121-E124 PolarHBondContact O-N 2.97Å; E124-E127 PolarHBondContact O-N 3.06Å; E124-I128 HydrophobicContact CG-CD1 3.78Å; E124-I128 HydrophobicContact CG-CG1 4.5Å; E124-I128 WeakPolarHBondContact O-CB 3.4Å; E124-I128 WeakPolarHBondContact O-CD1 3.29Å; E124-I128 WeakPolarHBondContact O-CG1 3.29Å; E124-I128 PolarHBondContact O-N 3.46Å
125	K	89.7	Confident	85.6	Confident	163 Å²	163	134.1 Å²	134.1	71%	0.709	57%	0.571	S	S	*	*	H	α-helix	trans	-64.3	-46.2	175.9	-170.1	177.2	-178.9	-179.5	0	112.3	E121 Q122 R123 E127 E129	E121-K125 VanDerWaalsContact O-CB 3.22Å; E121-K125 WeakPolarHBondContact O-CB 3.37Å; E121-K125 PolarHBondContact O-N 3.36Å; Q122-K125 PolarHBondContact O-N 2.88Å; R123-K125 VanDerWaalsContact C-N 3.3Å; R123-K125 PolarHBondContact O-N 3.41Å; K125-E127 VanDerWaalsContact C-N 3.33Å; K125-E129 WeakPolarHBondContact O-CB 3.49Å; K125-E129 PolarHBondContact O-N 3.21Å
126	E	90.2	Very high	85.9	Confident	85 Å²	85	127 Å²	127	40%	0.397	55%	0.55	S	S	.	.	H	α-helix	trans	-64.4	-37	176	-75.6	-178	-164.6	0	0	112.3	Q122 R123 E129 K130	Q122-E126 WeakPolarHBondContact O-CG 3.43Å; Q122-E126 PolarHBondContact O-N 3.22Å; R123-E126 PolarHBondContact O-N 3.38Å; E126-E129 PolarHBondContact O-N 3.23Å; E126-K130 WeakPolarHBondContact O-CB 3.28Å; E126-K130 WeakPolarHBondContact O-CG 3.34Å; E126-K130 PolarHBondContact O-N 3.44Å
127	E	89.1	Confident	86.1	Confident	127 Å²	127	125.4 Å²	125.4	59%	0.593	55%	0.548	S	S	*	.	H	α-helix	trans	-70.6	-43.9	179.2	-172	163.7	-167.2	0	0	111.2	R123 E124 K125 E129 K130 Y131	R123-E127 WeakPolarHBondContact O-CB 3.47Å; R123-E127 PolarHBondContact O-N 3.07Å; E124-E127 PolarHBondContact O-N 3.06Å; K125-E127 VanDerWaalsContact C-N 3.33Å; E127-E129 VanDerWaalsContact C-N 3.29Å; E127-E129 PolarHBondContact O-N 2.91Å; E127-K130 PolarHBondContact O-N 3.42Å; E127-Y131 WeakPolarHBondContact O-CB 3.44Å; E127-Y131 PolarHBondContact O-N 3.07Å
128	I	86.8	Confident	86	Confident	72 Å²	72	129.5 Å²	129.5	37%	0.369	57%	0.57	S	S	.	*	H	α-helix	trans	-63.3	-37.5	173.7	-66.1	165.1	0	0	0	110.8	E124 R132	E124-I128 HydrophobicContact CG-CD1 3.78Å; E124-I128 HydrophobicContact CG-CG1 4.5Å; E124-I128 WeakPolarHBondContact O-CB 3.4Å; E124-I128 WeakPolarHBondContact O-CD1 3.29Å; E124-I128 WeakPolarHBondContact O-CG1 3.29Å; E124-I128 PolarHBondContact O-N 3.46Å; I128-R132 WeakPolarHBondContact O-CB 3.4Å; I128-R132 VanDerWaalsContact O-CG 3.22Å; I128-R132 WeakPolarHBondContact O-CG 3.35Å; I128-R132 PolarHBondContact O-N 3.5Å
129	E	87.5	Confident	85.8	Confident	128 Å²	128	128.7 Å²	128.7	60%	0.598	57%	0.566	S	S	*	*	H	α-helix	trans	-65.9	-52.2	176.2	-170.1	-167.2	-176.2	0	0	111.6	K125 E126 E127 Y131 R132 M133	K125-E129 WeakPolarHBondContact O-CB 3.49Å; K125-E129 PolarHBondContact O-N 3.21Å; E126-E129 PolarHBondContact O-N 3.23Å; E127-E129 VanDerWaalsContact C-N 3.29Å; E127-E129 PolarHBondContact O-N 2.91Å; E129-Y131 VanDerWaalsContact C-N 3.32Å; E129-Y131 PolarHBondContact O-N 3.24Å; E129-R132 PolarHBondContact O-N 3.14Å; E129-M133 WeakPolarHBondContact O-CG 3.42Å; E129-M133 PolarHBondContact O-N 3.38Å
130	K	88.9	Confident	85.8	Confident	144 Å²	144	124 Å²	124	63%	0.626	55%	0.551	S	S	*	*	H	α-helix	trans	-59.8	-42.5	176.5	-77.9	175.9	-177.6	166	0	111.7	E126 E127 R132 M133 E134	E126-K130 WeakPolarHBondContact O-CB 3.28Å; E126-K130 WeakPolarHBondContact O-CG 3.34Å; E126-K130 PolarHBondContact O-N 3.44Å; E127-K130 PolarHBondContact O-N 3.42Å; K130-R132 VanDerWaalsContact C-N 3.33Å; K130-R132 PolarHBondContact O-N 3.26Å; K130-M133 PolarHBondContact O-N 2.85Å; K130-M133 VanDerWaalsContact O-N 3.14Å; K130-E134 PolarHBondContact O-N 2.86Å
131	Y	85.4	Confident	85.5	Confident	139 Å²	139	123.6 Å²	123.6	55%	0.545	55%	0.554	S	S	.	*	H	α-helix	trans	-62.4	-40.2	177.3	-177.3	-105.9	0	0	0	111.7	E127 E129 M133 E134 R135	E127-Y131 WeakPolarHBondContact O-CB 3.44Å; E127-Y131 PolarHBondContact O-N 3.07Å; E129-Y131 VanDerWaalsContact C-N 3.32Å; E129-Y131 PolarHBondContact O-N 3.24Å; Y131-M133 VanDerWaalsContact C-N 3.34Å; Y131-E134 PolarHBondContact O-N 2.79Å; Y131-R135 HydrophobicContact CE2-CB 4.48Å; Y131-R135 CarbonylContact O-C 3.59Å; Y131-R135 WeakPolarHBondContact O-CA 3.49Å; Y131-R135 PolarHBondContact O-N 3.24Å
132	R	84.5	Confident	85.4	Confident	141 Å²	141	124.2 Å²	124.2	53%	0.532	56%	0.555	S	S	.	*	H	α-helix	trans	-69.7	-28.4	174.5	-74.8	176.7	-175.1	-169.2	5.3	113.1	I128 E129 K130 P136	I128-R132 WeakPolarHBondContact O-CB 3.4Å; I128-R132 VanDerWaalsContact O-CG 3.22Å; I128-R132 WeakPolarHBondContact O-CG 3.35Å; I128-R132 PolarHBondContact O-N 3.5Å; E129-R132 PolarHBondContact O-N 3.14Å; K130-R132 VanDerWaalsContact C-N 3.33Å; K130-R132 PolarHBondContact O-N 3.26Å; R132-P136 WeakPolarHBondContact O-CA 3.45Å; R132-P136 VanDerWaalsContact O-CB 3.32Å; R132-P136 WeakPolarHBondContact O-CB 3.39Å; R132-P136 VanDerWaalsContact O-CD 3.23Å; R132-P136 WeakPolarHBondContact O-CD 3Å
133	M	81.4	Confident	85.4	Confident	158 Å²	158	121.1 Å²	121.1	78%	0.778	55%	0.547	S	S	*	.	H	α-helix	trans	-74.1	-39.1	173.8	-74.4	-70	-78	0	0	112.3	E129 K130 Y131	E129-M133 WeakPolarHBondContact O-CG 3.42Å; E129-M133 PolarHBondContact O-N 3.38Å; K130-M133 PolarHBondContact O-N 2.85Å; K130-M133 VanDerWaalsContact O-N 3.14Å; Y131-M133 VanDerWaalsContact C-N 3.34Å
134	E	81.9	Confident	85.3	Confident	142 Å²	142	117 Å²	117	66%	0.664	54%	0.539	S	S	*	.	H	α-helix	trans	-77.9	-45.6	179	-166	-156.1	144.9	0	0	112	K130 Y131	K130-E134 PolarHBondContact O-N 2.86Å; Y131-E134 PolarHBondContact O-N 2.79Å
135	R	83.8	Confident	85.2	Confident	168 Å²	168	116.4 Å²	116.4	63%	0.634	54%	0.539	S	S	*	.	S	Bend	trans	-134.8	72.1	-176.5	-65.8	-169.2	177.2	-154.1	-3.2	111.2	Y131	Y131-R135 HydrophobicContact CE2-CB 4.48Å; Y131-R135 CarbonylContact O-C 3.59Å; Y131-R135 WeakPolarHBondContact O-CA 3.49Å; Y131-R135 PolarHBondContact O-N 3.24Å
136	P	84.5	Confident	85	Confident	39 Å²	39	116.3 Å²	116.3	25%	0.253	54%	0.538	S	S	.	.			trans	-59.1	145.1	172.8	19.3	-26.9	0	0	0	110.6	R132 Q140 Q141	R132-P136 WeakPolarHBondContact O-CA 3.45Å; R132-P136 VanDerWaalsContact O-CB 3.32Å; R132-P136 WeakPolarHBondContact O-CB 3.39Å; R132-P136 VanDerWaalsContact O-CD 3.23Å; R132-P136 WeakPolarHBondContact O-CD 3Å; P136-Q140 HydrophobicContact CB-CB 4.09Å; P136-Q141 HydrophobicContact CB-CG 4.02Å; P136-Q141 HydrophobicContact CG-CG 3.66Å; P136-Q141 PolarHBondContact O-NE2 3.34Å
137	K	85.1	Confident	84.9	Confident	137 Å²	137	121.6 Å²	121.6	60%	0.596	55%	0.554	S	S	*	*			trans	-60.1	151.3	173.7	-67	-172.2	177	-174.2	0	109.2	Q139 Q140 Q141	K137-Q139 VanDerWaalsContact C-N 3.27Å; K137-Q139 HydrophobicContact CB-CG 4.36Å; K137-Q139 PolarHBondContact O-N 3.42Å; K137-Q139 VanDerWaalsContact O-N 3.14Å; K137-Q140 HydrophobicContact CB-CG 4.45Å; K137-Q140 WeakPolarHBondContact O-CA 3.32Å; K137-Q140 VanDerWaalsContact O-CB 3.32Å; K137-Q140 WeakPolarHBondContact O-CB 3.46Å; K137-Q140 PolarHBondContact O-N 2.58Å; K137-Q141 PolarHBondContact O-N 3.37Å; K137-Q141 VanDerWaalsContact O-N 3.14Å
138	I	81.4	Confident	84.8	Confident	126 Å²	126	123.1 Å²	123.1	65%	0.646	56%	0.559	S	S	*	*	H	α-helix	trans	-50.7	-46.8	-176.4	-60.5	170.7	0	0	0	111.5	Q140 Q141 F142	I138-Q140 PolarHBondContact O-N 3.29Å; I138-Q141 WeakPolarHBondContact O-CB 3.43Å; I138-Q141 PolarHBondContact O-N 3.16Å; I138-Q141 VanDerWaalsContact O-N 3.15Å; I138-F142 HydrophobicContact CG2-CD2 3.88Å; I138-F142 HydrophobicContact CG2-CE2 3.96Å; I138-F142 VanDerWaalsContact O-CD2 3.3Å; I138-F142 WeakPolarHBondContact O-CD2 3.29Å; I138-F142 PolarHBondContact O-N 3.5Å
139	Q	79.9	Confident	84.7	Confident	148 Å²	148	124 Å²	124	69%	0.692	56%	0.564	S	S	*	*	H	α-helix	trans	-61	-26.6	177.1	62	179.3	-24.3	0	0	114.8	K137 S143	K137-Q139 VanDerWaalsContact C-N 3.27Å; K137-Q139 HydrophobicContact CB-CG 4.36Å; K137-Q139 PolarHBondContact O-N 3.42Å; K137-Q139 VanDerWaalsContact O-N 3.14Å; Q139-S143 WeakPolarHBondContact O-CB 3.32Å; Q139-S143 PolarHBondContact O-N 2.89Å
140	Q	83.6	Confident	84.7	Confident	67 Å²	67	121.9 Å²	121.9	31%	0.313	57%	0.569	S	S	.	*	H	α-helix	trans	-78.8	-37.2	177	-67.8	162.7	-26.1	0	0	110.9	P136 K137 I138 F142 S143	P136-Q140 HydrophobicContact CB-CB 4.09Å; K137-Q140 HydrophobicContact CB-CG 4.45Å; K137-Q140 WeakPolarHBondContact O-CA 3.32Å; K137-Q140 VanDerWaalsContact O-CB 3.32Å; K137-Q140 WeakPolarHBondContact O-CB 3.46Å; K137-Q140 PolarHBondContact O-N 2.58Å; I138-Q140 PolarHBondContact O-N 3.29Å; Q140-F142 VanDerWaalsContact C-N 3.28Å; Q140-F142 PolarHBondContact O-N 3.45Å; Q140-S143 WeakPolarHBondContact O-CB 3.5Å; Q140-S143 PolarHBondContact O-N 2.96Å; Q140-S143 PolarHBondContact O-OG 3.29Å
141	Q	81	Confident	84.7	Confident	101 Å²	101	123 Å²	123	47%	0.472	58%	0.576	S	S	.	*	H	α-helix	trans	-62.4	-33.8	174	-65.4	173.4	12	0	0	112.8	P136 K137 I138 D144	P136-Q141 HydrophobicContact CB-CG 4.02Å; P136-Q141 HydrophobicContact CG-CG 3.66Å; P136-Q141 PolarHBondContact O-NE2 3.34Å; K137-Q141 PolarHBondContact O-N 3.37Å; K137-Q141 VanDerWaalsContact O-N 3.14Å; I138-Q141 WeakPolarHBondContact O-CB 3.43Å; I138-Q141 PolarHBondContact O-N 3.16Å; I138-Q141 VanDerWaalsContact O-N 3.15Å; Q141-D144 VanDerWaalsContact O-OD1 3.13Å
142	F	84.3	Confident	84.9	Confident	113 Å²	113	118.5 Å²	118.5	50%	0.496	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.9	10.4	179.2	-69.4	-79.8	0	0	0	113	I138 Q140 D144 L145 K146	I138-F142 HydrophobicContact CG2-CD2 3.88Å; I138-F142 HydrophobicContact CG2-CE2 3.96Å; I138-F142 VanDerWaalsContact O-CD2 3.3Å; I138-F142 WeakPolarHBondContact O-CD2 3.29Å; I138-F142 PolarHBondContact O-N 3.5Å; Q140-F142 VanDerWaalsContact C-N 3.28Å; Q140-F142 PolarHBondContact O-N 3.45Å; F142-D144 VanDerWaalsContact C-N 3.34Å; F142-D144 PolarHBondContact O-N 3.4Å; F142-L145 HydrophobicContact CD1-CD1 3.81Å; F142-L145 HydrophobicContact CE1-CD1 4.15Å; F142-L145 PolarHBondContact O-N 2.55Å; F142-K146 WeakPolarHBondContact O-CB 3.35Å; F142-K146 PolarHBondContact O-N 3.26Å
143	S	87.7	Confident	85.2	Confident	54 Å²	54	115 Å²	115	38%	0.378	56%	0.557	S	S	.	*	H	α-helix	trans	-69.4	-33.6	-174.3	64.1	0	0	0	0	112.8	Q139 Q140 R147	Q139-S143 WeakPolarHBondContact O-CB 3.32Å; Q139-S143 PolarHBondContact O-N 2.89Å; Q140-S143 WeakPolarHBondContact O-CB 3.5Å; Q140-S143 PolarHBondContact O-N 2.96Å; Q140-S143 PolarHBondContact O-OG 3.29Å; S143-R147 WeakPolarHBondContact O-CB 3.49Å; S143-R147 PolarHBondContact O-N 3.3Å; S143-R147 VanDerWaalsContact O-N 3.07Å
144	D	87.1	Confident	85.5	Confident	98 Å²	98	115 Å²	115	52%	0.524	56%	0.555	S	S	.	*	H	α-helix	trans	-68.7	-46.7	172.2	59.5	-22.1	0	0	0	111.5	Q141 F142 R147 K148	Q141-D144 VanDerWaalsContact O-OD1 3.13Å; F142-D144 VanDerWaalsContact C-N 3.34Å; F142-D144 PolarHBondContact O-N 3.4Å; D144-R147 WeakPolarHBondContact O-CB 3.35Å; D144-R147 PolarHBondContact O-N 3.41Å; D144-K148 WeakPolarHBondContact O-CB 3.08Å; D144-K148 PolarHBondContact O-N 3.18Å
145	L	85.5	Confident	85.7	Confident	95 Å²	95	115.6 Å²	115.6	50%	0.497	56%	0.558	S	S	.	*	H	α-helix	trans	-66.2	-38	175.8	-70.9	-180	0	0	0	112.2	F142 R147 K148 L149	F142-L145 HydrophobicContact CD1-CD1 3.81Å; F142-L145 HydrophobicContact CE1-CD1 4.15Å; F142-L145 PolarHBondContact O-N 2.55Å; L145-R147 VanDerWaalsContact C-N 3.31Å; L145-R147 PolarHBondContact O-N 3.2Å; L145-K148 CarbonylContact O-C 3.6Å; L145-K148 PolarHBondContact O-N 2.83Å; L145-L149 WeakPolarHBondContact O-CB 3.21Å; L145-L149 PolarHBondContact O-N 2.68Å
146	K	85.8	Confident	85.8	Confident	161 Å²	161	113 Å²	113	70%	0.7	55%	0.553	S	S	*	*	H	α-helix	trans	-65.4	-35.6	174	-173.2	175.8	-178.5	-180	0	111.6	F142 L149 A150	F142-K146 WeakPolarHBondContact O-CB 3.35Å; F142-K146 PolarHBondContact O-N 3.26Å; K146-L149 WeakPolarHBondContact O-CB 3.44Å; K146-L149 PolarHBondContact O-N 2.83Å; K146-A150 PolarHBondContact O-N 3.43Å
147	R	88.6	Confident	85.8	Confident	195 Å²	195	117 Å²	117	74%	0.736	56%	0.563	S	S	*	*	H	α-helix	trans	-68.8	-39.6	172.5	-162.8	-179.8	-56	169	5.3	111.3	S143 D144 L145 L149 A150	S143-R147 WeakPolarHBondContact O-CB 3.49Å; S143-R147 PolarHBondContact O-N 3.3Å; S143-R147 VanDerWaalsContact O-N 3.07Å; D144-R147 WeakPolarHBondContact O-CB 3.35Å; D144-R147 PolarHBondContact O-N 3.41Å; L145-R147 VanDerWaalsContact C-N 3.31Å; L145-R147 PolarHBondContact O-N 3.2Å; R147-L149 VanDerWaalsContact C-N 3.3Å; R147-L149 PolarHBondContact O-N 3.08Å; R147-A150 WeakPolarHBondContact O-CB 3.27Å; R147-A150 PolarHBondContact O-N 2.86Å
148	K	86.3	Confident	85.8	Confident	160 Å²	160	117.6 Å²	117.6	70%	0.696	57%	0.572	S	S	*	*	H	α-helix	trans	-68	-29.4	175	-157.4	171.4	-174.2	175.6	0	112.7	D144 L145 A150 E151	D144-K148 WeakPolarHBondContact O-CB 3.08Å; D144-K148 PolarHBondContact O-N 3.18Å; L145-K148 CarbonylContact O-C 3.6Å; L145-K148 PolarHBondContact O-N 2.83Å; K148-A150 PolarHBondContact O-N 3.29Å; K148-E151 VanDerWaalsContact O-CB 3.23Å; K148-E151 WeakPolarHBondContact O-CB 3.18Å; K148-E151 PolarHBondContact O-N 3.46Å
149	L	84.8	Confident	85.9	Confident	90 Å²	90	115.3 Å²	115.3	47%	0.471	57%	0.568	S	S	.	*	H	α-helix	trans	-67.1	-22.8	173.3	-165	76.1	0	0	0	112.1	L145 K146 R147 E151 V152 W157	L145-L149 WeakPolarHBondContact O-CB 3.21Å; L145-L149 PolarHBondContact O-N 2.68Å; K146-L149 WeakPolarHBondContact O-CB 3.44Å; K146-L149 PolarHBondContact O-N 2.83Å; R147-L149 VanDerWaalsContact C-N 3.3Å; R147-L149 PolarHBondContact O-N 3.08Å; L149-E151 PolarHBondContact O-N 2.74Å; L149-V152 WeakPolarHBondContact O-CG1 3.32Å; L149-V152 PolarHBondContact O-N 3.25Å; L149-W157 HydrophobicContact CD1-CH2 4.47Å; L149-W157 HydrophobicContact CD1-CZ2 4.29Å; L149-W157 HydrophobicContact CD2-CH2 3.8Å; L149-W157 HydrophobicContact CD2-CZ2 3.79Å; L149-W157 HydrophobicContact CG-CH2 4.21Å; L149-W157 HydrophobicContact CG-CZ2 3.8Å
150	A	86.3	Confident	85.9	Confident	84 Å²	84	113.1 Å²	113.1	69%	0.694	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-15.9	173.9	0	0	0	0	0	113.1	K146 R147 K148 V152	K146-A150 PolarHBondContact O-N 3.43Å; R147-A150 WeakPolarHBondContact O-CB 3.27Å; R147-A150 PolarHBondContact O-N 2.86Å; K148-A150 PolarHBondContact O-N 3.29Å; A150-V152 VanDerWaalsContact C-N 3.31Å
151	E	90.3	Very high	85.6	Confident	166 Å²	166	115.1 Å²	115.1	78%	0.776	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-21	175.7	-164.3	66.4	-161.1	0	0	112.4	K148 L149 T153	K148-E151 VanDerWaalsContact O-CB 3.23Å; K148-E151 WeakPolarHBondContact O-CB 3.18Å; K148-E151 PolarHBondContact O-N 3.46Å; L149-E151 PolarHBondContact O-N 2.74Å; E151-T153 PolarHBondContact O-N 2.88Å
152	V	89.4	Confident	85.4	Confident	46 Å²	46	118.2 Å²	118.2	28%	0.279	59%	0.593	S	S	.	*	S	Bend	trans	-73.8	128.2	-176.9	87.9	0	0	0	0	109.5	L149 A150 E156 W157	L149-V152 WeakPolarHBondContact O-CG1 3.32Å; L149-V152 PolarHBondContact O-N 3.25Å; A150-V152 VanDerWaalsContact C-N 3.31Å; V152-E156 HydrophobicContact CG2-CB 3.79Å; V152-E156 WeakPolarHBondContact CG2-OE2 3.23Å; V152-W157 VanDerWaalsContact CG1-CD1 3.49Å; V152-W157 HydrophobicContact CG1-CD2 4.22Å; V152-W157 VanDerWaalsContact CG1-CE2 3.45Å; V152-W157 HydrophobicContact CG1-CG 4.24Å; V152-W157 HydrophobicContact CG1-CZ2 3.96Å
153	T	90.8	Very high	84.7	Confident	66 Å²	66	119.9 Å²	119.9	41%	0.405	61%	0.612	S	S	.	*			trans	-73.8	158.5	-174	64.6	0	0	0	0	111.5	E151 E155 E156 W157	E151-T153 PolarHBondContact O-N 2.88Å; T153-E155 PolarHBondContact O-N 2.93Å; T153-E156 PolarHBondContact O-N 3.43Å; T153-E156 VanDerWaalsContact O-N 3.12Å; T153-W157 VanDerWaalsContact O-CD1 3.28Å; T153-W157 PolarHBondContact O-N 3.48Å
154	E	87.9	Confident	83.1	Confident	159 Å²	159	119.9 Å²	119.9	74%	0.743	62%	0.621	S	S	*	*	H	α-helix	trans	-60.3	-29.7	177.4	-66.5	-172.9	175.7	0	0	112.2	W157 L158	E154-W157 WeakPolarHBondContact O-CB 3.49Å; E154-W157 PolarHBondContact O-N 3.2Å; E154-L158 WeakPolarHBondContact O-CD1 3.36Å; E154-L158 PolarHBondContact O-N 3.02Å
155	E	86.2	Confident	81.5	Confident	155 Å²	155	120.2 Å²	120.2	72%	0.724	62%	0.622	S	S	*	*	H	α-helix	trans	-66.3	-38.5	176.1	-67.1	145.2	170.8	0	0	112.3	T153 L158 S159	T153-E155 PolarHBondContact O-N 2.93Å; E155-L158 PolarHBondContact O-N 3.37Å; E155-S159 WeakPolarHBondContact O-CB 3.41Å; E155-S159 PolarHBondContact O-N 2.88Å; E155-S159 VanDerWaalsContact O-N 3.14Å; E155-S159 PolarHBondContact O-OG 2.9Å
156	E	84.5	Confident	80.2	Confident	113 Å²	113	120.7 Å²	120.7	53%	0.528	64%	0.64	S	S	.	*	H	α-helix	trans	-70	-33.5	172.5	-72.3	-171.2	162.2	0	0	111.5	V152 T153 S159 I160	V152-E156 HydrophobicContact CG2-CB 3.79Å; V152-E156 WeakPolarHBondContact CG2-OE2 3.23Å; T153-E156 PolarHBondContact O-N 3.43Å; T153-E156 VanDerWaalsContact O-N 3.12Å; E156-S159 WeakPolarHBondContact CA-OG 3.33Å; E156-S159 PolarHBondContact O-N 3.41Å; E156-S159 PolarHBondContact O-OG 3.07Å; E156-I160 VanDerWaalsContact O-CG1 3.32Å; E156-I160 WeakPolarHBondContact O-CG1 3.37Å; E156-I160 PolarHBondContact O-N 3.44Å
157	W	85.9	Confident	78.7	Confident	122 Å²	122	123.5 Å²	123.5	46%	0.462	65%	0.646	S	S	.	*	H	α-helix	trans	-63.4	-42.3	172	-82.8	106.7	0	0	0	113.2	L149 V152 T153 E154 S159 I160	L149-W157 HydrophobicContact CD1-CH2 4.47Å; L149-W157 HydrophobicContact CD1-CZ2 4.29Å; L149-W157 HydrophobicContact CD2-CH2 3.8Å; L149-W157 HydrophobicContact CD2-CZ2 3.79Å; L149-W157 HydrophobicContact CG-CH2 4.21Å; L149-W157 HydrophobicContact CG-CZ2 3.8Å; V152-W157 VanDerWaalsContact CG1-CD1 3.49Å; V152-W157 HydrophobicContact CG1-CD2 4.22Å; V152-W157 VanDerWaalsContact CG1-CE2 3.45Å; V152-W157 HydrophobicContact CG1-CG 4.24Å; V152-W157 HydrophobicContact CG1-CZ2 3.96Å; T153-W157 VanDerWaalsContact O-CD1 3.28Å; T153-W157 PolarHBondContact O-N 3.48Å; E154-W157 WeakPolarHBondContact O-CB 3.49Å; E154-W157 PolarHBondContact O-N 3.2Å; W157-S159 VanDerWaalsContact C-N 3.3Å; W157-I160 HydrophobicContact CD2-CD1 4.33Å; W157-I160 HydrophobicContact CE3-CD1 3.54Å; W157-I160 HydrophobicContact CZ3-CD1 3.92Å; W157-I160 WeakPolarHBondContact O-CG1 3.46Å
158	L	84.2	Confident	77.2	Confident	150 Å²	150	119 Å²	119	79%	0.785	64%	0.637	S	S	*	*	H	α-helix	trans	-72.8	-23.8	177.9	-85.3	87.6	0	0	0	112.8	E154 E155	E154-L158 WeakPolarHBondContact O-CD1 3.36Å; E154-L158 PolarHBondContact O-N 3.02Å; E155-L158 PolarHBondContact O-N 3.37Å
159	S	83.3	Confident	75.8	Confident	79 Å²	79	119.6 Å²	119.6	55%	0.552	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	4.4	179.9	58.6	0	0	0	0	114.2	E155 E156 W157 P161	E155-S159 WeakPolarHBondContact O-CB 3.41Å; E155-S159 PolarHBondContact O-N 2.88Å; E155-S159 VanDerWaalsContact O-N 3.14Å; E155-S159 PolarHBondContact O-OG 2.9Å; E156-S159 WeakPolarHBondContact CA-OG 3.33Å; E156-S159 PolarHBondContact O-N 3.41Å; E156-S159 PolarHBondContact O-OG 3.07Å; W157-S159 VanDerWaalsContact C-N 3.3Å; S159-P161 WeakPolarHBondContact O-CD 3.3Å; S159-P161 VanDerWaalsContact O-N 3.09Å
160	I	80.4	Confident	74.3	Confident	102 Å²	102	125.7 Å²	125.7	52%	0.523	66%	0.656	S	S	.	*	P	Polyproline II helix	trans	-56.4	116.3	167.6	-62.1	-178.4	0	0	0	108.1	E156 W157 E162	E156-I160 VanDerWaalsContact O-CG1 3.32Å; E156-I160 WeakPolarHBondContact O-CG1 3.37Å; E156-I160 PolarHBondContact O-N 3.44Å; W157-I160 HydrophobicContact CD2-CD1 4.33Å; W157-I160 HydrophobicContact CE3-CD1 3.54Å; W157-I160 HydrophobicContact CZ3-CD1 3.92Å; W157-I160 WeakPolarHBondContact O-CG1 3.46Å; I160-E162 PolarHBondContact O-N 3.25Å
161	P	77	Confident	72.9	Confident	109 Å²	109	129.3 Å²	129.3	71%	0.708	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-63.3	139.1	177.4	-18.7	31.6	0	0	0	109.6	S159	S159-P161 WeakPolarHBondContact O-CD 3.3Å; S159-P161 VanDerWaalsContact O-N 3.09Å
162	E	77.8	Confident	71.2	Confident	165 Å²	165	131.2 Å²	131.2	77%	0.771	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-61.6	163.6	163.8	69.4	-88.2	-166.3	0	0	110.3	I160 G164	I160-E162 PolarHBondContact O-N 3.25Å; E162-G164 PolarHBondContact O-N 2.86Å
163	V	68.2	Low	69.5	Low	149 Å²	149	135.8 Å²	135.8	90%	0.903	68%	0.681	S	S	*	*			trans	-66.6	73.1	171	-70.8	0	0	0	0	110.6	D165	V163-D165 PolarHBondContact O-N 2.87Å
164	G	55.1	Low	67.6	Low	54 Å²	54	137.7 Å²	137.7	56%	0.557	70%	0.695	S	S	*	*			trans	-54.8	135.3	167.6	0	0	0	0	0	108.9	E162 A166	E162-G164 PolarHBondContact O-N 2.86Å; G164-A166 VanDerWaalsContact C-N 3.33Å; G164-A166 PolarHBondContact O-N 3.23Å
165	D	52.5	Low	65.9	Low	104 Å²	104	141.3 Å²	141.3	56%	0.556	70%	0.702	S	S	*	*			trans	-48.3	82.6	-167.6	-83.8	-47.2	0	0	0	114	V163 R167	V163-D165 PolarHBondContact O-N 2.87Å; D165-R167 PolarHBondContact O-N 3.41Å
166	A	58.9	Low	64.3	Low	105 Å²	105	145.6 Å²	145.6	87%	0.868	71%	0.713	S	S	*	*	S	Bend	trans	-74.1	-6.4	164.6	0	0	0	0	0	111.6	G164	G164-A166 VanDerWaalsContact C-N 3.33Å; G164-A166 PolarHBondContact O-N 3.23Å
167	R	54.8	Low	62.8	Low	221 Å²	221	148 Å²	148	83%	0.834	73%	0.725	S	S	*	*	S	Bend	trans	-139.3	102.4	169.2	-97	177.9	151.4	-175.4	-5.3	109.5	D165 K169	D165-R167 PolarHBondContact O-N 3.41Å; R167-K169 VanDerWaalsContact C-N 3.28Å; R167-K169 PolarHBondContact O-N 2.91Å
168	N	56.6	Low	61.1	Low	101 Å²	101	151.7 Å²	151.7	54%	0.54	74%	0.744	S	S	.	*			trans	-47.7	78.1	171.1	-89.6	-24.8	0	0	0	113.6
169	K	57.2	Low	59.9	Low	172 Å²	172	152.6 Å²	152.6	75%	0.748	75%	0.748	S	S	*	*			trans	-99.4	-27.7	174.5	-149.8	174.6	-176.5	-178.3	0	111.4	R167 R172	R167-K169 VanDerWaalsContact C-N 3.28Å; R167-K169 PolarHBondContact O-N 2.91Å; K169-R172 PolarHBondContact O-N 3.43Å
170	R	53.6	Low	59	Low	217 Å²	217	154.2 Å²	154.2	82%	0.819	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-77.5	-28.7	179.9	-137.3	177.2	-178	-176.6	1.9	114.1	R172	R170-R172 PolarHBondContact O-N 2.88Å
171	Q	55.7	Low	58.2	Low	161 Å²	161	155.3 Å²	155.3	75%	0.752	77%	0.769	S	S	*	*	G	3₁₀ helix	trans	-75.4	-9.1	168.7	-76.8	-177.1	-3.4	0	0	113.4
172	R	55.3	Low	57.5	Low	206 Å²	206	154.2 Å²	154.2	78%	0.777	76%	0.76	S	S	*	*	G	3₁₀ helix	trans	-99.4	-2.8	-173.2	-141.7	178.7	167.2	-164.3	-5.9	114.6	K169 R170 P174	K169-R172 PolarHBondContact O-N 3.43Å; R170-R172 PolarHBondContact O-N 2.88Å; R172-P174 WeakPolarHBondContact O-CD 3.28Å
173	N	53.8	Low	56.7	Low	141 Å²	141	150.6 Å²	150.6	75%	0.754	75%	0.751	S	S	*	*			trans	-107	99.6	167.5	-85.5	2.4	0	0	0	109.4	R175	N173-R175 PolarHBondContact O-N 2.63Å
174	P	51.3	Low	56.2	Low	107 Å²	107	150 Å²	150	70%	0.695	74%	0.742	S	S	*	*			trans	-58.6	139	161.3	-10.7	25.5	0	0	0	108.2	R172	R172-P174 WeakPolarHBondContact O-CD 3.28Å
175	R	51.1	Low	56.3	Low	235 Å²	235	151.4 Å²	151.4	89%	0.887	74%	0.744	S	S	*	*			trans	-49.5	147.1	166.5	-77.2	177.2	166.4	171.5	-4.2	109.5	N173 E177	N173-R175 PolarHBondContact O-N 2.63Å; R175-E177 PolarHBondContact O-N 2.81Å
176	Y	53.7	Low	56.3	Low	244 Å²	244	152.4 Å²	152.4	96%	0.957	74%	0.744	S	S	*	*			trans	-42.8	107	167.8	-94.2	-93.3	0	0	0	110.4
177	E	51.9	Low	56.2	Low	164 Å²	164	154 Å²	154	77%	0.766	73%	0.732	S	S	*	*			trans	-73.8	128.1	169.4	-74.2	-172.9	161.4	0	0	108.2	R175 L179	R175-E177 PolarHBondContact O-N 2.81Å; E177-L179 PolarHBondContact O-N 3.15Å; E177-L179 VanDerWaalsContact O-N 3.12Å
178	K	51.7	Low	56.2	Low	200 Å²	200	146.8 Å²	146.8	87%	0.87	72%	0.719	S	S	*	*			trans	-62.6	109.2	161.5	-109.6	177.5	172.8	-179.2	0	107	T180	K178-T180 PolarHBondContact O-N 3Å; K178-T180 VanDerWaalsContact O-N 3.15Å
179	L	57.6	Low	55.8	Low	168 Å²	168	149.6 Å²	149.6	88%	0.88	73%	0.726	S	S	*	*			trans	-68.4	106.1	170.1	-76.7	148.4	0	0	0	109.1	E177	E177-L179 PolarHBondContact O-N 3.15Å; E177-L179 VanDerWaalsContact O-N 3.12Å
180	T	64.3	Low	55.2	Low	113 Å²	113	146.9 Å²	146.9	69%	0.693	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-84.4	139.1	156.9	46.4	0	0	0	0	108.6	K178 V182	K178-T180 PolarHBondContact O-N 3Å; K178-T180 VanDerWaalsContact O-N 3.15Å; T180-V182 PolarHBondContact O-N 3.19Å
181	P	65.1	Low	55	Low	126 Å²	126	144.2 Å²	144.2	82%	0.818	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-55.7	130.2	172.6	-21.7	31.9	0	0	0	110.6
182	V	62.3	Low	54.7	Low	86 Å²	86	145.1 Å²	145.1	52%	0.521	72%	0.721	S	S	.	*	P	Polyproline II helix	trans	-72.9	136.7	177.9	-177.8	0	0	0	0	108.7	T180 F186	T180-V182 PolarHBondContact O-N 3.19Å; V182-F186 HydrophobicContact CG1-CB 3.64Å; V182-F186 HydrophobicContact CG1-CD2 4.45Å; V182-F186 HydrophobicContact CG1-CG 3.99Å
183	P	60.4	Low	54.2	Low	89 Å²	89	139.4 Å²	139.4	58%	0.578	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-69.7	141.8	179.1	-10.7	24.6	0	0	0	111.6	S185 F186	P183-S185 PolarHBondContact O-N 2.92Å; P183-F186 PolarHBondContact O-N 3.36Å
184	D	58.4	Low	53.9	Low	135 Å²	135	136.4 Å²	136.4	72%	0.722	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.1	-20.6	-175.5	-67.1	-17.1	0	0	0	115.1	F186 F187 A188	D184-F186 PolarHBondContact O-N 2.73Å; D184-F186 VanDerWaalsContact O-N 3.12Å; D184-F187 PolarHBondContact O-N 3.26Å; D184-F187 VanDerWaalsContact O-N 3.08Å; D184-A188 PolarHBondContact O-N 2.95Å
185	S	57.2	Low	53.4	Low	85 Å²	85	139.2 Å²	139.2	59%	0.594	72%	0.716	S	S	*	*	H	α-helix	trans	-56.5	-22	171.4	62.1	0	0	0	0	114.9	P183	P183-S185 PolarHBondContact O-N 2.92Å
186	F	52.5	Low	52.8	Low	124 Å²	124	134.9 Å²	134.9	54%	0.544	71%	0.71	S	S	.	*	H	α-helix	trans	-73.8	-33.7	176.6	-155.9	-90.6	0	0	0	111.8	V182 P183 D184 H190	V182-F186 HydrophobicContact CG1-CB 3.64Å; V182-F186 HydrophobicContact CG1-CD2 4.45Å; V182-F186 HydrophobicContact CG1-CG 3.99Å; P183-F186 PolarHBondContact O-N 3.36Å; D184-F186 PolarHBondContact O-N 2.73Å; D184-F186 VanDerWaalsContact O-N 3.12Å; F186-H190 AromaticContact CE1-CD2 3.89Å; F186-H190 AromaticContact CE1-NE2 3.9Å
187	F	54.9	Low	52	Low	140 Å²	140	131.5 Å²	131.5	61%	0.614	70%	0.703	S	S	*	*	H	α-helix	trans	-73.2	-34.7	176.4	-65.1	-70.4	0	0	0	112.3	D184 K189 H190 L191	D184-F187 PolarHBondContact O-N 3.26Å; D184-F187 VanDerWaalsContact O-N 3.08Å; F187-K189 VanDerWaalsContact C-N 3.27Å; F187-K189 PolarHBondContact O-N 3.34Å; F187-H190 PolarHBondContact O-N 3.11Å; F187-L191 PolarHBondContact O-N 2.95Å
188	A	55	Low	51.6	Low	68 Å²	68	129.5 Å²	129.5	56%	0.562	70%	0.702	S	S	*	*	H	α-helix	trans	-63.8	-30.8	178.6	0	0	0	0	0	113.2	D184	D184-A188 PolarHBondContact O-N 2.95Å
189	K	48.4	Very low	50.8	Low	160 Å²	160	124.4 Å²	124.4	70%	0.696	69%	0.691	S	S	*	*	H	α-helix	trans	-78	-32.9	178.3	-101.4	-178.3	175	179.3	0	113.8	F187 T193	F187-K189 VanDerWaalsContact C-N 3.27Å; F187-K189 PolarHBondContact O-N 3.34Å; K189-T193 PolarHBondContact O-OG1 3.2Å
190	H	45.5	Very low	49.8	Very low	116 Å²	116	122.3 Å²	122.3	54%	0.537	69%	0.685	S	S	.	*	H	α-helix	trans	-81.9	-14	179	-84.1	-32.9	0	0	0	114.1	F186 F187 Q192	F186-H190 AromaticContact CE1-CD2 3.89Å; F186-H190 AromaticContact CE1-NE2 3.9Å; F187-H190 PolarHBondContact O-N 3.11Å; H190-Q192 VanDerWaalsContact C-N 3.31Å; H190-Q192 PolarHBondContact O-N 3.09Å
191	L	48.2	Very low	48.3	Very low	160 Å²	160	120.6 Å²	120.6	84%	0.838	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-23.3	172.4	-142.8	80.4	0	0	0	113.2	F187	F187-L191 PolarHBondContact O-N 2.95Å
192	Q	50.1	Low	47.2	Very low	180 Å²	180	119.3 Å²	119.3	84%	0.841	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-19	-179.2	-85.8	-177.5	-10.9	0	0	114.8	H190	H190-Q192 VanDerWaalsContact C-N 3.31Å; H190-Q192 PolarHBondContact O-N 3.09Å
193	T	44.9	Very low	46.4	Very low	86 Å²	86	124.7 Å²	124.7	53%	0.528	67%	0.674	S	S	.	*	S	Bend	trans	-114.1	87.2	172	51.9	0	0	0	0	108	K189 E195	K189-T193 PolarHBondContact O-OG1 3.2Å; T193-E195 PolarHBondContact O-N 2.86Å
194	G	48.3	Very low	45.6	Very low	79 Å²	79	127.4 Å²	127.4	81%	0.814	68%	0.679	S	S	*	*			trans	-69.2	61.8	175.6	0	0	0	0	0	113
195	E	39.2	Very low	45	Very low	166 Å²	166	126.9 Å²	126.9	78%	0.776	68%	0.681	S	S	*	*			trans	-112.1	88	162.9	-82.3	-173	160.3	0	0	108.6	T193 H197	T193-E195 PolarHBondContact O-N 2.86Å; E195-H197 PolarHBondContact O-N 2.9Å
196	N	39.5	Very low	44.3	Very low	143 Å²	143	130.2 Å²	130.2	77%	0.765	69%	0.687	S	S	*	*			trans	-87.8	88.9	159.6	-78.6	-10	0	0	0	108.2	T198	N196-T198 PolarHBondContact O-N 2.66Å
197	H	36.3	Very low	43.8	Very low	174 Å²	174	132.9 Å²	132.9	81%	0.806	70%	0.699	S	S	*	*			trans	-71.4	80.6	153.9	-111.8	-73.7	0	0	0	107.9	E195	E195-H197 PolarHBondContact O-N 2.9Å
198	T	43.1	Very low	42.6	Very low	122 Å²	122	130 Å²	130	75%	0.748	71%	0.709	S	S	*	*			trans	-125.3	65.5	166.3	52.1	0	0	0	0	109.1	N196	N196-T198 PolarHBondContact O-N 2.66Å
199	S	35.3	Very low	41.6	Very low	92 Å²	92	129.5 Å²	129.5	64%	0.643	71%	0.711	S	S	*	*			trans	-126.4	108.4	153.3	62.8	0	0	0	0	107.5	D201	S199-D201 PolarHBondContact O-N 3.19Å
200	V	36.1	Very low	40.8	Very low	124 Å²	124	130 Å²	130	75%	0.752	72%	0.72	S	S	*	*			trans	-60.1	118.2	156.4	-176.7	0	0	0	0	105.7	P202	V200-P202 WeakPolarHBondContact O-CD 2.8Å
201	D	34.5	Very low	40	Very low	78 Å²	78	131.5 Å²	131.5	42%	0.417	73%	0.732	S	S	.	*			trans	-57.2	119.9	-178.5	-175.2	-3.7	0	0	0	110.4	S199 R203 Q204	S199-D201 PolarHBondContact O-N 3.19Å; D201-R203 PolarHBondContact O-N 3.03Å; D201-R203 WeakPolarHBondContact OD1-CB 3.43Å; D201-R203 PolarHBondContact OD1-N 3.39Å; D201-Q204 PolarHBondContact O-N 3.47Å
202	P	42	Very low	39	Very low	98 Å²	98	130.3 Å²	130.3	64%	0.636	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-11.1	175.3	-21.5	33.1	0	0	0	113.8	V200 T205	V200-P202 WeakPolarHBondContact O-CD 2.8Å; P202-T205 PolarHBondContact O-OG1 3.3Å
203	R	45	Very low	38.3	Very low	199 Å²	199	127.6 Å²	127.6	75%	0.751	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-16.3	171.8	-63.8	179.4	88.8	121	-2.5	113.4	D201 F207	D201-R203 PolarHBondContact O-N 3.03Å; D201-R203 WeakPolarHBondContact OD1-CB 3.43Å; D201-R203 PolarHBondContact OD1-N 3.39Å; R203-F207 PolarHBondContact O-N 3.39Å
204	Q	43	Very low	37.4	Very low	146 Å²	146	134.3 Å²	134.3	68%	0.682	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-15.2	174.4	-104.4	-178.2	11.9	0	0	113.9	D201	D201-Q204 PolarHBondContact O-N 3.47Å
205	T	45.1	Very low	36.8	Very low	124 Å²	124	135.7 Å²	135.7	76%	0.761	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-16.1	171.5	34.9	0	0	0	0	113.8	P202	P202-T205 PolarHBondContact O-OG1 3.3Å
206	Q	44	Very low	36.4	Very low	155 Å²	155	132 Å²	132	72%	0.724	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.7	-27.3	-172	-150.6	156.7	2.6	0	0	114.8
207	F	42.3	Very low	35.7	Very low	181 Å²	181	129 Å²	129	79%	0.794	75%	0.751	S	S	*	*			trans	-147.4	82.2	172.3	-81.5	-84.2	0	0	0	111	R203 G209	R203-F207 PolarHBondContact O-N 3.39Å; F207-G209 PolarHBondContact O-N 3.24Å
208	G	29.6	Very low	35.2	Very low	80 Å²	80	128.6 Å²	128.6	83%	0.825	75%	0.753	S	S	*	*			trans	-74.7	85.7	170.7	0	0	0	0	0	111.6
209	G	33.3	Very low	34.3	Very low	57 Å²	57	128.6 Å²	128.6	59%	0.588	75%	0.749	S	S	*	*			trans	-169.5	113.9	164.6	0	0	0	0	0	110.1	F207	F207-G209 PolarHBondContact O-N 3.24Å
210	L	32.3	Very low	33.9	Very low	171 Å²	171	129.8 Å²	129.8	90%	0.895	75%	0.753	S	S	*	*				-169.4	141.8	129.8	-122.4	103.2	0	0	0	112.6
211	N	27.4	Very low	34.4	Very low	147 Å²	147	128.7 Å²	128.7	79%	0.786	75%	0.748	S	S	*	*			trans	-30.4	135.8	161.1	-66.6	-25.7	0	0	0	114.8
212	T	28.4	Very low	33.9	Very low	134 Å²	134	135.7 Å²	135.7	82%	0.822	77%	0.77	S	S	*	*			trans	-91	142.6	150.1	42.6	0	0	0	0	109.2
213	P	34.4	Very low	33.7	Very low	123 Å²	123	135.8 Å²	135.8	80%	0.799	77%	0.771	S	S	*	*			trans	-82.6	138.1	178.2	33.4	-31.2	0	0	0	110.1
214	Y	26.8	Very low	32.7	Very low	228 Å²	228	130.3 Å²	130.3	89%	0.894	78%	0.776	S	S	*	*			trans	-125.7	142.9	161.6	-138	-100	0	0	0	109.8
215	P	35.7	Very low	32	Very low	108 Å²	108	126.7 Å²	126.7	70%	0.701	78%	0.778	S	S	*	*			trans	-90.4	143.7	-170	31.6	-22.2	0	0	0	112.4
216	G	29.9	Very low	31.1	Very low	87 Å²	87	129.8 Å²	129.8	90%	0.897	79%	0.786	S	S	*	*			trans	75.3	106.9	149.3	0	0	0	0	0	117.7
217	G	25.3	Very low	30.5	Very low	82 Å²	82	128.5 Å²	128.5	85%	0.845	79%	0.789	S	S	*	*			trans	-152.4	98.8	164	0	0	0	0	0	111.1
218	L	25.8	Very low	30.2	Very low	164 Å²	164	126.2 Å²	126.2	86%	0.859	79%	0.792	S	S	*	*			trans	-78	131.8	167.8	-129.3	100.8	0	0	0	109.4
219	N	25.1	Very low	30.2	Very low	122 Å²	122	125.4 Å²	125.4	65%	0.652	78%	0.784	S	S	*	*			trans	62	109.4	138.6	-82.4	11.2	0	0	0	123.5
220	T	26.5	Very low	30.6	Very low	118 Å²	118	131 Å²	131	72%	0.724	80%	0.8	S	S	*	*				75.2	167.5	120.3	62	0	0	0	0	119.8
221	P	45.7	Very low	30.5	Very low	101 Å²	101	131.6 Å²	131.6	66%	0.656	80%	0.8	S	S	*	*			cis	-137.7	163.1	-33.7	29.4	-11.3	0	0	0	112.8
222	Y	24.2	Very low	30.9	Very low	225 Å²	225	130.3 Å²	130.3	88%	0.882	80%	0.798	S	S	*	*			trans	178.8	160.7	131.7	-117.9	-118.3	0	0	0	111.2
223	P	37	Very low	32	Very low	100 Å²	100	130.2 Å²	130.2	65%	0.649	80%	0.799	S	S	*	*				-140	178.9	-107.1	30.5	-4.1	0	0	0	114.9
224	G	25.7	Very low	32	Very low	83 Å²	83	127.8 Å²	127.8	86%	0.856	80%	0.797	S	S	*	*			trans	95.3	133.3	160.9	0	0	0	0	0	113.9
225	G	26.8	Very low	33.1	Very low	71 Å²	71	123.9 Å²	123.9	73%	0.732	80%	0.797	S	S	*	*			cis	-157.1	173.8	-8	0	0	0	0	0	105.4
226	M	26.9	Very low	33.9	Very low	189 Å²	189	122.5 Å²	122.5	93%	0.931	80%	0.802	S	S	*	*			cis	-149.7	150.1	7.6	-79.3	178.5	144	0	0	107
227	T	31.7	Very low	34.8	Very low	128 Å²	128	127.8 Å²	127.8	79%	0.785	80%	0.804	S	S	*	*			trans	-55	166	168.2	49.5	0	0	0	0	113.4
228	P	36.3	Very low	36.4	Very low	132 Å²	132	129.9 Å²	129.9	86%	0.857	80%	0.795	S	S	*	*				-128.5	144	85.4	9.6	12.1	0	0	0	113.4
229	G	29.1	Very low	38	Very low	64 Å²	64	125.6 Å²	125.6	66%	0.66	77%	0.773	S	S	*	*			trans	-77	168.6	179.4	0	0	0	0	0	114.4
230	L	42.1	Very low	40.2	Very low	175 Å²	175	126.1 Å²	126.1	92%	0.916	77%	0.773	S	S	*	*			trans	49.6	93.1	136	-150	82.7	0	0	0	117.4
231	M	29.6	Very low	42.5	Very low	182 Å²	182	129.9 Å²	129.9	90%	0.897	77%	0.774	S	S	*	*			trans	-139.8	141.8	138.5	-70.8	-151.3	109.8	0	0	111.3
232	T	36.5	Very low	43.8	Very low	120 Å²	120	131.8 Å²	131.8	74%	0.736	77%	0.772	S	S	*	*			trans	-30.1	166.2	161.1	10.7	0	0	0	0	116.8	G234	T232-G234 PolarHBondContact O-N 3.07Å; T232-G234 VanDerWaalsContact O-N 3.09Å
233	P	50.8	Low	46.4	Very low	132 Å²	132	124.3 Å²	124.3	86%	0.857	75%	0.747	S	S	*	*			trans	-67.1	109.5	-156.3	28.5	-34.3	0	0	0	112.7
234	G	34.5	Very low	48.6	Very low	72 Å²	72	121.4 Å²	121.4	74%	0.742	73%	0.734	S	S	*	*			trans	-98.3	117.5	171.5	0	0	0	0	0	110.6	T232	T232-G234 PolarHBondContact O-N 3.07Å; T232-G234 VanDerWaalsContact O-N 3.09Å
235	T	50.8	Low	51.5	Low	147 Å²	147	123.4 Å²	123.4	90%	0.902	72%	0.721	S	S	*	*			trans	-37.6	131.1	172.3	48.1	0	0	0	0	115.9
236	G	51	Low	54.2	Low	79 Å²	79	122.8 Å²	122.8	81%	0.814	71%	0.709	S	S	*	*			trans	102.9	69.8	139.8	0	0	0	0	0	118.7
237	E	48.9	Very low	57	Low	198 Å²	198	122.3 Å²	122.3	93%	0.925	70%	0.697	S	S	*	*			trans	-141.1	113.2	147.6	-160.3	172.7	-175.1	0	0	110.2
238	L	58.8	Low	59.7	Low	125 Å²	125	121.4 Å²	121.4	65%	0.654	69%	0.688	S	S	*	*			trans	-90.1	111.3	179.9	-178.8	70.9	0	0	0	109.2	M240	L238-M240 HydrophobicContact CD2-SD 3.56Å; L238-M240 VanDerWaalsContact CD2-SD 3.56Å; L238-M240 HydrophobicContact CG-SD 4.09Å; L238-M240 PolarHBondContact O-N 3.41Å
239	D	60.5	Low	62.2	Low	74 Å²	74	119.5 Å²	119.5	40%	0.396	67%	0.674	S	S	.	*			trans	-70.8	91.4	174.7	-173.5	-9.8	0	0	0	110.8	R241 K242 I243	D239-R241 PolarHBondContact O-N 2.75Å; D239-R241 VanDerWaalsContact O-N 3.16Å; D239-R241 WeakPolarHBondContact OD1-CB 2.88Å; D239-R241 PolarHBondContact OD1-N 2.97Å; D239-R241 VanDerWaalsContact OD1-N 3.12Å; D239-K242 HydrophobicContact CB-CB 4.35Å; D239-K242 HydrophobicContact CB-CD 4.34Å; D239-K242 HydrophobicContact CB-CG 4.48Å; D239-K242 PolarHBondContact O-N 2.93Å; D239-K242 PolarHBondContact OD1-N 2.73Å; D239-K242 WeakPolarHBondContact OD2-CD 3.5Å; D239-K242 VanDerWaalsContact OD2-CE 3.23Å; D239-K242 WeakPolarHBondContact OD2-CE 3.22Å; D239-K242 VanDerWaalsContact OD2-CG 3.27Å; D239-K242 WeakPolarHBondContact OD2-CG 3.24Å; D239-K242 IonicContact OD2-NZ 3.03Å; D239-I243 PolarHBondContact O-N 3.32Å
240	M	71.1	Confident	65	Low	134 Å²	134	120.5 Å²	120.5	66%	0.66	66%	0.663	S	S	*	*	H	α-helix	trans	-64.2	-15.3	-178.6	-67.7	-68.9	-94.7	0	0	113.3	L238 I243 G244	L238-M240 HydrophobicContact CD2-SD 3.56Å; L238-M240 VanDerWaalsContact CD2-SD 3.56Å; L238-M240 HydrophobicContact CG-SD 4.09Å; L238-M240 PolarHBondContact O-N 3.41Å; M240-I243 WeakPolarHBondContact O-CG2 3.35Å; M240-I243 HydrophobicContact SD-CG2 4.2Å; M240-G244 PolarHBondContact O-N 3.14Å
241	R	74.1	Confident	67.2	Low	196 Å²	196	117.6 Å²	117.6	74%	0.74	65%	0.647	S	S	*	*	H	α-helix	trans	-79.3	-41.5	174.3	-67.2	-176.6	168.7	-179.7	-2.1	111.2	D239 G244 Q245	D239-R241 PolarHBondContact O-N 2.75Å; D239-R241 VanDerWaalsContact O-N 3.16Å; D239-R241 WeakPolarHBondContact OD1-CB 2.88Å; D239-R241 PolarHBondContact OD1-N 2.97Å; D239-R241 VanDerWaalsContact OD1-N 3.12Å; R241-G244 PolarHBondContact O-N 3.37Å; R241-Q245 WeakPolarHBondContact O-CB 3.45Å; R241-Q245 VanDerWaalsContact O-CG 3.25Å; R241-Q245 WeakPolarHBondContact O-CG 3.4Å; R241-Q245 PolarHBondContact O-N 3.08Å
242	K	72.4	Confident	70	Confident	141 Å²	141	114 Å²	114	61%	0.613	63%	0.631	S	S	*	*	H	α-helix	trans	-66	-39.3	177.7	-77.9	179.5	-173.2	170	0	112.5	D239 G244 Q245 A246	D239-K242 HydrophobicContact CB-CB 4.35Å; D239-K242 HydrophobicContact CB-CD 4.34Å; D239-K242 HydrophobicContact CB-CG 4.48Å; D239-K242 PolarHBondContact O-N 2.93Å; D239-K242 PolarHBondContact OD1-N 2.73Å; D239-K242 WeakPolarHBondContact OD2-CD 3.5Å; D239-K242 VanDerWaalsContact OD2-CE 3.23Å; D239-K242 WeakPolarHBondContact OD2-CE 3.22Å; D239-K242 VanDerWaalsContact OD2-CG 3.27Å; D239-K242 WeakPolarHBondContact OD2-CG 3.24Å; D239-K242 IonicContact OD2-NZ 3.03Å; K242-G244 VanDerWaalsContact C-N 3.35Å; K242-Q245 PolarHBondContact O-N 2.9Å; K242-A246 WeakPolarHBondContact O-CB 3.42Å; K242-A246 PolarHBondContact O-N 2.83Å
243	I	80	Confident	72.6	Confident	69 Å²	69	112.5 Å²	112.5	35%	0.354	62%	0.617	S	S	.	*	H	α-helix	trans	-67.2	-36.8	174.3	-164.5	172	0	0	0	111.8	D239 M240 R247	D239-I243 PolarHBondContact O-N 3.32Å; M240-I243 WeakPolarHBondContact O-CG2 3.35Å; M240-I243 HydrophobicContact SD-CG2 4.2Å; I243-R247 WeakPolarHBondContact O-CB 3.33Å; I243-R247 WeakPolarHBondContact O-CG 3.37Å; I243-R247 PolarHBondContact O-N 3.5Å
244	G	83.4	Confident	74.3	Confident	38 Å²	38	114.2 Å²	114.2	39%	0.392	61%	0.606	S	S	.	*	H	α-helix	trans	-66.4	-44.6	174.6	0	0	0	0	0	112.8	M240 R241 K242 R247 N248	M240-G244 PolarHBondContact O-N 3.14Å; R241-G244 PolarHBondContact O-N 3.37Å; K242-G244 VanDerWaalsContact C-N 3.35Å; G244-R247 PolarHBondContact O-N 3.19Å; G244-N248 VanDerWaalsContact O-CB 3.29Å; G244-N248 WeakPolarHBondContact O-CB 3.33Å; G244-N248 PolarHBondContact O-N 3.21Å
245	Q	86.1	Confident	76.8	Confident	125 Å²	125	115.4 Å²	115.4	58%	0.584	60%	0.595	S	S	*	*	H	α-helix	trans	-67.9	-40	176.9	-72	169.7	-8.3	0	0	112.1	R241 K242 N248 T249	R241-Q245 WeakPolarHBondContact O-CB 3.45Å; R241-Q245 VanDerWaalsContact O-CG 3.25Å; R241-Q245 WeakPolarHBondContact O-CG 3.4Å; R241-Q245 PolarHBondContact O-N 3.08Å; K242-Q245 PolarHBondContact O-N 2.9Å; Q245-N248 PolarHBondContact O-N 3.2Å; Q245-T249 WeakPolarHBondContact O-CB 3.32Å; Q245-T249 WeakPolarHBondContact O-CG2 3.39Å; Q245-T249 PolarHBondContact O-N 3.28Å; Q245-T249 PolarHBondContact O-OG1 3.24Å
246	A	83.5	Confident	78.5	Confident	58 Å²	58	110.9 Å²	110.9	48%	0.479	57%	0.569	S	S	.	*	H	α-helix	trans	-65.2	-39.1	175	0	0	0	0	0	111.8	K242 T249 L250	K242-A246 WeakPolarHBondContact O-CB 3.42Å; K242-A246 PolarHBondContact O-N 2.83Å; A246-T249 WeakPolarHBondContact CA-OG1 3.29Å; A246-T249 PolarHBondContact O-OG1 2.99Å; A246-L250 VanDerWaalsContact O-CB 3.25Å; A246-L250 WeakPolarHBondContact O-CB 3.18Å; A246-L250 PolarHBondContact O-N 3.33Å
247	R	85.3	Confident	80.2	Confident	179 Å²	179	112.6 Å²	112.6	68%	0.675	56%	0.556	S	S	*	*	H	α-helix	trans	-68.6	-39.3	172.6	-80.5	-178.5	163.4	160	-3	112.7	I243 G244 L250 M251	I243-R247 WeakPolarHBondContact O-CB 3.33Å; I243-R247 WeakPolarHBondContact O-CG 3.37Å; I243-R247 PolarHBondContact O-N 3.5Å; G244-R247 PolarHBondContact O-N 3.19Å; R247-L250 PolarHBondContact O-N 3.48Å; R247-M251 VanDerWaalsContact O-CB 3.31Å; R247-M251 WeakPolarHBondContact O-CB 3.35Å; R247-M251 PolarHBondContact O-N 2.93Å
248	N	88.4	Confident	81.9	Confident	110 Å²	110	107.8 Å²	107.8	59%	0.588	54%	0.54	S	S	*	.	H	α-helix	trans	-66.3	-43.6	178.7	-161.9	-1.3	0	0	0	111.1	G244 Q245 M251 D252	G244-N248 VanDerWaalsContact O-CB 3.29Å; G244-N248 WeakPolarHBondContact O-CB 3.33Å; G244-N248 PolarHBondContact O-N 3.21Å; Q245-N248 PolarHBondContact O-N 3.2Å; N248-M251 WeakPolarHBondContact O-CB 3.32Å; N248-M251 PolarHBondContact O-N 3.14Å; N248-D252 WeakPolarHBondContact O-CB 3.39Å; N248-D252 PolarHBondContact O-N 3.42Å
249	T	88.9	Confident	83	Confident	91 Å²	91	103.6 Å²	103.6	56%	0.558	52%	0.521	S	S	*	.	H	α-helix	trans	-67.3	-36.1	174.1	49.4	0	0	0	0	112.9	Q245 A246 M251 D252 M253	Q245-T249 WeakPolarHBondContact O-CB 3.32Å; Q245-T249 WeakPolarHBondContact O-CG2 3.39Å; Q245-T249 PolarHBondContact O-N 3.28Å; Q245-T249 PolarHBondContact O-OG1 3.24Å; A246-T249 WeakPolarHBondContact CA-OG1 3.29Å; A246-T249 PolarHBondContact O-OG1 2.99Å; T249-M251 VanDerWaalsContact C-N 3.35Å; T249-D252 PolarHBondContact O-N 2.73Å; T249-M253 VanDerWaalsContact O-CB 3.3Å; T249-M253 WeakPolarHBondContact O-CB 3.46Å; T249-M253 PolarHBondContact O-N 2.92Å
250	L	88.1	Confident	84	Confident	85 Å²	85	106.7 Å²	106.7	45%	0.445	54%	0.537	S	S	.	.	H	α-helix	trans	-65.3	-39.3	171.9	-179.2	64.4	0	0	0	111.7	A246 R247 M253 R254	A246-L250 VanDerWaalsContact O-CB 3.25Å; A246-L250 WeakPolarHBondContact O-CB 3.18Å; A246-L250 PolarHBondContact O-N 3.33Å; R247-L250 PolarHBondContact O-N 3.48Å; L250-M253 HydrophobicContact CD1-CE 3.77Å; L250-R254 WeakPolarHBondContact O-CG 3.26Å; L250-R254 PolarHBondContact O-N 2.9Å
251	M	88.3	Confident	84.5	Confident	115 Å²	115	105.1 Å²	105.1	57%	0.567	54%	0.54	S	S	*	.	H	α-helix	trans	-65.3	-46.3	174.4	179.5	172.5	172.9	0	0	110.9	R247 N248 T249 M253 R254 L255	R247-M251 VanDerWaalsContact O-CB 3.31Å; R247-M251 WeakPolarHBondContact O-CB 3.35Å; R247-M251 PolarHBondContact O-N 2.93Å; N248-M251 WeakPolarHBondContact O-CB 3.32Å; N248-M251 PolarHBondContact O-N 3.14Å; T249-M251 VanDerWaalsContact C-N 3.35Å; M251-M253 VanDerWaalsContact C-N 3.32Å; M251-M253 PolarHBondContact O-N 3.48Å; M251-R254 PolarHBondContact O-N 2.85Å; M251-R254 VanDerWaalsContact O-N 3.14Å; M251-L255 HydrophobicContact CE-CD1 4.11Å; M251-L255 HydrophobicContact CG-CD1 4.06Å; M251-L255 HydrophobicContact CG-CG 4.44Å; M251-L255 WeakPolarHBondContact O-CB 3.35Å; M251-L255 VanDerWaalsContact O-CG 3.3Å; M251-L255 WeakPolarHBondContact O-CG 3.45Å; M251-L255 PolarHBondContact O-N 3.24Å
252	D	89.7	Confident	84.9	Confident	105 Å²	105	99.5 Å²	99.5	56%	0.561	53%	0.527	S	S	*	.	H	α-helix	trans	-61.7	-39.3	177.1	-158	19.2	0	0	0	111.4	N248 T249 R254 L255 S256	N248-D252 WeakPolarHBondContact O-CB 3.39Å; N248-D252 PolarHBondContact O-N 3.42Å; T249-D252 PolarHBondContact O-N 2.73Å; D252-R254 PolarHBondContact O-N 2.89Å; D252-L255 CarbonylContact O-C 3.58Å; D252-L255 PolarHBondContact O-N 3.41Å; D252-S256 WeakPolarHBondContact O-CB 3.25Å; D252-S256 PolarHBondContact O-N 3.49Å; D252-S256 PolarHBondContact O-OG 3Å
253	M	89.2	Confident	85.1	Confident	90 Å²	90	98.3 Å²	98.3	44%	0.443	54%	0.536	S	S	.	.	H	α-helix	trans	-65.6	-37.5	173.6	-175.9	-115.8	-73.4	0	0	112.8	T249 L250 M251 S256 Q257	T249-M253 VanDerWaalsContact O-CB 3.3Å; T249-M253 WeakPolarHBondContact O-CB 3.46Å; T249-M253 PolarHBondContact O-N 2.92Å; L250-M253 HydrophobicContact CD1-CE 3.77Å; M251-M253 VanDerWaalsContact C-N 3.32Å; M251-M253 PolarHBondContact O-N 3.48Å; M253-S256 WeakPolarHBondContact CA-OG 3.47Å; M253-S256 PolarHBondContact O-OG 3.37Å; M253-Q257 WeakPolarHBondContact O-CG 3.4Å; M253-Q257 PolarHBondContact O-N 3.45Å
254	R	88	Confident	85.2	Confident	168 Å²	168	98.6 Å²	98.6	63%	0.634	56%	0.557	S	S	*	*	H	α-helix	trans	-70.6	-36.7	173.2	-75	-167.3	176	-159.1	-0.6	111.9	L250 M251 D252 V258	L250-R254 WeakPolarHBondContact O-CG 3.26Å; L250-R254 PolarHBondContact O-N 2.9Å; M251-R254 PolarHBondContact O-N 2.85Å; M251-R254 VanDerWaalsContact O-N 3.14Å; D252-R254 PolarHBondContact O-N 2.89Å; R254-V258 WeakPolarHBondContact O-CG2 3.36Å; R254-V258 PolarHBondContact O-N 3.32Å; R254-V258 VanDerWaalsContact O-N 3.14Å
255	L	87.3	Confident	85.1	Confident	97 Å²	97	102.1 Å²	102.1	51%	0.508	56%	0.563	S	S	.	*	H	α-helix	trans	-67.3	-39.9	175.4	-72	172.5	0	0	0	111.1	M251 D252 V258 S259	M251-L255 HydrophobicContact CE-CD1 4.11Å; M251-L255 HydrophobicContact CG-CD1 4.06Å; M251-L255 HydrophobicContact CG-CG 4.44Å; M251-L255 WeakPolarHBondContact O-CB 3.35Å; M251-L255 VanDerWaalsContact O-CG 3.3Å; M251-L255 WeakPolarHBondContact O-CG 3.45Å; M251-L255 PolarHBondContact O-N 3.24Å; D252-L255 CarbonylContact O-C 3.58Å; D252-L255 PolarHBondContact O-N 3.41Å; L255-V258 PolarHBondContact O-N 2.92Å; L255-S259 WeakPolarHBondContact O-CB 3.35Å; L255-S259 PolarHBondContact O-N 3.07Å
256	S	85.5	Confident	85	Confident	51 Å²	51	103 Å²	103	36%	0.357	58%	0.577	S	S	.	*	H	α-helix	trans	-67.4	-40.1	175.4	70.8	0	0	0	0	111.9	D252 M253 V258 S259 D260	D252-S256 WeakPolarHBondContact O-CB 3.25Å; D252-S256 PolarHBondContact O-N 3.49Å; D252-S256 PolarHBondContact O-OG 3Å; M253-S256 WeakPolarHBondContact CA-OG 3.47Å; M253-S256 PolarHBondContact O-OG 3.37Å; S256-V258 VanDerWaalsContact C-N 3.29Å; S256-V258 PolarHBondContact O-N 3.45Å; S256-S259 CarbonylContact O-C 3.6Å; S256-S259 WeakPolarHBondContact O-CB 3.34Å; S256-S259 PolarHBondContact O-N 3.49Å; S256-S259 VanDerWaalsContact O-N 3.1Å; S256-D260 WeakPolarHBondContact O-CB 3.28Å; S256-D260 PolarHBondContact O-N 3.25Å
257	Q	85.9	Confident	85.3	Confident	116 Å²	116	106.7 Å²	106.7	54%	0.542	59%	0.593	S	S	.	*	H	α-helix	trans	-59.3	-38.8	173	-79.3	178.4	-15.2	0	0	113	M253 S261	M253-Q257 WeakPolarHBondContact O-CG 3.4Å; M253-Q257 PolarHBondContact O-N 3.45Å; Q257-S261 PolarHBondContact O-OG 3.48Å; Q257-S261 VanDerWaalsContact O-OG 3.14Å
258	V	84.6	Confident	85.4	Confident	96 Å²	96	102.5 Å²	102.5	58%	0.582	59%	0.587	S	S	*	*	H	α-helix	trans	-71.9	-41.4	173.3	176.5	0	0	0	0	110.4	R254 L255 S256 D260 S261 V262	R254-V258 WeakPolarHBondContact O-CG2 3.36Å; R254-V258 PolarHBondContact O-N 3.32Å; R254-V258 VanDerWaalsContact O-N 3.14Å; L255-V258 PolarHBondContact O-N 2.92Å; S256-V258 VanDerWaalsContact C-N 3.29Å; S256-V258 PolarHBondContact O-N 3.45Å; V258-D260 PolarHBondContact O-N 3.21Å; V258-S261 WeakPolarHBondContact O-CB 2.85Å; V258-S261 PolarHBondContact O-N 3.26Å; V258-S261 VanDerWaalsContact O-N 3.12Å; V258-V262 WeakPolarHBondContact O-CG2 3.35Å; V258-V262 PolarHBondContact O-N 2.88Å
259	S	82.4	Confident	85.6	Confident	38 Å²	38	101.9 Å²	101.9	27%	0.266	58%	0.584	S	S	.	*	H	α-helix	trans	-61.8	-40.1	178.9	-165.1	0	0	0	0	112.7	L255 S256 S261 V262 Q265	L255-S259 WeakPolarHBondContact O-CB 3.35Å; L255-S259 PolarHBondContact O-N 3.07Å; S256-S259 CarbonylContact O-C 3.6Å; S256-S259 WeakPolarHBondContact O-CB 3.34Å; S256-S259 PolarHBondContact O-N 3.49Å; S256-S259 VanDerWaalsContact O-N 3.1Å; S259-S261 PolarHBondContact O-N 3.13Å; S259-V262 WeakPolarHBondContact O-CB 3.49Å; S259-V262 PolarHBondContact O-N 3.36Å; S259-Q265 PolarHBondContact OG-NE2 3.02Å; S259-Q265 PolarHBondContact OG-OE1 2.91Å
260	D	81.8	Confident	85.7	Confident	138 Å²	138	101.8 Å²	101.8	74%	0.738	59%	0.585	S	S	*	*	H	α-helix	trans	-64	-25.5	176.9	-70.1	-15.1	0	0	0	111.8	S256 V258	S256-D260 WeakPolarHBondContact O-CB 3.28Å; S256-D260 PolarHBondContact O-N 3.25Å; V258-D260 PolarHBondContact O-N 3.21Å
261	S	82.3	Confident	85.8	Confident	101 Å²	101	105.1 Å²	105.1	71%	0.706	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-13.2	174.8	-53.2	0	0	0	0	112.8	Q257 V258 S259 S263	Q257-S261 PolarHBondContact O-OG 3.48Å; Q257-S261 VanDerWaalsContact O-OG 3.14Å; V258-S261 WeakPolarHBondContact O-CB 2.85Å; V258-S261 PolarHBondContact O-N 3.26Å; V258-S261 VanDerWaalsContact O-N 3.12Å; S259-S261 PolarHBondContact O-N 3.13Å; S261-S263 PolarHBondContact O-N 3.39Å
262	V	82.2	Confident	86	Confident	78 Å²	78	100.8 Å²	100.8	47%	0.473	58%	0.581	S	S	.	*			trans	-90.3	89.3	177	-179.5	0	0	0	0	109.2	V258 S259 Q265	V258-V262 WeakPolarHBondContact O-CG2 3.35Å; V258-V262 PolarHBondContact O-N 2.88Å; S259-V262 WeakPolarHBondContact O-CB 3.49Å; S259-V262 PolarHBondContact O-N 3.36Å; V262-Q265 HydrophobicContact CG1-CG 4.11Å
263	S	75.6	Confident	86.2	Confident	116 Å²	116	101.9 Å²	101.9	81%	0.811	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	141.4	171.4	63.3	0	0	0	0	111.5	S261	S261-S263 PolarHBondContact O-N 3.39Å
264	G	83	Confident	86.3	Confident	76 Å²	76	102.4 Å²	102.4	78%	0.784	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	101	8.9	177.4	0	0	0	0	0	115.1	T266	G264-T266 PolarHBondContact O-N 3.43Å
265	Q	80.9	Confident	86.5	Confident	112 Å²	112	97.9 Å²	97.9	52%	0.523	57%	0.573	S	S	.	*			trans	-68.2	121.8	168.3	-65.5	-178.2	-11.4	0	0	110.1	S259 V262	S259-Q265 PolarHBondContact OG-NE2 3.02Å; S259-Q265 PolarHBondContact OG-OE1 2.91Å; V262-Q265 HydrophobicContact CG1-CG 4.11Å
266	T	85.3	Confident	86.7	Confident	144 Å²	144	98.2 Å²	98.2	88%	0.883	58%	0.575	S	S	*	*			trans	-89.6	109.2	178.3	64.4	0	0	0	0	109.7	G264	G264-T266 PolarHBondContact O-N 3.43Å
267	V	87.9	Confident	87	Confident	135 Å²	135	99.1 Å²	99.1	82%	0.818	58%	0.576	S	S	*	*			trans	-115.6	120.8	166.7	61.1	0	0	0	0	108
268	V	88.8	Confident	87.2	Confident	90 Å²	90	98.9 Å²	98.9	55%	0.545	58%	0.578	S	S	.	*			trans	-82.1	141.4	172.4	68.2	0	0	0	0	108.8	P270 Y273	V268-P270 WeakPolarHBondContact O-CD 3.38Å; V268-P270 VanDerWaalsContact O-N 3.14Å; V268-Y273 HydrophobicContact CG2-CD2 3.75Å; V268-Y273 HydrophobicContact CG2-CG 4.18Å
269	D	91.6	Very high	87.3	Confident	97 Å²	97	98.8 Å²	98.8	52%	0.519	58%	0.582	S	S	.	*			trans	-65.2	111.2	168.9	172.9	21.4	0	0	0	108.6	K271 G272 Y273	D269-K271 PolarHBondContact O-N 3.18Å; D269-K271 VanDerWaalsContact O-N 3.16Å; D269-K271 WeakPolarHBondContact OD1-CB 3.38Å; D269-K271 PolarHBondContact OD1-N 3.49Å; D269-G272 PolarHBondContact O-N 3.44Å; D269-G272 PolarHBondContact OD2-N 2.89Å; D269-Y273 WeakPolarHBondContact O-CB 3.42Å; D269-Y273 PolarHBondContact O-N 3.08Å
270	P	91.4	Very high	87.4	Confident	89 Å²	89	103.5 Å²	103.5	58%	0.578	60%	0.601	S	S	*	*	H	α-helix	trans	-61	-27.9	-178.3	26.2	-34.9	0	0	0	111.6	V268 L274	V268-P270 WeakPolarHBondContact O-CD 3.38Å; V268-P270 VanDerWaalsContact O-N 3.14Å; P270-L274 VanDerWaalsContact O-CB 3.29Å; P270-L274 WeakPolarHBondContact O-CB 3.46Å; P270-L274 WeakPolarHBondContact O-CD1 3.38Å; P270-L274 WeakPolarHBondContact O-CG 3.48Å; P270-L274 PolarHBondContact O-N 3.32Å
271	K	90.5	Very high	87.5	Confident	156 Å²	156	102.3 Å²	102.3	68%	0.678	59%	0.594	S	S	*	*	H	α-helix	trans	-73.8	-47.9	178.2	-173.3	-172.7	174.8	-171.2	0	111.3	D269 Y273 L274 T275	D269-K271 PolarHBondContact O-N 3.18Å; D269-K271 VanDerWaalsContact O-N 3.16Å; D269-K271 WeakPolarHBondContact OD1-CB 3.38Å; D269-K271 PolarHBondContact OD1-N 3.49Å; K271-Y273 VanDerWaalsContact C-N 3.34Å; K271-L274 PolarHBondContact O-N 3.34Å; K271-T275 WeakPolarHBondContact O-CB 3.27Å; K271-T275 PolarHBondContact O-N 2.89Å; K271-T275 PolarHBondContact O-OG1 3.47Å
272	G	92.3	Very high	87.2	Confident	24 Å²	24	101.8 Å²	101.8	25%	0.247	59%	0.588	C	S	.	*	H	α-helix	trans	-55.8	-49.9	172.4	0	0	0	0	0	111.2	D269 L274 T275 D276	D269-G272 PolarHBondContact O-N 3.44Å; D269-G272 PolarHBondContact OD2-N 2.89Å; G272-L274 PolarHBondContact O-N 3.41Å; G272-T275 WeakPolarHBondContact O-CA 3.07Å; G272-T275 WeakPolarHBondContact O-CB 3.36Å; G272-T275 PolarHBondContact O-N 3.36Å; G272-D276 PolarHBondContact O-N 3.21Å
273	Y	93.1	Very high	86.9	Confident	127 Å²	127	105.2 Å²	105.2	50%	0.498	61%	0.609	S	S	.	*	H	α-helix	trans	-61.8	-42.7	-180	-161	-97.2	0	0	0	113.1	V268 D269 K271 T275 D276 L277	V268-Y273 HydrophobicContact CG2-CD2 3.75Å; V268-Y273 HydrophobicContact CG2-CG 4.18Å; D269-Y273 WeakPolarHBondContact O-CB 3.42Å; D269-Y273 PolarHBondContact O-N 3.08Å; K271-Y273 VanDerWaalsContact C-N 3.34Å; Y273-T275 VanDerWaalsContact C-N 3.3Å; Y273-T275 PolarHBondContact O-N 2.88Å; Y273-D276 PolarHBondContact O-N 3.23Å; Y273-L277 HydrophobicContact CD1-CD1 3.76Å; Y273-L277 HydrophobicContact CD1-CG 4.03Å; Y273-L277 HydrophobicContact CE1-CD1 3.71Å; Y273-L277 HydrophobicContact CE1-CD2 4.23Å; Y273-L277 HydrophobicContact CE1-CG 3.96Å; Y273-L277 WeakPolarHBondContact O-CB 3.29Å; Y273-L277 VanDerWaalsContact O-CG 3.31Å; Y273-L277 WeakPolarHBondContact O-CG 3.41Å; Y273-L277 PolarHBondContact O-N 3Å
274	L	92.1	Very high	86.7	Confident	102 Å²	102	106.8 Å²	106.8	53%	0.534	60%	0.604	S	S	.	*	H	α-helix	trans	-66.6	-32.1	174.5	-73	171.8	0	0	0	112.4	P270 K271 G272 L277 N278	P270-L274 VanDerWaalsContact O-CB 3.29Å; P270-L274 WeakPolarHBondContact O-CB 3.46Å; P270-L274 WeakPolarHBondContact O-CD1 3.38Å; P270-L274 WeakPolarHBondContact O-CG 3.48Å; P270-L274 PolarHBondContact O-N 3.32Å; K271-L274 PolarHBondContact O-N 3.34Å; G272-L274 PolarHBondContact O-N 3.41Å; L274-L277 HydrophobicContact CD2-CD1 4.27Å; L274-N278 WeakPolarHBondContact O-CB 3.29Å; L274-N278 VanDerWaalsContact O-CG 3.22Å; L274-N278 PolarHBondContact O-N 3.41Å; L274-N278 PolarHBondContact O-ND2 3.32Å; L274-N278 VanDerWaalsContact O-ND2 3.08Å
275	T	92.6	Very high	85.8	Confident	72 Å²	72	104.6 Å²	104.6	44%	0.442	58%	0.581	S	S	.	*	H	α-helix	trans	-68	-40.8	175.1	-54.9	0	0	0	0	110.7	K271 G272 Y273 N278 S279	K271-T275 WeakPolarHBondContact O-CB 3.27Å; K271-T275 PolarHBondContact O-N 2.89Å; K271-T275 PolarHBondContact O-OG1 3.47Å; G272-T275 WeakPolarHBondContact O-CA 3.07Å; G272-T275 WeakPolarHBondContact O-CB 3.36Å; G272-T275 PolarHBondContact O-N 3.36Å; Y273-T275 VanDerWaalsContact C-N 3.3Å; Y273-T275 PolarHBondContact O-N 2.88Å; T275-N278 PolarHBondContact O-N 3.04Å; T275-S279 WeakPolarHBondContact O-CB 3.23Å; T275-S279 PolarHBondContact O-N 3.42Å; T275-S279 PolarHBondContact O-OG 3.38Å
276	D	92.1	Very high	85.5	Confident	104 Å²	104	102 Å²	102	56%	0.556	58%	0.584	S	S	*	*	H	α-helix	trans	-68.2	-40.6	175.9	-64.4	-22.2	0	0	0	111.2	G272 Y273 N278 S279 M280	G272-D276 PolarHBondContact O-N 3.21Å; Y273-D276 PolarHBondContact O-N 3.23Å; D276-N278 VanDerWaalsContact C-N 3.32Å; D276-N278 PolarHBondContact O-N 2.84Å; D276-S279 WeakPolarHBondContact O-CA 3.44Å; D276-S279 WeakPolarHBondContact O-CB 3.18Å; D276-S279 PolarHBondContact O-N 3.19Å; D276-M280 WeakPolarHBondContact O-CG 3.49Å; D276-M280 PolarHBondContact O-N 3.16Å
277	L	90.7	Very high	85.4	Confident	70 Å²	70	99.7 Å²	99.7	37%	0.366	57%	0.566	S	S	.	*	H	α-helix	trans	-60.5	-39.5	172.5	-75.1	-179.2	0	0	0	112.4	Y273 L274 S279 M280	Y273-L277 HydrophobicContact CD1-CD1 3.76Å; Y273-L277 HydrophobicContact CD1-CG 4.03Å; Y273-L277 HydrophobicContact CE1-CD1 3.71Å; Y273-L277 HydrophobicContact CE1-CD2 4.23Å; Y273-L277 HydrophobicContact CE1-CG 3.96Å; Y273-L277 WeakPolarHBondContact O-CB 3.29Å; Y273-L277 VanDerWaalsContact O-CG 3.31Å; Y273-L277 WeakPolarHBondContact O-CG 3.41Å; Y273-L277 PolarHBondContact O-N 3Å; L274-L277 HydrophobicContact CD2-CD1 4.27Å; L277-S279 VanDerWaalsContact C-N 3.31Å; L277-M280 HydrophobicContact CD2-SD 3.56Å; L277-M280 VanDerWaalsContact CD2-SD 3.56Å; L277-M280 WeakPolarHBondContact O-CG 3.29Å
278	N	89.4	Confident	85.1	Confident	111 Å²	111	98.6 Å²	98.6	59%	0.594	55%	0.554	S	S	*	*	H	α-helix	trans	-70.2	-29.8	173.3	-72	-33.3	0	0	0	112.1	L274 T275 D276 I281	L274-N278 WeakPolarHBondContact O-CB 3.29Å; L274-N278 VanDerWaalsContact O-CG 3.22Å; L274-N278 PolarHBondContact O-N 3.41Å; L274-N278 PolarHBondContact O-ND2 3.32Å; L274-N278 VanDerWaalsContact O-ND2 3.08Å; T275-N278 PolarHBondContact O-N 3.04Å; D276-N278 VanDerWaalsContact C-N 3.32Å; D276-N278 PolarHBondContact O-N 2.84Å; N278-I281 WeakPolarHBondContact O-CG2 3.4Å; N278-I281 PolarHBondContact O-N 2.92Å
279	S	88.1	Confident	85	Confident	94 Å²	94	99.6 Å²	99.6	66%	0.657	56%	0.557	S	S	*	*	H	α-helix	trans	-74.6	-27.7	178.5	-58.1	0	0	0	0	112.6	T275 D276 L277 I281	T275-S279 WeakPolarHBondContact O-CB 3.23Å; T275-S279 PolarHBondContact O-N 3.42Å; T275-S279 PolarHBondContact O-OG 3.38Å; D276-S279 WeakPolarHBondContact O-CA 3.44Å; D276-S279 WeakPolarHBondContact O-CB 3.18Å; D276-S279 PolarHBondContact O-N 3.19Å; L277-S279 VanDerWaalsContact C-N 3.31Å; S279-I281 VanDerWaalsContact C-N 3.33Å
280	M	84.5	Confident	84.9	Confident	137 Å²	137	99.6 Å²	99.6	68%	0.675	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	0.2	174.7	64.3	175	-83.3	0	0	114.2	D276 L277 P282	D276-M280 WeakPolarHBondContact O-CG 3.49Å; D276-M280 PolarHBondContact O-N 3.16Å; L277-M280 HydrophobicContact CD2-SD 3.56Å; L277-M280 VanDerWaalsContact CD2-SD 3.56Å; L277-M280 WeakPolarHBondContact O-CG 3.29Å; M280-P282 WeakPolarHBondContact O-CD 3.26Å
281	I	82.8	Confident	84.7	Confident	114 Å²	114	96.2 Å²	96.2	59%	0.585	53%	0.534	S	S	*	.	S	Bend	trans	-68	122.1	178.9	-155	165.8	0	0	0	109.3	N278 S279 T283	N278-I281 WeakPolarHBondContact O-CG2 3.4Å; N278-I281 PolarHBondContact O-N 2.92Å; S279-I281 VanDerWaalsContact C-N 3.33Å; I281-T283 PolarHBondContact O-N 3.13Å; I281-T283 VanDerWaalsContact O-N 3.07Å
282	P	76.4	Confident	84.6	Confident	90 Å²	90	94.7 Å²	94.7	58%	0.584	53%	0.527	S	S	*	.			trans	-69.1	112.8	-178.9	26.5	-32.5	0	0	0	109.3	M280 H284 G285	M280-P282 WeakPolarHBondContact O-CD 3.26Å; P282-H284 PolarHBondContact O-N 3.21Å; P282-H284 VanDerWaalsContact O-N 3.11Å; P282-G285 PolarHBondContact O-N 3.28Å
283	T	75.4	Confident	84.5	Confident	150 Å²	150	100.6 Å²	100.6	92%	0.92	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.2	174.9	-41.6	0	0	0	0	112.1	I281	I281-T283 PolarHBondContact O-N 3.13Å; I281-T283 VanDerWaalsContact O-N 3.07Å
284	H	71.3	Confident	84.4	Confident	149 Å²	149	96 Å²	96	69%	0.69	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.7	56.1	178.7	-165.2	-76.6	0	0	0	112	P282	P282-H284 PolarHBondContact O-N 3.21Å; P282-H284 VanDerWaalsContact O-N 3.11Å
285	G	64.8	Low	84.2	Confident	30 Å²	30	93.7 Å²	93.7	31%	0.309	52%	0.519	S	S	.	.			trans	-81.4	-13.6	179	0	0	0	0	0	116	P282	P282-G285 PolarHBondContact O-N 3.28Å
286	G	73.9	Confident	84.2	Confident	56 Å²	56	96 Å²	96	58%	0.577	53%	0.528	S	S	*	.			trans	63	171.3	-171.3	0	0	0	0	0	113.5	I288	G286-I288 PolarHBondContact O-N 3.17Å
287	D	83.3	Confident	84.2	Confident	97 Å²	97	96.1 Å²	96.1	52%	0.519	53%	0.528	S	S	.	.			trans	-74.4	122.1	170.9	-173.2	-36	0	0	0	109.3	N289 D290 I291	D287-N289 PolarHBondContact O-N 3.15Å; D287-N289 VanDerWaalsContact O-N 3.11Å; D287-N289 PolarHBondContact OD1-N 3.08Å; D287-D290 HydrophobicContact CB-CB 4.22Å; D287-D290 PolarHBondContact O-N 3.12Å; D287-I291 WeakPolarHBondContact O-CB 3.28Å; D287-I291 WeakPolarHBondContact O-CG1 3.48Å; D287-I291 PolarHBondContact O-N 3.14Å
288	I	82	Confident	84.3	Confident	111 Å²	111	94.3 Å²	94.3	57%	0.569	52%	0.518	S	S	*	.	H	α-helix	trans	-55.2	-32.1	-177.6	-170.8	61.5	0	0	0	113.2	G286 K292	G286-I288 PolarHBondContact O-N 3.17Å; I288-K292 VanDerWaalsContact O-CG 3.27Å; I288-K292 WeakPolarHBondContact O-CG 3.44Å; I288-K292 PolarHBondContact O-N 3.25Å; I288-K292 VanDerWaalsContact O-N 3.11Å
289	N	87.3	Confident	84.4	Confident	111 Å²	111	93.4 Å²	93.4	59%	0.594	51%	0.509	S	S	*	.	H	α-helix	trans	-76.9	-45.9	-179.2	-164.9	20.8	0	0	0	111.2	D287 I291 K292 K293	D287-N289 PolarHBondContact O-N 3.15Å; D287-N289 VanDerWaalsContact O-N 3.11Å; D287-N289 PolarHBondContact OD1-N 3.08Å; N289-I291 VanDerWaalsContact C-N 3.3Å; N289-I291 PolarHBondContact O-N 3.48Å; N289-K292 WeakPolarHBondContact O-CB 3.34Å; N289-K292 PolarHBondContact O-N 3.43Å; N289-K292 VanDerWaalsContact O-N 3.09Å; N289-K293 PolarHBondContact O-N 3.25Å
290	D	88.6	Confident	84.7	Confident	98 Å²	98	91.3 Å²	91.3	52%	0.524	49%	0.494	S	S	.	.	H	α-helix	trans	-65.7	-35.9	175.7	-73	-26.2	0	0	0	111.7	D287 K292 K293 A294	D287-D290 HydrophobicContact CB-CB 4.22Å; D287-D290 PolarHBondContact O-N 3.12Å; D290-K292 VanDerWaalsContact C-N 3.33Å; D290-K292 PolarHBondContact O-N 2.95Å; D290-K293 PolarHBondContact O-N 3.28Å; D290-A294 VanDerWaalsContact O-CB 3.22Å; D290-A294 WeakPolarHBondContact O-CB 3.36Å; D290-A294 PolarHBondContact O-N 3.34Å
291	I	87.5	Confident	85	Confident	18 Å²	18	86.8 Å²	86.8	9%	0.092	48%	0.475	C	S	.	.	H	α-helix	trans	-59.8	-42.9	170.5	-73.7	-60.5	0	0	0	111.2	D287 N289 R295 L318 T322	D287-I291 WeakPolarHBondContact O-CB 3.28Å; D287-I291 WeakPolarHBondContact O-CG1 3.48Å; D287-I291 PolarHBondContact O-N 3.14Å; N289-I291 VanDerWaalsContact C-N 3.3Å; N289-I291 PolarHBondContact O-N 3.48Å; I291-R295 WeakPolarHBondContact O-CB 3.48Å; I291-R295 PolarHBondContact O-N 3.47Å; I291-L318 HydrophobicContact CD1-CD1 3.6Å; I291-T322 HydrophobicContact CB-CG2 4.31Å; I291-T322 HydrophobicContact CD1-CG2 3.86Å; I291-T322 HydrophobicContact CG1-CG2 4.1Å; I291-T322 HydrophobicContact CG2-CG2 3.28Å
292	K	88.3	Confident	85.4	Confident	123 Å²	123	83.2 Å²	83.2	54%	0.535	45%	0.454	S	S	.	.	H	α-helix	trans	-66.1	-41	176.5	-76.9	171.9	-179	178.7	0	111.4	I288 N289 D290 R295 L296	I288-K292 VanDerWaalsContact O-CG 3.27Å; I288-K292 WeakPolarHBondContact O-CG 3.44Å; I288-K292 PolarHBondContact O-N 3.25Å; I288-K292 VanDerWaalsContact O-N 3.11Å; N289-K292 WeakPolarHBondContact O-CB 3.34Å; N289-K292 PolarHBondContact O-N 3.43Å; N289-K292 VanDerWaalsContact O-N 3.09Å; D290-K292 VanDerWaalsContact C-N 3.33Å; D290-K292 PolarHBondContact O-N 2.95Å; K292-R295 WeakPolarHBondContact O-CB 3.42Å; K292-R295 PolarHBondContact O-N 3.28Å; K292-L296 PolarHBondContact O-N 3.06Å
293	K	91.3	Very high	86.1	Confident	149 Å²	149	84.6 Å²	84.6	65%	0.648	45%	0.452	S	S	*	.	H	α-helix	trans	-64	-45.6	175.3	-175.1	-179.3	177	-175.9	0	111.6	N289 D290 R295 L296 L297	N289-K293 PolarHBondContact O-N 3.25Å; D290-K293 PolarHBondContact O-N 3.28Å; K293-R295 VanDerWaalsContact C-N 3.33Å; K293-R295 PolarHBondContact O-N 3.15Å; K293-L296 PolarHBondContact O-N 3.34Å; K293-L297 WeakPolarHBondContact O-CB 3.31Å; K293-L297 PolarHBondContact O-N 3.15Å
294	A	89.2	Confident	86.9	Confident	31 Å²	31	82 Å²	82	26%	0.256	44%	0.437	S	S	.	.	H	α-helix	trans	-63.2	-38.9	174.9	0	0	0	0	0	111.3	D290 L296 L297 L298 L318	D290-A294 VanDerWaalsContact O-CB 3.22Å; D290-A294 WeakPolarHBondContact O-CB 3.36Å; D290-A294 PolarHBondContact O-N 3.34Å; A294-L296 VanDerWaalsContact C-N 3.34Å; A294-L296 PolarHBondContact O-N 3.3Å; A294-L297 PolarHBondContact O-N 2.93Å; A294-L298 WeakPolarHBondContact O-CB 3.06Å; A294-L298 VanDerWaalsContact O-CG 3.27Å; A294-L298 WeakPolarHBondContact O-CG 3.06Å; A294-L298 PolarHBondContact O-N 3.37Å; A294-L318 HydrophobicContact CB-CD1 4.25Å; A294-L318 HydrophobicContact CB-CD2 3.74Å
295	R	89.7	Confident	87.7	Confident	52 Å²	52	79 Å²	79	20%	0.196	43%	0.426	C	S	.	.	H	α-helix	trans	-61.9	-42.6	174.4	-179.5	-176	-75.4	122	0.6	111.2	I291 K292 K293 K299 L318 E319 T322	I291-R295 WeakPolarHBondContact O-CB 3.48Å; I291-R295 PolarHBondContact O-N 3.47Å; K292-R295 WeakPolarHBondContact O-CB 3.42Å; K292-R295 PolarHBondContact O-N 3.28Å; K293-R295 VanDerWaalsContact C-N 3.33Å; K293-R295 PolarHBondContact O-N 3.15Å; R295-K299 WeakPolarHBondContact O-CB 3.33Å; R295-K299 PolarHBondContact O-N 2.98Å; R295-L318 HydrophobicContact CB-CD2 4.07Å; R295-E319 WeakPolarHBondContact CD-OE1 3.4Å; R295-E319 WeakPolarHBondContact CG-OE1 3.36Å; R295-E319 IonicContact CZ-OE1 3.34Å; R295-E319 IonicContact CZ-OE2 2.63Å; R295-E319 IonicContact NE-OE1 3.36Å; R295-E319 PolarHBondContact NE-OE1 3.22Å; R295-E319 IonicContact NE-OE2 3.29Å; R295-E319 PolarHBondContact NE-OE2 3.05Å; R295-E319 IonicContact NH2-OE1 3.93Å; R295-E319 IonicContact NH2-OE2 3.36Å; R295-E319 PolarHBondContact NH2-OE2 3.34Å; R295-T322 PolarHBondContact NH2-OG1 2.77Å
296	L	92.3	Very high	89	Confident	121 Å²	121	79.6 Å²	79.6	63%	0.634	42%	0.424	S	S	*	.	H	α-helix	trans	-66.5	-44	176.2	-178.1	61.8	0	0	0	111.6	K292 K293 A294 K299 S300	K292-L296 PolarHBondContact O-N 3.06Å; K293-L296 PolarHBondContact O-N 3.34Å; A294-L296 VanDerWaalsContact C-N 3.34Å; A294-L296 PolarHBondContact O-N 3.3Å; L296-K299 WeakPolarHBondContact O-CB 3.22Å; L296-K299 PolarHBondContact O-N 3.42Å; L296-S300 PolarHBondContact O-N 2.91Å
297	L	92	Very high	89.7	Confident	106 Å²	106	84 Å²	84	56%	0.555	43%	0.429	S	S	*	.	H	α-helix	trans	-61.4	-48.9	176.4	177.5	65.3	0	0	0	111.6	K293 A294 K299 S300 V301	K293-L297 WeakPolarHBondContact O-CB 3.31Å; K293-L297 PolarHBondContact O-N 3.15Å; A294-L297 PolarHBondContact O-N 2.93Å; L297-K299 VanDerWaalsContact C-N 3.26Å; L297-K299 PolarHBondContact O-N 3.15Å; L297-S300 PolarHBondContact O-N 3.16Å; L297-S300 PolarHBondContact O-OG 3.24Å; L297-V301 HydrophobicContact CD1-CG2 4.33Å; L297-V301 HydrophobicContact CG-CG2 4.46Å; L297-V301 WeakPolarHBondContact O-CB 3.18Å; L297-V301 WeakPolarHBondContact O-CG2 3.18Å; L297-V301 PolarHBondContact O-N 3.37Å
298	L	91.9	Very high	90.1	Very high	33 Å²	33	83.4 Å²	83.4	17%	0.173	42%	0.423	C	S	.	.	H	α-helix	trans	-70.1	-27.9	-179.9	-66.8	179.6	0	0	0	111.9	A294 R302 A314 S315 L318	A294-L298 WeakPolarHBondContact O-CB 3.06Å; A294-L298 VanDerWaalsContact O-CG 3.27Å; A294-L298 WeakPolarHBondContact O-CG 3.06Å; A294-L298 PolarHBondContact O-N 3.37Å; L298-R302 WeakPolarHBondContact O-CG 3.25Å; L298-R302 PolarHBondContact O-N 3.1Å; L298-A314 HydrophobicContact CD1-CB 4.12Å; L298-A314 WeakPolarHBondContact CD1-O 3.11Å; L298-A314 HydrophobicContact CD2-CB 3.9Å; L298-S315 WeakPolarHBondContact CB-OG 3.32Å; L298-S315 PolarHBondContact O-OG 2.79Å; L298-L318 HydrophobicContact CD1-CB 3.9Å; L298-L318 HydrophobicContact CD1-CD2 3.68Å; L298-L318 HydrophobicContact CD1-CG 4.35Å
299	K	92.9	Very high	90.4	Very high	91 Å²	91	79.8 Å²	79.8	40%	0.396	41%	0.407	S	S	.	.	H	α-helix	trans	-63.2	-49.7	168.5	179.5	179	176.6	-172.5	0	111.3	R295 L296 L297 V301 R302 E303	R295-K299 WeakPolarHBondContact O-CB 3.33Å; R295-K299 PolarHBondContact O-N 2.98Å; L296-K299 WeakPolarHBondContact O-CB 3.22Å; L296-K299 PolarHBondContact O-N 3.42Å; L297-K299 VanDerWaalsContact C-N 3.26Å; L297-K299 PolarHBondContact O-N 3.15Å; K299-V301 VanDerWaalsContact C-N 3.33Å; K299-V301 PolarHBondContact O-N 3.27Å; K299-R302 WeakPolarHBondContact O-CG 3.28Å; K299-R302 PolarHBondContact O-N 3.43Å; K299-E303 WeakPolarHBondContact CE-OE1 3.38Å; K299-E303 HydrophobicContact CG-CG 4.49Å; K299-E303 WeakPolarHBondContact CG-OE1 3.11Å; K299-E303 IonicContact NZ-OE1 3.68Å; K299-E303 WeakPolarHBondContact O-CB 3.16Å; K299-E303 VanDerWaalsContact O-CG 3.28Å; K299-E303 WeakPolarHBondContact O-CG 3.34Å; K299-E303 PolarHBondContact O-N 3.19Å
300	S	93.1	Very high	90.7	Very high	50 Å²	50	77.7 Å²	77.7	35%	0.35	40%	0.399	S	S	.	.	H	α-helix	trans	-64	-39.8	177.3	63.1	0	0	0	0	111.6	L296 L297 R302 E303 T304	L296-S300 PolarHBondContact O-N 2.91Å; L297-S300 PolarHBondContact O-N 3.16Å; L297-S300 PolarHBondContact O-OG 3.24Å; S300-R302 PolarHBondContact O-N 2.97Å; S300-E303 PolarHBondContact O-N 3.23Å; S300-T304 WeakPolarHBondContact O-CB 3.16Å; S300-T304 VanDerWaalsContact O-CG2 3.28Å; S300-T304 WeakPolarHBondContact O-CG2 3.3Å; S300-T304 PolarHBondContact O-N 3.39Å; S300-T304 PolarHBondContact O-OG1 2.83Å
301	V	92.3	Very high	90.8	Very high	43 Å²	43	73.1 Å²	73.1	26%	0.261	38%	0.375	S	S	.	.	H	α-helix	trans	-63.1	-41.3	179.2	172.1	0	0	0	0	112.8	L297 K299 T304 N305 A311	L297-V301 HydrophobicContact CD1-CG2 4.33Å; L297-V301 HydrophobicContact CG-CG2 4.46Å; L297-V301 WeakPolarHBondContact O-CB 3.18Å; L297-V301 WeakPolarHBondContact O-CG2 3.18Å; L297-V301 PolarHBondContact O-N 3.37Å; K299-V301 VanDerWaalsContact C-N 3.33Å; K299-V301 PolarHBondContact O-N 3.27Å; V301-T304 PolarHBondContact O-OG1 3.32Å; V301-N305 WeakPolarHBondContact O-CB 3.41Å; V301-N305 PolarHBondContact O-N 2.89Å; V301-A311 HydrophobicContact CG1-CB 3.8Å
302	R	90.2	Very high	91.1	Very high	38 Å²	38	73.1 Å²	73.1	14%	0.143	37%	0.374	C	S	.	.	H	α-helix	trans	-76.8	-27.6	177.6	73.5	178.5	175.4	-106.1	4	113.2	L298 K299 S300 N305 P306 A311 W312 S315	L298-R302 WeakPolarHBondContact O-CG 3.25Å; L298-R302 PolarHBondContact O-N 3.1Å; K299-R302 WeakPolarHBondContact O-CG 3.28Å; K299-R302 PolarHBondContact O-N 3.43Å; S300-R302 PolarHBondContact O-N 2.97Å; R302-N305 CarbonylContact O-C 3.57Å; R302-P306 WeakPolarHBondContact O-CA 3.26Å; R302-A311 HydrophobicContact CB-CB 4.15Å; R302-W312 HydrophobicContact CB-CD2 4.41Å; R302-W312 HydrophobicContact CB-CZ2 4.37Å; R302-S315 PolarHBondContact NH1-OG 2.83Å
303	E	90.4	Very high	91.3	Very high	119 Å²	119	68 Å²	68	56%	0.556	35%	0.352	S	S	*	.	H	α-helix	trans	-75.5	-38.7	176.7	-75.4	172.6	-179.6	0	0	111.2	K299 S300	K299-E303 WeakPolarHBondContact CE-OE1 3.38Å; K299-E303 HydrophobicContact CG-CG 4.49Å; K299-E303 WeakPolarHBondContact CG-OE1 3.11Å; K299-E303 IonicContact NZ-OE1 3.68Å; K299-E303 WeakPolarHBondContact O-CB 3.16Å; K299-E303 VanDerWaalsContact O-CG 3.28Å; K299-E303 WeakPolarHBondContact O-CG 3.34Å; K299-E303 PolarHBondContact O-N 3.19Å; S300-E303 PolarHBondContact O-N 3.23Å
304	T	92.4	Very high	91.2	Very high	97 Å²	97	62.7 Å²	62.7	60%	0.595	34%	0.336	S	S	*	.	H	α-helix	trans	-74.4	-35	174.9	57.3	0	0	0	0	112.4	S300 V301 P306	S300-T304 WeakPolarHBondContact O-CB 3.16Å; S300-T304 VanDerWaalsContact O-CG2 3.28Å; S300-T304 WeakPolarHBondContact O-CG2 3.3Å; S300-T304 PolarHBondContact O-N 3.39Å; S300-T304 PolarHBondContact O-OG1 2.83Å; V301-T304 PolarHBondContact O-OG1 3.32Å; T304-P306 WeakPolarHBondContact O-CD 3.44Å
305	N	89.1	Confident	91.3	Very high	85 Å²	85	61.3 Å²	61.3	46%	0.455	33%	0.325	S	S	.	.			trans	-123.5	77.8	-179.9	-56.4	-60.7	0	0	0	112.4	V301 R302 H307 H308	V301-N305 WeakPolarHBondContact O-CB 3.41Å; V301-N305 PolarHBondContact O-N 2.89Å; R302-N305 CarbonylContact O-C 3.57Å; N305-H307 VanDerWaalsContact C-N 3.27Å; N305-H307 PolarHBondContact O-N 3.07Å; N305-H308 HydrophobicContact CB-CB 3.76Å; N305-H308 PolarHBondContact O-N 3.12Å
306	P	90.6	Very high	91.4	Very high	42 Å²	42	58.9 Å²	58.9	27%	0.273	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-26.8	-178.8	-24.1	35.1	0	0	0	114.5	R302 T304 W312 M338 C339	R302-P306 WeakPolarHBondContact O-CA 3.26Å; T304-P306 WeakPolarHBondContact O-CD 3.44Å; P306-W312 PolarHBondContact O-NE1 2.73Å; P306-M338 HydrophobicContact CB-CE 3.67Å; P306-C339 PolarHBondContact O-SG 3.42Å
307	H	90.1	Very high	91.3	Very high	149 Å²	149	59.2 Å²	59.2	69%	0.69	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	6.8	-179.6	-60	-48.3	0	0	0	114.1	N305 P309 M338	N305-H307 VanDerWaalsContact C-N 3.27Å; N305-H307 PolarHBondContact O-N 3.07Å; H307-P309 VanDerWaalsContact O-CD 3.28Å; H307-P309 WeakPolarHBondContact O-CD 3.25Å; H307-M338 PolarHBondContact ND1-O 3.4Å
308	H	90.8	Very high	91.2	Very high	85 Å²	85	55.4 Å²	55.4	39%	0.394	29%	0.288	S	S	.	.			trans	-92.1	109.1	-179.6	-176.1	-114.9	0	0	0	111.1	N305 A311	N305-H308 HydrophobicContact CB-CB 3.76Å; N305-H308 PolarHBondContact O-N 3.12Å; H308-A311 HydrophobicContact CB-CB 4.28Å; H308-A311 PolarHBondContact ND1-N 2.9Å; H308-A311 WeakPolarHBondContact O-CB 3.48Å; H308-A311 PolarHBondContact O-N 3.16Å
309	P	88.9	Confident	91.1	Very high	34 Å²	34	54.3 Å²	54.3	22%	0.221	28%	0.282	C	S	.	.	H	α-helix	trans	-62.6	-44	-173.2	-20.1	32.1	0	0	0	114.4	H307 A311 W312 I313 C339 V345	H307-P309 VanDerWaalsContact O-CD 3.28Å; H307-P309 WeakPolarHBondContact O-CD 3.25Å; P309-A311 PolarHBondContact O-N 2.88Å; P309-W312 PolarHBondContact O-N 2.84Å; P309-I313 WeakPolarHBondContact O-CG1 3.4Å; P309-I313 PolarHBondContact O-N 2.87Å; P309-C339 HydrophobicContact CG-CB 4.48Å; P309-V345 HydrophobicContact CB-CG2 3.52Å
310	P	92.8	Very high	90.9	Very high	67 Å²	67	52.5 Å²	52.5	44%	0.435	28%	0.275	S	S	.	.	H	α-helix	trans	-61.8	-24.3	177.7	-23.9	33.5	0	0	0	114.6	I313 A314	P310-I313 PolarHBondContact O-N 3.39Å; P310-A314 WeakPolarHBondContact O-CB 3.5Å; P310-A314 PolarHBondContact O-N 3.39Å
311	A	91.7	Very high	90.6	Very high	2 Å²	2	53.2 Å²	53.2	2%	0.017	28%	0.277	C	S	.	.	H	α-helix	trans	-64.9	-43.3	177.7	0	0	0	0	0	111.7	V301 R302 H308 P309 S315	V301-A311 HydrophobicContact CG1-CB 3.8Å; R302-A311 HydrophobicContact CB-CB 4.15Å; H308-A311 HydrophobicContact CB-CB 4.28Å; H308-A311 PolarHBondContact ND1-N 2.9Å; H308-A311 WeakPolarHBondContact O-CB 3.48Å; H308-A311 PolarHBondContact O-N 3.16Å; P309-A311 PolarHBondContact O-N 2.88Å; A311-S315 WeakPolarHBondContact O-CB 3.33Å; A311-S315 PolarHBondContact O-N 3.2Å; A311-S315 PolarHBondContact O-OG 2.97Å
312	W	92.8	Very high	90	Very high	19 Å²	19	52.9 Å²	52.9	7%	0.072	28%	0.276	C	S	.	.	H	α-helix	trans	-69.7	-41.8	176.9	-64.7	101.6	0	0	0	111.6	R302 P306 P309 S315 A316 L331 K334 G335 M338	R302-W312 HydrophobicContact CB-CD2 4.41Å; R302-W312 HydrophobicContact CB-CZ2 4.37Å; P306-W312 PolarHBondContact O-NE1 2.73Å; P309-W312 PolarHBondContact O-N 2.84Å; W312-S315 PolarHBondContact O-N 2.8Å; W312-A316 WeakPolarHBondContact O-CB 3.32Å; W312-A316 PolarHBondContact O-N 3.3Å; W312-L331 HydrophobicContact CE3-CD1 4.11Å; W312-L331 HydrophobicContact CE3-CG 4.1Å; W312-L331 HydrophobicContact CZ3-CD1 3.73Å; W312-L331 HydrophobicContact CZ3-CG 4.22Å; W312-K334 HydrophobicContact CH2-CB 4.47Å; W312-K334 HydrophobicContact CH2-CG 3.99Å; W312-K334 HydrophobicContact CZ3-CB 4.07Å; W312-K334 HydrophobicContact CZ3-CG 4.08Å; W312-G335 VanDerWaalsContact CD2-CA 3.48Å; W312-M338 HydrophobicContact CH2-CG 4.45Å; W312-M338 HydrophobicContact CZ2-CB 4.18Å; W312-M338 HydrophobicContact CZ2-CG 3.97Å
313	I	92.4	Very high	89.4	Confident	15 Å²	15	53.9 Å²	53.9	8%	0.077	30%	0.298	C	S	.	.	H	α-helix	trans	-62	-51.2	176.8	-63.5	167.7	0	0	0	110.6	P309 P310 S315 A316 R317 D344 V345 E348	P309-I313 WeakPolarHBondContact O-CG1 3.4Å; P309-I313 PolarHBondContact O-N 2.87Å; P310-I313 PolarHBondContact O-N 3.39Å; I313-S315 VanDerWaalsContact C-N 3.32Å; I313-S315 PolarHBondContact O-N 3.32Å; I313-A316 PolarHBondContact O-N 3.32Å; I313-R317 HydrophobicContact CG2-CG 4.32Å; I313-R317 WeakPolarHBondContact O-CB 3.08Å; I313-R317 WeakPolarHBondContact O-CG 3.49Å; I313-R317 PolarHBondContact O-N 2.92Å; I313-D344 HydrophobicContact CD1-CB 3.58Å; I313-V345 HydrophobicContact CD1-CG2 3.99Å; I313-V345 HydrophobicContact CG1-CG2 3.9Å; I313-E348 HydrophobicContact CG1-CB 4.32Å; I313-E348 HydrophobicContact CG2-CG 4.18Å
314	A	90.6	Very high	89.1	Confident	38 Å²	38	53.4 Å²	53.4	31%	0.314	29%	0.294	S	S	.	.	H	α-helix	trans	-61.2	-42.8	179.8	0	0	0	0	0	111.2	L298 P310 A316 L318	L298-A314 HydrophobicContact CD1-CB 4.12Å; L298-A314 WeakPolarHBondContact CD1-O 3.11Å; L298-A314 HydrophobicContact CD2-CB 3.9Å; P310-A314 WeakPolarHBondContact O-CB 3.5Å; P310-A314 PolarHBondContact O-N 3.39Å; A314-A316 VanDerWaalsContact C-N 3.35Å; A314-A316 PolarHBondContact O-N 3.33Å; A314-L318 WeakPolarHBondContact O-CB 3.33Å; A314-L318 PolarHBondContact O-N 2.93Å
315	S	90.1	Very high	88.9	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.014	28%	0.284	C	S	.	.	H	α-helix	trans	-62.7	-42.2	177.9	-58	0	0	0	0	112	L298 R302 A311 W312 I313 L318 E319	L298-S315 WeakPolarHBondContact CB-OG 3.32Å; L298-S315 PolarHBondContact O-OG 2.79Å; R302-S315 PolarHBondContact NH1-OG 2.83Å; A311-S315 WeakPolarHBondContact O-CB 3.33Å; A311-S315 PolarHBondContact O-N 3.2Å; A311-S315 PolarHBondContact O-OG 2.97Å; W312-S315 PolarHBondContact O-N 2.8Å; I313-S315 VanDerWaalsContact C-N 3.32Å; I313-S315 PolarHBondContact O-N 3.32Å; S315-L318 PolarHBondContact O-N 3.04Å; S315-E319 WeakPolarHBondContact O-CG 3.3Å; S315-E319 PolarHBondContact O-N 3.25Å; S315-E319 VanDerWaalsContact O-N 3.13Å
316	A	91.6	Very high	89	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-72.7	-41	-179.4	0	0	0	0	0	113.1	W312 I313 A314 L318 E319 E320 A328 I332 L352	W312-A316 WeakPolarHBondContact O-CB 3.32Å; W312-A316 PolarHBondContact O-N 3.3Å; I313-A316 PolarHBondContact O-N 3.32Å; A314-A316 VanDerWaalsContact C-N 3.35Å; A314-A316 PolarHBondContact O-N 3.33Å; A316-L318 VanDerWaalsContact C-N 3.27Å; A316-L318 PolarHBondContact O-N 3.05Å; A316-E319 PolarHBondContact O-N 3.08Å; A316-E320 PolarHBondContact O-N 2.55Å; A316-A328 HydrophobicContact CB-CB 4.46Å; A316-A328 WeakPolarHBondContact O-CB 3.49Å; A316-I332 HydrophobicContact CB-CG2 3.34Å; A316-L352 HydrophobicContact CB-CD1 3.94Å
317	R	90.9	Very high	89	Confident	129 Å²	129	54.9 Å²	54.9	49%	0.487	29%	0.294	S	S	.	.	H	α-helix	trans	-61.5	-37.9	172.3	-72.9	-177.3	-178.4	175.6	3.1	111.3	I313 E320 V321 E348	I313-R317 HydrophobicContact CG2-CG 4.32Å; I313-R317 WeakPolarHBondContact O-CB 3.08Å; I313-R317 WeakPolarHBondContact O-CG 3.49Å; I313-R317 PolarHBondContact O-N 2.92Å; R317-E320 PolarHBondContact O-N 2.82Å; R317-V321 WeakPolarHBondContact O-CG1 2.98Å; R317-V321 PolarHBondContact O-N 3.42Å; R317-E348 IonicContact CZ-OE2 2.98Å; R317-E348 VanDerWaalsContact CZ-OE2 3.3Å; R317-E348 IonicContact NE-OE1 2.74Å; R317-E348 IonicContact NE-OE2 3.81Å; R317-E348 PolarHBondContact NE-OE2 3.41Å; R317-E348 IonicContact NH2-OE2 2.63Å; R317-E348 PolarHBondContact NH2-OE2 3.36Å
318	L	90.4	Very high	89.1	Confident	25 Å²	25	47.8 Å²	47.8	13%	0.131	26%	0.261	C	S	.	.	H	α-helix	trans	-62.2	-44.3	174.4	-172.4	70	0	0	0	111.5	I291 A294 R295 L298 A314 S315 A316 E320 V321 T322	I291-L318 HydrophobicContact CD1-CD1 3.6Å; A294-L318 HydrophobicContact CB-CD1 4.25Å; A294-L318 HydrophobicContact CB-CD2 3.74Å; R295-L318 HydrophobicContact CB-CD2 4.07Å; L298-L318 HydrophobicContact CD1-CB 3.9Å; L298-L318 HydrophobicContact CD1-CD2 3.68Å; L298-L318 HydrophobicContact CD1-CG 4.35Å; A314-L318 WeakPolarHBondContact O-CB 3.33Å; A314-L318 PolarHBondContact O-N 2.93Å; S315-L318 PolarHBondContact O-N 3.04Å; A316-L318 VanDerWaalsContact C-N 3.27Å; A316-L318 PolarHBondContact O-N 3.05Å; L318-E320 VanDerWaalsContact C-N 3.33Å; L318-E320 PolarHBondContact O-N 2.97Å; L318-V321 HydrophobicContact CD1-CG2 4.28Å; L318-V321 WeakPolarHBondContact O-CG2 3.49Å; L318-T322 WeakPolarHBondContact O-CG2 3.32Å; L318-T322 PolarHBondContact O-N 3.44Å; L318-T322 PolarHBondContact O-OG1 2.81Å
319	E	88.7	Confident	89.2	Confident	11 Å²	11	46.3 Å²	46.3	5%	0.051	25%	0.253	C	S	.	.	H	α-helix	trans	-68.5	-33.5	178	-66.2	-62.5	170.4	0	0	112.4	R295 S315 A316 T322 G323 K324 V327 A328	R295-E319 WeakPolarHBondContact CD-OE1 3.4Å; R295-E319 WeakPolarHBondContact CG-OE1 3.36Å; R295-E319 IonicContact CZ-OE1 3.34Å; R295-E319 IonicContact CZ-OE2 2.63Å; R295-E319 IonicContact NE-OE1 3.36Å; R295-E319 PolarHBondContact NE-OE1 3.22Å; R295-E319 IonicContact NE-OE2 3.29Å; R295-E319 PolarHBondContact NE-OE2 3.05Å; R295-E319 IonicContact NH2-OE1 3.93Å; R295-E319 IonicContact NH2-OE2 3.36Å; R295-E319 PolarHBondContact NH2-OE2 3.34Å; S315-E319 WeakPolarHBondContact O-CG 3.3Å; S315-E319 PolarHBondContact O-N 3.25Å; S315-E319 VanDerWaalsContact O-N 3.13Å; A316-E319 PolarHBondContact O-N 3.08Å; E319-T322 PolarHBondContact O-N 3.25Å; E319-T322 PolarHBondContact O-OG1 2.89Å; E319-G323 PolarHBondContact O-N 3.32Å; E319-K324 PolarHBondContact O-N 2.64Å; E319-V327 HydrophobicContact CG-CG1 4.2Å; E319-A328 HydrophobicContact CB-CB 3.8Å
320	E	88.6	Confident	89.3	Confident	53 Å²	53	49.4 Å²	49.4	25%	0.248	27%	0.267	C	S	.	.	H	α-helix	trans	-62.4	-51	172.7	172.9	-174.1	-148.4	0	0	112.4	A316 R317 L318 T322 G323 L325 R351 L352	A316-E320 PolarHBondContact O-N 2.55Å; R317-E320 PolarHBondContact O-N 2.82Å; L318-E320 VanDerWaalsContact C-N 3.33Å; L318-E320 PolarHBondContact O-N 2.97Å; E320-T322 PolarHBondContact O-N 3.41Å; E320-T322 VanDerWaalsContact O-N 3.13Å; E320-G323 WeakPolarHBondContact O-CA 3.28Å; E320-G323 PolarHBondContact O-N 2.84Å; E320-L325 HydrophobicContact CB-CD2 4.19Å; E320-L325 HydrophobicContact CG-CD2 3.82Å; E320-R351 IonicContact OE1-CZ 3.93Å; E320-R351 VanDerWaalsContact OE1-CZ 3.32Å; E320-R351 IonicContact OE1-NH1 3.36Å; E320-R351 PolarHBondContact OE1-NH1 2.82Å; E320-R351 IonicContact OE1-NH2 3.18Å; E320-R351 PolarHBondContact OE1-NH2 3.29Å; E320-R351 IonicContact OE2-CZ 3.32Å; E320-R351 IonicContact OE2-NH1 3.5Å; E320-R351 IonicContact OE2-NH2 3.14Å; E320-R351 PolarHBondContact OE2-NH2 3.46Å; E320-L352 HydrophobicContact CB-CD2 4.18Å; E320-L352 HydrophobicContact CG-CD2 4.25Å
321	V	86.9	Confident	89.2	Confident	64 Å²	64	47.4 Å²	47.4	39%	0.388	25%	0.252	S	S	.	.	H	α-helix	trans	-63.6	-22.1	-179.3	-61.2	0	0	0	0	112	R317 L318 G323	R317-V321 WeakPolarHBondContact O-CG1 2.98Å; R317-V321 PolarHBondContact O-N 3.42Å; L318-V321 HydrophobicContact CD1-CG2 4.28Å; L318-V321 WeakPolarHBondContact O-CG2 3.49Å; V321-G323 VanDerWaalsContact C-N 3.34Å
322	T	80.9	Confident	89.2	Confident	37 Å²	37	47.3 Å²	47.3	23%	0.227	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	1.9	174.6	71.2	0	0	0	0	113.8	I291 R295 L318 E319 E320	I291-T322 HydrophobicContact CB-CG2 4.31Å; I291-T322 HydrophobicContact CD1-CG2 3.86Å; I291-T322 HydrophobicContact CG1-CG2 4.1Å; I291-T322 HydrophobicContact CG2-CG2 3.28Å; R295-T322 PolarHBondContact NH2-OG1 2.77Å; L318-T322 WeakPolarHBondContact O-CG2 3.32Å; L318-T322 PolarHBondContact O-N 3.44Å; L318-T322 PolarHBondContact O-OG1 2.81Å; E319-T322 PolarHBondContact O-N 3.25Å; E319-T322 PolarHBondContact O-OG1 2.89Å; E320-T322 PolarHBondContact O-N 3.41Å; E320-T322 VanDerWaalsContact O-N 3.13Å
323	G	77.1	Confident	89.1	Confident	59 Å²	59	48.8 Å²	48.8	61%	0.608	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	1.7	175.9	0	0	0	0	0	115.6	E319 E320 V321 L325	E319-G323 PolarHBondContact O-N 3.32Å; E320-G323 WeakPolarHBondContact O-CA 3.28Å; E320-G323 PolarHBondContact O-N 2.84Å; V321-G323 VanDerWaalsContact C-N 3.34Å; G323-L325 VanDerWaalsContact C-N 3.33Å; G323-L325 PolarHBondContact O-N 2.68Å; G323-L325 VanDerWaalsContact O-N 3.16Å
324	K	84.6	Confident	89.1	Confident	109 Å²	109	52.7 Å²	52.7	47%	0.474	28%	0.276	S	S	.	.			trans	-91.6	62	-179.3	-65.6	-176.7	-176.4	177.7	0	111.9	E319 Q326 V327 A328	E319-K324 PolarHBondContact O-N 2.64Å; K324-Q326 VanDerWaalsContact C-N 3.29Å; K324-Q326 PolarHBondContact O-N 3.03Å; K324-V327 HydrophobicContact CB-CB 4.27Å; K324-V327 HydrophobicContact CB-CG2 4.36Å; K324-V327 PolarHBondContact O-N 2.83Å; K324-V327 VanDerWaalsContact O-N 3.11Å; K324-A328 PolarHBondContact O-N 3.24Å
325	L	88.2	Confident	89	Confident	73 Å²	73	50.9 Å²	50.9	38%	0.382	26%	0.261	S	S	.	.	H	α-helix	trans	-55.9	-38.2	-175.9	-70.5	173.5	0	0	0	113.7	E320 G323 V327 A328 R329 L352	E320-L325 HydrophobicContact CB-CD2 4.19Å; E320-L325 HydrophobicContact CG-CD2 3.82Å; G323-L325 VanDerWaalsContact C-N 3.33Å; G323-L325 PolarHBondContact O-N 2.68Å; G323-L325 VanDerWaalsContact O-N 3.16Å; L325-V327 PolarHBondContact O-N 2.74Å; L325-A328 WeakPolarHBondContact O-CB 3.45Å; L325-A328 PolarHBondContact O-N 3.25Å; L325-R329 WeakPolarHBondContact O-CB 3.41Å; L325-R329 WeakPolarHBondContact O-CG 3.41Å; L325-R329 PolarHBondContact O-N 2.82Å; L325-L352 HydrophobicContact CD2-CD2 4.44Å
326	Q	90.9	Very high	88.9	Confident	106 Å²	106	50.9 Å²	50.9	50%	0.495	26%	0.261	S	S	.	.	H	α-helix	trans	-68.4	-36.3	-179.4	-168.2	58.4	36.8	0	0	112.7	K324 R329 N330	K324-Q326 VanDerWaalsContact C-N 3.29Å; K324-Q326 PolarHBondContact O-N 3.03Å; Q326-R329 PolarHBondContact O-N 3.11Å; Q326-N330 PolarHBondContact NE2-OD1 3.42Å; Q326-N330 VanDerWaalsContact NE2-OD1 3.11Å; Q326-N330 VanDerWaalsContact O-CG 3.3Å; Q326-N330 PolarHBondContact O-N 3.24Å; Q326-N330 PolarHBondContact O-OD1 3Å
327	V	90.8	Very high	88.7	Confident	75 Å²	75	56.7 Å²	56.7	46%	0.455	29%	0.289	S	S	.	.	H	α-helix	trans	-68.8	-42.7	175.1	178.2	0	0	0	0	109.8	E319 K324 L325 R329 N330 L331	E319-V327 HydrophobicContact CG-CG1 4.2Å; K324-V327 HydrophobicContact CB-CB 4.27Å; K324-V327 HydrophobicContact CB-CG2 4.36Å; K324-V327 PolarHBondContact O-N 2.83Å; K324-V327 VanDerWaalsContact O-N 3.11Å; L325-V327 PolarHBondContact O-N 2.74Å; V327-R329 VanDerWaalsContact C-N 3.32Å; V327-R329 PolarHBondContact O-N 3.28Å; V327-N330 PolarHBondContact O-N 3.42Å; V327-L331 WeakPolarHBondContact O-CB 3.32Å; V327-L331 PolarHBondContact O-N 2.86Å
328	A	91.6	Very high	88.7	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-55.1	-48.6	173.2	0	0	0	0	0	111.1	A316 E319 K324 L325 N330 L331 I332 L352	A316-A328 HydrophobicContact CB-CB 4.46Å; A316-A328 WeakPolarHBondContact O-CB 3.49Å; E319-A328 HydrophobicContact CB-CB 3.8Å; K324-A328 PolarHBondContact O-N 3.24Å; L325-A328 WeakPolarHBondContact O-CB 3.45Å; L325-A328 PolarHBondContact O-N 3.25Å; A328-N330 PolarHBondContact O-N 2.93Å; A328-L331 WeakPolarHBondContact O-CA 3.48Å; A328-L331 WeakPolarHBondContact O-CB 3.34Å; A328-L331 PolarHBondContact O-N 2.87Å; A328-I332 WeakPolarHBondContact O-CG1 3.48Å; A328-I332 PolarHBondContact O-N 2.7Å; A328-L352 HydrophobicContact CB-CD1 4.38Å
329	R	92	Very high	88.6	Confident	55 Å²	55	52.5 Å²	52.5	21%	0.208	28%	0.275	C	S	.	.	H	α-helix	trans	-60	-41	178.1	-77	172.1	-169.6	162.7	0.6	114	L325 Q326 V327 L331 I332 M333 L352	L325-R329 WeakPolarHBondContact O-CB 3.41Å; L325-R329 WeakPolarHBondContact O-CG 3.41Å; L325-R329 PolarHBondContact O-N 2.82Å; Q326-R329 PolarHBondContact O-N 3.11Å; V327-R329 VanDerWaalsContact C-N 3.32Å; V327-R329 PolarHBondContact O-N 3.28Å; R329-L331 VanDerWaalsContact C-N 3.27Å; R329-I332 VanDerWaalsContact O-CG1 3.27Å; R329-I332 WeakPolarHBondContact O-CG1 3.35Å; R329-M333 WeakPolarHBondContact O-CB 3.42Å; R329-M333 WeakPolarHBondContact O-CG 3.43Å; R329-M333 PolarHBondContact O-N 3.03Å; R329-L352 HydrophobicContact CG-CB 4.37Å; R329-L352 PolarHBondContact NE-O 3.3Å
330	N	91.6	Very high	88.5	Confident	99 Å²	99	54.2 Å²	54.2	53%	0.529	29%	0.287	S	S	.	.	H	α-helix	trans	-69.2	-34.8	175.9	-66.5	-3.1	0	0	0	110.4	Q326 V327 A328 K334	Q326-N330 PolarHBondContact NE2-OD1 3.42Å; Q326-N330 VanDerWaalsContact NE2-OD1 3.11Å; Q326-N330 VanDerWaalsContact O-CG 3.3Å; Q326-N330 PolarHBondContact O-N 3.24Å; Q326-N330 PolarHBondContact O-OD1 3Å; V327-N330 PolarHBondContact O-N 3.42Å; A328-N330 PolarHBondContact O-N 2.93Å; N330-K334 PolarHBondContact O-N 3.35Å
331	L	91.9	Very high	88.4	Confident	24 Å²	24	60.3 Å²	60.3	13%	0.126	31%	0.313	C	S	.	.	H	α-helix	trans	-72.3	-43.2	-177.7	-163.7	68	0	0	0	113.3	W312 V327 A328 R329 K334 G335	W312-L331 HydrophobicContact CE3-CD1 4.11Å; W312-L331 HydrophobicContact CE3-CG 4.1Å; W312-L331 HydrophobicContact CZ3-CD1 3.73Å; W312-L331 HydrophobicContact CZ3-CG 4.22Å; V327-L331 WeakPolarHBondContact O-CB 3.32Å; V327-L331 PolarHBondContact O-N 2.86Å; A328-L331 WeakPolarHBondContact O-CA 3.48Å; A328-L331 WeakPolarHBondContact O-CB 3.34Å; A328-L331 PolarHBondContact O-N 2.87Å; R329-L331 VanDerWaalsContact C-N 3.27Å; L331-K334 PolarHBondContact O-N 2.81Å; L331-G335 PolarHBondContact O-N 3.16Å
332	I	91.8	Very high	88.5	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-65.3	-38.6	171.9	42.1	145.3	0	0	0	112.4	A316 A328 R329 K334 G335 T336 E348 A349 L352 Q353	A316-I332 HydrophobicContact CB-CG2 3.34Å; A328-I332 WeakPolarHBondContact O-CG1 3.48Å; A328-I332 PolarHBondContact O-N 2.7Å; R329-I332 VanDerWaalsContact O-CG1 3.27Å; R329-I332 WeakPolarHBondContact O-CG1 3.35Å; I332-K334 VanDerWaalsContact C-N 3.25Å; I332-K334 PolarHBondContact O-N 2.99Å; I332-G335 CarbonylContact O-C 3.42Å; I332-G335 VanDerWaalsContact O-CA 3.31Å; I332-G335 WeakPolarHBondContact O-CA 3.44Å; I332-G335 PolarHBondContact O-N 3.3Å; I332-T336 WeakPolarHBondContact O-CG2 3.41Å; I332-T336 PolarHBondContact O-N 3.43Å; I332-T336 PolarHBondContact O-OG1 3.17Å; I332-E348 HydrophobicContact CG2-CG 4.25Å; I332-A349 HydrophobicContact CB-CB 4.35Å; I332-A349 VanDerWaalsContact CD1-CA 3.43Å; I332-A349 HydrophobicContact CD1-CB 3.87Å; I332-L352 HydrophobicContact CB-CD1 4.43Å; I332-L352 HydrophobicContact CD1-CB 3.7Å; I332-L352 HydrophobicContact CD1-CD1 3.84Å; I332-L352 HydrophobicContact CD1-CG 4.39Å; I332-L352 HydrophobicContact CG1-CD1 3.94Å; I332-L352 HydrophobicContact CG2-CD1 3.67Å; I332-Q353 HydrophobicContact CD1-CG 4.31Å
333	M	90.2	Very high	88.9	Confident	50 Å²	50	59.1 Å²	59.1	25%	0.246	30%	0.303	C	S	.	.	H	α-helix	trans	-64.4	-35.5	176.3	-72.5	-58.5	-58.9	0	0	111	R329 G335 T336 E337 V361	R329-M333 WeakPolarHBondContact O-CB 3.42Å; R329-M333 WeakPolarHBondContact O-CG 3.43Å; R329-M333 PolarHBondContact O-N 3.03Å; M333-G335 VanDerWaalsContact C-N 3.35Å; M333-T336 WeakPolarHBondContact CA-OG1 3.03Å; M333-T336 PolarHBondContact O-N 3.26Å; M333-T336 PolarHBondContact O-OG1 2.84Å; M333-E337 PolarHBondContact O-N 3.2Å; M333-V361 HydrophobicContact CE-CG2 4.16Å; M333-V361 HydrophobicContact SD-CG2 3.63Å
334	K	90.9	Very high	89.6	Confident	96 Å²	96	59.9 Å²	59.9	42%	0.417	29%	0.293	S	S	.	.	H	α-helix	trans	-66.7	-40.2	168.9	-166.6	67.8	-161.7	159.6	0	111.6	W312 N330 L331 I332 T336 E337 M338	W312-K334 HydrophobicContact CH2-CB 4.47Å; W312-K334 HydrophobicContact CH2-CG 3.99Å; W312-K334 HydrophobicContact CZ3-CB 4.07Å; W312-K334 HydrophobicContact CZ3-CG 4.08Å; N330-K334 PolarHBondContact O-N 3.35Å; L331-K334 PolarHBondContact O-N 2.81Å; I332-K334 VanDerWaalsContact C-N 3.25Å; I332-K334 PolarHBondContact O-N 2.99Å; K334-T336 VanDerWaalsContact C-N 3.34Å; K334-T336 PolarHBondContact O-N 2.97Å; K334-E337 IonicContact NZ-OE2 3.79Å; K334-E337 PolarHBondContact NZ-OE2 3.04Å; K334-E337 PolarHBondContact O-N 3.45Å; K334-M338 HydrophobicContact CG-CG 4.47Å; K334-M338 VanDerWaalsContact O-CG 3.24Å; K334-M338 WeakPolarHBondContact O-CG 3.38Å; K334-M338 PolarHBondContact O-N 3.39Å; K334-M338 VanDerWaalsContact O-N 3.1Å
335	G	89.4	Confident	90	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.7	-38.6	174.6	0	0	0	0	0	113.9	W312 L331 I332 M333 M338 C339	W312-G335 VanDerWaalsContact CD2-CA 3.48Å; L331-G335 PolarHBondContact O-N 3.16Å; I332-G335 CarbonylContact O-C 3.42Å; I332-G335 VanDerWaalsContact O-CA 3.31Å; I332-G335 WeakPolarHBondContact O-CA 3.44Å; I332-G335 PolarHBondContact O-N 3.3Å; M333-G335 VanDerWaalsContact C-N 3.35Å; G335-M338 PolarHBondContact O-N 3.41Å; G335-C339 WeakPolarHBondContact O-CB 3.39Å; G335-C339 PolarHBondContact O-N 3Å
336	T	88	Confident	90.2	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.012	25%	0.254	C	S	.	.	H	α-helix	trans	-69.5	-34.5	179.3	53	0	0	0	0	112.2	I332 M333 K334 C339 V345 W346 A349	I332-T336 WeakPolarHBondContact O-CG2 3.41Å; I332-T336 PolarHBondContact O-N 3.43Å; I332-T336 PolarHBondContact O-OG1 3.17Å; M333-T336 WeakPolarHBondContact CA-OG1 3.03Å; M333-T336 PolarHBondContact O-N 3.26Å; M333-T336 PolarHBondContact O-OG1 2.84Å; K334-T336 VanDerWaalsContact C-N 3.34Å; K334-T336 PolarHBondContact O-N 2.97Å; T336-C339 CarbonylContact O-C 3.54Å; T336-V345 HydrophobicContact CG2-CG1 3.75Å; T336-W346 HydrophobicContact CG2-CD2 3.74Å; T336-W346 HydrophobicContact CG2-CE3 3.49Å; T336-W346 VanDerWaalsContact CG2-CE3 3.49Å; T336-W346 HydrophobicContact CG2-CG 4.41Å; T336-W346 HydrophobicContact CG2-CH2 4.19Å; T336-W346 HydrophobicContact CG2-CZ2 4.39Å; T336-W346 HydrophobicContact CG2-CZ3 3.74Å; T336-A349 HydrophobicContact CG2-CB 3.59Å
337	E	88.3	Confident	90.2	Very high	123 Å²	123	48.2 Å²	48.2	58%	0.575	24%	0.239	S	C	*	.	H	α-helix	trans	-66.9	-41.2	171.2	-67.2	172.1	-173.4	0	0	112.1	M333 K334	M333-E337 PolarHBondContact O-N 3.2Å; K334-E337 IonicContact NZ-OE2 3.79Å; K334-E337 PolarHBondContact NZ-OE2 3.04Å; K334-E337 PolarHBondContact O-N 3.45Å
338	M	89.2	Confident	90.1	Very high	58 Å²	58	45 Å²	45	29%	0.286	22%	0.219	S	C	.	.	H	α-helix	trans	-79.8	-28.2	-176.1	-62.3	-55.8	-67.1	0	0	113.3	P306 H307 W312 K334 G335 P340	P306-M338 HydrophobicContact CB-CE 3.67Å; H307-M338 PolarHBondContact ND1-O 3.4Å; W312-M338 HydrophobicContact CH2-CG 4.45Å; W312-M338 HydrophobicContact CZ2-CB 4.18Å; W312-M338 HydrophobicContact CZ2-CG 3.97Å; K334-M338 HydrophobicContact CG-CG 4.47Å; K334-M338 VanDerWaalsContact O-CG 3.24Å; K334-M338 WeakPolarHBondContact O-CG 3.38Å; K334-M338 PolarHBondContact O-N 3.39Å; K334-M338 VanDerWaalsContact O-N 3.1Å; G335-M338 PolarHBondContact O-N 3.41Å; M338-P340 VanDerWaalsContact C-CD 3.49Å; M338-P340 WeakPolarHBondContact O-CD 3.43Å
339	C	88.4	Confident	90.1	Very high	7 Å²	7	45 Å²	45	5%	0.047	22%	0.219	C	C	.	.			trans	-124.5	69.8	-179.7	-64.4	0	0	0	0	111.2	P306 P309 G335 T336 K341 S342 V345	P306-C339 PolarHBondContact O-SG 3.42Å; P309-C339 HydrophobicContact CG-CB 4.48Å; G335-C339 WeakPolarHBondContact O-CB 3.39Å; G335-C339 PolarHBondContact O-N 3Å; T336-C339 CarbonylContact O-C 3.54Å; C339-K341 VanDerWaalsContact C-N 3.34Å; C339-K341 PolarHBondContact O-N 3.3Å; C339-S342 WeakPolarHBondContact CB-OG 3.09Å; C339-S342 PolarHBondContact O-OG 2.91Å; C339-V345 HydrophobicContact CB-CG2 4.47Å
340	P	86.6	Confident	90	Very high	47 Å²	47	42.5 Å²	42.5	31%	0.305	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-27.3	-173.9	26.8	-34.9	0	0	0	113.5	M338 W346	M338-P340 VanDerWaalsContact C-CD 3.49Å; M338-P340 WeakPolarHBondContact O-CD 3.43Å; P340-W346 PolarHBondContact O-NE1 2.87Å
341	K	86.6	Confident	90	Very high	182 Å²	182	42.5 Å²	42.5	79%	0.791	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-1.5	-174.9	-64.3	-172.2	179	-178.3	0	114.6	C339	C339-K341 VanDerWaalsContact C-N 3.34Å; C339-K341 PolarHBondContact O-N 3.3Å
342	S	89.8	Confident	90	Very high	19 Å²	19	41.8 Å²	41.8	13%	0.133	20%	0.198	C	C	.	.			trans	-99	120.2	-177.2	58.3	0	0	0	0	111.9	C339 D344 V345	C339-S342 WeakPolarHBondContact CB-OG 3.09Å; C339-S342 PolarHBondContact O-OG 2.91Å; S342-D344 PolarHBondContact O-N 3.18Å; S342-V345 WeakPolarHBondContact OG-CG2 3.43Å
343	E	89.4	Confident	89.8	Confident	57 Å²	57	43.1 Å²	43.1	27%	0.266	21%	0.205	S	C	.	.	H	α-helix	trans	-61.7	-41.7	179.6	-58.7	-174.9	156	0	0	112.8	V345 W346 L347 L369 S372 R374	E343-V345 VanDerWaalsContact C-N 3.35Å; E343-V345 PolarHBondContact O-N 3.45Å; E343-W346 PolarHBondContact O-N 3.09Å; E343-L347 WeakPolarHBondContact O-CG 3.49Å; E343-L347 PolarHBondContact O-N 2.95Å; E343-L369 HydrophobicContact CB-CD1 4.45Å; E343-L369 HydrophobicContact CG-CD1 3.92Å; E343-S372 WeakPolarHBondContact CG-OG 3.39Å; E343-S372 WeakPolarHBondContact OE1-CA 3.34Å; E343-S372 WeakPolarHBondContact OE1-CB 3.41Å; E343-S372 PolarHBondContact OE1-OG 2.96Å; E343-S372 PolarHBondContact OE2-OG 3.3Å; E343-R374 IonicContact OE2-CZ 3.63Å; E343-R374 VanDerWaalsContact OE2-CZ 3.3Å; E343-R374 IonicContact OE2-NE 2.69Å; E343-R374 PolarHBondContact OE2-NE 2.9Å; E343-R374 VanDerWaalsContact OE2-NE 3.07Å; E343-R374 IonicContact OE2-NH2 3.59Å; E343-R374 PolarHBondContact OE2-NH2 3.38Å
344	D	91.4	Very high	89.8	Confident	75 Å²	75	43.8 Å²	43.8	40%	0.401	21%	0.213	S	C	.	.	H	α-helix	trans	-66.4	-34.8	-171.2	-67.5	-25	0	0	0	113.1	I313 S342 W346 L347 E348 R374	I313-D344 HydrophobicContact CD1-CB 3.58Å; S342-D344 PolarHBondContact O-N 3.18Å; D344-W346 VanDerWaalsContact C-N 3.34Å; D344-L347 PolarHBondContact O-N 3.06Å; D344-E348 WeakPolarHBondContact O-CB 3.41Å; D344-E348 PolarHBondContact O-N 3.43Å; D344-R374 IonicContact OD1-CZ 2.92Å; D344-R374 IonicContact OD1-NH1 3.99Å; D344-R374 PolarHBondContact OD1-NH1 3.36Å; D344-R374 IonicContact OD1-NH2 3.78Å; D344-R374 PolarHBondContact OD1-NH2 3.45Å
345	V	92.9	Very high	89.4	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-67.3	-39.4	177	173.8	0	0	0	0	110.3	P309 I313 T336 C339 S342 E343 E348 A349	P309-V345 HydrophobicContact CB-CG2 3.52Å; I313-V345 HydrophobicContact CD1-CG2 3.99Å; I313-V345 HydrophobicContact CG1-CG2 3.9Å; T336-V345 HydrophobicContact CG2-CG1 3.75Å; C339-V345 HydrophobicContact CB-CG2 4.47Å; S342-V345 WeakPolarHBondContact OG-CG2 3.43Å; E343-V345 VanDerWaalsContact C-N 3.35Å; E343-V345 PolarHBondContact O-N 3.45Å; V345-E348 PolarHBondContact O-N 3.04Å; V345-A349 VanDerWaalsContact O-CB 3.26Å; V345-A349 WeakPolarHBondContact O-CB 3.29Å; V345-A349 PolarHBondContact O-N 2.87Å
346	W	92.1	Very high	89.2	Confident	8 Å²	8	46.8 Å²	46.8	3%	0.03	24%	0.242	C	C	.	.	H	α-helix	trans	-68.8	-37.3	175.7	-73.8	113.2	0	0	0	112.7	T336 P340 E343 D344 A349 A350 V361 Q364 A365 H368 I375	T336-W346 HydrophobicContact CG2-CD2 3.74Å; T336-W346 HydrophobicContact CG2-CE3 3.49Å; T336-W346 VanDerWaalsContact CG2-CE3 3.49Å; T336-W346 HydrophobicContact CG2-CG 4.41Å; T336-W346 HydrophobicContact CG2-CH2 4.19Å; T336-W346 HydrophobicContact CG2-CZ2 4.39Å; T336-W346 HydrophobicContact CG2-CZ3 3.74Å; P340-W346 PolarHBondContact O-NE1 2.87Å; E343-W346 PolarHBondContact O-N 3.09Å; D344-W346 VanDerWaalsContact C-N 3.34Å; W346-A349 PolarHBondContact O-N 2.69Å; W346-A350 WeakPolarHBondContact O-CB 3.41Å; W346-A350 PolarHBondContact O-N 2.83Å; W346-V361 HydrophobicContact CE3-CG1 3.8Å; W346-V361 HydrophobicContact CZ3-CG1 3.98Å; W346-V361 WeakPolarHBondContact CZ3-O 3.38Å; W346-Q364 HydrophobicContact CH2-CB 3.71Å; W346-Q364 HydrophobicContact CZ3-CB 3.77Å; W346-A365 HydrophobicContact CB-CB 3.66Å; W346-A365 HydrophobicContact CD2-CB 3.51Å; W346-A365 HydrophobicContact CE3-CB 3.57Å; W346-A365 HydrophobicContact CG-CB 3.57Å; W346-A365 HydrophobicContact CZ3-CB 4.35Å; W346-H368 AromaticContact CZ2-CD2 3.62Å; W346-I375 HydrophobicContact CB-CD1 4.23Å
347	L	90.9	Very high	89.2	Confident	35 Å²	35	50 Å²	50	18%	0.183	26%	0.261	C	S	.	.	H	α-helix	trans	-65.4	-44.1	174.1	-69.8	173.8	0	0	0	111.7	E343 D344 A349 A350 R351 R374 I375 R378	E343-L347 WeakPolarHBondContact O-CG 3.49Å; E343-L347 PolarHBondContact O-N 2.95Å; D344-L347 PolarHBondContact O-N 3.06Å; L347-A349 PolarHBondContact O-N 3.41Å; L347-A350 PolarHBondContact O-N 2.88Å; L347-R351 WeakPolarHBondContact O-CB 3.3Å; L347-R351 PolarHBondContact O-N 3.47Å; L347-R374 HydrophobicContact CD1-CB 3.76Å; L347-R374 HydrophobicContact CD2-CB 4.24Å; L347-I375 HydrophobicContact CD2-CG1 4.16Å; L347-I375 HydrophobicContact CG-CG1 4.43Å; L347-R378 HydrophobicContact CD2-CB 3.83Å; L347-R378 HydrophobicContact CD2-CG 4.3Å
348	E	89.1	Confident	89.3	Confident	8 Å²	8	44.1 Å²	44.1	4%	0.037	23%	0.234	C	C	.	.	H	α-helix	trans	-63.2	-36.8	174.6	-163.2	64.2	-137.7	0	0	110.9	I313 R317 I332 D344 V345 R351 L352	I313-E348 HydrophobicContact CG1-CB 4.32Å; I313-E348 HydrophobicContact CG2-CG 4.18Å; R317-E348 IonicContact CZ-OE2 2.98Å; R317-E348 VanDerWaalsContact CZ-OE2 3.3Å; R317-E348 IonicContact NE-OE1 2.74Å; R317-E348 IonicContact NE-OE2 3.81Å; R317-E348 PolarHBondContact NE-OE2 3.41Å; R317-E348 IonicContact NH2-OE2 2.63Å; R317-E348 PolarHBondContact NH2-OE2 3.36Å; I332-E348 HydrophobicContact CG2-CG 4.25Å; D344-E348 WeakPolarHBondContact O-CB 3.41Å; D344-E348 PolarHBondContact O-N 3.43Å; V345-E348 PolarHBondContact O-N 3.04Å; E348-R351 PolarHBondContact O-N 3.23Å; E348-R351 IonicContact OE1-CZ 3.45Å; E348-R351 VanDerWaalsContact OE1-CZ 3.23Å; E348-R351 IonicContact OE1-NE 2.57Å; E348-R351 PolarHBondContact OE1-NE 3.41Å; E348-R351 IonicContact OE1-NH2 3.51Å; E348-R351 PolarHBondContact OE1-NH2 2.99Å; E348-L352 HydrophobicContact CG-CD1 4.22Å; E348-L352 PolarHBondContact O-N 3.43Å
349	A	90.9	Very high	89.3	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.4	-45.7	175.2	0	0	0	0	0	113.1	I332 T336 V345 W346 L347 R351 Q353 V361	I332-A349 HydrophobicContact CB-CB 4.35Å; I332-A349 VanDerWaalsContact CD1-CA 3.43Å; I332-A349 HydrophobicContact CD1-CB 3.87Å; T336-A349 HydrophobicContact CG2-CB 3.59Å; V345-A349 VanDerWaalsContact O-CB 3.26Å; V345-A349 WeakPolarHBondContact O-CB 3.29Å; V345-A349 PolarHBondContact O-N 2.87Å; W346-A349 PolarHBondContact O-N 2.69Å; L347-A349 PolarHBondContact O-N 3.41Å; A349-R351 PolarHBondContact O-N 3.36Å; A349-Q353 WeakPolarHBondContact O-CG 3.35Å; A349-Q353 PolarHBondContact O-N 3.01Å; A349-V361 HydrophobicContact CB-CG1 3.64Å
350	A	89.9	Confident	89.4	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.008	26%	0.257	C	S	.	.	H	α-helix	trans	-65.7	-21.7	174.6	0	0	0	0	0	113.5	W346 L347 A358 V362 R378 L382	W346-A350 WeakPolarHBondContact O-CB 3.41Å; W346-A350 PolarHBondContact O-N 2.83Å; L347-A350 PolarHBondContact O-N 2.88Å; A350-A358 WeakPolarHBondContact O-CB 3.48Å; A350-V362 HydrophobicContact CB-CG2 3.46Å; A350-V362 VanDerWaalsContact CB-CG2 3.46Å; A350-R378 HydrophobicContact CB-CG 3.98Å; A350-L382 HydrophobicContact CB-CD1 4.32Å
351	R	92.9	Very high	89.5	Confident	99 Å²	99	45.7 Å²	45.7	37%	0.374	25%	0.245	S	C	.	.	H	α-helix	trans	-83.9	-41.4	178.3	-166.8	-166.6	67.3	76.9	4.6	112.8	E320 L347 E348 A349	E320-R351 IonicContact OE1-CZ 3.93Å; E320-R351 VanDerWaalsContact OE1-CZ 3.32Å; E320-R351 IonicContact OE1-NH1 3.36Å; E320-R351 PolarHBondContact OE1-NH1 2.82Å; E320-R351 IonicContact OE1-NH2 3.18Å; E320-R351 PolarHBondContact OE1-NH2 3.29Å; E320-R351 IonicContact OE2-CZ 3.32Å; E320-R351 IonicContact OE2-NH1 3.5Å; E320-R351 IonicContact OE2-NH2 3.14Å; E320-R351 PolarHBondContact OE2-NH2 3.46Å; L347-R351 WeakPolarHBondContact O-CB 3.3Å; L347-R351 PolarHBondContact O-N 3.47Å; E348-R351 PolarHBondContact O-N 3.23Å; E348-R351 IonicContact OE1-CZ 3.45Å; E348-R351 VanDerWaalsContact OE1-CZ 3.23Å; E348-R351 IonicContact OE1-NE 2.57Å; E348-R351 PolarHBondContact OE1-NE 3.41Å; E348-R351 IonicContact OE1-NH2 3.51Å; E348-R351 PolarHBondContact OE1-NH2 2.99Å; A349-R351 PolarHBondContact O-N 3.36Å
352	L	90.6	Very high	89.7	Confident	9 Å²	9	37.4 Å²	37.4	5%	0.047	21%	0.209	C	C	.	.	H	α-helix	trans	-79.3	-23.4	-175.8	-75.1	171.1	0	0	0	113.9	A316 E320 L325 A328 R329 I332 E348	A316-L352 HydrophobicContact CB-CD1 3.94Å; E320-L352 HydrophobicContact CB-CD2 4.18Å; E320-L352 HydrophobicContact CG-CD2 4.25Å; L325-L352 HydrophobicContact CD2-CD2 4.44Å; A328-L352 HydrophobicContact CB-CD1 4.38Å; R329-L352 HydrophobicContact CG-CB 4.37Å; R329-L352 PolarHBondContact NE-O 3.3Å; I332-L352 HydrophobicContact CB-CD1 4.43Å; I332-L352 HydrophobicContact CD1-CB 3.7Å; I332-L352 HydrophobicContact CD1-CD1 3.84Å; I332-L352 HydrophobicContact CD1-CG 4.39Å; I332-L352 HydrophobicContact CG1-CD1 3.94Å; I332-L352 HydrophobicContact CG2-CD1 3.67Å; E348-L352 HydrophobicContact CG-CD1 4.22Å; E348-L352 PolarHBondContact O-N 3.43Å
353	Q	89.4	Confident	89.6	Confident	30 Å²	30	39.3 Å²	39.3	14%	0.14	23%	0.227	C	C	.	.	S	Bend	trans	-81.8	147.4	179.7	-66.8	-63.8	-14.9	0	0	111.9	I332 A349 A358 V361	I332-Q353 HydrophobicContact CD1-CG 4.31Å; A349-Q353 WeakPolarHBondContact O-CG 3.35Å; A349-Q353 PolarHBondContact O-N 3.01Å; Q353-A358 HydrophobicContact CB-CB 4.01Å; Q353-V361 HydrophobicContact CG-CG2 4.22Å
354	P	89.4	Confident	89.6	Confident	64 Å²	64	41.1 Å²	41.1	42%	0.416	24%	0.235	S	C	.	.			trans	-54.4	149.7	167.2	-24.7	33.9	0	0	0	112.1	D356 T357 A358	P354-D356 VanDerWaalsContact C-N 3.27Å; P354-D356 PolarHBondContact O-N 2.82Å; P354-T357 WeakPolarHBondContact CD-OG1 3.37Å; P354-T357 PolarHBondContact O-N 3.47Å; P354-T357 VanDerWaalsContact O-N 3.12Å; P354-T357 PolarHBondContact O-OG1 3.4Å; P354-T357 VanDerWaalsContact O-OG1 3.07Å; P354-A358 VanDerWaalsContact O-CB 3.29Å; P354-A358 WeakPolarHBondContact O-CB 3.29Å; P354-A358 PolarHBondContact O-N 3.05Å
355	G	81.9	Confident	89.5	Confident	36 Å²	36	37.6 Å²	37.6	37%	0.371	22%	0.216	S	C	.	.	H	α-helix	trans	-52.4	-36.3	-168.7	0	0	0	0	0	115.7	K359	G355-K359 WeakPolarHBondContact O-CG 3.04Å; G355-K359 PolarHBondContact O-N 3.15Å
356	D	85.6	Confident	89.3	Confident	123 Å²	123	39.2 Å²	39.2	66%	0.658	23%	0.226	S	C	*	.	H	α-helix	trans	-78.5	-37.7	-178.9	-64	-39.9	0	0	0	113.6	P354 K359	P354-D356 VanDerWaalsContact C-N 3.27Å; P354-D356 PolarHBondContact O-N 2.82Å; D356-K359 PolarHBondContact O-N 3.43Å; D356-K359 IonicContact OD1-NZ 2.72Å; D356-K359 PolarHBondContact OD1-NZ 3.17Å
357	T	88.8	Confident	89.1	Confident	68 Å²	68	49.2 Å²	49.2	42%	0.417	26%	0.264	S	S	.	.	H	α-helix	trans	-75.3	-30.6	173.4	57.5	0	0	0	0	111.2	P354 K359 A360 V361	P354-T357 WeakPolarHBondContact CD-OG1 3.37Å; P354-T357 PolarHBondContact O-N 3.47Å; P354-T357 VanDerWaalsContact O-N 3.12Å; P354-T357 PolarHBondContact O-OG1 3.4Å; P354-T357 VanDerWaalsContact O-OG1 3.07Å; T357-K359 VanDerWaalsContact C-N 3.28Å; T357-K359 PolarHBondContact O-N 3.47Å; T357-A360 WeakPolarHBondContact O-CB 3.49Å; T357-A360 PolarHBondContact O-N 3.35Å; T357-A360 VanDerWaalsContact O-N 3.12Å; T357-V361 WeakPolarHBondContact O-CG2 3.39Å; T357-V361 PolarHBondContact O-N 2.8Å
358	A	90	Very high	89	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.1	-36.9	172.9	0	0	0	0	0	111.9	A350 Q353 P354 A360 V361 V362 L382	A350-A358 WeakPolarHBondContact O-CB 3.48Å; Q353-A358 HydrophobicContact CB-CB 4.01Å; P354-A358 VanDerWaalsContact O-CB 3.29Å; P354-A358 WeakPolarHBondContact O-CB 3.29Å; P354-A358 PolarHBondContact O-N 3.05Å; A358-A360 VanDerWaalsContact C-N 3.33Å; A358-A360 PolarHBondContact O-N 3.25Å; A358-V361 PolarHBondContact O-N 3.24Å; A358-V362 WeakPolarHBondContact O-CG2 3.48Å; A358-V362 PolarHBondContact O-N 2.87Å; A358-L382 HydrophobicContact CB-CD1 3.74Å; A358-L382 HydrophobicContact CB-CD2 3.93Å; A358-L382 HydrophobicContact CB-CG 4.5Å
359	K	88.6	Confident	88.9	Confident	82 Å²	82	53.4 Å²	53.4	36%	0.357	28%	0.283	S	S	.	.	H	α-helix	trans	-59.6	-42.5	172.9	-69.1	163.5	-167.4	162.7	0	111.9	G355 D356 T357 V362 A363	G355-K359 WeakPolarHBondContact O-CG 3.04Å; G355-K359 PolarHBondContact O-N 3.15Å; D356-K359 PolarHBondContact O-N 3.43Å; D356-K359 IonicContact OD1-NZ 2.72Å; D356-K359 PolarHBondContact OD1-NZ 3.17Å; T357-K359 VanDerWaalsContact C-N 3.28Å; T357-K359 PolarHBondContact O-N 3.47Å; K359-V362 PolarHBondContact O-N 3Å; K359-A363 WeakPolarHBondContact O-CB 3.38Å; K359-A363 PolarHBondContact O-N 3.13Å
360	A	89.6	Confident	88.7	Confident	57 Å²	57	55.8 Å²	55.8	47%	0.471	30%	0.299	S	S	.	.	H	α-helix	trans	-66.2	-39.7	176.5	0	0	0	0	0	111.9	T357 A358 A363 Q364	T357-A360 WeakPolarHBondContact O-CB 3.49Å; T357-A360 PolarHBondContact O-N 3.35Å; T357-A360 VanDerWaalsContact O-N 3.12Å; A358-A360 VanDerWaalsContact C-N 3.33Å; A358-A360 PolarHBondContact O-N 3.25Å; A360-A363 WeakPolarHBondContact O-CB 3.41Å; A360-A363 PolarHBondContact O-N 3.49Å; A360-Q364 WeakPolarHBondContact O-CG 3.19Å; A360-Q364 PolarHBondContact O-N 3.37Å
361	V	90.4	Very high	88.5	Confident	7 Å²	7	61.5 Å²	61.5	4%	0.042	33%	0.325	C	S	.	.	H	α-helix	trans	-62.4	-43.5	173.8	171.8	0	0	0	0	111.1	M333 W346 A349 Q353 T357 A358 A363 Q364 A365	M333-V361 HydrophobicContact CE-CG2 4.16Å; M333-V361 HydrophobicContact SD-CG2 3.63Å; W346-V361 HydrophobicContact CE3-CG1 3.8Å; W346-V361 HydrophobicContact CZ3-CG1 3.98Å; W346-V361 WeakPolarHBondContact CZ3-O 3.38Å; A349-V361 HydrophobicContact CB-CG1 3.64Å; Q353-V361 HydrophobicContact CG-CG2 4.22Å; T357-V361 WeakPolarHBondContact O-CG2 3.39Å; T357-V361 PolarHBondContact O-N 2.8Å; A358-V361 PolarHBondContact O-N 3.24Å; V361-A363 VanDerWaalsContact C-N 3.35Å; V361-Q364 WeakPolarHBondContact O-CB 3.38Å; V361-Q364 PolarHBondContact O-N 2.59Å; V361-A365 WeakPolarHBondContact O-CB 3.31Å; V361-A365 PolarHBondContact O-N 3.04Å
362	V	89.7	Confident	88.3	Confident	7 Å²	7	56.9 Å²	56.9	4%	0.042	31%	0.308	C	S	.	.	H	α-helix	trans	-68.2	-35.5	176.9	178.6	0	0	0	0	111.5	A350 A358 K359 Q364 A365 V366 I375 A379 L382	A350-V362 HydrophobicContact CB-CG2 3.46Å; A350-V362 VanDerWaalsContact CB-CG2 3.46Å; A358-V362 WeakPolarHBondContact O-CG2 3.48Å; A358-V362 PolarHBondContact O-N 2.87Å; K359-V362 PolarHBondContact O-N 3Å; V362-Q364 VanDerWaalsContact C-N 3.29Å; V362-Q364 PolarHBondContact O-N 2.9Å; V362-A365 WeakPolarHBondContact O-CB 3.43Å; V362-A365 PolarHBondContact O-N 3.1Å; V362-A365 VanDerWaalsContact O-N 3.1Å; V362-V366 HydrophobicContact CG1-CG1 4.24Å; V362-V366 WeakPolarHBondContact O-CG2 3.5Å; V362-V366 PolarHBondContact O-N 2.92Å; V362-I375 HydrophobicContact CG1-CG2 3.63Å; V362-A379 HydrophobicContact CG1-CB 3.64Å; V362-L382 HydrophobicContact CG2-CD1 3.75Å
363	A	87.8	Confident	88.2	Confident	60 Å²	60	58.2 Å²	58.2	50%	0.496	32%	0.316	S	S	.	.	H	α-helix	trans	-61.2	-38.2	172.9	0	0	0	0	0	112.2	K359 A360 V361 V366 R367	K359-A363 WeakPolarHBondContact O-CB 3.38Å; K359-A363 PolarHBondContact O-N 3.13Å; A360-A363 WeakPolarHBondContact O-CB 3.41Å; A360-A363 PolarHBondContact O-N 3.49Å; V361-A363 VanDerWaalsContact C-N 3.35Å; A363-V366 VanDerWaalsContact O-CG2 3.3Å; A363-V366 WeakPolarHBondContact O-CG2 3.17Å; A363-R367 PolarHBondContact O-N 2.74Å
364	Q	88.9	Confident	88.2	Confident	94 Å²	94	61 Å²	61	44%	0.439	33%	0.325	S	S	.	.	H	α-helix	trans	-68	-41.4	171.1	-68.9	177.8	-10.6	0	0	111.4	W346 A360 V361 V362 R367 H368	W346-Q364 HydrophobicContact CH2-CB 3.71Å; W346-Q364 HydrophobicContact CZ3-CB 3.77Å; A360-Q364 WeakPolarHBondContact O-CG 3.19Å; A360-Q364 PolarHBondContact O-N 3.37Å; V361-Q364 WeakPolarHBondContact O-CB 3.38Å; V361-Q364 PolarHBondContact O-N 2.59Å; V362-Q364 VanDerWaalsContact C-N 3.29Å; V362-Q364 PolarHBondContact O-N 2.9Å; Q364-R367 WeakPolarHBondContact O-CB 3.39Å; Q364-R367 PolarHBondContact O-N 3.27Å; Q364-H368 PolarHBondContact O-CD2 3.4Å; Q364-H368 PolarHBondContact O-N 2.99Å; Q364-H368 VanDerWaalsContact O-N 3.15Å
365	A	90.3	Very high	88.3	Confident	1 Å²	1	58 Å²	58	1%	0.008	31%	0.306	C	S	.	.	H	α-helix	trans	-60.6	-47.3	179.4	0	0	0	0	0	112.5	W346 V361 V362 R367 H368 L369 I375	W346-A365 HydrophobicContact CB-CB 3.66Å; W346-A365 HydrophobicContact CD2-CB 3.51Å; W346-A365 HydrophobicContact CE3-CB 3.57Å; W346-A365 HydrophobicContact CG-CB 3.57Å; W346-A365 HydrophobicContact CZ3-CB 4.35Å; V361-A365 WeakPolarHBondContact O-CB 3.31Å; V361-A365 PolarHBondContact O-N 3.04Å; V362-A365 WeakPolarHBondContact O-CB 3.43Å; V362-A365 PolarHBondContact O-N 3.1Å; V362-A365 VanDerWaalsContact O-N 3.1Å; A365-R367 VanDerWaalsContact C-N 3.26Å; A365-R367 PolarHBondContact O-N 3.23Å; A365-H368 PolarHBondContact O-N 3.2Å; A365-H368 VanDerWaalsContact O-N 3.17Å; A365-L369 PolarHBondContact O-N 3.07Å; A365-I375 HydrophobicContact CB-CD1 4.04Å; A365-I375 HydrophobicContact CB-CG2 3.82Å
366	V	87.9	Confident	88.7	Confident	34 Å²	34	56.9 Å²	56.9	21%	0.206	29%	0.291	C	S	.	.	H	α-helix	trans	-67.5	-26.2	177.9	-60.6	0	0	0	0	112.5	V362 A363 L369 P370 I375 Y376	V362-V366 HydrophobicContact CG1-CG1 4.24Å; V362-V366 WeakPolarHBondContact O-CG2 3.5Å; V362-V366 PolarHBondContact O-N 2.92Å; A363-V366 VanDerWaalsContact O-CG2 3.3Å; A363-V366 WeakPolarHBondContact O-CG2 3.17Å; V366-L369 CarbonylContact O-C 3.59Å; V366-P370 VanDerWaalsContact O-CA 3.26Å; V366-P370 WeakPolarHBondContact O-CA 3.35Å; V366-P370 VanDerWaalsContact O-N 3.17Å; V366-I375 HydrophobicContact CG1-CG2 3.57Å; V366-Y376 HydrophobicContact CB-CE1 4.16Å; V366-Y376 HydrophobicContact CG1-CD1 4.02Å; V366-Y376 HydrophobicContact CG1-CE1 3.59Å; V366-Y376 HydrophobicContact CG1-CE2 4.41Å
367	R	89.3	Confident	88.9	Confident	218 Å²	218	51.9 Å²	51.9	82%	0.823	26%	0.263	S	S	*	.	H	α-helix	trans	-68.2	-37.5	173.1	-173.6	177.1	-176	171.7	1.6	111.8	A363 Q364 A365	A363-R367 PolarHBondContact O-N 2.74Å; Q364-R367 WeakPolarHBondContact O-CB 3.39Å; Q364-R367 PolarHBondContact O-N 3.27Å; A365-R367 VanDerWaalsContact C-N 3.26Å; A365-R367 PolarHBondContact O-N 3.23Å
368	H	87.4	Confident	88.9	Confident	102 Å²	102	51.8 Å²	51.8	47%	0.472	26%	0.256	S	S	.	.	H	α-helix	trans	-82.1	-34.1	176.6	-74.2	-71.2	0	0	0	112.9	W346 Q364 A365	W346-H368 AromaticContact CZ2-CD2 3.62Å; Q364-H368 PolarHBondContact O-CD2 3.4Å; Q364-H368 PolarHBondContact O-N 2.99Å; Q364-H368 VanDerWaalsContact O-N 3.15Å; A365-H368 PolarHBondContact O-N 3.2Å; A365-H368 VanDerWaalsContact O-N 3.17Å
369	L	87.6	Confident	88.8	Confident	30 Å²	30	52.5 Å²	52.5	16%	0.157	26%	0.262	C	S	.	.			trans	-132.9	74	-174.5	-67	171	0	0	0	110.7	E343 A365 V366 Q371 S372 I375	E343-L369 HydrophobicContact CB-CD1 4.45Å; E343-L369 HydrophobicContact CG-CD1 3.92Å; A365-L369 PolarHBondContact O-N 3.07Å; V366-L369 CarbonylContact O-C 3.59Å; L369-Q371 PolarHBondContact O-N 2.97Å; L369-S372 PolarHBondContact O-N 2.87Å; L369-I375 HydrophobicContact CB-CD1 4.03Å; L369-I375 HydrophobicContact CD1-CD1 4.08Å
370	P	85.9	Confident	88.8	Confident	50 Å²	50	49 Å²	49	33%	0.325	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-18	-177.3	28.3	-35.6	0	0	0	113.1	V366 Y376 H399	V366-P370 VanDerWaalsContact O-CA 3.26Å; V366-P370 WeakPolarHBondContact O-CA 3.35Å; V366-P370 VanDerWaalsContact O-N 3.17Å; P370-Y376 VanDerWaalsContact O-CE2 3.3Å; P370-Y376 WeakPolarHBondContact O-CE2 3.05Å; P370-Y376 PolarHBondContact O-OH 3.3Å; P370-H399 WeakPolarHBondContact O-CB 3.29Å
371	Q	86.3	Confident	88.8	Confident	121 Å²	121	51.5 Å²	51.5	57%	0.565	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	1.4	-178.2	-67.2	-64.6	-34.7	0	0	113.5	L369 V373 H399 V400	L369-Q371 PolarHBondContact O-N 2.97Å; Q371-V373 PolarHBondContact O-N 3.09Å; Q371-H399 PolarHBondContact NE2-O 3.19Å; Q371-H399 PolarHBondContact OE1-O 3.44Å; Q371-V400 VanDerWaalsContact C-CG2 3.45Å; Q371-V400 VanDerWaalsContact CA-CG2 3.41Å; Q371-V400 HydrophobicContact CB-CG2 4.28Å; Q371-V400 VanDerWaalsContact O-CG2 3.29Å; Q371-V400 WeakPolarHBondContact O-CG2 3.42Å
372	S	89.1	Confident	88.6	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.007	25%	0.254	C	S	.	.			trans	-86.4	112.1	-173.3	-172.7	0	0	0	0	113.1	E343 L369 R374 Y376	E343-S372 WeakPolarHBondContact CG-OG 3.39Å; E343-S372 WeakPolarHBondContact OE1-CA 3.34Å; E343-S372 WeakPolarHBondContact OE1-CB 3.41Å; E343-S372 PolarHBondContact OE1-OG 2.96Å; E343-S372 PolarHBondContact OE2-OG 3.3Å; L369-S372 PolarHBondContact O-N 2.87Å; S372-R374 PolarHBondContact O-N 3.41Å; S372-Y376 WeakPolarHBondContact O-CD2 3.46Å
373	V	88.8	Confident	88.5	Confident	37 Å²	37	53.8 Å²	53.8	22%	0.224	26%	0.26	C	S	.	.	H	α-helix	trans	-65.9	-35.6	179.3	-58.8	0	0	0	0	113	Q371 I375 Y376 I377 V400 S403 L406	Q371-V373 PolarHBondContact O-N 3.09Å; V373-I375 PolarHBondContact O-N 3.12Å; V373-Y376 PolarHBondContact O-N 3.49Å; V373-I377 VanDerWaalsContact O-CG1 3.31Å; V373-I377 WeakPolarHBondContact O-CG1 3.38Å; V373-I377 PolarHBondContact O-N 3.02Å; V373-I377 VanDerWaalsContact O-N 3.15Å; V373-V400 HydrophobicContact CG1-CB 4.46Å; V373-V400 HydrophobicContact CG1-CG1 3.81Å; V373-S403 WeakPolarHBondContact CG1-OG 3.29Å; V373-L406 HydrophobicContact CB-CD1 4.37Å; V373-L406 HydrophobicContact CB-CD2 4.46Å; V373-L406 HydrophobicContact CB-CG 4.13Å; V373-L406 HydrophobicContact CG1-CD1 4.05Å; V373-L406 HydrophobicContact CG1-CG 4.17Å
374	R	89.8	Confident	88.4	Confident	88 Å²	88	56.6 Å²	56.6	33%	0.332	27%	0.271	S	S	.	.	H	α-helix	trans	-70.3	-35.9	-174.6	-64.6	-173.2	-70	156.8	-1.5	111.7	E343 D344 L347 S372 I377 R378	E343-R374 IonicContact OE2-CZ 3.63Å; E343-R374 VanDerWaalsContact OE2-CZ 3.3Å; E343-R374 IonicContact OE2-NE 2.69Å; E343-R374 PolarHBondContact OE2-NE 2.9Å; E343-R374 VanDerWaalsContact OE2-NE 3.07Å; E343-R374 IonicContact OE2-NH2 3.59Å; E343-R374 PolarHBondContact OE2-NH2 3.38Å; D344-R374 IonicContact OD1-CZ 2.92Å; D344-R374 IonicContact OD1-NH1 3.99Å; D344-R374 PolarHBondContact OD1-NH1 3.36Å; D344-R374 IonicContact OD1-NH2 3.78Å; D344-R374 PolarHBondContact OD1-NH2 3.45Å; L347-R374 HydrophobicContact CD1-CB 3.76Å; L347-R374 HydrophobicContact CD2-CB 4.24Å; S372-R374 PolarHBondContact O-N 3.41Å; R374-I377 PolarHBondContact O-N 3.39Å; R374-R378 WeakPolarHBondContact O-CB 3.39Å; R374-R378 PolarHBondContact O-N 3.47Å
375	I	91.1	Very high	88.5	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-65.5	-43.1	178.5	-65.3	175.9	0	0	0	110.5	W346 L347 V362 A365 V366 L369 V373 R378 A379	W346-I375 HydrophobicContact CB-CD1 4.23Å; L347-I375 HydrophobicContact CD2-CG1 4.16Å; L347-I375 HydrophobicContact CG-CG1 4.43Å; V362-I375 HydrophobicContact CG1-CG2 3.63Å; A365-I375 HydrophobicContact CB-CD1 4.04Å; A365-I375 HydrophobicContact CB-CG2 3.82Å; V366-I375 HydrophobicContact CG1-CG2 3.57Å; L369-I375 HydrophobicContact CB-CD1 4.03Å; L369-I375 HydrophobicContact CD1-CD1 4.08Å; V373-I375 PolarHBondContact O-N 3.12Å; I375-R378 PolarHBondContact O-N 3.43Å; I375-A379 PolarHBondContact O-N 3.31Å
376	Y	90.8	Very high	88.5	Confident	13 Å²	13	61.7 Å²	61.7	5%	0.051	30%	0.301	C	S	.	.	H	α-helix	trans	-67.3	-37.9	177	-74.7	-67.1	0	0	0	113.6	V366 P370 S372 V373 R378 A379 A380 A396 H399	V366-Y376 HydrophobicContact CB-CE1 4.16Å; V366-Y376 HydrophobicContact CG1-CD1 4.02Å; V366-Y376 HydrophobicContact CG1-CE1 3.59Å; V366-Y376 HydrophobicContact CG1-CE2 4.41Å; P370-Y376 VanDerWaalsContact O-CE2 3.3Å; P370-Y376 WeakPolarHBondContact O-CE2 3.05Å; P370-Y376 PolarHBondContact O-OH 3.3Å; S372-Y376 WeakPolarHBondContact O-CD2 3.46Å; V373-Y376 PolarHBondContact O-N 3.49Å; Y376-R378 VanDerWaalsContact C-N 3.3Å; Y376-A379 WeakPolarHBondContact O-CB 3.27Å; Y376-A379 PolarHBondContact O-N 2.89Å; Y376-A380 PolarHBondContact O-N 3.49Å; Y376-A396 VanDerWaalsContact CB-CB 3.46Å; Y376-A396 HydrophobicContact CD1-CB 3.5Å; Y376-A396 VanDerWaalsContact CD1-CB 3.5Å; Y376-A396 HydrophobicContact CD2-CB 3.76Å; Y376-A396 HydrophobicContact CE1-CB 4.15Å; Y376-A396 HydrophobicContact CE2-CB 4.38Å; Y376-A396 HydrophobicContact CG-CB 3.29Å; Y376-H399 HydrophobicContact CE2-CB 4.37Å; Y376-H399 AromaticContact CZ-CD2 3.94Å; Y376-H399 PolarHBondContact OH-CD2 3Å
377	I	90.1	Very high	88.6	Confident	17 Å²	17	70.3 Å²	70.3	9%	0.087	33%	0.329	C	S	.	.	H	α-helix	trans	-63.1	-43.2	173.7	-65.1	166.1	0	0	0	109.6	V373 R374 A379 A380 E381 R405 L406	V373-I377 VanDerWaalsContact O-CG1 3.31Å; V373-I377 WeakPolarHBondContact O-CG1 3.38Å; V373-I377 PolarHBondContact O-N 3.02Å; V373-I377 VanDerWaalsContact O-N 3.15Å; R374-I377 PolarHBondContact O-N 3.39Å; I377-A379 VanDerWaalsContact C-N 3.33Å; I377-A379 PolarHBondContact O-N 3.2Å; I377-A380 WeakPolarHBondContact O-CB 3.22Å; I377-A380 PolarHBondContact O-N 2.89Å; I377-A380 VanDerWaalsContact O-N 3.12Å; I377-E381 WeakPolarHBondContact O-CG 3.38Å; I377-E381 PolarHBondContact O-N 2.75Å; I377-R405 HydrophobicContact CD1-CB 4.18Å; I377-R405 HydrophobicContact CD1-CG 3.48Å; I377-R405 VanDerWaalsContact CD1-CG 3.48Å; I377-R405 VanDerWaalsContact CD1-NE 3.29Å; I377-L406 HydrophobicContact CD1-CD2 4.3Å; I377-L406 HydrophobicContact CG1-CD2 3.74Å
378	R	88.4	Confident	88.6	Confident	67 Å²	67	60.4 Å²	60.4	25%	0.253	29%	0.294	S	S	.	.	H	α-helix	trans	-63.9	-37.3	175.8	-174.1	57.4	-175.7	170.7	5	112.4	L347 A350 R374 I375 Y376 A380 E381 L382	L347-R378 HydrophobicContact CD2-CB 3.83Å; L347-R378 HydrophobicContact CD2-CG 4.3Å; A350-R378 HydrophobicContact CB-CG 3.98Å; R374-R378 WeakPolarHBondContact O-CB 3.39Å; R374-R378 PolarHBondContact O-N 3.47Å; I375-R378 PolarHBondContact O-N 3.43Å; Y376-R378 VanDerWaalsContact C-N 3.3Å; R378-A380 VanDerWaalsContact C-N 3.34Å; R378-E381 WeakPolarHBondContact CD-OE2 3.33Å; R378-E381 IonicContact CZ-OE2 2.78Å; R378-E381 IonicContact NH1-OE2 2.76Å; R378-E381 PolarHBondContact NH1-OE2 3.47Å; R378-E381 PolarHBondContact O-N 3.24Å; R378-L382 HydrophobicContact CG-CD1 4.4Å; R378-L382 VanDerWaalsContact O-CG 3.28Å; R378-L382 WeakPolarHBondContact O-CG 3.48Å; R378-L382 PolarHBondContact O-N 3.4Å
379	A	88.3	Confident	88.7	Confident	15 Å²	15	58 Å²	58	12%	0.124	28%	0.282	C	S	.	.	H	α-helix	trans	-59.6	-44.7	170.6	0	0	0	0	0	111.9	V362 I375 Y376 I377 E381 L382 E383 V392	V362-A379 HydrophobicContact CG1-CB 3.64Å; I375-A379 PolarHBondContact O-N 3.31Å; Y376-A379 WeakPolarHBondContact O-CB 3.27Å; Y376-A379 PolarHBondContact O-N 2.89Å; I377-A379 VanDerWaalsContact C-N 3.33Å; I377-A379 PolarHBondContact O-N 3.2Å; A379-E381 VanDerWaalsContact C-N 3.3Å; A379-E381 PolarHBondContact O-N 2.88Å; A379-L382 PolarHBondContact O-N 3.13Å; A379-E383 PolarHBondContact O-N 3.11Å; A379-V392 HydrophobicContact CB-CG1 3.57Å
380	A	87.7	Confident	88.8	Confident	9 Å²	9	58.6 Å²	58.6	7%	0.074	28%	0.284	C	S	.	.	H	α-helix	trans	-64.6	-33.6	177.8	0	0	0	0	0	112.3	Y376 I377 R378 K389 L393	Y376-A380 PolarHBondContact O-N 3.49Å; I377-A380 WeakPolarHBondContact O-CB 3.22Å; I377-A380 PolarHBondContact O-N 2.89Å; I377-A380 VanDerWaalsContact O-N 3.12Å; R378-A380 VanDerWaalsContact C-N 3.34Å; A380-K389 VanDerWaalsContact O-CD 3.32Å; A380-K389 WeakPolarHBondContact O-CD 3.39Å; A380-K389 WeakPolarHBondContact O-CE 3.4Å; A380-K389 VanDerWaalsContact O-CG 3.27Å; A380-K389 WeakPolarHBondContact O-CG 3.09Å; A380-L393 HydrophobicContact CB-CD1 3.91Å; A380-L393 HydrophobicContact CB-CD2 3.89Å; A380-L393 HydrophobicContact CB-CG 3.8Å
381	E	88.8	Confident	88.9	Confident	108 Å²	108	64.2 Å²	64.2	51%	0.505	30%	0.298	S	S	.	.	H	α-helix	trans	-70.4	-32.7	173.7	-70.9	171.1	-173.9	0	0	113.3	I377 R378 A379 E383	I377-E381 WeakPolarHBondContact O-CG 3.38Å; I377-E381 PolarHBondContact O-N 2.75Å; R378-E381 WeakPolarHBondContact CD-OE2 3.33Å; R378-E381 IonicContact CZ-OE2 2.78Å; R378-E381 IonicContact NH1-OE2 2.76Å; R378-E381 PolarHBondContact NH1-OE2 3.47Å; R378-E381 PolarHBondContact O-N 3.24Å; A379-E381 VanDerWaalsContact C-N 3.3Å; A379-E381 PolarHBondContact O-N 2.88Å; E381-E383 VanDerWaalsContact C-N 3.29Å
382	L	87.4	Confident	89.1	Confident	24 Å²	24	59.5 Å²	59.5	13%	0.126	28%	0.278	C	S	.	.	H	α-helix	trans	-75.2	-18	-179.5	-75	172.5	0	0	0	113.5	A350 A358 V362 R378 A379	A350-L382 HydrophobicContact CB-CD1 4.32Å; A358-L382 HydrophobicContact CB-CD1 3.74Å; A358-L382 HydrophobicContact CB-CD2 3.93Å; A358-L382 HydrophobicContact CB-CG 4.5Å; V362-L382 HydrophobicContact CG2-CD1 3.75Å; R378-L382 HydrophobicContact CG-CD1 4.4Å; R378-L382 VanDerWaalsContact O-CG 3.28Å; R378-L382 WeakPolarHBondContact O-CG 3.48Å; R378-L382 PolarHBondContact O-N 3.4Å; A379-L382 PolarHBondContact O-N 3.13Å
383	E	86.2	Confident	89.1	Confident	39 Å²	39	59.5 Å²	59.5	18%	0.182	28%	0.278	C	S	.	.			trans	-85.9	135.6	173.1	-68.3	-178.7	153.1	0	0	109.9	A379 E381 A388 K389 V392	A379-E383 PolarHBondContact O-N 3.11Å; E381-E383 VanDerWaalsContact C-N 3.29Å; E383-A388 HydrophobicContact CB-CB 4.14Å; E383-A388 VanDerWaalsContact CD-CB 3.47Å; E383-A388 HydrophobicContact CG-CB 4.17Å; E383-A388 VanDerWaalsContact OE2-CB 3.31Å; E383-A388 WeakPolarHBondContact OE2-CB 3.09Å; E383-K389 HydrophobicContact CB-CG 3.93Å; E383-K389 WeakPolarHBondContact O-CE 3.32Å; E383-K389 PolarHBondContact O-NZ 2.91Å; E383-K389 VanDerWaalsContact OE2-CA 3.23Å; E383-K389 WeakPolarHBondContact OE2-CA 3.17Å; E383-K389 PolarHBondContact OE2-N 3.44Å; E383-V392 WeakPolarHBondContact OE1-CG2 3.49Å; E383-V392 WeakPolarHBondContact OE2-CG2 3.48Å
384	T	86	Confident	89.1	Confident	118 Å²	118	64.1 Å²	64.1	72%	0.724	29%	0.291	S	S	*	.			trans	-84.1	-31.7	175.2	48.8	0	0	0	0	111.3
385	D	92	Very high	89	Confident	105 Å²	105	66 Å²	66	56%	0.561	30%	0.302	S	S	*	.	S	Bend	trans	-90.2	125.6	-169.1	-55.9	-11.9	0	0	0	111	R387 A388 K389	D385-R387 PolarHBondContact O-N 3.31Å; D385-A388 HydrophobicContact CB-CB 4.14Å; D385-A388 WeakPolarHBondContact O-CB 3.44Å; D385-A388 PolarHBondContact O-N 2.83Å; D385-K389 WeakPolarHBondContact O-CG 3.32Å; D385-K389 PolarHBondContact O-N 2.94Å
386	I	89.9	Confident	89	Confident	98 Å²	98	66 Å²	66	50%	0.503	30%	0.301	S	S	.	.	H	α-helix	trans	-56.7	-38	-179.2	-54.9	177.5	0	0	0	111.5	A388 K389 K390 L413	I386-A388 VanDerWaalsContact C-N 3.33Å; I386-A388 PolarHBondContact O-N 3.17Å; I386-K389 PolarHBondContact O-N 2.92Å; I386-K390 HydrophobicContact CG2-CD 4.36Å; I386-K390 HydrophobicContact CG2-CG 4.43Å; I386-K390 WeakPolarHBondContact O-CG 3.12Å; I386-K390 PolarHBondContact O-N 3.2Å; I386-L413 HydrophobicContact CG2-CB 4.36Å
387	R	89.8	Confident	88.8	Confident	214 Å²	214	66.1 Å²	66.1	81%	0.808	30%	0.303	S	S	*	.	H	α-helix	trans	-63.6	-37.9	177.2	-65.6	-179.2	-177.9	171.6	0.5	112.5	D385 R391	D385-R387 PolarHBondContact O-N 3.31Å; R387-R391 WeakPolarHBondContact O-CG 3.34Å; R387-R391 PolarHBondContact O-N 3Å
388	A	88.8	Confident	88.8	Confident	10 Å²	10	72.7 Å²	72.7	8%	0.083	33%	0.334	C	S	.	.	H	α-helix	trans	-67.7	-47.7	175.3	0	0	0	0	0	109.4	E383 D385 I386 K390 R391 V392	E383-A388 HydrophobicContact CB-CB 4.14Å; E383-A388 VanDerWaalsContact CD-CB 3.47Å; E383-A388 HydrophobicContact CG-CB 4.17Å; E383-A388 VanDerWaalsContact OE2-CB 3.31Å; E383-A388 WeakPolarHBondContact OE2-CB 3.09Å; D385-A388 HydrophobicContact CB-CB 4.14Å; D385-A388 WeakPolarHBondContact O-CB 3.44Å; D385-A388 PolarHBondContact O-N 2.83Å; I386-A388 VanDerWaalsContact C-N 3.33Å; I386-A388 PolarHBondContact O-N 3.17Å; A388-K390 VanDerWaalsContact C-N 3.3Å; A388-K390 PolarHBondContact O-N 3.39Å; A388-R391 WeakPolarHBondContact O-CA 3.46Å; A388-R391 WeakPolarHBondContact O-CB 3.39Å; A388-R391 PolarHBondContact O-N 3.44Å; A388-V392 PolarHBondContact O-N 3.4Å
389	K	90.2	Very high	88.7	Confident	51 Å²	51	73.5 Å²	73.5	22%	0.222	34%	0.34	C	S	.	.	H	α-helix	trans	-55	-45.7	179.1	-64	-172.1	179.9	-168.7	0	112.1	A380 E383 D385 I386 R391 V392 L393 L413	A380-K389 VanDerWaalsContact O-CD 3.32Å; A380-K389 WeakPolarHBondContact O-CD 3.39Å; A380-K389 WeakPolarHBondContact O-CE 3.4Å; A380-K389 VanDerWaalsContact O-CG 3.27Å; A380-K389 WeakPolarHBondContact O-CG 3.09Å; E383-K389 HydrophobicContact CB-CG 3.93Å; E383-K389 WeakPolarHBondContact O-CE 3.32Å; E383-K389 PolarHBondContact O-NZ 2.91Å; E383-K389 VanDerWaalsContact OE2-CA 3.23Å; E383-K389 WeakPolarHBondContact OE2-CA 3.17Å; E383-K389 PolarHBondContact OE2-N 3.44Å; D385-K389 WeakPolarHBondContact O-CG 3.32Å; D385-K389 PolarHBondContact O-N 2.94Å; I386-K389 PolarHBondContact O-N 2.92Å; K389-R391 VanDerWaalsContact C-N 3.33Å; K389-R391 PolarHBondContact O-N 2.99Å; K389-V392 PolarHBondContact O-N 3.01Å; K389-L393 WeakPolarHBondContact O-CB 3.37Å; K389-L393 WeakPolarHBondContact O-CG 3.38Å; K389-L393 PolarHBondContact O-N 2.91Å; K389-L413 HydrophobicContact CB-CD1 3.54Å; K389-L413 HydrophobicContact CD-CD1 4.2Å; K389-L413 HydrophobicContact CD-CD2 4.23Å
390	K	89.4	Confident	88.8	Confident	44 Å²	44	73 Å²	73	19%	0.191	34%	0.335	C	S	.	.	H	α-helix	trans	-58.1	-43.4	174.9	-72.6	179.5	-176.5	-164.6	0	111.6	I386 A388 R394 L413 E414	I386-K390 HydrophobicContact CG2-CD 4.36Å; I386-K390 HydrophobicContact CG2-CG 4.43Å; I386-K390 WeakPolarHBondContact O-CG 3.12Å; I386-K390 PolarHBondContact O-N 3.2Å; A388-K390 VanDerWaalsContact C-N 3.3Å; A388-K390 PolarHBondContact O-N 3.39Å; K390-R394 VanDerWaalsContact O-CB 3.31Å; K390-R394 WeakPolarHBondContact O-CB 3.35Å; K390-R394 WeakPolarHBondContact O-CG 3.02Å; K390-R394 PolarHBondContact O-N 2.74Å; K390-L413 WeakPolarHBondContact CE-O 3.34Å; K390-L413 HydrophobicContact CG-CB 4.29Å; K390-L413 PolarHBondContact NZ-O 2.99Å; K390-E414 WeakPolarHBondContact CD-OE2 3.49Å; K390-E414 WeakPolarHBondContact CE-OE2 3.46Å; K390-E414 IonicContact NZ-OE2 2.64Å; K390-E414 PolarHBondContact NZ-OE2 2.77Å
391	R	88.9	Confident	88.7	Confident	167 Å²	167	75.3 Å²	75.3	63%	0.63	35%	0.35	S	S	*	.	H	α-helix	trans	-65.9	-42.7	177.2	-70.8	-174.8	-59.2	-165.5	1.6	112.2	R387 A388 K389 K395	R387-R391 WeakPolarHBondContact O-CG 3.34Å; R387-R391 PolarHBondContact O-N 3Å; A388-R391 WeakPolarHBondContact O-CA 3.46Å; A388-R391 WeakPolarHBondContact O-CB 3.39Å; A388-R391 PolarHBondContact O-N 3.44Å; K389-R391 VanDerWaalsContact C-N 3.33Å; K389-R391 PolarHBondContact O-N 2.99Å; R391-K395 WeakPolarHBondContact O-CG 3.18Å; R391-K395 PolarHBondContact O-N 3.35Å
392	V	90	Very high	88.7	Confident	23 Å²	23	75.7 Å²	75.7	14%	0.139	36%	0.355	C	S	.	.	H	α-helix	trans	-62.7	-46.9	176.8	166.8	0	0	0	0	110.9	A379 E383 A388 K389 K395 A396	A379-V392 HydrophobicContact CB-CG1 3.57Å; E383-V392 WeakPolarHBondContact OE1-CG2 3.49Å; E383-V392 WeakPolarHBondContact OE2-CG2 3.48Å; A388-V392 PolarHBondContact O-N 3.4Å; K389-V392 PolarHBondContact O-N 3.01Å; V392-K395 WeakPolarHBondContact O-CB 3.23Å; V392-K395 PolarHBondContact O-N 3.03Å; V392-A396 WeakPolarHBondContact O-CB 3.4Å; V392-A396 PolarHBondContact O-N 3.15Å
393	L	88.8	Confident	88.7	Confident	1 Å²	1	75.2 Å²	75.2	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-71.2	-32.3	-179.1	-69.1	168.1	0	0	0	112.4	A380 K389 A396 L397 L406 A409 A410 L413	A380-L393 HydrophobicContact CB-CD1 3.91Å; A380-L393 HydrophobicContact CB-CD2 3.89Å; A380-L393 HydrophobicContact CB-CG 3.8Å; K389-L393 WeakPolarHBondContact O-CB 3.37Å; K389-L393 WeakPolarHBondContact O-CG 3.38Å; K389-L393 PolarHBondContact O-N 2.91Å; L393-A396 WeakPolarHBondContact O-CB 3.42Å; L393-A396 PolarHBondContact O-N 2.89Å; L393-L397 WeakPolarHBondContact O-CB 3.11Å; L393-L397 VanDerWaalsContact O-CG 3.24Å; L393-L397 WeakPolarHBondContact O-CG 3.47Å; L393-L397 PolarHBondContact O-N 3.06Å; L393-L406 HydrophobicContact CD2-CD2 4.17Å; L393-A409 HydrophobicContact CD1-CB 4.25Å; L393-A409 WeakPolarHBondContact CD1-O 3.1Å; L393-A409 HydrophobicContact CD2-CB 4.24Å; L393-A410 HydrophobicContact CB-CB 4.12Å; L393-A410 HydrophobicContact CD1-CB 4.43Å; L393-L413 HydrophobicContact CD1-CD1 3.5Å
394	R	89.1	Confident	88.9	Confident	134 Å²	134	75.6 Å²	75.6	51%	0.506	36%	0.359	S	S	.	.	H	α-helix	trans	-63.1	-43.3	170.2	-74.9	173.2	-168.8	-163.8	2.1	111.8	K390 A396 L397 E398 E414	K390-R394 VanDerWaalsContact O-CB 3.31Å; K390-R394 WeakPolarHBondContact O-CB 3.35Å; K390-R394 WeakPolarHBondContact O-CG 3.02Å; K390-R394 PolarHBondContact O-N 2.74Å; R394-A396 VanDerWaalsContact C-N 3.3Å; R394-A396 PolarHBondContact O-N 3.17Å; R394-L397 PolarHBondContact O-N 2.84Å; R394-E398 PolarHBondContact O-N 3.49Å; R394-E414 IonicContact CZ-OE1 2.92Å; R394-E414 IonicContact NE-OE1 2.73Å; R394-E414 IonicContact NH2-OE1 3.73Å; R394-E414 PolarHBondContact NH2-OE1 3.49Å
395	K	87.9	Confident	89	Confident	128 Å²	128	76.8 Å²	76.8	56%	0.557	35%	0.35	S	S	*	.	H	α-helix	trans	-62.6	-38.5	171.7	-71.1	176.9	178.7	-174.4	0	111.7	R391 V392 L397 E398 H399	R391-K395 WeakPolarHBondContact O-CG 3.18Å; R391-K395 PolarHBondContact O-N 3.35Å; V392-K395 WeakPolarHBondContact O-CB 3.23Å; V392-K395 PolarHBondContact O-N 3.03Å; K395-L397 VanDerWaalsContact C-N 3.35Å; K395-L397 PolarHBondContact O-N 3.14Å; K395-E398 WeakPolarHBondContact O-CB 3.37Å; K395-E398 PolarHBondContact O-N 2.87Å; K395-H399 PolarHBondContact O-CD2 3.34Å; K395-H399 PolarHBondContact O-N 3.43Å; K395-H399 VanDerWaalsContact O-N 3.11Å
396	A	89.8	Confident	88.9	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-62.3	-43	176.4	0	0	0	0	0	111.9	Y376 V392 L393 R394 H399 V400 L406	Y376-A396 VanDerWaalsContact CB-CB 3.46Å; Y376-A396 HydrophobicContact CD1-CB 3.5Å; Y376-A396 VanDerWaalsContact CD1-CB 3.5Å; Y376-A396 HydrophobicContact CD2-CB 3.76Å; Y376-A396 HydrophobicContact CE1-CB 4.15Å; Y376-A396 HydrophobicContact CE2-CB 4.38Å; Y376-A396 HydrophobicContact CG-CB 3.29Å; V392-A396 WeakPolarHBondContact O-CB 3.4Å; V392-A396 PolarHBondContact O-N 3.15Å; L393-A396 WeakPolarHBondContact O-CB 3.42Å; L393-A396 PolarHBondContact O-N 2.89Å; R394-A396 VanDerWaalsContact C-N 3.3Å; R394-A396 PolarHBondContact O-N 3.17Å; A396-H399 PolarHBondContact O-N 3.38Å; A396-V400 PolarHBondContact O-N 3.49Å; A396-L406 HydrophobicContact CB-CD1 3.8Å; A396-L406 HydrophobicContact CB-CD2 4.04Å
397	L	87.9	Confident	88.9	Confident	16 Å²	16	67.8 Å²	67.8	8%	0.084	30%	0.302	C	S	.	.	H	α-helix	trans	-70.2	-30	177.5	-69.5	172.3	0	0	0	112.8	L393 R394 K395 H399 P401 L406 W407 A410 M422	L393-L397 WeakPolarHBondContact O-CB 3.11Å; L393-L397 VanDerWaalsContact O-CG 3.24Å; L393-L397 WeakPolarHBondContact O-CG 3.47Å; L393-L397 PolarHBondContact O-N 3.06Å; R394-L397 PolarHBondContact O-N 2.84Å; K395-L397 VanDerWaalsContact C-N 3.35Å; K395-L397 PolarHBondContact O-N 3.14Å; L397-H399 VanDerWaalsContact C-N 3.34Å; L397-P401 WeakPolarHBondContact O-CA 3.48Å; L397-P401 WeakPolarHBondContact O-CB 3.5Å; L397-L406 HydrophobicContact CD2-CB 3.72Å; L397-L406 HydrophobicContact CG-CB 4.49Å; L397-W407 HydrophobicContact CD1-CD2 4.16Å; L397-W407 HydrophobicContact CD1-CE3 3.69Å; L397-W407 HydrophobicContact CD1-CH2 4.08Å; L397-W407 HydrophobicContact CD1-CZ3 3.67Å; L397-W407 HydrophobicContact CD2-CD2 3.49Å; L397-W407 VanDerWaalsContact CD2-CD2 3.49Å; L397-W407 VanDerWaalsContact CD2-CE2 3.49Å; L397-W407 HydrophobicContact CD2-CE3 3.94Å; L397-W407 HydrophobicContact CD2-CG 3.82Å; L397-W407 HydrophobicContact CD2-CH2 4.34Å; L397-W407 HydrophobicContact CD2-CZ2 3.93Å; L397-W407 HydrophobicContact CD2-CZ3 4.35Å; L397-W407 HydrophobicContact CG-CD2 4.45Å; L397-W407 HydrophobicContact CG-CE3 4.45Å; L397-A410 HydrophobicContact CD1-CB 3.85Å; L397-M422 HydrophobicContact CD1-SD 4.49Å
398	E	89.8	Confident	88.9	Confident	156 Å²	156	60.8 Å²	60.8	73%	0.729	28%	0.277	S	S	*	.	H	α-helix	trans	-64.4	-39.8	170.6	-174.1	-179	173.2	0	0	111.4	R394 K395	R394-E398 PolarHBondContact O-N 3.49Å; K395-E398 WeakPolarHBondContact O-CB 3.37Å; K395-E398 PolarHBondContact O-N 2.87Å
399	H	87.2	Confident	88.9	Confident	84 Å²	84	61.3 Å²	61.3	39%	0.389	28%	0.281	S	S	.	.	H	α-helix	trans	-79.8	-40.9	178.4	-74.3	-64.3	0	0	0	113.9	P370 Q371 Y376 K395 A396 L397	P370-H399 WeakPolarHBondContact O-CB 3.29Å; Q371-H399 PolarHBondContact NE2-O 3.19Å; Q371-H399 PolarHBondContact OE1-O 3.44Å; Y376-H399 HydrophobicContact CE2-CB 4.37Å; Y376-H399 AromaticContact CZ-CD2 3.94Å; Y376-H399 PolarHBondContact OH-CD2 3Å; K395-H399 PolarHBondContact O-CD2 3.34Å; K395-H399 PolarHBondContact O-N 3.43Å; K395-H399 VanDerWaalsContact O-N 3.11Å; A396-H399 PolarHBondContact O-N 3.38Å; L397-H399 VanDerWaalsContact C-N 3.34Å
400	V	88.7	Confident	88.8	Confident	4 Å²	4	59.1 Å²	59.1	2%	0.024	27%	0.273	C	S	.	.			trans	-133.5	82	-175.2	-171.8	0	0	0	0	110.4	Q371 V373 A396 N402 S403 L406	Q371-V400 VanDerWaalsContact C-CG2 3.45Å; Q371-V400 VanDerWaalsContact CA-CG2 3.41Å; Q371-V400 HydrophobicContact CB-CG2 4.28Å; Q371-V400 VanDerWaalsContact O-CG2 3.29Å; Q371-V400 WeakPolarHBondContact O-CG2 3.42Å; V373-V400 HydrophobicContact CG1-CB 4.46Å; V373-V400 HydrophobicContact CG1-CG1 3.81Å; A396-V400 PolarHBondContact O-N 3.49Å; V400-N402 VanDerWaalsContact CG1-OD1 3.23Å; V400-N402 WeakPolarHBondContact CG1-OD1 3.49Å; V400-S403 PolarHBondContact O-OG 2.99Å; V400-L406 HydrophobicContact CB-CD1 4.03Å
401	P	86.5	Confident	88.8	Confident	58 Å²	58	58 Å²	58	38%	0.377	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-15.9	-177.3	29.6	-35.1	0	0	0	113.8	L397 S403 W407 C429	L397-P401 WeakPolarHBondContact O-CA 3.48Å; L397-P401 WeakPolarHBondContact O-CB 3.5Å; P401-S403 VanDerWaalsContact C-N 3.34Å; P401-S403 PolarHBondContact O-N 3.1Å; P401-W407 PolarHBondContact O-NE1 3.16Å; P401-C429 VanDerWaalsContact O-CB 3.24Å; P401-C429 WeakPolarHBondContact O-CB 3.32Å
402	N	87.9	Confident	88.7	Confident	115 Å²	115	57.4 Å²	57.4	62%	0.615	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	9.5	-173.8	65.3	-12.5	0	0	0	114.3	V400 C430	V400-N402 VanDerWaalsContact CG1-OD1 3.23Å; V400-N402 WeakPolarHBondContact CG1-OD1 3.49Å; N402-C430 PolarHBondContact O-SG 2.95Å
403	S	87.5	Confident	88.6	Confident	14 Å²	14	58.5 Å²	58.5	10%	0.098	28%	0.279	C	S	.	.			trans	-103.6	115.9	-174.7	69.6	0	0	0	0	112.9	V373 V400 P401 R405 L406 W407	V373-S403 WeakPolarHBondContact CG1-OG 3.29Å; V400-S403 PolarHBondContact O-OG 2.99Å; P401-S403 VanDerWaalsContact C-N 3.34Å; P401-S403 PolarHBondContact O-N 3.1Å; S403-R405 PolarHBondContact O-N 2.98Å; S403-L406 PolarHBondContact O-N 2.97Å; S403-L406 WeakPolarHBondContact OG-CB 3.48Å; S403-L406 VanDerWaalsContact OG-CD1 3.24Å; S403-L406 WeakPolarHBondContact OG-CD1 3.44Å; S403-L406 WeakPolarHBondContact OG-CG 3.4Å; S403-W407 PolarHBondContact O-N 3.11Å
404	V	90.3	Very high	88.5	Confident	48 Å²	48	59.4 Å²	59.4	29%	0.291	28%	0.283	S	S	.	.	H	α-helix	trans	-55.7	-37.1	177.4	64.3	0	0	0	0	112.7	L406 W407 K408 L436	V404-L406 PolarHBondContact O-N 3.06Å; V404-W407 PolarHBondContact O-N 3.19Å; V404-K408 WeakPolarHBondContact O-CG 3.46Å; V404-K408 PolarHBondContact O-N 3.1Å; V404-L436 HydrophobicContact CG2-CD1 4Å; V404-L436 HydrophobicContact CG2-CD2 4.39Å; V404-L436 HydrophobicContact CG2-CG 3.92Å
405	R	89.4	Confident	88.4	Confident	142 Å²	142	58.9 Å²	58.9	54%	0.536	29%	0.287	S	S	.	.	H	α-helix	trans	-69.7	-36	-173.6	-161.2	-179.2	169.9	162.4	-5.2	112.6	I377 S403 A409	I377-R405 HydrophobicContact CD1-CB 4.18Å; I377-R405 HydrophobicContact CD1-CG 3.48Å; I377-R405 VanDerWaalsContact CD1-CG 3.48Å; I377-R405 VanDerWaalsContact CD1-NE 3.29Å; S403-R405 PolarHBondContact O-N 2.98Å; R405-A409 WeakPolarHBondContact O-CB 3.43Å; R405-A409 PolarHBondContact O-N 2.9Å; R405-A409 VanDerWaalsContact O-N 3.15Å
406	L	89.4	Confident	88.3	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-70.7	-41.7	175.3	-70.1	-178.2	0	0	0	111.2	V373 I377 L393 A396 L397 V400 S403 V404 K408 A409 A410	V373-L406 HydrophobicContact CB-CD1 4.37Å; V373-L406 HydrophobicContact CB-CD2 4.46Å; V373-L406 HydrophobicContact CB-CG 4.13Å; V373-L406 HydrophobicContact CG1-CD1 4.05Å; V373-L406 HydrophobicContact CG1-CG 4.17Å; I377-L406 HydrophobicContact CD1-CD2 4.3Å; I377-L406 HydrophobicContact CG1-CD2 3.74Å; L393-L406 HydrophobicContact CD2-CD2 4.17Å; A396-L406 HydrophobicContact CB-CD1 3.8Å; A396-L406 HydrophobicContact CB-CD2 4.04Å; L397-L406 HydrophobicContact CD2-CB 3.72Å; L397-L406 HydrophobicContact CG-CB 4.49Å; V400-L406 HydrophobicContact CB-CD1 4.03Å; S403-L406 PolarHBondContact O-N 2.97Å; S403-L406 WeakPolarHBondContact OG-CB 3.48Å; S403-L406 VanDerWaalsContact OG-CD1 3.24Å; S403-L406 WeakPolarHBondContact OG-CD1 3.44Å; S403-L406 WeakPolarHBondContact OG-CG 3.4Å; V404-L406 PolarHBondContact O-N 3.06Å; L406-K408 PolarHBondContact O-N 3.32Å; L406-A409 PolarHBondContact O-N 3.37Å; L406-A410 WeakPolarHBondContact O-CB 3.46Å; L406-A410 PolarHBondContact O-N 3.28Å
407	W	90.6	Very high	88.1	Confident	14 Å²	14	62.9 Å²	62.9	5%	0.053	32%	0.315	C	S	.	.	H	α-helix	trans	-60.6	-44.1	175.8	-73.7	111.6	0	0	0	111.9	L397 P401 S403 V404 A410 V411 M422 R425 A426 C429 L436	L397-W407 HydrophobicContact CD1-CD2 4.16Å; L397-W407 HydrophobicContact CD1-CE3 3.69Å; L397-W407 HydrophobicContact CD1-CH2 4.08Å; L397-W407 HydrophobicContact CD1-CZ3 3.67Å; L397-W407 HydrophobicContact CD2-CD2 3.49Å; L397-W407 VanDerWaalsContact CD2-CD2 3.49Å; L397-W407 VanDerWaalsContact CD2-CE2 3.49Å; L397-W407 HydrophobicContact CD2-CE3 3.94Å; L397-W407 HydrophobicContact CD2-CG 3.82Å; L397-W407 HydrophobicContact CD2-CH2 4.34Å; L397-W407 HydrophobicContact CD2-CZ2 3.93Å; L397-W407 HydrophobicContact CD2-CZ3 4.35Å; L397-W407 HydrophobicContact CG-CD2 4.45Å; L397-W407 HydrophobicContact CG-CE3 4.45Å; P401-W407 PolarHBondContact O-NE1 3.16Å; S403-W407 PolarHBondContact O-N 3.11Å; V404-W407 PolarHBondContact O-N 3.19Å; W407-A410 PolarHBondContact O-N 3.1Å; W407-V411 VanDerWaalsContact O-CB 3.3Å; W407-V411 WeakPolarHBondContact O-CB 3.48Å; W407-V411 WeakPolarHBondContact O-CG2 3.41Å; W407-V411 PolarHBondContact O-N 3.38Å; W407-M422 HydrophobicContact CE3-CG 3.78Å; W407-M422 HydrophobicContact CZ3-CG 3.55Å; W407-M422 WeakPolarHBondContact CZ3-O 3.35Å; W407-R425 HydrophobicContact CH2-CB 4.02Å; W407-R425 HydrophobicContact CH2-CG 3.66Å; W407-R425 HydrophobicContact CZ2-CG 4.26Å; W407-R425 HydrophobicContact CZ3-CB 4.34Å; W407-R425 HydrophobicContact CZ3-CG 4.45Å; W407-A426 HydrophobicContact CB-CB 3.82Å; W407-A426 HydrophobicContact CD2-CB 3.35Å; W407-A426 HydrophobicContact CE3-CB 3.45Å; W407-A426 VanDerWaalsContact CE3-CB 3.45Å; W407-A426 HydrophobicContact CG-CB 3.53Å; W407-A426 HydrophobicContact CZ3-CB 4.15Å; W407-C429 HydrophobicContact CZ2-CB 4.23Å; W407-L436 HydrophobicContact CB-CD1 4.01Å; W407-L436 HydrophobicContact CB-CD2 4.12Å; W407-L436 HydrophobicContact CG-CD1 4.43Å
408	K	88.6	Confident	88	Confident	67 Å²	67	65.3 Å²	65.3	29%	0.291	33%	0.328	S	S	.	.	H	α-helix	trans	-57.4	-52.7	173.7	-74.8	-174.5	176.8	-172.7	0	112.4	V404 L406 A410 V411 E412 E435 L436	V404-K408 WeakPolarHBondContact O-CG 3.46Å; V404-K408 PolarHBondContact O-N 3.1Å; L406-K408 PolarHBondContact O-N 3.32Å; K408-A410 PolarHBondContact O-N 3.07Å; K408-V411 PolarHBondContact O-N 3.25Å; K408-E412 WeakPolarHBondContact O-CG 3.39Å; K408-E412 PolarHBondContact O-N 3.23Å; K408-E435 VanDerWaalsContact CE-CD 3.47Å; K408-E435 WeakPolarHBondContact CE-OE2 3.16Å; K408-E435 IonicContact NZ-OE1 3.01Å; K408-E435 PolarHBondContact NZ-OE1 2.06Å; K408-E435 IonicContact NZ-OE2 2.65Å; K408-E435 PolarHBondContact NZ-OE2 3.13Å; K408-L436 HydrophobicContact CG-CD2 4.03Å
409	A	88.2	Confident	87.8	Confident	21 Å²	21	58.1 Å²	58.1	17%	0.174	30%	0.295	C	S	.	.	H	α-helix	trans	-61.3	-32.3	-179	0	0	0	0	0	112.4	L393 R405 L406 L413	L393-A409 HydrophobicContact CD1-CB 4.25Å; L393-A409 WeakPolarHBondContact CD1-O 3.1Å; L393-A409 HydrophobicContact CD2-CB 4.24Å; R405-A409 WeakPolarHBondContact O-CB 3.43Å; R405-A409 PolarHBondContact O-N 2.9Å; R405-A409 VanDerWaalsContact O-N 3.15Å; L406-A409 PolarHBondContact O-N 3.37Å; A409-L413 WeakPolarHBondContact O-CG 3.46Å
410	A	89	Confident	87.8	Confident	5 Å²	5	58.8 Å²	58.8	4%	0.041	29%	0.294	C	S	.	.	H	α-helix	trans	-73.9	-45.4	175.7	0	0	0	0	0	111.8	L393 L397 L406 W407 K408 E412 L413 E414 M422	L393-A410 HydrophobicContact CB-CB 4.12Å; L393-A410 HydrophobicContact CD1-CB 4.43Å; L397-A410 HydrophobicContact CD1-CB 3.85Å; L406-A410 WeakPolarHBondContact O-CB 3.46Å; L406-A410 PolarHBondContact O-N 3.28Å; W407-A410 PolarHBondContact O-N 3.1Å; K408-A410 PolarHBondContact O-N 3.07Å; A410-E412 VanDerWaalsContact C-N 3.34Å; A410-E412 PolarHBondContact O-N 3.45Å; A410-L413 PolarHBondContact O-N 3.43Å; A410-E414 WeakPolarHBondContact O-CG 3.27Å; A410-M422 HydrophobicContact CB-SD 3.52Å; A410-M422 VanDerWaalsContact CB-SD 3.52Å
411	V	88.4	Confident	87.7	Confident	21 Å²	21	63 Å²	63	13%	0.127	32%	0.316	C	S	.	.	H	α-helix	trans	-63.8	-37.5	-179.1	168	0	0	0	0	111.9	W407 K408 L413 E414 A419 M422 L423	W407-V411 VanDerWaalsContact O-CB 3.3Å; W407-V411 WeakPolarHBondContact O-CB 3.48Å; W407-V411 WeakPolarHBondContact O-CG2 3.41Å; W407-V411 PolarHBondContact O-N 3.38Å; K408-V411 PolarHBondContact O-N 3.25Å; V411-L413 PolarHBondContact O-N 2.99Å; V411-L413 VanDerWaalsContact O-N 3.13Å; V411-E414 PolarHBondContact O-N 3.15Å; V411-A419 HydrophobicContact CG1-CB 4.12Å; V411-M422 HydrophobicContact CG2-CB 4.31Å; V411-M422 HydrophobicContact CG2-CG 4.16Å; V411-M422 HydrophobicContact CG2-SD 4.21Å; V411-L423 HydrophobicContact CB-CD2 4.45Å; V411-L423 HydrophobicContact CB-CG 4.46Å; V411-L423 HydrophobicContact CG1-CD1 3.87Å; V411-L423 HydrophobicContact CG1-CD2 4.06Å; V411-L423 HydrophobicContact CG1-CG 3.86Å; V411-L423 HydrophobicContact CG2-CD2 3.75Å; V411-L423 HydrophobicContact CG2-CG 3.7Å
412	E	87.7	Confident	87.8	Confident	155 Å²	155	61.5 Å²	61.5	72%	0.724	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.2	177.2	-76.2	171.7	-170	0	0	113.9	K408 A410	K408-E412 WeakPolarHBondContact O-CG 3.39Å; K408-E412 PolarHBondContact O-N 3.23Å; A410-E412 VanDerWaalsContact C-N 3.34Å; A410-E412 PolarHBondContact O-N 3.45Å
413	L	87.6	Confident	87.7	Confident	45 Å²	45	56 Å²	56	24%	0.236	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-11.6	-179	-59.7	175.7	0	0	0	113.5	I386 K389 K390 L393 A409 A410 V411	I386-L413 HydrophobicContact CG2-CB 4.36Å; K389-L413 HydrophobicContact CB-CD1 3.54Å; K389-L413 HydrophobicContact CD-CD1 4.2Å; K389-L413 HydrophobicContact CD-CD2 4.23Å; K390-L413 WeakPolarHBondContact CE-O 3.34Å; K390-L413 HydrophobicContact CG-CB 4.29Å; K390-L413 PolarHBondContact NZ-O 2.99Å; L393-L413 HydrophobicContact CD1-CD1 3.5Å; A409-L413 WeakPolarHBondContact O-CG 3.46Å; A410-L413 PolarHBondContact O-N 3.43Å; V411-L413 PolarHBondContact O-N 2.99Å; V411-L413 VanDerWaalsContact O-N 3.13Å
414	E	86.3	Confident	87.7	Confident	20 Å²	20	57.6 Å²	57.6	9%	0.093	29%	0.286	C	S	.	.	S	Bend	trans	-96.1	153.4	-175.2	-61.5	-70	-172.3	0	0	111.2	K390 R394 A410 V411 D418 A419 M422	K390-E414 WeakPolarHBondContact CD-OE2 3.49Å; K390-E414 WeakPolarHBondContact CE-OE2 3.46Å; K390-E414 IonicContact NZ-OE2 2.64Å; K390-E414 PolarHBondContact NZ-OE2 2.77Å; R394-E414 IonicContact CZ-OE1 2.92Å; R394-E414 IonicContact NE-OE1 2.73Å; R394-E414 IonicContact NH2-OE1 3.73Å; R394-E414 PolarHBondContact NH2-OE1 3.49Å; A410-E414 WeakPolarHBondContact O-CG 3.27Å; V411-E414 PolarHBondContact O-N 3.15Å; E414-D418 HydrophobicContact CB-CB 4.05Å; E414-A419 HydrophobicContact CB-CB 4.21Å; E414-M422 HydrophobicContact CG-CE 3.77Å; E414-M422 HydrophobicContact CG-SD 4.17Å; E414-M422 WeakPolarHBondContact OE1-CE 3.48Å
415	E	88.3	Confident	87.7	Confident	124 Å²	124	62 Å²	62	58%	0.579	30%	0.297	S	S	*	.			trans	-70.8	158	173.5	-74.1	-174.3	-161.6	0	0	110.4	E417 D418 A419	E415-E417 PolarHBondContact O-N 3.38Å; E415-D418 PolarHBondContact O-N 3.11Å; E415-D418 VanDerWaalsContact O-N 3.09Å; E415-A419 WeakPolarHBondContact O-CB 3.32Å; E415-A419 PolarHBondContact O-N 3.34Å
416	P	85.3	Confident	87.6	Confident	89 Å²	89	55.2 Å²	55.2	58%	0.578	27%	0.271	S	S	*	.	H	α-helix	trans	-56.7	-31.1	-169.1	19.8	-33.4	0	0	0	114.7	R420 L443	P416-R420 WeakPolarHBondContact O-CB 3.27Å; P416-R420 PolarHBondContact O-N 3.02Å; P416-R420 VanDerWaalsContact O-N 3.14Å; P416-L443 HydrophobicContact CB-CD2 4.11Å
417	E	84.5	Confident	87.6	Confident	122 Å²	122	55.5 Å²	55.5	57%	0.57	27%	0.273	S	S	*	.	H	α-helix	trans	-72.3	-46.7	176.1	57.9	173.3	-179.1	0	0	113.2	E415 R420 I421	E415-E417 PolarHBondContact O-N 3.38Å; E417-R420 WeakPolarHBondContact O-CB 3.37Å; E417-R420 PolarHBondContact O-N 2.96Å; E417-I421 WeakPolarHBondContact O-CG1 3.26Å; E417-I421 PolarHBondContact O-N 3.49Å
418	D	86	Confident	87.4	Confident	68 Å²	68	60.6 Å²	60.6	36%	0.364	30%	0.297	S	S	.	.	H	α-helix	trans	-70.2	-37.1	178	-79.2	-20.1	0	0	0	111	E414 E415 R420 I421 M422	E414-D418 HydrophobicContact CB-CB 4.05Å; E415-D418 PolarHBondContact O-N 3.11Å; E415-D418 VanDerWaalsContact O-N 3.09Å; D418-R420 VanDerWaalsContact C-N 3.33Å; D418-R420 PolarHBondContact O-N 2.92Å; D418-I421 PolarHBondContact O-N 3.39Å; D418-M422 VanDerWaalsContact O-CB 3.3Å; D418-M422 WeakPolarHBondContact O-CB 3.43Å; D418-M422 PolarHBondContact O-N 3.33Å
419	A	86.6	Confident	87.3	Confident	4 Å²	4	59 Å²	59	3%	0.033	29%	0.294	C	S	.	.	H	α-helix	trans	-60	-42.3	173.6	0	0	0	0	0	111.1	V411 E414 E415 M422 L423 L443	V411-A419 HydrophobicContact CG1-CB 4.12Å; E414-A419 HydrophobicContact CB-CB 4.21Å; E415-A419 WeakPolarHBondContact O-CB 3.32Å; E415-A419 PolarHBondContact O-N 3.34Å; A419-M422 PolarHBondContact O-N 3.42Å; A419-L423 VanDerWaalsContact O-CB 3.23Å; A419-L423 WeakPolarHBondContact O-CB 3.35Å; A419-L423 WeakPolarHBondContact O-CD1 3.44Å; A419-L423 WeakPolarHBondContact O-CG 3.32Å; A419-L423 PolarHBondContact O-N 3.43Å; A419-L443 HydrophobicContact CB-CD1 4.01Å
420	R	86.3	Confident	87.2	Confident	99 Å²	99	58.5 Å²	58.5	37%	0.374	29%	0.29	S	S	.	.	H	α-helix	trans	-62.5	-46.6	174.9	179	-174	63.7	86.9	1.2	111.8	P416 E417 D418 M422 L423 S424 L443 E444	P416-R420 WeakPolarHBondContact O-CB 3.27Å; P416-R420 PolarHBondContact O-N 3.02Å; P416-R420 VanDerWaalsContact O-N 3.14Å; E417-R420 WeakPolarHBondContact O-CB 3.37Å; E417-R420 PolarHBondContact O-N 2.96Å; D418-R420 VanDerWaalsContact C-N 3.33Å; D418-R420 PolarHBondContact O-N 2.92Å; R420-M422 VanDerWaalsContact C-N 3.33Å; R420-M422 PolarHBondContact O-N 2.89Å; R420-L423 PolarHBondContact O-N 2.95Å; R420-S424 PolarHBondContact O-N 2.8Å; R420-L443 HydrophobicContact CB-CB 4.49Å; R420-E444 HydrophobicContact CG-CG 3.86Å
421	I	88.1	Confident	87.1	Confident	92 Å²	92	60.8 Å²	60.8	47%	0.472	30%	0.304	S	S	.	.	H	α-helix	trans	-61.5	-46.1	177.7	-64.9	169.3	0	0	0	109.8	E417 D418 L423 S424 R425	E417-I421 WeakPolarHBondContact O-CG1 3.26Å; E417-I421 PolarHBondContact O-N 3.49Å; D418-I421 PolarHBondContact O-N 3.39Å; I421-L423 PolarHBondContact O-N 3.26Å; I421-S424 PolarHBondContact O-N 2.95Å; I421-S424 PolarHBondContact O-OG 3.42Å; I421-R425 PolarHBondContact O-N 3.47Å
422	M	86.9	Confident	87.1	Confident	26 Å²	26	65.3 Å²	65.3	13%	0.128	33%	0.332	C	S	.	.	H	α-helix	trans	-63.9	-40.6	178.7	-166	173.2	-72.8	0	0	111.9	L397 W407 A410 V411 E414 D418 A419 R420 R425 A426	L397-M422 HydrophobicContact CD1-SD 4.49Å; W407-M422 HydrophobicContact CE3-CG 3.78Å; W407-M422 HydrophobicContact CZ3-CG 3.55Å; W407-M422 WeakPolarHBondContact CZ3-O 3.35Å; A410-M422 HydrophobicContact CB-SD 3.52Å; A410-M422 VanDerWaalsContact CB-SD 3.52Å; V411-M422 HydrophobicContact CG2-CB 4.31Å; V411-M422 HydrophobicContact CG2-CG 4.16Å; V411-M422 HydrophobicContact CG2-SD 4.21Å; E414-M422 HydrophobicContact CG-CE 3.77Å; E414-M422 HydrophobicContact CG-SD 4.17Å; E414-M422 WeakPolarHBondContact OE1-CE 3.48Å; D418-M422 VanDerWaalsContact O-CB 3.3Å; D418-M422 WeakPolarHBondContact O-CB 3.43Å; D418-M422 PolarHBondContact O-N 3.33Å; A419-M422 PolarHBondContact O-N 3.42Å; R420-M422 VanDerWaalsContact C-N 3.33Å; R420-M422 PolarHBondContact O-N 2.89Å; M422-R425 PolarHBondContact O-N 2.99Å; M422-A426 WeakPolarHBondContact O-CB 3.44Å; M422-A426 PolarHBondContact O-N 2.98Å
423	L	87.5	Confident	87.1	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-65	-37.6	176.4	-79.3	166.9	0	0	0	112.4	V411 A419 R420 I421 R425 A426 V427 L436 A439 L440 L443	V411-L423 HydrophobicContact CB-CD2 4.45Å; V411-L423 HydrophobicContact CB-CG 4.46Å; V411-L423 HydrophobicContact CG1-CD1 3.87Å; V411-L423 HydrophobicContact CG1-CD2 4.06Å; V411-L423 HydrophobicContact CG1-CG 3.86Å; V411-L423 HydrophobicContact CG2-CD2 3.75Å; V411-L423 HydrophobicContact CG2-CG 3.7Å; A419-L423 VanDerWaalsContact O-CB 3.23Å; A419-L423 WeakPolarHBondContact O-CB 3.35Å; A419-L423 WeakPolarHBondContact O-CD1 3.44Å; A419-L423 WeakPolarHBondContact O-CG 3.32Å; A419-L423 PolarHBondContact O-N 3.43Å; R420-L423 PolarHBondContact O-N 2.95Å; I421-L423 PolarHBondContact O-N 3.26Å; L423-R425 VanDerWaalsContact C-N 3.27Å; L423-R425 PolarHBondContact O-N 3.42Å; L423-A426 WeakPolarHBondContact O-CA 3.45Å; L423-A426 WeakPolarHBondContact O-CB 3.33Å; L423-A426 PolarHBondContact O-N 3.48Å; L423-V427 WeakPolarHBondContact O-CG2 3.33Å; L423-V427 PolarHBondContact O-N 3.48Å; L423-L436 HydrophobicContact CD2-CB 4.37Å; L423-L436 HydrophobicContact CD2-CD2 3.88Å; L423-A439 HydrophobicContact CD1-CB 4.05Å; L423-A439 HydrophobicContact CD2-CB 4.19Å; L423-L440 HydrophobicContact CB-CB 4.05Å; L423-L440 HydrophobicContact CB-CD1 4.04Å; L423-L440 HydrophobicContact CB-CG 3.91Å; L423-L440 HydrophobicContact CD1-CB 4.42Å; L423-L440 WeakPolarHBondContact O-CD1 3.42Å; L423-L443 HydrophobicContact CD1-CD1 3.59Å
424	S	87.4	Confident	87	Confident	47 Å²	47	58.3 Å²	58.3	33%	0.329	30%	0.302	S	S	.	.	H	α-helix	trans	-58.3	-41.9	174.9	74.5	0	0	0	0	111.7	R420 I421 V427 E428	R420-S424 PolarHBondContact O-N 2.8Å; I421-S424 PolarHBondContact O-N 2.95Å; I421-S424 PolarHBondContact O-OG 3.42Å; S424-V427 VanDerWaalsContact O-CG2 3.23Å; S424-V427 WeakPolarHBondContact O-CG2 3.42Å; S424-E428 WeakPolarHBondContact O-CG 3.45Å; S424-E428 PolarHBondContact O-N 3.19Å
425	R	88.9	Confident	87.1	Confident	139 Å²	139	62 Å²	62	53%	0.525	32%	0.319	S	S	.	.	H	α-helix	trans	-70.9	-35.9	173.3	-171.3	56.5	176.1	173.2	2	112.3	W407 I421 M422 L423 E428 C429	W407-R425 HydrophobicContact CH2-CB 4.02Å; W407-R425 HydrophobicContact CH2-CG 3.66Å; W407-R425 HydrophobicContact CZ2-CG 4.26Å; W407-R425 HydrophobicContact CZ3-CB 4.34Å; W407-R425 HydrophobicContact CZ3-CG 4.45Å; I421-R425 PolarHBondContact O-N 3.47Å; M422-R425 PolarHBondContact O-N 2.99Å; L423-R425 VanDerWaalsContact C-N 3.27Å; L423-R425 PolarHBondContact O-N 3.42Å; R425-E428 WeakPolarHBondContact CD-OE2 3.44Å; R425-E428 IonicContact CZ-OE2 3.32Å; R425-E428 IonicContact NH1-OE2 3.58Å; R425-E428 PolarHBondContact NH1-OE2 3.16Å; R425-E428 PolarHBondContact O-N 3.13Å; R425-C429 PolarHBondContact O-N 3.31Å; R425-C429 PolarHBondContact O-SG 3.33Å; R425-C429 VanDerWaalsContact O-SG 3.35Å
426	A	88.7	Confident	87.1	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.7	-43.3	179.6	0	0	0	0	0	112.3	W407 M422 L423 E428 C429 C430 L436	W407-A426 HydrophobicContact CB-CB 3.82Å; W407-A426 HydrophobicContact CD2-CB 3.35Å; W407-A426 HydrophobicContact CE3-CB 3.45Å; W407-A426 VanDerWaalsContact CE3-CB 3.45Å; W407-A426 HydrophobicContact CG-CB 3.53Å; W407-A426 HydrophobicContact CZ3-CB 4.15Å; M422-A426 WeakPolarHBondContact O-CB 3.44Å; M422-A426 PolarHBondContact O-N 2.98Å; L423-A426 WeakPolarHBondContact O-CA 3.45Å; L423-A426 WeakPolarHBondContact O-CB 3.33Å; L423-A426 PolarHBondContact O-N 3.48Å; A426-E428 VanDerWaalsContact C-N 3.34Å; A426-C429 PolarHBondContact O-N 3.01Å; A426-C430 WeakPolarHBondContact O-CB 3.38Å; A426-C430 PolarHBondContact O-N 3.44Å; A426-L436 HydrophobicContact CB-CD1 3.84Å
427	V	87.9	Confident	87.3	Confident	6 Å²	6	52.4 Å²	52.4	4%	0.036	27%	0.267	C	S	.	.	H	α-helix	trans	-73.3	-25.2	178.7	-61.6	0	0	0	0	113	L423 S424 C430 P431 L436 W437 L440	L423-V427 WeakPolarHBondContact O-CG2 3.33Å; L423-V427 PolarHBondContact O-N 3.48Å; S424-V427 VanDerWaalsContact O-CG2 3.23Å; S424-V427 WeakPolarHBondContact O-CG2 3.42Å; V427-C430 CarbonylContact O-C 3.33Å; V427-P431 WeakPolarHBondContact O-CA 3.3Å; V427-L436 HydrophobicContact CG1-CB 3.8Å; V427-W437 HydrophobicContact CB-CD2 3.76Å; V427-W437 HydrophobicContact CB-CE3 3.85Å; V427-W437 HydrophobicContact CB-CH2 3.73Å; V427-W437 HydrophobicContact CB-CZ2 3.65Å; V427-W437 HydrophobicContact CB-CZ3 3.84Å; V427-W437 HydrophobicContact CG1-CD2 3.69Å; V427-W437 HydrophobicContact CG1-CE3 3.86Å; V427-W437 HydrophobicContact CG1-CG 4.02Å; V427-W437 HydrophobicContact CG1-CZ3 4.33Å; V427-W437 HydrophobicContact CG2-CD2 4.45Å; V427-W437 HydrophobicContact CG2-CE3 4.03Å; V427-W437 HydrophobicContact CG2-CH2 3.68Å; V427-W437 HydrophobicContact CG2-CZ2 4.14Å; V427-W437 HydrophobicContact CG2-CZ3 3.63Å; V427-L440 HydrophobicContact CB-CD1 4.29Å; V427-L440 HydrophobicContact CG1-CD1 3.76Å; V427-L440 HydrophobicContact CG2-CD1 3.51Å
428	E	87.8	Confident	87.5	Confident	121 Å²	121	47.7 Å²	47.7	57%	0.565	25%	0.245	S	C	*	.	H	α-helix	trans	-70.2	-42.5	170.3	-73.2	176	174.3	0	0	111.9	S424 R425 A426	S424-E428 WeakPolarHBondContact O-CG 3.45Å; S424-E428 PolarHBondContact O-N 3.19Å; R425-E428 WeakPolarHBondContact CD-OE2 3.44Å; R425-E428 IonicContact CZ-OE2 3.32Å; R425-E428 IonicContact NH1-OE2 3.58Å; R425-E428 PolarHBondContact NH1-OE2 3.16Å; R425-E428 PolarHBondContact O-N 3.13Å; A426-E428 VanDerWaalsContact C-N 3.34Å
429	C	86.8	Confident	87.5	Confident	34 Å²	34	45.8 Å²	45.8	23%	0.23	24%	0.239	C	C	.	.	H	α-helix	trans	-76.9	-30.8	179.1	-66	0	0	0	0	112.7	P401 W407 R425 A426 P431	P401-C429 VanDerWaalsContact O-CB 3.24Å; P401-C429 WeakPolarHBondContact O-CB 3.32Å; W407-C429 HydrophobicContact CZ2-CB 4.23Å; R425-C429 PolarHBondContact O-N 3.31Å; R425-C429 PolarHBondContact O-SG 3.33Å; R425-C429 VanDerWaalsContact O-SG 3.35Å; A426-C429 PolarHBondContact O-N 3.01Å; C429-P431 WeakPolarHBondContact O-CD 3.48Å
430	C	86.2	Confident	87.5	Confident	11 Å²	11	45.7 Å²	45.7	7%	0.074	24%	0.238	C	C	.	.			trans	-124.9	71.8	-178.4	-62.6	0	0	0	0	110.8	N402 A426 V427 T432 S433 L436	N402-C430 PolarHBondContact O-SG 2.95Å; A426-C430 WeakPolarHBondContact O-CB 3.38Å; A426-C430 PolarHBondContact O-N 3.44Å; V427-C430 CarbonylContact O-C 3.33Å; C430-T432 PolarHBondContact O-N 2.78Å; C430-S433 WeakPolarHBondContact CB-OG 3.39Å; C430-S433 PolarHBondContact O-N 3.06Å; C430-S433 PolarHBondContact O-OG 2.89Å; C430-L436 HydrophobicContact CB-CD1 4.05Å
431	P	86.1	Confident	87.5	Confident	52 Å²	52	41.1 Å²	41.1	34%	0.338	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-22.6	-174.9	27.1	-35	0	0	0	113.4	V427 C429 W437 N459 I460	V427-P431 WeakPolarHBondContact O-CA 3.3Å; C429-P431 WeakPolarHBondContact O-CD 3.48Å; P431-W437 PolarHBondContact O-NE1 3.11Å; P431-N459 HydrophobicContact CB-CB 4.48Å; P431-I460 WeakPolarHBondContact O-CD1 3.36Å
432	T	88.4	Confident	87.3	Confident	116 Å²	116	44.9 Å²	44.9	71%	0.712	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-13.7	-177.9	-63.6	0	0	0	0	114.3	C430 V434 I460	C430-T432 PolarHBondContact O-N 2.78Å; T432-V434 PolarHBondContact O-N 3.32Å; T432-I460 VanDerWaalsContact C-CD1 3.43Å; T432-I460 WeakPolarHBondContact O-CD1 3.38Å
433	S	86.9	Confident	87.3	Confident	19 Å²	19	47 Å²	47	13%	0.133	24%	0.241	C	C	.	.			trans	-88.2	109.8	-177.1	56.2	0	0	0	0	112	C430 E435 L436	C430-S433 WeakPolarHBondContact CB-OG 3.39Å; C430-S433 PolarHBondContact O-N 3.06Å; C430-S433 PolarHBondContact O-OG 2.89Å; S433-E435 VanDerWaalsContact C-N 3.33Å; S433-E435 PolarHBondContact O-N 2.85Å; S433-L436 WeakPolarHBondContact OG-CD1 3.26Å
434	V	87	Confident	87.1	Confident	35 Å²	35	48.5 Å²	48.5	21%	0.212	25%	0.248	C	C	.	.	H	α-helix	trans	-59.7	-41.5	-178.7	-58.5	0	0	0	0	112.3	T432 L436 W437 L438 I460 D463 I466	T432-V434 PolarHBondContact O-N 3.32Å; V434-L436 VanDerWaalsContact C-N 3.31Å; V434-L436 PolarHBondContact O-N 3.41Å; V434-W437 WeakPolarHBondContact O-CA 3.43Å; V434-W437 WeakPolarHBondContact O-CB 3.31Å; V434-W437 PolarHBondContact O-N 3.04Å; V434-L438 WeakPolarHBondContact O-CG 3.45Å; V434-L438 PolarHBondContact O-N 3.02Å; V434-I460 HydrophobicContact CB-CD1 4.45Å; V434-I460 HydrophobicContact CG1-CD1 3.55Å; V434-I460 HydrophobicContact CG1-CG2 4.03Å; V434-D463 WeakPolarHBondContact CB-OD2 3.35Å; V434-D463 HydrophobicContact CG1-CB 3.78Å; V434-D463 WeakPolarHBondContact CG1-OD2 3.44Å; V434-I466 HydrophobicContact CG1-CD1 4.38Å
435	E	87.5	Confident	87.1	Confident	97 Å²	97	50.7 Å²	50.7	45%	0.453	26%	0.259	S	S	.	.	H	α-helix	trans	-63.4	-35.5	-170.6	-55.9	165	120.9	0	0	112.9	K408 S433 L438 A439	K408-E435 VanDerWaalsContact CE-CD 3.47Å; K408-E435 WeakPolarHBondContact CE-OE2 3.16Å; K408-E435 IonicContact NZ-OE1 3.01Å; K408-E435 PolarHBondContact NZ-OE1 2.06Å; K408-E435 IonicContact NZ-OE2 2.65Å; K408-E435 PolarHBondContact NZ-OE2 3.13Å; S433-E435 VanDerWaalsContact C-N 3.33Å; S433-E435 PolarHBondContact O-N 2.85Å; E435-L438 PolarHBondContact O-N 3.2Å; E435-A439 WeakPolarHBondContact O-CB 3.21Å; E435-A439 PolarHBondContact O-N 2.92Å
436	L	88.4	Confident	87	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.016	25%	0.245	C	C	.	.	H	α-helix	trans	-68.7	-40.9	175.6	-63.1	-179.2	0	0	0	111	V404 W407 K408 L423 A426 V427 C430 S433 V434 L438 A439 L440	V404-L436 HydrophobicContact CG2-CD1 4Å; V404-L436 HydrophobicContact CG2-CD2 4.39Å; V404-L436 HydrophobicContact CG2-CG 3.92Å; W407-L436 HydrophobicContact CB-CD1 4.01Å; W407-L436 HydrophobicContact CB-CD2 4.12Å; W407-L436 HydrophobicContact CG-CD1 4.43Å; K408-L436 HydrophobicContact CG-CD2 4.03Å; L423-L436 HydrophobicContact CD2-CB 4.37Å; L423-L436 HydrophobicContact CD2-CD2 3.88Å; A426-L436 HydrophobicContact CB-CD1 3.84Å; V427-L436 HydrophobicContact CG1-CB 3.8Å; C430-L436 HydrophobicContact CB-CD1 4.05Å; S433-L436 WeakPolarHBondContact OG-CD1 3.26Å; V434-L436 VanDerWaalsContact C-N 3.31Å; V434-L436 PolarHBondContact O-N 3.41Å; L436-L438 VanDerWaalsContact C-N 3.33Å; L436-L438 PolarHBondContact O-N 2.89Å; L436-A439 PolarHBondContact O-N 3.41Å; L436-L440 VanDerWaalsContact O-CB 3.25Å; L436-L440 WeakPolarHBondContact O-CB 3.26Å; L436-L440 PolarHBondContact O-N 3.25Å
437	W	89.5	Confident	86.9	Confident	9 Å²	9	53.5 Å²	53.5	3%	0.034	28%	0.276	C	S	.	.	H	α-helix	trans	-61.4	-41.9	173.7	-69	110.4	0	0	0	111.7	V427 P431 V434 L440 A441 V452 K455 A456 N459	V427-W437 HydrophobicContact CB-CD2 3.76Å; V427-W437 HydrophobicContact CB-CE3 3.85Å; V427-W437 HydrophobicContact CB-CH2 3.73Å; V427-W437 HydrophobicContact CB-CZ2 3.65Å; V427-W437 HydrophobicContact CB-CZ3 3.84Å; V427-W437 HydrophobicContact CG1-CD2 3.69Å; V427-W437 HydrophobicContact CG1-CE3 3.86Å; V427-W437 HydrophobicContact CG1-CG 4.02Å; V427-W437 HydrophobicContact CG1-CZ3 4.33Å; V427-W437 HydrophobicContact CG2-CD2 4.45Å; V427-W437 HydrophobicContact CG2-CE3 4.03Å; V427-W437 HydrophobicContact CG2-CH2 3.68Å; V427-W437 HydrophobicContact CG2-CZ2 4.14Å; V427-W437 HydrophobicContact CG2-CZ3 3.63Å; P431-W437 PolarHBondContact O-NE1 3.11Å; V434-W437 WeakPolarHBondContact O-CA 3.43Å; V434-W437 WeakPolarHBondContact O-CB 3.31Å; V434-W437 PolarHBondContact O-N 3.04Å; W437-L440 PolarHBondContact O-N 3.24Å; W437-A441 WeakPolarHBondContact O-CB 3.45Å; W437-A441 PolarHBondContact O-N 3.44Å; W437-V452 HydrophobicContact CE3-CG1 3.63Å; W437-V452 HydrophobicContact CZ3-CG1 4.03Å; W437-K455 HydrophobicContact CH2-CB 4.27Å; W437-K455 HydrophobicContact CH2-CD 4.36Å; W437-K455 HydrophobicContact CH2-CG 3.94Å; W437-K455 HydrophobicContact CZ3-CB 4.23Å; W437-K455 HydrophobicContact CZ3-CG 4.39Å; W437-A456 HydrophobicContact CB-CB 3.78Å; W437-A456 HydrophobicContact CD2-CB 3.63Å; W437-A456 HydrophobicContact CE3-CB 3.84Å; W437-A456 HydrophobicContact CG-CB 3.61Å; W437-N459 WeakPolarHBondContact CZ2-ND2 3.36Å
438	L	87.8	Confident	86.8	Confident	22 Å²	22	56.2 Å²	56.2	12%	0.115	29%	0.291	C	S	.	.	H	α-helix	trans	-67.8	-41.5	178.2	-55.4	-171	0	0	0	112.1	V434 E435 L436 L440 A441 R442 H465 I466 T469	V434-L438 WeakPolarHBondContact O-CG 3.45Å; V434-L438 PolarHBondContact O-N 3.02Å; E435-L438 PolarHBondContact O-N 3.2Å; L436-L438 VanDerWaalsContact C-N 3.33Å; L436-L438 PolarHBondContact O-N 2.89Å; L438-L440 VanDerWaalsContact C-N 3.34Å; L438-A441 PolarHBondContact O-N 3.3Å; L438-R442 PolarHBondContact O-N 2.89Å; L438-R442 VanDerWaalsContact O-N 3.13Å; L438-H465 HydrophobicContact CD1-CB 3.82Å; L438-I466 HydrophobicContact CD2-CG1 4.17Å; L438-T469 HydrophobicContact CD2-CG2 4.05Å; L438-T469 WeakPolarHBondContact CD2-OG1 3.38Å
439	A	86.4	Confident	86.8	Confident	28 Å²	28	50.4 Å²	50.4	23%	0.231	26%	0.264	C	S	.	.	H	α-helix	trans	-63.9	-41.2	176.1	0	0	0	0	0	111.5	L423 E435 L436 R442 L443	L423-A439 HydrophobicContact CD1-CB 4.05Å; L423-A439 HydrophobicContact CD2-CB 4.19Å; E435-A439 WeakPolarHBondContact O-CB 3.21Å; E435-A439 PolarHBondContact O-N 2.92Å; L436-A439 PolarHBondContact O-N 3.41Å; A439-R442 PolarHBondContact O-N 3.1Å; A439-L443 PolarHBondContact O-N 3.14Å
440	L	87	Confident	86.8	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-63.8	-49.4	177	-161.7	167.9	0	0	0	110.7	L423 V427 L436 W437 L438 R442 L443 E444 V452	L423-L440 HydrophobicContact CB-CB 4.05Å; L423-L440 HydrophobicContact CB-CD1 4.04Å; L423-L440 HydrophobicContact CB-CG 3.91Å; L423-L440 HydrophobicContact CD1-CB 4.42Å; L423-L440 WeakPolarHBondContact O-CD1 3.42Å; V427-L440 HydrophobicContact CB-CD1 4.29Å; V427-L440 HydrophobicContact CG1-CD1 3.76Å; V427-L440 HydrophobicContact CG2-CD1 3.51Å; L436-L440 VanDerWaalsContact O-CB 3.25Å; L436-L440 WeakPolarHBondContact O-CB 3.26Å; L436-L440 PolarHBondContact O-N 3.25Å; W437-L440 PolarHBondContact O-N 3.24Å; L438-L440 VanDerWaalsContact C-N 3.34Å; L440-R442 PolarHBondContact O-N 3.2Å; L440-R442 VanDerWaalsContact O-N 3.17Å; L440-L443 PolarHBondContact O-N 3.2Å; L440-E444 HydrophobicContact CD2-CG 3.67Å; L440-E444 WeakPolarHBondContact CD2-OE1 3.46Å; L440-E444 PolarHBondContact O-N 2.93Å; L440-E444 VanDerWaalsContact O-N 3.09Å; L440-V452 HydrophobicContact CB-CG1 4.35Å; L440-V452 HydrophobicContact CD1-CG1 4.47Å; L440-V452 HydrophobicContact CD2-CB 4.08Å; L440-V452 HydrophobicContact CD2-CG1 3.6Å; L440-V452 HydrophobicContact CD2-CG2 3.47Å; L440-V452 VanDerWaalsContact CD2-CG2 3.47Å; L440-V452 HydrophobicContact CG-CG1 4.38Å
441	A	86.1	Confident	86.9	Confident	3 Å²	3	60.7 Å²	60.7	3%	0.025	30%	0.3	C	S	.	.	H	α-helix	trans	-60.1	-28.2	178.8	0	0	0	0	0	113.2	W437 L438 A449 V452 L453	W437-A441 WeakPolarHBondContact O-CB 3.45Å; W437-A441 PolarHBondContact O-N 3.44Å; L438-A441 PolarHBondContact O-N 3.3Å; A441-A449 HydrophobicContact CB-CB 4.4Å; A441-A449 VanDerWaalsContact O-CB 3.32Å; A441-A449 WeakPolarHBondContact O-CB 3.36Å; A441-V452 HydrophobicContact CB-CG1 4.38Å; A441-L453 HydrophobicContact CB-CD1 4.04Å; A441-L453 HydrophobicContact CB-CD2 3.71Å; A441-L453 HydrophobicContact CB-CG 3.72Å
442	R	84.9	Confident	87	Confident	171 Å²	171	59.1 Å²	59.1	65%	0.645	29%	0.289	S	S	*	.	H	α-helix	trans	-75.9	-31.9	176.4	-171.2	178.8	-62.3	135.9	2.8	113.3	L438 A439 L440	L438-R442 PolarHBondContact O-N 2.89Å; L438-R442 VanDerWaalsContact O-N 3.13Å; A439-R442 PolarHBondContact O-N 3.1Å; L440-R442 PolarHBondContact O-N 3.2Å; L440-R442 VanDerWaalsContact O-N 3.17Å
443	L	85.3	Confident	87	Confident	70 Å²	70	53.7 Å²	53.7	37%	0.366	26%	0.256	S	S	.	.	H	α-helix	trans	-89.4	-14.6	-178.1	-72.1	172.9	0	0	0	113.3	P416 A419 R420 L423 A439 L440	P416-L443 HydrophobicContact CB-CD2 4.11Å; A419-L443 HydrophobicContact CB-CD1 4.01Å; R420-L443 HydrophobicContact CB-CB 4.49Å; L423-L443 HydrophobicContact CD1-CD1 3.59Å; A439-L443 PolarHBondContact O-N 3.14Å; L440-L443 PolarHBondContact O-N 3.2Å
444	E	84.4	Confident	87.2	Confident	33 Å²	33	56.4 Å²	56.4	15%	0.154	27%	0.269	C	S	.	.	S	Bend	trans	-89.5	158.5	179.2	-77.4	-161.3	163.7	0	0	114.4	R420 L440 N448 A449 V452	R420-E444 HydrophobicContact CG-CG 3.86Å; L440-E444 HydrophobicContact CD2-CG 3.67Å; L440-E444 WeakPolarHBondContact CD2-OE1 3.46Å; L440-E444 PolarHBondContact O-N 2.93Å; L440-E444 VanDerWaalsContact O-N 3.09Å; E444-N448 HydrophobicContact CB-CB 4.43Å; E444-N448 WeakPolarHBondContact OE2-CB 3.47Å; E444-A449 HydrophobicContact CB-CB 4.12Å; E444-A449 PolarHBondContact OE2-N 3.35Å; E444-V452 VanDerWaalsContact OE2-CG2 3.23Å; E444-V452 WeakPolarHBondContact OE2-CG2 3.43Å
445	T	88.1	Confident	87.2	Confident	92 Å²	92	60.3 Å²	60.3	56%	0.564	28%	0.283	S	S	*	.			trans	-62	147.1	166.6	55.7	0	0	0	0	110.9	E447 N448 A449	T445-E447 VanDerWaalsContact C-N 3.33Å; T445-E447 PolarHBondContact O-N 3.25Å; T445-E447 VanDerWaalsContact O-N 3.1Å; T445-N448 PolarHBondContact O-N 2.79Å; T445-N448 PolarHBondContact OG1-ND2 3.13Å; T445-A449 WeakPolarHBondContact O-CB 3.46Å; T445-A449 PolarHBondContact O-N 3.48Å
446	Y	86.2	Confident	87.3	Confident	56 Å²	56	55.7 Å²	55.7	22%	0.22	26%	0.261	C	S	.	.	H	α-helix	trans	-41.9	-49.4	-178.4	175.1	-103.2	0	0	0	115.5	N448 A449 R450 L473 E474 N477 N479	Y446-N448 PolarHBondContact O-N 3.1Å; Y446-A449 PolarHBondContact O-N 3.22Å; Y446-R450 WeakPolarHBondContact O-CB 3.45Å; Y446-R450 PolarHBondContact O-N 3.32Å; Y446-L473 HydrophobicContact CD2-CD1 4.49Å; Y446-L473 HydrophobicContact CD2-CD2 4.31Å; Y446-L473 HydrophobicContact CD2-CG 4.07Å; Y446-E474 WeakPolarHBondContact CE2-OE2 3.36Å; Y446-E474 PolarHBondContact OH-OE1 3.25Å; Y446-E474 PolarHBondContact OH-OE2 3.32Å; Y446-N477 HydrophobicContact CD2-CB 3.85Å; Y446-N477 VanDerWaalsContact CD2-CG 3.5Å; Y446-N477 WeakPolarHBondContact CD2-OD1 3.38Å; Y446-N477 HydrophobicContact CE2-CB 4.17Å; Y446-N477 HydrophobicContact CG-CB 4.44Å; Y446-N479 PolarHBondContact OH-ND2 2.81Å
447	E	86.4	Confident	87.3	Confident	142 Å²	142	57.9 Å²	57.9	66%	0.664	27%	0.269	S	S	*	.	H	α-helix	trans	-64.8	-38.8	-177.5	-63.4	-171	170.6	0	0	113.3	T445 K451	T445-E447 VanDerWaalsContact C-N 3.33Å; T445-E447 PolarHBondContact O-N 3.25Å; T445-E447 VanDerWaalsContact O-N 3.1Å; E447-K451 PolarHBondContact O-N 2.7Å
448	N	86.5	Confident	87.2	Confident	63 Å²	63	64.5 Å²	64.5	34%	0.337	30%	0.301	S	S	.	.	H	α-helix	trans	-80	-39.9	179.7	-66.7	-35.8	0	0	0	110.9	E444 T445 Y446 R450 K451 V452	E444-N448 HydrophobicContact CB-CB 4.43Å; E444-N448 WeakPolarHBondContact OE2-CB 3.47Å; T445-N448 PolarHBondContact O-N 2.79Å; T445-N448 PolarHBondContact OG1-ND2 3.13Å; Y446-N448 PolarHBondContact O-N 3.1Å; N448-R450 PolarHBondContact O-N 3.46Å; N448-K451 WeakPolarHBondContact O-CA 3.34Å; N448-K451 WeakPolarHBondContact O-CB 3.41Å; N448-K451 PolarHBondContact O-N 2.86Å; N448-V452 WeakPolarHBondContact O-CG2 3.4Å; N448-V452 PolarHBondContact O-N 2.75Å
449	A	86.3	Confident	87.2	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-56.6	-37.5	172.7	0	0	0	0	0	111.8	A441 E444 T445 Y446 V452 L453 L473	A441-A449 HydrophobicContact CB-CB 4.4Å; A441-A449 VanDerWaalsContact O-CB 3.32Å; A441-A449 WeakPolarHBondContact O-CB 3.36Å; E444-A449 HydrophobicContact CB-CB 4.12Å; E444-A449 PolarHBondContact OE2-N 3.35Å; T445-A449 WeakPolarHBondContact O-CB 3.46Å; T445-A449 PolarHBondContact O-N 3.48Å; Y446-A449 PolarHBondContact O-N 3.22Å; A449-V452 PolarHBondContact O-N 3.16Å; A449-L453 WeakPolarHBondContact O-CB 3.39Å; A449-L453 VanDerWaalsContact O-CG 3.22Å; A449-L453 WeakPolarHBondContact O-CG 3.33Å; A449-L453 PolarHBondContact O-N 3.39Å; A449-L473 HydrophobicContact CB-CD1 4.17Å; A449-L473 HydrophobicContact CB-CD2 3.55Å
450	R	86.9	Confident	87.2	Confident	128 Å²	128	66.2 Å²	66.2	48%	0.483	31%	0.306	S	S	.	.	H	α-helix	trans	-65.4	-39.9	173.3	-173.9	171.1	175.2	176.9	-3.9	113.1	Y446 N448 N454	Y446-R450 WeakPolarHBondContact O-CB 3.45Å; Y446-R450 PolarHBondContact O-N 3.32Å; N448-R450 PolarHBondContact O-N 3.46Å; R450-N454 WeakPolarHBondContact O-CB 3.22Å; R450-N454 VanDerWaalsContact O-CG 3.29Å; R450-N454 PolarHBondContact O-N 3.29Å; R450-N454 PolarHBondContact O-ND2 2.68Å
451	K	88.7	Confident	87.1	Confident	132 Å²	132	68.4 Å²	68.4	57%	0.574	32%	0.321	S	S	*	.	H	α-helix	trans	-65	-43.3	174.8	-67.8	171.7	-172.4	163.8	0	111	E447 N448 N454 K455	E447-K451 PolarHBondContact O-N 2.7Å; N448-K451 WeakPolarHBondContact O-CA 3.34Å; N448-K451 WeakPolarHBondContact O-CB 3.41Å; N448-K451 PolarHBondContact O-N 2.86Å; K451-N454 PolarHBondContact O-N 2.79Å; K451-K455 WeakPolarHBondContact O-CB 3.41Å; K451-K455 PolarHBondContact O-N 3.27Å
452	V	89.4	Confident	87.2	Confident	19 Å²	19	72.4 Å²	72.4	12%	0.115	34%	0.344	C	S	.	.	H	α-helix	trans	-60.9	-48.3	176.9	165.8	0	0	0	0	110.9	W437 L440 A441 E444 N448 A449 N454 K455 A456	W437-V452 HydrophobicContact CE3-CG1 3.63Å; W437-V452 HydrophobicContact CZ3-CG1 4.03Å; L440-V452 HydrophobicContact CB-CG1 4.35Å; L440-V452 HydrophobicContact CD1-CG1 4.47Å; L440-V452 HydrophobicContact CD2-CB 4.08Å; L440-V452 HydrophobicContact CD2-CG1 3.6Å; L440-V452 HydrophobicContact CD2-CG2 3.47Å; L440-V452 VanDerWaalsContact CD2-CG2 3.47Å; L440-V452 HydrophobicContact CG-CG1 4.38Å; A441-V452 HydrophobicContact CB-CG1 4.38Å; E444-V452 VanDerWaalsContact OE2-CG2 3.23Å; E444-V452 WeakPolarHBondContact OE2-CG2 3.43Å; N448-V452 WeakPolarHBondContact O-CG2 3.4Å; N448-V452 PolarHBondContact O-N 2.75Å; A449-V452 PolarHBondContact O-N 3.16Å; V452-N454 VanDerWaalsContact C-N 3.33Å; V452-N454 PolarHBondContact O-N 2.81Å; V452-K455 CarbonylContact O-C 3.44Å; V452-K455 PolarHBondContact O-N 2.79Å; V452-A456 WeakPolarHBondContact O-CB 3.32Å; V452-A456 PolarHBondContact O-N 3.37Å
453	L	88	Confident	87.2	Confident	2 Å²	2	65.3 Å²	65.3	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-66.9	-35	179	-70.2	168.8	0	0	0	112	A441 A449 A456 R457 I466 T469 A470 L473	A441-L453 HydrophobicContact CB-CD1 4.04Å; A441-L453 HydrophobicContact CB-CD2 3.71Å; A441-L453 HydrophobicContact CB-CG 3.72Å; A449-L453 WeakPolarHBondContact O-CB 3.39Å; A449-L453 VanDerWaalsContact O-CG 3.22Å; A449-L453 WeakPolarHBondContact O-CG 3.33Å; A449-L453 PolarHBondContact O-N 3.39Å; L453-A456 PolarHBondContact O-N 3.11Å; L453-R457 VanDerWaalsContact O-CG 3.26Å; L453-R457 WeakPolarHBondContact O-CG 3.46Å; L453-R457 PolarHBondContact O-N 3.38Å; L453-I466 HydrophobicContact CD2-CG2 3.98Å; L453-T469 HydrophobicContact CD2-CG2 4.48Å; L453-A470 HydrophobicContact CD1-CB 3.85Å; L453-L473 HydrophobicContact CD1-CD2 3.81Å
454	N	89.7	Confident	87.2	Confident	76 Å²	76	64.2 Å²	64.2	41%	0.406	31%	0.31	S	S	.	.	H	α-helix	trans	-64.6	-41.8	171.7	-76.7	-21.3	0	0	0	111.8	R450 K451 V452 A456 R457 E458	R450-N454 WeakPolarHBondContact O-CB 3.22Å; R450-N454 VanDerWaalsContact O-CG 3.29Å; R450-N454 PolarHBondContact O-N 3.29Å; R450-N454 PolarHBondContact O-ND2 2.68Å; K451-N454 PolarHBondContact O-N 2.79Å; V452-N454 VanDerWaalsContact C-N 3.33Å; V452-N454 PolarHBondContact O-N 2.81Å; N454-A456 VanDerWaalsContact C-N 3.33Å; N454-R457 PolarHBondContact O-N 3.29Å; N454-R457 PolarHBondContact OD1-NH1 3.08Å; N454-E458 PolarHBondContact O-N 2.87Å
455	K	88.7	Confident	87.4	Confident	117 Å²	117	65.2 Å²	65.2	51%	0.509	32%	0.315	S	S	.	.	H	α-helix	trans	-67.5	-34.1	175.4	-165	158.7	-173.8	168.9	0	112.3	W437 K451 V452 E458 N459	W437-K455 HydrophobicContact CH2-CB 4.27Å; W437-K455 HydrophobicContact CH2-CD 4.36Å; W437-K455 HydrophobicContact CH2-CG 3.94Å; W437-K455 HydrophobicContact CZ3-CB 4.23Å; W437-K455 HydrophobicContact CZ3-CG 4.39Å; K451-K455 WeakPolarHBondContact O-CB 3.41Å; K451-K455 PolarHBondContact O-N 3.27Å; V452-K455 CarbonylContact O-C 3.44Å; V452-K455 PolarHBondContact O-N 2.79Å; K455-E458 PolarHBondContact O-N 3.1Å; K455-N459 PolarHBondContact O-N 3.15Å; K455-N459 VanDerWaalsContact O-N 3.1Å; K455-N459 PolarHBondContact O-ND2 2.93Å; K455-N459 VanDerWaalsContact O-ND2 3.09Å
456	A	89.1	Confident	87.5	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.3	-41.4	172.2	0	0	0	0	0	111.4	W437 V452 L453 N454 E458 N459 I460 I466	W437-A456 HydrophobicContact CB-CB 3.78Å; W437-A456 HydrophobicContact CD2-CB 3.63Å; W437-A456 HydrophobicContact CE3-CB 3.84Å; W437-A456 HydrophobicContact CG-CB 3.61Å; V452-A456 WeakPolarHBondContact O-CB 3.32Å; V452-A456 PolarHBondContact O-N 3.37Å; L453-A456 PolarHBondContact O-N 3.11Å; N454-A456 VanDerWaalsContact C-N 3.33Å; A456-E458 VanDerWaalsContact C-N 3.33Å; A456-E458 PolarHBondContact O-N 3.39Å; A456-N459 PolarHBondContact O-N 3.03Å; A456-I460 WeakPolarHBondContact O-CA 3.32Å; A456-I460 PolarHBondContact O-N 2.96Å; A456-I466 HydrophobicContact CB-CD1 3.98Å; A456-I466 HydrophobicContact CB-CG1 4.39Å; A456-I466 HydrophobicContact CB-CG2 4.02Å
457	R	87.6	Confident	87.6	Confident	49 Å²	49	59.2 Å²	59.2	19%	0.185	28%	0.282	C	S	.	.	H	α-helix	trans	-65.9	-33.6	175.4	-70.8	170.2	-168	169.1	-1.7	113	L453 N454 I460 P461 I466 W467	L453-R457 VanDerWaalsContact O-CG 3.26Å; L453-R457 WeakPolarHBondContact O-CG 3.46Å; L453-R457 PolarHBondContact O-N 3.38Å; N454-R457 PolarHBondContact O-N 3.29Å; N454-R457 PolarHBondContact OD1-NH1 3.08Å; R457-I460 CarbonylContact O-C 3.56Å; R457-P461 WeakPolarHBondContact O-CA 3.11Å; R457-P461 WeakPolarHBondContact O-CG 3.48Å; R457-I466 HydrophobicContact CG-CG2 3.67Å; R457-W467 HydrophobicContact CG-CZ2 4.31Å
458	E	88.4	Confident	87.7	Confident	148 Å²	148	53 Å²	53	69%	0.692	25%	0.253	S	S	*	.	H	α-helix	trans	-66.8	-45.8	175.4	-173.2	-176.5	-179.1	0	0	111	N454 K455 A456	N454-E458 PolarHBondContact O-N 2.87Å; K455-E458 PolarHBondContact O-N 3.1Å; A456-E458 VanDerWaalsContact C-N 3.33Å; A456-E458 PolarHBondContact O-N 3.39Å
459	N	87.3	Confident	87.7	Confident	72 Å²	72	51 Å²	51	39%	0.385	24%	0.243	S	C	.	.	H	α-helix	trans	-75.2	-33	179.3	-69.8	-41.1	0	0	0	113.3	P431 W437 K455 A456	P431-N459 HydrophobicContact CB-CB 4.48Å; W437-N459 WeakPolarHBondContact CZ2-ND2 3.36Å; K455-N459 PolarHBondContact O-N 3.15Å; K455-N459 VanDerWaalsContact O-N 3.1Å; K455-N459 PolarHBondContact O-ND2 2.93Å; K455-N459 VanDerWaalsContact O-ND2 3.09Å; A456-N459 PolarHBondContact O-N 3.03Å
460	I	86.8	Confident	87.7	Confident	14 Å²	14	51.3 Å²	51.3	7%	0.072	25%	0.245	C	C	.	.			trans	-133.7	78	-176.3	-43.7	170.9	0	0	0	109.8	P431 T432 V434 A456 R457 T462 D463 I466	P431-I460 WeakPolarHBondContact O-CD1 3.36Å; T432-I460 VanDerWaalsContact C-CD1 3.43Å; T432-I460 WeakPolarHBondContact O-CD1 3.38Å; V434-I460 HydrophobicContact CB-CD1 4.45Å; V434-I460 HydrophobicContact CG1-CD1 3.55Å; V434-I460 HydrophobicContact CG1-CG2 4.03Å; A456-I460 WeakPolarHBondContact O-CA 3.32Å; A456-I460 PolarHBondContact O-N 2.96Å; R457-I460 CarbonylContact O-C 3.56Å; I460-T462 PolarHBondContact O-N 3.49Å; I460-D463 HydrophobicContact CG2-CB 3.72Å; I460-I466 HydrophobicContact CB-CD1 3.88Å; I460-I466 HydrophobicContact CD1-CD1 4.38Å; I460-I466 HydrophobicContact CG2-CD1 4.37Å
461	P	85.3	Confident	87.7	Confident	50 Å²	50	45.2 Å²	45.2	33%	0.325	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-14.2	179.5	-18.6	32.8	0	0	0	114.3	R457 N497	R457-P461 WeakPolarHBondContact O-CA 3.11Å; R457-P461 WeakPolarHBondContact O-CG 3.48Å; P461-N497 WeakPolarHBondContact CB-ND2 3.3Å; P461-N497 PolarHBondContact O-ND2 3.27Å
462	T	86.7	Confident	87.5	Confident	86 Å²	86	40.6 Å²	40.6	53%	0.528	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-9.5	-172.3	56.4	0	0	0	0	113.7	I460 L494	I460-T462 PolarHBondContact O-N 3.49Å; T462-L494 WeakPolarHBondContact O-CD2 3.41Å
463	D	84.8	Confident	87.4	Confident	23 Å²	23	40.9 Å²	40.9	12%	0.123	20%	0.203	C	C	.	.			trans	-94.4	135.6	-175.7	-177.5	37.1	0	0	0	112.8	V434 I460 H465 I466 W467	V434-D463 WeakPolarHBondContact CB-OD2 3.35Å; V434-D463 HydrophobicContact CG1-CB 3.78Å; V434-D463 WeakPolarHBondContact CG1-OD2 3.44Å; I460-D463 HydrophobicContact CG2-CB 3.72Å; D463-H465 IonicContact OD1-CD2 3.23Å; D463-H465 PolarHBondContact OD1-CD2 2.95Å; D463-H465 PolarHBondContact OD1-N 2.96Å; D463-H465 WeakPolarHBondContact OD2-CB 3.15Å; D463-H465 PolarHBondContact OD2-N 3.25Å; D463-I466 HydrophobicContact CB-CD1 4.14Å; D463-I466 HydrophobicContact CB-CG1 4.48Å; D463-I466 PolarHBondContact OD2-N 2.84Å; D463-W467 VanDerWaalsContact O-CD1 3.3Å
464	R	86.4	Confident	87.3	Confident	46 Å²	46	41.2 Å²	41.2	17%	0.174	20%	0.204	C	C	.	.	S	Bend	trans	-83.8	-29.6	177.6	60	-179.6	151.4	63.3	14.2	113.1	I466 W467 I468 L494 Q505 W506 D509	R464-I466 VanDerWaalsContact C-N 3.27Å; R464-I466 PolarHBondContact O-N 3.3Å; R464-W467 WeakPolarHBondContact O-CB 3.41Å; R464-W467 PolarHBondContact O-N 2.95Å; R464-I468 PolarHBondContact O-N 2.63Å; R464-L494 HydrophobicContact CB-CD1 3.81Å; R464-Q505 VanDerWaalsContact NH2-CD 3.31Å; R464-W506 HydrophobicContact CB-CH2 4.47Å; R464-W506 HydrophobicContact CB-CZ2 3.91Å; R464-D509 WeakPolarHBondContact CD-OD2 3.44Å; R464-D509 IonicContact CZ-OD2 2.59Å; R464-D509 IonicContact NE-OD2 3.31Å; R464-D509 VanDerWaalsContact NH1-CG 3.34Å; R464-D509 IonicContact NH1-OD1 3.84Å; R464-D509 PolarHBondContact NH1-OD1 3.27Å; R464-D509 IonicContact NH1-OD2 2.87Å; R464-D509 PolarHBondContact NH1-OD2 2.94Å
465	H	88.3	Confident	87.1	Confident	55 Å²	55	39 Å²	39	26%	0.255	19%	0.192	S	C	.	.	H	α-helix	trans	-66.1	-30.4	-175.1	-67.5	-78.4	0	0	0	112.7	L438 D463 W467 I468 T469 D509	L438-H465 HydrophobicContact CD1-CB 3.82Å; D463-H465 IonicContact OD1-CD2 3.23Å; D463-H465 PolarHBondContact OD1-CD2 2.95Å; D463-H465 PolarHBondContact OD1-N 2.96Å; D463-H465 WeakPolarHBondContact OD2-CB 3.15Å; D463-H465 PolarHBondContact OD2-N 3.25Å; H465-W467 VanDerWaalsContact C-N 3.29Å; H465-W467 PolarHBondContact O-N 2.92Å; H465-I468 PolarHBondContact O-N 2.98Å; H465-T469 VanDerWaalsContact O-CB 3.28Å; H465-T469 WeakPolarHBondContact O-CB 3.39Å; H465-T469 PolarHBondContact O-N 2.74Å; H465-T469 PolarHBondContact O-OG1 3.37Å; H465-D509 IonicContact CE1-OD1 3.73Å; H465-D509 PolarHBondContact CE1-OD1 3.03Å; H465-D509 IonicContact CE1-OD2 3.74Å; H465-D509 IonicContact ND1-OD1 3.8Å; H465-D509 IonicContact NE2-OD1 2.85Å
466	I	89.6	Confident	86.9	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.6	-39.7	173.1	-59.5	167.3	0	0	0	111	V434 L438 L453 A456 R457 I460 D463 R464 A470	V434-I466 HydrophobicContact CG1-CD1 4.38Å; L438-I466 HydrophobicContact CD2-CG1 4.17Å; L453-I466 HydrophobicContact CD2-CG2 3.98Å; A456-I466 HydrophobicContact CB-CD1 3.98Å; A456-I466 HydrophobicContact CB-CG1 4.39Å; A456-I466 HydrophobicContact CB-CG2 4.02Å; R457-I466 HydrophobicContact CG-CG2 3.67Å; I460-I466 HydrophobicContact CB-CD1 3.88Å; I460-I466 HydrophobicContact CD1-CD1 4.38Å; I460-I466 HydrophobicContact CG2-CD1 4.37Å; D463-I466 HydrophobicContact CB-CD1 4.14Å; D463-I466 HydrophobicContact CB-CG1 4.48Å; D463-I466 PolarHBondContact OD2-N 2.84Å; R464-I466 VanDerWaalsContact C-N 3.27Å; R464-I466 PolarHBondContact O-N 3.3Å; I466-A470 WeakPolarHBondContact O-CB 3.35Å; I466-A470 PolarHBondContact O-N 2.98Å
467	W	88.5	Confident	86.6	Confident	22 Å²	22	41.4 Å²	41.4	8%	0.083	22%	0.222	C	C	.	.	H	α-helix	trans	-71.3	-44.7	178	-69.9	100.9	0	0	0	112.3	R457 D463 R464 H465 T469 A470 A471 I486 R489 A490	R457-W467 HydrophobicContact CG-CZ2 4.31Å; D463-W467 VanDerWaalsContact O-CD1 3.3Å; R464-W467 WeakPolarHBondContact O-CB 3.41Å; R464-W467 PolarHBondContact O-N 2.95Å; H465-W467 VanDerWaalsContact C-N 3.29Å; H465-W467 PolarHBondContact O-N 2.92Å; W467-T469 VanDerWaalsContact C-N 3.33Å; W467-T469 PolarHBondContact O-N 2.72Å; W467-A470 WeakPolarHBondContact O-CB 3.49Å; W467-A470 PolarHBondContact O-N 3.19Å; W467-A471 PolarHBondContact O-N 3.08Å; W467-I486 HydrophobicContact CE3-CG2 3.94Å; W467-I486 HydrophobicContact CZ3-CG2 4.47Å; W467-R489 HydrophobicContact CH2-CB 4.39Å; W467-R489 HydrophobicContact CZ3-CB 4.05Å; W467-A490 HydrophobicContact CB-CB 3.38Å; W467-A490 HydrophobicContact CD2-CB 3.42Å; W467-A490 VanDerWaalsContact CD2-CB 3.42Å; W467-A490 HydrophobicContact CE3-CB 3.64Å; W467-A490 HydrophobicContact CG-CB 3.3Å
468	I	88.1	Confident	86.2	Confident	12 Å²	12	41.6 Å²	41.6	6%	0.062	24%	0.239	C	C	.	.	H	α-helix	trans	-61.9	-42	175.2	-61.9	-59.6	0	0	0	110.8	R464 H465 A470 A471 K472 W506 A525	R464-I468 PolarHBondContact O-N 2.63Å; H465-I468 PolarHBondContact O-N 2.98Å; I468-A470 VanDerWaalsContact C-N 3.34Å; I468-A470 PolarHBondContact O-N 3.28Å; I468-A471 WeakPolarHBondContact O-CA 3.15Å; I468-A471 VanDerWaalsContact O-CB 3.32Å; I468-A471 WeakPolarHBondContact O-CB 3.08Å; I468-A471 PolarHBondContact O-N 3.24Å; I468-A471 VanDerWaalsContact O-N 3.11Å; I468-K472 HydrophobicContact CG2-CD 4.21Å; I468-K472 HydrophobicContact CG2-CG 4.46Å; I468-K472 WeakPolarHBondContact O-CG 3.36Å; I468-K472 PolarHBondContact O-N 3.49Å; I468-W506 HydrophobicContact CD1-CE3 4.07Å; I468-W506 HydrophobicContact CD1-CH2 4.46Å; I468-W506 HydrophobicContact CD1-CZ3 3.65Å; I468-W506 HydrophobicContact CG1-CZ3 4.46Å; I468-A525 HydrophobicContact CD1-CB 4.26Å
469	T	87.4	Confident	85.9	Confident	20 Å²	20	38.2 Å²	38.2	12%	0.123	23%	0.226	C	C	.	.	H	α-helix	trans	-67.3	-36.1	178.3	-56.2	0	0	0	0	112	L438 L453 H465 W467 A471 K472 L473	L438-T469 HydrophobicContact CD2-CG2 4.05Å; L438-T469 WeakPolarHBondContact CD2-OG1 3.38Å; L453-T469 HydrophobicContact CD2-CG2 4.48Å; H465-T469 VanDerWaalsContact O-CB 3.28Å; H465-T469 WeakPolarHBondContact O-CB 3.39Å; H465-T469 PolarHBondContact O-N 2.74Å; H465-T469 PolarHBondContact O-OG1 3.37Å; W467-T469 VanDerWaalsContact C-N 3.33Å; W467-T469 PolarHBondContact O-N 2.72Å; T469-A471 VanDerWaalsContact C-N 3.3Å; T469-A471 PolarHBondContact O-N 3.49Å; T469-K472 PolarHBondContact O-N 3.27Å; T469-L473 WeakPolarHBondContact O-CB 3.43Å; T469-L473 PolarHBondContact O-N 3.5Å
470	A	86.4	Confident	85.5	Confident	6 Å²	6	38.8 Å²	38.8	5%	0.05	23%	0.232	C	C	.	.	H	α-helix	trans	-63.6	-38.2	170.9	0	0	0	0	0	112.4	L453 I466 W467 I468 L473 E474 I486	L453-A470 HydrophobicContact CD1-CB 3.85Å; I466-A470 WeakPolarHBondContact O-CB 3.35Å; I466-A470 PolarHBondContact O-N 2.98Å; W467-A470 WeakPolarHBondContact O-CB 3.49Å; W467-A470 PolarHBondContact O-N 3.19Å; I468-A470 VanDerWaalsContact C-N 3.34Å; I468-A470 PolarHBondContact O-N 3.28Å; A470-L473 PolarHBondContact O-N 3.47Å; A470-E474 WeakPolarHBondContact O-CG 3.48Å; A470-E474 PolarHBondContact O-N 3.31Å; A470-E474 VanDerWaalsContact O-N 3.13Å; A470-I486 HydrophobicContact CB-CG2 4.32Å
471	A	86.4	Confident	85.2	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.2	-48	173.8	0	0	0	0	0	110.3	W467 I468 T469 L473 E474 E475 V483 I486 I487 T521	W467-A471 PolarHBondContact O-N 3.08Å; I468-A471 WeakPolarHBondContact O-CA 3.15Å; I468-A471 VanDerWaalsContact O-CB 3.32Å; I468-A471 WeakPolarHBondContact O-CB 3.08Å; I468-A471 PolarHBondContact O-N 3.24Å; I468-A471 VanDerWaalsContact O-N 3.11Å; T469-A471 VanDerWaalsContact C-N 3.3Å; T469-A471 PolarHBondContact O-N 3.49Å; A471-L473 VanDerWaalsContact C-N 3.29Å; A471-L473 PolarHBondContact O-N 2.99Å; A471-E474 PolarHBondContact O-N 3.41Å; A471-E475 PolarHBondContact O-N 3.23Å; A471-V483 HydrophobicContact CB-CG1 4.32Å; A471-I486 HydrophobicContact CB-CG2 4.43Å; A471-I487 HydrophobicContact CB-CD1 4.22Å; A471-I487 HydrophobicContact CB-CG1 4.14Å; A471-T521 HydrophobicContact CB-CG2 3.68Å; A471-T521 WeakPolarHBondContact O-CG2 3.47Å
472	K	85.6	Confident	85.1	Confident	35 Å²	35	45.7 Å²	45.7	15%	0.152	26%	0.26	C	S	.	.	H	α-helix	trans	-57.6	-39	176.1	-69.3	176.8	71	165.6	0	112.6	I468 T469 E475 A476 A516	I468-K472 HydrophobicContact CG2-CD 4.21Å; I468-K472 HydrophobicContact CG2-CG 4.46Å; I468-K472 WeakPolarHBondContact O-CG 3.36Å; I468-K472 PolarHBondContact O-N 3.49Å; T469-K472 PolarHBondContact O-N 3.27Å; K472-E475 PolarHBondContact O-N 3.06Å; K472-A476 WeakPolarHBondContact O-CB 3.39Å; K472-A476 PolarHBondContact O-N 3.07Å; K472-A516 VanDerWaalsContact NZ-CB 3.34Å
473	L	86.3	Confident	85.1	Confident	25 Å²	25	41.7 Å²	41.7	13%	0.131	24%	0.235	C	C	.	.	H	α-helix	trans	-64.4	-46.7	176.5	-179.1	69.7	0	0	0	111.7	Y446 A449 L453 T469 A470 A471 E475 A476 N477	Y446-L473 HydrophobicContact CD2-CD1 4.49Å; Y446-L473 HydrophobicContact CD2-CD2 4.31Å; Y446-L473 HydrophobicContact CD2-CG 4.07Å; A449-L473 HydrophobicContact CB-CD1 4.17Å; A449-L473 HydrophobicContact CB-CD2 3.55Å; L453-L473 HydrophobicContact CD1-CD2 3.81Å; T469-L473 WeakPolarHBondContact O-CB 3.43Å; T469-L473 PolarHBondContact O-N 3.5Å; A470-L473 PolarHBondContact O-N 3.47Å; A471-L473 VanDerWaalsContact C-N 3.29Å; A471-L473 PolarHBondContact O-N 2.99Å; L473-E475 VanDerWaalsContact C-N 3.3Å; L473-E475 PolarHBondContact O-N 3.23Å; L473-A476 PolarHBondContact O-N 3.21Å; L473-N477 PolarHBondContact O-N 2.93Å; L473-N477 VanDerWaalsContact O-N 3.16Å; L473-N477 PolarHBondContact O-OD1 2.82Å
474	E	85.1	Confident	85.1	Confident	9 Å²	9	45.5 Å²	45.5	4%	0.042	25%	0.252	C	S	.	.	H	α-helix	trans	-63.4	-37	177.6	-68.4	-64.1	166.9	0	0	112.3	Y446 A470 A471 N477 G478 N479 V483 I486	Y446-E474 WeakPolarHBondContact CE2-OE2 3.36Å; Y446-E474 PolarHBondContact OH-OE1 3.25Å; Y446-E474 PolarHBondContact OH-OE2 3.32Å; A470-E474 WeakPolarHBondContact O-CG 3.48Å; A470-E474 PolarHBondContact O-N 3.31Å; A470-E474 VanDerWaalsContact O-N 3.13Å; A471-E474 PolarHBondContact O-N 3.41Å; E474-N477 PolarHBondContact O-N 3.25Å; E474-G478 PolarHBondContact O-N 3.43Å; E474-N479 HydrophobicContact CB-CB 4.3Å; E474-N479 PolarHBondContact O-N 2.94Å; E474-N479 WeakPolarHBondContact OE2-CB 3.46Å; E474-N479 PolarHBondContact OE2-ND2 3.25Å; E474-V483 HydrophobicContact CB-CG2 4.13Å; E474-I486 HydrophobicContact CB-CD1 4.43Å; E474-I486 HydrophobicContact CG-CD1 3.48Å; E474-I486 VanDerWaalsContact CG-CD1 3.48Å
475	E	86.6	Confident	85.1	Confident	30 Å²	30	49 Å²	49	14%	0.14	27%	0.269	C	S	.	.	H	α-helix	trans	-66	-45.6	174.9	-175.1	174.9	-178.9	0	0	112	A471 K472 L473 N477 G478 V483 S518 V519 A520 T521	A471-E475 PolarHBondContact O-N 3.23Å; K472-E475 PolarHBondContact O-N 3.06Å; L473-E475 VanDerWaalsContact C-N 3.3Å; L473-E475 PolarHBondContact O-N 3.23Å; E475-N477 PolarHBondContact O-N 2.96Å; E475-G478 PolarHBondContact O-N 3.33Å; E475-V483 HydrophobicContact CB-CG2 4.16Å; E475-S518 WeakPolarHBondContact OE1-CA 3.37Å; E475-S518 WeakPolarHBondContact OE2-CA 3.44Å; E475-S518 VanDerWaalsContact OE2-CB 3.3Å; E475-S518 WeakPolarHBondContact OE2-CB 3.28Å; E475-V519 PolarHBondContact OE1-N 3.42Å; E475-A520 HydrophobicContact CG-CB 4.32Å; E475-A520 WeakPolarHBondContact OE1-CB 3.47Å; E475-A520 PolarHBondContact OE1-N 2.97Å; E475-A520 PolarHBondContact OE2-N 3.22Å; E475-T521 HydrophobicContact CB-CG2 3.72Å; E475-T521 HydrophobicContact CG-CG2 4.46Å; E475-T521 WeakPolarHBondContact OE2-CB 3.33Å; E475-T521 WeakPolarHBondContact OE2-CG2 3.44Å; E475-T521 PolarHBondContact OE2-N 2.91Å; E475-T521 PolarHBondContact OE2-OG1 3.41Å
476	A	84.9	Confident	85.1	Confident	82 Å²	82	46.8 Å²	46.8	68%	0.678	26%	0.259	S	S	*	.	H	α-helix	trans	-59.5	-28.5	178.2	0	0	0	0	0	112.8	K472 L473	K472-A476 WeakPolarHBondContact O-CB 3.39Å; K472-A476 PolarHBondContact O-N 3.07Å; L473-A476 PolarHBondContact O-N 3.21Å
477	N	82.8	Confident	85	Confident	86 Å²	86	46.8 Å²	46.8	46%	0.46	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	2.4	178	-72.6	96	0	0	0	114.2	Y446 L473 E474 E475	Y446-N477 HydrophobicContact CD2-CB 3.85Å; Y446-N477 VanDerWaalsContact CD2-CG 3.5Å; Y446-N477 WeakPolarHBondContact CD2-OD1 3.38Å; Y446-N477 HydrophobicContact CE2-CB 4.17Å; Y446-N477 HydrophobicContact CG-CB 4.44Å; L473-N477 PolarHBondContact O-N 2.93Å; L473-N477 VanDerWaalsContact O-N 3.16Å; L473-N477 PolarHBondContact O-OD1 2.82Å; E474-N477 PolarHBondContact O-N 3.25Å; E475-N477 PolarHBondContact O-N 2.96Å
478	G	77.7	Confident	84.9	Confident	53 Å²	53	49.8 Å²	49.8	55%	0.546	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	3.8	173.6	0	0	0	0	0	116.1	E474 E475 T480	E474-G478 PolarHBondContact O-N 3.43Å; E475-G478 PolarHBondContact O-N 3.33Å; G478-T480 PolarHBondContact O-N 3.2Å; G478-T480 VanDerWaalsContact O-N 3.16Å
479	N	83.5	Confident	84.9	Confident	77 Å²	77	56.2 Å²	56.2	41%	0.412	30%	0.3	S	S	.	.			trans	-89.2	62.4	179.6	-75	-25.8	0	0	0	112.5	Y446 E474 Q481 M482	Y446-N479 PolarHBondContact OH-ND2 2.81Å; E474-N479 HydrophobicContact CB-CB 4.3Å; E474-N479 PolarHBondContact O-N 2.94Å; E474-N479 WeakPolarHBondContact OE2-CB 3.46Å; E474-N479 PolarHBondContact OE2-ND2 3.25Å; N479-Q481 VanDerWaalsContact C-N 3.31Å; N479-Q481 PolarHBondContact O-N 2.94Å; N479-M482 HydrophobicContact CB-CB 4.43Å; N479-M482 PolarHBondContact O-N 3.32Å
480	T	77.4	Confident	84.9	Confident	83 Å²	83	55.2 Å²	55.2	51%	0.509	29%	0.294	S	S	.	.	H	α-helix	trans	-62.4	-29.5	-173.2	56	0	0	0	0	114.8	G478 V483	G478-T480 PolarHBondContact O-N 3.2Å; G478-T480 VanDerWaalsContact O-N 3.16Å; T480-V483 WeakPolarHBondContact O-CB 3.19Å
481	Q	82.2	Confident	84.8	Confident	160 Å²	160	55.5 Å²	55.5	75%	0.748	30%	0.295	S	S	*	.	H	α-helix	trans	-75	-24.1	179.9	-61.9	176.8	5.7	0	0	113.3	N479 V483	N479-Q481 VanDerWaalsContact C-N 3.31Å; N479-Q481 PolarHBondContact O-N 2.94Å; Q481-V483 VanDerWaalsContact C-N 3.34Å
482	M	83.5	Confident	84.9	Confident	50 Å²	50	60.1 Å²	60.1	25%	0.246	32%	0.323	C	S	.	.	H	α-helix	trans	-79.1	-24.4	-178.5	-168.8	60.2	-167.3	0	0	111.7	N479 E484 K485 I486	N479-M482 HydrophobicContact CB-CB 4.43Å; N479-M482 PolarHBondContact O-N 3.32Å; M482-E484 PolarHBondContact O-N 3.04Å; M482-K485 PolarHBondContact O-N 3.02Å; M482-K485 HydrophobicContact SD-CB 4.26Å; M482-K485 HydrophobicContact SD-CD 4.14Å; M482-I486 HydrophobicContact CE-CG1 4.1Å; M482-I486 HydrophobicContact CG-CD1 3.96Å; M482-I486 HydrophobicContact CG-CG1 4.23Å; M482-I486 WeakPolarHBondContact O-CG1 3.21Å; M482-I486 PolarHBondContact O-N 2.57Å
483	V	84.8	Confident	84.9	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.012	33%	0.329	C	S	.	.	H	α-helix	trans	-53.7	-51.3	179	166.3	0	0	0	0	112.3	A471 E474 E475 T480 Q481 K485 I486 I487 T521 A524	A471-V483 HydrophobicContact CB-CG1 4.32Å; E474-V483 HydrophobicContact CB-CG2 4.13Å; E475-V483 HydrophobicContact CB-CG2 4.16Å; T480-V483 WeakPolarHBondContact O-CB 3.19Å; Q481-V483 VanDerWaalsContact C-N 3.34Å; V483-K485 VanDerWaalsContact C-N 3.35Å; V483-K485 PolarHBondContact O-N 3.14Å; V483-I486 PolarHBondContact O-N 2.63Å; V483-I486 VanDerWaalsContact O-N 3.16Å; V483-I487 HydrophobicContact CG1-CD1 4.2Å; V483-I487 PolarHBondContact O-N 2.9Å; V483-I487 VanDerWaalsContact O-N 3.1Å; V483-T521 HydrophobicContact CB-CG2 4.17Å; V483-T521 HydrophobicContact CG1-CG2 3.35Å; V483-T521 HydrophobicContact CG2-CG2 3.72Å; V483-A524 HydrophobicContact CG1-CB 4.08Å
484	E	84.7	Confident	84.9	Confident	102 Å²	102	59.3 Å²	59.3	48%	0.477	32%	0.323	S	S	.	.	H	α-helix	trans	-61.1	-44.8	-179.6	-173	174.3	-152.8	0	0	111.1	M482 I486 I487 D488 A524	M482-E484 PolarHBondContact O-N 3.04Å; E484-I486 VanDerWaalsContact C-N 3.28Å; E484-I486 PolarHBondContact O-N 3.29Å; E484-I487 PolarHBondContact O-N 3.27Å; E484-D488 PolarHBondContact O-N 3.45Å; E484-A524 HydrophobicContact CB-CB 4.36Å
485	K	87.6	Confident	84.9	Confident	119 Å²	119	66.1 Å²	66.1	52%	0.517	35%	0.349	S	S	.	.	H	α-helix	trans	-62.7	-33	177.2	-63.4	179.7	-178.6	173.7	0	112.9	M482 V483 R489	M482-K485 PolarHBondContact O-N 3.02Å; M482-K485 HydrophobicContact SD-CB 4.26Å; M482-K485 HydrophobicContact SD-CD 4.14Å; V483-K485 VanDerWaalsContact C-N 3.35Å; V483-K485 PolarHBondContact O-N 3.14Å; K485-R489 WeakPolarHBondContact O-CB 3.36Å; K485-R489 WeakPolarHBondContact O-CD 3.48Å; K485-R489 WeakPolarHBondContact O-CG 3.36Å; K485-R489 PolarHBondContact O-N 2.91Å
486	I	87.7	Confident	84.9	Confident	9 Å²	9	68.6 Å²	68.6	5%	0.046	38%	0.375	C	S	.	.	H	α-helix	trans	-70.6	-41.5	177.3	-71.2	169.5	0	0	0	110.3	W467 A470 A471 E474 M482 V483 E484 R489 A490	W467-I486 HydrophobicContact CE3-CG2 3.94Å; W467-I486 HydrophobicContact CZ3-CG2 4.47Å; A470-I486 HydrophobicContact CB-CG2 4.32Å; A471-I486 HydrophobicContact CB-CG2 4.43Å; E474-I486 HydrophobicContact CB-CD1 4.43Å; E474-I486 HydrophobicContact CG-CD1 3.48Å; E474-I486 VanDerWaalsContact CG-CD1 3.48Å; M482-I486 HydrophobicContact CE-CG1 4.1Å; M482-I486 HydrophobicContact CG-CD1 3.96Å; M482-I486 HydrophobicContact CG-CG1 4.23Å; M482-I486 WeakPolarHBondContact O-CG1 3.21Å; M482-I486 PolarHBondContact O-N 2.57Å; V483-I486 PolarHBondContact O-N 2.63Å; V483-I486 VanDerWaalsContact O-N 3.16Å; E484-I486 VanDerWaalsContact C-N 3.28Å; E484-I486 PolarHBondContact O-N 3.29Å; I486-R489 PolarHBondContact O-N 3.34Å; I486-A490 WeakPolarHBondContact O-CB 2.98Å; I486-A490 PolarHBondContact O-N 2.86Å
487	I	86.9	Confident	84.9	Confident	1 Å²	1	68.3 Å²	68.3	1%	0.005	36%	0.361	C	S	.	.	H	α-helix	trans	-69.1	-40.4	-179.9	-68.7	174.8	0	0	0	111.1	A471 V483 E484 R489 A490 I491 W506 T521 A524 A525 A528	A471-I487 HydrophobicContact CB-CD1 4.22Å; A471-I487 HydrophobicContact CB-CG1 4.14Å; V483-I487 HydrophobicContact CG1-CD1 4.2Å; V483-I487 PolarHBondContact O-N 2.9Å; V483-I487 VanDerWaalsContact O-N 3.1Å; E484-I487 PolarHBondContact O-N 3.27Å; I487-R489 VanDerWaalsContact C-N 3.34Å; I487-R489 PolarHBondContact O-N 2.99Å; I487-A490 VanDerWaalsContact O-CB 3.27Å; I487-A490 WeakPolarHBondContact O-CB 3.48Å; I487-A490 PolarHBondContact O-N 3.28Å; I487-A490 VanDerWaalsContact O-N 3.14Å; I487-I491 HydrophobicContact CG2-CD1 4.04Å; I487-I491 WeakPolarHBondContact O-CG1 3.49Å; I487-I491 PolarHBondContact O-N 3.46Å; I487-W506 HydrophobicContact CG2-CZ3 4.45Å; I487-T521 WeakPolarHBondContact CD1-O 3.35Å; I487-A524 HydrophobicContact CD1-CB 3.71Å; I487-A525 HydrophobicContact CD1-CB 4.01Å; I487-A528 HydrophobicContact CG2-CB 4.02Å
488	D	87.4	Confident	84.7	Confident	85 Å²	85	67.3 Å²	67.3	46%	0.455	37%	0.371	S	S	.	.	H	α-helix	trans	-61.6	-42.6	173.6	-76.8	-19.2	0	0	0	112	E484 A490 I491 T492	E484-D488 PolarHBondContact O-N 3.45Å; D488-A490 VanDerWaalsContact C-N 3.32Å; D488-A490 PolarHBondContact O-N 3Å; D488-I491 PolarHBondContact O-N 3.03Å; D488-T492 WeakPolarHBondContact O-CB 3.46Å; D488-T492 PolarHBondContact O-N 3.47Å; D488-T492 PolarHBondContact O-OG1 3.03Å
489	R	87.8	Confident	84.8	Confident	146 Å²	146	67.6 Å²	67.6	55%	0.551	36%	0.363	S	S	*	.	H	α-helix	trans	-64.4	-37.7	174	-73.8	171.8	-174.1	-177.4	1.3	111.8	W467 K485 I486 I487 T492 S493	W467-R489 HydrophobicContact CH2-CB 4.39Å; W467-R489 HydrophobicContact CZ3-CB 4.05Å; K485-R489 WeakPolarHBondContact O-CB 3.36Å; K485-R489 WeakPolarHBondContact O-CD 3.48Å; K485-R489 WeakPolarHBondContact O-CG 3.36Å; K485-R489 PolarHBondContact O-N 2.91Å; I486-R489 PolarHBondContact O-N 3.34Å; I487-R489 VanDerWaalsContact C-N 3.34Å; I487-R489 PolarHBondContact O-N 2.99Å; R489-T492 PolarHBondContact O-N 3.46Å; R489-S493 VanDerWaalsContact O-CB 3.31Å; R489-S493 WeakPolarHBondContact O-CB 3.23Å; R489-S493 PolarHBondContact O-N 3.38Å
490	A	86.7	Confident	84.3	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-60.3	-53.7	176.6	0	0	0	0	0	110.7	W467 I486 I487 D488 T492 S493 L494 W506	W467-A490 HydrophobicContact CB-CB 3.38Å; W467-A490 HydrophobicContact CD2-CB 3.42Å; W467-A490 VanDerWaalsContact CD2-CB 3.42Å; W467-A490 HydrophobicContact CE3-CB 3.64Å; W467-A490 HydrophobicContact CG-CB 3.3Å; I486-A490 WeakPolarHBondContact O-CB 2.98Å; I486-A490 PolarHBondContact O-N 2.86Å; I487-A490 VanDerWaalsContact O-CB 3.27Å; I487-A490 WeakPolarHBondContact O-CB 3.48Å; I487-A490 PolarHBondContact O-N 3.28Å; I487-A490 VanDerWaalsContact O-N 3.14Å; D488-A490 VanDerWaalsContact C-N 3.32Å; D488-A490 PolarHBondContact O-N 3Å; A490-T492 VanDerWaalsContact C-N 3.28Å; A490-T492 PolarHBondContact O-N 3.45Å; A490-S493 PolarHBondContact O-N 2.84Å; A490-L494 VanDerWaalsContact O-CB 3.26Å; A490-L494 WeakPolarHBondContact O-CB 3.43Å; A490-L494 WeakPolarHBondContact O-CG 3.13Å; A490-L494 PolarHBondContact O-N 3.45Å; A490-W506 HydrophobicContact CB-CH2 4.43Å
491	I	85.3	Confident	84.3	Confident	12 Å²	12	69.3 Å²	69.3	6%	0.062	36%	0.363	C	S	.	.	H	α-helix	trans	-60	-40.7	179.6	-72.4	166.1	0	0	0	111	I487 D488 R495 I501 W506 A528 V529 I532	I487-I491 HydrophobicContact CG2-CD1 4.04Å; I487-I491 WeakPolarHBondContact O-CG1 3.49Å; I487-I491 PolarHBondContact O-N 3.46Å; D488-I491 PolarHBondContact O-N 3.03Å; I491-R495 WeakPolarHBondContact O-CB 3.47Å; I491-R495 PolarHBondContact O-N 3.28Å; I491-I501 HydrophobicContact CB-CD1 4.48Å; I491-I501 HydrophobicContact CG2-CD1 3.63Å; I491-W506 HydrophobicContact CG1-CH2 3.88Å; I491-W506 HydrophobicContact CG1-CZ2 4.24Å; I491-W506 HydrophobicContact CG1-CZ3 4.41Å; I491-A528 HydrophobicContact CD1-CB 3.35Å; I491-V529 HydrophobicContact CD1-CG2 4.48Å; I491-I532 HydrophobicContact CG2-CD1 4.21Å
492	T	88.1	Confident	84.2	Confident	97 Å²	97	65.3 Å²	65.3	60%	0.595	35%	0.347	S	S	*	.	H	α-helix	trans	-63.8	-47.2	176.7	-54.7	0	0	0	0	111.7	D488 R489 A490 A496	D488-T492 WeakPolarHBondContact O-CB 3.46Å; D488-T492 PolarHBondContact O-N 3.47Å; D488-T492 PolarHBondContact O-OG1 3.03Å; R489-T492 PolarHBondContact O-N 3.46Å; A490-T492 VanDerWaalsContact C-N 3.28Å; A490-T492 PolarHBondContact O-N 3.45Å; T492-A496 WeakPolarHBondContact O-CB 3.28Å; T492-A496 PolarHBondContact O-N 3.43Å
493	S	86.3	Confident	83.9	Confident	39 Å²	39	65.4 Å²	65.4	27%	0.273	35%	0.345	S	S	.	.	H	α-helix	trans	-67.7	-40.3	179.9	-171.8	0	0	0	0	112.3	R489 A490 A496 N497	R489-S493 VanDerWaalsContact O-CB 3.31Å; R489-S493 WeakPolarHBondContact O-CB 3.23Å; R489-S493 PolarHBondContact O-N 3.38Å; A490-S493 PolarHBondContact O-N 2.84Å; S493-A496 PolarHBondContact O-N 3.08Å; S493-N497 WeakPolarHBondContact O-CB 3.31Å; S493-N497 VanDerWaalsContact O-CG 3.26Å; S493-N497 PolarHBondContact O-N 3.4Å; S493-N497 PolarHBondContact O-ND2 3.06Å
494	L	85.8	Confident	83.7	Confident	3 Å²	3	72 Å²	72	2%	0.016	38%	0.375	C	S	.	.	H	α-helix	trans	-68.2	-40	178.8	-70.9	170.6	0	0	0	110.9	T462 R464 A490 N497 G498 V499 W506	T462-L494 WeakPolarHBondContact O-CD2 3.41Å; R464-L494 HydrophobicContact CB-CD1 3.81Å; A490-L494 VanDerWaalsContact O-CB 3.26Å; A490-L494 WeakPolarHBondContact O-CB 3.43Å; A490-L494 WeakPolarHBondContact O-CG 3.13Å; A490-L494 PolarHBondContact O-N 3.45Å; L494-N497 PolarHBondContact O-N 2.82Å; L494-G498 PolarHBondContact O-N 3.29Å; L494-V499 HydrophobicContact CB-CG1 3.54Å; L494-V499 HydrophobicContact CD2-CG1 3.7Å; L494-V499 HydrophobicContact CG-CG1 4.15Å; L494-V499 WeakPolarHBondContact O-CG1 3.39Å; L494-V499 PolarHBondContact O-N 3.25Å; L494-V499 VanDerWaalsContact O-N 3.14Å; L494-W506 HydrophobicContact CD1-CH2 4.16Å; L494-W506 HydrophobicContact CD1-CZ2 3.62Å
495	R	85.3	Confident	83.7	Confident	152 Å²	152	70.6 Å²	70.6	57%	0.574	37%	0.368	S	S	*	.	H	α-helix	trans	-63.6	-40.6	171.9	-171.6	-179.5	-63.5	171.2	1.6	112	I491 N497 G498	I491-R495 WeakPolarHBondContact O-CB 3.47Å; I491-R495 PolarHBondContact O-N 3.28Å; R495-N497 VanDerWaalsContact C-N 3.28Å; R495-N497 PolarHBondContact O-N 3.32Å; R495-G498 PolarHBondContact O-N 2.8Å; R495-G498 VanDerWaalsContact O-N 3.17Å
496	A	87.6	Confident	83.6	Confident	83 Å²	83	65.2 Å²	65.2	69%	0.686	35%	0.345	S	S	*	.	H	α-helix	trans	-64.6	-33.1	176.5	0	0	0	0	0	112.7	T492 S493 G498	T492-A496 WeakPolarHBondContact O-CB 3.28Å; T492-A496 PolarHBondContact O-N 3.43Å; S493-A496 PolarHBondContact O-N 3.08Å; A496-G498 VanDerWaalsContact C-N 3.28Å; A496-G498 PolarHBondContact O-N 3.01Å
497	N	83.9	Confident	83.4	Confident	75 Å²	75	65.5 Å²	65.5	40%	0.401	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	1.6	176.4	-66.3	-24	0	0	0	113.6	P461 S493 L494 R495	P461-N497 WeakPolarHBondContact CB-ND2 3.3Å; P461-N497 PolarHBondContact O-ND2 3.27Å; S493-N497 WeakPolarHBondContact O-CB 3.31Å; S493-N497 VanDerWaalsContact O-CG 3.26Å; S493-N497 PolarHBondContact O-N 3.4Å; S493-N497 PolarHBondContact O-ND2 3.06Å; L494-N497 PolarHBondContact O-N 2.82Å; R495-N497 VanDerWaalsContact C-N 3.28Å; R495-N497 PolarHBondContact O-N 3.32Å
498	G	78.3	Confident	83.4	Confident	65 Å²	65	70.8 Å²	70.8	67%	0.67	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	17.5	173.4	0	0	0	0	0	115.8	L494 R495 A496	L494-G498 PolarHBondContact O-N 3.29Å; R495-G498 PolarHBondContact O-N 2.8Å; R495-G498 VanDerWaalsContact O-N 3.17Å; A496-G498 VanDerWaalsContact C-N 3.28Å; A496-G498 PolarHBondContact O-N 3.01Å
499	V	80.8	Confident	83.3	Confident	60 Å²	60	67.3 Å²	67.3	36%	0.364	35%	0.352	S	S	.	.			trans	-86.3	124	171.7	66.3	0	0	0	0	110.3	L494	L494-V499 HydrophobicContact CB-CG1 3.54Å; L494-V499 HydrophobicContact CD2-CG1 3.7Å; L494-V499 HydrophobicContact CG-CG1 4.15Å; L494-V499 WeakPolarHBondContact O-CG1 3.39Å; L494-V499 PolarHBondContact O-N 3.25Å; L494-V499 VanDerWaalsContact O-N 3.14Å
500	E	73.1	Confident	83.2	Confident	164 Å²	164	60.4 Å²	60.4	77%	0.766	33%	0.327	S	S	*	.			trans	-67.3	134.7	173.9	-67.9	-175.5	173	0	0	110.3	N502	E500-N502 PolarHBondContact O-N 2.8Å
501	I	76.9	Confident	83.1	Confident	31 Å²	31	61 Å²	61	16%	0.159	33%	0.33	C	S	.	.			trans	-80.9	92.5	-177.7	-59.2	167.2	0	0	0	107.4	I491 R503 W506 V529 I532	I491-I501 HydrophobicContact CB-CD1 4.48Å; I491-I501 HydrophobicContact CG2-CD1 3.63Å; I501-R503 PolarHBondContact O-N 3.41Å; I501-R503 VanDerWaalsContact O-N 3.11Å; I501-W506 HydrophobicContact CG2-CG 4.3Å; I501-V529 HydrophobicContact CG2-CG2 4.38Å; I501-I532 HydrophobicContact CD1-CD1 3.96Å
502	N	79.3	Confident	83.1	Confident	77 Å²	77	65 Å²	65	41%	0.412	35%	0.348	S	S	.	.			trans	-68.9	107	175.4	-75.3	-28.1	0	0	0	110.7	E500 E504 Q505 W506	E500-N502 PolarHBondContact O-N 2.8Å; N502-E504 VanDerWaalsContact C-N 3.3Å; N502-E504 PolarHBondContact O-N 2.88Å; N502-Q505 HydrophobicContact CB-CB 4.06Å; N502-Q505 HydrophobicContact CB-CG 3.88Å; N502-Q505 PolarHBondContact ND2-OE1 2.86Å; N502-Q505 PolarHBondContact O-N 2.95Å; N502-Q505 VanDerWaalsContact O-N 3.14Å; N502-W506 VanDerWaalsContact O-CD1 3.29Å; N502-W506 PolarHBondContact O-N 3.25Å
503	R	77.4	Confident	82.9	Confident	52 Å²	52	60.5 Å²	60.5	20%	0.196	32%	0.321	C	S	.	.	H	α-helix	trans	-52.2	-44.7	-177.7	-160.5	-177.2	78.1	79.4	-2.7	113.6	I501 W506 I507 V529 D546	I501-R503 PolarHBondContact O-N 3.41Å; I501-R503 VanDerWaalsContact O-N 3.11Å; R503-W506 PolarHBondContact O-N 2.95Å; R503-I507 HydrophobicContact CG-CD1 4.23Å; R503-I507 VanDerWaalsContact NH1-CD1 3.26Å; R503-I507 VanDerWaalsContact O-CG1 3.31Å; R503-I507 WeakPolarHBondContact O-CG1 3.23Å; R503-I507 PolarHBondContact O-N 3.22Å; R503-V529 HydrophobicContact CB-CG1 4.49Å; R503-V529 HydrophobicContact CG-CG1 4Å; R503-D546 IonicContact CZ-OD1 2.82Å; R503-D546 IonicContact CZ-OD2 3.74Å; R503-D546 IonicContact NH1-OD1 3.26Å; R503-D546 PolarHBondContact NH1-OD1 3.39Å; R503-D546 IonicContact NH1-OD2 2.83Å; R503-D546 PolarHBondContact NH1-OD2 3.43Å; R503-D546 IonicContact NH2-OD1 2.87Å; R503-D546 PolarHBondContact NH2-OD1 2.87Å; R503-D546 IonicContact NH2-OD2 3.75Å; R503-D546 PolarHBondContact NH2-OD2 2.89Å; R503-D546 VanDerWaalsContact NH2-OD2 3.14Å
504	E	81.5	Confident	82.7	Confident	140 Å²	140	59.8 Å²	59.8	65%	0.654	31%	0.314	S	S	*	.	H	α-helix	trans	-64.2	-42	-179.9	-66.8	175.1	-175.2	0	0	112.5	N502 I507 Q508	N502-E504 VanDerWaalsContact C-N 3.3Å; N502-E504 PolarHBondContact O-N 2.88Å; E504-I507 PolarHBondContact O-N 2.9Å; E504-Q508 VanDerWaalsContact O-CG 3.31Å; E504-Q508 WeakPolarHBondContact O-CG 3.34Å; E504-Q508 PolarHBondContact O-N 3.2Å
505	Q	84.5	Confident	82.6	Confident	72 Å²	72	68 Å²	68	34%	0.336	34%	0.344	S	S	.	.	H	α-helix	trans	-67.6	-39.1	-179	-65.4	-179.4	-12.3	0	0	111.5	R464 N502 Q508 D509	R464-Q505 VanDerWaalsContact NH2-CD 3.31Å; N502-Q505 HydrophobicContact CB-CB 4.06Å; N502-Q505 HydrophobicContact CB-CG 3.88Å; N502-Q505 PolarHBondContact ND2-OE1 2.86Å; N502-Q505 PolarHBondContact O-N 2.95Å; N502-Q505 VanDerWaalsContact O-N 3.14Å; Q505-Q508 PolarHBondContact O-N 2.92Å; Q505-D509 PolarHBondContact O-N 3.19Å
506	W	86	Confident	82.5	Confident	7 Å²	7	63.5 Å²	63.5	3%	0.027	34%	0.34	C	S	.	.	H	α-helix	trans	-70.3	-33.4	175.9	-81.7	82.8	0	0	0	112.9	R464 I468 I487 A490 I491 L494 I501 N502 R503 A510 V529	R464-W506 HydrophobicContact CB-CH2 4.47Å; R464-W506 HydrophobicContact CB-CZ2 3.91Å; I468-W506 HydrophobicContact CD1-CE3 4.07Å; I468-W506 HydrophobicContact CD1-CH2 4.46Å; I468-W506 HydrophobicContact CD1-CZ3 3.65Å; I468-W506 HydrophobicContact CG1-CZ3 4.46Å; I487-W506 HydrophobicContact CG2-CZ3 4.45Å; A490-W506 HydrophobicContact CB-CH2 4.43Å; I491-W506 HydrophobicContact CG1-CH2 3.88Å; I491-W506 HydrophobicContact CG1-CZ2 4.24Å; I491-W506 HydrophobicContact CG1-CZ3 4.41Å; L494-W506 HydrophobicContact CD1-CH2 4.16Å; L494-W506 HydrophobicContact CD1-CZ2 3.62Å; I501-W506 HydrophobicContact CG2-CG 4.3Å; N502-W506 VanDerWaalsContact O-CD1 3.29Å; N502-W506 PolarHBondContact O-N 3.25Å; R503-W506 PolarHBondContact O-N 2.95Å; W506-A510 WeakPolarHBondContact O-CB 3.33Å; W506-A510 PolarHBondContact O-N 3.44Å; W506-V529 HydrophobicContact CB-CB 4.23Å; W506-V529 HydrophobicContact CB-CG1 3.73Å; W506-V529 HydrophobicContact CB-CG2 3.76Å; W506-V529 HydrophobicContact CD2-CG2 3.66Å; W506-V529 HydrophobicContact CE3-CG2 3.6Å; W506-V529 HydrophobicContact CG-CG1 4.31Å; W506-V529 HydrophobicContact CG-CG2 3.76Å; W506-V529 HydrophobicContact CZ3-CG2 4.38Å
507	I	83.6	Confident	82.2	Confident	15 Å²	15	62.2 Å²	62.2	8%	0.077	34%	0.335	C	S	.	.	H	α-helix	trans	-67.2	-43.8	171.2	-69.8	168.9	0	0	0	109.9	R503 E504 D509 A510 E511 D546 C550	R503-I507 HydrophobicContact CG-CD1 4.23Å; R503-I507 VanDerWaalsContact NH1-CD1 3.26Å; R503-I507 VanDerWaalsContact O-CG1 3.31Å; R503-I507 WeakPolarHBondContact O-CG1 3.23Å; R503-I507 PolarHBondContact O-N 3.22Å; E504-I507 PolarHBondContact O-N 2.9Å; I507-D509 VanDerWaalsContact C-N 3.32Å; I507-D509 PolarHBondContact O-N 3.34Å; I507-A510 CarbonylContact O-C 3.6Å; I507-A510 WeakPolarHBondContact O-CA 3.48Å; I507-A510 WeakPolarHBondContact O-CB 3.16Å; I507-A510 PolarHBondContact O-N 3.02Å; I507-A510 VanDerWaalsContact O-N 3.08Å; I507-E511 HydrophobicContact CG2-CG 4.35Å; I507-E511 WeakPolarHBondContact O-CG 3.25Å; I507-E511 PolarHBondContact O-N 3.14Å; I507-D546 HydrophobicContact CD1-CB 4.42Å; I507-C550 WeakPolarHBondContact CG2-SG 3.44Å
508	Q	86.3	Confident	82.2	Confident	112 Å²	112	59.4 Å²	59.4	52%	0.523	32%	0.321	S	S	.	.	H	α-helix	trans	-59.5	-41.7	174.2	-74	174	2.2	0	0	112.3	E504 Q505 A510 E511 E512	E504-Q508 VanDerWaalsContact O-CG 3.31Å; E504-Q508 WeakPolarHBondContact O-CG 3.34Å; E504-Q508 PolarHBondContact O-N 3.2Å; Q505-Q508 PolarHBondContact O-N 2.92Å; Q508-A510 VanDerWaalsContact C-N 3.28Å; Q508-A510 PolarHBondContact O-N 3.03Å; Q508-E511 PolarHBondContact O-N 3.34Å; Q508-E512 PolarHBondContact O-N 3.37Å
509	D	85.8	Confident	82.4	Confident	11 Å²	11	58.8 Å²	58.8	6%	0.059	30%	0.304	C	S	.	.	H	α-helix	trans	-61.8	-38.6	174.8	-69.5	-20	0	0	0	111.2	R464 H465 Q505 I507 C513	R464-D509 WeakPolarHBondContact CD-OD2 3.44Å; R464-D509 IonicContact CZ-OD2 2.59Å; R464-D509 IonicContact NE-OD2 3.31Å; R464-D509 VanDerWaalsContact NH1-CG 3.34Å; R464-D509 IonicContact NH1-OD1 3.84Å; R464-D509 PolarHBondContact NH1-OD1 3.27Å; R464-D509 IonicContact NH1-OD2 2.87Å; R464-D509 PolarHBondContact NH1-OD2 2.94Å; H465-D509 IonicContact CE1-OD1 3.73Å; H465-D509 PolarHBondContact CE1-OD1 3.03Å; H465-D509 IonicContact CE1-OD2 3.74Å; H465-D509 IonicContact ND1-OD1 3.8Å; H465-D509 IonicContact NE2-OD1 2.85Å; Q505-D509 PolarHBondContact O-N 3.19Å; I507-D509 VanDerWaalsContact C-N 3.32Å; I507-D509 PolarHBondContact O-N 3.34Å; D509-C513 WeakPolarHBondContact O-CB 3.47Å; D509-C513 PolarHBondContact O-N 3.29Å
510	A	84.9	Confident	82.4	Confident	2 Å²	2	57 Å²	57	2%	0.017	30%	0.296	C	S	.	.	H	α-helix	trans	-67.3	-40.3	173.8	0	0	0	0	0	112	W506 I507 Q508 C513 D514 C522 V526 C558	W506-A510 WeakPolarHBondContact O-CB 3.33Å; W506-A510 PolarHBondContact O-N 3.44Å; I507-A510 CarbonylContact O-C 3.6Å; I507-A510 WeakPolarHBondContact O-CA 3.48Å; I507-A510 WeakPolarHBondContact O-CB 3.16Å; I507-A510 PolarHBondContact O-N 3.02Å; I507-A510 VanDerWaalsContact O-N 3.08Å; Q508-A510 VanDerWaalsContact C-N 3.28Å; Q508-A510 PolarHBondContact O-N 3.03Å; A510-C513 VanDerWaalsContact O-CB 3.3Å; A510-C513 WeakPolarHBondContact O-CB 3.38Å; A510-C513 PolarHBondContact O-N 2.99Å; A510-D514 PolarHBondContact O-N 3.49Å; A510-C522 HydrophobicContact CB-CB 4.07Å; A510-C522 PolarHBondContact O-SG 3.45Å; A510-C522 VanDerWaalsContact O-SG 3.41Å; A510-V526 HydrophobicContact CB-CG2 3.5Å; A510-C558 VanDerWaalsContact C-SG 3.51Å; A510-C558 PolarHBondContact O-SG 3.14Å
511	E	84.8	Confident	82.8	Confident	13 Å²	13	49.3 Å²	49.3	6%	0.061	26%	0.26	C	S	.	.	H	α-helix	trans	-65.1	-38.4	175.7	-67.9	179.8	169.8	0	0	112.4	I507 Q508 R515 C550 H553 A555	I507-E511 HydrophobicContact CG2-CG 4.35Å; I507-E511 WeakPolarHBondContact O-CG 3.25Å; I507-E511 PolarHBondContact O-N 3.14Å; Q508-E511 PolarHBondContact O-N 3.34Å; E511-R515 PolarHBondContact O-N 3.15Å; E511-R515 VanDerWaalsContact O-N 3.14Å; E511-R515 PolarHBondContact O-NE 2.94Å; E511-C550 WeakPolarHBondContact OE1-CA 3.43Å; E511-C550 PolarHBondContact OE1-SG 3.44Å; E511-H553 IonicContact OE1-CG 2.84Å; E511-H553 IonicContact OE1-ND1 3.54Å; E511-H553 PolarHBondContact OE1-ND1 2.83Å; E511-H553 IonicContact OE2-CG 3.25Å; E511-H553 IonicContact OE2-ND1 2.77Å; E511-A555 HydrophobicContact CB-CB 3.94Å; E511-A555 HydrophobicContact CG-CB 3.64Å
512	E	84.4	Confident	83	Confident	96 Å²	96	47.9 Å²	47.9	45%	0.449	25%	0.253	S	S	.	.	H	α-helix	trans	-68	-39.2	172.9	-172.5	-172.6	158.5	0	0	111.4	Q508 D514 R515 A516	Q508-E512 PolarHBondContact O-N 3.37Å; E512-D514 VanDerWaalsContact C-N 3.33Å; E512-R515 PolarHBondContact O-N 2.92Å; E512-A516 WeakPolarHBondContact O-CB 3.48Å; E512-A516 PolarHBondContact O-N 3.4Å
513	C	83.8	Confident	83.1	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.014	25%	0.246	C	C	.	.	H	α-helix	trans	-60.1	-41.4	174.5	161.2	0	0	0	0	112.1	D509 A510 A516 G517 S518 T521 C522	D509-C513 WeakPolarHBondContact O-CB 3.47Å; D509-C513 PolarHBondContact O-N 3.29Å; A510-C513 VanDerWaalsContact O-CB 3.3Å; A510-C513 WeakPolarHBondContact O-CB 3.38Å; A510-C513 PolarHBondContact O-N 2.99Å; C513-A516 CarbonylContact O-C 3.49Å; C513-A516 WeakPolarHBondContact O-CA 3.49Å; C513-A516 WeakPolarHBondContact O-CB 3.32Å; C513-A516 PolarHBondContact O-N 2.92Å; C513-A516 VanDerWaalsContact O-N 3.13Å; C513-G517 PolarHBondContact O-N 3.09Å; C513-S518 PolarHBondContact O-N 3.26Å; C513-S518 VanDerWaalsContact O-N 3.14Å; C513-S518 PolarHBondContact SG-O 3.17Å; C513-T521 PolarHBondContact SG-OG1 3.43Å; C513-C522 HydrophobicContact CB-CB 4.09Å; C513-C522 WeakPolarHBondContact CB-SG 3.48Å; C513-C522 VanDerWaalsContact SG-CA 3.57Å; C513-C522 WeakPolarHBondContact SG-CB 3.4Å; C513-C522 PolarHBondContact SG-N 3.21Å; C513-C522 CovalentContact SG-SG 2.06Å; C513-C522 PolarHBondContact SG-SG 3.49Å
514	D	82.6	Confident	83.3	Confident	24 Å²	24	44.9 Å²	44.9	13%	0.128	24%	0.24	C	C	.	.	H	α-helix	trans	-67.2	-43.9	178.3	-165.4	12.3	0	0	0	110.3	A510 E512 A516 G517 C522 A555 L556 E557 C558	A510-D514 PolarHBondContact O-N 3.49Å; E512-D514 VanDerWaalsContact C-N 3.33Å; D514-A516 PolarHBondContact O-N 3.25Å; D514-G517 PolarHBondContact O-N 3.07Å; D514-C522 PolarHBondContact N-SG 3.19Å; D514-A555 HydrophobicContact CB-CB 4.31Å; D514-A555 WeakPolarHBondContact OD2-CA 3.28Å; D514-L556 PolarHBondContact OD2-N 3.18Å; D514-L556 VanDerWaalsContact OD2-N 3.11Å; D514-E557 WeakPolarHBondContact OD1-CB 3.42Å; D514-E557 WeakPolarHBondContact OD1-CG 3.4Å; D514-E557 PolarHBondContact OD2-N 2.84Å; D514-C558 PolarHBondContact OD2-N 2.78Å
515	R	84.1	Confident	83.4	Confident	175 Å²	175	38.3 Å²	38.3	66%	0.66	21%	0.209	S	C	*	.	H	α-helix	trans	-59.4	-30.1	171.5	-78.7	-178.1	-82.9	141.1	-8.6	113.3	E511 E512 G517	E511-R515 PolarHBondContact O-N 3.15Å; E511-R515 VanDerWaalsContact O-N 3.14Å; E511-R515 PolarHBondContact O-NE 2.94Å; E512-R515 PolarHBondContact O-N 2.92Å; R515-G517 VanDerWaalsContact C-N 3.31Å
516	A	82.4	Confident	83.3	Confident	58 Å²	58	35 Å²	35	48%	0.479	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-3.5	175.7	0	0	0	0	0	113.8	K472 E512 C513 D514	K472-A516 VanDerWaalsContact NZ-CB 3.34Å; E512-A516 WeakPolarHBondContact O-CB 3.48Å; E512-A516 PolarHBondContact O-N 3.4Å; C513-A516 CarbonylContact O-C 3.49Å; C513-A516 WeakPolarHBondContact O-CA 3.49Å; C513-A516 WeakPolarHBondContact O-CB 3.32Å; C513-A516 PolarHBondContact O-N 2.92Å; C513-A516 VanDerWaalsContact O-N 3.13Å; D514-A516 PolarHBondContact O-N 3.25Å
517	G	81.9	Confident	83	Confident	56 Å²	56	39 Å²	39	58%	0.577	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.5	11.3	177.7	0	0	0	0	0	115.4	C513 D514 R515 V519	C513-G517 PolarHBondContact O-N 3.09Å; D514-G517 PolarHBondContact O-N 3.07Å; R515-G517 VanDerWaalsContact C-N 3.31Å; G517-V519 PolarHBondContact O-N 3.34Å
518	S	83.2	Confident	82.6	Confident	16 Å²	16	39.5 Å²	39.5	11%	0.112	22%	0.215	C	C	.	.			trans	-94.3	63.7	-179.9	-54.1	0	0	0	0	111.5	E475 C513 A520 T521 C522	E475-S518 WeakPolarHBondContact OE1-CA 3.37Å; E475-S518 WeakPolarHBondContact OE2-CA 3.44Å; E475-S518 VanDerWaalsContact OE2-CB 3.3Å; E475-S518 WeakPolarHBondContact OE2-CB 3.28Å; C513-S518 PolarHBondContact O-N 3.26Å; C513-S518 VanDerWaalsContact O-N 3.14Å; C513-S518 PolarHBondContact SG-O 3.17Å; S518-A520 PolarHBondContact O-N 3.4Å; S518-T521 WeakPolarHBondContact CB-OG1 3.47Å; S518-T521 PolarHBondContact O-N 3.49Å; S518-T521 PolarHBondContact O-OG1 3.12Å; S518-C522 PolarHBondContact O-N 2.82Å; S518-C522 PolarHBondContact O-SG 2.61Å
519	V	82.8	Confident	82.2	Confident	51 Å²	51	34.3 Å²	34.3	31%	0.309	19%	0.191	S	C	.	.	H	α-helix	trans	-62.5	-34.2	-166.6	-57.5	0	0	0	0	115.1	E475 G517 C522 Q523 E557	E475-V519 PolarHBondContact OE1-N 3.42Å; G517-V519 PolarHBondContact O-N 3.34Å; V519-C522 PolarHBondContact O-N 3.13Å; V519-Q523 VanDerWaalsContact O-CG 3.28Å; V519-Q523 WeakPolarHBondContact O-CG 3.31Å; V519-Q523 PolarHBondContact O-N 2.94Å; V519-E557 HydrophobicContact CB-CB 4.32Å; V519-E557 HydrophobicContact CB-CG 4.36Å; V519-E557 HydrophobicContact CG1-CB 4.15Å; V519-E557 HydrophobicContact CG1-CG 3.76Å
520	A	81.9	Confident	81.6	Confident	24 Å²	24	33.9 Å²	33.9	20%	0.198	19%	0.189	C	C	.	.	H	α-helix	trans	-72.8	-35.6	-175.7	0	0	0	0	0	111.9	E475 S518 Q523 A524	E475-A520 HydrophobicContact CG-CB 4.32Å; E475-A520 WeakPolarHBondContact OE1-CB 3.47Å; E475-A520 PolarHBondContact OE1-N 2.97Å; E475-A520 PolarHBondContact OE2-N 3.22Å; S518-A520 PolarHBondContact O-N 3.4Å; A520-Q523 PolarHBondContact O-N 2.85Å; A520-A524 PolarHBondContact O-N 3.3Å
521	T	81.2	Confident	80.9	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.012	20%	0.2	C	C	.	.	H	α-helix	trans	-67.6	-39.6	175.3	54.3	0	0	0	0	111.5	A471 E475 V483 I487 C513 S518 A524 A525	A471-T521 HydrophobicContact CB-CG2 3.68Å; A471-T521 WeakPolarHBondContact O-CG2 3.47Å; E475-T521 HydrophobicContact CB-CG2 3.72Å; E475-T521 HydrophobicContact CG-CG2 4.46Å; E475-T521 WeakPolarHBondContact OE2-CB 3.33Å; E475-T521 WeakPolarHBondContact OE2-CG2 3.44Å; E475-T521 PolarHBondContact OE2-N 2.91Å; E475-T521 PolarHBondContact OE2-OG1 3.41Å; V483-T521 HydrophobicContact CB-CG2 4.17Å; V483-T521 HydrophobicContact CG1-CG2 3.35Å; V483-T521 HydrophobicContact CG2-CG2 3.72Å; I487-T521 WeakPolarHBondContact CD1-O 3.35Å; C513-T521 PolarHBondContact SG-OG1 3.43Å; S518-T521 WeakPolarHBondContact CB-OG1 3.47Å; S518-T521 PolarHBondContact O-N 3.49Å; S518-T521 PolarHBondContact O-OG1 3.12Å; T521-A524 PolarHBondContact O-N 2.93Å; T521-A525 WeakPolarHBondContact O-CB 3.42Å; T521-A525 PolarHBondContact O-N 3.05Å
522	C	81.5	Confident	80.4	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.007	21%	0.21	C	C	.	.	H	α-helix	trans	-67.2	-41.4	175	-26.6	0	0	0	0	110.7	A510 C513 D514 S518 V519 A524 A525 V526 C558	A510-C522 HydrophobicContact CB-CB 4.07Å; A510-C522 PolarHBondContact O-SG 3.45Å; A510-C522 VanDerWaalsContact O-SG 3.41Å; C513-C522 HydrophobicContact CB-CB 4.09Å; C513-C522 WeakPolarHBondContact CB-SG 3.48Å; C513-C522 VanDerWaalsContact SG-CA 3.57Å; C513-C522 WeakPolarHBondContact SG-CB 3.4Å; C513-C522 PolarHBondContact SG-N 3.21Å; C513-C522 CovalentContact SG-SG 2.06Å; C513-C522 PolarHBondContact SG-SG 3.49Å; D514-C522 PolarHBondContact N-SG 3.19Å; S518-C522 PolarHBondContact O-N 2.82Å; S518-C522 PolarHBondContact O-SG 2.61Å; V519-C522 PolarHBondContact O-N 3.13Å; C522-A524 VanDerWaalsContact C-N 3.34Å; C522-A524 PolarHBondContact O-N 3.4Å; C522-A525 PolarHBondContact O-N 2.64Å; C522-V526 WeakPolarHBondContact O-CB 2.99Å; C522-V526 WeakPolarHBondContact O-CG2 3.26Å; C522-V526 PolarHBondContact O-N 3.05Å; C522-C558 VanDerWaalsContact CB-SG 3.58Å
523	Q	80.8	Confident	79.5	Confident	56 Å²	56	36.1 Å²	36.1	26%	0.262	23%	0.229	S	C	.	.	H	α-helix	trans	-57.3	-45.3	175.3	-75.2	176.4	18.1	0	0	112.6	V519 A520 R527 A561	V519-Q523 VanDerWaalsContact O-CG 3.28Å; V519-Q523 WeakPolarHBondContact O-CG 3.31Å; V519-Q523 PolarHBondContact O-N 2.94Å; A520-Q523 PolarHBondContact O-N 2.85Å; Q523-R527 WeakPolarHBondContact O-CB 3.43Å; Q523-R527 VanDerWaalsContact O-CG 3.26Å; Q523-R527 WeakPolarHBondContact O-CG 3.18Å; Q523-R527 PolarHBondContact O-N 3.21Å; Q523-A561 HydrophobicContact CB-CB 4.09Å; Q523-A561 HydrophobicContact CG-CB 3.7Å
524	A	81.7	Confident	78.8	Confident	9 Å²	9	37.1 Å²	37.1	7%	0.074	23%	0.234	C	C	.	.	H	α-helix	trans	-69.9	-41.4	179.3	0	0	0	0	0	112.3	V483 E484 I487 A520 T521 C522 V526 R527 A528	V483-A524 HydrophobicContact CG1-CB 4.08Å; E484-A524 HydrophobicContact CB-CB 4.36Å; I487-A524 HydrophobicContact CD1-CB 3.71Å; A520-A524 PolarHBondContact O-N 3.3Å; T521-A524 PolarHBondContact O-N 2.93Å; C522-A524 VanDerWaalsContact C-N 3.34Å; C522-A524 PolarHBondContact O-N 3.4Å; A524-V526 VanDerWaalsContact C-N 3.33Å; A524-V526 PolarHBondContact O-N 3.33Å; A524-R527 PolarHBondContact O-N 3.36Å; A524-A528 WeakPolarHBondContact O-CB 3.4Å; A524-A528 PolarHBondContact O-N 3.4Å; A524-A528 VanDerWaalsContact O-N 3.1Å
525	A	82.6	Confident	78.1	Confident	2 Å²	2	43 Å²	43	2%	0.017	26%	0.261	C	S	.	.	H	α-helix	trans	-59.2	-46.3	175.1	0	0	0	0	0	111.2	I468 I487 T521 C522 A528 V529	I468-A525 HydrophobicContact CD1-CB 4.26Å; I487-A525 HydrophobicContact CD1-CB 4.01Å; T521-A525 WeakPolarHBondContact O-CB 3.42Å; T521-A525 PolarHBondContact O-N 3.05Å; C522-A525 PolarHBondContact O-N 2.64Å; A525-A528 PolarHBondContact O-N 3.18Å; A525-V529 WeakPolarHBondContact O-CB 3.48Å; A525-V529 WeakPolarHBondContact O-CG2 3.26Å; A525-V529 PolarHBondContact O-N 3.46Å
526	V	82.3	Confident	77.1	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.024	26%	0.26	C	S	.	.	H	α-helix	trans	-64.8	-47.3	-179.8	167.2	0	0	0	0	111.1	A510 C522 A524 A528 V529 I530 C558 A561 I562	A510-V526 HydrophobicContact CB-CG2 3.5Å; C522-V526 WeakPolarHBondContact O-CB 2.99Å; C522-V526 WeakPolarHBondContact O-CG2 3.26Å; C522-V526 PolarHBondContact O-N 3.05Å; A524-V526 VanDerWaalsContact C-N 3.33Å; A524-V526 PolarHBondContact O-N 3.33Å; V526-A528 VanDerWaalsContact C-N 3.29Å; V526-A528 PolarHBondContact O-N 2.81Å; V526-V529 PolarHBondContact O-N 3.47Å; V526-I530 HydrophobicContact CG1-CD1 3.32Å; V526-I530 HydrophobicContact CG1-CG1 3.93Å; V526-I530 WeakPolarHBondContact O-CB 3.37Å; V526-I530 WeakPolarHBondContact O-CD1 3.38Å; V526-I530 WeakPolarHBondContact O-CG1 3.42Å; V526-I530 PolarHBondContact O-N 3.48Å; V526-C558 HydrophobicContact CG2-CB 4.47Å; V526-A561 HydrophobicContact CB-CB 4.35Å; V526-A561 HydrophobicContact CG1-CB 3.97Å; V526-I562 HydrophobicContact CG1-CB 4.48Å; V526-I562 HydrophobicContact CG1-CD1 4.49Å; V526-I562 HydrophobicContact CG1-CG1 3.49Å; V526-I562 VanDerWaalsContact CG1-CG1 3.49Å
527	R	80.4	Confident	76.5	Confident	91 Å²	91	46.7 Å²	46.7	34%	0.343	28%	0.276	S	S	.	.	H	α-helix	trans	-56.7	-42.9	176.1	-76.6	174.8	-169.9	167	8.7	112.6	Q523 A524 Y565	Q523-R527 WeakPolarHBondContact O-CB 3.43Å; Q523-R527 VanDerWaalsContact O-CG 3.26Å; Q523-R527 WeakPolarHBondContact O-CG 3.18Å; Q523-R527 PolarHBondContact O-N 3.21Å; A524-R527 PolarHBondContact O-N 3.36Å; R527-Y565 HydrophobicContact CG-CD2 4.26Å
528	A	76.4	Confident	76.3	Confident	24 Å²	24	48.6 Å²	48.6	20%	0.198	27%	0.272	C	S	.	.	H	α-helix	trans	-72.7	-30.1	-177	0	0	0	0	0	112.8	I487 I491 A524 A525 V526 I532	I487-A528 HydrophobicContact CG2-CB 4.02Å; I491-A528 HydrophobicContact CD1-CB 3.35Å; A524-A528 WeakPolarHBondContact O-CB 3.4Å; A524-A528 PolarHBondContact O-N 3.4Å; A524-A528 VanDerWaalsContact O-N 3.1Å; A525-A528 PolarHBondContact O-N 3.18Å; V526-A528 VanDerWaalsContact C-N 3.29Å; V526-A528 PolarHBondContact O-N 2.81Å; A528-I532 WeakPolarHBondContact O-CD1 3.33Å; A528-I532 WeakPolarHBondContact O-CG1 3.49Å
529	V	76.7	Confident	76.1	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.018	28%	0.277	C	S	.	.	H	α-helix	trans	-93.8	-34.4	-173.2	172.8	0	0	0	0	113.4	I491 I501 R503 W506 A525 V526 G531 I532	I491-V529 HydrophobicContact CD1-CG2 4.48Å; I501-V529 HydrophobicContact CG2-CG2 4.38Å; R503-V529 HydrophobicContact CB-CG1 4.49Å; R503-V529 HydrophobicContact CG-CG1 4Å; W506-V529 HydrophobicContact CB-CB 4.23Å; W506-V529 HydrophobicContact CB-CG1 3.73Å; W506-V529 HydrophobicContact CB-CG2 3.76Å; W506-V529 HydrophobicContact CD2-CG2 3.66Å; W506-V529 HydrophobicContact CE3-CG2 3.6Å; W506-V529 HydrophobicContact CG-CG1 4.31Å; W506-V529 HydrophobicContact CG-CG2 3.76Å; W506-V529 HydrophobicContact CZ3-CG2 4.38Å; A525-V529 WeakPolarHBondContact O-CB 3.48Å; A525-V529 WeakPolarHBondContact O-CG2 3.26Å; A525-V529 PolarHBondContact O-N 3.46Å; V526-V529 PolarHBondContact O-N 3.47Å; V529-G531 PolarHBondContact O-N 3.02Å; V529-G531 VanDerWaalsContact O-N 3.16Å; V529-I532 PolarHBondContact O-N 2.96Å; V529-I532 VanDerWaalsContact O-N 3.1Å
530	I	73.9	Confident	75.9	Confident	2 Å²	2	51 Å²	51	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-56.1	-36.1	-177.6	-74.6	168.5	0	0	0	112.4	V526 W543 I562 Y565	V526-I530 HydrophobicContact CG1-CD1 3.32Å; V526-I530 HydrophobicContact CG1-CG1 3.93Å; V526-I530 WeakPolarHBondContact O-CB 3.37Å; V526-I530 WeakPolarHBondContact O-CD1 3.38Å; V526-I530 WeakPolarHBondContact O-CG1 3.42Å; V526-I530 PolarHBondContact O-N 3.48Å; I530-W543 HydrophobicContact CG2-CD2 3.56Å; I530-W543 HydrophobicContact CG2-CE3 4.4Å; I530-W543 HydrophobicContact CG2-CG 3.62Å; I530-W543 HydrophobicContact CG2-CZ2 3.74Å; I530-W543 PolarHBondContact O-NE1 2.94Å; I530-I562 HydrophobicContact CD1-CB 3.98Å; I530-I562 HydrophobicContact CD1-CG1 3.68Å; I530-I562 HydrophobicContact CD1-CG2 4.01Å; I530-I562 HydrophobicContact CG1-CG1 4.41Å; I530-Y565 HydrophobicContact CB-CD1 4.17Å; I530-Y565 HydrophobicContact CB-CE1 4.19Å; I530-Y565 HydrophobicContact CD1-CD1 4.14Å; I530-Y565 HydrophobicContact CG2-CD1 3.71Å; I530-Y565 HydrophobicContact CG2-CE1 3.75Å
531	G	69.7	Low	75.9	Confident	24 Å²	24	55.6 Å²	55.6	25%	0.247	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-12.1	-177.3	0	0	0	0	0	115	V529	V529-G531 PolarHBondContact O-N 3.02Å; V529-G531 VanDerWaalsContact O-N 3.16Å
532	I	75.1	Confident	76.1	Confident	52 Å²	52	56.9 Å²	56.9	27%	0.267	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	127	-172.5	-59.2	175.1	0	0	0	109.7	I491 I501 A528 V529	I491-I532 HydrophobicContact CG2-CD1 4.21Å; I501-I532 HydrophobicContact CD1-CD1 3.96Å; A528-I532 WeakPolarHBondContact O-CD1 3.33Å; A528-I532 WeakPolarHBondContact O-CG1 3.49Å; V529-I532 PolarHBondContact O-N 2.96Å; V529-I532 VanDerWaalsContact O-N 3.1Å
533	G	64.1	Low	76.3	Confident	83 Å²	83	57 Å²	57	86%	0.856	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.7	12.2	170.3	0	0	0	0	0	116.3
534	I	69.3	Low	76.5	Confident	23 Å²	23	54.6 Å²	54.6	12%	0.118	29%	0.29	C	S	.	.			trans	-123.7	131.1	179.9	-47.9	166.8	0	0	0	111.4	D538 R539 T542	I534-D538 HydrophobicContact CG2-CB 4.22Å; I534-R539 HydrophobicContact CB-CG 3.84Å; I534-R539 HydrophobicContact CG2-CB 4.31Å; I534-R539 HydrophobicContact CG2-CG 3.72Å; I534-R539 PolarHBondContact O-NE 2.93Å; I534-R539 PolarHBondContact O-NH2 2.99Å; I534-T542 HydrophobicContact CD1-CG2 3.73Å
535	E	67.6	Low	76.7	Confident	146 Å²	146	59.6 Å²	59.6	68%	0.682	31%	0.311	S	S	*	.			trans	-62.5	145.5	170.9	-65.2	-173.9	177.6	0	0	111.5	E537 D538 R539	E535-E537 PolarHBondContact O-N 2.75Å; E535-D538 PolarHBondContact O-N 3.36Å; E535-R539 WeakPolarHBondContact O-CG 3.49Å; E535-R539 PolarHBondContact O-N 3.16Å; E535-R539 VanDerWaalsContact O-N 3.15Å
536	E	64.4	Low	76.7	Confident	139 Å²	139	60.3 Å²	60.3	65%	0.65	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-25.2	-168.6	-47.9	-145.5	126.6	0	0	113.9	R539	E536-R539 IonicContact OE1-CZ 3.86Å; E536-R539 IonicContact OE1-NH1 3.93Å; E536-R539 PolarHBondContact OE1-NH1 3.47Å; E536-R539 IonicContact OE1-NH2 3.5Å; E536-R539 PolarHBondContact OE1-NH2 3.03Å
537	E	68.6	Low	76.8	Confident	173 Å²	173	60.1 Å²	60.1	81%	0.808	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-40.2	179.9	-59.7	-166.9	168.5	0	0	112.5	E535	E535-E537 PolarHBondContact O-N 2.75Å
538	D	78.1	Confident	77	Confident	95 Å²	95	59 Å²	59	51%	0.508	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-17.4	-176.3	-76.2	-20.5	0	0	0	114	I534 E535 K540 H541 T542	I534-D538 HydrophobicContact CG2-CB 4.22Å; E535-D538 PolarHBondContact O-N 3.36Å; D538-K540 PolarHBondContact O-N 2.91Å; D538-H541 PolarHBondContact O-N 3.28Å; D538-T542 PolarHBondContact O-N 3.43Å; D538-T542 VanDerWaalsContact O-N 3.11Å; D538-T542 PolarHBondContact O-OG1 3.47Å
539	R	78.1	Confident	77.5	Confident	57 Å²	57	60.3 Å²	60.3	22%	0.215	32%	0.322	C	S	.	.	H	α-helix	trans	-42.9	-44	177.1	-83.3	175.8	-163.6	166.4	4.8	113	I534 E535 E536 W543 F570	I534-R539 HydrophobicContact CB-CG 3.84Å; I534-R539 HydrophobicContact CG2-CB 4.31Å; I534-R539 HydrophobicContact CG2-CG 3.72Å; I534-R539 PolarHBondContact O-NE 2.93Å; I534-R539 PolarHBondContact O-NH2 2.99Å; E535-R539 WeakPolarHBondContact O-CG 3.49Å; E535-R539 PolarHBondContact O-N 3.16Å; E535-R539 VanDerWaalsContact O-N 3.15Å; E536-R539 IonicContact OE1-CZ 3.86Å; E536-R539 IonicContact OE1-NH1 3.93Å; E536-R539 PolarHBondContact OE1-NH1 3.47Å; E536-R539 IonicContact OE1-NH2 3.5Å; E536-R539 PolarHBondContact OE1-NH2 3.03Å; R539-W543 HydrophobicContact CB-CD2 4.27Å; R539-W543 HydrophobicContact CB-CH2 4.06Å; R539-W543 HydrophobicContact CB-CZ2 3.71Å; R539-W543 HydrophobicContact CB-CZ3 4.45Å; R539-W543 HydrophobicContact CG-CH2 4.21Å; R539-W543 HydrophobicContact CG-CZ2 3.58Å; R539-W543 WeakPolarHBondContact O-CB 3.34Å; R539-W543 VanDerWaalsContact O-CD1 3.22Å; R539-W543 PolarHBondContact O-N 3.47Å; R539-F570 HydrophobicContact CB-CE2 4.27Å; R539-F570 HydrophobicContact CB-CZ 4.17Å
540	K	79.4	Confident	77.7	Confident	62 Å²	62	60.2 Å²	60.2	27%	0.27	32%	0.322	S	S	.	.	H	α-helix	trans	-64.6	-48.3	179.9	-175.1	-155.8	171.6	-162.3	0	111.9	D538 M544 F570 K573 V576	D538-K540 PolarHBondContact O-N 2.91Å; K540-M544 WeakPolarHBondContact O-CG 3.38Å; K540-M544 PolarHBondContact O-N 2.86Å; K540-F570 HydrophobicContact CB-CE2 4.24Å; K540-K573 HydrophobicContact CD-CD 3.78Å; K540-V576 HydrophobicContact CD-CG2 4.49Å; K540-V576 HydrophobicContact CG-CG2 4.1Å
541	H	82.9	Confident	78.3	Confident	119 Å²	119	61.5 Å²	61.5	55%	0.551	33%	0.329	S	S	*	.	H	α-helix	trans	-65.7	-48.5	-175.7	-176.1	-83.7	0	0	0	110.2	D538 W543 M544 E545	D538-H541 PolarHBondContact O-N 3.28Å; H541-W543 PolarHBondContact O-N 2.88Å; H541-M544 PolarHBondContact O-N 3.3Å; H541-E545 IonicContact CE1-OE2 3.47Å; H541-E545 PolarHBondContact CE1-OE2 3.44Å; H541-E545 IonicContact ND1-OE2 3.24Å; H541-E545 PolarHBondContact O-N 3.26Å
542	T	84.4	Confident	78.9	Confident	30 Å²	30	64 Å²	64	18%	0.184	35%	0.348	C	S	.	.	H	α-helix	trans	-57.6	-53.1	-178.8	-48.5	0	0	0	0	111.3	I534 D538 M544 E545 D546	I534-T542 HydrophobicContact CD1-CG2 3.73Å; D538-T542 PolarHBondContact O-N 3.43Å; D538-T542 VanDerWaalsContact O-N 3.11Å; D538-T542 PolarHBondContact O-OG1 3.47Å; T542-M544 PolarHBondContact O-N 3.47Å; T542-M544 VanDerWaalsContact O-N 3.15Å; T542-E545 WeakPolarHBondContact O-CB 3.5Å; T542-E545 PolarHBondContact O-N 2.97Å; T542-D546 VanDerWaalsContact C-OD2 3.26Å; T542-D546 PolarHBondContact O-N 3.19Å
543	W	85.9	Confident	79.3	Confident	3 Å²	3	66.3 Å²	66.3	1%	0.011	36%	0.358	C	S	.	.	H	α-helix	trans	-62.1	-30.6	-177.7	-57.6	-12.6	0	0	0	113.5	I530 R539 H541 A547 I562 Y565 A566 V569 F570	I530-W543 HydrophobicContact CG2-CD2 3.56Å; I530-W543 HydrophobicContact CG2-CE3 4.4Å; I530-W543 HydrophobicContact CG2-CG 3.62Å; I530-W543 HydrophobicContact CG2-CZ2 3.74Å; I530-W543 PolarHBondContact O-NE1 2.94Å; R539-W543 HydrophobicContact CB-CD2 4.27Å; R539-W543 HydrophobicContact CB-CH2 4.06Å; R539-W543 HydrophobicContact CB-CZ2 3.71Å; R539-W543 HydrophobicContact CB-CZ3 4.45Å; R539-W543 HydrophobicContact CG-CH2 4.21Å; R539-W543 HydrophobicContact CG-CZ2 3.58Å; R539-W543 WeakPolarHBondContact O-CB 3.34Å; R539-W543 VanDerWaalsContact O-CD1 3.22Å; R539-W543 PolarHBondContact O-N 3.47Å; H541-W543 PolarHBondContact O-N 2.88Å; W543-A547 WeakPolarHBondContact O-CB 3.45Å; W543-A547 PolarHBondContact O-N 3.41Å; W543-I562 HydrophobicContact CB-CG2 4.34Å; W543-I562 WeakPolarHBondContact O-CG2 3.3Å; W543-Y565 HydrophobicContact CH2-CD1 4.32Å; W543-Y565 AromaticContact CH2-CE1 3.74Å; W543-Y565 HydrophobicContact CH2-CE1 3.74Å; W543-Y565 AromaticContact CZ2-CE1 3.97Å; W543-Y565 HydrophobicContact CZ2-CE1 3.97Å; W543-Y565 HydrophobicContact CZ3-CD1 4.37Å; W543-Y565 HydrophobicContact CZ3-CE1 4.23Å; W543-A566 HydrophobicContact CE3-CB 3.79Å; W543-A566 HydrophobicContact CZ3-CB 4.41Å; W543-V569 HydrophobicContact CH2-CB 4.23Å; W543-V569 HydrophobicContact CH2-CG1 4.02Å; W543-V569 HydrophobicContact CH2-CG2 4.09Å; W543-V569 HydrophobicContact CZ3-CB 3.94Å; W543-V569 HydrophobicContact CZ3-CG1 4.02Å; W543-V569 HydrophobicContact CZ3-CG2 4.12Å; W543-F570 HydrophobicContact CE3-CD2 4.29Å; W543-F570 AromaticContact CE3-CE2 3.86Å; W543-F570 HydrophobicContact CE3-CE2 3.86Å; W543-F570 HydrophobicContact CH2-CE2 4.1Å; W543-F570 AromaticContact CZ3-CD2 3.9Å; W543-F570 HydrophobicContact CZ3-CD2 3.9Å; W543-F570 AromaticContact CZ3-CE2 3.39Å; W543-F570 HydrophobicContact CZ3-CE2 3.39Å; W543-F570 HydrophobicContact CZ3-CZ 4.34Å
544	M	85.1	Confident	79.8	Confident	6 Å²	6	68.4 Å²	68.4	3%	0.03	35%	0.349	C	S	.	.	H	α-helix	trans	-74.2	-39	176.5	-60	-59.9	-58	0	0	111.3	K540 H541 T542 D546 A547 D548 Y563 V576 R579	K540-M544 WeakPolarHBondContact O-CG 3.38Å; K540-M544 PolarHBondContact O-N 2.86Å; H541-M544 PolarHBondContact O-N 3.3Å; T542-M544 PolarHBondContact O-N 3.47Å; T542-M544 VanDerWaalsContact O-N 3.15Å; M544-D546 VanDerWaalsContact C-N 3.33Å; M544-A547 PolarHBondContact O-N 3.14Å; M544-D548 WeakPolarHBondContact O-CB 3.46Å; M544-D548 PolarHBondContact O-N 2.91Å; M544-Y563 HydrophobicContact CE-CD1 4.38Å; M544-Y563 HydrophobicContact CE-CE1 3.58Å; M544-Y563 HydrophobicContact SD-CD1 4.49Å; M544-Y563 HydrophobicContact SD-CE1 4.09Å; M544-V576 HydrophobicContact CE-CG1 4.48Å; M544-V576 HydrophobicContact SD-CB 4.19Å; M544-V576 HydrophobicContact SD-CG1 3.78Å; M544-V576 HydrophobicContact SD-CG2 3.98Å; M544-R579 HydrophobicContact CE-CB 3.36Å; M544-R579 VanDerWaalsContact CE-CD 3.41Å; M544-R579 HydrophobicContact CE-CG 3.71Å
545	E	85.7	Confident	80.4	Confident	113 Å²	113	67.3 Å²	67.3	53%	0.528	34%	0.344	S	S	.	.	H	α-helix	trans	-64.6	-39	174.5	-174.2	169.7	-171.4	0	0	111.5	H541 T542 D548 S549	H541-E545 IonicContact CE1-OE2 3.47Å; H541-E545 PolarHBondContact CE1-OE2 3.44Å; H541-E545 IonicContact ND1-OE2 3.24Å; H541-E545 PolarHBondContact O-N 3.26Å; T542-E545 WeakPolarHBondContact O-CB 3.5Å; T542-E545 PolarHBondContact O-N 2.97Å; E545-D548 PolarHBondContact O-N 3.49Å; E545-S549 VanDerWaalsContact O-CB 3.32Å; E545-S549 WeakPolarHBondContact O-CB 3.44Å; E545-S549 PolarHBondContact O-N 3.29Å
546	D	83.3	Confident	81.1	Confident	18 Å²	18	62.7 Å²	62.7	10%	0.096	32%	0.323	C	S	.	.	H	α-helix	trans	-69.4	-41.4	176	-57.1	-48.9	0	0	0	112.9	R503 I507 T542 M544 D548 S549 C550 I562	R503-D546 IonicContact CZ-OD1 2.82Å; R503-D546 IonicContact CZ-OD2 3.74Å; R503-D546 IonicContact NH1-OD1 3.26Å; R503-D546 PolarHBondContact NH1-OD1 3.39Å; R503-D546 IonicContact NH1-OD2 2.83Å; R503-D546 PolarHBondContact NH1-OD2 3.43Å; R503-D546 IonicContact NH2-OD1 2.87Å; R503-D546 PolarHBondContact NH2-OD1 2.87Å; R503-D546 IonicContact NH2-OD2 3.75Å; R503-D546 PolarHBondContact NH2-OD2 2.89Å; R503-D546 VanDerWaalsContact NH2-OD2 3.14Å; I507-D546 HydrophobicContact CD1-CB 4.42Å; T542-D546 VanDerWaalsContact C-OD2 3.26Å; T542-D546 PolarHBondContact O-N 3.19Å; M544-D546 VanDerWaalsContact C-N 3.33Å; D546-D548 VanDerWaalsContact C-N 3.28Å; D546-D548 PolarHBondContact O-N 2.8Å; D546-S549 PolarHBondContact O-N 3.38Å; D546-C550 WeakPolarHBondContact O-CB 3.36Å; D546-C550 PolarHBondContact O-N 2.65Å; D546-C550 PolarHBondContact O-SG 3.27Å; D546-I562 HydrophobicContact CB-CD1 4.46Å
547	A	83.5	Confident	81.8	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-59.4	-45.8	173.1	0	0	0	0	0	109.7	W543 M544 S549 C550 V551 I562 Y563	W543-A547 WeakPolarHBondContact O-CB 3.45Å; W543-A547 PolarHBondContact O-N 3.41Å; M544-A547 PolarHBondContact O-N 3.14Å; A547-S549 VanDerWaalsContact C-N 3.32Å; A547-S549 PolarHBondContact O-N 3.27Å; A547-C550 PolarHBondContact O-N 3.19Å; A547-V551 WeakPolarHBondContact O-CB 3.44Å; A547-V551 WeakPolarHBondContact O-CG2 3.31Å; A547-V551 PolarHBondContact O-N 3.04Å; A547-I562 HydrophobicContact CB-CB 4.29Å; A547-I562 HydrophobicContact CB-CD1 4.43Å; A547-I562 HydrophobicContact CB-CG2 3.86Å; A547-Y563 HydrophobicContact CB-CD1 4.32Å; A547-Y563 HydrophobicContact CB-CD2 4.44Å; A547-Y563 HydrophobicContact CB-CE1 3.7Å; A547-Y563 HydrophobicContact CB-CE2 3.85Å; A547-Y563 VanDerWaalsContact CB-CZ 3.44Å
548	D	84.9	Confident	82.4	Confident	67 Å²	67	50.6 Å²	50.6	36%	0.358	27%	0.267	S	S	.	.	H	α-helix	trans	-64.2	-36.3	177.8	-68.6	-27.5	0	0	0	111.8	M544 E545 D546 A552 Y563 R579	M544-D548 WeakPolarHBondContact O-CB 3.46Å; M544-D548 PolarHBondContact O-N 2.91Å; E545-D548 PolarHBondContact O-N 3.49Å; D546-D548 VanDerWaalsContact C-N 3.28Å; D546-D548 PolarHBondContact O-N 2.8Å; D548-A552 PolarHBondContact O-N 3.14Å; D548-Y563 PolarHBondContact OD1-OH 3.37Å; D548-R579 IonicContact OD2-CZ 3.93Å; D548-R579 IonicContact OD2-NH1 3.36Å; D548-R579 PolarHBondContact OD2-NH1 3.48Å
549	S	85.9	Confident	82.6	Confident	52 Å²	52	46 Å²	46	36%	0.364	24%	0.243	S	C	.	.	H	α-helix	trans	-66.4	-48.9	174.5	-171.8	0	0	0	0	112.3	E545 D546 A547 V551 A552 H553	E545-S549 VanDerWaalsContact O-CB 3.32Å; E545-S549 WeakPolarHBondContact O-CB 3.44Å; E545-S549 PolarHBondContact O-N 3.29Å; D546-S549 PolarHBondContact O-N 3.38Å; A547-S549 VanDerWaalsContact C-N 3.32Å; A547-S549 PolarHBondContact O-N 3.27Å; S549-V551 VanDerWaalsContact C-N 3.28Å; S549-V551 PolarHBondContact O-N 3.5Å; S549-A552 CarbonylContact O-C 3.44Å; S549-A552 WeakPolarHBondContact O-CA 3.09Å; S549-A552 WeakPolarHBondContact O-CB 3.48Å; S549-A552 PolarHBondContact O-N 3.17Å; S549-H553 PolarHBondContact O-N 3.19Å; S549-H553 PolarHBondContact O-ND1 3.48Å; S549-H553 VanDerWaalsContact O-ND1 3.15Å; S549-H553 PolarHBondContact OG-CE1 3.24Å; S549-H553 VanDerWaalsContact OG-CE1 3.31Å
550	C	82.7	Confident	83	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.007	24%	0.241	C	C	.	.	H	α-helix	trans	-61.3	-36.9	176	-70	0	0	0	0	112.1	I507 E511 D546 A547 A552 H553 N554 A555 A559 I562	I507-C550 WeakPolarHBondContact CG2-SG 3.44Å; E511-C550 WeakPolarHBondContact OE1-CA 3.43Å; E511-C550 PolarHBondContact OE1-SG 3.44Å; D546-C550 WeakPolarHBondContact O-CB 3.36Å; D546-C550 PolarHBondContact O-N 2.65Å; D546-C550 PolarHBondContact O-SG 3.27Å; A547-C550 PolarHBondContact O-N 3.19Å; C550-A552 VanDerWaalsContact C-N 3.34Å; C550-H553 CarbonylContact O-C 3.21Å; C550-H553 PolarHBondContact O-N 2.7Å; C550-N554 PolarHBondContact O-N 2.92Å; C550-A555 HydrophobicContact CB-CB 4.48Å; C550-A555 PolarHBondContact O-N 3Å; C550-A559 HydrophobicContact CB-CB 4.45Å; C550-I562 HydrophobicContact CB-CD1 4.36Å
551	V	84.6	Confident	83.1	Confident	28 Å²	28	42.7 Å²	42.7	17%	0.17	23%	0.229	C	C	.	.	H	α-helix	trans	-63.1	-42.2	172.8	173.3	0	0	0	0	110.7	A547 S549 H553 N554 A559 F583	A547-V551 WeakPolarHBondContact O-CB 3.44Å; A547-V551 WeakPolarHBondContact O-CG2 3.31Å; A547-V551 PolarHBondContact O-N 3.04Å; S549-V551 VanDerWaalsContact C-N 3.28Å; S549-V551 PolarHBondContact O-N 3.5Å; V551-H553 VanDerWaalsContact C-N 3.3Å; V551-H553 PolarHBondContact O-N 2.94Å; V551-N554 PolarHBondContact O-N 3.34Å; V551-N554 VanDerWaalsContact O-N 3.12Å; V551-A559 HydrophobicContact CG2-CB 3.55Å; V551-F583 HydrophobicContact CG1-CD2 4.3Å; V551-F583 HydrophobicContact CG1-CE2 4.5Å; V551-F583 HydrophobicContact CG2-CD2 3.36Å; V551-F583 HydrophobicContact CG2-CE2 3.45Å; V551-F583 VanDerWaalsContact CG2-CE2 3.45Å; V551-F583 HydrophobicContact CG2-CG 4.46Å
552	A	84.1	Confident	83.1	Confident	77 Å²	77	37.1 Å²	37.1	64%	0.636	20%	0.203	S	C	*	.	H	α-helix	trans	-64.3	-33.4	175.7	0	0	0	0	0	112.7	D548 S549 C550 N554	D548-A552 PolarHBondContact O-N 3.14Å; S549-A552 CarbonylContact O-C 3.44Å; S549-A552 WeakPolarHBondContact O-CA 3.09Å; S549-A552 WeakPolarHBondContact O-CB 3.48Å; S549-A552 PolarHBondContact O-N 3.17Å; C550-A552 VanDerWaalsContact C-N 3.34Å; A552-N554 VanDerWaalsContact C-N 3.25Å; A552-N554 PolarHBondContact O-N 3.03Å
553	H	82.3	Confident	83.2	Confident	101 Å²	101	36.1 Å²	36.1	47%	0.468	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	4.2	174.1	-58.7	133.2	0	0	0	114.4	E511 S549 C550 V551 A555	E511-H553 IonicContact OE1-CG 2.84Å; E511-H553 IonicContact OE1-ND1 3.54Å; E511-H553 PolarHBondContact OE1-ND1 2.83Å; E511-H553 IonicContact OE2-CG 3.25Å; E511-H553 IonicContact OE2-ND1 2.77Å; S549-H553 PolarHBondContact O-N 3.19Å; S549-H553 PolarHBondContact O-ND1 3.48Å; S549-H553 VanDerWaalsContact O-ND1 3.15Å; S549-H553 PolarHBondContact OG-CE1 3.24Å; S549-H553 VanDerWaalsContact OG-CE1 3.31Å; C550-H553 CarbonylContact O-C 3.21Å; C550-H553 PolarHBondContact O-N 2.7Å; V551-H553 VanDerWaalsContact C-N 3.3Å; V551-H553 PolarHBondContact O-N 2.94Å; H553-A555 VanDerWaalsContact C-N 3.34Å; H553-A555 PolarHBondContact O-N 3.11Å
554	N	76	Confident	83.1	Confident	126 Å²	126	37.8 Å²	37.8	67%	0.674	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.6	20.8	-178.3	-55.9	-55.9	0	0	0	115.8	C550 V551 A552 L556	C550-N554 PolarHBondContact O-N 2.92Å; V551-N554 PolarHBondContact O-N 3.34Å; V551-N554 VanDerWaalsContact O-N 3.12Å; A552-N554 VanDerWaalsContact C-N 3.25Å; A552-N554 PolarHBondContact O-N 3.03Å; N554-L556 PolarHBondContact O-N 3.1Å
555	A	80.3	Confident	83	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.008	22%	0.22	C	C	.	.			trans	-91.3	81.6	172.5	0	0	0	0	0	110.6	E511 D514 C550 H553 C558 A559	E511-A555 HydrophobicContact CB-CB 3.94Å; E511-A555 HydrophobicContact CG-CB 3.64Å; D514-A555 HydrophobicContact CB-CB 4.31Å; D514-A555 WeakPolarHBondContact OD2-CA 3.28Å; C550-A555 HydrophobicContact CB-CB 4.48Å; C550-A555 PolarHBondContact O-N 3Å; H553-A555 VanDerWaalsContact C-N 3.34Å; H553-A555 PolarHBondContact O-N 3.11Å; A555-C558 HydrophobicContact CB-CB 4.04Å; A555-A559 PolarHBondContact O-N 3.25Å
556	L	82.8	Confident	83	Confident	49 Å²	49	35 Å²	35	26%	0.257	20%	0.195	S	C	.	.	H	α-helix	trans	-72.9	-38	-170.4	-55.5	177	0	0	0	112.3	D514 N554 A559 R560 F583 H587	D514-L556 PolarHBondContact OD2-N 3.18Å; D514-L556 VanDerWaalsContact OD2-N 3.11Å; N554-L556 PolarHBondContact O-N 3.1Å; L556-A559 PolarHBondContact O-N 3.4Å; L556-R560 WeakPolarHBondContact O-CG 3.38Å; L556-R560 PolarHBondContact O-N 2.77Å; L556-F583 HydrophobicContact CB-CZ 4.31Å; L556-F583 HydrophobicContact CD2-CE2 4.05Å; L556-F583 VanDerWaalsContact O-CZ 3.32Å; L556-F583 WeakPolarHBondContact O-CZ 3.5Å; L556-H587 HydrophobicContact CD1-CB 4.1Å; L556-H587 HydrophobicContact CD2-CB 3.91Å; L556-H587 HydrophobicContact CG-CB 4.49Å
557	E	79.7	Confident	83	Confident	56 Å²	56	34.7 Å²	34.7	26%	0.262	19%	0.194	S	C	.	.	H	α-helix	trans	-76.8	-32.2	-177.8	-56.5	-66.5	169.5	0	0	111.1	D514 V519 R560 A561	D514-E557 WeakPolarHBondContact OD1-CB 3.42Å; D514-E557 WeakPolarHBondContact OD1-CG 3.4Å; D514-E557 PolarHBondContact OD2-N 2.84Å; V519-E557 HydrophobicContact CB-CB 4.32Å; V519-E557 HydrophobicContact CB-CG 4.36Å; V519-E557 HydrophobicContact CG1-CB 4.15Å; V519-E557 HydrophobicContact CG1-CG 3.76Å; E557-R560 WeakPolarHBondContact O-CB 3.37Å; E557-R560 PolarHBondContact O-N 3.49Å; E557-R560 IonicContact OE1-CZ 3.19Å; E557-R560 IonicContact OE1-NH1 3.95Å; E557-R560 PolarHBondContact OE1-NH1 3.41Å; E557-R560 WeakPolarHBondContact OE2-CD 3.23Å; E557-R560 IonicContact OE2-CZ 2.73Å; E557-R560 IonicContact OE2-NH1 2.98Å; E557-R560 PolarHBondContact OE2-NH1 2.92Å; E557-A561 PolarHBondContact O-N 3.19Å
558	C	80.8	Confident	83	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.007	23%	0.225	C	C	.	.	H	α-helix	trans	-60.9	-47.3	169.6	-69.2	0	0	0	0	110.9	A510 D514 C522 V526 A555 R560 A561 I562	A510-C558 VanDerWaalsContact C-SG 3.51Å; A510-C558 PolarHBondContact O-SG 3.14Å; D514-C558 PolarHBondContact OD2-N 2.78Å; C522-C558 VanDerWaalsContact CB-SG 3.58Å; V526-C558 HydrophobicContact CG2-CB 4.47Å; A555-C558 HydrophobicContact CB-CB 4.04Å; C558-R560 VanDerWaalsContact C-N 3.31Å; C558-R560 PolarHBondContact O-N 3.18Å; C558-A561 VanDerWaalsContact O-CB 3.32Å; C558-A561 WeakPolarHBondContact O-CB 3.46Å; C558-A561 PolarHBondContact O-N 3.49Å; C558-A561 VanDerWaalsContact O-N 3.09Å; C558-I562 WeakPolarHBondContact O-CG1 3.37Å; C558-I562 PolarHBondContact O-N 2.77Å
559	A	83.5	Confident	82.9	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.2	-39.6	175.3	0	0	0	0	0	112.2	C550 V551 A555 L556 A561 I562 Y563 F583	C550-A559 HydrophobicContact CB-CB 4.45Å; V551-A559 HydrophobicContact CG2-CB 3.55Å; A555-A559 PolarHBondContact O-N 3.25Å; L556-A559 PolarHBondContact O-N 3.4Å; A559-A561 VanDerWaalsContact C-N 3.33Å; A559-A561 PolarHBondContact O-N 3.4Å; A559-I562 PolarHBondContact O-N 2.73Å; A559-Y563 HydrophobicContact CB-CE2 4.4Å; A559-Y563 WeakPolarHBondContact O-CB 3.19Å; A559-Y563 WeakPolarHBondContact O-CD2 3.46Å; A559-Y563 PolarHBondContact O-N 2.98Å; A559-F583 HydrophobicContact CB-CE2 3.95Å; A559-F583 HydrophobicContact CB-CZ 4Å
560	R	84.4	Confident	82.6	Confident	47 Å²	47	40 Å²	40	18%	0.177	22%	0.215	C	C	.	.	H	α-helix	trans	-59.6	-42.3	172.1	-75.5	-176.8	-169.6	134.3	11.7	112.6	L556 E557 C558 Y563 A564 F583 E584 H587	L556-R560 WeakPolarHBondContact O-CG 3.38Å; L556-R560 PolarHBondContact O-N 2.77Å; E557-R560 WeakPolarHBondContact O-CB 3.37Å; E557-R560 PolarHBondContact O-N 3.49Å; E557-R560 IonicContact OE1-CZ 3.19Å; E557-R560 IonicContact OE1-NH1 3.95Å; E557-R560 PolarHBondContact OE1-NH1 3.41Å; E557-R560 WeakPolarHBondContact OE2-CD 3.23Å; E557-R560 IonicContact OE2-CZ 2.73Å; E557-R560 IonicContact OE2-NH1 2.98Å; E557-R560 PolarHBondContact OE2-NH1 2.92Å; C558-R560 VanDerWaalsContact C-N 3.31Å; C558-R560 PolarHBondContact O-N 3.18Å; R560-Y563 PolarHBondContact O-N 3.19Å; R560-A564 VanDerWaalsContact O-CB 3.29Å; R560-A564 WeakPolarHBondContact O-CB 3.44Å; R560-A564 PolarHBondContact O-N 2.88Å; R560-F583 HydrophobicContact CG-CE1 3.42Å; R560-F583 VanDerWaalsContact CG-CE1 3.42Å; R560-F583 HydrophobicContact CG-CZ 3.93Å; R560-E584 VanDerWaalsContact CD-OE1 3.26Å; R560-E584 WeakPolarHBondContact CD-OE1 3.48Å; R560-E584 VanDerWaalsContact CG-OE1 3.28Å; R560-E584 WeakPolarHBondContact CG-OE1 3.24Å; R560-E584 IonicContact CZ-OE1 2.91Å; R560-E584 IonicContact NE-OE1 2.86Å; R560-E584 PolarHBondContact NE-OE1 2.86Å; R560-E584 IonicContact NE-OE2 3.99Å; R560-H587 PolarHBondContact NH2-O 3.09Å
561	A	82.3	Confident	82.4	Confident	2 Å²	2	42.3 Å²	42.3	2%	0.017	23%	0.229	C	C	.	.	H	α-helix	trans	-63	-45.3	177	0	0	0	0	0	111.6	Q523 V526 E557 C558 A559 A564 Y565	Q523-A561 HydrophobicContact CB-CB 4.09Å; Q523-A561 HydrophobicContact CG-CB 3.7Å; V526-A561 HydrophobicContact CB-CB 4.35Å; V526-A561 HydrophobicContact CG1-CB 3.97Å; E557-A561 PolarHBondContact O-N 3.19Å; C558-A561 VanDerWaalsContact O-CB 3.32Å; C558-A561 WeakPolarHBondContact O-CB 3.46Å; C558-A561 PolarHBondContact O-N 3.49Å; C558-A561 VanDerWaalsContact O-N 3.09Å; A559-A561 VanDerWaalsContact C-N 3.33Å; A559-A561 PolarHBondContact O-N 3.4Å; A561-A564 PolarHBondContact O-N 3.31Å; A561-Y565 WeakPolarHBondContact O-CB 3.34Å; A561-Y565 PolarHBondContact O-N 3.23Å
562	I	83.9	Confident	82	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-58.8	-50.1	175.6	-62.5	163.6	0	0	0	109.6	V526 I530 W543 D546 A547 C550 C558 A559 Y565 A566	V526-I562 HydrophobicContact CG1-CB 4.48Å; V526-I562 HydrophobicContact CG1-CD1 4.49Å; V526-I562 HydrophobicContact CG1-CG1 3.49Å; V526-I562 VanDerWaalsContact CG1-CG1 3.49Å; I530-I562 HydrophobicContact CD1-CB 3.98Å; I530-I562 HydrophobicContact CD1-CG1 3.68Å; I530-I562 HydrophobicContact CD1-CG2 4.01Å; I530-I562 HydrophobicContact CG1-CG1 4.41Å; W543-I562 HydrophobicContact CB-CG2 4.34Å; W543-I562 WeakPolarHBondContact O-CG2 3.3Å; D546-I562 HydrophobicContact CB-CD1 4.46Å; A547-I562 HydrophobicContact CB-CB 4.29Å; A547-I562 HydrophobicContact CB-CD1 4.43Å; A547-I562 HydrophobicContact CB-CG2 3.86Å; C550-I562 HydrophobicContact CB-CD1 4.36Å; C558-I562 WeakPolarHBondContact O-CG1 3.37Å; C558-I562 PolarHBondContact O-N 2.77Å; A559-I562 PolarHBondContact O-N 2.73Å; I562-Y565 PolarHBondContact O-N 2.94Å; I562-A566 VanDerWaalsContact O-CB 3.25Å; I562-A566 WeakPolarHBondContact O-CB 3.25Å; I562-A566 PolarHBondContact O-N 2.95Å
563	Y	85.2	Confident	81.7	Confident	8 Å²	8	45.5 Å²	45.5	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-63	-44.4	179.1	-74.9	-51.9	0	0	0	112.4	M544 A547 D548 A559 R560 Y565 A566 L567 R579 A580 F583	M544-Y563 HydrophobicContact CE-CD1 4.38Å; M544-Y563 HydrophobicContact CE-CE1 3.58Å; M544-Y563 HydrophobicContact SD-CD1 4.49Å; M544-Y563 HydrophobicContact SD-CE1 4.09Å; A547-Y563 HydrophobicContact CB-CD1 4.32Å; A547-Y563 HydrophobicContact CB-CD2 4.44Å; A547-Y563 HydrophobicContact CB-CE1 3.7Å; A547-Y563 HydrophobicContact CB-CE2 3.85Å; A547-Y563 VanDerWaalsContact CB-CZ 3.44Å; D548-Y563 PolarHBondContact OD1-OH 3.37Å; A559-Y563 HydrophobicContact CB-CE2 4.4Å; A559-Y563 WeakPolarHBondContact O-CB 3.19Å; A559-Y563 WeakPolarHBondContact O-CD2 3.46Å; A559-Y563 PolarHBondContact O-N 2.98Å; R560-Y563 PolarHBondContact O-N 3.19Å; Y563-Y565 VanDerWaalsContact C-N 3.33Å; Y563-Y565 PolarHBondContact O-N 3.45Å; Y563-A566 PolarHBondContact O-N 2.89Å; Y563-L567 VanDerWaalsContact O-CB 3.27Å; Y563-L567 WeakPolarHBondContact O-CB 3.48Å; Y563-L567 WeakPolarHBondContact O-CD1 3.3Å; Y563-L567 WeakPolarHBondContact O-CG 3.46Å; Y563-L567 PolarHBondContact O-N 3.49Å; Y563-R579 HydrophobicContact CE1-CB 4.4Å; Y563-A580 HydrophobicContact CD1-CB 3.9Å; Y563-A580 HydrophobicContact CD2-CB 4.46Å; Y563-A580 HydrophobicContact CE1-CB 4.47Å; Y563-A580 HydrophobicContact CG-CB 3.9Å; Y563-F583 HydrophobicContact CD2-CB 4.35Å; Y563-F583 AromaticContact CD2-CD1 3.78Å; Y563-F583 HydrophobicContact CD2-CD1 3.78Å; Y563-F583 HydrophobicContact CD2-CE1 4.39Å; Y563-F583 HydrophobicContact CD2-CG 4.03Å; Y563-F583 HydrophobicContact CE2-CB 3.69Å; Y563-F583 AromaticContact CE2-CD1 3.84Å; Y563-F583 HydrophobicContact CE2-CD1 3.84Å; Y563-F583 HydrophobicContact CE2-CD2 4.15Å; Y563-F583 AromaticContact CE2-CG 3.57Å; Y563-F583 HydrophobicContact CE2-CG 3.57Å
564	A	84.4	Confident	81.7	Confident	39 Å²	39	48.1 Å²	48.1	32%	0.322	25%	0.249	S	C	.	.	H	α-helix	trans	-60.5	-42.8	178.2	0	0	0	0	0	111.9	R560 A561 Q568	R560-A564 VanDerWaalsContact O-CB 3.29Å; R560-A564 WeakPolarHBondContact O-CB 3.44Å; R560-A564 PolarHBondContact O-N 2.88Å; A561-A564 PolarHBondContact O-N 3.31Å; A564-Q568 WeakPolarHBondContact O-CG 3.18Å; A564-Q568 PolarHBondContact O-N 3.08Å; A564-Q568 VanDerWaalsContact O-N 3.16Å
565	Y	83.6	Confident	82.1	Confident	57 Å²	57	44.1 Å²	44.1	22%	0.224	23%	0.23	C	C	.	.	H	α-helix	trans	-67.5	-47.9	176.5	-177.3	-103.6	0	0	0	111.8	R527 I530 W543 A561 I562 Y563 L567 Q568 V569	R527-Y565 HydrophobicContact CG-CD2 4.26Å; I530-Y565 HydrophobicContact CB-CD1 4.17Å; I530-Y565 HydrophobicContact CB-CE1 4.19Å; I530-Y565 HydrophobicContact CD1-CD1 4.14Å; I530-Y565 HydrophobicContact CG2-CD1 3.71Å; I530-Y565 HydrophobicContact CG2-CE1 3.75Å; W543-Y565 HydrophobicContact CH2-CD1 4.32Å; W543-Y565 AromaticContact CH2-CE1 3.74Å; W543-Y565 HydrophobicContact CH2-CE1 3.74Å; W543-Y565 AromaticContact CZ2-CE1 3.97Å; W543-Y565 HydrophobicContact CZ2-CE1 3.97Å; W543-Y565 HydrophobicContact CZ3-CD1 4.37Å; W543-Y565 HydrophobicContact CZ3-CE1 4.23Å; A561-Y565 WeakPolarHBondContact O-CB 3.34Å; A561-Y565 PolarHBondContact O-N 3.23Å; I562-Y565 PolarHBondContact O-N 2.94Å; Y563-Y565 VanDerWaalsContact C-N 3.33Å; Y563-Y565 PolarHBondContact O-N 3.45Å; Y565-L567 PolarHBondContact O-N 3.42Å; Y565-Q568 PolarHBondContact O-N 2.88Å; Y565-Q568 VanDerWaalsContact O-N 3.15Å; Y565-V569 HydrophobicContact CE1-CG2 4.18Å; Y565-V569 HydrophobicContact CE2-CG2 4.43Å; Y565-V569 WeakPolarHBondContact O-CG2 3.23Å; Y565-V569 PolarHBondContact O-N 3.45Å; Y565-V569 VanDerWaalsContact O-N 3.15Å
566	A	84	Confident	82.3	Confident	2 Å²	2	44.1 Å²	44.1	2%	0.017	23%	0.23	C	C	.	.	H	α-helix	trans	-59.2	-35.2	178.2	0	0	0	0	0	112.5	W543 I562 Y563 F570 V576	W543-A566 HydrophobicContact CE3-CB 3.79Å; W543-A566 HydrophobicContact CZ3-CB 4.41Å; I562-A566 VanDerWaalsContact O-CB 3.25Å; I562-A566 WeakPolarHBondContact O-CB 3.25Å; I562-A566 PolarHBondContact O-N 2.95Å; Y563-A566 PolarHBondContact O-N 2.89Å; A566-F570 PolarHBondContact O-N 3.37Å; A566-V576 HydrophobicContact CB-CG1 4.29Å
567	L	83.8	Confident	82.5	Confident	13 Å²	13	42.1 Å²	42.1	7%	0.068	22%	0.219	C	C	.	.	H	α-helix	trans	-74.8	-32.4	178.3	-71.2	169.7	0	0	0	113.4	Y563 Y565 V569 F570 V576 W577 A580 L596	Y563-L567 VanDerWaalsContact O-CB 3.27Å; Y563-L567 WeakPolarHBondContact O-CB 3.48Å; Y563-L567 WeakPolarHBondContact O-CD1 3.3Å; Y563-L567 WeakPolarHBondContact O-CG 3.46Å; Y563-L567 PolarHBondContact O-N 3.49Å; Y565-L567 PolarHBondContact O-N 3.42Å; L567-V569 VanDerWaalsContact C-N 3.34Å; L567-F570 CarbonylContact O-C 3.57Å; L567-V576 HydrophobicContact CD2-CB 4.23Å; L567-V576 HydrophobicContact CD2-CG1 3.61Å; L567-V576 HydrophobicContact CG-CG1 4.09Å; L567-W577 HydrophobicContact CB-CH2 4.49Å; L567-W577 HydrophobicContact CD1-CE3 4.03Å; L567-W577 HydrophobicContact CD1-CH2 4.42Å; L567-W577 HydrophobicContact CD1-CZ3 3.96Å; L567-W577 HydrophobicContact CD2-CB 4.48Å; L567-W577 HydrophobicContact CD2-CD2 3.36Å; L567-W577 HydrophobicContact CD2-CE3 3.65Å; L567-W577 HydrophobicContact CD2-CG 3.74Å; L567-W577 HydrophobicContact CD2-CH2 4.2Å; L567-W577 HydrophobicContact CD2-CZ2 3.95Å; L567-W577 HydrophobicContact CD2-CZ3 4.08Å; L567-W577 HydrophobicContact CG-CE3 4.46Å; L567-A580 HydrophobicContact CD1-CB 4.12Å; L567-L596 HydrophobicContact CD1-CD1 3.58Å
568	Q	83.3	Confident	82.7	Confident	140 Å²	140	41.7 Å²	41.7	65%	0.654	22%	0.219	S	C	*	.	H	α-helix	trans	-65.3	-40.3	171.9	-75.6	175.4	-12.3	0	0	111.3	A564 Y565	A564-Q568 WeakPolarHBondContact O-CG 3.18Å; A564-Q568 PolarHBondContact O-N 3.08Å; A564-Q568 VanDerWaalsContact O-N 3.16Å; Y565-Q568 PolarHBondContact O-N 2.88Å; Y565-Q568 VanDerWaalsContact O-N 3.15Å
569	V	83.6	Confident	82.9	Confident	59 Å²	59	46.3 Å²	46.3	36%	0.358	24%	0.236	S	C	.	.	H	α-helix	trans	-76.4	-38.4	-179.8	179.3	0	0	0	0	112	W543 Y565 L567 P571	W543-V569 HydrophobicContact CH2-CB 4.23Å; W543-V569 HydrophobicContact CH2-CG1 4.02Å; W543-V569 HydrophobicContact CH2-CG2 4.09Å; W543-V569 HydrophobicContact CZ3-CB 3.94Å; W543-V569 HydrophobicContact CZ3-CG1 4.02Å; W543-V569 HydrophobicContact CZ3-CG2 4.12Å; Y565-V569 HydrophobicContact CE1-CG2 4.18Å; Y565-V569 HydrophobicContact CE2-CG2 4.43Å; Y565-V569 WeakPolarHBondContact O-CG2 3.23Å; Y565-V569 PolarHBondContact O-N 3.45Å; Y565-V569 VanDerWaalsContact O-N 3.15Å; L567-V569 VanDerWaalsContact C-N 3.34Å; V569-P571 VanDerWaalsContact C-CD 3.48Å; V569-P571 WeakPolarHBondContact O-CD 3.05Å
570	F	79.8	Confident	82.9	Confident	32 Å²	32	46.4 Å²	46.4	14%	0.14	24%	0.236	C	C	.	.			trans	-122.7	71.7	-178	-56	-64.1	0	0	0	114.2	R539 K540 W543 A566 L567 S572	R539-F570 HydrophobicContact CB-CE2 4.27Å; R539-F570 HydrophobicContact CB-CZ 4.17Å; K540-F570 HydrophobicContact CB-CE2 4.24Å; W543-F570 HydrophobicContact CE3-CD2 4.29Å; W543-F570 AromaticContact CE3-CE2 3.86Å; W543-F570 HydrophobicContact CE3-CE2 3.86Å; W543-F570 HydrophobicContact CH2-CE2 4.1Å; W543-F570 AromaticContact CZ3-CD2 3.9Å; W543-F570 HydrophobicContact CZ3-CD2 3.9Å; W543-F570 AromaticContact CZ3-CE2 3.39Å; W543-F570 HydrophobicContact CZ3-CE2 3.39Å; W543-F570 HydrophobicContact CZ3-CZ 4.34Å; A566-F570 PolarHBondContact O-N 3.37Å; L567-F570 CarbonylContact O-C 3.57Å; F570-S572 VanDerWaalsContact C-N 3.25Å; F570-S572 PolarHBondContact O-N 3.11Å
571	P	79.1	Confident	82.9	Confident	48 Å²	48	44.1 Å²	44.1	31%	0.312	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-22.3	-178.4	-22.1	33.5	0	0	0	114.7	V569 W577 H603 C604	V569-P571 VanDerWaalsContact C-CD 3.48Å; V569-P571 WeakPolarHBondContact O-CD 3.05Å; P571-W577 PolarHBondContact O-NE1 3.49Å; P571-H603 HydrophobicContact CB-CB 4.28Å; P571-C604 PolarHBondContact O-SG 3.34Å
572	S	74.7	Confident	82.9	Confident	96 Å²	96	49.3 Å²	49.3	67%	0.671	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	-11.9	-167.2	61.2	0	0	0	0	115.6	F570	F570-S572 VanDerWaalsContact C-N 3.25Å; F570-S572 PolarHBondContact O-N 3.11Å
573	K	79.3	Confident	83	Confident	76 Å²	76	49.7 Å²	49.7	33%	0.33	25%	0.249	S	C	.	.			trans	-98.2	113	-168.7	-65.8	-179.5	-175.2	168.6	0	112.1	K540 S575 V576	K540-K573 HydrophobicContact CD-CD 3.78Å; K573-S575 VanDerWaalsContact C-N 3.25Å; K573-S575 PolarHBondContact O-N 3.45Å; K573-S575 VanDerWaalsContact O-N 3.1Å; K573-V576 HydrophobicContact CB-CG2 4.36Å; K573-V576 PolarHBondContact O-N 2.82Å
574	K	82	Confident	82.9	Confident	157 Å²	157	50 Å²	50	68%	0.683	25%	0.251	S	S	*	.	H	α-helix	trans	-52.9	-35.1	179.6	75.8	177.9	-176.5	-179.6	0	115.3	V576 L578 A607	K574-V576 VanDerWaalsContact C-N 3.34Å; K574-V576 PolarHBondContact O-N 3.47Å; K574-L578 VanDerWaalsContact O-CB 3.29Å; K574-L578 WeakPolarHBondContact O-CB 3.31Å; K574-L578 PolarHBondContact O-N 2.91Å; K574-A607 HydrophobicContact CB-CB 4.27Å
575	S	84.1	Confident	82.8	Confident	41 Å²	41	52.3 Å²	52.3	29%	0.287	25%	0.254	S	S	.	.	H	α-helix	trans	-67.2	-33.2	-173.6	-178.5	0	0	0	0	113	K573 R579	K573-S575 VanDerWaalsContact C-N 3.25Å; K573-S575 PolarHBondContact O-N 3.45Å; K573-S575 VanDerWaalsContact O-N 3.1Å; S575-R579 WeakPolarHBondContact O-CG 3.38Å; S575-R579 PolarHBondContact O-N 3.45Å
576	V	84.7	Confident	82.6	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-73.9	-49.3	-178.6	-179.3	0	0	0	0	109.1	K540 M544 A566 L567 K573 K574 L578 R579 A580	K540-V576 HydrophobicContact CD-CG2 4.49Å; K540-V576 HydrophobicContact CG-CG2 4.1Å; M544-V576 HydrophobicContact CE-CG1 4.48Å; M544-V576 HydrophobicContact SD-CB 4.19Å; M544-V576 HydrophobicContact SD-CG1 3.78Å; M544-V576 HydrophobicContact SD-CG2 3.98Å; A566-V576 HydrophobicContact CB-CG1 4.29Å; L567-V576 HydrophobicContact CD2-CB 4.23Å; L567-V576 HydrophobicContact CD2-CG1 3.61Å; L567-V576 HydrophobicContact CG-CG1 4.09Å; K573-V576 HydrophobicContact CB-CG2 4.36Å; K573-V576 PolarHBondContact O-N 2.82Å; K574-V576 VanDerWaalsContact C-N 3.34Å; K574-V576 PolarHBondContact O-N 3.47Å; V576-L578 VanDerWaalsContact C-N 3.27Å; V576-L578 PolarHBondContact O-N 3.21Å; V576-R579 PolarHBondContact O-N 3.01Å; V576-A580 WeakPolarHBondContact O-CB 3.3Å; V576-A580 PolarHBondContact O-N 3.11Å
577	W	86	Confident	82.3	Confident	8 Å²	8	58.3 Å²	58.3	3%	0.03	29%	0.287	C	S	.	.	H	α-helix	trans	-55.6	-41.5	173.2	-70.8	104.7	0	0	0	112.8	L567 P571 A581 L596 R599 A600 H603 C604 L610	L567-W577 HydrophobicContact CB-CH2 4.49Å; L567-W577 HydrophobicContact CD1-CE3 4.03Å; L567-W577 HydrophobicContact CD1-CH2 4.42Å; L567-W577 HydrophobicContact CD1-CZ3 3.96Å; L567-W577 HydrophobicContact CD2-CB 4.48Å; L567-W577 HydrophobicContact CD2-CD2 3.36Å; L567-W577 HydrophobicContact CD2-CE3 3.65Å; L567-W577 HydrophobicContact CD2-CG 3.74Å; L567-W577 HydrophobicContact CD2-CH2 4.2Å; L567-W577 HydrophobicContact CD2-CZ2 3.95Å; L567-W577 HydrophobicContact CD2-CZ3 4.08Å; L567-W577 HydrophobicContact CG-CE3 4.46Å; P571-W577 PolarHBondContact O-NE1 3.49Å; W577-A581 VanDerWaalsContact O-CB 3.23Å; W577-A581 WeakPolarHBondContact O-CB 3.47Å; W577-A581 PolarHBondContact O-N 3.07Å; W577-L596 HydrophobicContact CE3-CD1 4.14Å; W577-L596 HydrophobicContact CZ3-CD1 3.79Å; W577-L596 HydrophobicContact CZ3-CG 4.42Å; W577-R599 HydrophobicContact CH2-CB 3.88Å; W577-R599 HydrophobicContact CZ3-CB 4.05Å; W577-A600 HydrophobicContact CD2-CB 3.77Å; W577-A600 HydrophobicContact CE3-CB 3.26Å; W577-A600 HydrophobicContact CG-CB 4.38Å; W577-A600 HydrophobicContact CH2-CB 4.44Å; W577-A600 VanDerWaalsContact CZ3-CA 3.48Å; W577-A600 HydrophobicContact CZ3-CB 3.64Å; W577-H603 HydrophobicContact CZ2-CB 3.99Å; W577-C604 VanDerWaalsContact CD1-SG 3.56Å; W577-L610 HydrophobicContact CB-CD1 3.52Å; W577-L610 HydrophobicContact CB-CD2 4.15Å; W577-L610 HydrophobicContact CB-CG 4.49Å; W577-L610 HydrophobicContact CG-CD1 4.2Å
578	L	85	Confident	81.7	Confident	47 Å²	47	59 Å²	59	25%	0.246	30%	0.297	C	S	.	.	H	α-helix	trans	-67	-44.4	-178.9	-172.5	67.3	0	0	0	112.1	K574 V576 A581 Y582 V609 L610 M613	K574-L578 VanDerWaalsContact O-CB 3.29Å; K574-L578 WeakPolarHBondContact O-CB 3.31Å; K574-L578 PolarHBondContact O-N 2.91Å; V576-L578 VanDerWaalsContact C-N 3.27Å; V576-L578 PolarHBondContact O-N 3.21Å; L578-A581 PolarHBondContact O-N 3.36Å; L578-Y582 HydrophobicContact CD1-CD2 4.15Å; L578-Y582 HydrophobicContact CD1-CE2 3.61Å; L578-Y582 HydrophobicContact CD2-CE2 3.85Å; L578-Y582 HydrophobicContact CG-CD2 3.79Å; L578-Y582 HydrophobicContact CG-CE2 3.43Å; L578-Y582 VanDerWaalsContact CG-CE2 3.43Å; L578-Y582 WeakPolarHBondContact O-CD2 3.41Å; L578-Y582 PolarHBondContact O-N 3.14Å; L578-V609 HydrophobicContact CD1-CB 4.28Å; L578-V609 HydrophobicContact CD1-CG1 3.54Å; L578-L610 HydrophobicContact CD1-CD2 4.23Å; L578-M613 HydrophobicContact CD1-CE 3.96Å
579	R	84.3	Confident	81.1	Confident	98 Å²	98	56.1 Å²	56.1	37%	0.37	29%	0.289	S	S	.	.	H	α-helix	trans	-66.8	-41.7	176.2	-69.8	-155.4	-155.4	171.8	0.1	111.7	M544 D548 Y563 S575 V576 A581 Y582 F583	M544-R579 HydrophobicContact CE-CB 3.36Å; M544-R579 VanDerWaalsContact CE-CD 3.41Å; M544-R579 HydrophobicContact CE-CG 3.71Å; D548-R579 IonicContact OD2-CZ 3.93Å; D548-R579 IonicContact OD2-NH1 3.36Å; D548-R579 PolarHBondContact OD2-NH1 3.48Å; Y563-R579 HydrophobicContact CE1-CB 4.4Å; S575-R579 WeakPolarHBondContact O-CG 3.38Å; S575-R579 PolarHBondContact O-N 3.45Å; V576-R579 PolarHBondContact O-N 3.01Å; R579-A581 VanDerWaalsContact C-N 3.3Å; R579-A581 PolarHBondContact O-N 3.15Å; R579-Y582 PolarHBondContact O-N 3.35Å; R579-F583 WeakPolarHBondContact O-CB 3.34Å; R579-F583 PolarHBondContact O-N 3.29Å
580	A	83.9	Confident	80.4	Confident	1 Å²	1	63 Å²	63	1%	0.008	31%	0.309	C	S	.	.	H	α-helix	trans	-59.8	-41	174.2	0	0	0	0	0	111.8	Y563 L567 V576 F583 E584 L596	Y563-A580 HydrophobicContact CD1-CB 3.9Å; Y563-A580 HydrophobicContact CD2-CB 4.46Å; Y563-A580 HydrophobicContact CE1-CB 4.47Å; Y563-A580 HydrophobicContact CG-CB 3.9Å; L567-A580 HydrophobicContact CD1-CB 4.12Å; V576-A580 WeakPolarHBondContact O-CB 3.3Å; V576-A580 PolarHBondContact O-N 3.11Å; A580-F583 PolarHBondContact O-N 2.89Å; A580-E584 WeakPolarHBondContact O-CB 3.46Å; A580-E584 PolarHBondContact O-N 2.92Å; A580-L596 HydrophobicContact CB-CD2 3.86Å
581	A	83.3	Confident	80.4	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-70.9	-35.3	177.4	0	0	0	0	0	112.9	W577 L578 R579 K585 L593 L596 L597 L610 M613	W577-A581 VanDerWaalsContact O-CB 3.23Å; W577-A581 WeakPolarHBondContact O-CB 3.47Å; W577-A581 PolarHBondContact O-N 3.07Å; L578-A581 PolarHBondContact O-N 3.36Å; R579-A581 VanDerWaalsContact C-N 3.3Å; R579-A581 PolarHBondContact O-N 3.15Å; A581-K585 WeakPolarHBondContact O-CB 3.43Å; A581-K585 PolarHBondContact O-N 3.24Å; A581-L593 HydrophobicContact CB-CD1 4.45Å; A581-L596 HydrophobicContact CB-CD2 4.37Å; A581-L597 HydrophobicContact CB-CD2 4Å; A581-L610 HydrophobicContact CB-CD2 4.17Å; A581-M613 HydrophobicContact CB-CE 4.47Å; A581-M613 HydrophobicContact CB-SD 3.42Å; A581-M613 WeakPolarHBondContact CB-SD 3.17Å
582	Y	83.8	Confident	80.4	Confident	110 Å²	110	68.2 Å²	68.2	43%	0.431	33%	0.333	S	S	.	.	H	α-helix	trans	-66.5	-40.7	170.5	-79.9	-57	0	0	0	112.3	L578 R579 K585 N586 M613	L578-Y582 HydrophobicContact CD1-CD2 4.15Å; L578-Y582 HydrophobicContact CD1-CE2 3.61Å; L578-Y582 HydrophobicContact CD2-CE2 3.85Å; L578-Y582 HydrophobicContact CG-CD2 3.79Å; L578-Y582 HydrophobicContact CG-CE2 3.43Å; L578-Y582 VanDerWaalsContact CG-CE2 3.43Å; L578-Y582 WeakPolarHBondContact O-CD2 3.41Å; L578-Y582 PolarHBondContact O-N 3.14Å; R579-Y582 PolarHBondContact O-N 3.35Å; Y582-K585 WeakPolarHBondContact O-CB 3.3Å; Y582-K585 PolarHBondContact O-N 2.97Å; Y582-N586 VanDerWaalsContact O-CG 3.25Å; Y582-N586 PolarHBondContact O-N 3.21Å; Y582-N586 PolarHBondContact O-OD1 3.37Å; Y582-M613 HydrophobicContact CD1-CE 3.87Å; Y582-M613 HydrophobicContact CE1-CE 3.6Å; Y582-M613 HydrophobicContact CE2-CE 4.32Å; Y582-M613 HydrophobicContact CG-CE 4.32Å
583	F	84.9	Confident	80.6	Confident	10 Å²	10	64.4 Å²	64.4	4%	0.044	31%	0.305	C	S	.	.	H	α-helix	trans	-60.7	-48.9	175.1	164.6	-95.9	0	0	0	111	V551 L556 A559 R560 Y563 R579 A580 K585 N586 H587	V551-F583 HydrophobicContact CG1-CD2 4.3Å; V551-F583 HydrophobicContact CG1-CE2 4.5Å; V551-F583 HydrophobicContact CG2-CD2 3.36Å; V551-F583 HydrophobicContact CG2-CE2 3.45Å; V551-F583 VanDerWaalsContact CG2-CE2 3.45Å; V551-F583 HydrophobicContact CG2-CG 4.46Å; L556-F583 HydrophobicContact CB-CZ 4.31Å; L556-F583 HydrophobicContact CD2-CE2 4.05Å; L556-F583 VanDerWaalsContact O-CZ 3.32Å; L556-F583 WeakPolarHBondContact O-CZ 3.5Å; A559-F583 HydrophobicContact CB-CE2 3.95Å; A559-F583 HydrophobicContact CB-CZ 4Å; R560-F583 HydrophobicContact CG-CE1 3.42Å; R560-F583 VanDerWaalsContact CG-CE1 3.42Å; R560-F583 HydrophobicContact CG-CZ 3.93Å; Y563-F583 HydrophobicContact CD2-CB 4.35Å; Y563-F583 AromaticContact CD2-CD1 3.78Å; Y563-F583 HydrophobicContact CD2-CD1 3.78Å; Y563-F583 HydrophobicContact CD2-CE1 4.39Å; Y563-F583 HydrophobicContact CD2-CG 4.03Å; Y563-F583 HydrophobicContact CE2-CB 3.69Å; Y563-F583 AromaticContact CE2-CD1 3.84Å; Y563-F583 HydrophobicContact CE2-CD1 3.84Å; Y563-F583 HydrophobicContact CE2-CD2 4.15Å; Y563-F583 AromaticContact CE2-CG 3.57Å; Y563-F583 HydrophobicContact CE2-CG 3.57Å; R579-F583 WeakPolarHBondContact O-CB 3.34Å; R579-F583 PolarHBondContact O-N 3.29Å; A580-F583 PolarHBondContact O-N 2.89Å; F583-K585 VanDerWaalsContact C-N 3.31Å; F583-K585 PolarHBondContact O-N 3.37Å; F583-N586 PolarHBondContact O-N 2.71Å; F583-N586 VanDerWaalsContact O-N 3.1Å; F583-H587 AromaticContact CD2-CD2 3.76Å; F583-H587 HydrophobicContact CE2-CB 3.99Å; F583-H587 AromaticContact CE2-CD2 3.76Å; F583-H587 HydrophobicContact CZ-CB 4.21Å; F583-H587 PolarHBondContact O-N 3.02Å
584	E	82.6	Confident	80.6	Confident	14 Å²	14	62.6 Å²	62.6	7%	0.065	30%	0.298	C	S	.	.	H	α-helix	trans	-65.5	-31.4	175.2	-76.6	-63.4	142.1	0	0	112.4	R560 A580 N586 G588 S592 L593 L596	R560-E584 VanDerWaalsContact CD-OE1 3.26Å; R560-E584 WeakPolarHBondContact CD-OE1 3.48Å; R560-E584 VanDerWaalsContact CG-OE1 3.28Å; R560-E584 WeakPolarHBondContact CG-OE1 3.24Å; R560-E584 IonicContact CZ-OE1 2.91Å; R560-E584 IonicContact NE-OE1 2.86Å; R560-E584 PolarHBondContact NE-OE1 2.86Å; R560-E584 IonicContact NE-OE2 3.99Å; A580-E584 WeakPolarHBondContact O-CB 3.46Å; A580-E584 PolarHBondContact O-N 2.92Å; E584-N586 VanDerWaalsContact C-N 3.28Å; E584-N586 PolarHBondContact O-N 3.4Å; E584-G588 WeakPolarHBondContact O-CA 3.32Å; E584-G588 PolarHBondContact O-N 3.45Å; E584-G588 WeakPolarHBondContact OE2-CA 3.36Å; E584-S592 VanDerWaalsContact OE2-CB 3.31Å; E584-S592 WeakPolarHBondContact OE2-CB 3.31Å; E584-S592 PolarHBondContact OE2-OG 3.13Å; E584-L593 HydrophobicContact CB-CB 4.18Å; E584-L593 HydrophobicContact CB-CD1 3.72Å; E584-L596 HydrophobicContact CB-CD2 4.4Å; E584-L596 HydrophobicContact CG-CD2 3.89Å
585	K	82.3	Confident	80.7	Confident	88 Å²	88	56.7 Å²	56.7	38%	0.383	28%	0.278	S	S	.	.	H	α-helix	trans	-63.4	-36.7	172.2	-172.9	-175.4	178.2	-168.8	0	111.8	A581 Y582 F583 E905	A581-K585 WeakPolarHBondContact O-CB 3.43Å; A581-K585 PolarHBondContact O-N 3.24Å; Y582-K585 WeakPolarHBondContact O-CB 3.3Å; Y582-K585 PolarHBondContact O-N 2.97Å; F583-K585 VanDerWaalsContact C-N 3.31Å; F583-K585 PolarHBondContact O-N 3.37Å; K585-E905 IonicContact NZ-OE1 3.51Å; K585-E905 PolarHBondContact NZ-OE1 3.3Å
586	N	81.1	Confident	80.7	Confident	117 Å²	117	55.7 Å²	55.7	63%	0.626	27%	0.27	S	S	*	.	H	α-helix	trans	-83.8	-38.9	-175.9	-68.1	-8.5	0	0	0	113	Y582 F583 E584	Y582-N586 VanDerWaalsContact O-CG 3.25Å; Y582-N586 PolarHBondContact O-N 3.21Å; Y582-N586 PolarHBondContact O-OD1 3.37Å; F583-N586 PolarHBondContact O-N 2.71Å; F583-N586 VanDerWaalsContact O-N 3.1Å; E584-N586 VanDerWaalsContact C-N 3.28Å; E584-N586 PolarHBondContact O-N 3.4Å
587	H	76.8	Confident	80.5	Confident	69 Å²	69	56 Å²	56	32%	0.319	27%	0.271	S	S	.	.	H	α-helix	trans	-126.5	-10	-168.3	-60.5	-72.1	0	0	0	113.9	L556 R560 F583	L556-H587 HydrophobicContact CD1-CB 4.1Å; L556-H587 HydrophobicContact CD2-CB 3.91Å; L556-H587 HydrophobicContact CG-CB 4.49Å; R560-H587 PolarHBondContact NH2-O 3.09Å; F583-H587 AromaticContact CD2-CD2 3.76Å; F583-H587 HydrophobicContact CE2-CB 3.99Å; F583-H587 AromaticContact CE2-CD2 3.76Å; F583-H587 HydrophobicContact CZ-CB 4.21Å; F583-H587 PolarHBondContact O-N 3.02Å
588	G	70.8	Confident	80.3	Confident	26 Å²	26	61.4 Å²	61.4	27%	0.268	30%	0.297	S	S	.	.			trans	-80.7	159.9	-172.5	0	0	0	0	0	114.8	E584	E584-G588 WeakPolarHBondContact O-CA 3.32Å; E584-G588 PolarHBondContact O-N 3.45Å; E584-G588 WeakPolarHBondContact OE2-CA 3.36Å
589	T	71.4	Confident	80.2	Confident	81 Å²	81	66.4 Å²	66.4	50%	0.497	31%	0.312	S	S	.	.			trans	-74	152.4	160	66	0	0	0	0	109.2	E591 S592 L593	T589-E591 PolarHBondContact O-N 2.68Å; T589-S592 PolarHBondContact N-OG 3.39Å; T589-S592 VanDerWaalsContact N-OG 3.08Å; T589-S592 PolarHBondContact O-N 3.24Å; T589-S592 PolarHBondContact O-OG 3.45Å; T589-S592 WeakPolarHBondContact OG1-CB 3.39Å; T589-S592 PolarHBondContact OG1-N 3.05Å; T589-S592 PolarHBondContact OG1-OG 2.93Å; T589-L593 PolarHBondContact O-N 2.94Å; T589-L593 VanDerWaalsContact O-N 3.13Å
590	R	69.4	Low	80.1	Confident	204 Å²	204	61.8 Å²	61.8	77%	0.77	30%	0.295	S	S	*	.	H	α-helix	trans	-60.2	-36.1	179.9	-64.4	177.2	-179.6	135	-0.6	111.5	L593 E594	R590-L593 PolarHBondContact O-N 3.44Å; R590-E594 VanDerWaalsContact O-CG 3.27Å; R590-E594 WeakPolarHBondContact O-CG 3.35Å; R590-E594 PolarHBondContact O-N 2.92Å
591	E	79.1	Confident	79.8	Confident	155 Å²	155	62.9 Å²	62.9	72%	0.724	30%	0.302	S	S	*	.	H	α-helix	trans	-69.6	-39.8	179.3	-62.5	175.7	-174.7	0	0	112.4	T589 E594 A595	T589-E591 PolarHBondContact O-N 2.68Å; E591-E594 PolarHBondContact O-N 2.86Å; E591-A595 WeakPolarHBondContact O-CB 3.47Å; E591-A595 PolarHBondContact O-N 3.44Å
592	S	79.4	Confident	79.7	Confident	33 Å²	33	66.5 Å²	66.5	23%	0.231	33%	0.331	C	S	.	.	H	α-helix	trans	-65.7	-40	175.6	55	0	0	0	0	111.9	E584 T589 A595 L596	E584-S592 VanDerWaalsContact OE2-CB 3.31Å; E584-S592 WeakPolarHBondContact OE2-CB 3.31Å; E584-S592 PolarHBondContact OE2-OG 3.13Å; T589-S592 PolarHBondContact N-OG 3.39Å; T589-S592 VanDerWaalsContact N-OG 3.08Å; T589-S592 PolarHBondContact O-N 3.24Å; T589-S592 PolarHBondContact O-OG 3.45Å; T589-S592 WeakPolarHBondContact OG1-CB 3.39Å; T589-S592 PolarHBondContact OG1-N 3.05Å; T589-S592 PolarHBondContact OG1-OG 2.93Å; S592-A595 PolarHBondContact O-N 2.91Å; S592-L596 VanDerWaalsContact O-CB 3.29Å; S592-L596 WeakPolarHBondContact O-CB 3.39Å; S592-L596 PolarHBondContact O-N 3.43Å
593	L	79.4	Confident	79.4	Confident	17 Å²	17	66.6 Å²	66.6	9%	0.089	34%	0.336	C	S	.	.	H	α-helix	trans	-61.1	-44.7	173.4	179.9	63.6	0	0	0	111.4	A581 E584 T589 R590 L596 L597	A581-L593 HydrophobicContact CB-CD1 4.45Å; E584-L593 HydrophobicContact CB-CB 4.18Å; E584-L593 HydrophobicContact CB-CD1 3.72Å; T589-L593 PolarHBondContact O-N 2.94Å; T589-L593 VanDerWaalsContact O-N 3.13Å; R590-L593 PolarHBondContact O-N 3.44Å; L593-L596 PolarHBondContact O-N 2.93Å; L593-L597 HydrophobicContact CD1-CD1 3.73Å; L593-L597 HydrophobicContact CD1-CG 4.11Å; L593-L597 HydrophobicContact CD2-CD1 4.41Å; L593-L597 HydrophobicContact CG-CD1 3.7Å; L593-L597 HydrophobicContact CG-CG 4.42Å; L593-L597 WeakPolarHBondContact O-CB 3.36Å; L593-L597 WeakPolarHBondContact O-CG 3.37Å; L593-L597 PolarHBondContact O-N 2.74Å
594	E	79.3	Confident	78.9	Confident	38 Å²	38	66.7 Å²	66.7	18%	0.178	34%	0.337	C	S	.	.	H	α-helix	trans	-65.2	-45.4	178.5	-72.3	175.8	171.5	0	0	112.5	R590 E591 L596 L597 Q598 K618	R590-E594 VanDerWaalsContact O-CG 3.27Å; R590-E594 WeakPolarHBondContact O-CG 3.35Å; R590-E594 PolarHBondContact O-N 2.92Å; E591-E594 PolarHBondContact O-N 2.86Å; E594-L596 VanDerWaalsContact C-N 3.3Å; E594-L596 PolarHBondContact O-N 3.15Å; E594-L597 PolarHBondContact O-N 2.69Å; E594-Q598 WeakPolarHBondContact O-CB 3.42Å; E594-Q598 VanDerWaalsContact O-CG 3.32Å; E594-Q598 WeakPolarHBondContact O-CG 3.4Å; E594-Q598 PolarHBondContact O-N 3.46Å; E594-K618 HydrophobicContact CG-CD 4.48Å; E594-K618 VanDerWaalsContact OE1-CD 3.32Å; E594-K618 WeakPolarHBondContact OE1-CD 3.46Å; E594-K618 WeakPolarHBondContact OE1-CE 3.21Å; E594-K618 IonicContact OE1-NZ 2.76Å; E594-K618 PolarHBondContact OE1-NZ 3.34Å; E594-K618 WeakPolarHBondContact OE2-CE 3.42Å; E594-K618 IonicContact OE2-NZ 3.62Å; E594-K618 PolarHBondContact OE2-NZ 2.79Å
595	A	83.3	Confident	78.5	Confident	33 Å²	33	68.9 Å²	68.9	27%	0.273	35%	0.353	S	S	.	.	H	α-helix	trans	-61.4	-40.8	176.5	0	0	0	0	0	111.2	E591 S592 R599	E591-A595 WeakPolarHBondContact O-CB 3.47Å; E591-A595 PolarHBondContact O-N 3.44Å; S592-A595 PolarHBondContact O-N 2.91Å; A595-R599 VanDerWaalsContact O-CG 3.29Å; A595-R599 WeakPolarHBondContact O-CG 3.25Å; A595-R599 PolarHBondContact O-N 2.91Å; A595-R599 VanDerWaalsContact O-N 3.16Å
596	L	83.5	Confident	78.3	Confident	20 Å²	20	73.4 Å²	73.4	11%	0.105	37%	0.372	C	S	.	.	H	α-helix	trans	-63.8	-46.6	175.1	-177.1	70.8	0	0	0	111.2	L567 W577 A580 A581 E584 S592 L593 E594 R599 A600	L567-L596 HydrophobicContact CD1-CD1 3.58Å; W577-L596 HydrophobicContact CE3-CD1 4.14Å; W577-L596 HydrophobicContact CZ3-CD1 3.79Å; W577-L596 HydrophobicContact CZ3-CG 4.42Å; A580-L596 HydrophobicContact CB-CD2 3.86Å; A581-L596 HydrophobicContact CB-CD2 4.37Å; E584-L596 HydrophobicContact CB-CD2 4.4Å; E584-L596 HydrophobicContact CG-CD2 3.89Å; S592-L596 VanDerWaalsContact O-CB 3.29Å; S592-L596 WeakPolarHBondContact O-CB 3.39Å; S592-L596 PolarHBondContact O-N 3.43Å; L593-L596 PolarHBondContact O-N 2.93Å; E594-L596 VanDerWaalsContact C-N 3.3Å; E594-L596 PolarHBondContact O-N 3.15Å; L596-R599 PolarHBondContact O-N 3.1Å; L596-A600 WeakPolarHBondContact O-CB 3.33Å; L596-A600 PolarHBondContact O-N 3.35Å
597	L	81.3	Confident	78.1	Confident	6 Å²	6	68.5 Å²	68.5	3%	0.031	35%	0.348	C	S	.	.	H	α-helix	trans	-68.1	-35.2	-178.3	-70.8	169.5	0	0	0	112.3	A581 L593 E594 A600 V601 L610 M613	A581-L597 HydrophobicContact CB-CD2 4Å; L593-L597 HydrophobicContact CD1-CD1 3.73Å; L593-L597 HydrophobicContact CD1-CG 4.11Å; L593-L597 HydrophobicContact CD2-CD1 4.41Å; L593-L597 HydrophobicContact CG-CD1 3.7Å; L593-L597 HydrophobicContact CG-CG 4.42Å; L593-L597 WeakPolarHBondContact O-CB 3.36Å; L593-L597 WeakPolarHBondContact O-CG 3.37Å; L593-L597 PolarHBondContact O-N 2.74Å; E594-L597 PolarHBondContact O-N 2.69Å; L597-A600 WeakPolarHBondContact O-CB 3.35Å; L597-A600 PolarHBondContact O-N 3.18Å; L597-V601 WeakPolarHBondContact O-CB 3.42Å; L597-V601 VanDerWaalsContact O-CG2 3.28Å; L597-V601 WeakPolarHBondContact O-CG2 3.49Å; L597-V601 PolarHBondContact O-N 3.27Å; L597-L610 HydrophobicContact CD2-CD2 4.33Å; L597-M613 HydrophobicContact CD1-CG 4.31Å; L597-M613 HydrophobicContact CD2-CB 4.28Å; L597-M613 HydrophobicContact CD2-CG 4.44Å
598	Q	82.3	Confident	78.3	Confident	123 Å²	123	68.2 Å²	68.2	58%	0.575	35%	0.347	S	S	*	.	H	α-helix	trans	-62.8	-44.8	171.9	-74.9	176.1	-2.9	0	0	111.8	E594 A600 V601 A602	E594-Q598 WeakPolarHBondContact O-CB 3.42Å; E594-Q598 VanDerWaalsContact O-CG 3.32Å; E594-Q598 WeakPolarHBondContact O-CG 3.4Å; E594-Q598 PolarHBondContact O-N 3.46Å; Q598-A600 VanDerWaalsContact C-N 3.32Å; Q598-A600 PolarHBondContact O-N 2.67Å; Q598-V601 PolarHBondContact O-N 2.83Å; Q598-A602 PolarHBondContact O-N 3.36Å; Q598-A602 VanDerWaalsContact O-N 3.14Å
599	R	82.3	Confident	78.8	Confident	151 Å²	151	70 Å²	70	57%	0.57	35%	0.352	S	S	*	.	H	α-helix	trans	-63	-41	173.4	-66.3	173.5	-158.3	166.3	6	111.2	W577 A595 L596 V601 A602 H603	W577-R599 HydrophobicContact CH2-CB 3.88Å; W577-R599 HydrophobicContact CZ3-CB 4.05Å; A595-R599 VanDerWaalsContact O-CG 3.29Å; A595-R599 WeakPolarHBondContact O-CG 3.25Å; A595-R599 PolarHBondContact O-N 2.91Å; A595-R599 VanDerWaalsContact O-N 3.16Å; L596-R599 PolarHBondContact O-N 3.1Å; R599-V601 VanDerWaalsContact C-N 3.32Å; R599-V601 PolarHBondContact O-N 3.3Å; R599-A602 PolarHBondContact O-N 3.5Å; R599-H603 PolarHBondContact O-CD2 3.36Å; R599-H603 VanDerWaalsContact O-CD2 3.23Å; R599-H603 PolarHBondContact O-N 3.38Å
600	A	81.6	Confident	79.4	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.008	33%	0.329	C	S	.	.	H	α-helix	trans	-62	-42.4	179.7	0	0	0	0	0	111.7	W577 L596 L597 Q598 H603 C604 L610	W577-A600 HydrophobicContact CD2-CB 3.77Å; W577-A600 HydrophobicContact CE3-CB 3.26Å; W577-A600 HydrophobicContact CG-CB 4.38Å; W577-A600 HydrophobicContact CH2-CB 4.44Å; W577-A600 VanDerWaalsContact CZ3-CA 3.48Å; W577-A600 HydrophobicContact CZ3-CB 3.64Å; L596-A600 WeakPolarHBondContact O-CB 3.33Å; L596-A600 PolarHBondContact O-N 3.35Å; L597-A600 WeakPolarHBondContact O-CB 3.35Å; L597-A600 PolarHBondContact O-N 3.18Å; Q598-A600 VanDerWaalsContact C-N 3.32Å; Q598-A600 PolarHBondContact O-N 2.67Å; A600-H603 PolarHBondContact O-N 2.84Å; A600-C604 WeakPolarHBondContact O-CA 3.32Å; A600-C604 WeakPolarHBondContact O-CB 3.33Å; A600-C604 PolarHBondContact O-N 2.98Å; A600-L610 HydrophobicContact CB-CD1 4.12Å
601	V	77.4	Confident	80.1	Confident	25 Å²	25	56.8 Å²	56.8	15%	0.152	29%	0.294	C	S	.	.	H	α-helix	trans	-62.8	-41	176	153.4	0	0	0	0	112	L597 Q598 R599 W611 L633	L597-V601 WeakPolarHBondContact O-CB 3.42Å; L597-V601 VanDerWaalsContact O-CG2 3.28Å; L597-V601 WeakPolarHBondContact O-CG2 3.49Å; L597-V601 PolarHBondContact O-N 3.27Å; Q598-V601 PolarHBondContact O-N 2.83Å; R599-V601 VanDerWaalsContact C-N 3.32Å; R599-V601 PolarHBondContact O-N 3.3Å; V601-W611 HydrophobicContact CB-CE3 4.45Å; V601-W611 HydrophobicContact CB-CH2 4Å; V601-W611 HydrophobicContact CB-CZ2 4.1Å; V601-W611 HydrophobicContact CB-CZ3 4.14Å; V601-W611 HydrophobicContact CG1-CE3 4.19Å; V601-W611 HydrophobicContact CG1-CH2 3.01Å; V601-W611 HydrophobicContact CG1-CZ2 3.41Å; V601-W611 VanDerWaalsContact CG1-CZ2 3.41Å; V601-W611 HydrophobicContact CG1-CZ3 3.43Å; V601-W611 VanDerWaalsContact CG1-CZ3 3.43Å; V601-W611 HydrophobicContact CG2-CD2 3.64Å; V601-W611 HydrophobicContact CG2-CE3 3.47Å; V601-W611 VanDerWaalsContact CG2-CE3 3.47Å; V601-W611 HydrophobicContact CG2-CG 4.45Å; V601-W611 HydrophobicContact CG2-CH2 3.91Å; V601-W611 HydrophobicContact CG2-CZ2 3.99Å; V601-W611 HydrophobicContact CG2-CZ3 3.61Å; V601-L633 HydrophobicContact CG1-CD2 4.14Å
602	A	81	Confident	80.3	Confident	75 Å²	75	50.7 Å²	50.7	62%	0.62	27%	0.266	S	S	*	.	H	α-helix	trans	-67.3	-41.4	178.9	0	0	0	0	0	112.6	Q598 R599	Q598-A602 PolarHBondContact O-N 3.36Å; Q598-A602 VanDerWaalsContact O-N 3.14Å; R599-A602 PolarHBondContact O-N 3.5Å
603	H	78.6	Confident	80.4	Confident	113 Å²	113	50.1 Å²	50.1	52%	0.523	26%	0.26	S	S	.	.	H	α-helix	trans	-89.8	-28.9	-176.4	-69.5	-68.7	0	0	0	114.2	P571 W577 R599 A600 P605	P571-H603 HydrophobicContact CB-CB 4.28Å; W577-H603 HydrophobicContact CZ2-CB 3.99Å; R599-H603 PolarHBondContact O-CD2 3.36Å; R599-H603 VanDerWaalsContact O-CD2 3.23Å; R599-H603 PolarHBondContact O-N 3.38Å; A600-H603 PolarHBondContact O-N 2.84Å; H603-P605 WeakPolarHBondContact O-CD 3.24Å
604	C	74.8	Confident	80.4	Confident	11 Å²	11	49.5 Å²	49.5	7%	0.074	26%	0.258	C	S	.	.			trans	-126	68.8	-176.6	-81.5	0	0	0	0	112	P571 W577 A600 K606 A607	P571-C604 PolarHBondContact O-SG 3.34Å; W577-C604 VanDerWaalsContact CD1-SG 3.56Å; A600-C604 WeakPolarHBondContact O-CA 3.32Å; A600-C604 WeakPolarHBondContact O-CB 3.33Å; A600-C604 PolarHBondContact O-N 2.98Å; C604-K606 VanDerWaalsContact C-N 3.3Å; C604-K606 PolarHBondContact O-N 3.33Å; C604-A607 HydrophobicContact CB-CB 4.18Å; C604-A607 PolarHBondContact O-N 3.12Å
605	P	74.5	Confident	80.6	Confident	60 Å²	60	48 Å²	48	39%	0.39	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-28.5	-174.7	24.9	-34.3	0	0	0	113.7	H603 A607 W611 A637 N638	H603-P605 WeakPolarHBondContact O-CD 3.24Å; P605-A607 VanDerWaalsContact C-N 3.29Å; P605-A607 PolarHBondContact O-N 3.25Å; P605-W611 PolarHBondContact O-NE1 3.48Å; P605-A637 HydrophobicContact CB-CB 4.42Å; P605-N638 PolarHBondContact O-ND2 3.17Å
606	K	76.8	Confident	80.5	Confident	183 Å²	183	50.3 Å²	50.3	80%	0.796	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-6	-179.4	-61.6	-178.5	-178.5	179	0	114.2	C604 E608	C604-K606 VanDerWaalsContact C-N 3.3Å; C604-K606 PolarHBondContact O-N 3.33Å; K606-E608 PolarHBondContact O-N 3.48Å
607	A	77.2	Confident	80.4	Confident	15 Å²	15	50.3 Å²	50.3	12%	0.124	26%	0.257	C	S	.	.			trans	-87.8	86.8	-174.6	0	0	0	0	0	111.7	K574 C604 P605 V609 L610 W611	K574-A607 HydrophobicContact CB-CB 4.27Å; C604-A607 HydrophobicContact CB-CB 4.18Å; C604-A607 PolarHBondContact O-N 3.12Å; P605-A607 VanDerWaalsContact C-N 3.29Å; P605-A607 PolarHBondContact O-N 3.25Å; A607-V609 VanDerWaalsContact C-N 3.31Å; A607-V609 PolarHBondContact O-N 3.23Å; A607-L610 HydrophobicContact CB-CB 4.46Å; A607-L610 HydrophobicContact CB-CD1 3.68Å; A607-L610 HydrophobicContact CB-CG 4.19Å; A607-L610 PolarHBondContact O-N 3.4Å; A607-L610 VanDerWaalsContact O-N 3.14Å; A607-W611 VanDerWaalsContact O-CD1 3.25Å; A607-W611 PolarHBondContact O-N 3.33Å
608	E	80.1	Confident	80.4	Confident	62 Å²	62	51.6 Å²	51.6	29%	0.29	26%	0.263	S	S	.	.	H	α-helix	trans	-54.4	-40.4	-176.1	-57.7	175.5	-172.5	0	0	113.9	K606 L610 W611 L612 S641 I644	K606-E608 PolarHBondContact O-N 3.48Å; E608-L610 VanDerWaalsContact C-N 3.26Å; E608-L610 PolarHBondContact O-N 2.81Å; E608-W611 WeakPolarHBondContact O-CB 3.47Å; E608-W611 PolarHBondContact O-N 2.88Å; E608-L612 VanDerWaalsContact O-CG 3.32Å; E608-L612 WeakPolarHBondContact O-CG 3.45Å; E608-L612 PolarHBondContact O-N 2.92Å; E608-S641 VanDerWaalsContact CD-CB 3.45Å; E608-S641 VanDerWaalsContact OE1-CB 3.29Å; E608-S641 WeakPolarHBondContact OE1-CB 2.9Å; E608-S641 PolarHBondContact OE1-OG 3.46Å; E608-I644 HydrophobicContact CG-CD1 4.36Å
609	V	83.2	Confident	80.4	Confident	63 Å²	63	47.5 Å²	47.5	38%	0.382	24%	0.242	S	C	.	.	H	α-helix	trans	-62.7	-33.8	-178	-176.6	0	0	0	0	112.1	L578 A607 L612 M613	L578-V609 HydrophobicContact CD1-CB 4.28Å; L578-V609 HydrophobicContact CD1-CG1 3.54Å; A607-V609 VanDerWaalsContact C-N 3.31Å; A607-V609 PolarHBondContact O-N 3.23Å; V609-L612 PolarHBondContact O-N 3.38Å; V609-M613 WeakPolarHBondContact O-CB 3.48Å; V609-M613 PolarHBondContact O-N 2.93Å
610	L	82.6	Confident	80.3	Confident	3 Å²	3	46.1 Å²	46.1	2%	0.016	25%	0.245	C	C	.	.	H	α-helix	trans	-72.1	-39.6	178.7	-64.6	171	0	0	0	111.1	W577 L578 A581 L597 A600 A607 E608 L612 M613 G614	W577-L610 HydrophobicContact CB-CD1 3.52Å; W577-L610 HydrophobicContact CB-CD2 4.15Å; W577-L610 HydrophobicContact CB-CG 4.49Å; W577-L610 HydrophobicContact CG-CD1 4.2Å; L578-L610 HydrophobicContact CD1-CD2 4.23Å; A581-L610 HydrophobicContact CB-CD2 4.17Å; L597-L610 HydrophobicContact CD2-CD2 4.33Å; A600-L610 HydrophobicContact CB-CD1 4.12Å; A607-L610 HydrophobicContact CB-CB 4.46Å; A607-L610 HydrophobicContact CB-CD1 3.68Å; A607-L610 HydrophobicContact CB-CG 4.19Å; A607-L610 PolarHBondContact O-N 3.4Å; A607-L610 VanDerWaalsContact O-N 3.14Å; E608-L610 VanDerWaalsContact C-N 3.26Å; E608-L610 PolarHBondContact O-N 2.81Å; L610-L612 VanDerWaalsContact C-N 3.34Å; L610-L612 PolarHBondContact O-N 3.37Å; L610-M613 PolarHBondContact O-N 3.35Å; L610-G614 PolarHBondContact O-N 2.74Å
611	W	83.9	Confident	80	Confident	6 Å²	6	48.9 Å²	48.9	2%	0.023	27%	0.268	C	S	.	.	H	α-helix	trans	-59.3	-45.4	171.2	-70.4	107.1	0	0	0	112.1	V601 P605 A607 E608 M613 G614 A615 I630 L633 A634 A637	V601-W611 HydrophobicContact CB-CE3 4.45Å; V601-W611 HydrophobicContact CB-CH2 4Å; V601-W611 HydrophobicContact CB-CZ2 4.1Å; V601-W611 HydrophobicContact CB-CZ3 4.14Å; V601-W611 HydrophobicContact CG1-CE3 4.19Å; V601-W611 HydrophobicContact CG1-CH2 3.01Å; V601-W611 HydrophobicContact CG1-CZ2 3.41Å; V601-W611 VanDerWaalsContact CG1-CZ2 3.41Å; V601-W611 HydrophobicContact CG1-CZ3 3.43Å; V601-W611 VanDerWaalsContact CG1-CZ3 3.43Å; V601-W611 HydrophobicContact CG2-CD2 3.64Å; V601-W611 HydrophobicContact CG2-CE3 3.47Å; V601-W611 VanDerWaalsContact CG2-CE3 3.47Å; V601-W611 HydrophobicContact CG2-CG 4.45Å; V601-W611 HydrophobicContact CG2-CH2 3.91Å; V601-W611 HydrophobicContact CG2-CZ2 3.99Å; V601-W611 HydrophobicContact CG2-CZ3 3.61Å; P605-W611 PolarHBondContact O-NE1 3.48Å; A607-W611 VanDerWaalsContact O-CD1 3.25Å; A607-W611 PolarHBondContact O-N 3.33Å; E608-W611 WeakPolarHBondContact O-CB 3.47Å; E608-W611 PolarHBondContact O-N 2.88Å; W611-M613 VanDerWaalsContact C-N 3.31Å; W611-M613 PolarHBondContact O-N 3.03Å; W611-G614 PolarHBondContact O-N 2.91Å; W611-A615 WeakPolarHBondContact O-CB 3.41Å; W611-A615 PolarHBondContact O-N 3.4Å; W611-I630 HydrophobicContact CE3-CG2 3.89Å; W611-I630 HydrophobicContact CZ3-CG2 4.11Å; W611-L633 HydrophobicContact CH2-CB 4.09Å; W611-L633 HydrophobicContact CH2-CD2 3.53Å; W611-L633 HydrophobicContact CH2-CG 3.79Å; W611-L633 HydrophobicContact CZ3-CB 3.98Å; W611-L633 HydrophobicContact CZ3-CD2 3.77Å; W611-L633 HydrophobicContact CZ3-CG 4.13Å; W611-A634 HydrophobicContact CB-CB 4.08Å; W611-A634 HydrophobicContact CD2-CB 3.69Å; W611-A634 HydrophobicContact CE3-CB 3.6Å; W611-A634 HydrophobicContact CG-CB 3.94Å; W611-A634 HydrophobicContact CZ3-CB 4.1Å; W611-A637 HydrophobicContact CZ2-CB 3.86Å
612	L	83.3	Confident	80	Confident	26 Å²	26	50.4 Å²	50.4	14%	0.136	29%	0.289	C	S	.	.	H	α-helix	trans	-63.8	-37.6	176.8	-67.5	177	0	0	0	112	E608 V609 L610 K616 E643 A647	E608-L612 VanDerWaalsContact O-CG 3.32Å; E608-L612 WeakPolarHBondContact O-CG 3.45Å; E608-L612 PolarHBondContact O-N 2.92Å; V609-L612 PolarHBondContact O-N 3.38Å; L610-L612 VanDerWaalsContact C-N 3.34Å; L610-L612 PolarHBondContact O-N 3.37Å; L612-K616 WeakPolarHBondContact O-CB 3.46Å; L612-K616 VanDerWaalsContact O-CG 3.26Å; L612-K616 WeakPolarHBondContact O-CG 3.38Å; L612-K616 PolarHBondContact O-N 3.24Å; L612-E643 HydrophobicContact CD1-CB 3.85Å; L612-A647 HydrophobicContact CD2-CB 3.18Å
613	M	81.1	Confident	80	Confident	21 Å²	21	50.2 Å²	50.2	10%	0.103	28%	0.277	C	S	.	.	H	α-helix	trans	-67.9	-41.8	175.5	-164.7	173.8	-66.8	0	0	111.4	L578 A581 Y582 L597 V609 L610 W611 K616 S617	L578-M613 HydrophobicContact CD1-CE 3.96Å; A581-M613 HydrophobicContact CB-CE 4.47Å; A581-M613 HydrophobicContact CB-SD 3.42Å; A581-M613 WeakPolarHBondContact CB-SD 3.17Å; Y582-M613 HydrophobicContact CD1-CE 3.87Å; Y582-M613 HydrophobicContact CE1-CE 3.6Å; Y582-M613 HydrophobicContact CE2-CE 4.32Å; Y582-M613 HydrophobicContact CG-CE 4.32Å; L597-M613 HydrophobicContact CD1-CG 4.31Å; L597-M613 HydrophobicContact CD2-CB 4.28Å; L597-M613 HydrophobicContact CD2-CG 4.44Å; V609-M613 WeakPolarHBondContact O-CB 3.48Å; V609-M613 PolarHBondContact O-N 2.93Å; L610-M613 PolarHBondContact O-N 3.35Å; W611-M613 VanDerWaalsContact C-N 3.31Å; W611-M613 PolarHBondContact O-N 3.03Å; M613-K616 PolarHBondContact O-N 3.34Å; M613-S617 WeakPolarHBondContact O-CB 3.3Å; M613-S617 PolarHBondContact O-N 3.29Å; M613-S617 PolarHBondContact O-OG 3.38Å
614	G	81.1	Confident	80.2	Confident	5 Å²	5	45.8 Å²	45.8	5%	0.052	26%	0.258	C	S	.	.	H	α-helix	trans	-58.4	-53.2	173.2	0	0	0	0	0	112.3	L610 W611 K616 S617 K618	L610-G614 PolarHBondContact O-N 2.74Å; W611-G614 PolarHBondContact O-N 2.91Å; G614-K616 VanDerWaalsContact C-N 3.31Å; G614-K616 PolarHBondContact O-N 2.91Å; G614-S617 PolarHBondContact O-N 3.26Å; G614-S617 PolarHBondContact O-OG 3.15Å; G614-K618 PolarHBondContact O-N 3.28Å; G614-K618 VanDerWaalsContact O-N 3.15Å
615	A	82.6	Confident	80.7	Confident	5 Å²	5	49.3 Å²	49.3	4%	0.041	28%	0.281	C	S	.	.	H	α-helix	trans	-58.3	-42.7	177.4	0	0	0	0	0	112.1	W611 W619 L631	W611-A615 WeakPolarHBondContact O-CB 3.41Å; W611-A615 PolarHBondContact O-N 3.4Å; A615-W619 VanDerWaalsContact O-CB 3.23Å; A615-W619 WeakPolarHBondContact O-CB 3.11Å; A615-W619 PolarHBondContact O-N 2.65Å; A615-L631 HydrophobicContact CB-CD1 4.1Å; A615-L631 HydrophobicContact CB-CD2 3.82Å; A615-L631 HydrophobicContact CB-CG 3.71Å
616	K	81.3	Confident	81.1	Confident	82 Å²	82	47.7 Å²	47.7	36%	0.357	27%	0.272	S	S	.	.	H	α-helix	trans	-65.5	-41.2	176.1	-78.2	-179.9	178.4	-169.9	0	113	L612 M613 G614 W619 L620	L612-K616 WeakPolarHBondContact O-CB 3.46Å; L612-K616 VanDerWaalsContact O-CG 3.26Å; L612-K616 WeakPolarHBondContact O-CG 3.38Å; L612-K616 PolarHBondContact O-N 3.24Å; M613-K616 PolarHBondContact O-N 3.34Å; G614-K616 VanDerWaalsContact C-N 3.31Å; G614-K616 PolarHBondContact O-N 2.91Å; K616-W619 PolarHBondContact O-N 3.49Å; K616-L620 WeakPolarHBondContact O-CG 3.5Å; K616-L620 PolarHBondContact O-N 3.41Å
617	S	82.2	Confident	81.4	Confident	20 Å²	20	39 Å²	39	14%	0.14	24%	0.235	C	C	.	.	H	α-helix	trans	-61.8	-46.8	-179.8	68.2	0	0	0	0	111.7	M613 G614 W619 L620 A621	M613-S617 WeakPolarHBondContact O-CB 3.3Å; M613-S617 PolarHBondContact O-N 3.29Å; M613-S617 PolarHBondContact O-OG 3.38Å; G614-S617 PolarHBondContact O-N 3.26Å; G614-S617 PolarHBondContact O-OG 3.15Å; S617-W619 VanDerWaalsContact C-N 3.34Å; S617-W619 PolarHBondContact O-N 3.1Å; S617-L620 PolarHBondContact O-N 3.46Å; S617-A621 PolarHBondContact O-N 3.45Å; S617-A621 VanDerWaalsContact O-N 3.08Å
618	K	81.3	Confident	81.8	Confident	34 Å²	34	41.1 Å²	41.1	15%	0.148	24%	0.239	C	C	.	.	H	α-helix	trans	-64.7	-37.7	174.8	-74.1	-66.7	-176.4	-172.3	0	112.8	E594 G614 A621 G622 D623 A626 A627 I630	E594-K618 HydrophobicContact CG-CD 4.48Å; E594-K618 VanDerWaalsContact OE1-CD 3.32Å; E594-K618 WeakPolarHBondContact OE1-CD 3.46Å; E594-K618 WeakPolarHBondContact OE1-CE 3.21Å; E594-K618 IonicContact OE1-NZ 2.76Å; E594-K618 PolarHBondContact OE1-NZ 3.34Å; E594-K618 WeakPolarHBondContact OE2-CE 3.42Å; E594-K618 IonicContact OE2-NZ 3.62Å; E594-K618 PolarHBondContact OE2-NZ 2.79Å; G614-K618 PolarHBondContact O-N 3.28Å; G614-K618 VanDerWaalsContact O-N 3.15Å; K618-A621 WeakPolarHBondContact O-CB 3.49Å; K618-A621 PolarHBondContact O-N 2.96Å; K618-G622 PolarHBondContact O-N 3.05Å; K618-D623 PolarHBondContact O-N 3.43Å; K618-A626 HydrophobicContact CD-CB 4.4Å; K618-A627 HydrophobicContact CB-CB 3.94Å; K618-I630 HydrophobicContact CG-CD1 3.66Å
619	W	82.5	Confident	82.1	Confident	36 Å²	36	42 Å²	42	14%	0.136	25%	0.253	C	S	.	.	H	α-helix	trans	-65.3	-41.8	175.6	176.6	51	0	0	0	112.7	A615 K616 S617 A621 G622 A627 L651 E654	A615-W619 VanDerWaalsContact O-CB 3.23Å; A615-W619 WeakPolarHBondContact O-CB 3.11Å; A615-W619 PolarHBondContact O-N 2.65Å; K616-W619 PolarHBondContact O-N 3.49Å; S617-W619 VanDerWaalsContact C-N 3.34Å; S617-W619 PolarHBondContact O-N 3.1Å; W619-A621 PolarHBondContact O-N 3.11Å; W619-G622 PolarHBondContact O-N 3.21Å; W619-A627 HydrophobicContact CB-CB 4.31Å; W619-L651 HydrophobicContact CB-CD1 4.37Å; W619-L651 HydrophobicContact CG-CD1 4.42Å; W619-E654 WeakPolarHBondContact CH2-OE1 3.3Å; W619-E654 WeakPolarHBondContact CH2-OE2 3.45Å; W619-E654 HydrophobicContact CZ2-CB 4.12Å; W619-E654 HydrophobicContact CZ2-CG 4.27Å; W619-E654 WeakPolarHBondContact CZ2-OE2 3.47Å
620	L	78.3	Confident	82.2	Confident	123 Å²	123	40.8 Å²	40.8	64%	0.644	24%	0.244	S	C	*	.	H	α-helix	trans	-66.8	-26.4	174.4	-70.3	174.9	0	0	0	112.7	K616 S617 G622	K616-L620 WeakPolarHBondContact O-CG 3.5Å; K616-L620 PolarHBondContact O-N 3.41Å; S617-L620 PolarHBondContact O-N 3.46Å; L620-G622 PolarHBondContact O-N 2.92Å
621	A	75.3	Confident	82.2	Confident	58 Å²	58	41 Å²	41	48%	0.479	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-7.1	171.7	0	0	0	0	0	113.4	S617 K618 W619 D623	S617-A621 PolarHBondContact O-N 3.45Å; S617-A621 VanDerWaalsContact O-N 3.08Å; K618-A621 WeakPolarHBondContact O-CB 3.49Å; K618-A621 PolarHBondContact O-N 2.96Å; W619-A621 PolarHBondContact O-N 3.11Å; A621-D623 VanDerWaalsContact C-N 3.31Å
622	G	77.3	Confident	82.2	Confident	57 Å²	57	43 Å²	43	59%	0.588	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	-4.1	-178.6	0	0	0	0	0	114.4	K618 W619 L620 V624	K618-G622 PolarHBondContact O-N 3.05Å; W619-G622 PolarHBondContact O-N 3.21Å; L620-G622 PolarHBondContact O-N 2.92Å; G622-V624 PolarHBondContact O-N 3.25Å; G622-V624 VanDerWaalsContact O-N 3.11Å
623	D	82.9	Confident	82.3	Confident	71 Å²	71	45.8 Å²	45.8	38%	0.38	28%	0.277	S	S	.	.			trans	-86.8	80.8	177.6	-169	-12.1	0	0	0	110.9	K618 A621 P625 A626 A627	K618-D623 PolarHBondContact O-N 3.43Å; A621-D623 VanDerWaalsContact C-N 3.31Å; D623-P625 VanDerWaalsContact OD1-CD 3.31Å; D623-P625 WeakPolarHBondContact OD1-CD 3.36Å; D623-A626 HydrophobicContact CB-CB 4.23Å; D623-A626 WeakPolarHBondContact OD1-CB 3.49Å; D623-A626 PolarHBondContact OD1-N 3.4Å; D623-A626 WeakPolarHBondContact OD2-CB 3.46Å; D623-A627 PolarHBondContact O-N 3.3Å
624	V	82.5	Confident	82.4	Confident	21 Å²	21	44.8 Å²	44.8	13%	0.127	27%	0.272	C	S	.	.	H	α-helix	trans	-63.9	-44.5	177.5	-176	0	0	0	0	112.2	G622 A626 A627 R628 L651 N655	G622-V624 PolarHBondContact O-N 3.25Å; G622-V624 VanDerWaalsContact O-N 3.11Å; V624-A626 PolarHBondContact O-N 3.46Å; V624-A627 PolarHBondContact O-N 3.41Å; V624-R628 VanDerWaalsContact CG1-CZ 3.45Å; V624-R628 WeakPolarHBondContact O-CG 3.3Å; V624-R628 PolarHBondContact O-N 2.84Å; V624-L651 HydrophobicContact CG1-CD2 3.81Å; V624-N655 WeakPolarHBondContact CG1-ND2 3.33Å
625	P	85.4	Confident	82.5	Confident	84 Å²	84	46.6 Å²	46.6	55%	0.545	28%	0.279	S	S	.	.	H	α-helix	trans	-59.2	-42.7	177.2	-25.6	36.1	0	0	0	113.9	D623 R628 S629	D623-P625 VanDerWaalsContact OD1-CD 3.31Å; D623-P625 WeakPolarHBondContact OD1-CD 3.36Å; P625-R628 WeakPolarHBondContact O-CB 3.29Å; P625-R628 PolarHBondContact O-N 2.85Å; P625-S629 PolarHBondContact O-N 3.19Å
626	A	82.8	Confident	82.5	Confident	26 Å²	26	53.8 Å²	53.8	22%	0.215	31%	0.312	C	S	.	.	H	α-helix	trans	-66.7	-39.9	177	0	0	0	0	0	112	K618 D623 V624 R628 S629 I630	K618-A626 HydrophobicContact CD-CB 4.4Å; D623-A626 HydrophobicContact CB-CB 4.23Å; D623-A626 WeakPolarHBondContact OD1-CB 3.49Å; D623-A626 PolarHBondContact OD1-N 3.4Å; D623-A626 WeakPolarHBondContact OD2-CB 3.46Å; V624-A626 PolarHBondContact O-N 3.46Å; A626-R628 VanDerWaalsContact C-N 3.29Å; A626-R628 PolarHBondContact O-N 3.29Å; A626-S629 WeakPolarHBondContact O-CB 3.41Å; A626-S629 PolarHBondContact O-N 3.18Å; A626-S629 VanDerWaalsContact O-N 3.14Å; A626-I630 WeakPolarHBondContact O-CG1 3.04Å; A626-I630 PolarHBondContact O-N 2.93Å
627	A	83.6	Confident	82.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-60.7	-38.3	174.5	0	0	0	0	0	112.1	K618 W619 D623 V624 I630 L631 L651	K618-A627 HydrophobicContact CB-CB 3.94Å; W619-A627 HydrophobicContact CB-CB 4.31Å; D623-A627 PolarHBondContact O-N 3.3Å; V624-A627 PolarHBondContact O-N 3.41Å; A627-I630 PolarHBondContact O-N 3.09Å; A627-L631 WeakPolarHBondContact O-CG 2.9Å; A627-L631 PolarHBondContact O-N 3.39Å; A627-L651 HydrophobicContact CB-CD1 3.63Å
628	R	84.6	Confident	82.3	Confident	60 Å²	60	51.8 Å²	51.8	23%	0.226	31%	0.309	C	S	.	.	H	α-helix	trans	-64	-42.2	172.3	-70.7	171.5	176	136.5	-1.6	112	V624 P625 A626 L631 A632 L651 E652	V624-R628 VanDerWaalsContact CG1-CZ 3.45Å; V624-R628 WeakPolarHBondContact O-CG 3.3Å; V624-R628 PolarHBondContact O-N 2.84Å; P625-R628 WeakPolarHBondContact O-CB 3.29Å; P625-R628 PolarHBondContact O-N 2.85Å; A626-R628 VanDerWaalsContact C-N 3.29Å; A626-R628 PolarHBondContact O-N 3.29Å; R628-L631 PolarHBondContact O-N 3.46Å; R628-A632 WeakPolarHBondContact O-CB 3.23Å; R628-A632 PolarHBondContact O-N 3.25Å; R628-L651 HydrophobicContact CG-CD2 3.75Å; R628-E652 WeakPolarHBondContact CD-OE1 3.43Å; R628-E652 IonicContact CZ-OE1 2.64Å; R628-E652 IonicContact CZ-OE2 3.76Å; R628-E652 IonicContact NE-OE1 3.58Å; R628-E652 PolarHBondContact NE-OE1 2.99Å; R628-E652 IonicContact NE-OE2 2.81Å; R628-E652 PolarHBondContact NE-OE2 3.47Å; R628-E652 IonicContact NH2-OE1 3.79Å; R628-E652 IonicContact NH2-OE2 3.87Å; R628-E652 PolarHBondContact NH2-OE2 2.77Å
629	S	86.9	Confident	82	Confident	81 Å²	81	53.7 Å²	53.7	57%	0.566	33%	0.325	S	S	*	.	H	α-helix	trans	-61.2	-44.8	177	-173.6	0	0	0	0	111.6	P625 A626 L631 A632 L633	P625-S629 PolarHBondContact O-N 3.19Å; A626-S629 WeakPolarHBondContact O-CB 3.41Å; A626-S629 PolarHBondContact O-N 3.18Å; A626-S629 VanDerWaalsContact O-N 3.14Å; S629-L631 PolarHBondContact O-N 2.95Å; S629-A632 WeakPolarHBondContact O-CB 3.38Å; S629-A632 PolarHBondContact O-N 3.13Å; S629-L633 PolarHBondContact O-N 3.35Å
630	I	84.3	Confident	81.4	Confident	38 Å²	38	58 Å²	58	20%	0.195	35%	0.35	C	S	.	.	H	α-helix	trans	-63.2	-41.9	176	-66.3	171.6	0	0	0	111.2	W611 K618 A626 A627 A632 L633 A634	W611-I630 HydrophobicContact CE3-CG2 3.89Å; W611-I630 HydrophobicContact CZ3-CG2 4.11Å; K618-I630 HydrophobicContact CG-CD1 3.66Å; A626-I630 WeakPolarHBondContact O-CG1 3.04Å; A626-I630 PolarHBondContact O-N 2.93Å; A627-I630 PolarHBondContact O-N 3.09Å; I630-A632 VanDerWaalsContact C-N 3.34Å; I630-L633 WeakPolarHBondContact O-CB 3.2Å; I630-L633 PolarHBondContact O-N 3.41Å; I630-A634 WeakPolarHBondContact O-CB 3.16Å; I630-A634 PolarHBondContact O-N 3.06Å
631	L	82.8	Confident	81.1	Confident	6 Å²	6	52.6 Å²	52.6	3%	0.031	32%	0.323	C	S	.	.	H	α-helix	trans	-67.1	-34.1	175.1	-75.7	169.5	0	0	0	112.5	A615 A627 R628 S629 A634 F635 I644 A648 L651	A615-L631 HydrophobicContact CB-CD1 4.1Å; A615-L631 HydrophobicContact CB-CD2 3.82Å; A615-L631 HydrophobicContact CB-CG 3.71Å; A627-L631 WeakPolarHBondContact O-CG 2.9Å; A627-L631 PolarHBondContact O-N 3.39Å; R628-L631 PolarHBondContact O-N 3.46Å; S629-L631 PolarHBondContact O-N 2.95Å; L631-A634 CarbonylContact O-C 3.59Å; L631-A634 WeakPolarHBondContact O-CB 3.35Å; L631-A634 PolarHBondContact O-N 3.27Å; L631-F635 WeakPolarHBondContact O-CD2 3.44Å; L631-F635 WeakPolarHBondContact O-CG 3.35Å; L631-F635 PolarHBondContact O-N 3.41Å; L631-I644 HydrophobicContact CD2-CG2 3.96Å; L631-A648 HydrophobicContact CD1-CB 4.2Å; L631-L651 HydrophobicContact CD1-CD1 4.09Å
632	A	84.3	Confident	81.1	Confident	49 Å²	49	52.9 Å²	52.9	41%	0.405	31%	0.314	S	S	.	.	H	α-helix	trans	-64.9	-42.2	172.9	0	0	0	0	0	111.6	R628 S629 I630 A634 F635 Q636	R628-A632 WeakPolarHBondContact O-CB 3.23Å; R628-A632 PolarHBondContact O-N 3.25Å; S629-A632 WeakPolarHBondContact O-CB 3.38Å; S629-A632 PolarHBondContact O-N 3.13Å; I630-A632 VanDerWaalsContact C-N 3.34Å; A632-A634 VanDerWaalsContact C-N 3.28Å; A632-A634 PolarHBondContact O-N 2.81Å; A632-F635 PolarHBondContact O-N 2.84Å; A632-Q636 PolarHBondContact O-N 3.09Å; A632-Q636 VanDerWaalsContact O-N 3.16Å
633	L	84.7	Confident	81.3	Confident	84 Å²	84	53.6 Å²	53.6	44%	0.44	30%	0.303	S	S	.	.	H	α-helix	trans	-61.8	-39.1	171.4	-160.8	80.4	0	0	0	110.9	V601 W611 S629 I630 F635 Q636 A637	V601-L633 HydrophobicContact CG1-CD2 4.14Å; W611-L633 HydrophobicContact CH2-CB 4.09Å; W611-L633 HydrophobicContact CH2-CD2 3.53Å; W611-L633 HydrophobicContact CH2-CG 3.79Å; W611-L633 HydrophobicContact CZ3-CB 3.98Å; W611-L633 HydrophobicContact CZ3-CD2 3.77Å; W611-L633 HydrophobicContact CZ3-CG 4.13Å; S629-L633 PolarHBondContact O-N 3.35Å; I630-L633 WeakPolarHBondContact O-CB 3.2Å; I630-L633 PolarHBondContact O-N 3.41Å; L633-F635 VanDerWaalsContact C-N 3.34Å; L633-F635 PolarHBondContact O-N 2.83Å; L633-Q636 WeakPolarHBondContact O-CB 3.49Å; L633-Q636 PolarHBondContact O-N 3.28Å; L633-A637 PolarHBondContact O-N 3.01Å
634	A	84.7	Confident	81.3	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64.8	-35.4	175.9	0	0	0	0	0	112.4	W611 I630 L631 A632 A637 N638 I644	W611-A634 HydrophobicContact CB-CB 4.08Å; W611-A634 HydrophobicContact CD2-CB 3.69Å; W611-A634 HydrophobicContact CE3-CB 3.6Å; W611-A634 HydrophobicContact CG-CB 3.94Å; W611-A634 HydrophobicContact CZ3-CB 4.1Å; I630-A634 WeakPolarHBondContact O-CB 3.16Å; I630-A634 PolarHBondContact O-N 3.06Å; L631-A634 CarbonylContact O-C 3.59Å; L631-A634 WeakPolarHBondContact O-CB 3.35Å; L631-A634 PolarHBondContact O-N 3.27Å; A632-A634 VanDerWaalsContact C-N 3.28Å; A632-A634 PolarHBondContact O-N 2.81Å; A634-A637 PolarHBondContact O-N 3.32Å; A634-N638 PolarHBondContact O-N 2.84Å; A634-I644 HydrophobicContact CB-CD1 4.15Å; A634-I644 HydrophobicContact CB-CG2 4.08Å
635	F	81.6	Confident	81.3	Confident	44 Å²	44	49.9 Å²	49.9	19%	0.193	28%	0.281	C	S	.	.	H	α-helix	trans	-67.2	-34.8	173.2	-71.5	-49.4	0	0	0	112.9	L631 A632 L633 N638 I644 W645 A648	L631-F635 WeakPolarHBondContact O-CD2 3.44Å; L631-F635 WeakPolarHBondContact O-CG 3.35Å; L631-F635 PolarHBondContact O-N 3.41Å; A632-F635 PolarHBondContact O-N 2.84Å; L633-F635 VanDerWaalsContact C-N 3.34Å; L633-F635 PolarHBondContact O-N 2.83Å; F635-N638 CarbonylContact O-C 3.29Å; F635-I644 HydrophobicContact CD1-CG2 3.93Å; F635-I644 HydrophobicContact CE1-CB 4.36Å; F635-I644 HydrophobicContact CE1-CG2 3.66Å; F635-I644 HydrophobicContact CZ-CG2 4.18Å; F635-W645 HydrophobicContact CD1-CD2 4.31Å; F635-W645 AromaticContact CD1-CE2 3.99Å; F635-W645 HydrophobicContact CD1-CH2 4.34Å; F635-W645 HydrophobicContact CD1-CZ2 4.02Å; F635-W645 AromaticContact CE1-CD2 3.45Å; F635-W645 HydrophobicContact CE1-CD2 3.45Å; F635-W645 VanDerWaalsContact CE1-CD2 3.45Å; F635-W645 AromaticContact CE1-CE2 3.59Å; F635-W645 AromaticContact CE1-CE3 3.65Å; F635-W645 HydrophobicContact CE1-CE3 3.65Å; F635-W645 AromaticContact CE1-CG 3.92Å; F635-W645 HydrophobicContact CE1-CG 3.92Å; F635-W645 HydrophobicContact CE1-CH2 4.07Å; F635-W645 AromaticContact CE1-CZ2 3.91Å; F635-W645 HydrophobicContact CE1-CZ2 3.91Å; F635-W645 AromaticContact CE1-CZ3 3.96Å; F635-W645 HydrophobicContact CE1-CZ3 3.96Å; F635-W645 HydrophobicContact CE2-CZ3 4.44Å; F635-W645 AromaticContact CZ-CD2 3.95Å; F635-W645 HydrophobicContact CZ-CD2 3.95Å; F635-W645 AromaticContact CZ-CE3 3.65Å; F635-W645 HydrophobicContact CZ-CE3 3.65Å; F635-W645 HydrophobicContact CZ-CH2 4.29Å; F635-W645 AromaticContact CZ-CZ3 3.84Å; F635-W645 HydrophobicContact CZ-CZ3 3.84Å; F635-A648 HydrophobicContact CE2-CB 4.12Å; F635-A648 HydrophobicContact CZ-CB 3.71Å
636	Q	82.6	Confident	81.2	Confident	156 Å²	156	46.6 Å²	46.6	73%	0.729	26%	0.258	S	S	*	.	H	α-helix	trans	-67.3	-40.2	173.5	-67.9	-179.9	-6.2	0	0	111.3	A632 L633	A632-Q636 PolarHBondContact O-N 3.09Å; A632-Q636 VanDerWaalsContact O-N 3.16Å; L633-Q636 WeakPolarHBondContact O-CB 3.49Å; L633-Q636 PolarHBondContact O-N 3.28Å
637	A	80.5	Confident	81.2	Confident	41 Å²	41	46.5 Å²	46.5	34%	0.339	26%	0.258	S	S	.	.	H	α-helix	trans	-73.4	-38.8	179.3	0	0	0	0	0	112.9	P605 W611 L633 A634	P605-A637 HydrophobicContact CB-CB 4.42Å; W611-A637 HydrophobicContact CZ2-CB 3.86Å; L633-A637 PolarHBondContact O-N 3.01Å; A634-A637 PolarHBondContact O-N 3.32Å
638	N	80.3	Confident	81.1	Confident	18 Å²	18	46.8 Å²	46.8	10%	0.096	26%	0.26	C	S	.	.			trans	-135.5	88	-174.9	-58.1	-57.2	0	0	0	111.5	P605 A634 F635 N640 S641 I644	P605-N638 PolarHBondContact O-ND2 3.17Å; A634-N638 PolarHBondContact O-N 2.84Å; F635-N638 CarbonylContact O-C 3.29Å; N638-N640 VanDerWaalsContact C-N 3.3Å; N638-N640 PolarHBondContact O-N 2.91Å; N638-S641 WeakPolarHBondContact CB-OG 3.44Å; N638-I644 HydrophobicContact CB-CD1 3.95Å
639	P	73.3	Confident	81.1	Confident	74 Å²	74	44.2 Å²	44.2	48%	0.481	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-25.4	-177.7	-23.5	35.1	0	0	0	114.6
640	N	71.2	Confident	80.9	Confident	126 Å²	126	44.3 Å²	44.3	67%	0.674	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-0.9	-167.4	-61.4	-12.4	0	0	0	114.2	N638 E642	N638-N640 VanDerWaalsContact C-N 3.3Å; N638-N640 PolarHBondContact O-N 2.91Å; N640-E642 PolarHBondContact O-N 3.13Å
641	S	71.5	Confident	80.9	Confident	10 Å²	10	42.9 Å²	42.9	7%	0.07	23%	0.234	C	C	.	.			trans	-84.2	112.7	-167.6	-58.5	0	0	0	0	113	E608 N638 E643 I644 W645	E608-S641 VanDerWaalsContact CD-CB 3.45Å; E608-S641 VanDerWaalsContact OE1-CB 3.29Å; E608-S641 WeakPolarHBondContact OE1-CB 2.9Å; E608-S641 PolarHBondContact OE1-OG 3.46Å; N638-S641 WeakPolarHBondContact CB-OG 3.44Å; S641-E643 VanDerWaalsContact C-N 3.32Å; S641-E643 PolarHBondContact O-N 2.98Å; S641-I644 PolarHBondContact O-N 3.22Å; S641-W645 PolarHBondContact O-N 2.86Å
642	E	75.4	Confident	80.9	Confident	65 Å²	65	43 Å²	43	30%	0.304	23%	0.234	S	C	.	.	H	α-helix	trans	-58.2	-39.1	179.3	-59.2	176.2	-166.5	0	0	113.3	N640 I644 W645 L646 A672 T674	N640-E642 PolarHBondContact O-N 3.13Å; E642-I644 VanDerWaalsContact C-N 3.32Å; E642-I644 PolarHBondContact O-N 3.37Å; E642-W645 PolarHBondContact O-N 3.38Å; E642-L646 VanDerWaalsContact O-CG 3.29Å; E642-L646 WeakPolarHBondContact O-CG 3.24Å; E642-L646 PolarHBondContact O-N 3Å; E642-A672 HydrophobicContact CG-CB 4.31Å; E642-T674 VanDerWaalsContact CD-CB 3.47Å; E642-T674 WeakPolarHBondContact OE1-CB 3.38Å; E642-T674 PolarHBondContact OE1-OG1 3.34Å; E642-T674 WeakPolarHBondContact OE2-CB 3.36Å; E642-T674 WeakPolarHBondContact OE2-CG2 3.24Å
643	E	81.1	Confident	80.7	Confident	72 Å²	72	41.8 Å²	41.8	34%	0.336	22%	0.223	S	C	.	.	H	α-helix	trans	-68.6	-33.1	-174.1	-55.2	-156.9	137.4	0	0	112.5	L612 S641 L646 A647 R676	L612-E643 HydrophobicContact CD1-CB 3.85Å; S641-E643 VanDerWaalsContact C-N 3.32Å; S641-E643 PolarHBondContact O-N 2.98Å; E643-L646 PolarHBondContact O-N 3.14Å; E643-A647 VanDerWaalsContact O-CB 3.32Å; E643-A647 WeakPolarHBondContact O-CB 3.47Å; E643-A647 PolarHBondContact O-N 3.23Å; E643-R676 IonicContact OE1-NH1 3.28Å
644	I	83.1	Confident	80.4	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-69.5	-45.1	177.3	-56.9	179.4	0	0	0	109.8	E608 L631 A634 F635 N638 S641 E642 L646 A647 A648	E608-I644 HydrophobicContact CG-CD1 4.36Å; L631-I644 HydrophobicContact CD2-CG2 3.96Å; A634-I644 HydrophobicContact CB-CD1 4.15Å; A634-I644 HydrophobicContact CB-CG2 4.08Å; F635-I644 HydrophobicContact CD1-CG2 3.93Å; F635-I644 HydrophobicContact CE1-CB 4.36Å; F635-I644 HydrophobicContact CE1-CG2 3.66Å; F635-I644 HydrophobicContact CZ-CG2 4.18Å; N638-I644 HydrophobicContact CB-CD1 3.95Å; S641-I644 PolarHBondContact O-N 3.22Å; E642-I644 VanDerWaalsContact C-N 3.32Å; E642-I644 PolarHBondContact O-N 3.37Å; I644-L646 VanDerWaalsContact C-N 3.33Å; I644-L646 PolarHBondContact O-N 3.22Å; I644-A647 PolarHBondContact O-N 3.23Å; I644-A648 WeakPolarHBondContact O-CB 3.21Å; I644-A648 PolarHBondContact O-N 2.93Å
645	W	82.8	Confident	80.3	Confident	14 Å²	14	42.7 Å²	42.7	5%	0.053	23%	0.227	C	C	.	.	H	α-helix	trans	-56.9	-47.5	173.5	-75.9	109.8	0	0	0	111.5	F635 S641 E642 A647 A648 V649 L664 K667 A668	F635-W645 HydrophobicContact CD1-CD2 4.31Å; F635-W645 AromaticContact CD1-CE2 3.99Å; F635-W645 HydrophobicContact CD1-CH2 4.34Å; F635-W645 HydrophobicContact CD1-CZ2 4.02Å; F635-W645 AromaticContact CE1-CD2 3.45Å; F635-W645 HydrophobicContact CE1-CD2 3.45Å; F635-W645 VanDerWaalsContact CE1-CD2 3.45Å; F635-W645 AromaticContact CE1-CE2 3.59Å; F635-W645 AromaticContact CE1-CE3 3.65Å; F635-W645 HydrophobicContact CE1-CE3 3.65Å; F635-W645 AromaticContact CE1-CG 3.92Å; F635-W645 HydrophobicContact CE1-CG 3.92Å; F635-W645 HydrophobicContact CE1-CH2 4.07Å; F635-W645 AromaticContact CE1-CZ2 3.91Å; F635-W645 HydrophobicContact CE1-CZ2 3.91Å; F635-W645 AromaticContact CE1-CZ3 3.96Å; F635-W645 HydrophobicContact CE1-CZ3 3.96Å; F635-W645 HydrophobicContact CE2-CZ3 4.44Å; F635-W645 AromaticContact CZ-CD2 3.95Å; F635-W645 HydrophobicContact CZ-CD2 3.95Å; F635-W645 AromaticContact CZ-CE3 3.65Å; F635-W645 HydrophobicContact CZ-CE3 3.65Å; F635-W645 HydrophobicContact CZ-CH2 4.29Å; F635-W645 AromaticContact CZ-CZ3 3.84Å; F635-W645 HydrophobicContact CZ-CZ3 3.84Å; S641-W645 PolarHBondContact O-N 2.86Å; E642-W645 PolarHBondContact O-N 3.38Å; W645-A647 VanDerWaalsContact C-N 3.31Å; W645-A647 PolarHBondContact O-N 3.48Å; W645-A648 PolarHBondContact O-N 2.95Å; W645-V649 VanDerWaalsContact O-CG2 3.22Å; W645-V649 WeakPolarHBondContact O-CG2 3.35Å; W645-V649 PolarHBondContact O-N 3.37Å; W645-L664 HydrophobicContact CZ3-CD2 3.83Å; W645-K667 HydrophobicContact CH2-CB 4.34Å; W645-K667 HydrophobicContact CH2-CD 3.91Å; W645-K667 HydrophobicContact CH2-CG 3.91Å; W645-K667 HydrophobicContact CZ3-CB 4.38Å; W645-K667 HydrophobicContact CZ3-CG 4.44Å; W645-A668 HydrophobicContact CB-CB 4.02Å; W645-A668 HydrophobicContact CD2-CB 3.96Å; W645-A668 HydrophobicContact CE3-CB 4.02Å; W645-A668 HydrophobicContact CG-CB 3.96Å
646	L	83.2	Confident	80.1	Confident	14 Å²	14	46 Å²	46	7%	0.073	25%	0.246	C	C	.	.	H	α-helix	trans	-65.9	-32.9	178.9	-67.8	-179.3	0	0	0	113.2	E642 E643 I644 K650 R676 V677 K680	E642-L646 VanDerWaalsContact O-CG 3.29Å; E642-L646 WeakPolarHBondContact O-CG 3.24Å; E642-L646 PolarHBondContact O-N 3Å; E643-L646 PolarHBondContact O-N 3.14Å; I644-L646 VanDerWaalsContact C-N 3.33Å; I644-L646 PolarHBondContact O-N 3.22Å; L646-K650 WeakPolarHBondContact O-CB 3.34Å; L646-K650 PolarHBondContact O-N 3.5Å; L646-R676 HydrophobicContact CD1-CB 4.42Å; L646-R676 HydrophobicContact CD1-CG 3.67Å; L646-V677 HydrophobicContact CD2-CG2 4.16Å; L646-V677 HydrophobicContact CG-CG2 4.45Å; L646-K680 HydrophobicContact CD2-CB 3.77Å; L646-K680 HydrophobicContact CD2-CG 3.64Å
647	A	81.9	Confident	80.2	Confident	25 Å²	25	43.4 Å²	43.4	21%	0.207	23%	0.234	C	C	.	.	H	α-helix	trans	-73.2	-39	176.1	0	0	0	0	0	112.5	L612 E643 I644 W645 V649 K650 L651	L612-A647 HydrophobicContact CD2-CB 3.18Å; E643-A647 VanDerWaalsContact O-CB 3.32Å; E643-A647 WeakPolarHBondContact O-CB 3.47Å; E643-A647 PolarHBondContact O-N 3.23Å; I644-A647 PolarHBondContact O-N 3.23Å; W645-A647 VanDerWaalsContact C-N 3.31Å; W645-A647 PolarHBondContact O-N 3.48Å; A647-V649 VanDerWaalsContact C-N 3.35Å; A647-K650 WeakPolarHBondContact O-CB 3.45Å; A647-K650 PolarHBondContact O-N 3.28Å; A647-L651 WeakPolarHBondContact O-CB 3.4Å; A647-L651 PolarHBondContact O-N 3.31Å
648	A	81.9	Confident	80.3	Confident	5 Å²	5	43.4 Å²	43.4	4%	0.041	23%	0.226	C	C	.	.	H	α-helix	trans	-61.3	-45.5	172.2	0	0	0	0	0	111	L631 F635 I644 W645 K650 L651 E652	L631-A648 HydrophobicContact CD1-CB 4.2Å; F635-A648 HydrophobicContact CE2-CB 4.12Å; F635-A648 HydrophobicContact CZ-CB 3.71Å; I644-A648 WeakPolarHBondContact O-CB 3.21Å; I644-A648 PolarHBondContact O-N 2.93Å; W645-A648 PolarHBondContact O-N 2.95Å; A648-K650 VanDerWaalsContact C-N 3.31Å; A648-K650 PolarHBondContact O-N 2.94Å; A648-L651 PolarHBondContact O-N 3.33Å; A648-E652 WeakPolarHBondContact O-CG 3.33Å; A648-E652 PolarHBondContact O-N 2.88Å
649	V	84.4	Confident	80.4	Confident	7 Å²	7	48.8 Å²	48.8	4%	0.042	25%	0.25	C	S	.	.	H	α-helix	trans	-62.6	-39.7	175.7	173.1	0	0	0	0	111.3	W645 A647 E652 S653 L664 L665 L684	W645-V649 VanDerWaalsContact O-CG2 3.22Å; W645-V649 WeakPolarHBondContact O-CG2 3.35Å; W645-V649 PolarHBondContact O-N 3.37Å; A647-V649 VanDerWaalsContact C-N 3.35Å; V649-E652 PolarHBondContact O-N 2.91Å; V649-S653 VanDerWaalsContact O-CB 3.22Å; V649-S653 WeakPolarHBondContact O-CB 3.49Å; V649-S653 PolarHBondContact O-N 3.38Å; V649-S653 PolarHBondContact O-OG 2.91Å; V649-S653 VanDerWaalsContact O-OG 3.1Å; V649-L664 HydrophobicContact CG2-CB 4.22Å; V649-L665 HydrophobicContact CB-CD2 4.42Å; V649-L665 HydrophobicContact CB-CG 4.33Å; V649-L665 HydrophobicContact CG1-CD1 3.64Å; V649-L665 HydrophobicContact CG1-CD2 4.08Å; V649-L665 HydrophobicContact CG1-CG 3.8Å; V649-L665 HydrophobicContact CG2-CD1 4.35Å; V649-L665 HydrophobicContact CG2-CD2 3.75Å; V649-L665 HydrophobicContact CG2-CG 3.57Å; V649-L684 HydrophobicContact CG1-CD1 4.45Å
650	K	84	Confident	80.8	Confident	83 Å²	83	51.5 Å²	51.5	36%	0.361	25%	0.251	S	S	.	.	H	α-helix	trans	-59.4	-50.5	174.9	-178.9	-176.5	171.8	-178.1	0	111	L646 A647 A648 E652 S653 E654	L646-K650 WeakPolarHBondContact O-CB 3.34Å; L646-K650 PolarHBondContact O-N 3.5Å; A647-K650 WeakPolarHBondContact O-CB 3.45Å; A647-K650 PolarHBondContact O-N 3.28Å; A648-K650 VanDerWaalsContact C-N 3.31Å; A648-K650 PolarHBondContact O-N 2.94Å; K650-E652 PolarHBondContact O-N 3.28Å; K650-S653 WeakPolarHBondContact CA-OG 3.31Å; K650-S653 PolarHBondContact O-N 3.22Å; K650-S653 PolarHBondContact O-OG 3.38Å; K650-E654 VanDerWaalsContact CE-CD 3.42Å; K650-E654 WeakPolarHBondContact CE-OE1 3.47Å; K650-E654 WeakPolarHBondContact CE-OE2 3.17Å; K650-E654 IonicContact NZ-OE1 3.32Å; K650-E654 WeakPolarHBondContact O-CG 3.45Å; K650-E654 PolarHBondContact O-N 2.91Å
651	L	82.8	Confident	81.4	Confident	8 Å²	8	45.5 Å²	45.5	4%	0.042	22%	0.219	C	C	.	.	H	α-helix	trans	-60.4	-43.9	-179.1	-178	149.4	0	0	0	111.8	W619 V624 A627 R628 L631 A647 A648 N655	W619-L651 HydrophobicContact CB-CD1 4.37Å; W619-L651 HydrophobicContact CG-CD1 4.42Å; V624-L651 HydrophobicContact CG1-CD2 3.81Å; A627-L651 HydrophobicContact CB-CD1 3.63Å; R628-L651 HydrophobicContact CG-CD2 3.75Å; L631-L651 HydrophobicContact CD1-CD1 4.09Å; A647-L651 WeakPolarHBondContact O-CB 3.4Å; A647-L651 PolarHBondContact O-N 3.31Å; A648-L651 PolarHBondContact O-N 3.33Å; L651-N655 PolarHBondContact O-ND2 3.35Å
652	E	83	Confident	82	Confident	7 Å²	7	48.6 Å²	48.6	3%	0.033	23%	0.229	C	C	.	.	H	α-helix	trans	-70.8	-35.6	177.6	-61.1	-60.4	174.4	0	0	112.1	R628 A648 V649 K650 E654 N655 E657 R660 A661 L664	R628-E652 WeakPolarHBondContact CD-OE1 3.43Å; R628-E652 IonicContact CZ-OE1 2.64Å; R628-E652 IonicContact CZ-OE2 3.76Å; R628-E652 IonicContact NE-OE1 3.58Å; R628-E652 PolarHBondContact NE-OE1 2.99Å; R628-E652 IonicContact NE-OE2 2.81Å; R628-E652 PolarHBondContact NE-OE2 3.47Å; R628-E652 IonicContact NH2-OE1 3.79Å; R628-E652 IonicContact NH2-OE2 3.87Å; R628-E652 PolarHBondContact NH2-OE2 2.77Å; A648-E652 WeakPolarHBondContact O-CG 3.33Å; A648-E652 PolarHBondContact O-N 2.88Å; V649-E652 PolarHBondContact O-N 2.91Å; K650-E652 PolarHBondContact O-N 3.28Å; E652-E654 VanDerWaalsContact C-N 3.28Å; E652-E654 PolarHBondContact O-N 2.83Å; E652-N655 PolarHBondContact O-N 2.8Å; E652-E657 PolarHBondContact O-N 3.44Å; E652-R660 IonicContact OE1-NE 3.63Å; E652-A661 HydrophobicContact CB-CB 3.91Å; E652-L664 HydrophobicContact CG-CD1 3.92Å
653	S	81	Confident	82.5	Confident	25 Å²	25	54.3 Å²	54.3	18%	0.175	25%	0.248	C	C	.	.	H	α-helix	trans	-68.5	-23.5	177.6	68.8	0	0	0	0	114.3	V649 K650 Y658	V649-S653 VanDerWaalsContact O-CB 3.22Å; V649-S653 WeakPolarHBondContact O-CB 3.49Å; V649-S653 PolarHBondContact O-N 3.38Å; V649-S653 PolarHBondContact O-OG 2.91Å; V649-S653 VanDerWaalsContact O-OG 3.1Å; K650-S653 WeakPolarHBondContact CA-OG 3.31Å; K650-S653 PolarHBondContact O-N 3.22Å; K650-S653 PolarHBondContact O-OG 3.38Å; S653-Y658 WeakPolarHBondContact O-CE1 3.46Å
654	E	79.1	Confident	82.6	Confident	53 Å²	53	52.5 Å²	52.5	25%	0.248	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-9.6	178.4	-73	167.8	149	0	0	112.8	W619 K650 E652	W619-E654 WeakPolarHBondContact CH2-OE1 3.3Å; W619-E654 WeakPolarHBondContact CH2-OE2 3.45Å; W619-E654 HydrophobicContact CZ2-CB 4.12Å; W619-E654 HydrophobicContact CZ2-CG 4.27Å; W619-E654 WeakPolarHBondContact CZ2-OE2 3.47Å; K650-E654 VanDerWaalsContact CE-CD 3.42Å; K650-E654 WeakPolarHBondContact CE-OE1 3.47Å; K650-E654 WeakPolarHBondContact CE-OE2 3.17Å; K650-E654 IonicContact NZ-OE1 3.32Å; K650-E654 WeakPolarHBondContact O-CG 3.45Å; K650-E654 PolarHBondContact O-N 2.91Å; E652-E654 VanDerWaalsContact C-N 3.28Å; E652-E654 PolarHBondContact O-N 2.83Å
655	N	81.3	Confident	82.5	Confident	50 Å²	50	52.6 Å²	52.6	27%	0.267	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	19.6	177.7	-62	-46.6	0	0	0	112.2	V624 L651 E652 E657	V624-N655 WeakPolarHBondContact CG1-ND2 3.33Å; L651-N655 PolarHBondContact O-ND2 3.35Å; E652-N655 PolarHBondContact O-N 2.8Å; N655-E657 PolarHBondContact O-N 3.13Å
656	D	78.6	Confident	82.6	Confident	112 Å²	112	54.7 Å²	54.7	60%	0.599	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	8.5	178.6	-55.9	-35.4	0	0	0	116.3	Y658	D656-Y658 HydrophobicContact CB-CE2 4.07Å; D656-Y658 VanDerWaalsContact O-CD2 3.24Å; D656-Y658 WeakPolarHBondContact O-CD2 3.23Å; D656-Y658 PolarHBondContact O-N 2.94Å; D656-Y658 PolarHBondContact OD1-OH 2.82Å
657	E	84.2	Confident	82.6	Confident	103 Å²	103	60.2 Å²	60.2	48%	0.481	28%	0.284	S	S	.	.			trans	-84.9	58.4	177.3	-71.9	-66.6	171.4	0	0	111.8	E652 N655 E659 R660 A661	E652-E657 PolarHBondContact O-N 3.44Å; N655-E657 PolarHBondContact O-N 3.13Å; E657-E659 PolarHBondContact O-N 3.29Å; E657-R660 PolarHBondContact O-N 3.41Å; E657-A661 PolarHBondContact O-N 2.69Å
658	Y	81.4	Confident	82.6	Confident	40 Å²	40	59 Å²	59	16%	0.157	28%	0.275	C	S	.	.	H	α-helix	trans	-66.9	-32.4	-170.4	-67.2	-62.2	0	0	0	114.5	S653 D656 R660 A661 R662 Q688 Q923	S653-Y658 WeakPolarHBondContact O-CE1 3.46Å; D656-Y658 HydrophobicContact CB-CE2 4.07Å; D656-Y658 VanDerWaalsContact O-CD2 3.24Å; D656-Y658 WeakPolarHBondContact O-CD2 3.23Å; D656-Y658 PolarHBondContact O-N 2.94Å; D656-Y658 PolarHBondContact OD1-OH 2.82Å; Y658-R660 VanDerWaalsContact C-N 3.35Å; Y658-A661 WeakPolarHBondContact O-CB 3.41Å; Y658-A661 PolarHBondContact O-N 3.25Å; Y658-R662 WeakPolarHBondContact O-CG 3.43Å; Y658-R662 PolarHBondContact O-N 3.03Å; Y658-Q688 HydrophobicContact CD2-CG 4.47Å; Y658-Q688 HydrophobicContact CG-CG 4.32Å; Y658-Q923 PolarHBondContact OH-OE1 3.39Å
659	E	83.3	Confident	82.5	Confident	131 Å²	131	62.1 Å²	62.1	61%	0.612	29%	0.285	S	S	*	.	H	α-helix	trans	-66.2	-39.5	178.9	-63.8	-173.2	173.9	0	0	111.9	E657 R662 R663	E657-E659 PolarHBondContact O-N 3.29Å; E659-R662 WeakPolarHBondContact O-CB 2.72Å; E659-R662 PolarHBondContact O-N 3.35Å; E659-R663 PolarHBondContact O-N 3.03Å; E659-R663 VanDerWaalsContact O-N 3.1Å
660	R	82.3	Confident	82.4	Confident	132 Å²	132	66.4 Å²	66.4	50%	0.498	32%	0.316	S	S	.	.	H	α-helix	trans	-67	-41.1	174.2	-169.8	176.8	-175.6	166	1.1	110.6	E652 E657 Y658 R662 R663 L664	E652-R660 IonicContact OE1-NE 3.63Å; E657-R660 PolarHBondContact O-N 3.41Å; Y658-R660 VanDerWaalsContact C-N 3.35Å; R660-R662 VanDerWaalsContact C-N 3.31Å; R660-R662 PolarHBondContact O-N 2.83Å; R660-R663 PolarHBondContact O-N 2.67Å; R660-L664 HydrophobicContact CG-CD1 4.31Å; R660-L664 WeakPolarHBondContact O-CB 3.29Å; R660-L664 WeakPolarHBondContact O-CG 3.46Å; R660-L664 PolarHBondContact O-N 2.86Å
661	A	83.4	Confident	82	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.2	-38.1	173.9	0	0	0	0	0	112.4	E652 E657 Y658 L664 L665 L684	E652-A661 HydrophobicContact CB-CB 3.91Å; E657-A661 PolarHBondContact O-N 2.69Å; Y658-A661 WeakPolarHBondContact O-CB 3.41Å; Y658-A661 PolarHBondContact O-N 3.25Å; A661-L664 PolarHBondContact O-N 3.48Å; A661-L665 WeakPolarHBondContact O-CB 3.23Å; A661-L665 WeakPolarHBondContact O-CG 3.48Å; A661-L665 PolarHBondContact O-N 3.31Å; A661-L684 HydrophobicContact CB-CD1 3.54Å
662	R	83.3	Confident	81.3	Confident	75 Å²	75	65.4 Å²	65.4	28%	0.283	32%	0.321	S	S	.	.	H	α-helix	trans	-61.4	-48.4	172.1	-75.3	178.9	172.6	133.5	5.1	112.3	Y658 E659 R660 L664 L665 A666 L684 E685 N690	Y658-R662 WeakPolarHBondContact O-CG 3.43Å; Y658-R662 PolarHBondContact O-N 3.03Å; E659-R662 WeakPolarHBondContact O-CB 2.72Å; E659-R662 PolarHBondContact O-N 3.35Å; R660-R662 VanDerWaalsContact C-N 3.31Å; R660-R662 PolarHBondContact O-N 2.83Å; R662-L664 VanDerWaalsContact C-N 3.31Å; R662-L664 PolarHBondContact O-N 2.99Å; R662-L665 PolarHBondContact O-N 2.87Å; R662-A666 WeakPolarHBondContact O-CB 3.44Å; R662-A666 PolarHBondContact O-N 3.38Å; R662-L684 HydrophobicContact CG-CD2 3.62Å; R662-E685 IonicContact CZ-OE1 2.93Å; R662-E685 IonicContact CZ-OE2 3.86Å; R662-E685 IonicContact NE-OE1 3.03Å; R662-E685 PolarHBondContact NE-OE1 2.88Å; R662-E685 IonicContact NE-OE2 3.39Å; R662-E685 IonicContact NH2-OE1 2.75Å; R662-E685 IonicContact NH2-OE2 3.67Å; R662-E685 PolarHBondContact NH2-OE2 3.27Å; R662-N690 PolarHBondContact NH2-ND2 3.39Å
663	R	85.6	Confident	80.7	Confident	185 Å²	185	67.9 Å²	67.9	70%	0.698	34%	0.337	S	S	*	.	H	α-helix	trans	-62.7	-40.2	178.8	-67.6	-179.2	-170.1	169.3	6.8	111.5	E659 R660 A666 K667	E659-R663 PolarHBondContact O-N 3.03Å; E659-R663 VanDerWaalsContact O-N 3.1Å; R660-R663 PolarHBondContact O-N 2.67Å; R663-A666 PolarHBondContact O-N 2.75Å; R663-K667 WeakPolarHBondContact O-CB 3.43Å; R663-K667 PolarHBondContact O-N 2.83Å
664	L	83.6	Confident	80.7	Confident	34 Å²	34	68.6 Å²	68.6	18%	0.178	34%	0.341	C	S	.	.	H	α-helix	trans	-64	-42.1	174.4	-72.5	169.1	0	0	0	111.7	W645 V649 E652 R660 A661 R662 K667 A668	W645-L664 HydrophobicContact CZ3-CD2 3.83Å; V649-L664 HydrophobicContact CG2-CB 4.22Å; E652-L664 HydrophobicContact CG-CD1 3.92Å; R660-L664 HydrophobicContact CG-CD1 4.31Å; R660-L664 WeakPolarHBondContact O-CB 3.29Å; R660-L664 WeakPolarHBondContact O-CG 3.46Å; R660-L664 PolarHBondContact O-N 2.86Å; A661-L664 PolarHBondContact O-N 3.48Å; R662-L664 VanDerWaalsContact C-N 3.31Å; R662-L664 PolarHBondContact O-N 2.99Å; L664-K667 PolarHBondContact O-N 3.33Å; L664-A668 WeakPolarHBondContact O-CB 3.31Å; L664-A668 PolarHBondContact O-N 2.94Å
665	L	82.3	Confident	80.6	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.01	33%	0.332	C	S	.	.	H	α-helix	trans	-67.4	-38.1	175.2	-82.4	167.6	0	0	0	112.9	V649 A661 R662 K667 A668 R669 V677 L684	V649-L665 HydrophobicContact CB-CD2 4.42Å; V649-L665 HydrophobicContact CB-CG 4.33Å; V649-L665 HydrophobicContact CG1-CD1 3.64Å; V649-L665 HydrophobicContact CG1-CD2 4.08Å; V649-L665 HydrophobicContact CG1-CG 3.8Å; V649-L665 HydrophobicContact CG2-CD1 4.35Å; V649-L665 HydrophobicContact CG2-CD2 3.75Å; V649-L665 HydrophobicContact CG2-CG 3.57Å; A661-L665 WeakPolarHBondContact O-CB 3.23Å; A661-L665 WeakPolarHBondContact O-CG 3.48Å; A661-L665 PolarHBondContact O-N 3.31Å; R662-L665 PolarHBondContact O-N 2.87Å; L665-K667 VanDerWaalsContact C-N 3.3Å; L665-K667 PolarHBondContact O-N 3.09Å; L665-A668 PolarHBondContact O-N 3.06Å; L665-R669 VanDerWaalsContact O-CG 3.32Å; L665-R669 WeakPolarHBondContact O-CG 3.45Å; L665-R669 PolarHBondContact O-N 3.08Å; L665-V677 HydrophobicContact CD2-CG1 4.05Å; L665-L684 HydrophobicContact CD1-CB 4.05Å; L665-L684 HydrophobicContact CD1-CD1 3.67Å; L665-L684 HydrophobicContact CD1-CG 4.42Å
666	A	84	Confident	80.7	Confident	58 Å²	58	69.5 Å²	69.5	48%	0.479	34%	0.34	S	S	.	.	H	α-helix	trans	-61.9	-41.3	174.5	0	0	0	0	0	111	R662 R663 R669 S670	R662-A666 WeakPolarHBondContact O-CB 3.44Å; R662-A666 PolarHBondContact O-N 3.38Å; R663-A666 PolarHBondContact O-N 2.75Å; A666-R669 PolarHBondContact O-N 3.5Å; A666-S670 PolarHBondContact O-N 3.19Å
667	K	83.1	Confident	81	Confident	129 Å²	129	64.2 Å²	64.2	56%	0.561	31%	0.312	S	S	*	.	H	α-helix	trans	-68.5	-36.4	173.3	-167.5	167.2	-178.7	176.5	0	112.5	W645 R663 L664 L665 S670 S671	W645-K667 HydrophobicContact CH2-CB 4.34Å; W645-K667 HydrophobicContact CH2-CD 3.91Å; W645-K667 HydrophobicContact CH2-CG 3.91Å; W645-K667 HydrophobicContact CZ3-CB 4.38Å; W645-K667 HydrophobicContact CZ3-CG 4.44Å; R663-K667 WeakPolarHBondContact O-CB 3.43Å; R663-K667 PolarHBondContact O-N 2.83Å; L664-K667 PolarHBondContact O-N 3.33Å; L665-K667 VanDerWaalsContact C-N 3.3Å; L665-K667 PolarHBondContact O-N 3.09Å; K667-S670 PolarHBondContact O-N 3.09Å; K667-S670 PolarHBondContact O-OG 3.39Å; K667-S671 WeakPolarHBondContact O-CB 3.46Å; K667-S671 PolarHBondContact O-N 3.29Å
668	A	82.1	Confident	80.9	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-66.3	-37.8	174.4	0	0	0	0	0	111.7	W645 L664 L665 S670 S671 A672 V677	W645-A668 HydrophobicContact CB-CB 4.02Å; W645-A668 HydrophobicContact CD2-CB 3.96Å; W645-A668 HydrophobicContact CE3-CB 4.02Å; W645-A668 HydrophobicContact CG-CB 3.96Å; L664-A668 WeakPolarHBondContact O-CB 3.31Å; L664-A668 PolarHBondContact O-N 2.94Å; L665-A668 PolarHBondContact O-N 3.06Å; A668-S670 VanDerWaalsContact C-N 3.3Å; A668-S670 PolarHBondContact O-N 3.44Å; A668-S671 PolarHBondContact O-N 2.97Å; A668-A672 CarbonylContact O-C 3.47Å; A668-A672 PolarHBondContact O-N 3.25Å; A668-V677 HydrophobicContact CB-CG1 3.7Å
669	R	79.6	Confident	81.2	Confident	69 Å²	69	58.9 Å²	58.9	26%	0.26	29%	0.288	S	S	.	.	H	α-helix	trans	-62	-34.6	175.1	-76	174.5	66.6	-178.8	5.5	112.6	L665 A666 P673 V677 F678 E700	L665-R669 VanDerWaalsContact O-CG 3.32Å; L665-R669 WeakPolarHBondContact O-CG 3.45Å; L665-R669 PolarHBondContact O-N 3.08Å; A666-R669 PolarHBondContact O-N 3.5Å; R669-P673 WeakPolarHBondContact O-CB 3.36Å; R669-V677 HydrophobicContact CG-CG1 4.49Å; R669-F678 HydrophobicContact CG-CE1 4.29Å; R669-F678 HydrophobicContact CG-CE2 4.49Å; R669-F678 HydrophobicContact CG-CZ 4.23Å; R669-F678 VanDerWaalsContact NE-CE1 3.34Å; R669-E700 IonicContact CZ-OE2 2.74Å; R669-E700 IonicContact NH2-OE2 3.19Å; R669-E700 PolarHBondContact NH2-OE2 3.19Å
670	S	81.7	Confident	81.3	Confident	98 Å²	98	55.4 Å²	55.4	69%	0.685	27%	0.271	S	S	*	.	H	α-helix	trans	-84.9	-35.2	177.3	62.9	0	0	0	0	113.2	A666 K667 A668	A666-S670 PolarHBondContact O-N 3.19Å; K667-S670 PolarHBondContact O-N 3.09Å; K667-S670 PolarHBondContact O-OG 3.39Å; A668-S670 VanDerWaalsContact C-N 3.3Å; A668-S670 PolarHBondContact O-N 3.44Å
671	S	76.4	Confident	81.3	Confident	56 Å²	56	49.6 Å²	49.6	39%	0.392	25%	0.251	S	S	.	.	H	α-helix	trans	-82.2	-41.5	-175.1	-166.2	0	0	0	0	113.4	K667 A668	K667-S671 WeakPolarHBondContact O-CB 3.46Å; K667-S671 PolarHBondContact O-N 3.29Å; A668-S671 PolarHBondContact O-N 2.97Å
672	A	67.7	Low	81.4	Confident	13 Å²	13	49.6 Å²	49.6	11%	0.107	25%	0.251	C	S	.	.	S	Bend	trans	-146.8	74.3	-178.5	0	0	0	0	0	109.7	E642 A668 T674	E642-A672 HydrophobicContact CG-CB 4.31Å; A668-A672 CarbonylContact O-C 3.47Å; A668-A672 PolarHBondContact O-N 3.25Å; A672-T674 PolarHBondContact O-N 2.84Å
673	P	71.2	Confident	81.5	Confident	59 Å²	59	46.9 Å²	46.9	38%	0.383	24%	0.241	S	C	.	.			trans	-66.6	106.8	176.2	25.7	-30.6	0	0	0	109.2	R669 F678 Y705	R669-P673 WeakPolarHBondContact O-CB 3.36Å; P673-F678 HydrophobicContact CB-CE2 4.04Å; P673-Y705 PolarHBondContact O-OH 3.01Å
674	T	80.1	Confident	81.3	Confident	40 Å²	40	38.4 Å²	38.4	25%	0.245	21%	0.21	C	C	.	.			trans	-129.6	146.3	168.9	-60.7	0	0	0	0	109	E642 A672 R676 V677 F678	E642-T674 VanDerWaalsContact CD-CB 3.47Å; E642-T674 WeakPolarHBondContact OE1-CB 3.38Å; E642-T674 PolarHBondContact OE1-OG1 3.34Å; E642-T674 WeakPolarHBondContact OE2-CB 3.36Å; E642-T674 WeakPolarHBondContact OE2-CG2 3.24Å; A672-T674 PolarHBondContact O-N 2.84Å; T674-R676 HydrophobicContact CG2-CB 4.43Å; T674-R676 PolarHBondContact O-N 3.3Å; T674-V677 WeakPolarHBondContact O-CA 3.38Å; T674-V677 WeakPolarHBondContact O-CB 3.41Å; T674-V677 PolarHBondContact O-N 3.47Å; T674-F678 PolarHBondContact O-N 3.47Å
675	A	78.5	Confident	81.4	Confident	8 Å²	8	37.7 Å²	37.7	7%	0.066	21%	0.205	C	C	.	.	H	α-helix	trans	-50.4	-30.3	-179.7	0	0	0	0	0	113.1	M679 Y705 F708 L711	A675-M679 VanDerWaalsContact O-CB 3.25Å; A675-M679 WeakPolarHBondContact O-CB 3.17Å; A675-M679 PolarHBondContact O-N 2.94Å; A675-Y705 HydrophobicContact CB-CD1 3.99Å; A675-Y705 HydrophobicContact CB-CD2 4.17Å; A675-Y705 HydrophobicContact CB-CG 3.74Å; A675-F708 HydrophobicContact CB-CB 3.95Å; A675-F708 HydrophobicContact CB-CD1 3.99Å; A675-F708 HydrophobicContact CB-CD2 4.15Å; A675-F708 HydrophobicContact CB-CE1 4.4Å; A675-F708 HydrophobicContact CB-CG 3.79Å; A675-L711 WeakPolarHBondContact O-CD1 3.15Å
676	R	82.4	Confident	81.5	Confident	115 Å²	115	37.9 Å²	37.9	43%	0.434	21%	0.206	S	C	.	.	H	α-helix	trans	-70.6	-32.8	176.5	-166	-179.7	169.9	-178	-7.4	113.6	E643 L646 T674 M679 K680	E643-R676 IonicContact OE1-NH1 3.28Å; L646-R676 HydrophobicContact CD1-CB 4.42Å; L646-R676 HydrophobicContact CD1-CG 3.67Å; T674-R676 HydrophobicContact CG2-CB 4.43Å; T674-R676 PolarHBondContact O-N 3.3Å; R676-M679 WeakPolarHBondContact O-CB 3.14Å; R676-K680 WeakPolarHBondContact O-CG 3.09Å; R676-K680 PolarHBondContact O-N 2.92Å
677	V	85.1	Confident	81.4	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.006	19%	0.192	C	C	.	.	H	α-helix	trans	-70.2	-46.7	173.2	177.9	0	0	0	0	109.7	L646 L665 A668 R669 T674 M679 K680 S681	L646-V677 HydrophobicContact CD2-CG2 4.16Å; L646-V677 HydrophobicContact CG-CG2 4.45Å; L665-V677 HydrophobicContact CD2-CG1 4.05Å; A668-V677 HydrophobicContact CB-CG1 3.7Å; R669-V677 HydrophobicContact CG-CG1 4.49Å; T674-V677 WeakPolarHBondContact O-CA 3.38Å; T674-V677 WeakPolarHBondContact O-CB 3.41Å; T674-V677 PolarHBondContact O-N 3.47Å; V677-M679 PolarHBondContact O-N 3.25Å; V677-K680 PolarHBondContact O-N 3.03Å; V677-K680 VanDerWaalsContact O-N 3.07Å; V677-S681 PolarHBondContact O-N 3.36Å
678	F	82.9	Confident	81.3	Confident	9 Å²	9	32.7 Å²	32.7	4%	0.039	18%	0.176	C	C	.	.	H	α-helix	trans	-59.5	-44.5	174.2	-82.6	-85.8	0	0	0	112.4	R669 P673 T674 K680 S681 V682 A701 Y705	R669-F678 HydrophobicContact CG-CE1 4.29Å; R669-F678 HydrophobicContact CG-CE2 4.49Å; R669-F678 HydrophobicContact CG-CZ 4.23Å; R669-F678 VanDerWaalsContact NE-CE1 3.34Å; P673-F678 HydrophobicContact CB-CE2 4.04Å; T674-F678 PolarHBondContact O-N 3.47Å; F678-K680 PolarHBondContact O-N 2.79Å; F678-S681 WeakPolarHBondContact O-CB 3.27Å; F678-S681 PolarHBondContact O-N 2.87Å; F678-S681 VanDerWaalsContact O-N 3.11Å; F678-V682 WeakPolarHBondContact O-CG2 3.1Å; F678-V682 PolarHBondContact O-N 2.87Å; F678-A701 HydrophobicContact CB-CB 3.65Å; F678-A701 HydrophobicContact CD1-CB 3.57Å; F678-A701 HydrophobicContact CE1-CB 4.42Å; F678-A701 HydrophobicContact CG-CB 3.82Å; F678-Y705 HydrophobicContact CD2-CD2 4.35Å; F678-Y705 AromaticContact CD2-CE2 3.99Å; F678-Y705 HydrophobicContact CD2-CE2 3.99Å; F678-Y705 AromaticContact CE2-CE2 3.98Å; F678-Y705 HydrophobicContact CE2-CE2 3.98Å
679	M	86.6	Confident	81.1	Confident	22 Å²	22	38.5 Å²	38.5	11%	0.108	21%	0.207	C	C	.	.	H	α-helix	trans	-52.1	-40.6	173.2	178.2	-162.9	159.5	0	0	112.1	A675 R676 V677 K683 F708 K710 L711 M714	A675-M679 VanDerWaalsContact O-CB 3.25Å; A675-M679 WeakPolarHBondContact O-CB 3.17Å; A675-M679 PolarHBondContact O-N 2.94Å; R676-M679 WeakPolarHBondContact O-CB 3.14Å; V677-M679 PolarHBondContact O-N 3.25Å; M679-K683 HydrophobicContact CE-CD 4.2Å; M679-K683 WeakPolarHBondContact O-CG 3.32Å; M679-K683 PolarHBondContact O-N 3.37Å; M679-K683 VanDerWaalsContact O-N 3.09Å; M679-F708 HydrophobicContact SD-CE1 4.38Å; M679-K710 HydrophobicContact CE-CD 4.38Å; M679-K710 HydrophobicContact CE-CG 4Å; M679-K710 HydrophobicContact SD-CB 4.45Å; M679-K710 HydrophobicContact SD-CG 4.02Å; M679-L711 HydrophobicContact CB-CD1 3.71Å; M679-L711 HydrophobicContact CG-CD1 4.42Å; M679-M714 HydrophobicContact CB-CE 4.45Å; M679-M714 HydrophobicContact CB-SD 4.42Å; M679-M714 HydrophobicContact CE-CE 3.32Å; M679-M714 HydrophobicContact CG-CE 3.15Å; M679-M714 HydrophobicContact CG-SD 3.61Å; M679-M714 HydrophobicContact SD-CE 3.96Å
680	K	84.6	Confident	81.1	Confident	58 Å²	58	38.6 Å²	38.6	25%	0.252	21%	0.212	S	C	.	.	H	α-helix	trans	-78.1	-34	-179.6	-72.5	-77.6	-173.7	170.8	0	112.3	L646 R676 V677 F678 K683 L684	L646-K680 HydrophobicContact CD2-CB 3.77Å; L646-K680 HydrophobicContact CD2-CG 3.64Å; R676-K680 WeakPolarHBondContact O-CG 3.09Å; R676-K680 PolarHBondContact O-N 2.92Å; V677-K680 PolarHBondContact O-N 3.03Å; V677-K680 VanDerWaalsContact O-N 3.07Å; F678-K680 PolarHBondContact O-N 2.79Å; K680-K683 HydrophobicContact CD-CD 4.35Å; K680-K683 PolarHBondContact O-N 3.07Å; K680-L684 PolarHBondContact O-N 2.64Å
681	S	83.3	Confident	80.8	Confident	10 Å²	10	35.9 Å²	35.9	7%	0.07	19%	0.19	C	C	.	.	H	α-helix	trans	-60.7	-47.9	170.3	-165.8	0	0	0	0	111.6	V677 F678 K683 L684 E685	V677-S681 PolarHBondContact O-N 3.36Å; F678-S681 WeakPolarHBondContact O-CB 3.27Å; F678-S681 PolarHBondContact O-N 2.87Å; F678-S681 VanDerWaalsContact O-N 3.11Å; S681-K683 VanDerWaalsContact C-N 3.32Å; S681-K683 PolarHBondContact O-N 3.23Å; S681-L684 PolarHBondContact O-N 2.74Å; S681-L684 VanDerWaalsContact O-N 3.16Å; S681-E685 PolarHBondContact O-N 3.24Å
682	V	86.4	Confident	81.1	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.1	-47.9	174.3	167.7	0	0	0	0	110.3	F678 L684 E685 W686 L697 C698 M714 I718	F678-V682 WeakPolarHBondContact O-CG2 3.1Å; F678-V682 PolarHBondContact O-N 2.87Å; V682-L684 VanDerWaalsContact C-N 3.27Å; V682-L684 PolarHBondContact O-N 3.46Å; V682-E685 PolarHBondContact O-N 3.17Å; V682-W686 VanDerWaalsContact O-CB 3.24Å; V682-W686 WeakPolarHBondContact O-CB 3.48Å; V682-W686 PolarHBondContact O-N 3.46Å; V682-L697 HydrophobicContact CG2-CB 4.1Å; V682-C698 WeakPolarHBondContact CG1-SG 3.31Å; V682-C698 HydrophobicContact CG2-CB 4.3Å; V682-M714 HydrophobicContact CB-SD 4.39Å; V682-M714 HydrophobicContact CG1-CB 4.2Å; V682-M714 HydrophobicContact CG1-SD 4.02Å; V682-I718 HydrophobicContact CG1-CD1 3.8Å
683	K	83.4	Confident	81.8	Confident	17 Å²	17	44.2 Å²	44.2	7%	0.074	22%	0.218	C	C	.	.	H	α-helix	trans	-60.3	-34.5	177.7	-81.1	-179.1	156.3	-145.8	0	113.9	M679 K680 S681 W686 V687 M714 W922	M679-K683 HydrophobicContact CE-CD 4.2Å; M679-K683 WeakPolarHBondContact O-CG 3.32Å; M679-K683 PolarHBondContact O-N 3.37Å; M679-K683 VanDerWaalsContact O-N 3.09Å; K680-K683 HydrophobicContact CD-CD 4.35Å; K680-K683 PolarHBondContact O-N 3.07Å; S681-K683 VanDerWaalsContact C-N 3.32Å; S681-K683 PolarHBondContact O-N 3.23Å; K683-W686 PolarHBondContact O-N 3.4Å; K683-V687 PolarHBondContact O-N 3.44Å; K683-M714 HydrophobicContact CD-CE 3.69Å; K683-M714 HydrophobicContact CG-CE 3.67Å; K683-M714 HydrophobicContact CG-SD 4Å; K683-W922 VanDerWaalsContact NZ-CH2 3.26Å
684	L	83.3	Confident	82.3	Confident	8 Å²	8	41.4 Å²	41.4	4%	0.042	20%	0.2	C	C	.	.	H	α-helix	trans	-68.7	-45.1	-179.9	-176.4	151.6	0	0	0	111.3	V649 A661 R662 L665 K680 S681 V682 W686 V687 Q688	V649-L684 HydrophobicContact CG1-CD1 4.45Å; A661-L684 HydrophobicContact CB-CD1 3.54Å; R662-L684 HydrophobicContact CG-CD2 3.62Å; L665-L684 HydrophobicContact CD1-CB 4.05Å; L665-L684 HydrophobicContact CD1-CD1 3.67Å; L665-L684 HydrophobicContact CD1-CG 4.42Å; K680-L684 PolarHBondContact O-N 2.64Å; S681-L684 PolarHBondContact O-N 2.74Å; S681-L684 VanDerWaalsContact O-N 3.16Å; V682-L684 VanDerWaalsContact C-N 3.27Å; V682-L684 PolarHBondContact O-N 3.46Å; L684-W686 VanDerWaalsContact C-N 3.26Å; L684-W686 PolarHBondContact O-N 3.24Å; L684-V687 WeakPolarHBondContact O-CG1 3.49Å; L684-Q688 PolarHBondContact O-N 3.43Å; L684-Q688 PolarHBondContact O-NE2 2.87Å
685	E	84	Confident	82.5	Confident	18 Å²	18	41.2 Å²	41.2	8%	0.084	20%	0.196	C	C	.	.	H	α-helix	trans	-69	-30.5	174.4	-63.8	-52.8	147.9	0	0	111.7	R662 S681 V682 Q688 D689 N690 A694 L697	R662-E685 IonicContact CZ-OE1 2.93Å; R662-E685 IonicContact CZ-OE2 3.86Å; R662-E685 IonicContact NE-OE1 3.03Å; R662-E685 PolarHBondContact NE-OE1 2.88Å; R662-E685 IonicContact NE-OE2 3.39Å; R662-E685 IonicContact NH2-OE1 2.75Å; R662-E685 IonicContact NH2-OE2 3.67Å; R662-E685 PolarHBondContact NH2-OE2 3.27Å; S681-E685 PolarHBondContact O-N 3.24Å; V682-E685 PolarHBondContact O-N 3.17Å; E685-Q688 PolarHBondContact O-N 3.3Å; E685-D689 PolarHBondContact O-N 3.43Å; E685-N690 HydrophobicContact CB-CB 4.34Å; E685-N690 PolarHBondContact O-N 3.21Å; E685-N690 PolarHBondContact OE2-ND2 2.75Å; E685-A694 HydrophobicContact CB-CB 3.94Å; E685-L697 HydrophobicContact CB-CD1 4.48Å; E685-L697 HydrophobicContact CG-CD1 3.61Å
686	W	84.4	Confident	82.9	Confident	6 Å²	6	45.4 Å²	45.4	2%	0.023	22%	0.218	C	C	.	.	H	α-helix	trans	-69.9	-35.8	178.1	-165.8	19.9	0	0	0	113.4	V682 K683 L684 Q688 D689 Q717 I718 Q721 I919	V682-W686 VanDerWaalsContact O-CB 3.24Å; V682-W686 WeakPolarHBondContact O-CB 3.48Å; V682-W686 PolarHBondContact O-N 3.46Å; K683-W686 PolarHBondContact O-N 3.4Å; L684-W686 VanDerWaalsContact C-N 3.26Å; L684-W686 PolarHBondContact O-N 3.24Å; W686-Q688 VanDerWaalsContact C-N 3.3Å; W686-D689 PolarHBondContact O-N 3.4Å; W686-Q717 HydrophobicContact CH2-CB 3.5Å; W686-Q717 VanDerWaalsContact CH2-CB 3.5Å; W686-Q717 HydrophobicContact CH2-CG 4.4Å; W686-Q717 HydrophobicContact CZ2-CB 3.85Å; W686-Q717 HydrophobicContact CZ3-CB 4.44Å; W686-I718 HydrophobicContact CD2-CD1 4.31Å; W686-I718 HydrophobicContact CD2-CG1 3.72Å; W686-I718 HydrophobicContact CE3-CG1 4.33Å; W686-I718 HydrophobicContact CG-CD1 4.31Å; W686-I718 HydrophobicContact CG-CG1 3.91Å; W686-I718 HydrophobicContact CZ2-CG1 4.15Å; W686-Q721 VanDerWaalsContact CZ2-NE2 3.26Å; W686-I919 HydrophobicContact CD2-CD1 3.97Å; W686-I919 HydrophobicContact CD2-CG1 3.63Å; W686-I919 HydrophobicContact CE3-CD1 3.4Å; W686-I919 HydrophobicContact CE3-CG1 3.54Å; W686-I919 HydrophobicContact CG-CG1 4.39Å; W686-I919 HydrophobicContact CH2-CD1 4.02Å; W686-I919 HydrophobicContact CH2-CG1 3.59Å; W686-I919 HydrophobicContact CZ2-CG1 3.72Å; W686-I919 HydrophobicContact CZ3-CD1 3.43Å; W686-I919 VanDerWaalsContact CZ3-CD1 3.43Å; W686-I919 HydrophobicContact CZ3-CG1 3.52Å
687	V	82.7	Confident	83	Confident	31 Å²	31	41 Å²	41	19%	0.188	20%	0.203	C	C	.	.	H	α-helix	trans	-74.2	-21.1	175.7	69.5	0	0	0	0	113	K683 L684 D689 I919	K683-V687 PolarHBondContact O-N 3.44Å; L684-V687 WeakPolarHBondContact O-CG1 3.49Å; V687-D689 VanDerWaalsContact C-N 3.34Å; V687-I919 HydrophobicContact CB-CG2 3.96Å; V687-I919 HydrophobicContact CG2-CG2 4.1Å
688	Q	80.6	Confident	82.9	Confident	47 Å²	47	41 Å²	41	22%	0.22	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	11.7	176.4	-77.8	173.7	61.4	0	0	113.4	Y658 L684 E685 W686 N690	Y658-Q688 HydrophobicContact CD2-CG 4.47Å; Y658-Q688 HydrophobicContact CG-CG 4.32Å; L684-Q688 PolarHBondContact O-N 3.43Å; L684-Q688 PolarHBondContact O-NE2 2.87Å; E685-Q688 PolarHBondContact O-N 3.3Å; W686-Q688 VanDerWaalsContact C-N 3.3Å; Q688-N690 PolarHBondContact O-N 2.9Å; Q688-N690 VanDerWaalsContact O-N 3.07Å
689	D	77.3	Confident	83.1	Confident	123 Å²	123	43.7 Å²	43.7	66%	0.658	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	19.1	-179.1	-62.2	-29.7	0	0	0	115	E685 W686 V687 I691	E685-D689 PolarHBondContact O-N 3.43Å; W686-D689 PolarHBondContact O-N 3.4Å; V687-D689 VanDerWaalsContact C-N 3.34Å; D689-I691 WeakPolarHBondContact O-CG1 3.3Å; D689-I691 PolarHBondContact O-N 3.35Å
690	N	80.4	Confident	83	Confident	71 Å²	71	46.4 Å²	46.4	38%	0.38	23%	0.228	S	C	.	.			trans	-81.2	64.6	172.9	-76.7	-17.3	0	0	0	110.8	R662 E685 Q688 R692 A693 A694	R662-N690 PolarHBondContact NH2-ND2 3.39Å; E685-N690 HydrophobicContact CB-CB 4.34Å; E685-N690 PolarHBondContact O-N 3.21Å; E685-N690 PolarHBondContact OE2-ND2 2.75Å; Q688-N690 PolarHBondContact O-N 2.9Å; Q688-N690 VanDerWaalsContact O-N 3.07Å; N690-R692 VanDerWaalsContact C-N 3.29Å; N690-R692 PolarHBondContact O-N 3.33Å; N690-A693 HydrophobicContact CB-CB 4.49Å; N690-A693 PolarHBondContact O-N 3.15Å; N690-A694 WeakPolarHBondContact O-CB 3.48Å; N690-A694 PolarHBondContact O-N 2.88Å
691	I	75.3	Confident	83.1	Confident	42 Å²	42	43.7 Å²	43.7	22%	0.215	22%	0.216	C	C	.	.	H	α-helix	trans	-58.6	-37.6	-169.6	-53.8	-52.1	0	0	0	112.7	D689 A694 Q695 I718	D689-I691 WeakPolarHBondContact O-CG1 3.3Å; D689-I691 PolarHBondContact O-N 3.35Å; I691-A694 PolarHBondContact O-N 3.2Å; I691-Q695 WeakPolarHBondContact O-CG 3.16Å; I691-Q695 PolarHBondContact O-N 3.29Å; I691-I718 HydrophobicContact CG2-CG2 3.85Å
692	R	83.3	Confident	83.2	Confident	204 Å²	204	43.3 Å²	43.3	77%	0.77	21%	0.213	S	C	*	.	H	α-helix	trans	-70	-48.1	-177	-150.4	177.6	-165	175.1	3.8	112.1	N690 A694 Q695 D696	N690-R692 VanDerWaalsContact C-N 3.29Å; N690-R692 PolarHBondContact O-N 3.33Å; R692-A694 VanDerWaalsContact C-N 3.28Å; R692-A694 PolarHBondContact O-N 2.97Å; R692-Q695 WeakPolarHBondContact O-CB 3.41Å; R692-Q695 PolarHBondContact O-N 3.25Å; R692-D696 PolarHBondContact O-N 2.88Å; R692-D696 VanDerWaalsContact O-N 3.09Å
693	A	82.1	Confident	83.2	Confident	40 Å²	40	52 Å²	52	33%	0.331	25%	0.246	S	C	.	.	H	α-helix	trans	-63.8	-35.8	174.4	0	0	0	0	0	111.5	N690 Q695 D696 L697	N690-A693 HydrophobicContact CB-CB 4.49Å; N690-A693 PolarHBondContact O-N 3.15Å; A693-Q695 VanDerWaalsContact C-N 3.34Å; A693-Q695 PolarHBondContact O-N 2.89Å; A693-D696 PolarHBondContact O-N 3.28Å; A693-L697 WeakPolarHBondContact O-CB 3.38Å; A693-L697 WeakPolarHBondContact O-CG 3.26Å; A693-L697 PolarHBondContact O-N 3.01Å
694	A	81.8	Confident	83.2	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.1	-37.9	174.6	0	0	0	0	0	112.5	E685 N690 I691 R692 C698 I718	E685-A694 HydrophobicContact CB-CB 3.94Å; N690-A694 WeakPolarHBondContact O-CB 3.48Å; N690-A694 PolarHBondContact O-N 2.88Å; I691-A694 PolarHBondContact O-N 3.2Å; R692-A694 VanDerWaalsContact C-N 3.28Å; R692-A694 PolarHBondContact O-N 2.97Å; A694-C698 VanDerWaalsContact O-CB 3.28Å; A694-C698 WeakPolarHBondContact O-CB 3.37Å; A694-C698 PolarHBondContact O-N 3.44Å; A694-I718 HydrophobicContact CB-CD1 4.16Å
695	Q	83.1	Confident	83.2	Confident	35 Å²	35	60.4 Å²	60.4	16%	0.164	28%	0.282	C	S	.	.	H	α-helix	trans	-64.9	-48.1	173.9	-74.4	-179.5	-13.8	0	0	111.7	I691 R692 A693 L697 C698 E699 I718 E719 K722	I691-Q695 WeakPolarHBondContact O-CG 3.16Å; I691-Q695 PolarHBondContact O-N 3.29Å; R692-Q695 WeakPolarHBondContact O-CB 3.41Å; R692-Q695 PolarHBondContact O-N 3.25Å; A693-Q695 VanDerWaalsContact C-N 3.34Å; A693-Q695 PolarHBondContact O-N 2.89Å; Q695-L697 VanDerWaalsContact C-N 3.32Å; Q695-L697 PolarHBondContact O-N 3.12Å; Q695-C698 WeakPolarHBondContact O-CB 3.28Å; Q695-C698 PolarHBondContact O-N 3.43Å; Q695-C698 VanDerWaalsContact O-N 3.15Å; Q695-E699 WeakPolarHBondContact O-CB 3.36Å; Q695-E699 PolarHBondContact O-N 3.26Å; Q695-I718 HydrophobicContact CG-CG2 3.94Å; Q695-E719 VanDerWaalsContact CD-OE1 3.27Å; Q695-E719 PolarHBondContact NE2-OE1 3.12Å; Q695-E719 PolarHBondContact NE2-OE2 2.91Å; Q695-E719 VanDerWaalsContact NE2-OE2 3.14Å; Q695-K722 VanDerWaalsContact OE1-NZ 3.12Å
696	D	86.8	Confident	83.2	Confident	97 Å²	97	63.9 Å²	63.9	52%	0.519	30%	0.299	S	S	.	.	H	α-helix	trans	-60.1	-44.7	178.9	-63.6	-29	0	0	0	110.8	R692 A693 C698 E699 E700	R692-D696 PolarHBondContact O-N 2.88Å; R692-D696 VanDerWaalsContact O-N 3.09Å; A693-D696 PolarHBondContact O-N 3.28Å; D696-C698 PolarHBondContact O-N 3.28Å; D696-E699 PolarHBondContact O-N 3.12Å; D696-E700 WeakPolarHBondContact O-CB 3.48Å; D696-E700 WeakPolarHBondContact O-CG 3.37Å; D696-E700 PolarHBondContact O-N 2.97Å
697	L	84.7	Confident	83.3	Confident	22 Å²	22	69.7 Å²	69.7	12%	0.115	33%	0.33	C	S	.	.	H	α-helix	trans	-65.3	-37.6	175.5	-70.1	176.2	0	0	0	112.9	V682 E685 A693 Q695 A701	V682-L697 HydrophobicContact CG2-CB 4.1Å; E685-L697 HydrophobicContact CB-CD1 4.48Å; E685-L697 HydrophobicContact CG-CD1 3.61Å; A693-L697 WeakPolarHBondContact O-CB 3.38Å; A693-L697 WeakPolarHBondContact O-CG 3.26Å; A693-L697 PolarHBondContact O-N 3.01Å; Q695-L697 VanDerWaalsContact C-N 3.32Å; Q695-L697 PolarHBondContact O-N 3.12Å; L697-A701 WeakPolarHBondContact O-CB 3.43Å; L697-A701 PolarHBondContact O-N 2.99Å
698	C	84.3	Confident	83.4	Confident	1 Å²	1	71.4 Å²	71.4	1%	0.007	34%	0.336	C	S	.	.	H	α-helix	trans	-63.2	-44.3	173.8	-105.6	0	0	0	0	111.3	V682 A694 Q695 D696 A701 L702 K715	V682-C698 WeakPolarHBondContact CG1-SG 3.31Å; V682-C698 HydrophobicContact CG2-CB 4.3Å; A694-C698 VanDerWaalsContact O-CB 3.28Å; A694-C698 WeakPolarHBondContact O-CB 3.37Å; A694-C698 PolarHBondContact O-N 3.44Å; Q695-C698 WeakPolarHBondContact O-CB 3.28Å; Q695-C698 PolarHBondContact O-N 3.43Å; Q695-C698 VanDerWaalsContact O-N 3.15Å; D696-C698 PolarHBondContact O-N 3.28Å; C698-A701 PolarHBondContact O-N 3.48Å; C698-L702 WeakPolarHBondContact O-CB 3.39Å; C698-L702 WeakPolarHBondContact O-CG 3.3Å; C698-L702 PolarHBondContact O-N 2.94Å; C698-K715 HydrophobicContact CB-CB 4.47Å
699	E	86.8	Confident	83.7	Confident	66 Å²	66	70.9 Å²	70.9	31%	0.308	34%	0.336	S	S	.	.	H	α-helix	trans	-68.9	-45.9	-179.2	-172	61.6	-155.1	0	0	111.3	Q695 D696 A701 L702 R703 K715	Q695-E699 WeakPolarHBondContact O-CB 3.36Å; Q695-E699 PolarHBondContact O-N 3.26Å; D696-E699 PolarHBondContact O-N 3.12Å; E699-A701 VanDerWaalsContact C-N 3.31Å; E699-A701 PolarHBondContact O-N 3.36Å; E699-L702 PolarHBondContact O-N 2.81Å; E699-R703 WeakPolarHBondContact O-CG 3.48Å; E699-R703 PolarHBondContact O-N 3.11Å; E699-K715 IonicContact OE2-NZ 3.58Å; E699-K715 PolarHBondContact OE2-NZ 3.32Å
700	E	85.4	Confident	84.1	Confident	79 Å²	79	68.4 Å²	68.4	37%	0.369	32%	0.319	S	S	.	.	H	α-helix	trans	-56	-47	170.9	-75.9	-177.5	179.2	0	0	111.1	R669 D696 L702 R703 H704	R669-E700 IonicContact CZ-OE2 2.74Å; R669-E700 IonicContact NH2-OE2 3.19Å; R669-E700 PolarHBondContact NH2-OE2 3.19Å; D696-E700 WeakPolarHBondContact O-CB 3.48Å; D696-E700 WeakPolarHBondContact O-CG 3.37Å; D696-E700 PolarHBondContact O-N 2.97Å; E700-L702 VanDerWaalsContact C-N 3.3Å; E700-L702 PolarHBondContact O-N 3.18Å; E700-R703 PolarHBondContact O-N 3.27Å; E700-H704 PolarHBondContact O-CD2 3.31Å; E700-H704 PolarHBondContact O-N 3.33Å
701	A	85.5	Confident	84.5	Confident	0 Å²	0	65 Å²	65	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.3	-38.3	179.5	0	0	0	0	0	112.2	F678 L697 C698 E699 H704 Y705 L711	F678-A701 HydrophobicContact CB-CB 3.65Å; F678-A701 HydrophobicContact CD1-CB 3.57Å; F678-A701 HydrophobicContact CE1-CB 4.42Å; F678-A701 HydrophobicContact CG-CB 3.82Å; L697-A701 WeakPolarHBondContact O-CB 3.43Å; L697-A701 PolarHBondContact O-N 2.99Å; C698-A701 PolarHBondContact O-N 3.48Å; E699-A701 VanDerWaalsContact C-N 3.31Å; E699-A701 PolarHBondContact O-N 3.36Å; A701-H704 PolarHBondContact O-N 2.97Å; A701-Y705 PolarHBondContact O-N 2.86Å; A701-L711 HydrophobicContact CB-CD2 3.46Å; A701-L711 VanDerWaalsContact CB-CD2 3.46Å; A701-L711 HydrophobicContact CB-CG 4.23Å
702	L	84.9	Confident	85.1	Confident	3 Å²	3	63.2 Å²	63.2	2%	0.016	29%	0.292	C	S	.	.	H	α-helix	trans	-69.9	-38.2	176.7	-76.6	171.6	0	0	0	111.8	C698 E699 E700 H704 Y705 E706 L711 W712 K715	C698-L702 WeakPolarHBondContact O-CB 3.39Å; C698-L702 WeakPolarHBondContact O-CG 3.3Å; C698-L702 PolarHBondContact O-N 2.94Å; E699-L702 PolarHBondContact O-N 2.81Å; E700-L702 VanDerWaalsContact C-N 3.3Å; E700-L702 PolarHBondContact O-N 3.18Å; L702-H704 PolarHBondContact O-N 3.5Å; L702-Y705 CarbonylContact O-C 3.56Å; L702-Y705 PolarHBondContact O-N 3.49Å; L702-E706 WeakPolarHBondContact O-CA 3.45Å; L702-E706 WeakPolarHBondContact O-CG 3.42Å; L702-E706 PolarHBondContact O-N 3.28Å; L702-E706 VanDerWaalsContact O-N 3.08Å; L702-L711 HydrophobicContact CD2-CB 3.56Å; L702-L711 HydrophobicContact CD2-CD2 4.24Å; L702-L711 HydrophobicContact CG-CB 4.12Å; L702-L711 HydrophobicContact CG-CD2 4.47Å; L702-W712 HydrophobicContact CB-CZ2 4.48Å; L702-W712 HydrophobicContact CD1-CD2 4.02Å; L702-W712 HydrophobicContact CD1-CE3 3.78Å; L702-W712 HydrophobicContact CD1-CH2 3.95Å; L702-W712 HydrophobicContact CD1-CZ2 4.19Å; L702-W712 HydrophobicContact CD1-CZ3 3.77Å; L702-W712 HydrophobicContact CD2-CD2 3.65Å; L702-W712 HydrophobicContact CD2-CE3 4.29Å; L702-W712 HydrophobicContact CD2-CG 3.92Å; L702-W712 HydrophobicContact CD2-CH2 4.35Å; L702-W712 HydrophobicContact CD2-CZ2 3.73Å; L702-W712 HydrophobicContact CG-CD2 4.49Å; L702-W712 HydrophobicContact CG-CZ2 4.35Å; L702-K715 HydrophobicContact CD1-CB 4.35Å; L702-K715 HydrophobicContact CD1-CD 3.54Å
703	R	86.3	Confident	85.4	Confident	181 Å²	181	54.1 Å²	54.1	68%	0.683	26%	0.258	S	S	*	.	H	α-helix	trans	-58.1	-36.8	173.2	-73.5	177.8	-174.5	178.7	2.1	112.2	E699 E700	E699-R703 WeakPolarHBondContact O-CG 3.48Å; E699-R703 PolarHBondContact O-N 3.11Å; E700-R703 PolarHBondContact O-N 3.27Å
704	H	83.9	Confident	85.6	Confident	129 Å²	129	52.5 Å²	52.5	60%	0.597	24%	0.244	S	C	*	.	H	α-helix	trans	-81.4	-36.7	176.6	-68.3	-61.9	0	0	0	113.2	E700 A701 L702	E700-H704 PolarHBondContact O-CD2 3.31Å; E700-H704 PolarHBondContact O-N 3.33Å; A701-H704 PolarHBondContact O-N 2.97Å; L702-H704 PolarHBondContact O-N 3.5Å
705	Y	83.7	Confident	85.8	Confident	73 Å²	73	54 Å²	54	29%	0.286	25%	0.251	S	S	.	.			trans	-132.7	70.4	-172.9	-60.3	-82	0	0	0	111.9	P673 A675 F678 A701 L702 D707 F708	P673-Y705 PolarHBondContact O-OH 3.01Å; A675-Y705 HydrophobicContact CB-CD1 3.99Å; A675-Y705 HydrophobicContact CB-CD2 4.17Å; A675-Y705 HydrophobicContact CB-CG 3.74Å; F678-Y705 HydrophobicContact CD2-CD2 4.35Å; F678-Y705 AromaticContact CD2-CE2 3.99Å; F678-Y705 HydrophobicContact CD2-CE2 3.99Å; F678-Y705 AromaticContact CE2-CE2 3.98Å; F678-Y705 HydrophobicContact CE2-CE2 3.98Å; A701-Y705 PolarHBondContact O-N 2.86Å; L702-Y705 CarbonylContact O-C 3.56Å; L702-Y705 PolarHBondContact O-N 3.49Å; Y705-D707 VanDerWaalsContact C-N 3.26Å; Y705-D707 PolarHBondContact O-N 3.29Å; Y705-F708 PolarHBondContact O-N 3.15Å
706	E	83.9	Confident	86	Confident	91 Å²	91	52.4 Å²	52.4	43%	0.425	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-27.6	-178.4	-66.5	-162.5	153.4	0	0	113.8	L702 F708 W712 K738	L702-E706 WeakPolarHBondContact O-CA 3.45Å; L702-E706 WeakPolarHBondContact O-CG 3.42Å; L702-E706 PolarHBondContact O-N 3.28Å; L702-E706 VanDerWaalsContact O-N 3.08Å; E706-F708 VanDerWaalsContact C-N 3.33Å; E706-F708 PolarHBondContact O-N 3.44Å; E706-W712 PolarHBondContact O-NE1 3.47Å; E706-K738 HydrophobicContact CB-CD 4.17Å; E706-K738 IonicContact OE1-NZ 3.97Å; E706-K738 PolarHBondContact OE1-NZ 2.84Å; E706-K738 WeakPolarHBondContact OE2-CE 3.35Å; E706-K738 IonicContact OE2-NZ 3.59Å; E706-K738 PolarHBondContact OE2-NZ 2.65Å
707	D	86.3	Confident	86	Confident	129 Å²	129	50.3 Å²	50.3	69%	0.69	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-19	-176.5	-170.4	36.5	0	0	0	113.1	Y705 P709	Y705-D707 VanDerWaalsContact C-N 3.26Å; Y705-D707 PolarHBondContact O-N 3.29Å; D707-P709 WeakPolarHBondContact O-CD 3.29Å
708	F	85.7	Confident	86	Confident	67 Å²	67	49.3 Å²	49.3	29%	0.294	23%	0.225	S	C	.	.			trans	-84	110.1	-171.5	-168.4	-106.3	0	0	0	112.8	A675 M679 Y705 E706 K710 L711	A675-F708 HydrophobicContact CB-CB 3.95Å; A675-F708 HydrophobicContact CB-CD1 3.99Å; A675-F708 HydrophobicContact CB-CD2 4.15Å; A675-F708 HydrophobicContact CB-CE1 4.4Å; A675-F708 HydrophobicContact CB-CG 3.79Å; M679-F708 HydrophobicContact SD-CE1 4.38Å; Y705-F708 PolarHBondContact O-N 3.15Å; E706-F708 VanDerWaalsContact C-N 3.33Å; E706-F708 PolarHBondContact O-N 3.44Å; F708-K710 VanDerWaalsContact C-N 3.3Å; F708-K710 HydrophobicContact CD1-CB 3.83Å; F708-K710 HydrophobicContact CE1-CB 3.29Å; F708-K710 HydrophobicContact CE1-CG 4.44Å; F708-K710 HydrophobicContact CZ-CB 3.86Å; F708-K710 PolarHBondContact O-N 3.06Å; F708-L711 HydrophobicContact CD1-CB 4.3Å; F708-L711 HydrophobicContact CD1-CD1 3.37Å; F708-L711 HydrophobicContact CD1-CG 4.25Å; F708-L711 HydrophobicContact CE1-CD1 3.67Å; F708-L711 PolarHBondContact O-N 3.28Å
709	P	85.7	Confident	86	Confident	35 Å²	35	50 Å²	50	23%	0.227	23%	0.228	C	C	.	.	H	α-helix	trans	-68.8	-24.4	-170.5	26.9	-36	0	0	0	113.9	D707 L711 W712 M713 C739 S742	D707-P709 WeakPolarHBondContact O-CD 3.29Å; P709-L711 VanDerWaalsContact C-N 3.31Å; P709-L711 PolarHBondContact O-N 2.98Å; P709-W712 PolarHBondContact O-N 2.93Å; P709-M713 PolarHBondContact O-N 3.45Å; P709-C739 HydrophobicContact CB-CB 4.26Å; P709-C739 VanDerWaalsContact CB-SG 3.59Å; P709-S742 VanDerWaalsContact CB-CB 3.46Å; P709-S742 WeakPolarHBondContact CB-OG 3.45Å
710	K	86.3	Confident	85.9	Confident	72 Å²	72	49.1 Å²	49.1	31%	0.313	22%	0.224	S	C	.	.	H	α-helix	trans	-70.5	-29.7	-177.1	-151.2	108.2	-163.1	170	0	113	M679 F708 M713 M714	M679-K710 HydrophobicContact CE-CD 4.38Å; M679-K710 HydrophobicContact CE-CG 4Å; M679-K710 HydrophobicContact SD-CB 4.45Å; M679-K710 HydrophobicContact SD-CG 4.02Å; F708-K710 VanDerWaalsContact C-N 3.3Å; F708-K710 HydrophobicContact CD1-CB 3.83Å; F708-K710 HydrophobicContact CE1-CB 3.29Å; F708-K710 HydrophobicContact CE1-CG 4.44Å; F708-K710 HydrophobicContact CZ-CB 3.86Å; F708-K710 PolarHBondContact O-N 3.06Å; K710-M713 HydrophobicContact CB-CE 4.03Å; K710-M713 HydrophobicContact CD-CE 3.54Å; K710-M713 HydrophobicContact CG-CE 3.86Å; K710-M713 PolarHBondContact O-N 3.26Å; K710-M714 HydrophobicContact CG-CE 4.26Å; K710-M714 WeakPolarHBondContact O-CG 3.43Å; K710-M714 PolarHBondContact O-N 2.94Å
711	L	88.3	Confident	85.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-67.2	-43.1	175.3	-96.4	56.5	0	0	0	109.9	A675 M679 A701 L702 F708 P709 M713 M714 K715	A675-L711 WeakPolarHBondContact O-CD1 3.15Å; M679-L711 HydrophobicContact CB-CD1 3.71Å; M679-L711 HydrophobicContact CG-CD1 4.42Å; A701-L711 HydrophobicContact CB-CD2 3.46Å; A701-L711 VanDerWaalsContact CB-CD2 3.46Å; A701-L711 HydrophobicContact CB-CG 4.23Å; L702-L711 HydrophobicContact CD2-CB 3.56Å; L702-L711 HydrophobicContact CD2-CD2 4.24Å; L702-L711 HydrophobicContact CG-CB 4.12Å; L702-L711 HydrophobicContact CG-CD2 4.47Å; F708-L711 HydrophobicContact CD1-CB 4.3Å; F708-L711 HydrophobicContact CD1-CD1 3.37Å; F708-L711 HydrophobicContact CD1-CG 4.25Å; F708-L711 HydrophobicContact CE1-CD1 3.67Å; F708-L711 PolarHBondContact O-N 3.28Å; P709-L711 VanDerWaalsContact C-N 3.31Å; P709-L711 PolarHBondContact O-N 2.98Å; L711-M713 VanDerWaalsContact C-N 3.33Å; L711-M713 PolarHBondContact O-N 3.43Å; L711-M714 PolarHBondContact O-N 2.85Å; L711-K715 PolarHBondContact O-N 3.21Å
712	W	89.3	Confident	85.5	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.015	25%	0.246	C	C	.	.	H	α-helix	trans	-59.8	-41.4	172.3	-66.6	107.4	0	0	0	112.5	L702 E706 P709 M714 K715 G716 A731 Q734 G735 K738 L745	L702-W712 HydrophobicContact CB-CZ2 4.48Å; L702-W712 HydrophobicContact CD1-CD2 4.02Å; L702-W712 HydrophobicContact CD1-CE3 3.78Å; L702-W712 HydrophobicContact CD1-CH2 3.95Å; L702-W712 HydrophobicContact CD1-CZ2 4.19Å; L702-W712 HydrophobicContact CD1-CZ3 3.77Å; L702-W712 HydrophobicContact CD2-CD2 3.65Å; L702-W712 HydrophobicContact CD2-CE3 4.29Å; L702-W712 HydrophobicContact CD2-CG 3.92Å; L702-W712 HydrophobicContact CD2-CH2 4.35Å; L702-W712 HydrophobicContact CD2-CZ2 3.73Å; L702-W712 HydrophobicContact CG-CD2 4.49Å; L702-W712 HydrophobicContact CG-CZ2 4.35Å; E706-W712 PolarHBondContact O-NE1 3.47Å; P709-W712 PolarHBondContact O-N 2.93Å; W712-M714 PolarHBondContact O-N 2.91Å; W712-K715 HydrophobicContact CZ3-CD 4.47Å; W712-K715 PolarHBondContact O-N 3.05Å; W712-G716 PolarHBondContact O-N 3.12Å; W712-A731 VanDerWaalsContact CE3-O 3.23Å; W712-Q734 HydrophobicContact CH2-CB 4.27Å; W712-Q734 HydrophobicContact CH2-CG 3.73Å; W712-Q734 VanDerWaalsContact CH2-OE1 3.29Å; W712-Q734 HydrophobicContact CZ3-CB 3.97Å; W712-Q734 HydrophobicContact CZ3-CG 3.94Å; W712-G735 VanDerWaalsContact CD2-CA 3.42Å; W712-K738 HydrophobicContact CZ2-CD 3.86Å; W712-L745 HydrophobicContact CB-CD1 4.22Å; W712-L745 HydrophobicContact CB-CD2 4.2Å
713	M	87.8	Confident	85.1	Confident	13 Å²	13	61.9 Å²	61.9	6%	0.064	28%	0.282	C	S	.	.	H	α-helix	trans	-60.5	-43.7	174.2	-71.5	-171.9	-78.4	0	0	112	P709 K710 L711 Q717 P744 L745 L748	P709-M713 PolarHBondContact O-N 3.45Å; K710-M713 HydrophobicContact CB-CE 4.03Å; K710-M713 HydrophobicContact CD-CE 3.54Å; K710-M713 HydrophobicContact CG-CE 3.86Å; K710-M713 PolarHBondContact O-N 3.26Å; L711-M713 VanDerWaalsContact C-N 3.33Å; L711-M713 PolarHBondContact O-N 3.43Å; M713-Q717 WeakPolarHBondContact O-CB 3.45Å; M713-Q717 VanDerWaalsContact O-CG 3.28Å; M713-Q717 WeakPolarHBondContact O-CG 3.35Å; M713-Q717 PolarHBondContact O-N 3.29Å; M713-P744 HydrophobicContact CE-CB 4.39Å; M713-P744 HydrophobicContact CE-CG 3.92Å; M713-P744 HydrophobicContact SD-CB 3.75Å; M713-P744 HydrophobicContact SD-CG 3.87Å; M713-L745 HydrophobicContact CG-CB 4.26Å; M713-L745 HydrophobicContact CG-CD1 3.64Å; M713-L748 HydrophobicContact CB-CD2 4.02Å; M713-L748 HydrophobicContact CG-CD2 4.01Å; M713-L748 HydrophobicContact SD-CD1 4.2Å; M713-L748 HydrophobicContact SD-CD2 4.38Å
714	M	86.5	Confident	84.9	Confident	5 Å²	5	57.3 Å²	57.3	3%	0.025	27%	0.269	C	S	.	.	H	α-helix	trans	-65.8	-44.8	178	-72.4	179.3	-176.8	0	0	112.4	M679 V682 K683 K710 L711 W712 G716 Q717 I718	M679-M714 HydrophobicContact CB-CE 4.45Å; M679-M714 HydrophobicContact CB-SD 4.42Å; M679-M714 HydrophobicContact CE-CE 3.32Å; M679-M714 HydrophobicContact CG-CE 3.15Å; M679-M714 HydrophobicContact CG-SD 3.61Å; M679-M714 HydrophobicContact SD-CE 3.96Å; V682-M714 HydrophobicContact CB-SD 4.39Å; V682-M714 HydrophobicContact CG1-CB 4.2Å; V682-M714 HydrophobicContact CG1-SD 4.02Å; K683-M714 HydrophobicContact CD-CE 3.69Å; K683-M714 HydrophobicContact CG-CE 3.67Å; K683-M714 HydrophobicContact CG-SD 4Å; K710-M714 HydrophobicContact CG-CE 4.26Å; K710-M714 WeakPolarHBondContact O-CG 3.43Å; K710-M714 PolarHBondContact O-N 2.94Å; L711-M714 PolarHBondContact O-N 2.85Å; W712-M714 PolarHBondContact O-N 2.91Å; M714-G716 VanDerWaalsContact C-N 3.32Å; M714-G716 PolarHBondContact O-N 3.31Å; M714-Q717 PolarHBondContact O-N 3.43Å; M714-I718 WeakPolarHBondContact O-CB 3.42Å; M714-I718 WeakPolarHBondContact O-CD1 3.45Å; M714-I718 VanDerWaalsContact O-CG1 3.22Å; M714-I718 WeakPolarHBondContact O-CG1 3.46Å; M714-I718 PolarHBondContact O-N 2.65Å
715	K	87.4	Confident	84.7	Confident	33 Å²	33	53.4 Å²	53.4	14%	0.143	25%	0.252	C	S	.	.	H	α-helix	trans	-55.7	-49.8	177	-178.3	173.5	174.1	177.1	0	110.4	C698 E699 L702 L711 W712 Q717 I718 E719 A731	C698-K715 HydrophobicContact CB-CB 4.47Å; E699-K715 IonicContact OE2-NZ 3.58Å; E699-K715 PolarHBondContact OE2-NZ 3.32Å; L702-K715 HydrophobicContact CD1-CB 4.35Å; L702-K715 HydrophobicContact CD1-CD 3.54Å; L711-K715 PolarHBondContact O-N 3.21Å; W712-K715 HydrophobicContact CZ3-CD 4.47Å; W712-K715 PolarHBondContact O-N 3.05Å; K715-Q717 PolarHBondContact O-N 3.41Å; K715-I718 PolarHBondContact O-N 2.84Å; K715-E719 WeakPolarHBondContact O-CG 3.44Å; K715-E719 PolarHBondContact O-N 3.43Å; K715-A731 HydrophobicContact CD-CB 4.1Å; K715-A731 HydrophobicContact CG-CB 3.98Å
716	G	86.6	Confident	84.8	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.5	-37.3	178.4	0	0	0	0	0	113.8	W712 M714 E719 E720 Y732	W712-G716 PolarHBondContact O-N 3.12Å; M714-G716 VanDerWaalsContact C-N 3.32Å; M714-G716 PolarHBondContact O-N 3.31Å; G716-E719 PolarHBondContact O-N 2.91Å; G716-E720 WeakPolarHBondContact O-CG 3.49Å; G716-E720 PolarHBondContact O-N 2.87Å; G716-Y732 VanDerWaalsContact C-OH 3.23Å; G716-Y732 VanDerWaalsContact CA-CE1 3.45Å
717	Q	85.8	Confident	84.8	Confident	54 Å²	54	54.6 Å²	54.6	25%	0.252	26%	0.262	S	S	.	.	H	α-helix	trans	-68.3	-35.5	176.1	-72.4	-177.7	-36.9	0	0	113.2	W686 M713 M714 K715 E720 Q721 Y732 L748	W686-Q717 HydrophobicContact CH2-CB 3.5Å; W686-Q717 VanDerWaalsContact CH2-CB 3.5Å; W686-Q717 HydrophobicContact CH2-CG 4.4Å; W686-Q717 HydrophobicContact CZ2-CB 3.85Å; W686-Q717 HydrophobicContact CZ3-CB 4.44Å; M713-Q717 WeakPolarHBondContact O-CB 3.45Å; M713-Q717 VanDerWaalsContact O-CG 3.28Å; M713-Q717 WeakPolarHBondContact O-CG 3.35Å; M713-Q717 PolarHBondContact O-N 3.29Å; M714-Q717 PolarHBondContact O-N 3.43Å; K715-Q717 PolarHBondContact O-N 3.41Å; Q717-E720 PolarHBondContact O-N 3.07Å; Q717-Q721 WeakPolarHBondContact O-CG 3.44Å; Q717-Q721 PolarHBondContact O-N 3.45Å; Q717-Q721 VanDerWaalsContact O-N 3.14Å; Q717-Y732 PolarHBondContact N-OH 2.72Å; Q717-L748 HydrophobicContact CG-CD2 3.91Å
718	I	86.1	Confident	84.8	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-64.6	-43.6	173.4	-69.7	164.9	0	0	0	109.8	V682 W686 I691 A694 Q695 M714 K715 Q721 K722	V682-I718 HydrophobicContact CG1-CD1 3.8Å; W686-I718 HydrophobicContact CD2-CD1 4.31Å; W686-I718 HydrophobicContact CD2-CG1 3.72Å; W686-I718 HydrophobicContact CE3-CG1 4.33Å; W686-I718 HydrophobicContact CG-CD1 4.31Å; W686-I718 HydrophobicContact CG-CG1 3.91Å; W686-I718 HydrophobicContact CZ2-CG1 4.15Å; I691-I718 HydrophobicContact CG2-CG2 3.85Å; A694-I718 HydrophobicContact CB-CD1 4.16Å; Q695-I718 HydrophobicContact CG-CG2 3.94Å; M714-I718 WeakPolarHBondContact O-CB 3.42Å; M714-I718 WeakPolarHBondContact O-CD1 3.45Å; M714-I718 VanDerWaalsContact O-CG1 3.22Å; M714-I718 WeakPolarHBondContact O-CG1 3.46Å; M714-I718 PolarHBondContact O-N 2.65Å; K715-I718 PolarHBondContact O-N 2.84Å; I718-Q721 PolarHBondContact O-N 3.43Å; I718-K722 PolarHBondContact O-N 2.68Å
719	E	84.5	Confident	84.9	Confident	16 Å²	16	46.9 Å²	46.9	8%	0.075	22%	0.222	C	C	.	.	H	α-helix	trans	-68.4	-33.4	176.2	-64.9	-63	169.5	0	0	112.8	Q695 K715 G716 Q721 K722 E723 M724 N727 A728	Q695-E719 VanDerWaalsContact CD-OE1 3.27Å; Q695-E719 PolarHBondContact NE2-OE1 3.12Å; Q695-E719 PolarHBondContact NE2-OE2 2.91Å; Q695-E719 VanDerWaalsContact NE2-OE2 3.14Å; K715-E719 WeakPolarHBondContact O-CG 3.44Å; K715-E719 PolarHBondContact O-N 3.43Å; G716-E719 PolarHBondContact O-N 2.91Å; E719-Q721 VanDerWaalsContact C-N 3.32Å; E719-Q721 PolarHBondContact O-N 3.4Å; E719-K722 PolarHBondContact O-N 3.48Å; E719-E723 PolarHBondContact O-N 3.32Å; E719-M724 PolarHBondContact O-N 3.04Å; E719-N727 HydrophobicContact CB-CB 4.49Å; E719-N727 HydrophobicContact CG-CB 4.28Å; E719-A728 HydrophobicContact CB-CB 3.87Å
720	E	83.5	Confident	85.1	Confident	46 Å²	46	51.3 Å²	51.3	22%	0.215	24%	0.239	C	C	.	.	H	α-helix	trans	-62.3	-38.2	172.7	-82.2	179.8	-148.4	0	0	112.3	G716 Q717 K722 E723 M725 A728 Y732 L752	G716-E720 WeakPolarHBondContact O-CG 3.49Å; G716-E720 PolarHBondContact O-N 2.87Å; Q717-E720 PolarHBondContact O-N 3.07Å; E720-K722 VanDerWaalsContact C-N 3.31Å; E720-E723 PolarHBondContact O-N 2.86Å; E720-M725 HydrophobicContact CG-SD 4.48Å; E720-A728 HydrophobicContact CG-CB 3.97Å; E720-Y732 WeakPolarHBondContact OE1-CE2 3.39Å; E720-Y732 PolarHBondContact OE1-OH 3.36Å; E720-L752 HydrophobicContact CG-CD1 3.79Å
721	Q	81.7	Confident	85.2	Confident	101 Å²	101	48 Å²	48	47%	0.472	23%	0.226	S	C	.	.	H	α-helix	trans	-71.5	-26.9	176.8	-74	-178.2	-4.5	0	0	113.1	W686 Q717 I718 E719 E723	W686-Q721 VanDerWaalsContact CZ2-NE2 3.26Å; Q717-Q721 WeakPolarHBondContact O-CG 3.44Å; Q717-Q721 PolarHBondContact O-N 3.45Å; Q717-Q721 VanDerWaalsContact O-N 3.14Å; I718-Q721 PolarHBondContact O-N 3.43Å; E719-Q721 VanDerWaalsContact C-N 3.32Å; E719-Q721 PolarHBondContact O-N 3.4Å; Q721-E723 PolarHBondContact O-N 3.49Å
722	K	80.6	Confident	85.3	Confident	86 Å²	86	48 Å²	48	37%	0.374	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	3.5	174.8	-158.7	178.1	178.8	-175.3	0	112.9	Q695 I718 E719 E720 M724	Q695-K722 VanDerWaalsContact OE1-NZ 3.12Å; I718-K722 PolarHBondContact O-N 2.68Å; E719-K722 PolarHBondContact O-N 3.48Å; E720-K722 VanDerWaalsContact C-N 3.31Å; K722-M724 HydrophobicContact CD-CE 4.4Å; K722-M724 HydrophobicContact CD-SD 3.92Å; K722-M724 HydrophobicContact CG-CG 4.37Å; K722-M724 HydrophobicContact CG-SD 4.31Å; K722-M724 PolarHBondContact O-N 2.83Å
723	E	76.6	Confident	85.3	Confident	164 Å²	164	52.7 Å²	52.7	77%	0.766	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	8.7	-175.7	-55.3	-172.1	154.2	0	0	114.8	E719 E720 Q721 M725	E719-E723 PolarHBondContact O-N 3.32Å; E720-E723 PolarHBondContact O-N 2.86Å; Q721-E723 PolarHBondContact O-N 3.49Å; E723-M725 VanDerWaalsContact C-N 3.33Å; E723-M725 PolarHBondContact O-N 3.43Å
724	M	81.9	Confident	85.4	Confident	84 Å²	84	55.5 Å²	55.5	41%	0.414	26%	0.264	S	S	.	.			trans	-86	70.5	177.7	-66.7	-175.9	177.1	0	0	111	E719 K722 E726 N727 A728	E719-M724 PolarHBondContact O-N 3.04Å; K722-M724 HydrophobicContact CD-CE 4.4Å; K722-M724 HydrophobicContact CD-SD 3.92Å; K722-M724 HydrophobicContact CG-CG 4.37Å; K722-M724 HydrophobicContact CG-SD 4.31Å; K722-M724 PolarHBondContact O-N 2.83Å; M724-E726 PolarHBondContact O-N 3.08Å; M724-E726 VanDerWaalsContact O-N 3.15Å; M724-N727 HydrophobicContact CB-CB 4.27Å; M724-N727 PolarHBondContact O-N 3.28Å; M724-N727 VanDerWaalsContact O-N 3.16Å; M724-A728 PolarHBondContact O-N 2.78Å
725	M	80.9	Confident	85.4	Confident	47 Å²	47	55.2 Å²	55.2	23%	0.232	26%	0.262	C	S	.	.	H	α-helix	trans	-62	-24	-172.8	-60	-63.1	179.7	0	0	114.7	E720 E723 R729 L752 V756	E720-M725 HydrophobicContact CG-SD 4.48Å; E723-M725 VanDerWaalsContact C-N 3.33Å; E723-M725 PolarHBondContact O-N 3.43Å; M725-R729 WeakPolarHBondContact O-CG 3.28Å; M725-R729 PolarHBondContact O-N 3.36Å; M725-R729 PolarHBondContact O-NE 3.18Å; M725-L752 HydrophobicContact SD-CD1 3.66Å; M725-V756 HydrophobicContact CB-CG2 4.2Å; M725-V756 HydrophobicContact CG-CG2 4.4Å
726	E	84.6	Confident	85.4	Confident	118 Å²	118	54 Å²	54	55%	0.551	26%	0.257	S	S	*	.	H	α-helix	trans	-73.3	-43.8	175.4	-66.4	-64.9	162.3	0	0	111.6	M724 A728 R729 E730	M724-E726 PolarHBondContact O-N 3.08Å; M724-E726 VanDerWaalsContact O-N 3.15Å; E726-A728 VanDerWaalsContact C-N 3.3Å; E726-A728 PolarHBondContact O-N 3.17Å; E726-R729 WeakPolarHBondContact O-CB 3.46Å; E726-R729 PolarHBondContact O-N 3.12Å; E726-R729 VanDerWaalsContact O-N 3.13Å; E726-R729 IonicContact OE1-CZ 2.82Å; E726-R729 IonicContact OE1-NH1 2.66Å; E726-R729 PolarHBondContact OE1-NH1 3.37Å; E726-R729 IonicContact OE1-NH2 2.63Å; E726-R729 PolarHBondContact OE1-NH2 2.92Å; E726-R729 IonicContact OE2-CZ 2.79Å; E726-R729 IonicContact OE2-NE 3.84Å; E726-R729 IonicContact OE2-NH1 2.81Å; E726-R729 PolarHBondContact OE2-NH1 2.96Å; E726-R729 IonicContact OE2-NH2 2.74Å; E726-E730 PolarHBondContact O-N 2.95Å
727	N	85.1	Confident	85.4	Confident	71 Å²	71	62.7 Å²	62.7	38%	0.38	30%	0.295	S	S	.	.	H	α-helix	trans	-65.8	-36	177.5	-66.3	-3.5	0	0	0	111.3	E719 M724 E730 A731	E719-N727 HydrophobicContact CB-CB 4.49Å; E719-N727 HydrophobicContact CG-CB 4.28Å; M724-N727 HydrophobicContact CB-CB 4.27Å; M724-N727 PolarHBondContact O-N 3.28Å; M724-N727 VanDerWaalsContact O-N 3.16Å; N727-E730 PolarHBondContact O-N 3.34Å; N727-A731 WeakPolarHBondContact O-CB 3.43Å; N727-A731 PolarHBondContact O-N 3.39Å
728	A	86.1	Confident	85.4	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.2	-41.5	172.7	0	0	0	0	0	111.9	E719 E720 M724 E726 A731 Y732 L752	E719-A728 HydrophobicContact CB-CB 3.87Å; E720-A728 HydrophobicContact CG-CB 3.97Å; M724-A728 PolarHBondContact O-N 2.78Å; E726-A728 VanDerWaalsContact C-N 3.3Å; E726-A728 PolarHBondContact O-N 3.17Å; A728-A731 PolarHBondContact O-N 3.44Å; A728-Y732 WeakPolarHBondContact O-CD2 3.42Å; A728-Y732 PolarHBondContact O-N 2.75Å; A728-L752 HydrophobicContact CB-CD2 3.72Å
729	R	87.2	Confident	85.3	Confident	35 Å²	35	63.9 Å²	63.9	13%	0.132	30%	0.3	C	S	.	.	H	α-helix	trans	-62.5	-44.4	174.3	-82.1	177.2	-91.4	162.7	-15.1	111.7	M725 E726 N733 L749 L752 E753	M725-R729 WeakPolarHBondContact O-CG 3.28Å; M725-R729 PolarHBondContact O-N 3.36Å; M725-R729 PolarHBondContact O-NE 3.18Å; E726-R729 WeakPolarHBondContact O-CB 3.46Å; E726-R729 PolarHBondContact O-N 3.12Å; E726-R729 VanDerWaalsContact O-N 3.13Å; E726-R729 IonicContact OE1-CZ 2.82Å; E726-R729 IonicContact OE1-NH1 2.66Å; E726-R729 PolarHBondContact OE1-NH1 3.37Å; E726-R729 IonicContact OE1-NH2 2.63Å; E726-R729 PolarHBondContact OE1-NH2 2.92Å; E726-R729 IonicContact OE2-CZ 2.79Å; E726-R729 IonicContact OE2-NE 3.84Å; E726-R729 IonicContact OE2-NH1 2.81Å; E726-R729 PolarHBondContact OE2-NH1 2.96Å; E726-R729 IonicContact OE2-NH2 2.74Å; R729-N733 WeakPolarHBondContact O-CB 3.48Å; R729-N733 PolarHBondContact O-N 3.2Å; R729-L749 HydrophobicContact CG-CD1 4.39Å; R729-L752 HydrophobicContact CB-CD2 4.48Å; R729-L752 HydrophobicContact CG-CD2 3.66Å; R729-L752 HydrophobicContact CG-CG 4.3Å; R729-E753 WeakPolarHBondContact CD-OE1 3.19Å
730	E	89.6	Confident	85.1	Confident	128 Å²	128	65 Å²	65	60%	0.598	31%	0.309	S	S	*	.	H	α-helix	trans	-61.6	-47.5	176	-173.7	176.7	-175.1	0	0	111.4	E726 N727 Y732 N733 Q734	E726-E730 PolarHBondContact O-N 2.95Å; N727-E730 PolarHBondContact O-N 3.34Å; E730-Y732 PolarHBondContact O-N 2.98Å; E730-N733 PolarHBondContact O-N 2.87Å; E730-Q734 VanDerWaalsContact O-CB 3.28Å; E730-Q734 WeakPolarHBondContact O-CB 3.49Å; E730-Q734 PolarHBondContact O-N 3.41Å
731	A	88.6	Confident	85.1	Confident	3 Å²	3	69.7 Å²	69.7	3%	0.025	33%	0.331	C	S	.	.	H	α-helix	trans	-59.6	-46	179	0	0	0	0	0	112.1	W712 K715 N727 A728 G735	W712-A731 VanDerWaalsContact CE3-O 3.23Å; K715-A731 HydrophobicContact CD-CB 4.1Å; K715-A731 HydrophobicContact CG-CB 3.98Å; N727-A731 WeakPolarHBondContact O-CB 3.43Å; N727-A731 PolarHBondContact O-N 3.39Å; A728-A731 PolarHBondContact O-N 3.44Å; A731-G735 PolarHBondContact O-N 2.87Å
732	Y	90.3	Very high	85.3	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-68.1	-40	176.2	-67.4	-33.6	0	0	0	112.6	G716 Q717 E720 A728 E730 G735 L736 L745 L748 L749 L752	G716-Y732 VanDerWaalsContact C-OH 3.23Å; G716-Y732 VanDerWaalsContact CA-CE1 3.45Å; Q717-Y732 PolarHBondContact N-OH 2.72Å; E720-Y732 WeakPolarHBondContact OE1-CE2 3.39Å; E720-Y732 PolarHBondContact OE1-OH 3.36Å; A728-Y732 WeakPolarHBondContact O-CD2 3.42Å; A728-Y732 PolarHBondContact O-N 2.75Å; E730-Y732 PolarHBondContact O-N 2.98Å; Y732-G735 CarbonylContact O-C 3.49Å; Y732-G735 PolarHBondContact O-N 3.33Å; Y732-L736 WeakPolarHBondContact O-CB 3.45Å; Y732-L736 WeakPolarHBondContact O-CG 3.38Å; Y732-L736 PolarHBondContact O-N 3.06Å; Y732-L745 HydrophobicContact CD1-CD1 3.56Å; Y732-L745 HydrophobicContact CE1-CD1 4.21Å; Y732-L745 HydrophobicContact CG-CD1 4.34Å; Y732-L748 HydrophobicContact CE1-CB 4.2Å; Y732-L748 HydrophobicContact CE1-CD2 4.02Å; Y732-L748 HydrophobicContact CE2-CB 4.24Å; Y732-L749 HydrophobicContact CD2-CB 4.33Å; Y732-L749 HydrophobicContact CD2-CD1 4.19Å; Y732-L749 HydrophobicContact CG-CB 4.5Å; Y732-L752 HydrophobicContact CD2-CD2 3.71Å; Y732-L752 HydrophobicContact CE2-CB 4.24Å; Y732-L752 HydrophobicContact CE2-CD2 3.67Å
733	N	90.3	Very high	85.7	Confident	101 Å²	101	63.2 Å²	63.2	54%	0.54	31%	0.306	S	S	.	.	H	α-helix	trans	-67.3	-41.7	179.5	-169.1	17.4	0	0	0	111.7	R729 E730 G735 L736 K737	R729-N733 WeakPolarHBondContact O-CB 3.48Å; R729-N733 PolarHBondContact O-N 3.2Å; E730-N733 PolarHBondContact O-N 2.87Å; N733-G735 VanDerWaalsContact C-N 3.34Å; N733-L736 PolarHBondContact O-N 3.48Å; N733-K737 WeakPolarHBondContact O-CB 3.26Å; N733-K737 PolarHBondContact O-N 3.1Å
734	Q	89	Confident	86.2	Confident	72 Å²	72	57.8 Å²	57.8	34%	0.336	29%	0.285	S	S	.	.	H	α-helix	trans	-62.3	-43.8	172.7	-168.7	179.7	31.5	0	0	110.8	W712 E730 K737 K738	W712-Q734 HydrophobicContact CH2-CB 4.27Å; W712-Q734 HydrophobicContact CH2-CG 3.73Å; W712-Q734 VanDerWaalsContact CH2-OE1 3.29Å; W712-Q734 HydrophobicContact CZ3-CB 3.97Å; W712-Q734 HydrophobicContact CZ3-CG 3.94Å; E730-Q734 VanDerWaalsContact O-CB 3.28Å; E730-Q734 WeakPolarHBondContact O-CB 3.49Å; E730-Q734 PolarHBondContact O-N 3.41Å; Q734-K737 PolarHBondContact O-N 3.3Å; Q734-K738 WeakPolarHBondContact O-CG 3.16Å; Q734-K738 PolarHBondContact O-N 3.43Å; Q734-K738 VanDerWaalsContact O-N 3.12Å
735	G	87.4	Confident	86.6	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-55.8	-51.7	171.9	0	0	0	0	0	111.7	W712 A731 Y732 N733 K737 K738 C739	W712-G735 VanDerWaalsContact CD2-CA 3.42Å; A731-G735 PolarHBondContact O-N 2.87Å; Y732-G735 CarbonylContact O-C 3.49Å; Y732-G735 PolarHBondContact O-N 3.33Å; N733-G735 VanDerWaalsContact C-N 3.34Å; G735-K737 VanDerWaalsContact C-N 3.3Å; G735-K737 PolarHBondContact O-N 3.23Å; G735-K738 CarbonylContact O-C 3.48Å; G735-K738 PolarHBondContact O-N 3Å; G735-C739 PolarHBondContact O-N 3.01Å; G735-C739 PolarHBondContact O-SG 2.64Å
736	L	86.9	Confident	87	Confident	7 Å²	7	52.4 Å²	52.4	4%	0.037	26%	0.258	C	S	.	.	H	α-helix	trans	-65.8	-29.3	-179	-72	172.7	0	0	0	114	Y732 N733 P740 L745 W746 L749	Y732-L736 WeakPolarHBondContact O-CB 3.45Å; Y732-L736 WeakPolarHBondContact O-CG 3.38Å; Y732-L736 PolarHBondContact O-N 3.06Å; N733-L736 PolarHBondContact O-N 3.48Å; L736-P740 WeakPolarHBondContact O-CA 3.45Å; L736-L745 HydrophobicContact CD2-CB 3.92Å; L736-L745 HydrophobicContact CD2-CD2 3.75Å; L736-L745 HydrophobicContact CD2-CG 3.63Å; L736-L745 HydrophobicContact CG-CD2 3.94Å; L736-L745 HydrophobicContact CG-CG 3.88Å; L736-W746 HydrophobicContact CB-CH2 4.34Å; L736-W746 HydrophobicContact CB-CZ2 4.26Å; L736-W746 HydrophobicContact CD1-CD2 3.88Å; L736-W746 HydrophobicContact CD1-CE3 3.56Å; L736-W746 HydrophobicContact CD1-CH2 4.16Å; L736-W746 HydrophobicContact CD1-CZ2 4.45Å; L736-W746 HydrophobicContact CD1-CZ3 3.72Å; L736-W746 HydrophobicContact CD2-CB 4.4Å; L736-W746 HydrophobicContact CD2-CD2 3.43Å; L736-W746 VanDerWaalsContact CD2-CD2 3.43Å; L736-W746 VanDerWaalsContact CD2-CE2 3.42Å; L736-W746 HydrophobicContact CD2-CE3 4.04Å; L736-W746 HydrophobicContact CD2-CG 3.59Å; L736-W746 HydrophobicContact CD2-CH2 4.5Å; L736-W746 HydrophobicContact CD2-CZ2 3.98Å; L736-W746 HydrophobicContact CG-CD2 4.23Å; L736-W746 HydrophobicContact CG-CE3 4.37Å; L736-W746 HydrophobicContact CG-CZ2 4.47Å; L736-L749 HydrophobicContact CD1-CB 4.04Å; L736-L749 HydrophobicContact CD1-CD2 3.31Å; L736-L749 HydrophobicContact CD1-CG 4.3Å
737	K	87.5	Confident	87.3	Confident	182 Å²	182	48.1 Å²	48.1	79%	0.791	24%	0.238	S	C	*	.	H	α-helix	trans	-67.3	-38.4	172.3	-172.6	177.3	-179.8	-178.7	0	111.4	N733 Q734 G735	N733-K737 WeakPolarHBondContact O-CB 3.26Å; N733-K737 PolarHBondContact O-N 3.1Å; Q734-K737 PolarHBondContact O-N 3.3Å; G735-K737 VanDerWaalsContact C-N 3.3Å; G735-K737 PolarHBondContact O-N 3.23Å
738	K	85.7	Confident	87.5	Confident	72 Å²	72	46.1 Å²	46.1	31%	0.313	23%	0.227	S	C	.	.	H	α-helix	trans	-85	-40.4	-178.7	-66.1	-169.8	-177.1	-169.7	0	113.1	E706 W712 Q734 G735 P740	E706-K738 HydrophobicContact CB-CD 4.17Å; E706-K738 IonicContact OE1-NZ 3.97Å; E706-K738 PolarHBondContact OE1-NZ 2.84Å; E706-K738 WeakPolarHBondContact OE2-CE 3.35Å; E706-K738 IonicContact OE2-NZ 3.59Å; E706-K738 PolarHBondContact OE2-NZ 2.65Å; W712-K738 HydrophobicContact CZ2-CD 3.86Å; Q734-K738 WeakPolarHBondContact O-CG 3.16Å; Q734-K738 PolarHBondContact O-N 3.43Å; Q734-K738 VanDerWaalsContact O-N 3.12Å; G735-K738 CarbonylContact O-C 3.48Å; G735-K738 PolarHBondContact O-N 3Å; K738-P740 VanDerWaalsContact C-CD 3.47Å; K738-P740 VanDerWaalsContact O-CD 3.29Å; K738-P740 WeakPolarHBondContact O-CD 3.27Å
739	C	82.7	Confident	87.7	Confident	8 Å²	8	46.3 Å²	46.3	5%	0.054	23%	0.228	C	C	.	.			trans	-120.6	70.8	-179.6	63.9	0	0	0	0	112.2	P709 G735 H741 S742 L745	P709-C739 HydrophobicContact CB-CB 4.26Å; P709-C739 VanDerWaalsContact CB-SG 3.59Å; G735-C739 PolarHBondContact O-N 3.01Å; G735-C739 PolarHBondContact O-SG 2.64Å; C739-H741 VanDerWaalsContact C-N 3.25Å; C739-H741 PolarHBondContact O-N 2.92Å; C739-S742 PolarHBondContact O-N 3.4Å; C739-S742 PolarHBondContact O-OG 2.87Å; C739-L745 WeakPolarHBondContact SG-CD2 3.45Å
740	P	80.6	Confident	87.8	Confident	41 Å²	41	44.6 Å²	44.6	27%	0.266	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-21	-171	27	-35.5	0	0	0	114.3	L736 K738 W746 N773	L736-P740 WeakPolarHBondContact O-CA 3.45Å; K738-P740 VanDerWaalsContact C-CD 3.47Å; K738-P740 VanDerWaalsContact O-CD 3.29Å; K738-P740 WeakPolarHBondContact O-CD 3.27Å; P740-W746 PolarHBondContact O-NE1 3.11Å; P740-N773 PolarHBondContact O-ND2 2.87Å
741	H	84.9	Confident	87.8	Confident	143 Å²	143	42.6 Å²	42.6	66%	0.662	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-4.8	-174	-63.6	-55	0	0	0	115.1	C739 T743 N773	C739-H741 VanDerWaalsContact C-N 3.25Å; C739-H741 PolarHBondContact O-N 2.92Å; H741-T743 PolarHBondContact O-N 3.3Å; H741-N773 WeakPolarHBondContact CA-ND2 3.39Å; H741-N773 WeakPolarHBondContact CA-OD1 3.5Å; H741-N773 PolarHBondContact ND1-OD1 3.29Å
742	S	85.4	Confident	87.8	Confident	18 Å²	18	42.6 Å²	42.6	13%	0.126	21%	0.208	C	C	.	.			trans	-84	104.8	-176.7	66	0	0	0	0	112.2	P709 C739 L745 W746	P709-S742 VanDerWaalsContact CB-CB 3.46Å; P709-S742 WeakPolarHBondContact CB-OG 3.45Å; C739-S742 PolarHBondContact O-N 3.4Å; C739-S742 PolarHBondContact O-OG 2.87Å; S742-L745 PolarHBondContact O-N 2.82Å; S742-L745 WeakPolarHBondContact OG-CB 3.19Å; S742-W746 VanDerWaalsContact O-CD1 3.22Å
743	T	87.7	Confident	87.7	Confident	34 Å²	34	43 Å²	43	21%	0.209	21%	0.21	C	C	.	.	H	α-helix	trans	-58.5	-44.6	178.6	55.9	0	0	0	0	115.6	H741 L745 W746 L747 N776 L779	H741-T743 PolarHBondContact O-N 3.3Å; T743-L745 PolarHBondContact O-N 3.23Å; T743-W746 WeakPolarHBondContact O-CB 3.46Å; T743-W746 PolarHBondContact O-N 2.73Å; T743-W746 VanDerWaalsContact O-N 3.13Å; T743-L747 WeakPolarHBondContact O-CG 3.46Å; T743-L747 PolarHBondContact O-N 3.12Å; T743-L747 VanDerWaalsContact O-N 3.1Å; T743-N776 HydrophobicContact CG2-CB 4.31Å; T743-N776 WeakPolarHBondContact CG2-ND2 3.22Å; T743-L779 HydrophobicContact CG2-CD1 4.04Å; T743-L779 HydrophobicContact CG2-CD2 4.12Å; T743-L779 HydrophobicContact CG2-CG 3.85Å
744	P	88.3	Confident	87.6	Confident	49 Å²	49	40.3 Å²	40.3	32%	0.318	20%	0.195	S	C	.	.	H	α-helix	trans	-65.4	-29.4	-175.3	27.3	-36.1	0	0	0	112.2	M713 L747 L748	M713-P744 HydrophobicContact CE-CB 4.39Å; M713-P744 HydrophobicContact CE-CG 3.92Å; M713-P744 HydrophobicContact SD-CB 3.75Å; M713-P744 HydrophobicContact SD-CG 3.87Å; P744-L747 WeakPolarHBondContact O-CB 3.21Å; P744-L747 PolarHBondContact O-N 3.36Å; P744-L748 WeakPolarHBondContact O-CD1 3.47Å; P744-L748 PolarHBondContact O-N 2.83Å
745	L	89.6	Confident	87.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.9	-39	176.8	-173	62	0	0	0	111.5	W712 M713 Y732 L736 C739 S742 T743 L747 L748 L749	W712-L745 HydrophobicContact CB-CD1 4.22Å; W712-L745 HydrophobicContact CB-CD2 4.2Å; M713-L745 HydrophobicContact CG-CB 4.26Å; M713-L745 HydrophobicContact CG-CD1 3.64Å; Y732-L745 HydrophobicContact CD1-CD1 3.56Å; Y732-L745 HydrophobicContact CE1-CD1 4.21Å; Y732-L745 HydrophobicContact CG-CD1 4.34Å; L736-L745 HydrophobicContact CD2-CB 3.92Å; L736-L745 HydrophobicContact CD2-CD2 3.75Å; L736-L745 HydrophobicContact CD2-CG 3.63Å; L736-L745 HydrophobicContact CG-CD2 3.94Å; L736-L745 HydrophobicContact CG-CG 3.88Å; C739-L745 WeakPolarHBondContact SG-CD2 3.45Å; S742-L745 PolarHBondContact O-N 2.82Å; S742-L745 WeakPolarHBondContact OG-CB 3.19Å; T743-L745 PolarHBondContact O-N 3.23Å; L745-L747 VanDerWaalsContact C-N 3.32Å; L745-L747 PolarHBondContact O-N 3.44Å; L745-L748 PolarHBondContact O-N 3.31Å; L745-L749 PolarHBondContact O-N 3.31Å
746	W	90.8	Very high	87.4	Confident	19 Å²	19	46.5 Å²	46.5	7%	0.072	23%	0.225	C	C	.	.	H	α-helix	trans	-62.8	-38.8	171.3	-72.8	106.8	0	0	0	112	L736 P740 S742 T743 S750 I765 K768 S769 K772 L779	L736-W746 HydrophobicContact CB-CH2 4.34Å; L736-W746 HydrophobicContact CB-CZ2 4.26Å; L736-W746 HydrophobicContact CD1-CD2 3.88Å; L736-W746 HydrophobicContact CD1-CE3 3.56Å; L736-W746 HydrophobicContact CD1-CH2 4.16Å; L736-W746 HydrophobicContact CD1-CZ2 4.45Å; L736-W746 HydrophobicContact CD1-CZ3 3.72Å; L736-W746 HydrophobicContact CD2-CB 4.4Å; L736-W746 HydrophobicContact CD2-CD2 3.43Å; L736-W746 VanDerWaalsContact CD2-CD2 3.43Å; L736-W746 VanDerWaalsContact CD2-CE2 3.42Å; L736-W746 HydrophobicContact CD2-CE3 4.04Å; L736-W746 HydrophobicContact CD2-CG 3.59Å; L736-W746 HydrophobicContact CD2-CH2 4.5Å; L736-W746 HydrophobicContact CD2-CZ2 3.98Å; L736-W746 HydrophobicContact CG-CD2 4.23Å; L736-W746 HydrophobicContact CG-CE3 4.37Å; L736-W746 HydrophobicContact CG-CZ2 4.47Å; P740-W746 PolarHBondContact O-NE1 3.11Å; S742-W746 VanDerWaalsContact O-CD1 3.22Å; T743-W746 WeakPolarHBondContact O-CB 3.46Å; T743-W746 PolarHBondContact O-N 2.73Å; T743-W746 VanDerWaalsContact O-N 3.13Å; W746-S750 WeakPolarHBondContact O-CB 3.31Å; W746-S750 PolarHBondContact O-N 2.97Å; W746-I765 HydrophobicContact CE3-CG2 3.73Å; W746-I765 HydrophobicContact CZ3-CG2 3.91Å; W746-K768 HydrophobicContact CH2-CB 4.38Å; W746-K768 HydrophobicContact CZ3-CB 4.32Å; W746-S769 VanDerWaalsContact CE3-CB 3.43Å; W746-S769 VanDerWaalsContact CG-CB 3.45Å; W746-K772 HydrophobicContact CZ2-CB 4.5Å; W746-K772 HydrophobicContact CZ2-CG 4.42Å; W746-L779 HydrophobicContact CB-CD2 3.8Å; W746-L779 HydrophobicContact CG-CD2 4.44Å
747	L	90.1	Very high	87.2	Confident	28 Å²	28	48.8 Å²	48.8	15%	0.147	25%	0.25	C	S	.	.	H	α-helix	trans	-64.1	-43.9	176.1	-59.2	-178.2	0	0	0	111.7	T743 P744 L745 S750 R751 L779 E782	T743-L747 WeakPolarHBondContact O-CG 3.46Å; T743-L747 PolarHBondContact O-N 3.12Å; T743-L747 VanDerWaalsContact O-N 3.1Å; P744-L747 WeakPolarHBondContact O-CB 3.21Å; P744-L747 PolarHBondContact O-N 3.36Å; L745-L747 VanDerWaalsContact C-N 3.32Å; L745-L747 PolarHBondContact O-N 3.44Å; L747-S750 PolarHBondContact O-N 3.49Å; L747-R751 WeakPolarHBondContact O-CB 3.41Å; L747-R751 VanDerWaalsContact O-CG 3.26Å; L747-R751 WeakPolarHBondContact O-CG 3.4Å; L747-R751 PolarHBondContact O-N 3.25Å; L747-L779 HydrophobicContact CD2-CD2 4.2Å; L747-E782 HydrophobicContact CD2-CB 3.28Å; L747-E782 HydrophobicContact CD2-CG 3.54Å
748	L	89.2	Confident	87.2	Confident	28 Å²	28	44.7 Å²	44.7	15%	0.147	23%	0.234	C	C	.	.	H	α-helix	trans	-63.3	-45.8	178	-90	74.8	0	0	0	111.2	M713 Q717 Y732 P744 L745 S750 R751 L752	M713-L748 HydrophobicContact CB-CD2 4.02Å; M713-L748 HydrophobicContact CG-CD2 4.01Å; M713-L748 HydrophobicContact SD-CD1 4.2Å; M713-L748 HydrophobicContact SD-CD2 4.38Å; Q717-L748 HydrophobicContact CG-CD2 3.91Å; Y732-L748 HydrophobicContact CE1-CB 4.2Å; Y732-L748 HydrophobicContact CE1-CD2 4.02Å; Y732-L748 HydrophobicContact CE2-CB 4.24Å; P744-L748 WeakPolarHBondContact O-CD1 3.47Å; P744-L748 PolarHBondContact O-N 2.83Å; L745-L748 PolarHBondContact O-N 3.31Å; L748-S750 VanDerWaalsContact C-N 3.35Å; L748-S750 PolarHBondContact O-N 3.39Å; L748-R751 PolarHBondContact O-N 2.82Å; L748-L752 WeakPolarHBondContact O-CB 3.48Å; L748-L752 PolarHBondContact O-N 3.12Å
749	L	90.2	Very high	87.4	Confident	4 Å²	4	43.6 Å²	43.6	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-62.7	-42.2	176.2	-178.8	59.9	0	0	0	112	R729 Y732 L736 L745 R751 L752 E753 I765	R729-L749 HydrophobicContact CG-CD1 4.39Å; Y732-L749 HydrophobicContact CD2-CB 4.33Å; Y732-L749 HydrophobicContact CD2-CD1 4.19Å; Y732-L749 HydrophobicContact CG-CB 4.5Å; L736-L749 HydrophobicContact CD1-CB 4.04Å; L736-L749 HydrophobicContact CD1-CD2 3.31Å; L736-L749 HydrophobicContact CD1-CG 4.3Å; L745-L749 PolarHBondContact O-N 3.31Å; L749-R751 PolarHBondContact O-N 3.05Å; L749-L752 PolarHBondContact O-N 3.07Å; L749-E753 HydrophobicContact CD1-CG 4.18Å; L749-E753 WeakPolarHBondContact O-CG 3.07Å; L749-E753 PolarHBondContact O-N 3.07Å; L749-I765 HydrophobicContact CB-CG2 4.4Å; L749-I765 HydrophobicContact CD2-CD1 4.06Å; L749-I765 HydrophobicContact CD2-CG1 4.24Å; L749-I765 HydrophobicContact CD2-CG2 3.74Å; L749-I765 HydrophobicContact CG-CG2 3.98Å
750	S	89.6	Confident	87.7	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.5	-45.3	176.8	-178.7	0	0	0	0	111.9	W746 L747 L748 L752 E753 E754 L766	W746-S750 WeakPolarHBondContact O-CB 3.31Å; W746-S750 PolarHBondContact O-N 2.97Å; L747-S750 PolarHBondContact O-N 3.49Å; L748-S750 VanDerWaalsContact C-N 3.35Å; L748-S750 PolarHBondContact O-N 3.39Å; S750-L752 VanDerWaalsContact C-N 3.35Å; S750-E753 PolarHBondContact O-N 2.75Å; S750-E754 WeakPolarHBondContact O-CB 3.36Å; S750-E754 PolarHBondContact O-N 3.03Å; S750-L766 WeakPolarHBondContact OG-CD1 3.14Å; S750-L766 VanDerWaalsContact OG-CG 3.27Å; S750-L766 WeakPolarHBondContact OG-CG 3.45Å
751	R	88.6	Confident	88.1	Confident	86 Å²	86	51.6 Å²	51.6	33%	0.325	27%	0.265	S	S	.	.	H	α-helix	trans	-68.3	-34.9	179.7	-72.1	170.7	-175.8	-177.6	1.4	112.1	L747 L748 L749 K755 E782 E910	L747-R751 WeakPolarHBondContact O-CB 3.41Å; L747-R751 VanDerWaalsContact O-CG 3.26Å; L747-R751 WeakPolarHBondContact O-CG 3.4Å; L747-R751 PolarHBondContact O-N 3.25Å; L748-R751 PolarHBondContact O-N 2.82Å; L749-R751 PolarHBondContact O-N 3.05Å; R751-K755 WeakPolarHBondContact O-CB 3.29Å; R751-K755 PolarHBondContact O-N 3.45Å; R751-E782 WeakPolarHBondContact CG-OE1 3.4Å; R751-E782 IonicContact CZ-OE1 3.52Å; R751-E782 IonicContact CZ-OE2 2.67Å; R751-E782 IonicContact NE-OE1 2.74Å; R751-E782 PolarHBondContact NE-OE1 2.96Å; R751-E782 IonicContact NE-OE2 3.96Å; R751-E782 IonicContact NH2-OE1 3.01Å; R751-E782 IonicContact NH2-OE2 3.14Å; R751-E782 PolarHBondContact NH2-OE2 3.04Å; R751-E910 IonicContact CZ-OE1 3.78Å; R751-E910 IonicContact NH2-OE1 3.69Å; R751-E910 PolarHBondContact NH2-OE1 2.91Å
752	L	89.6	Confident	88.3	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-63.2	-50.5	174.3	-179.7	61.3	0	0	0	111.1	E720 M725 A728 R729 Y732 L748 L749 S750 E754 K755 V756	E720-L752 HydrophobicContact CG-CD1 3.79Å; M725-L752 HydrophobicContact SD-CD1 3.66Å; A728-L752 HydrophobicContact CB-CD2 3.72Å; R729-L752 HydrophobicContact CB-CD2 4.48Å; R729-L752 HydrophobicContact CG-CD2 3.66Å; R729-L752 HydrophobicContact CG-CG 4.3Å; Y732-L752 HydrophobicContact CD2-CD2 3.71Å; Y732-L752 HydrophobicContact CE2-CB 4.24Å; Y732-L752 HydrophobicContact CE2-CD2 3.67Å; L748-L752 WeakPolarHBondContact O-CB 3.48Å; L748-L752 PolarHBondContact O-N 3.12Å; L749-L752 PolarHBondContact O-N 3.07Å; S750-L752 VanDerWaalsContact C-N 3.35Å; L752-E754 VanDerWaalsContact C-N 3.29Å; L752-E754 PolarHBondContact O-N 3.43Å; L752-K755 WeakPolarHBondContact O-CB 3.42Å; L752-K755 PolarHBondContact O-N 3.33Å; L752-K755 VanDerWaalsContact O-N 3.13Å; L752-V756 HydrophobicContact CD1-CG2 4.42Å; L752-V756 VanDerWaalsContact O-CG2 3.29Å; L752-V756 WeakPolarHBondContact O-CG2 3.46Å; L752-V756 PolarHBondContact O-N 2.95Å
753	E	88.8	Confident	88.5	Confident	10 Å²	10	47.8 Å²	47.8	5%	0.047	24%	0.243	C	C	.	.	H	α-helix	trans	-64.5	-34.2	178.8	-70.5	-72.8	-174.2	0	0	112.4	R729 L749 S750 V756 G757 Q758 R761 A762	R729-E753 WeakPolarHBondContact CD-OE1 3.19Å; L749-E753 HydrophobicContact CD1-CG 4.18Å; L749-E753 WeakPolarHBondContact O-CG 3.07Å; L749-E753 PolarHBondContact O-N 3.07Å; S750-E753 PolarHBondContact O-N 2.75Å; E753-V756 PolarHBondContact O-N 3.33Å; E753-G757 PolarHBondContact O-N 2.89Å; E753-Q758 PolarHBondContact O-N 3.46Å; E753-Q758 VanDerWaalsContact O-N 3.08Å; E753-R761 VanDerWaalsContact CD-CD 3.48Å; E753-R761 WeakPolarHBondContact OE1-CD 3.16Å; E753-R761 WeakPolarHBondContact OE2-CD 3.35Å; E753-A762 HydrophobicContact CB-CB 3.9Å
754	E	87.8	Confident	88.7	Confident	44 Å²	44	48.1 Å²	48.1	21%	0.206	25%	0.249	C	C	.	.	H	α-helix	trans	-64.3	-44.1	171.1	-174.9	-174.1	159.1	0	0	111.8	S750 L752 V756 G757 R789	S750-E754 WeakPolarHBondContact O-CB 3.36Å; S750-E754 PolarHBondContact O-N 3.03Å; L752-E754 VanDerWaalsContact C-N 3.29Å; L752-E754 PolarHBondContact O-N 3.43Å; E754-V756 VanDerWaalsContact C-N 3.31Å; E754-V756 PolarHBondContact O-N 2.95Å; E754-G757 WeakPolarHBondContact O-CA 3.4Å; E754-G757 PolarHBondContact O-N 3.08Å; E754-R789 WeakPolarHBondContact OE1-CD 3.5Å; E754-R789 IonicContact OE1-CZ 2.8Å; E754-R789 IonicContact OE1-NE 3.77Å; E754-R789 IonicContact OE1-NH1 2.83Å; E754-R789 PolarHBondContact OE1-NH1 3.02Å; E754-R789 IonicContact OE2-CZ 3.18Å; E754-R789 IonicContact OE2-NH1 2.74Å; E754-R789 PolarHBondContact OE2-NH1 3.22Å; E754-R789 IonicContact OE2-NH2 2.67Å
755	K	84.3	Confident	88.9	Confident	146 Å²	146	46.8 Å²	46.8	64%	0.635	24%	0.239	S	C	*	.	H	α-helix	trans	-65.1	-34.2	177.7	-171.3	-177	177.8	-173	0	112.3	R751 L752 G757	R751-K755 WeakPolarHBondContact O-CB 3.29Å; R751-K755 PolarHBondContact O-N 3.45Å; L752-K755 WeakPolarHBondContact O-CB 3.42Å; L752-K755 PolarHBondContact O-N 3.33Å; L752-K755 VanDerWaalsContact O-N 3.13Å; K755-G757 PolarHBondContact O-N 2.72Å
756	V	86.4	Confident	88.9	Confident	55 Å²	55	46.9 Å²	46.9	33%	0.333	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-10.4	173.9	176.8	0	0	0	0	111.8	M725 L752 E753 E754	M725-V756 HydrophobicContact CB-CG2 4.2Å; M725-V756 HydrophobicContact CG-CG2 4.4Å; L752-V756 HydrophobicContact CD1-CG2 4.42Å; L752-V756 VanDerWaalsContact O-CG2 3.29Å; L752-V756 WeakPolarHBondContact O-CG2 3.46Å; L752-V756 PolarHBondContact O-N 2.95Å; E753-V756 PolarHBondContact O-N 3.33Å; E754-V756 VanDerWaalsContact C-N 3.31Å; E754-V756 PolarHBondContact O-N 2.95Å
757	G	83.8	Confident	88.8	Confident	56 Å²	56	51.3 Å²	51.3	58%	0.577	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.5	1.1	174	0	0	0	0	0	114.9	E753 E754 K755 L759	E753-G757 PolarHBondContact O-N 2.89Å; E754-G757 WeakPolarHBondContact O-CA 3.4Å; E754-G757 PolarHBondContact O-N 3.08Å; K755-G757 PolarHBondContact O-N 2.72Å; G757-L759 PolarHBondContact O-N 3.38Å
758	Q	87.3	Confident	88.8	Confident	96 Å²	96	56 Å²	56	45%	0.449	28%	0.28	S	S	.	.			trans	-91.5	71.5	179.8	-69	-65.8	-18.4	0	0	111.4	E753 T760 R761 A762	E753-Q758 PolarHBondContact O-N 3.46Å; E753-Q758 VanDerWaalsContact O-N 3.08Å; Q758-T760 VanDerWaalsContact C-N 3.31Å; Q758-T760 PolarHBondContact O-N 2.89Å; Q758-R761 HydrophobicContact CB-CB 4.12Å; Q758-R761 PolarHBondContact O-N 2.95Å; Q758-R761 VanDerWaalsContact O-N 3.15Å; Q758-A762 PolarHBondContact O-N 3.03Å; Q758-A762 VanDerWaalsContact O-N 3.08Å
759	L	89.6	Confident	88.8	Confident	49 Å²	49	54.6 Å²	54.6	26%	0.257	27%	0.273	S	S	.	.	H	α-helix	trans	-60.9	-35.2	-174.4	-168.8	130.5	0	0	0	114	G757 R761 A762 R763 L786 A790	G757-L759 PolarHBondContact O-N 3.38Å; L759-R761 VanDerWaalsContact C-N 3.34Å; L759-A762 PolarHBondContact O-N 3.16Å; L759-R763 PolarHBondContact O-N 3.3Å; L759-L786 HydrophobicContact CD1-CD2 4.27Å; L759-L786 HydrophobicContact CD2-CD2 4.1Å; L759-L786 HydrophobicContact CG-CD2 4Å; L759-A790 HydrophobicContact CD1-CB 3.57Å; L759-A790 HydrophobicContact CD2-CB 4.21Å
760	T	89.9	Confident	88.6	Confident	93 Å²	93	56.3 Å²	56.3	57%	0.571	28%	0.279	S	S	*	.	H	α-helix	trans	-65.9	-38	178	54.1	0	0	0	0	111.9	Q758 R763 A764	Q758-T760 VanDerWaalsContact C-N 3.31Å; Q758-T760 PolarHBondContact O-N 2.89Å; T760-R763 PolarHBondContact O-N 3.15Å; T760-A764 PolarHBondContact O-N 3.38Å
761	R	89.2	Confident	88.6	Confident	123 Å²	123	63.2 Å²	63.2	46%	0.464	32%	0.315	S	S	.	.	H	α-helix	trans	-68.9	-43.8	175.3	-173.8	176.9	-74.5	170	-2.3	110.6	E753 Q758 L759 R763 A764 I765	E753-R761 VanDerWaalsContact CD-CD 3.48Å; E753-R761 WeakPolarHBondContact OE1-CD 3.16Å; E753-R761 WeakPolarHBondContact OE2-CD 3.35Å; Q758-R761 HydrophobicContact CB-CB 4.12Å; Q758-R761 PolarHBondContact O-N 2.95Å; Q758-R761 VanDerWaalsContact O-N 3.15Å; L759-R761 VanDerWaalsContact C-N 3.34Å; R761-R763 VanDerWaalsContact C-N 3.31Å; R761-R763 PolarHBondContact O-N 3.25Å; R761-A764 WeakPolarHBondContact O-CB 3.31Å; R761-A764 PolarHBondContact O-N 3.43Å; R761-A764 VanDerWaalsContact O-N 3.1Å; R761-I765 HydrophobicContact CG-CG1 4.49Å; R761-I765 WeakPolarHBondContact O-CG1 3.35Å; R761-I765 PolarHBondContact O-N 2.84Å
762	A	89.3	Confident	88.6	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-57.5	-43.1	174.5	0	0	0	0	0	111.9	E753 Q758 L759 A764 I765 L766 L786	E753-A762 HydrophobicContact CB-CB 3.9Å; Q758-A762 PolarHBondContact O-N 3.03Å; Q758-A762 VanDerWaalsContact O-N 3.08Å; L759-A762 PolarHBondContact O-N 3.16Å; A762-A764 PolarHBondContact O-N 3.04Å; A762-I765 PolarHBondContact O-N 3.48Å; A762-L766 PolarHBondContact O-N 3.15Å; A762-L786 HydrophobicContact CB-CD1 3.66Å
763	R	89.6	Confident	88.3	Confident	82 Å²	82	66.2 Å²	66.2	31%	0.309	33%	0.331	S	S	.	.	H	α-helix	trans	-59.2	-46.1	172.5	-173.7	-174.7	-66.9	143.5	-1	112.2	L759 T760 R761 I765 L766 E767 E787	L759-R763 PolarHBondContact O-N 3.3Å; T760-R763 PolarHBondContact O-N 3.15Å; R761-R763 VanDerWaalsContact C-N 3.31Å; R761-R763 PolarHBondContact O-N 3.25Å; R763-I765 VanDerWaalsContact C-N 3.33Å; R763-I765 PolarHBondContact O-N 3.19Å; R763-L766 PolarHBondContact O-N 3.21Å; R763-E767 WeakPolarHBondContact O-CB 3.48Å; R763-E767 PolarHBondContact O-N 3.02Å; R763-E787 IonicContact CZ-OE1 2.68Å; R763-E787 IonicContact CZ-OE2 3.07Å; R763-E787 IonicContact NE-OE1 2.75Å; R763-E787 PolarHBondContact NE-OE1 2.78Å; R763-E787 IonicContact NE-OE2 2.84Å; R763-E787 IonicContact NH2-OE1 2.83Å; R763-E787 PolarHBondContact NH2-OE1 3Å; R763-E787 IonicContact NH2-OE2 3.16Å; R763-E787 PolarHBondContact NH2-OE2 2.86Å
764	A	91.9	Very high	88	Confident	41 Å²	41	70.1 Å²	70.1	34%	0.339	36%	0.357	S	S	.	.	H	α-helix	trans	-63.9	-37.2	178.1	0	0	0	0	0	112.5	T760 R761 A762 K768	T760-A764 PolarHBondContact O-N 3.38Å; R761-A764 WeakPolarHBondContact O-CB 3.31Å; R761-A764 PolarHBondContact O-N 3.43Å; R761-A764 VanDerWaalsContact O-N 3.1Å; A762-A764 PolarHBondContact O-N 3.04Å; A764-K768 WeakPolarHBondContact O-CB 3.5Å; A764-K768 VanDerWaalsContact O-CG 3.29Å; A764-K768 WeakPolarHBondContact O-CG 3.32Å; A764-K768 PolarHBondContact O-N 3.41Å
765	I	91.3	Very high	87.8	Confident	21 Å²	21	75.1 Å²	75.1	11%	0.108	38%	0.378	C	S	.	.	H	α-helix	trans	-65.7	-45.7	174.3	-68	-57.7	0	0	0	110.7	W746 L749 R761 A762 R763 E767 K768 S769	W746-I765 HydrophobicContact CE3-CG2 3.73Å; W746-I765 HydrophobicContact CZ3-CG2 3.91Å; L749-I765 HydrophobicContact CB-CG2 4.4Å; L749-I765 HydrophobicContact CD2-CD1 4.06Å; L749-I765 HydrophobicContact CD2-CG1 4.24Å; L749-I765 HydrophobicContact CD2-CG2 3.74Å; L749-I765 HydrophobicContact CG-CG2 3.98Å; R761-I765 HydrophobicContact CG-CG1 4.49Å; R761-I765 WeakPolarHBondContact O-CG1 3.35Å; R761-I765 PolarHBondContact O-N 2.84Å; A762-I765 PolarHBondContact O-N 3.48Å; R763-I765 VanDerWaalsContact C-N 3.33Å; R763-I765 PolarHBondContact O-N 3.19Å; I765-E767 VanDerWaalsContact C-N 3.34Å; I765-E767 PolarHBondContact O-N 3.24Å; I765-K768 PolarHBondContact O-N 3.22Å; I765-S769 WeakPolarHBondContact O-CB 3.27Å; I765-S769 PolarHBondContact O-N 3.25Å
766	L	89.8	Confident	88	Confident	2 Å²	2	70.7 Å²	70.7	1%	0.01	36%	0.362	C	S	.	.	H	α-helix	trans	-65.4	-37.4	176.2	-73.9	-178.1	0	0	0	112.3	S750 A762 R763 S769 R770 E782 L786	S750-L766 WeakPolarHBondContact OG-CD1 3.14Å; S750-L766 VanDerWaalsContact OG-CG 3.27Å; S750-L766 WeakPolarHBondContact OG-CG 3.45Å; A762-L766 PolarHBondContact O-N 3.15Å; R763-L766 PolarHBondContact O-N 3.21Å; L766-S769 WeakPolarHBondContact CA-OG 3.22Å; L766-S769 WeakPolarHBondContact O-CB 3.34Å; L766-S769 PolarHBondContact O-N 2.87Å; L766-S769 PolarHBondContact O-OG 3.25Å; L766-R770 WeakPolarHBondContact O-CG 3.45Å; L766-R770 PolarHBondContact O-N 2.86Å; L766-E782 HydrophobicContact CD1-CB 4.41Å; L766-E782 HydrophobicContact CD1-CG 4.1Å; L766-E782 HydrophobicContact CD2-CB 4.38Å; L766-E782 HydrophobicContact CD2-CG 4.24Å; L766-L786 HydrophobicContact CD1-CB 4.25Å; L766-L786 HydrophobicContact CD1-CD1 3.75Å
767	E	89.7	Confident	88	Confident	112 Å²	112	69.7 Å²	69.7	52%	0.523	36%	0.356	S	S	.	.	H	α-helix	trans	-65.6	-43.2	175.4	-171	166	-156.6	0	0	111.9	R763 I765 S769 R770 L771	R763-E767 WeakPolarHBondContact O-CB 3.48Å; R763-E767 PolarHBondContact O-N 3.02Å; I765-E767 VanDerWaalsContact C-N 3.34Å; I765-E767 PolarHBondContact O-N 3.24Å; E767-S769 VanDerWaalsContact C-N 3.28Å; E767-S769 PolarHBondContact O-N 2.86Å; E767-R770 PolarHBondContact O-N 3.44Å; E767-L771 PolarHBondContact O-N 2.97Å
768	K	89.9	Confident	88.2	Confident	125 Å²	125	67.7 Å²	67.7	54%	0.543	34%	0.336	S	S	.	.	H	α-helix	trans	-57.7	-41.5	169.4	-76.1	176.1	-175.8	179.7	0	111.6	W746 A764 I765 R770 L771 K772	W746-K768 HydrophobicContact CH2-CB 4.38Å; W746-K768 HydrophobicContact CZ3-CB 4.32Å; A764-K768 WeakPolarHBondContact O-CB 3.5Å; A764-K768 VanDerWaalsContact O-CG 3.29Å; A764-K768 WeakPolarHBondContact O-CG 3.32Å; A764-K768 PolarHBondContact O-N 3.41Å; I765-K768 PolarHBondContact O-N 3.22Å; K768-R770 PolarHBondContact O-N 3.47Å; K768-L771 PolarHBondContact O-N 3.21Å; K768-K772 WeakPolarHBondContact O-CB 3.4Å; K768-K772 WeakPolarHBondContact O-CG 3.33Å; K768-K772 PolarHBondContact O-N 2.93Å
769	S	88.4	Confident	88.3	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-62.5	-42.1	178.3	83.3	0	0	0	0	112	W746 I765 L766 E767 L771 K772 N773	W746-S769 VanDerWaalsContact CE3-CB 3.43Å; W746-S769 VanDerWaalsContact CG-CB 3.45Å; I765-S769 WeakPolarHBondContact O-CB 3.27Å; I765-S769 PolarHBondContact O-N 3.25Å; L766-S769 WeakPolarHBondContact CA-OG 3.22Å; L766-S769 WeakPolarHBondContact O-CB 3.34Å; L766-S769 PolarHBondContact O-N 2.87Å; L766-S769 PolarHBondContact O-OG 3.25Å; E767-S769 VanDerWaalsContact C-N 3.28Å; E767-S769 PolarHBondContact O-N 2.86Å; S769-L771 VanDerWaalsContact C-N 3.34Å; S769-K772 PolarHBondContact O-N 3.02Å; S769-N773 PolarHBondContact O-N 3Å
770	R	86.4	Confident	88.4	Confident	39 Å²	39	61.6 Å²	61.6	15%	0.147	31%	0.305	C	S	.	.	H	α-helix	trans	-68	-34.1	177.3	-69.1	-174.5	-53.2	-155.5	4	112	L766 E767 K768 N773 P774 L779 W780 S783	L766-R770 WeakPolarHBondContact O-CG 3.45Å; L766-R770 PolarHBondContact O-N 2.86Å; E767-R770 PolarHBondContact O-N 3.44Å; K768-R770 PolarHBondContact O-N 3.47Å; R770-N773 CarbonylContact O-C 3.57Å; R770-N773 VanDerWaalsContact O-C 3.29Å; R770-P774 VanDerWaalsContact O-CA 3.25Å; R770-P774 WeakPolarHBondContact O-CA 3.47Å; R770-L779 HydrophobicContact CG-CB 4.23Å; R770-W780 VanDerWaalsContact NH1-CZ3 3.3Å; R770-S783 PolarHBondContact NH1-OG 3.33Å
771	L	90.1	Very high	88.5	Confident	145 Å²	145	57.5 Å²	57.5	76%	0.759	28%	0.28	S	S	*	.	H	α-helix	trans	-70.9	-40.7	175.6	-173.5	65.2	0	0	0	111.7	E767 K768 S769	E767-L771 PolarHBondContact O-N 2.97Å; K768-L771 PolarHBondContact O-N 3.21Å; S769-L771 VanDerWaalsContact C-N 3.34Å
772	K	86.8	Confident	88.5	Confident	135 Å²	135	51.7 Å²	51.7	59%	0.587	26%	0.258	S	S	*	.	H	α-helix	trans	-73.1	-36.6	178.5	-71.4	-65.8	-173.8	-179.9	0	112.8	W746 K768 S769 P774	W746-K772 HydrophobicContact CZ2-CB 4.5Å; W746-K772 HydrophobicContact CZ2-CG 4.42Å; K768-K772 WeakPolarHBondContact O-CB 3.4Å; K768-K772 WeakPolarHBondContact O-CG 3.33Å; K768-K772 PolarHBondContact O-N 2.93Å; S769-K772 PolarHBondContact O-N 3.02Å; K772-P774 WeakPolarHBondContact O-CD 3.15Å
773	N	84.4	Confident	88.6	Confident	16 Å²	16	52 Å²	52	9%	0.086	26%	0.26	C	S	.	.	S	Bend	trans	-121.8	77.1	176.6	-63.7	-37.4	0	0	0	109.7	P740 H741 S769 R770 L779	P740-N773 PolarHBondContact O-ND2 2.87Å; H741-N773 WeakPolarHBondContact CA-ND2 3.39Å; H741-N773 WeakPolarHBondContact CA-OD1 3.5Å; H741-N773 PolarHBondContact ND1-OD1 3.29Å; S769-N773 PolarHBondContact O-N 3Å; R770-N773 CarbonylContact O-C 3.57Å; R770-N773 VanDerWaalsContact O-C 3.29Å; N773-L779 HydrophobicContact CB-CD1 3.79Å
774	P	82.8	Confident	88.7	Confident	92 Å²	92	48 Å²	48	60%	0.597	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	149.7	179.7	26.8	-34	0	0	0	110.8	R770 K772 N776	R770-P774 VanDerWaalsContact O-CA 3.25Å; R770-P774 WeakPolarHBondContact O-CA 3.47Å; K772-P774 WeakPolarHBondContact O-CD 3.15Å; P774-N776 VanDerWaalsContact C-N 3.27Å; P774-N776 PolarHBondContact O-N 3.13Å
775	K	82.9	Confident	88.6	Confident	149 Å²	149	48.9 Å²	48.9	65%	0.648	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.9	14.5	173.4	-52.9	178.1	179.2	-179.9	0	116.6
776	N	87.8	Confident	88.6	Confident	54 Å²	54	47.9 Å²	47.9	29%	0.289	23%	0.234	S	C	.	.			trans	-85.7	122.8	174.3	-166.4	-49.9	0	0	0	111.8	T743 P774 G778 L779 W780	T743-N776 HydrophobicContact CG2-CB 4.31Å; T743-N776 WeakPolarHBondContact CG2-ND2 3.22Å; P774-N776 VanDerWaalsContact C-N 3.27Å; P774-N776 PolarHBondContact O-N 3.13Å; N776-G778 VanDerWaalsContact C-N 3.34Å; N776-G778 PolarHBondContact O-N 3.39Å; N776-G778 PolarHBondContact OD1-N 2.98Å; N776-L779 HydrophobicContact CB-CD1 4.37Å; N776-W780 PolarHBondContact O-N 3.42Å
777	P	87.3	Confident	88.6	Confident	33 Å²	33	48 Å²	48	21%	0.214	24%	0.235	C	C	.	.	H	α-helix	trans	-69.4	-26.4	-176.5	28.5	-36.3	0	0	0	114.3	L779 W780 L781 S810 I812 L813	P777-L779 PolarHBondContact O-N 3.12Å; P777-W780 PolarHBondContact O-N 2.9Å; P777-L781 VanDerWaalsContact O-CB 3.26Å; P777-L781 WeakPolarHBondContact O-CB 3.21Å; P777-L781 PolarHBondContact O-N 2.87Å; P777-S810 WeakPolarHBondContact CB-OG 3.27Å; P777-S810 WeakPolarHBondContact CG-OG 3.33Å; P777-I812 HydrophobicContact CB-CD1 3.87Å; P777-I812 HydrophobicContact CB-CG1 3.98Å; P777-I812 HydrophobicContact CG-CD1 4.06Å; P777-I812 HydrophobicContact CG-CG1 4.4Å; P777-L813 HydrophobicContact CB-CD1 3.7Å; P777-L813 HydrophobicContact CB-CG 3.9Å
778	G	87.9	Confident	88.6	Confident	15 Å²	15	46.2 Å²	46.2	16%	0.155	22%	0.224	C	C	.	.	H	α-helix	trans	-66.4	-37.5	-179.6	0	0	0	0	0	113	N776 E782	N776-G778 VanDerWaalsContact C-N 3.34Å; N776-G778 PolarHBondContact O-N 3.39Å; N776-G778 PolarHBondContact OD1-N 2.98Å; G778-E782 PolarHBondContact O-N 2.98Å
779	L	90.3	Very high	88.6	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-74.3	-39.5	177.3	-61	176.5	0	0	0	111.6	T743 W746 L747 R770 N773 N776 P777 E782 S783	T743-L779 HydrophobicContact CG2-CD1 4.04Å; T743-L779 HydrophobicContact CG2-CD2 4.12Å; T743-L779 HydrophobicContact CG2-CG 3.85Å; W746-L779 HydrophobicContact CB-CD2 3.8Å; W746-L779 HydrophobicContact CG-CD2 4.44Å; L747-L779 HydrophobicContact CD2-CD2 4.2Å; R770-L779 HydrophobicContact CG-CB 4.23Å; N773-L779 HydrophobicContact CB-CD1 3.79Å; N776-L779 HydrophobicContact CB-CD1 4.37Å; P777-L779 PolarHBondContact O-N 3.12Å; L779-E782 PolarHBondContact O-N 3.2Å; L779-S783 PolarHBondContact O-N 3.31Å
780	W	91.6	Very high	88.5	Confident	15 Å²	15	47.6 Å²	47.6	6%	0.057	24%	0.235	C	C	.	.	H	α-helix	trans	-59.7	-46.6	173.1	-85.9	116.4	0	0	0	111.6	R770 N776 P777 E782 S783 V784 L799 K802 A803 E806 L813	R770-W780 VanDerWaalsContact NH1-CZ3 3.3Å; N776-W780 PolarHBondContact O-N 3.42Å; P777-W780 PolarHBondContact O-N 2.9Å; W780-E782 PolarHBondContact O-N 2.91Å; W780-S783 PolarHBondContact O-N 2.73Å; W780-S783 PolarHBondContact O-OG 3.23Å; W780-V784 WeakPolarHBondContact O-CG2 3.43Å; W780-V784 PolarHBondContact O-N 3.41Å; W780-L799 HydrophobicContact CZ3-CD2 4.19Å; W780-K802 HydrophobicContact CH2-CB 4.05Å; W780-K802 HydrophobicContact CZ3-CB 4.19Å; W780-A803 HydrophobicContact CB-CB 3.73Å; W780-A803 HydrophobicContact CD2-CB 3.69Å; W780-A803 HydrophobicContact CE3-CB 3.72Å; W780-A803 HydrophobicContact CG-CB 3.71Å; W780-E806 WeakPolarHBondContact CZ2-OE1 3.5Å; W780-E806 VanDerWaalsContact CZ2-OE2 3.3Å; W780-E806 WeakPolarHBondContact CZ2-OE2 3.42Å; W780-E806 PolarHBondContact NE1-OE2 3.25Å; W780-L813 HydrophobicContact CB-CD1 4.38Å; W780-L813 HydrophobicContact CB-CD2 3.93Å
781	L	91.6	Very high	88.5	Confident	8 Å²	8	48.1 Å²	48.1	4%	0.042	25%	0.252	C	S	.	.	H	α-helix	trans	-60.8	-44.2	179	180	152.1	0	0	0	112.1	P777 S783 V784 R785 I812 L813 E816	P777-L781 VanDerWaalsContact O-CB 3.26Å; P777-L781 WeakPolarHBondContact O-CB 3.21Å; P777-L781 PolarHBondContact O-N 2.87Å; L781-S783 VanDerWaalsContact C-N 3.34Å; L781-S783 PolarHBondContact O-N 3.05Å; L781-V784 WeakPolarHBondContact O-CB 3.44Å; L781-V784 PolarHBondContact O-N 3.47Å; L781-R785 HydrophobicContact CD2-CG 4.29Å; L781-R785 VanDerWaalsContact CD2-CZ 3.42Å; L781-R785 WeakPolarHBondContact O-CG 3.2Å; L781-R785 PolarHBondContact O-N 3.35Å; L781-I812 HydrophobicContact CD1-CB 3.76Å; L781-I812 HydrophobicContact CD1-CD1 4.24Å; L781-I812 HydrophobicContact CD1-CG1 4.18Å; L781-I812 WeakPolarHBondContact CD1-O 3.45Å; L781-L813 HydrophobicContact CB-CD2 3.86Å; L781-E816 HydrophobicContact CD1-CB 4.43Å
782	E	89.6	Confident	88.6	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-65.3	-38.5	176.8	-168.5	69.4	-168.3	0	0	111.9	L747 R751 L766 G778 L779 W780 V784 R785 L786 R789	L747-E782 HydrophobicContact CD2-CB 3.28Å; L747-E782 HydrophobicContact CD2-CG 3.54Å; R751-E782 WeakPolarHBondContact CG-OE1 3.4Å; R751-E782 IonicContact CZ-OE1 3.52Å; R751-E782 IonicContact CZ-OE2 2.67Å; R751-E782 IonicContact NE-OE1 2.74Å; R751-E782 PolarHBondContact NE-OE1 2.96Å; R751-E782 IonicContact NE-OE2 3.96Å; R751-E782 IonicContact NH2-OE1 3.01Å; R751-E782 IonicContact NH2-OE2 3.14Å; R751-E782 PolarHBondContact NH2-OE2 3.04Å; L766-E782 HydrophobicContact CD1-CB 4.41Å; L766-E782 HydrophobicContact CD1-CG 4.1Å; L766-E782 HydrophobicContact CD2-CB 4.38Å; L766-E782 HydrophobicContact CD2-CG 4.24Å; G778-E782 PolarHBondContact O-N 2.98Å; L779-E782 PolarHBondContact O-N 3.2Å; W780-E782 PolarHBondContact O-N 2.91Å; E782-V784 VanDerWaalsContact C-N 3.3Å; E782-V784 PolarHBondContact O-N 2.82Å; E782-R785 PolarHBondContact O-N 3.31Å; E782-L786 WeakPolarHBondContact O-CB 3.45Å; E782-L786 PolarHBondContact O-N 3.1Å; E782-R789 IonicContact OE1-CZ 3.76Å; E782-R789 IonicContact OE1-NH1 2.68Å; E782-R789 IonicContact OE1-NH2 3.34Å; E782-R789 PolarHBondContact OE1-NH2 3.44Å; E782-R789 IonicContact OE2-NH2 2.81Å
783	S	89.7	Confident	88.7	Confident	5 Å²	5	43.9 Å²	43.9	4%	0.035	23%	0.231	C	C	.	.	H	α-helix	trans	-61.9	-40.1	176.6	73.4	0	0	0	0	112.1	R770 L779 W780 L781 E787	R770-S783 PolarHBondContact NH1-OG 3.33Å; L779-S783 PolarHBondContact O-N 3.31Å; W780-S783 PolarHBondContact O-N 2.73Å; W780-S783 PolarHBondContact O-OG 3.23Å; L781-S783 VanDerWaalsContact C-N 3.34Å; L781-S783 PolarHBondContact O-N 3.05Å; S783-E787 WeakPolarHBondContact O-CG 3.44Å; S783-E787 PolarHBondContact O-N 3.3Å
784	V	92.1	Very high	89	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.1	-46.7	173.8	168	0	0	0	0	110.7	W780 L781 E782 L786 E787 Y788 A796 L799 M800 E816 L820	W780-V784 WeakPolarHBondContact O-CG2 3.43Å; W780-V784 PolarHBondContact O-N 3.41Å; L781-V784 WeakPolarHBondContact O-CB 3.44Å; L781-V784 PolarHBondContact O-N 3.47Å; E782-V784 VanDerWaalsContact C-N 3.3Å; E782-V784 PolarHBondContact O-N 2.82Å; V784-L786 VanDerWaalsContact C-N 3.32Å; V784-L786 PolarHBondContact O-N 2.81Å; V784-E787 PolarHBondContact O-N 2.92Å; V784-Y788 WeakPolarHBondContact O-CB 3.48Å; V784-Y788 PolarHBondContact O-N 2.74Å; V784-A796 HydrophobicContact CG1-CB 4.31Å; V784-L799 HydrophobicContact CG2-CB 4.05Å; V784-M800 HydrophobicContact CB-CE 4.28Å; V784-M800 HydrophobicContact CG1-CE 3.78Å; V784-M800 HydrophobicContact CG2-CB 4.12Å; V784-M800 HydrophobicContact CG2-CE 4.03Å; V784-E816 HydrophobicContact CG1-CG 4.36Å; V784-L820 HydrophobicContact CG1-CD1 3.41Å; V784-L820 VanDerWaalsContact CG1-CD1 3.41Å; V784-L820 HydrophobicContact CG1-CD2 4.43Å; V784-L820 HydrophobicContact CG1-CG 4.45Å
785	R	89.8	Confident	89.4	Confident	58 Å²	58	48.8 Å²	48.8	22%	0.219	25%	0.251	C	S	.	.	H	α-helix	trans	-66.3	-33.1	-179.5	-75	-172.2	178.4	162.1	6.2	113.2	L781 E782 Y788 R789 E816 E910	L781-R785 HydrophobicContact CD2-CG 4.29Å; L781-R785 VanDerWaalsContact CD2-CZ 3.42Å; L781-R785 WeakPolarHBondContact O-CG 3.2Å; L781-R785 PolarHBondContact O-N 3.35Å; E782-R785 PolarHBondContact O-N 3.31Å; R785-Y788 PolarHBondContact O-N 3.27Å; R785-R789 WeakPolarHBondContact O-CB 3.22Å; R785-R789 WeakPolarHBondContact O-CG 3.44Å; R785-R789 PolarHBondContact O-N 3.46Å; R785-R789 PolarHBondContact O-NE 3.35Å; R785-E816 IonicContact CZ-OE2 3.45Å; R785-E816 VanDerWaalsContact CZ-OE2 3.32Å; R785-E816 IonicContact NE-OE1 3.76Å; R785-E816 IonicContact NE-OE2 2.81Å; R785-E816 PolarHBondContact NE-OE2 3.37Å; R785-E816 IonicContact NH2-OE2 3.35Å; R785-E816 PolarHBondContact NH2-OE2 3.36Å; R785-E910 IonicContact CZ-OE2 3.36Å; R785-E910 IonicContact NH1-OE1 3.64Å; R785-E910 PolarHBondContact NH1-OE1 3.12Å; R785-E910 IonicContact NH1-OE2 3.83Å; R785-E910 PolarHBondContact NH1-OE2 2.9Å; R785-E910 IonicContact NH2-OE2 3.48Å
786	L	91.6	Very high	89.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-49.9	174.9	-177.2	153.4	0	0	0	110.1	L759 A762 L766 E782 V784 Y788 R789 A790	L759-L786 HydrophobicContact CD1-CD2 4.27Å; L759-L786 HydrophobicContact CD2-CD2 4.1Å; L759-L786 HydrophobicContact CG-CD2 4Å; A762-L786 HydrophobicContact CB-CD1 3.66Å; L766-L786 HydrophobicContact CD1-CB 4.25Å; L766-L786 HydrophobicContact CD1-CD1 3.75Å; E782-L786 WeakPolarHBondContact O-CB 3.45Å; E782-L786 PolarHBondContact O-N 3.1Å; V784-L786 VanDerWaalsContact C-N 3.32Å; V784-L786 PolarHBondContact O-N 2.81Å; L786-Y788 VanDerWaalsContact C-N 3.3Å; L786-Y788 PolarHBondContact O-N 3.47Å; L786-R789 PolarHBondContact O-N 3.49Å; L786-A790 WeakPolarHBondContact O-CB 3.49Å; L786-A790 PolarHBondContact O-N 3.44Å
787	E	90.3	Very high	90.1	Very high	5 Å²	5	41.9 Å²	41.9	2%	0.023	22%	0.221	C	C	.	.	H	α-helix	trans	-64.8	-35.6	176.5	-61.3	-50.6	154.4	0	0	112.4	R763 S783 V784 A790 G791 L792 I795 A796 L799	R763-E787 IonicContact CZ-OE1 2.68Å; R763-E787 IonicContact CZ-OE2 3.07Å; R763-E787 IonicContact NE-OE1 2.75Å; R763-E787 PolarHBondContact NE-OE1 2.78Å; R763-E787 IonicContact NE-OE2 2.84Å; R763-E787 IonicContact NH2-OE1 2.83Å; R763-E787 PolarHBondContact NH2-OE1 3Å; R763-E787 IonicContact NH2-OE2 3.16Å; R763-E787 PolarHBondContact NH2-OE2 2.86Å; S783-E787 WeakPolarHBondContact O-CG 3.44Å; S783-E787 PolarHBondContact O-N 3.3Å; V784-E787 PolarHBondContact O-N 2.92Å; E787-A790 WeakPolarHBondContact O-CB 3.38Å; E787-A790 PolarHBondContact O-N 2.9Å; E787-G791 PolarHBondContact O-N 3.41Å; E787-L792 HydrophobicContact CB-CB 4.46Å; E787-L792 PolarHBondContact O-N 3.49Å; E787-L792 WeakPolarHBondContact OE2-CD1 3.45Å; E787-I795 HydrophobicContact CG-CG2 4.13Å; E787-A796 HydrophobicContact CB-CB 3.92Å; E787-L799 HydrophobicContact CG-CD1 3.63Å
788	Y	89.9	Confident	90.4	Very high	75 Å²	75	44.2 Å²	44.2	29%	0.294	24%	0.235	S	C	.	.	H	α-helix	trans	-65.6	-43.2	176.1	-171.9	-100.5	0	0	0	111.9	V784 R785 L786 A790 G791 K793 F819 L820	V784-Y788 WeakPolarHBondContact O-CB 3.48Å; V784-Y788 PolarHBondContact O-N 2.74Å; R785-Y788 PolarHBondContact O-N 3.27Å; L786-Y788 VanDerWaalsContact C-N 3.3Å; L786-Y788 PolarHBondContact O-N 3.47Å; Y788-A790 VanDerWaalsContact C-N 3.32Å; Y788-A790 PolarHBondContact O-N 3.13Å; Y788-G791 PolarHBondContact O-N 3.29Å; Y788-G791 VanDerWaalsContact O-N 3.1Å; Y788-K793 HydrophobicContact CD2-CG 4.14Å; Y788-K793 HydrophobicContact CE2-CD 4.35Å; Y788-K793 HydrophobicContact CE2-CG 4.1Å; Y788-F819 AromaticContact CE1-CE1 3.98Å; Y788-F819 HydrophobicContact CE1-CE1 3.98Å; Y788-F819 AromaticContact CZ-CE1 3.99Å; Y788-L820 HydrophobicContact CD2-CD2 3.42Å; Y788-L820 VanDerWaalsContact CD2-CD2 3.42Å; Y788-L820 HydrophobicContact CE2-CD2 3.87Å; Y788-L820 HydrophobicContact CG-CD2 4.02Å
789	R	88.3	Confident	90.5	Very high	113 Å²	113	44.6 Å²	44.6	43%	0.426	23%	0.233	S	C	.	.	H	α-helix	trans	-65.7	-33.5	174.7	-80.4	178.9	-90.8	156.1	-7.1	112.5	E754 E782 R785 L786 G791	E754-R789 WeakPolarHBondContact OE1-CD 3.5Å; E754-R789 IonicContact OE1-CZ 2.8Å; E754-R789 IonicContact OE1-NE 3.77Å; E754-R789 IonicContact OE1-NH1 2.83Å; E754-R789 PolarHBondContact OE1-NH1 3.02Å; E754-R789 IonicContact OE2-CZ 3.18Å; E754-R789 IonicContact OE2-NH1 2.74Å; E754-R789 PolarHBondContact OE2-NH1 3.22Å; E754-R789 IonicContact OE2-NH2 2.67Å; E782-R789 IonicContact OE1-CZ 3.76Å; E782-R789 IonicContact OE1-NH1 2.68Å; E782-R789 IonicContact OE1-NH2 3.34Å; E782-R789 PolarHBondContact OE1-NH2 3.44Å; E782-R789 IonicContact OE2-NH2 2.81Å; R785-R789 WeakPolarHBondContact O-CB 3.22Å; R785-R789 WeakPolarHBondContact O-CG 3.44Å; R785-R789 PolarHBondContact O-N 3.46Å; R785-R789 PolarHBondContact O-NE 3.35Å; L786-R789 PolarHBondContact O-N 3.49Å; R789-G791 PolarHBondContact O-N 3.42Å
790	A	86.6	Confident	90.6	Very high	41 Å²	41	44.8 Å²	44.8	34%	0.339	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-10.5	172.4	0	0	0	0	0	114	L759 L786 E787 Y788 L792	L759-A790 HydrophobicContact CD1-CB 3.57Å; L759-A790 HydrophobicContact CD2-CB 4.21Å; L786-A790 WeakPolarHBondContact O-CB 3.49Å; L786-A790 PolarHBondContact O-N 3.44Å; E787-A790 WeakPolarHBondContact O-CB 3.38Å; E787-A790 PolarHBondContact O-N 2.9Å; Y788-A790 VanDerWaalsContact C-N 3.32Å; Y788-A790 PolarHBondContact O-N 3.13Å; A790-L792 VanDerWaalsContact C-N 3.34Å; A790-L792 HydrophobicContact CB-CD1 4.27Å; A790-L792 HydrophobicContact CB-CG 4.39Å
791	G	87	Confident	90.6	Very high	50 Å²	50	46.6 Å²	46.6	52%	0.515	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	-0.6	-174.7	0	0	0	0	0	114.7	E787 Y788 R789 K793	E787-G791 PolarHBondContact O-N 3.41Å; Y788-G791 PolarHBondContact O-N 3.29Å; Y788-G791 VanDerWaalsContact O-N 3.1Å; R789-G791 PolarHBondContact O-N 3.42Å; G791-K793 VanDerWaalsContact C-N 3.27Å; G791-K793 PolarHBondContact O-N 2.83Å
792	L	92	Very high	90.6	Very high	73 Å²	73	51.8 Å²	51.8	38%	0.382	28%	0.275	S	S	.	.			trans	-84.3	61.5	-178.4	-64.4	168.1	0	0	0	111.7	E787 A790 N794 I795 A796	E787-L792 HydrophobicContact CB-CB 4.46Å; E787-L792 PolarHBondContact O-N 3.49Å; E787-L792 WeakPolarHBondContact OE2-CD1 3.45Å; A790-L792 VanDerWaalsContact C-N 3.34Å; A790-L792 HydrophobicContact CB-CD1 4.27Å; A790-L792 HydrophobicContact CB-CG 4.39Å; L792-N794 VanDerWaalsContact C-N 3.29Å; L792-N794 PolarHBondContact O-N 3.43Å; L792-I795 HydrophobicContact CB-CB 4.31Å; L792-I795 HydrophobicContact CB-CD1 4.27Å; L792-I795 HydrophobicContact CB-CG1 4.41Å; L792-I795 HydrophobicContact CD1-CD1 4.25Å; L792-I795 HydrophobicContact CD2-CD1 4.34Å; L792-I795 PolarHBondContact O-N 3.44Å; L792-I795 VanDerWaalsContact O-N 3.14Å; L792-A796 PolarHBondContact O-N 3.07Å
793	K	89.6	Confident	90.8	Very high	118 Å²	118	51.8 Å²	51.8	51%	0.513	28%	0.275	S	S	.	.	H	α-helix	trans	-57.5	-36.5	-174	-62.9	-179.4	-177.2	176.6	0	114	Y788 G791 A796 N797	Y788-K793 HydrophobicContact CD2-CG 4.14Å; Y788-K793 HydrophobicContact CE2-CD 4.35Å; Y788-K793 HydrophobicContact CE2-CG 4.1Å; G791-K793 VanDerWaalsContact C-N 3.27Å; G791-K793 PolarHBondContact O-N 2.83Å; K793-A796 PolarHBondContact O-N 2.98Å; K793-N797 PolarHBondContact O-N 3.31Å
794	N	91.1	Very high	90.8	Very high	136 Å²	136	52.4 Å²	52.4	73%	0.727	28%	0.278	S	S	*	.	H	α-helix	trans	-67.2	-39.6	-179.5	-62.1	-16	0	0	0	111.7	L792 N797 T798	L792-N794 VanDerWaalsContact C-N 3.29Å; L792-N794 PolarHBondContact O-N 3.43Å; N794-N797 PolarHBondContact O-N 3.02Å; N794-T798 PolarHBondContact O-N 3.42Å; N794-T798 PolarHBondContact O-OG1 2.87Å
795	I	91.1	Very high	90.7	Very high	75 Å²	75	60.2 Å²	60.2	39%	0.385	31%	0.314	S	S	.	.	H	α-helix	trans	-70.8	-40.8	177	-55.4	-177.6	0	0	0	109.4	E787 L792 N797 T798 L799	E787-I795 HydrophobicContact CG-CG2 4.13Å; L792-I795 HydrophobicContact CB-CB 4.31Å; L792-I795 HydrophobicContact CB-CD1 4.27Å; L792-I795 HydrophobicContact CB-CG1 4.41Å; L792-I795 HydrophobicContact CD1-CD1 4.25Å; L792-I795 HydrophobicContact CD2-CD1 4.34Å; L792-I795 PolarHBondContact O-N 3.44Å; L792-I795 VanDerWaalsContact O-N 3.14Å; I795-N797 VanDerWaalsContact C-N 3.34Å; I795-N797 PolarHBondContact O-N 2.88Å; I795-T798 VanDerWaalsContact CA-OG1 3.3Å; I795-T798 WeakPolarHBondContact CA-OG1 3.34Å; I795-T798 PolarHBondContact O-N 3.2Å; I795-T798 PolarHBondContact O-OG1 3.11Å; I795-T798 VanDerWaalsContact O-OG1 3.06Å; I795-L799 HydrophobicContact CG2-CD1 4.16Å; I795-L799 HydrophobicContact CG2-CG 4.24Å; I795-L799 WeakPolarHBondContact O-CB 3.44Å; I795-L799 VanDerWaalsContact O-CG 3.31Å; I795-L799 WeakPolarHBondContact O-CG 3.48Å; I795-L799 PolarHBondContact O-N 3.42Å
796	A	92.2	Very high	90.5	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-57.5	-45	173.8	0	0	0	0	0	112.1	V784 E787 L792 K793 L799 M800	V784-A796 HydrophobicContact CG1-CB 4.31Å; E787-A796 HydrophobicContact CB-CB 3.92Å; L792-A796 PolarHBondContact O-N 3.07Å; K793-A796 PolarHBondContact O-N 2.98Å; A796-L799 PolarHBondContact O-N 3.46Å; A796-M800 WeakPolarHBondContact O-CB 3.19Å; A796-M800 PolarHBondContact O-N 3.06Å
797	N	91.6	Very high	90.2	Very high	57 Å²	57	62.7 Å²	62.7	31%	0.305	33%	0.33	S	S	.	.	H	α-helix	trans	-65.8	-39.9	177.3	-89.6	-24.4	0	0	0	113.1	K793 N794 I795 M800 A801 L820	K793-N797 PolarHBondContact O-N 3.31Å; N794-N797 PolarHBondContact O-N 3.02Å; I795-N797 VanDerWaalsContact C-N 3.34Å; I795-N797 PolarHBondContact O-N 2.88Å; N797-M800 PolarHBondContact O-N 3.49Å; N797-A801 PolarHBondContact O-N 3.21Å; N797-L820 WeakPolarHBondContact OD1-CB 3.37Å
798	T	94.6	Very high	90.1	Very high	83 Å²	83	64.9 Å²	64.9	51%	0.509	34%	0.344	S	S	.	.	H	α-helix	trans	-70.1	-37	176	32.1	0	0	0	0	112.3	N794 I795 M800 A801 K802	N794-T798 PolarHBondContact O-N 3.42Å; N794-T798 PolarHBondContact O-OG1 2.87Å; I795-T798 VanDerWaalsContact CA-OG1 3.3Å; I795-T798 WeakPolarHBondContact CA-OG1 3.34Å; I795-T798 PolarHBondContact O-N 3.2Å; I795-T798 PolarHBondContact O-OG1 3.11Å; I795-T798 VanDerWaalsContact O-OG1 3.06Å; T798-M800 VanDerWaalsContact C-N 3.35Å; T798-A801 PolarHBondContact O-N 2.78Å; T798-K802 WeakPolarHBondContact O-CG 3.48Å; T798-K802 PolarHBondContact O-N 2.94Å; T798-K802 VanDerWaalsContact O-N 3.08Å
799	L	90.9	Very high	89.9	Confident	22 Å²	22	66.9 Å²	66.9	12%	0.115	36%	0.36	C	S	.	.	H	α-helix	trans	-65.4	-38.3	171.2	-71.6	179.7	0	0	0	111.7	W780 V784 E787 I795 A796 A801 K802 A803	W780-L799 HydrophobicContact CZ3-CD2 4.19Å; V784-L799 HydrophobicContact CG2-CB 4.05Å; E787-L799 HydrophobicContact CG-CD1 3.63Å; I795-L799 HydrophobicContact CG2-CD1 4.16Å; I795-L799 HydrophobicContact CG2-CG 4.24Å; I795-L799 WeakPolarHBondContact O-CB 3.44Å; I795-L799 VanDerWaalsContact O-CG 3.31Å; I795-L799 WeakPolarHBondContact O-CG 3.48Å; I795-L799 PolarHBondContact O-N 3.42Å; A796-L799 PolarHBondContact O-N 3.46Å; L799-A801 VanDerWaalsContact C-N 3.35Å; L799-K802 PolarHBondContact O-N 3.35Å; L799-A803 WeakPolarHBondContact O-CB 3.44Å; L799-A803 PolarHBondContact O-N 3.38Å
800	M	92.3	Very high	90	Very high	6 Å²	6	62.2 Å²	62.2	3%	0.03	35%	0.345	C	S	.	.	H	α-helix	trans	-63.4	-41.7	174.4	-179.1	56.5	74.7	0	0	111.3	V784 A796 N797 T798 K802 A803 L804 L813 E816 A817 L820	V784-M800 HydrophobicContact CB-CE 4.28Å; V784-M800 HydrophobicContact CG1-CE 3.78Å; V784-M800 HydrophobicContact CG2-CB 4.12Å; V784-M800 HydrophobicContact CG2-CE 4.03Å; A796-M800 WeakPolarHBondContact O-CB 3.19Å; A796-M800 PolarHBondContact O-N 3.06Å; N797-M800 PolarHBondContact O-N 3.49Å; T798-M800 VanDerWaalsContact C-N 3.35Å; M800-K802 VanDerWaalsContact C-N 3.34Å; M800-K802 PolarHBondContact O-N 3.11Å; M800-A803 WeakPolarHBondContact O-CB 3.24Å; M800-A803 PolarHBondContact O-N 3.24Å; M800-L804 HydrophobicContact CG-CD1 4.21Å; M800-L804 HydrophobicContact CG-CG 4.46Å; M800-L804 WeakPolarHBondContact O-CG 3.33Å; M800-L804 PolarHBondContact O-N 3.36Å; M800-L804 HydrophobicContact SD-CD1 4.3Å; M800-L804 HydrophobicContact SD-CG 4.06Å; M800-L813 HydrophobicContact CE-CD2 4.26Å; M800-L813 HydrophobicContact SD-CB 4.23Å; M800-L813 HydrophobicContact SD-CD2 4.16Å; M800-E816 HydrophobicContact CE-CB 3.7Å; M800-E816 HydrophobicContact CE-CG 3.82Å; M800-A817 HydrophobicContact CE-CB 4.36Å; M800-A817 HydrophobicContact CG-CB 3.76Å; M800-A817 HydrophobicContact SD-CB 3.9Å; M800-L820 HydrophobicContact CB-CD1 3.98Å; M800-L820 HydrophobicContact CE-CD1 3.77Å; M800-L820 HydrophobicContact CG-CD1 4.1Å
801	A	91.6	Very high	90	Very high	53 Å²	53	60.4 Å²	60.4	44%	0.438	33%	0.33	S	S	.	.	H	α-helix	trans	-60.5	-43.6	174.9	0	0	0	0	0	111.8	N797 T798 L799 L804 Q805	N797-A801 PolarHBondContact O-N 3.21Å; T798-A801 PolarHBondContact O-N 2.78Å; L799-A801 VanDerWaalsContact C-N 3.35Å; A801-L804 PolarHBondContact O-N 3.16Å; A801-Q805 WeakPolarHBondContact O-CG 3.18Å; A801-Q805 PolarHBondContact O-N 3Å
802	K	91.8	Very high	90.1	Very high	117 Å²	117	60 Å²	60	51%	0.509	32%	0.316	S	S	.	.	H	α-helix	trans	-62.7	-43	173.9	-70.5	178.5	179.3	-177.3	0	112	W780 T798 L799 M800 L804 Q805 E806	W780-K802 HydrophobicContact CH2-CB 4.05Å; W780-K802 HydrophobicContact CZ3-CB 4.19Å; T798-K802 WeakPolarHBondContact O-CG 3.48Å; T798-K802 PolarHBondContact O-N 2.94Å; T798-K802 VanDerWaalsContact O-N 3.08Å; L799-K802 PolarHBondContact O-N 3.35Å; M800-K802 VanDerWaalsContact C-N 3.34Å; M800-K802 PolarHBondContact O-N 3.11Å; K802-L804 PolarHBondContact O-N 3.38Å; K802-Q805 WeakPolarHBondContact O-CB 3.38Å; K802-Q805 PolarHBondContact O-N 2.91Å; K802-E806 PolarHBondContact O-N 3.34Å; K802-E806 VanDerWaalsContact O-N 3.15Å
803	A	91.9	Very high	90.1	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.4	-46.7	177.2	0	0	0	0	0	111.6	W780 L799 M800 Q805 E806 C807 L813	W780-A803 HydrophobicContact CB-CB 3.73Å; W780-A803 HydrophobicContact CD2-CB 3.69Å; W780-A803 HydrophobicContact CE3-CB 3.72Å; W780-A803 HydrophobicContact CG-CB 3.71Å; L799-A803 WeakPolarHBondContact O-CB 3.44Å; L799-A803 PolarHBondContact O-N 3.38Å; M800-A803 WeakPolarHBondContact O-CB 3.24Å; M800-A803 PolarHBondContact O-N 3.24Å; A803-Q805 VanDerWaalsContact C-N 3.29Å; A803-Q805 PolarHBondContact O-N 3.11Å; A803-E806 PolarHBondContact O-N 2.85Å; A803-C807 PolarHBondContact O-N 2.96Å; A803-C807 PolarHBondContact O-SG 3.31Å; A803-L813 HydrophobicContact CB-CD1 3.9Å; A803-L813 HydrophobicContact CB-CD2 4.04Å
804	L	90.2	Very high	90.3	Very high	19 Å²	19	51.9 Å²	51.9	10%	0.099	28%	0.277	C	S	.	.	H	α-helix	trans	-68.8	-24.8	178.3	-68	176.4	0	0	0	113.3	M800 A801 K802 P808 L813 W814 A817	M800-L804 HydrophobicContact CG-CD1 4.21Å; M800-L804 HydrophobicContact CG-CG 4.46Å; M800-L804 WeakPolarHBondContact O-CG 3.33Å; M800-L804 PolarHBondContact O-N 3.36Å; M800-L804 HydrophobicContact SD-CD1 4.3Å; M800-L804 HydrophobicContact SD-CG 4.06Å; A801-L804 PolarHBondContact O-N 3.16Å; K802-L804 PolarHBondContact O-N 3.38Å; L804-P808 VanDerWaalsContact O-CA 3.3Å; L804-P808 WeakPolarHBondContact O-CA 3.5Å; L804-P808 WeakPolarHBondContact O-CB 3.21Å; L804-L813 HydrophobicContact CD2-CB 3.9Å; L804-W814 HydrophobicContact CD1-CD2 4.47Å; L804-W814 HydrophobicContact CD1-CE3 4.32Å; L804-W814 HydrophobicContact CD1-CH2 4.25Å; L804-W814 HydrophobicContact CD1-CZ2 4.36Å; L804-W814 HydrophobicContact CD1-CZ3 4.24Å; L804-W814 HydrophobicContact CD2-CD2 3.91Å; L804-W814 HydrophobicContact CD2-CG 4.11Å; L804-W814 HydrophobicContact CD2-CZ2 4.2Å; L804-A817 HydrophobicContact CD1-CB 4.02Å
805	Q	89.9	Confident	90.3	Very high	163 Å²	163	46 Å²	46	76%	0.762	25%	0.247	S	C	*	.	H	α-helix	trans	-69.3	-42.3	171.5	-77.8	-175.8	-17.7	0	0	111.8	A801 K802 A803	A801-Q805 WeakPolarHBondContact O-CG 3.18Å; A801-Q805 PolarHBondContact O-N 3Å; K802-Q805 WeakPolarHBondContact O-CB 3.38Å; K802-Q805 PolarHBondContact O-N 2.91Å; A803-Q805 VanDerWaalsContact C-N 3.29Å; A803-Q805 PolarHBondContact O-N 3.11Å
806	E	86.8	Confident	90.2	Very high	93 Å²	93	43.3 Å²	43.3	44%	0.435	23%	0.232	S	C	.	.	H	α-helix	trans	-77.3	-36.1	-179.6	-68.5	-177.3	-172.4	0	0	113.1	W780 K802 A803	W780-E806 WeakPolarHBondContact CZ2-OE1 3.5Å; W780-E806 VanDerWaalsContact CZ2-OE2 3.3Å; W780-E806 WeakPolarHBondContact CZ2-OE2 3.42Å; W780-E806 PolarHBondContact NE1-OE2 3.25Å; K802-E806 PolarHBondContact O-N 3.34Å; K802-E806 VanDerWaalsContact O-N 3.15Å; A803-E806 PolarHBondContact O-N 2.85Å
807	C	85.3	Confident	90.3	Very high	17 Å²	17	43.4 Å²	43.4	12%	0.115	23%	0.233	C	C	.	.			trans	-135.4	79.6	-178.8	50	0	0	0	0	111.7	A803 N809 L813	A803-C807 PolarHBondContact O-N 2.96Å; A803-C807 PolarHBondContact O-SG 3.31Å; C807-N809 VanDerWaalsContact C-N 3.31Å; C807-N809 PolarHBondContact O-N 2.77Å; C807-L813 WeakPolarHBondContact SG-CD1 3.38Å
808	P	86.7	Confident	90.3	Very high	51 Å²	51	40.9 Å²	40.9	33%	0.331	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-16.3	-174.6	28.8	-36	0	0	0	114.3	L804 W814	L804-P808 VanDerWaalsContact O-CA 3.3Å; L804-P808 WeakPolarHBondContact O-CA 3.5Å; L804-P808 WeakPolarHBondContact O-CB 3.21Å; P808-W814 PolarHBondContact O-NE1 3.47Å
809	N	87.4	Confident	90.1	Very high	117 Å²	117	39.8 Å²	39.8	63%	0.626	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.9	16.8	-175.2	-60.7	-9.3	0	0	0	112.7	C807	C807-N809 VanDerWaalsContact C-N 3.31Å; C807-N809 PolarHBondContact O-N 2.77Å
810	S	88.6	Confident	90	Very high	16 Å²	16	39.6 Å²	39.6	11%	0.112	21%	0.207	C	C	.	.			trans	-91.8	115.3	-177	176	0	0	0	0	112.2	P777 I812 L813 W814	P777-S810 WeakPolarHBondContact CB-OG 3.27Å; P777-S810 WeakPolarHBondContact CG-OG 3.33Å; S810-I812 PolarHBondContact O-N 2.77Å; S810-I812 WeakPolarHBondContact OG-CG1 3.36Å; S810-L813 PolarHBondContact O-N 3.26Å; S810-W814 PolarHBondContact O-N 3.1Å
811	G	87.6	Confident	89.9	Confident	2 Å²	2	41.7 Å²	41.7	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-65.3	-36.8	-179.2	0	0	0	0	0	114.8	L813 W814 S815 D840	G811-L813 VanDerWaalsContact C-N 3.34Å; G811-L813 PolarHBondContact O-N 2.99Å; G811-W814 PolarHBondContact O-N 2.77Å; G811-S815 WeakPolarHBondContact O-CB 3.48Å; G811-S815 PolarHBondContact O-N 3.35Å; G811-D840 VanDerWaalsContact CA-CG 3.48Å; G811-D840 WeakPolarHBondContact CA-OD1 3.38Å; G811-D840 WeakPolarHBondContact CA-OD2 3.31Å
812	I	89.5	Confident	89.8	Confident	43 Å²	43	41.6 Å²	41.6	22%	0.221	22%	0.215	C	C	.	.	H	α-helix	trans	-63.5	-39.1	178.7	57.1	171.5	0	0	0	112.1	P777 L781 S810 S815 E816 H842	P777-I812 HydrophobicContact CB-CD1 3.87Å; P777-I812 HydrophobicContact CB-CG1 3.98Å; P777-I812 HydrophobicContact CG-CD1 4.06Å; P777-I812 HydrophobicContact CG-CG1 4.4Å; L781-I812 HydrophobicContact CD1-CB 3.76Å; L781-I812 HydrophobicContact CD1-CD1 4.24Å; L781-I812 HydrophobicContact CD1-CG1 4.18Å; L781-I812 WeakPolarHBondContact CD1-O 3.45Å; S810-I812 PolarHBondContact O-N 2.77Å; S810-I812 WeakPolarHBondContact OG-CG1 3.36Å; I812-S815 PolarHBondContact O-N 3.4Å; I812-S815 PolarHBondContact O-OG 3.04Å; I812-E816 PolarHBondContact O-N 3.2Å; I812-H842 HydrophobicContact CG2-CB 4.31Å
813	L	92.1	Very high	89.6	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-71	-42.3	177.9	-72.7	174.1	0	0	0	111.7	P777 W780 L781 M800 A803 L804 C807 S810 G811 S815 E816 A817	P777-L813 HydrophobicContact CB-CD1 3.7Å; P777-L813 HydrophobicContact CB-CG 3.9Å; W780-L813 HydrophobicContact CB-CD1 4.38Å; W780-L813 HydrophobicContact CB-CD2 3.93Å; L781-L813 HydrophobicContact CB-CD2 3.86Å; M800-L813 HydrophobicContact CE-CD2 4.26Å; M800-L813 HydrophobicContact SD-CB 4.23Å; M800-L813 HydrophobicContact SD-CD2 4.16Å; A803-L813 HydrophobicContact CB-CD1 3.9Å; A803-L813 HydrophobicContact CB-CD2 4.04Å; L804-L813 HydrophobicContact CD2-CB 3.9Å; C807-L813 WeakPolarHBondContact SG-CD1 3.38Å; S810-L813 PolarHBondContact O-N 3.26Å; G811-L813 VanDerWaalsContact C-N 3.34Å; G811-L813 PolarHBondContact O-N 2.99Å; L813-S815 VanDerWaalsContact C-N 3.31Å; L813-S815 PolarHBondContact O-N 3.14Å; L813-E816 PolarHBondContact O-N 2.95Å; L813-A817 WeakPolarHBondContact O-CB 3.33Å; L813-A817 PolarHBondContact O-N 2.86Å
814	W	93.1	Very high	89.5	Confident	20 Å²	20	48.3 Å²	48.3	8%	0.076	25%	0.252	C	S	.	.	H	α-helix	trans	-62.7	-39	174.1	-80.7	111.3	0	0	0	112.5	L804 P808 S810 G811 E816 A817 I818 K829 D832 A833 K836 C837 V843	L804-W814 HydrophobicContact CD1-CD2 4.47Å; L804-W814 HydrophobicContact CD1-CE3 4.32Å; L804-W814 HydrophobicContact CD1-CH2 4.25Å; L804-W814 HydrophobicContact CD1-CZ2 4.36Å; L804-W814 HydrophobicContact CD1-CZ3 4.24Å; L804-W814 HydrophobicContact CD2-CD2 3.91Å; L804-W814 HydrophobicContact CD2-CG 4.11Å; L804-W814 HydrophobicContact CD2-CZ2 4.2Å; P808-W814 PolarHBondContact O-NE1 3.47Å; S810-W814 PolarHBondContact O-N 3.1Å; G811-W814 PolarHBondContact O-N 2.77Å; W814-E816 VanDerWaalsContact C-N 3.27Å; W814-E816 PolarHBondContact O-N 3.28Å; W814-A817 PolarHBondContact O-N 3.14Å; W814-I818 WeakPolarHBondContact O-CD1 3.3Å; W814-I818 VanDerWaalsContact O-CG1 3.24Å; W814-I818 WeakPolarHBondContact O-CG1 3.43Å; W814-I818 PolarHBondContact O-N 3.12Å; W814-K829 HydrophobicContact CZ3-CD 3.98Å; W814-K829 HydrophobicContact CZ3-CG 4.44Å; W814-D832 HydrophobicContact CH2-CB 4.33Å; W814-D832 HydrophobicContact CZ3-CB 4.19Å; W814-A833 HydrophobicContact CB-CB 3.83Å; W814-A833 HydrophobicContact CD2-CB 3.88Å; W814-A833 HydrophobicContact CE3-CB 3.63Å; W814-A833 HydrophobicContact CG-CB 3.98Å; W814-A833 HydrophobicContact CZ3-CB 4.42Å; W814-K836 HydrophobicContact CZ2-CB 4.22Å; W814-K836 HydrophobicContact CZ2-CG 3.83Å; W814-C837 VanDerWaalsContact CD1-SG 3.52Å; W814-V843 HydrophobicContact CB-CG2 3.88Å
815	S	90.8	Very high	89.6	Confident	13 Å²	13	52.2 Å²	52.2	9%	0.091	27%	0.269	C	S	.	.	H	α-helix	trans	-60	-38.9	177	81.9	0	0	0	0	112.2	G811 I812 L813 H842	G811-S815 WeakPolarHBondContact O-CB 3.48Å; G811-S815 PolarHBondContact O-N 3.35Å; I812-S815 PolarHBondContact O-N 3.4Å; I812-S815 PolarHBondContact O-OG 3.04Å; L813-S815 VanDerWaalsContact C-N 3.31Å; L813-S815 PolarHBondContact O-N 3.14Å; S815-H842 WeakPolarHBondContact CB-O 3.37Å
816	E	90.3	Very high	89.6	Confident	18 Å²	18	46 Å²	46	8%	0.084	24%	0.239	C	C	.	.	H	α-helix	trans	-78	-37.8	176.9	-167	69.4	-139.7	0	0	111.3	L781 V784 R785 M800 I812 L813 W814 I818 F819 L820	L781-E816 HydrophobicContact CD1-CB 4.43Å; V784-E816 HydrophobicContact CG1-CG 4.36Å; R785-E816 IonicContact CZ-OE2 3.45Å; R785-E816 VanDerWaalsContact CZ-OE2 3.32Å; R785-E816 IonicContact NE-OE1 3.76Å; R785-E816 IonicContact NE-OE2 2.81Å; R785-E816 PolarHBondContact NE-OE2 3.37Å; R785-E816 IonicContact NH2-OE2 3.35Å; R785-E816 PolarHBondContact NH2-OE2 3.36Å; M800-E816 HydrophobicContact CE-CB 3.7Å; M800-E816 HydrophobicContact CE-CG 3.82Å; I812-E816 PolarHBondContact O-N 3.2Å; L813-E816 PolarHBondContact O-N 2.95Å; W814-E816 VanDerWaalsContact C-N 3.27Å; W814-E816 PolarHBondContact O-N 3.28Å; E816-I818 VanDerWaalsContact C-N 3.31Å; E816-I818 PolarHBondContact O-N 3.02Å; E816-F819 WeakPolarHBondContact O-CA 3.47Å; E816-F819 WeakPolarHBondContact O-CB 3.39Å; E816-F819 PolarHBondContact O-N 3.07Å; E816-L820 HydrophobicContact CG-CD1 4.38Å; E816-L820 WeakPolarHBondContact O-CG 3.23Å; E816-L820 PolarHBondContact O-N 3.05Å
817	A	92.6	Very high	89.8	Confident	2 Å²	2	49.3 Å²	49.3	2%	0.017	25%	0.247	C	C	.	.	H	α-helix	trans	-59.9	-40.6	175.5	0	0	0	0	0	111.8	M800 L804 L813 W814 F819 L820 E821	M800-A817 HydrophobicContact CE-CB 4.36Å; M800-A817 HydrophobicContact CG-CB 3.76Å; M800-A817 HydrophobicContact SD-CB 3.9Å; L804-A817 HydrophobicContact CD1-CB 4.02Å; L813-A817 WeakPolarHBondContact O-CB 3.33Å; L813-A817 PolarHBondContact O-N 2.86Å; W814-A817 PolarHBondContact O-N 3.14Å; A817-F819 PolarHBondContact O-N 3.47Å; A817-L820 PolarHBondContact O-N 2.88Å; A817-E821 WeakPolarHBondContact O-CG 3.18Å; A817-E821 PolarHBondContact O-N 3.45Å
818	I	91.9	Very high	90.2	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-60	-36.4	173.7	-66.5	161.2	0	0	0	110.8	W814 E816 R826 K829 A833 A846 L850	W814-I818 WeakPolarHBondContact O-CD1 3.3Å; W814-I818 VanDerWaalsContact O-CG1 3.24Å; W814-I818 WeakPolarHBondContact O-CG1 3.43Å; W814-I818 PolarHBondContact O-N 3.12Å; E816-I818 VanDerWaalsContact C-N 3.31Å; E816-I818 PolarHBondContact O-N 3.02Å; I818-R826 HydrophobicContact CG2-CB 4.26Å; I818-R826 WeakPolarHBondContact O-CD 3.47Å; I818-R826 WeakPolarHBondContact O-CG 3.3Å; I818-R826 PolarHBondContact O-NE 3.31Å; I818-K829 HydrophobicContact CG1-CG 4.34Å; I818-A833 HydrophobicContact CD1-CB 3.85Å; I818-A833 HydrophobicContact CG1-CB 4.4Å; I818-A846 HydrophobicContact CB-CB 4.5Å; I818-A846 HydrophobicContact CD1-CB 3.76Å; I818-L850 HydrophobicContact CG2-CD1 4.02Å
819	F	90.2	Very high	90.5	Very high	60 Å²	60	52.5 Å²	52.5	26%	0.263	26%	0.262	S	S	.	.	H	α-helix	trans	-75.2	-38.7	-179.7	-179.7	-106.5	0	0	0	112.8	Y788 E816 A817 R826	Y788-F819 AromaticContact CE1-CE1 3.98Å; Y788-F819 HydrophobicContact CE1-CE1 3.98Å; Y788-F819 AromaticContact CZ-CE1 3.99Å; E816-F819 WeakPolarHBondContact O-CA 3.47Å; E816-F819 WeakPolarHBondContact O-CB 3.39Å; E816-F819 PolarHBondContact O-N 3.07Å; A817-F819 PolarHBondContact O-N 3.47Å; F819-R826 PolarHBondContact O-NE 3.45Å; F819-R826 PolarHBondContact O-NH2 3.34Å
820	L	89.5	Confident	90.7	Very high	18 Å²	18	47.3 Å²	47.3	9%	0.094	23%	0.234	C	C	.	.	H	α-helix	trans	-68.8	-31.3	-179.3	-69	169.8	0	0	0	113.8	V784 Y788 N797 M800 E816 A817	V784-L820 HydrophobicContact CG1-CD1 3.41Å; V784-L820 VanDerWaalsContact CG1-CD1 3.41Å; V784-L820 HydrophobicContact CG1-CD2 4.43Å; V784-L820 HydrophobicContact CG1-CG 4.45Å; Y788-L820 HydrophobicContact CD2-CD2 3.42Å; Y788-L820 VanDerWaalsContact CD2-CD2 3.42Å; Y788-L820 HydrophobicContact CE2-CD2 3.87Å; Y788-L820 HydrophobicContact CG-CD2 4.02Å; N797-L820 WeakPolarHBondContact OD1-CB 3.37Å; M800-L820 HydrophobicContact CB-CD1 3.98Å; M800-L820 HydrophobicContact CE-CD1 3.77Å; M800-L820 HydrophobicContact CG-CD1 4.1Å; E816-L820 HydrophobicContact CG-CD1 4.38Å; E816-L820 WeakPolarHBondContact O-CG 3.23Å; E816-L820 PolarHBondContact O-N 3.05Å; A817-L820 PolarHBondContact O-N 2.88Å
821	E	89.4	Confident	90.9	Very high	49 Å²	49	50.6 Å²	50.6	23%	0.229	25%	0.254	C	S	.	.	S	Bend	trans	-63.6	152.9	176.7	-69.3	-70.4	-174.6	0	0	111.7	A817 Q825 R826 K829	A817-E821 WeakPolarHBondContact O-CG 3.18Å; A817-E821 PolarHBondContact O-N 3.45Å; E821-Q825 HydrophobicContact CB-CB 4.45Å; E821-Q825 PolarHBondContact OE2-OE1 2.82Å; E821-R826 HydrophobicContact CB-CG 4.23Å; E821-R826 PolarHBondContact O-NE 2.93Å; E821-K829 HydrophobicContact CG-CB 4.2Å; E821-K829 HydrophobicContact CG-CD 4.24Å; E821-K829 HydrophobicContact CG-CG 3.94Å; E821-K829 IonicContact OE1-NZ 3.73Å
822	A	89.4	Confident	91.1	Very high	51 Å²	51	54.4 Å²	54.4	42%	0.421	27%	0.274	S	S	.	.			trans	-61.8	143.5	174.4	0	0	0	0	0	110.5	P824 Q825 R826	A822-P824 VanDerWaalsContact C-N 3.34Å; A822-P824 WeakPolarHBondContact O-CD 3.35Å; A822-Q825 PolarHBondContact O-N 3.22Å; A822-R826 WeakPolarHBondContact O-CG 3.25Å; A822-R826 PolarHBondContact O-N 3.4Å
823	R	87.6	Confident	91.2	Very high	152 Å²	152	52.3 Å²	52.3	57%	0.574	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-40.8	-45.4	-175.8	-69.5	-177.6	177.2	-177.1	-1.6	115.8	F941	R823-F941 PolarHBondContact NH2-O 3.36Å; R823-F941 PolarHBondContact NH2-OXT 3.48Å
824	P	90.3	Very high	91.1	Very high	107 Å²	107	53.7 Å²	53.7	70%	0.695	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-33.8	179.3	26.8	-34.1	0	0	0	113.6	A822 R826	A822-P824 VanDerWaalsContact C-N 3.34Å; A822-P824 WeakPolarHBondContact O-CD 3.35Å; P824-R826 VanDerWaalsContact C-N 3.34Å
825	Q	91.7	Very high	91.1	Very high	101 Å²	101	60.7 Å²	60.7	47%	0.472	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-19.2	-177.7	-67.5	164.1	-12.5	0	0	112.5	E821 A822 R827 T828 K829	E821-Q825 HydrophobicContact CB-CB 4.45Å; E821-Q825 PolarHBondContact OE2-OE1 2.82Å; A822-Q825 PolarHBondContact O-N 3.22Å; Q825-R827 PolarHBondContact O-N 2.8Å; Q825-R827 VanDerWaalsContact O-N 3.12Å; Q825-T828 PolarHBondContact O-N 3.33Å; Q825-T828 PolarHBondContact O-OG1 3.47Å; Q825-K829 PolarHBondContact O-N 3.24Å; Q825-K829 VanDerWaalsContact O-N 3.12Å
826	R	91.9	Very high	91	Very high	32 Å²	32	65.7 Å²	65.7	12%	0.121	32%	0.321	C	S	.	.	H	α-helix	trans	-55.2	-33.3	177.3	-56.2	-169.1	176.1	165.9	-9.1	112.8	I818 F819 E821 A822 P824 S830 L850	I818-R826 HydrophobicContact CG2-CB 4.26Å; I818-R826 WeakPolarHBondContact O-CD 3.47Å; I818-R826 WeakPolarHBondContact O-CG 3.3Å; I818-R826 PolarHBondContact O-NE 3.31Å; F819-R826 PolarHBondContact O-NE 3.45Å; F819-R826 PolarHBondContact O-NH2 3.34Å; E821-R826 HydrophobicContact CB-CG 4.23Å; E821-R826 PolarHBondContact O-NE 2.93Å; A822-R826 WeakPolarHBondContact O-CG 3.25Å; A822-R826 PolarHBondContact O-N 3.4Å; P824-R826 VanDerWaalsContact C-N 3.34Å; R826-S830 VanDerWaalsContact O-CB 3.23Å; R826-S830 WeakPolarHBondContact O-CB 3.28Å; R826-S830 PolarHBondContact O-N 3.48Å; R826-S830 PolarHBondContact O-OG 2.81Å; R826-L850 HydrophobicContact CB-CD1 3.65Å; R826-L850 HydrophobicContact CB-CG 4.43Å; R826-L850 WeakPolarHBondContact O-CD1 3.47Å
827	R	91	Very high	90.7	Very high	163 Å²	163	65.4 Å²	65.4	62%	0.615	32%	0.321	S	S	*	.	H	α-helix	trans	-61.8	-52.8	-179	-174.9	-178.6	178.1	-172.2	-2.6	111.2	Q825 S830 V831	Q825-R827 PolarHBondContact O-N 2.8Å; Q825-R827 VanDerWaalsContact O-N 3.12Å; R827-S830 PolarHBondContact O-N 3.35Å; R827-S830 PolarHBondContact O-OG 2.91Å; R827-V831 WeakPolarHBondContact O-CG2 3.46Å; R827-V831 PolarHBondContact O-N 3.49Å
828	T	92.8	Very high	90.1	Very high	91 Å²	91	71.4 Å²	71.4	56%	0.558	35%	0.349	S	S	*	.	H	α-helix	trans	-67.8	-42.1	180	51.9	0	0	0	0	110.9	Q825 S830 V831 D832	Q825-T828 PolarHBondContact O-N 3.33Å; Q825-T828 PolarHBondContact O-OG1 3.47Å; T828-S830 VanDerWaalsContact C-N 3.27Å; T828-S830 PolarHBondContact O-N 2.87Å; T828-V831 WeakPolarHBondContact O-CB 3.44Å; T828-V831 PolarHBondContact O-N 2.76Å; T828-D832 PolarHBondContact O-N 2.69Å
829	K	92.7	Very high	89.7	Confident	44 Å²	44	77.9 Å²	77.9	19%	0.191	38%	0.379	C	S	.	.	H	α-helix	trans	-58.7	-38.3	176.1	-165.7	71.8	169.9	-167.5	0	112.8	W814 I818 E821 Q825 V831 D832 A833	W814-K829 HydrophobicContact CZ3-CD 3.98Å; W814-K829 HydrophobicContact CZ3-CG 4.44Å; I818-K829 HydrophobicContact CG1-CG 4.34Å; E821-K829 HydrophobicContact CG-CB 4.2Å; E821-K829 HydrophobicContact CG-CD 4.24Å; E821-K829 HydrophobicContact CG-CG 3.94Å; E821-K829 IonicContact OE1-NZ 3.73Å; Q825-K829 PolarHBondContact O-N 3.24Å; Q825-K829 VanDerWaalsContact O-N 3.12Å; K829-V831 VanDerWaalsContact C-N 3.34Å; K829-D832 PolarHBondContact O-N 2.96Å; K829-A833 WeakPolarHBondContact O-CB 2.81Å; K829-A833 PolarHBondContact O-N 3.36Å
830	S	91.6	Very high	89.7	Confident	7 Å²	7	77 Å²	77	5%	0.049	38%	0.376	C	S	.	.	H	α-helix	trans	-68.7	-31.9	176.8	73.9	0	0	0	0	112.9	R826 R827 T828 A833 L834	R826-S830 VanDerWaalsContact O-CB 3.23Å; R826-S830 WeakPolarHBondContact O-CB 3.28Å; R826-S830 PolarHBondContact O-N 3.48Å; R826-S830 PolarHBondContact O-OG 2.81Å; R827-S830 PolarHBondContact O-N 3.35Å; R827-S830 PolarHBondContact O-OG 2.91Å; T828-S830 VanDerWaalsContact C-N 3.27Å; T828-S830 PolarHBondContact O-N 2.87Å; S830-A833 WeakPolarHBondContact O-CB 3.32Å; S830-A833 PolarHBondContact O-N 3.09Å; S830-L834 VanDerWaalsContact O-CG 3.29Å; S830-L834 WeakPolarHBondContact O-CG 3.28Å; S830-L834 PolarHBondContact O-N 3.27Å
831	V	93.3	Very high	89.7	Confident	86 Å²	86	76.8 Å²	76.8	52%	0.521	38%	0.376	S	S	.	.	H	α-helix	trans	-70.1	-41.1	172.9	174.3	0	0	0	0	110.6	R827 T828 K829 A833 L834 K835	R827-V831 WeakPolarHBondContact O-CG2 3.46Å; R827-V831 PolarHBondContact O-N 3.49Å; T828-V831 WeakPolarHBondContact O-CB 3.44Å; T828-V831 PolarHBondContact O-N 2.76Å; K829-V831 VanDerWaalsContact C-N 3.34Å; V831-A833 VanDerWaalsContact C-N 3.31Å; V831-A833 PolarHBondContact O-N 3.11Å; V831-L834 PolarHBondContact O-N 3.46Å; V831-K835 PolarHBondContact O-N 2.95Å
832	D	91.4	Very high	89.7	Confident	81 Å²	81	76.7 Å²	76.7	43%	0.433	38%	0.376	S	S	.	.	H	α-helix	trans	-61.8	-41.3	174	-68.1	-24.2	0	0	0	111.5	W814 T828 K829 K835 K836	W814-D832 HydrophobicContact CH2-CB 4.33Å; W814-D832 HydrophobicContact CZ3-CB 4.19Å; T828-D832 PolarHBondContact O-N 2.69Å; K829-D832 PolarHBondContact O-N 2.96Å; D832-K835 PolarHBondContact O-N 3.05Å; D832-K836 VanDerWaalsContact O-CG 3.3Å; D832-K836 WeakPolarHBondContact O-CG 3.37Å; D832-K836 PolarHBondContact O-N 3.35Å; D832-K836 VanDerWaalsContact O-N 3.09Å
833	A	91.2	Very high	89.8	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-59.7	-48.2	174.6	0	0	0	0	0	111.5	W814 I818 K829 S830 V831 K835 K836 C837 V843	W814-A833 HydrophobicContact CB-CB 3.83Å; W814-A833 HydrophobicContact CD2-CB 3.88Å; W814-A833 HydrophobicContact CE3-CB 3.63Å; W814-A833 HydrophobicContact CG-CB 3.98Å; W814-A833 HydrophobicContact CZ3-CB 4.42Å; I818-A833 HydrophobicContact CD1-CB 3.85Å; I818-A833 HydrophobicContact CG1-CB 4.4Å; K829-A833 WeakPolarHBondContact O-CB 2.81Å; K829-A833 PolarHBondContact O-N 3.36Å; S830-A833 WeakPolarHBondContact O-CB 3.32Å; S830-A833 PolarHBondContact O-N 3.09Å; V831-A833 VanDerWaalsContact C-N 3.31Å; V831-A833 PolarHBondContact O-N 3.11Å; A833-K835 VanDerWaalsContact C-N 3.31Å; A833-K835 PolarHBondContact O-N 2.98Å; A833-K836 PolarHBondContact O-N 3.44Å; A833-K836 VanDerWaalsContact O-N 3.09Å; A833-C837 PolarHBondContact O-N 3.26Å; A833-C837 PolarHBondContact O-SG 3.5Å; A833-V843 HydrophobicContact CB-CG1 3.7Å
834	L	91.4	Very high	90.1	Very high	29 Å²	29	67.2 Å²	67.2	15%	0.152	33%	0.33	C	S	.	.	H	α-helix	trans	-62	-38.1	177	-70	169.3	0	0	0	112.1	S830 V831 K836 C837 E838 V843 L844 V847 W863	S830-L834 VanDerWaalsContact O-CG 3.29Å; S830-L834 WeakPolarHBondContact O-CG 3.28Å; S830-L834 PolarHBondContact O-N 3.27Å; V831-L834 PolarHBondContact O-N 3.46Å; L834-K836 PolarHBondContact O-N 2.86Å; L834-C837 CarbonylContact O-C 3.6Å; L834-E838 WeakPolarHBondContact O-CA 3.25Å; L834-E838 WeakPolarHBondContact O-CB 3.43Å; L834-E838 PolarHBondContact O-N 3.45Å; L834-E838 VanDerWaalsContact O-N 3.1Å; L834-V843 HydrophobicContact CD2-CG1 3.83Å; L834-V843 HydrophobicContact CG-CG1 4.2Å; L834-L844 HydrophobicContact CD2-CD2 3.69Å; L834-V847 HydrophobicContact CD1-CG2 4.01Å; L834-V847 HydrophobicContact CD2-CG2 4.26Å; L834-V847 HydrophobicContact CG-CG2 4.14Å; L834-W863 HydrophobicContact CD1-CH2 3.5Å; L834-W863 HydrophobicContact CD1-CZ2 4.5Å; L834-W863 HydrophobicContact CD1-CZ3 3.88Å; L834-W863 HydrophobicContact CD2-CH2 4.23Å; L834-W863 HydrophobicContact CD2-CZ3 3.89Å
835	K	91.6	Very high	90.2	Very high	166 Å²	166	62.4 Å²	62.4	72%	0.722	30%	0.298	S	S	*	.	H	α-helix	trans	-64.8	-28.5	175.9	-175.1	178.7	177.4	-175.2	0	112.8	V831 D832 A833	V831-K835 PolarHBondContact O-N 2.95Å; D832-K835 PolarHBondContact O-N 3.05Å; A833-K835 VanDerWaalsContact C-N 3.31Å; A833-K835 PolarHBondContact O-N 2.98Å
836	K	88.7	Confident	90.2	Very high	118 Å²	118	57.8 Å²	57.8	51%	0.513	28%	0.277	S	S	.	.	H	α-helix	trans	-90.5	-37.8	-178.4	-68.4	-68.8	-177.2	179.4	0	112.8	W814 D832 A833 L834	W814-K836 HydrophobicContact CZ2-CB 4.22Å; W814-K836 HydrophobicContact CZ2-CG 3.83Å; D832-K836 VanDerWaalsContact O-CG 3.3Å; D832-K836 WeakPolarHBondContact O-CG 3.37Å; D832-K836 PolarHBondContact O-N 3.35Å; D832-K836 VanDerWaalsContact O-N 3.09Å; A833-K836 PolarHBondContact O-N 3.44Å; A833-K836 VanDerWaalsContact O-N 3.09Å; L834-K836 PolarHBondContact O-N 2.86Å
837	C	84.4	Confident	90.2	Very high	12 Å²	12	56.3 Å²	56.3	8%	0.081	27%	0.272	C	S	.	.	S	Bend	trans	-140.7	80.9	-180	44.8	0	0	0	0	109.3	W814 A833 L834 D840 V843	W814-C837 VanDerWaalsContact CD1-SG 3.52Å; A833-C837 PolarHBondContact O-N 3.26Å; A833-C837 PolarHBondContact O-SG 3.5Å; L834-C837 CarbonylContact O-C 3.6Å; C837-D840 HydrophobicContact CB-CB 3.99Å; C837-V843 HydrophobicContact CB-CG2 4.49Å; C837-V843 WeakPolarHBondContact SG-CG2 3.46Å
838	E	80	Confident	90.3	Very high	128 Å²	128	48.6 Å²	48.6	60%	0.598	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-35.1	-170.1	-165.1	166.8	-176	0	0	113.4	L834	L834-E838 WeakPolarHBondContact O-CA 3.25Å; L834-E838 WeakPolarHBondContact O-CB 3.43Å; L834-E838 PolarHBondContact O-N 3.45Å; L834-E838 VanDerWaalsContact O-N 3.1Å
839	H	83.4	Confident	90.2	Very high	141 Å²	141	46.4 Å²	46.4	65%	0.653	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106	22.8	-178	-54.9	-41.7	0	0	0	113.1	I870	H839-I870 VanDerWaalsContact O-CG2 3.28Å; H839-I870 WeakPolarHBondContact O-CG2 3.23Å
840	D	89.4	Confident	90.2	Very high	40 Å²	40	44.9 Å²	44.9	21%	0.214	22%	0.219	C	C	.	.			trans	-90.6	126.7	177.7	-172.5	-72.9	0	0	0	111.7	G811 C837 H842 V843 L844	G811-D840 VanDerWaalsContact CA-CG 3.48Å; G811-D840 WeakPolarHBondContact CA-OD1 3.38Å; G811-D840 WeakPolarHBondContact CA-OD2 3.31Å; C837-D840 HydrophobicContact CB-CB 3.99Å; D840-H842 VanDerWaalsContact C-N 3.33Å; D840-H842 PolarHBondContact O-N 2.8Å; D840-H842 WeakPolarHBondContact OD1-CA 3.27Å; D840-H842 VanDerWaalsContact OD1-CB 3.31Å; D840-H842 WeakPolarHBondContact OD1-CB 3.19Å; D840-H842 IonicContact OD1-CD2 2.72Å; D840-H842 IonicContact OD1-CG 3.3Å; D840-H842 PolarHBondContact OD1-N 2.82Å; D840-V843 HydrophobicContact CB-CB 4.48Å; D840-V843 HydrophobicContact CB-CG2 4.23Å; D840-V843 PolarHBondContact O-N 2.87Å; D840-V843 PolarHBondContact OD1-N 3.02Å; D840-L844 WeakPolarHBondContact O-CG 3.29Å; D840-L844 PolarHBondContact O-N 3.26Å; D840-L844 VanDerWaalsContact O-N 3.15Å
841	P	89.6	Confident	90.3	Very high	14 Å²	14	46.1 Å²	46.1	9%	0.091	22%	0.224	C	C	.	.	H	α-helix	trans	-68.5	-28	-174.6	30.7	-38.9	0	0	0	113.3	L845 T867 D871 L874	P841-L845 WeakPolarHBondContact O-CB 3.41Å; P841-L845 PolarHBondContact O-N 3.32Å; P841-T867 WeakPolarHBondContact O-CG2 3.42Å; P841-D871 HydrophobicContact CB-CB 3.63Å; P841-D871 HydrophobicContact CG-CB 3.68Å; P841-L874 HydrophobicContact CB-CD1 3.66Å; P841-L874 HydrophobicContact CG-CD1 3.65Å
842	H	90	Very high	90.2	Very high	47 Å²	47	42.5 Å²	42.5	22%	0.218	20%	0.201	C	C	.	.	H	α-helix	trans	-70.5	-33.7	176.4	-66.7	-82.4	0	0	0	112.1	I812 S815 D840 A846	I812-H842 HydrophobicContact CG2-CB 4.31Å; S815-H842 WeakPolarHBondContact CB-O 3.37Å; D840-H842 VanDerWaalsContact C-N 3.33Å; D840-H842 PolarHBondContact O-N 2.8Å; D840-H842 WeakPolarHBondContact OD1-CA 3.27Å; D840-H842 VanDerWaalsContact OD1-CB 3.31Å; D840-H842 WeakPolarHBondContact OD1-CB 3.19Å; D840-H842 IonicContact OD1-CD2 2.72Å; D840-H842 IonicContact OD1-CG 3.3Å; D840-H842 PolarHBondContact OD1-N 2.82Å; H842-A846 WeakPolarHBondContact O-CB 3.17Å; H842-A846 PolarHBondContact O-N 2.83Å
843	V	92.6	Very high	90.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-72.9	-44.9	176.7	177.1	0	0	0	0	110.8	W814 A833 L834 C837 D840 L845 A846 V847	W814-V843 HydrophobicContact CB-CG2 3.88Å; A833-V843 HydrophobicContact CB-CG1 3.7Å; L834-V843 HydrophobicContact CD2-CG1 3.83Å; L834-V843 HydrophobicContact CG-CG1 4.2Å; C837-V843 HydrophobicContact CB-CG2 4.49Å; C837-V843 WeakPolarHBondContact SG-CG2 3.46Å; D840-V843 HydrophobicContact CB-CB 4.48Å; D840-V843 HydrophobicContact CB-CG2 4.23Å; D840-V843 PolarHBondContact O-N 2.87Å; D840-V843 PolarHBondContact OD1-N 3.02Å; V843-L845 VanDerWaalsContact C-N 3.27Å; V843-L845 PolarHBondContact O-N 3.14Å; V843-A846 WeakPolarHBondContact O-CB 3.33Å; V843-A846 PolarHBondContact O-N 3.04Å; V843-A846 VanDerWaalsContact O-N 3.09Å; V843-V847 WeakPolarHBondContact O-CG2 3.45Å; V843-V847 PolarHBondContact O-N 2.84Å
844	L	92.3	Very high	90	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.026	21%	0.208	C	C	.	.	H	α-helix	trans	-59	-41.8	173.8	-61	179.8	0	0	0	111.1	L834 D840 A846 V847 A848 W863 R866 T867 I870	L834-L844 HydrophobicContact CD2-CD2 3.69Å; D840-L844 WeakPolarHBondContact O-CG 3.29Å; D840-L844 PolarHBondContact O-N 3.26Å; D840-L844 VanDerWaalsContact O-N 3.15Å; L844-A846 VanDerWaalsContact C-N 3.34Å; L844-A846 PolarHBondContact O-N 2.88Å; L844-V847 PolarHBondContact O-N 3.4Å; L844-A848 WeakPolarHBondContact O-CB 3.15Å; L844-A848 PolarHBondContact O-N 2.7Å; L844-W863 HydrophobicContact CD2-CE3 3.9Å; L844-W863 HydrophobicContact CD2-CZ3 3.45Å; L844-W863 VanDerWaalsContact CD2-CZ3 3.45Å; L844-R866 HydrophobicContact CD1-CG 4.31Å; L844-T867 VanDerWaalsContact C-OG1 3.3Å; L844-T867 HydrophobicContact CB-CG2 4.22Å; L844-T867 VanDerWaalsContact CB-OG1 3.3Å; L844-T867 WeakPolarHBondContact CB-OG1 3.34Å; L844-I870 HydrophobicContact CD1-CB 4.14Å; L844-I870 HydrophobicContact CD1-CG1 3.71Å; L844-I870 HydrophobicContact CD1-CG2 4.46Å
845	L	92.9	Very high	90	Very high	5 Å²	5	52.6 Å²	52.6	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-61.1	-40.7	173.9	-178	57.1	0	0	0	112.3	P841 V843 A848 K849 F864 T867 L874 D876 A877 F880	P841-L845 WeakPolarHBondContact O-CB 3.41Å; P841-L845 PolarHBondContact O-N 3.32Å; V843-L845 VanDerWaalsContact C-N 3.27Å; V843-L845 PolarHBondContact O-N 3.14Å; L845-A848 PolarHBondContact O-N 2.97Å; L845-K849 WeakPolarHBondContact O-CB 3.48Å; L845-K849 VanDerWaalsContact O-CG 3.31Å; L845-K849 WeakPolarHBondContact O-CG 3.36Å; L845-K849 PolarHBondContact O-N 2.87Å; L845-F864 HydrophobicContact CD1-CD1 4.41Å; L845-F864 HydrophobicContact CD1-CE1 3.92Å; L845-T867 HydrophobicContact CB-CG2 3.93Å; L845-T867 PolarHBondContact N-OG1 3.49Å; L845-L874 HydrophobicContact CD2-CD2 4.29Å; L845-D876 HydrophobicContact CD2-CB 4.13Å; L845-A877 HydrophobicContact CD1-CB 4.33Å; L845-A877 HydrophobicContact CD2-CB 4.39Å; L845-F880 HydrophobicContact CD1-CB 3.98Å; L845-F880 HydrophobicContact CD1-CD2 3.89Å; L845-F880 HydrophobicContact CD1-CG 4.28Å; L845-F880 HydrophobicContact CD2-CD2 3.93Å; L845-F880 HydrophobicContact CD2-CE2 4.32Å; L845-F880 HydrophobicContact CG-CD2 4.19Å
846	A	91.8	Very high	90.1	Very high	4 Å²	4	49 Å²	49	3%	0.033	22%	0.224	C	C	.	.	H	α-helix	trans	-65.7	-38.8	175.8	0	0	0	0	0	112.4	I818 H842 V843 L844 K849 L850	I818-A846 HydrophobicContact CB-CB 4.5Å; I818-A846 HydrophobicContact CD1-CB 3.76Å; H842-A846 WeakPolarHBondContact O-CB 3.17Å; H842-A846 PolarHBondContact O-N 2.83Å; V843-A846 WeakPolarHBondContact O-CB 3.33Å; V843-A846 PolarHBondContact O-N 3.04Å; V843-A846 VanDerWaalsContact O-N 3.09Å; L844-A846 VanDerWaalsContact C-N 3.34Å; L844-A846 PolarHBondContact O-N 2.88Å; A846-K849 PolarHBondContact O-N 2.93Å; A846-L850 WeakPolarHBondContact O-CB 2.99Å; A846-L850 PolarHBondContact O-N 2.7Å
847	V	92.8	Very high	90.3	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.012	22%	0.216	C	C	.	.	H	α-helix	trans	-66.7	-42.1	174.7	176.7	0	0	0	0	110.9	L834 V843 L844 L850 F851 W863	L834-V847 HydrophobicContact CD1-CG2 4.01Å; L834-V847 HydrophobicContact CD2-CG2 4.26Å; L834-V847 HydrophobicContact CG-CG2 4.14Å; V843-V847 WeakPolarHBondContact O-CG2 3.45Å; V843-V847 PolarHBondContact O-N 2.84Å; L844-V847 PolarHBondContact O-N 3.4Å; V847-L850 WeakPolarHBondContact O-CB 3.32Å; V847-L850 PolarHBondContact O-N 3.03Å; V847-L850 VanDerWaalsContact O-N 3.13Å; V847-F851 HydrophobicContact CG1-CD2 3.77Å; V847-F851 HydrophobicContact CG1-CE2 3.39Å; V847-F851 HydrophobicContact CG1-CZ 4.29Å; V847-F851 WeakPolarHBondContact O-CD2 3.07Å; V847-F851 PolarHBondContact O-N 3.34Å; V847-W863 HydrophobicContact CB-CD2 4.39Å; V847-W863 HydrophobicContact CB-CE3 3.83Å; V847-W863 HydrophobicContact CB-CZ3 4.08Å; V847-W863 HydrophobicContact CG1-CD2 3.59Å; V847-W863 HydrophobicContact CG1-CE3 3.44Å; V847-W863 VanDerWaalsContact CG1-CE3 3.44Å; V847-W863 HydrophobicContact CG1-CG 4.23Å; V847-W863 HydrophobicContact CG1-CH2 4.12Å; V847-W863 HydrophobicContact CG1-CZ2 4.24Å; V847-W863 HydrophobicContact CG1-CZ3 3.72Å; V847-W863 HydrophobicContact CG2-CZ3 4.33Å
848	A	93.1	Very high	90.7	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.2	-46.1	174.9	0	0	0	0	0	111.2	L844 L845 L850 F851 W852 W863 F864	L844-A848 WeakPolarHBondContact O-CB 3.15Å; L844-A848 PolarHBondContact O-N 2.7Å; L845-A848 PolarHBondContact O-N 2.97Å; A848-L850 VanDerWaalsContact C-N 3.29Å; A848-L850 PolarHBondContact O-N 3.47Å; A848-F851 PolarHBondContact O-N 2.86Å; A848-W852 WeakPolarHBondContact O-CB 3.49Å; A848-W852 PolarHBondContact O-N 3.42Å; A848-W863 HydrophobicContact CB-CB 3.95Å; A848-F864 HydrophobicContact CB-CD1 3.62Å; A848-F864 HydrophobicContact CB-CD2 4.09Å; A848-F864 HydrophobicContact CB-CE1 3.6Å; A848-F864 HydrophobicContact CB-CE2 4.06Å; A848-F864 HydrophobicContact CB-CG 3.86Å; A848-F864 HydrophobicContact CB-CZ 3.83Å
849	K	90.8	Very high	91.4	Very high	46 Å²	46	50.3 Å²	50.3	20%	0.2	24%	0.237	C	C	.	.	H	α-helix	trans	-60.5	-36.1	172.1	-73.5	-174.7	-58.1	-178.2	0	112.6	L845 A846 S853 F880 F941	L845-K849 WeakPolarHBondContact O-CB 3.48Å; L845-K849 VanDerWaalsContact O-CG 3.31Å; L845-K849 WeakPolarHBondContact O-CG 3.36Å; L845-K849 PolarHBondContact O-N 2.87Å; A846-K849 PolarHBondContact O-N 2.93Å; K849-S853 VanDerWaalsContact O-CB 3.25Å; K849-S853 WeakPolarHBondContact O-CB 3.39Å; K849-S853 PolarHBondContact O-N 2.67Å; K849-F880 HydrophobicContact CD-CD1 3.98Å; K849-F880 HydrophobicContact CD-CD2 4.08Å; K849-F880 HydrophobicContact CD-CE1 3.89Å; K849-F880 HydrophobicContact CD-CE2 4.02Å; K849-F880 HydrophobicContact CD-CG 4.09Å; K849-F880 HydrophobicContact CD-CZ 3.92Å; K849-F880 HydrophobicContact CG-CD1 4.36Å; K849-F880 HydrophobicContact CG-CG 4.36Å; K849-F941 HydrophobicContact CB-CE1 4.34Å; K849-F941 HydrophobicContact CB-CZ 4.36Å; K849-F941 HydrophobicContact CD-CE1 4.49Å; K849-F941 HydrophobicContact CD-CZ 4.26Å; K849-F941 HydrophobicContact CG-CZ 4.29Å
850	L	92.6	Very high	91.8	Very high	11 Å²	11	43.6 Å²	43.6	6%	0.058	21%	0.206	C	C	.	.	H	α-helix	trans	-65.8	-46.6	176.2	-178.4	163.3	0	0	0	111	I818 R826 A846 V847 A848 W852 S853 Q854	I818-L850 HydrophobicContact CG2-CD1 4.02Å; R826-L850 HydrophobicContact CB-CD1 3.65Å; R826-L850 HydrophobicContact CB-CG 4.43Å; R826-L850 WeakPolarHBondContact O-CD1 3.47Å; A846-L850 WeakPolarHBondContact O-CB 2.99Å; A846-L850 PolarHBondContact O-N 2.7Å; V847-L850 WeakPolarHBondContact O-CB 3.32Å; V847-L850 PolarHBondContact O-N 3.03Å; V847-L850 VanDerWaalsContact O-N 3.13Å; A848-L850 VanDerWaalsContact C-N 3.29Å; A848-L850 PolarHBondContact O-N 3.47Å; L850-W852 VanDerWaalsContact C-N 3.33Å; L850-W852 PolarHBondContact O-N 3.31Å; L850-S853 PolarHBondContact O-N 3.24Å; L850-Q854 HydrophobicContact CD2-CG 4.22Å; L850-Q854 VanDerWaalsContact CD2-NE2 3.31Å; L850-Q854 WeakPolarHBondContact O-CG 3.48Å; L850-Q854 PolarHBondContact O-N 3.05Å
851	F	93.1	Very high	92	Very high	33 Å²	33	43.9 Å²	43.9	15%	0.145	21%	0.205	C	C	.	.	H	α-helix	trans	-65.7	-37.2	176.7	-73.4	-51.5	0	0	0	112.5	V847 A848 Q854 R855 K856 K859 A860 W863	V847-F851 HydrophobicContact CG1-CD2 3.77Å; V847-F851 HydrophobicContact CG1-CE2 3.39Å; V847-F851 HydrophobicContact CG1-CZ 4.29Å; V847-F851 WeakPolarHBondContact O-CD2 3.07Å; V847-F851 PolarHBondContact O-N 3.34Å; A848-F851 PolarHBondContact O-N 2.86Å; F851-Q854 CarbonylContact O-C 3.59Å; F851-Q854 PolarHBondContact O-N 2.86Å; F851-R855 PolarHBondContact O-N 3.49Å; F851-R855 VanDerWaalsContact O-N 3.13Å; F851-K856 HydrophobicContact CD1-CD 4.23Å; F851-K856 PolarHBondContact O-N 2.82Å; F851-K859 HydrophobicContact CD1-CB 4.42Å; F851-K859 HydrophobicContact CD2-CB 4.4Å; F851-K859 HydrophobicContact CE1-CD 4.47Å; F851-K859 HydrophobicContact CG-CB 4.25Å; F851-A860 HydrophobicContact CB-CB 3.84Å; F851-W863 HydrophobicContact CD2-CB 4.46Å; F851-W863 AromaticContact CD2-CD1 3.69Å; F851-W863 HydrophobicContact CD2-CD2 4.44Å; F851-W863 AromaticContact CD2-CG 3.91Å; F851-W863 HydrophobicContact CD2-CG 3.91Å; F851-W863 AromaticContact CE2-CD1 3.55Å; F851-W863 HydrophobicContact CE2-CD2 4.06Å; F851-W863 AromaticContact CE2-CE2 3.74Å; F851-W863 AromaticContact CE2-CG 3.93Å; F851-W863 HydrophobicContact CE2-CG 3.93Å; F851-W863 HydrophobicContact CE2-CZ2 4.45Å; F851-W863 AromaticContact CE2-NE1 3.4Å
852	W	92.3	Very high	92.2	Very high	11 Å²	11	47.9 Å²	47.9	4%	0.042	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-44.2	172.3	-178.8	26.8	0	0	0	111.7	A848 L850 Q854 R855 A860 F864 F880 K883 F884 Q887 H888 F941	A848-W852 WeakPolarHBondContact O-CB 3.49Å; A848-W852 PolarHBondContact O-N 3.42Å; L850-W852 VanDerWaalsContact C-N 3.33Å; L850-W852 PolarHBondContact O-N 3.31Å; W852-Q854 VanDerWaalsContact C-N 3.28Å; W852-Q854 PolarHBondContact O-N 3.27Å; W852-R855 WeakPolarHBondContact O-CA 3.32Å; W852-R855 PolarHBondContact O-N 3.18Å; W852-A860 HydrophobicContact CB-CB 4.27Å; W852-F864 HydrophobicContact CB-CE2 4.49Å; W852-F864 HydrophobicContact CE3-CZ 4.33Å; W852-F880 HydrophobicContact CZ3-CD1 4.2Å; W852-K883 HydrophobicContact CH2-CB 4.36Å; W852-K883 HydrophobicContact CH2-CD 3.93Å; W852-K883 HydrophobicContact CH2-CG 3.92Å; W852-K883 HydrophobicContact CZ2-CG 4.48Å; W852-F884 HydrophobicContact CB-CD2 4.37Å; W852-F884 AromaticContact CD1-CD2 3.69Å; W852-F884 HydrophobicContact CD2-CB 4.48Å; W852-F884 HydrophobicContact CD2-CD2 4.18Å; W852-F884 AromaticContact CG-CD2 3.85Å; W852-F884 HydrophobicContact CG-CD2 3.85Å; W852-F884 HydrophobicContact CG-CE2 4.48Å; W852-F884 AromaticContact NE1-CD2 3.92Å; W852-Q887 VanDerWaalsContact CZ2-OE1 3.26Å; W852-H888 AromaticContact CD1-CD2 3.82Å; W852-H888 AromaticContact CD1-NE2 3.65Å; W852-H888 AromaticContact NE1-CD2 3.48Å; W852-H888 PolarHBondContact NE1-CD2 3.39Å; W852-H888 AromaticContact NE1-NE2 3.25Å; W852-H888 PolarHBondContact NE1-NE2 3.16Å; W852-F941 HydrophobicContact CD2-CE2 4.31Å; W852-F941 AromaticContact CE3-CE2 3.7Å; W852-F941 HydrophobicContact CE3-CE2 3.7Å; W852-F941 HydrophobicContact CE3-CZ 4.06Å; W852-F941 HydrophobicContact CH2-CE2 4.08Å; W852-F941 AromaticContact CZ3-CE2 3.56Å; W852-F941 HydrophobicContact CZ3-CE2 3.56Å; W852-F941 HydrophobicContact CZ3-CZ 4.04Å
853	S	88.9	Confident	92.4	Very high	38 Å²	38	47.4 Å²	47.4	27%	0.266	22%	0.218	S	C	.	.	H	α-helix	trans	-61.4	-34.6	174.3	178.6	0	0	0	0	112.5	K849 L850 R855	K849-S853 VanDerWaalsContact O-CB 3.25Å; K849-S853 WeakPolarHBondContact O-CB 3.39Å; K849-S853 PolarHBondContact O-N 2.67Å; L850-S853 PolarHBondContact O-N 3.24Å; S853-R855 PolarHBondContact O-N 3.35Å
854	Q	89.5	Confident	92.4	Very high	68 Å²	68	47.4 Å²	47.4	32%	0.318	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	1.4	172.3	-69.1	-176.4	5.7	0	0	114	L850 F851 W852 K856	L850-Q854 HydrophobicContact CD2-CG 4.22Å; L850-Q854 VanDerWaalsContact CD2-NE2 3.31Å; L850-Q854 WeakPolarHBondContact O-CG 3.48Å; L850-Q854 PolarHBondContact O-N 3.05Å; F851-Q854 CarbonylContact O-C 3.59Å; F851-Q854 PolarHBondContact O-N 2.86Å; W852-Q854 VanDerWaalsContact C-N 3.28Å; W852-Q854 PolarHBondContact O-N 3.27Å; Q854-K856 HydrophobicContact CB-CD 4.44Å; Q854-K856 HydrophobicContact CB-CG 4.4Å; Q854-K856 PolarHBondContact O-N 3.12Å
855	R	90.3	Very high	92.4	Very high	215 Å²	215	49.8 Å²	49.8	81%	0.811	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	24.3	-177	-57.3	-175.7	172.4	-173	-2.9	115	F851 W852 S853 I857	F851-R855 PolarHBondContact O-N 3.49Å; F851-R855 VanDerWaalsContact O-N 3.13Å; W852-R855 WeakPolarHBondContact O-CA 3.32Å; W852-R855 PolarHBondContact O-N 3.18Å; S853-R855 PolarHBondContact O-N 3.35Å; R855-I857 PolarHBondContact O-N 2.98Å
856	K	93.7	Very high	92.3	Very high	92 Å²	92	54.5 Å²	54.5	40%	0.4	25%	0.247	S	C	.	.			trans	-89.6	76.6	174.9	-67.5	175.6	-176.9	159.5	0	110	F851 Q854 T858 K859 A860	F851-K856 HydrophobicContact CD1-CD 4.23Å; F851-K856 PolarHBondContact O-N 2.82Å; Q854-K856 HydrophobicContact CB-CD 4.44Å; Q854-K856 HydrophobicContact CB-CG 4.4Å; Q854-K856 PolarHBondContact O-N 3.12Å; K856-T858 PolarHBondContact O-N 3.09Å; K856-K859 PolarHBondContact O-N 3.18Å; K856-A860 WeakPolarHBondContact O-CB 3.47Å; K856-A860 PolarHBondContact O-N 3.35Å
857	I	93.1	Very high	92.3	Very high	66 Å²	66	54.3 Å²	54.3	34%	0.338	25%	0.245	S	C	.	.	H	α-helix	trans	-60.3	-40.4	-169.5	59.4	176.7	0	0	0	114.2	R855 A860 R861 F884 H888	R855-I857 PolarHBondContact O-N 2.98Å; I857-A860 PolarHBondContact O-N 3.14Å; I857-R861 WeakPolarHBondContact O-CB 3.23Å; I857-R861 PolarHBondContact O-N 3.25Å; I857-F884 HydrophobicContact CB-CE2 4.41Å; I857-F884 HydrophobicContact CB-CZ 4.34Å; I857-F884 HydrophobicContact CG2-CE2 4.31Å; I857-F884 WeakPolarHBondContact O-CZ 3.45Å; I857-H888 HydrophobicContact CG2-CB 4.16Å
858	T	92.8	Very high	92.2	Very high	106 Å²	106	54.7 Å²	54.7	65%	0.65	25%	0.248	S	C	*	.	H	α-helix	trans	-65	-46.6	-177.9	51	0	0	0	0	111.6	K856 E862	K856-T858 PolarHBondContact O-N 3.09Å; T858-E862 PolarHBondContact O-N 3.48Å
859	K	94.1	Very high	92.1	Very high	112 Å²	112	63.4 Å²	63.4	49%	0.487	29%	0.285	S	S	.	.	H	α-helix	trans	-67.1	-43.6	173.6	-74.6	-174.8	175.8	-179.3	0	111.5	F851 K856 R861 E862 W863	F851-K859 HydrophobicContact CD1-CB 4.42Å; F851-K859 HydrophobicContact CD2-CB 4.4Å; F851-K859 HydrophobicContact CE1-CD 4.47Å; F851-K859 HydrophobicContact CG-CB 4.25Å; K856-K859 PolarHBondContact O-N 3.18Å; K859-R861 VanDerWaalsContact C-N 3.26Å; K859-R861 PolarHBondContact O-N 2.84Å; K859-E862 PolarHBondContact O-N 3.49Å; K859-W863 PolarHBondContact O-N 2.96Å
860	A	92.9	Very high	92	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-55.8	-44.6	178.5	0	0	0	0	0	111.5	F851 W852 K856 I857 W863 F864 F884	F851-A860 HydrophobicContact CB-CB 3.84Å; W852-A860 HydrophobicContact CB-CB 4.27Å; K856-A860 WeakPolarHBondContact O-CB 3.47Å; K856-A860 PolarHBondContact O-N 3.35Å; I857-A860 PolarHBondContact O-N 3.14Å; A860-W863 PolarHBondContact O-N 3.21Å; A860-F864 HydrophobicContact CB-CD2 4.49Å; A860-F864 HydrophobicContact CB-CE2 4.36Å; A860-F864 WeakPolarHBondContact O-CD2 3.42Å; A860-F864 PolarHBondContact O-N 3.22Å; A860-F884 HydrophobicContact CB-CE2 3.86Å; A860-F884 HydrophobicContact CB-CZ 4.05Å
861	R	92.7	Very high	91.7	Very high	47 Å²	47	67 Å²	67	18%	0.177	31%	0.306	C	S	.	.	H	α-helix	trans	-59.8	-49.3	176.5	-173.7	170.7	-66.8	125	-1.3	112.6	I857 K859 W863 F864 H865 F884 E885 H888	I857-R861 WeakPolarHBondContact O-CB 3.23Å; I857-R861 PolarHBondContact O-N 3.25Å; K859-R861 VanDerWaalsContact C-N 3.26Å; K859-R861 PolarHBondContact O-N 2.84Å; R861-W863 VanDerWaalsContact C-N 3.27Å; R861-W863 PolarHBondContact O-N 3.04Å; R861-F864 PolarHBondContact O-N 3.42Å; R861-F864 VanDerWaalsContact O-N 3.15Å; R861-H865 PolarHBondContact O-CD2 3.43Å; R861-H865 PolarHBondContact O-N 3.49Å; R861-F884 HydrophobicContact CB-CE1 3.84Å; R861-F884 HydrophobicContact CB-CZ 4.1Å; R861-F884 HydrophobicContact CG-CE1 4.33Å; R861-E885 IonicContact CZ-OE1 3.3Å; R861-E885 IonicContact CZ-OE2 2.7Å; R861-E885 IonicContact NE-OE1 3.65Å; R861-E885 PolarHBondContact NE-OE1 2.9Å; R861-E885 IonicContact NE-OE2 2.68Å; R861-E885 PolarHBondContact NE-OE2 2.93Å; R861-E885 IonicContact NH2-OE1 2.98Å; R861-E885 IonicContact NH2-OE2 3.93Å; R861-E885 PolarHBondContact NH2-OE2 3.05Å; R861-H888 PolarHBondContact NH2-O 3.43Å
862	E	94.1	Very high	91.4	Very high	98 Å²	98	68 Å²	68	46%	0.458	32%	0.317	S	S	.	.	H	α-helix	trans	-56	-43.7	176.7	-168	-159.2	147.2	0	0	111.6	T858 K859 H865 R866	T858-E862 PolarHBondContact O-N 3.48Å; K859-E862 PolarHBondContact O-N 3.49Å; E862-H865 PolarHBondContact O-N 2.93Å; E862-R866 WeakPolarHBondContact O-CB 3.46Å; E862-R866 PolarHBondContact O-N 3.48Å; E862-R866 IonicContact OE1-CZ 2.79Å; E862-R866 IonicContact OE1-NH2 3.63Å; E862-R866 PolarHBondContact OE1-NH2 3.34Å
863	W	93.4	Very high	91.2	Very high	36 Å²	36	69.6 Å²	69.6	14%	0.136	33%	0.326	C	S	.	.	H	α-helix	trans	-70.9	-33.5	178.7	-78.6	79	0	0	0	113	L834 L844 V847 A848 F851 K859 A860 R861 R866 T867	L834-W863 HydrophobicContact CD1-CH2 3.5Å; L834-W863 HydrophobicContact CD1-CZ2 4.5Å; L834-W863 HydrophobicContact CD1-CZ3 3.88Å; L834-W863 HydrophobicContact CD2-CH2 4.23Å; L834-W863 HydrophobicContact CD2-CZ3 3.89Å; L844-W863 HydrophobicContact CD2-CE3 3.9Å; L844-W863 HydrophobicContact CD2-CZ3 3.45Å; L844-W863 VanDerWaalsContact CD2-CZ3 3.45Å; V847-W863 HydrophobicContact CB-CD2 4.39Å; V847-W863 HydrophobicContact CB-CE3 3.83Å; V847-W863 HydrophobicContact CB-CZ3 4.08Å; V847-W863 HydrophobicContact CG1-CD2 3.59Å; V847-W863 HydrophobicContact CG1-CE3 3.44Å; V847-W863 VanDerWaalsContact CG1-CE3 3.44Å; V847-W863 HydrophobicContact CG1-CG 4.23Å; V847-W863 HydrophobicContact CG1-CH2 4.12Å; V847-W863 HydrophobicContact CG1-CZ2 4.24Å; V847-W863 HydrophobicContact CG1-CZ3 3.72Å; V847-W863 HydrophobicContact CG2-CZ3 4.33Å; A848-W863 HydrophobicContact CB-CB 3.95Å; F851-W863 HydrophobicContact CD2-CB 4.46Å; F851-W863 AromaticContact CD2-CD1 3.69Å; F851-W863 HydrophobicContact CD2-CD2 4.44Å; F851-W863 AromaticContact CD2-CG 3.91Å; F851-W863 HydrophobicContact CD2-CG 3.91Å; F851-W863 AromaticContact CE2-CD1 3.55Å; F851-W863 HydrophobicContact CE2-CD2 4.06Å; F851-W863 AromaticContact CE2-CE2 3.74Å; F851-W863 AromaticContact CE2-CG 3.93Å; F851-W863 HydrophobicContact CE2-CG 3.93Å; F851-W863 HydrophobicContact CE2-CZ2 4.45Å; F851-W863 AromaticContact CE2-NE1 3.4Å; K859-W863 PolarHBondContact O-N 2.96Å; A860-W863 PolarHBondContact O-N 3.21Å; R861-W863 VanDerWaalsContact C-N 3.27Å; R861-W863 PolarHBondContact O-N 3.04Å; W863-R866 PolarHBondContact O-N 3.39Å; W863-T867 WeakPolarHBondContact O-CB 3.22Å; W863-T867 PolarHBondContact O-N 3.31Å; W863-T867 PolarHBondContact O-OG1 3.12Å
864	F	92.8	Very high	91.2	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-65.3	-46.3	171.1	-79.8	-61	0	0	0	111.8	L845 A848 W852 A860 R861 R866 T867 V868 F880 F881 F884	L845-F864 HydrophobicContact CD1-CD1 4.41Å; L845-F864 HydrophobicContact CD1-CE1 3.92Å; A848-F864 HydrophobicContact CB-CD1 3.62Å; A848-F864 HydrophobicContact CB-CD2 4.09Å; A848-F864 HydrophobicContact CB-CE1 3.6Å; A848-F864 HydrophobicContact CB-CE2 4.06Å; A848-F864 HydrophobicContact CB-CG 3.86Å; A848-F864 HydrophobicContact CB-CZ 3.83Å; W852-F864 HydrophobicContact CB-CE2 4.49Å; W852-F864 HydrophobicContact CE3-CZ 4.33Å; A860-F864 HydrophobicContact CB-CD2 4.49Å; A860-F864 HydrophobicContact CB-CE2 4.36Å; A860-F864 WeakPolarHBondContact O-CD2 3.42Å; A860-F864 PolarHBondContact O-N 3.22Å; R861-F864 PolarHBondContact O-N 3.42Å; R861-F864 VanDerWaalsContact O-N 3.15Å; F864-R866 VanDerWaalsContact C-N 3.29Å; F864-R866 PolarHBondContact O-N 3.19Å; F864-T867 WeakPolarHBondContact O-CB 3.48Å; F864-T867 PolarHBondContact O-N 3.46Å; F864-T867 VanDerWaalsContact O-N 3.11Å; F864-V868 WeakPolarHBondContact O-CG2 3.32Å; F864-V868 PolarHBondContact O-N 2.79Å; F864-F880 HydrophobicContact CE1-CB 3.94Å; F864-F880 HydrophobicContact CZ-CB 4.38Å; F864-F881 HydrophobicContact CB-CB 4.41Å; F864-F881 HydrophobicContact CB-CD2 3.39Å; F864-F881 HydrophobicContact CB-CE2 3.64Å; F864-F881 HydrophobicContact CB-CG 3.91Å; F864-F881 HydrophobicContact CB-CZ 4.32Å; F864-F881 HydrophobicContact CD1-CB 3.99Å; F864-F881 HydrophobicContact CD1-CD2 4.28Å; F864-F881 HydrophobicContact CD1-CG 4.39Å; F864-F881 HydrophobicContact CD2-CD2 4.13Å; F864-F881 HydrophobicContact CG-CB 4.3Å; F864-F881 AromaticContact CG-CD2 3.71Å; F864-F881 HydrophobicContact CG-CD2 3.71Å; F864-F881 HydrophobicContact CG-CE2 4.36Å; F864-F881 HydrophobicContact CG-CG 4.23Å; F864-F884 HydrophobicContact CD2-CB 4.24Å; F864-F884 AromaticContact CD2-CD1 3.7Å; F864-F884 HydrophobicContact CD2-CD1 3.7Å; F864-F884 HydrophobicContact CD2-CD2 4.41Å; F864-F884 HydrophobicContact CD2-CE1 4.15Å; F864-F884 AromaticContact CD2-CG 3.84Å; F864-F884 HydrophobicContact CD2-CG 3.84Å; F864-F884 HydrophobicContact CE2-CB 3.67Å; F864-F884 AromaticContact CE2-CD1 3.88Å; F864-F884 HydrophobicContact CE2-CD1 3.88Å; F864-F884 AromaticContact CE2-CD2 3.85Å; F864-F884 HydrophobicContact CE2-CD2 3.85Å; F864-F884 HydrophobicContact CE2-CE2 4.49Å; F864-F884 AromaticContact CE2-CG 3.5Å; F864-F884 HydrophobicContact CE2-CG 3.5Å; F864-F884 HydrophobicContact CZ-CB 4.12Å; F864-F884 HydrophobicContact CZ-CG 4.42Å
865	H	92.6	Very high	91.1	Very high	56 Å²	56	64.6 Å²	64.6	26%	0.259	30%	0.299	S	S	.	.	H	α-helix	trans	-58.2	-42.9	174	-74.4	-72.4	0	0	0	111.7	R861 E862 T867 V868 K869 F881 R900	R861-H865 PolarHBondContact O-CD2 3.43Å; R861-H865 PolarHBondContact O-N 3.49Å; E862-H865 PolarHBondContact O-N 2.93Å; H865-T867 VanDerWaalsContact C-N 3.34Å; H865-T867 PolarHBondContact O-N 2.79Å; H865-V868 WeakPolarHBondContact O-CG2 3.3Å; H865-K869 VanDerWaalsContact O-CB 3.26Å; H865-K869 WeakPolarHBondContact O-CB 3.4Å; H865-K869 PolarHBondContact O-N 3.22Å; H865-F881 AromaticContact CE1-CZ 3.74Å; H865-F881 AromaticContact ND1-CZ 3.84Å; H865-R900 PolarHBondContact CE1-NH1 2.89Å; H865-R900 PolarHBondContact CE1-NH2 3.39Å; H865-R900 PolarHBondContact ND1-NH1 3.17Å; H865-R900 VanDerWaalsContact ND1-NH1 3.16Å
866	R	91.9	Very high	90.9	Very high	104 Å²	104	55 Å²	55	39%	0.392	26%	0.264	S	S	.	.	H	α-helix	trans	-61	-43.2	175	-166.6	-178.7	-61	-165.5	0.6	111.6	L844 E862 W863 F864 K869 I870	L844-R866 HydrophobicContact CD1-CG 4.31Å; E862-R866 WeakPolarHBondContact O-CB 3.46Å; E862-R866 PolarHBondContact O-N 3.48Å; E862-R866 IonicContact OE1-CZ 2.79Å; E862-R866 IonicContact OE1-NH2 3.63Å; E862-R866 PolarHBondContact OE1-NH2 3.34Å; W863-R866 PolarHBondContact O-N 3.39Å; F864-R866 VanDerWaalsContact C-N 3.29Å; F864-R866 PolarHBondContact O-N 3.19Å; R866-K869 PolarHBondContact O-N 3.18Å; R866-I870 VanDerWaalsContact O-CG1 3.32Å; R866-I870 WeakPolarHBondContact O-CG1 3.48Å; R866-I870 PolarHBondContact O-N 2.87Å; R866-I870 VanDerWaalsContact O-N 3.11Å
867	T	91.2	Very high	90.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.4	-53.2	179.3	-56.5	0	0	0	0	111.3	P841 L844 L845 W863 F864 H865 K869 I870 D871 A877	P841-T867 WeakPolarHBondContact O-CG2 3.42Å; L844-T867 VanDerWaalsContact C-OG1 3.3Å; L844-T867 HydrophobicContact CB-CG2 4.22Å; L844-T867 VanDerWaalsContact CB-OG1 3.3Å; L844-T867 WeakPolarHBondContact CB-OG1 3.34Å; L845-T867 HydrophobicContact CB-CG2 3.93Å; L845-T867 PolarHBondContact N-OG1 3.49Å; W863-T867 WeakPolarHBondContact O-CB 3.22Å; W863-T867 PolarHBondContact O-N 3.31Å; W863-T867 PolarHBondContact O-OG1 3.12Å; F864-T867 WeakPolarHBondContact O-CB 3.48Å; F864-T867 PolarHBondContact O-N 3.46Å; F864-T867 VanDerWaalsContact O-N 3.11Å; H865-T867 VanDerWaalsContact C-N 3.34Å; H865-T867 PolarHBondContact O-N 2.79Å; T867-K869 PolarHBondContact O-N 3.49Å; T867-I870 PolarHBondContact O-N 3.11Å; T867-D871 PolarHBondContact O-N 3.47Å; T867-A877 HydrophobicContact CG2-CB 3.74Å
868	V	90.6	Very high	90.6	Very high	10 Å²	10	47.8 Å²	47.8	6%	0.061	23%	0.23	C	C	.	.	H	α-helix	trans	-71.7	-19.2	-177.2	-59.6	0	0	0	0	113.4	F864 H865 D871 S872 A877 W878 F881	F864-V868 WeakPolarHBondContact O-CG2 3.32Å; F864-V868 PolarHBondContact O-N 2.79Å; H865-V868 WeakPolarHBondContact O-CG2 3.3Å; V868-D871 CarbonylContact O-C 3.43Å; V868-S872 WeakPolarHBondContact O-CA 3.32Å; V868-S872 WeakPolarHBondContact O-CB 3.32Å; V868-S872 PolarHBondContact O-N 3.22Å; V868-A877 HydrophobicContact CG1-CB 4.25Å; V868-W878 HydrophobicContact CB-CE3 4.47Å; V868-W878 HydrophobicContact CB-CH2 3.55Å; V868-W878 HydrophobicContact CB-CZ2 3.65Å; V868-W878 HydrophobicContact CB-CZ3 4.01Å; V868-W878 HydrophobicContact CG1-CD2 3.96Å; V868-W878 HydrophobicContact CG1-CE3 3.91Å; V868-W878 HydrophobicContact CG1-CH2 3.92Å; V868-W878 HydrophobicContact CG1-CZ2 4.01Å; V868-W878 HydrophobicContact CG1-CZ3 3.88Å; V868-W878 HydrophobicContact CG2-CH2 3.79Å; V868-W878 HydrophobicContact CG2-CZ2 4.37Å; V868-W878 HydrophobicContact CG2-CZ3 4.14Å; V868-F881 HydrophobicContact CG1-CD1 4Å; V868-F881 HydrophobicContact CG2-CE1 4.29Å
869	K	90.1	Very high	90.5	Very high	182 Å²	182	42.7 Å²	42.7	79%	0.791	20%	0.199	S	C	*	.	H	α-helix	trans	-79.8	-35	175.3	-175	61	175.9	-179.3	0	112.5	H865 R866 T867	H865-K869 VanDerWaalsContact O-CB 3.26Å; H865-K869 WeakPolarHBondContact O-CB 3.4Å; H865-K869 PolarHBondContact O-N 3.22Å; R866-K869 PolarHBondContact O-N 3.18Å; T867-K869 PolarHBondContact O-N 3.49Å
870	I	89.6	Confident	90.3	Very high	82 Å²	82	38.2 Å²	38.2	42%	0.421	18%	0.179	S	C	.	.	H	α-helix	trans	-71.1	-48.6	176.9	-68.4	-65.5	0	0	0	110.5	H839 L844 R866 T867	H839-I870 VanDerWaalsContact O-CG2 3.28Å; H839-I870 WeakPolarHBondContact O-CG2 3.23Å; L844-I870 HydrophobicContact CD1-CB 4.14Å; L844-I870 HydrophobicContact CD1-CG1 3.71Å; L844-I870 HydrophobicContact CD1-CG2 4.46Å; R866-I870 VanDerWaalsContact O-CG1 3.32Å; R866-I870 WeakPolarHBondContact O-CG1 3.48Å; R866-I870 PolarHBondContact O-N 2.87Å; R866-I870 VanDerWaalsContact O-N 3.11Å; T867-I870 PolarHBondContact O-N 3.11Å
871	D	86.1	Confident	90.3	Very high	52 Å²	52	38.2 Å²	38.2	28%	0.278	18%	0.179	S	C	.	.			trans	-139.4	108.8	173.3	-172	1.7	0	0	0	110.5	P841 T867 V868 D873	P841-D871 HydrophobicContact CB-CB 3.63Å; P841-D871 HydrophobicContact CG-CB 3.68Å; T867-D871 PolarHBondContact O-N 3.47Å; V868-D871 CarbonylContact O-C 3.43Å; D871-D873 VanDerWaalsContact C-N 3.35Å; D871-D873 WeakPolarHBondContact OD1-CA 3.37Å; D871-D873 VanDerWaalsContact OD1-CB 3.29Å; D871-D873 WeakPolarHBondContact OD1-CB 3.15Å; D871-D873 PolarHBondContact OD1-N 2.82Å
872	S	86.6	Confident	90.2	Very high	53 Å²	53	37.1 Å²	37.1	37%	0.371	18%	0.175	S	C	.	.	S	Bend	trans	-84.5	-9.2	175.7	62.8	0	0	0	0	112.9	V868 L874 W878 A904	V868-S872 WeakPolarHBondContact O-CA 3.32Å; V868-S872 WeakPolarHBondContact O-CB 3.32Å; V868-S872 PolarHBondContact O-N 3.22Å; S872-L874 VanDerWaalsContact C-N 3.34Å; S872-W878 PolarHBondContact O-NE1 3.14Å; S872-A904 WeakPolarHBondContact O-CB 3.11Å
873	D	88.9	Confident	90.1	Very high	45 Å²	45	33.2 Å²	33.2	24%	0.241	16%	0.157	C	C	.	.	S	Bend	trans	-84.3	-10.8	-179.5	-167.5	25.6	0	0	0	112.7	D871 G875 P906 R907 H908	D871-D873 VanDerWaalsContact C-N 3.35Å; D871-D873 WeakPolarHBondContact OD1-CA 3.37Å; D871-D873 VanDerWaalsContact OD1-CB 3.29Å; D871-D873 WeakPolarHBondContact OD1-CB 3.15Å; D871-D873 PolarHBondContact OD1-N 2.82Å; D873-G875 PolarHBondContact O-N 3.2Å; D873-P906 WeakPolarHBondContact O-CA 3.49Å; D873-P906 VanDerWaalsContact O-CB 3.27Å; D873-P906 WeakPolarHBondContact O-CB 3.32Å; D873-P906 WeakPolarHBondContact OD1-CA 3.47Å; D873-R907 PolarHBondContact O-N 3Å; D873-R907 VanDerWaalsContact O-N 3.09Å; D873-R907 WeakPolarHBondContact OD1-CB 3.4Å; D873-R907 PolarHBondContact OD1-N 3.2Å; D873-H908 PolarHBondContact O-N 3.49Å; D873-H908 VanDerWaalsContact O-N 3.11Å; D873-H908 IonicContact OD2-CE1 3.55Å; D873-H908 PolarHBondContact OD2-CE1 3.42Å; D873-H908 VanDerWaalsContact OD2-CE1 3.25Å; D873-H908 IonicContact OD2-CG 3.94Å; D873-H908 IonicContact OD2-ND1 3.79Å; D873-H908 PolarHBondContact OD2-ND1 3.25Å
874	L	88.4	Confident	90	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-81.6	101.3	177.9	-158.4	170.5	0	0	0	111.1	P841 L845 S872 D876 A877	P841-L874 HydrophobicContact CB-CD1 3.66Å; P841-L874 HydrophobicContact CG-CD1 3.65Å; L845-L874 HydrophobicContact CD2-CD2 4.29Å; S872-L874 VanDerWaalsContact C-N 3.34Å; L874-D876 HydrophobicContact CD2-CB 3.6Å; L874-D876 PolarHBondContact O-N 3.18Å; L874-A877 HydrophobicContact CB-CB 4.42Å; L874-A877 HydrophobicContact CD2-CB 3.98Å; L874-A877 VanDerWaalsContact CD2-N 3.27Å; L874-A877 WeakPolarHBondContact O-CB 3.22Å; L874-A877 PolarHBondContact O-N 3.15Å; L874-A877 VanDerWaalsContact O-N 3.16Å
875	G	86.5	Confident	89.9	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65	-32	-177.1	0	0	0	0	0	115.1	D873 A877 W878 A879 H908	D873-G875 PolarHBondContact O-N 3.2Å; G875-A877 VanDerWaalsContact C-N 3.25Å; G875-A877 PolarHBondContact O-N 3.4Å; G875-W878 PolarHBondContact O-N 3.48Å; G875-A879 PolarHBondContact O-N 3.14Å; G875-H908 WeakPolarHBondContact CA-O 3.41Å; G875-H908 PolarHBondContact N-O 3.25Å
876	D	86.9	Confident	89.7	Confident	13 Å²	13	32.8 Å²	32.8	7%	0.07	16%	0.159	C	C	.	.	H	α-helix	trans	-63.6	-33	175.1	-56.4	-18.4	0	0	0	111.5	L845 L874 A879 F880 G909 E910 L911 W912	L845-D876 HydrophobicContact CD2-CB 4.13Å; L874-D876 HydrophobicContact CD2-CB 3.6Å; L874-D876 PolarHBondContact O-N 3.18Å; D876-A879 WeakPolarHBondContact O-CB 3.36Å; D876-A879 PolarHBondContact O-N 2.79Å; D876-F880 HydrophobicContact CB-CD2 4.42Å; D876-F880 HydrophobicContact CB-CE2 4.3Å; D876-F880 WeakPolarHBondContact O-CD2 3.47Å; D876-F880 PolarHBondContact O-N 3.41Å; D876-G909 VanDerWaalsContact CG-CA 3.5Å; D876-G909 WeakPolarHBondContact OD1-CA 3.19Å; D876-G909 WeakPolarHBondContact OD2-CA 3.26Å; D876-E910 PolarHBondContact OD1-N 2.85Å; D876-E910 PolarHBondContact OD2-N 2.85Å; D876-L911 WeakPolarHBondContact OD1-CA 3.44Å; D876-L911 WeakPolarHBondContact OD1-CB 3.36Å; D876-L911 PolarHBondContact OD1-N 3.24Å; D876-W912 PolarHBondContact OD1-N 3.27Å
877	A	90.3	Very high	89.6	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.7	-45	177.9	0	0	0	0	0	110.5	L845 T867 V868 L874 G875 F881	L845-A877 HydrophobicContact CD1-CB 4.33Å; L845-A877 HydrophobicContact CD2-CB 4.39Å; T867-A877 HydrophobicContact CG2-CB 3.74Å; V868-A877 HydrophobicContact CG1-CB 4.25Å; L874-A877 HydrophobicContact CB-CB 4.42Å; L874-A877 HydrophobicContact CD2-CB 3.98Å; L874-A877 VanDerWaalsContact CD2-N 3.27Å; L874-A877 WeakPolarHBondContact O-CB 3.22Å; L874-A877 PolarHBondContact O-N 3.15Å; L874-A877 VanDerWaalsContact O-N 3.16Å; G875-A877 VanDerWaalsContact C-N 3.25Å; G875-A877 PolarHBondContact O-N 3.4Å; A877-F881 WeakPolarHBondContact O-CB 3.42Å; A877-F881 PolarHBondContact O-N 3.07Å
878	W	90.9	Very high	89.5	Confident	6 Å²	6	35.8 Å²	35.8	2%	0.023	18%	0.177	C	C	.	.	H	α-helix	trans	-64.3	-39.7	173.2	-63	107.7	0	0	0	112.6	V868 S872 G875 F881 Y882 V897 R900 C901 A904 L930	V868-W878 HydrophobicContact CB-CE3 4.47Å; V868-W878 HydrophobicContact CB-CH2 3.55Å; V868-W878 HydrophobicContact CB-CZ2 3.65Å; V868-W878 HydrophobicContact CB-CZ3 4.01Å; V868-W878 HydrophobicContact CG1-CD2 3.96Å; V868-W878 HydrophobicContact CG1-CE3 3.91Å; V868-W878 HydrophobicContact CG1-CH2 3.92Å; V868-W878 HydrophobicContact CG1-CZ2 4.01Å; V868-W878 HydrophobicContact CG1-CZ3 3.88Å; V868-W878 HydrophobicContact CG2-CH2 3.79Å; V868-W878 HydrophobicContact CG2-CZ2 4.37Å; V868-W878 HydrophobicContact CG2-CZ3 4.14Å; S872-W878 PolarHBondContact O-NE1 3.14Å; G875-W878 PolarHBondContact O-N 3.48Å; W878-F881 HydrophobicContact CE3-CD1 4.17Å; W878-F881 HydrophobicContact CZ3-CD1 4.12Å; W878-F881 HydrophobicContact CZ3-CE1 4.4Å; W878-F881 PolarHBondContact O-N 3.32Å; W878-Y882 VanDerWaalsContact O-CB 3.3Å; W878-Y882 WeakPolarHBondContact O-CB 3.45Å; W878-Y882 PolarHBondContact O-N 3.16Å; W878-V897 HydrophobicContact CE3-CG1 3.9Å; W878-V897 HydrophobicContact CZ3-CG1 4.28Å; W878-R900 HydrophobicContact CH2-CB 3.42Å; W878-R900 VanDerWaalsContact CH2-CB 3.42Å; W878-R900 HydrophobicContact CH2-CG 4.49Å; W878-R900 HydrophobicContact CZ2-CB 4.38Å; W878-R900 HydrophobicContact CZ3-CB 3.62Å; W878-C901 HydrophobicContact CB-CB 4.31Å; W878-C901 HydrophobicContact CD2-CB 3.88Å; W878-C901 HydrophobicContact CE3-CB 3.92Å; W878-C901 HydrophobicContact CG-CB 4.06Å; W878-A904 HydrophobicContact CZ2-CB 4.28Å; W878-L930 HydrophobicContact CB-CD1 3.84Å
879	A	89.8	Confident	89.3	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.2	-49.4	178.8	0	0	0	0	0	112.1	G875 D876 K883 V933 I937	G875-A879 PolarHBondContact O-N 3.14Å; D876-A879 WeakPolarHBondContact O-CB 3.36Å; D876-A879 PolarHBondContact O-N 2.79Å; A879-K883 WeakPolarHBondContact O-CB 3.49Å; A879-K883 PolarHBondContact O-N 3.25Å; A879-K883 VanDerWaalsContact O-N 3.14Å; A879-V933 HydrophobicContact CB-CB 3.93Å; A879-V933 HydrophobicContact CB-CG2 3.36Å; A879-I937 HydrophobicContact CB-CD1 4.11Å
880	F	90.9	Very high	89.4	Confident	18 Å²	18	31.3 Å²	31.3	8%	0.079	17%	0.169	C	C	.	.	H	α-helix	trans	-69.6	-35.5	176.8	-71.7	-66.9	0	0	0	111.9	L845 K849 W852 F864 D876 F884 L911 I937	L845-F880 HydrophobicContact CD1-CB 3.98Å; L845-F880 HydrophobicContact CD1-CD2 3.89Å; L845-F880 HydrophobicContact CD1-CG 4.28Å; L845-F880 HydrophobicContact CD2-CD2 3.93Å; L845-F880 HydrophobicContact CD2-CE2 4.32Å; L845-F880 HydrophobicContact CG-CD2 4.19Å; K849-F880 HydrophobicContact CD-CD1 3.98Å; K849-F880 HydrophobicContact CD-CD2 4.08Å; K849-F880 HydrophobicContact CD-CE1 3.89Å; K849-F880 HydrophobicContact CD-CE2 4.02Å; K849-F880 HydrophobicContact CD-CG 4.09Å; K849-F880 HydrophobicContact CD-CZ 3.92Å; K849-F880 HydrophobicContact CG-CD1 4.36Å; K849-F880 HydrophobicContact CG-CG 4.36Å; W852-F880 HydrophobicContact CZ3-CD1 4.2Å; F864-F880 HydrophobicContact CE1-CB 3.94Å; F864-F880 HydrophobicContact CZ-CB 4.38Å; D876-F880 HydrophobicContact CB-CD2 4.42Å; D876-F880 HydrophobicContact CB-CE2 4.3Å; D876-F880 WeakPolarHBondContact O-CD2 3.47Å; D876-F880 PolarHBondContact O-N 3.41Å; F880-F884 VanDerWaalsContact O-CB 3.28Å; F880-F884 WeakPolarHBondContact O-CB 3.1Å; F880-F884 PolarHBondContact O-N 2.88Å; F880-L911 HydrophobicContact CE2-CD1 3.89Å; F880-L911 HydrophobicContact CZ-CD1 3.66Å; F880-I937 HydrophobicContact CD1-CD1 3.72Å; F880-I937 HydrophobicContact CD1-CG2 4.28Å; F880-I937 HydrophobicContact CE1-CD1 3.74Å; F880-I937 HydrophobicContact CE1-CG1 4.08Å; F880-I937 HydrophobicContact CE1-CG2 3.74Å; F880-I937 HydrophobicContact CG-CD1 4.27Å; F880-I937 HydrophobicContact CZ-CD1 4.3Å
881	F	91.8	Very high	89.4	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-68	-46.3	179.3	-173.8	-155.4	0	0	0	112.2	F864 H865 V868 A877 W878 K883 F884 E885 V897	F864-F881 HydrophobicContact CB-CB 4.41Å; F864-F881 HydrophobicContact CB-CD2 3.39Å; F864-F881 HydrophobicContact CB-CE2 3.64Å; F864-F881 HydrophobicContact CB-CG 3.91Å; F864-F881 HydrophobicContact CB-CZ 4.32Å; F864-F881 HydrophobicContact CD1-CB 3.99Å; F864-F881 HydrophobicContact CD1-CD2 4.28Å; F864-F881 HydrophobicContact CD1-CG 4.39Å; F864-F881 HydrophobicContact CD2-CD2 4.13Å; F864-F881 HydrophobicContact CG-CB 4.3Å; F864-F881 AromaticContact CG-CD2 3.71Å; F864-F881 HydrophobicContact CG-CD2 3.71Å; F864-F881 HydrophobicContact CG-CE2 4.36Å; F864-F881 HydrophobicContact CG-CG 4.23Å; H865-F881 AromaticContact CE1-CZ 3.74Å; H865-F881 AromaticContact ND1-CZ 3.84Å; V868-F881 HydrophobicContact CG1-CD1 4Å; V868-F881 HydrophobicContact CG2-CE1 4.29Å; A877-F881 WeakPolarHBondContact O-CB 3.42Å; A877-F881 PolarHBondContact O-N 3.07Å; W878-F881 HydrophobicContact CE3-CD1 4.17Å; W878-F881 HydrophobicContact CZ3-CD1 4.12Å; W878-F881 HydrophobicContact CZ3-CE1 4.4Å; W878-F881 PolarHBondContact O-N 3.32Å; F881-K883 VanDerWaalsContact C-N 3.32Å; F881-K883 PolarHBondContact O-N 2.75Å; F881-F884 HydrophobicContact CD2-CD1 4.19Å; F881-F884 HydrophobicContact CE2-CD1 4.42Å; F881-F884 WeakPolarHBondContact O-CB 3.42Å; F881-F884 PolarHBondContact O-N 2.9Å; F881-E885 HydrophobicContact CD2-CG 4.07Å; F881-E885 HydrophobicContact CE2-CG 3.82Å; F881-E885 WeakPolarHBondContact CE2-OE1 3.4Å; F881-E885 PolarHBondContact O-N 3.34Å; F881-V897 HydrophobicContact CB-CG1 4.34Å; F881-V897 HydrophobicContact CD1-CB 4.23Å; F881-V897 HydrophobicContact CD1-CG1 3.59Å; F881-V897 HydrophobicContact CD1-CG2 3.59Å; F881-V897 HydrophobicContact CD2-CG2 4.2Å; F881-V897 HydrophobicContact CE1-CB 4.31Å; F881-V897 HydrophobicContact CE1-CG1 4.15Å; F881-V897 HydrophobicContact CE1-CG2 3.35Å; F881-V897 HydrophobicContact CE2-CG2 3.99Å; F881-V897 HydrophobicContact CG-CG1 4.03Å; F881-V897 HydrophobicContact CG-CG2 4.02Å; F881-V897 HydrophobicContact CZ-CG2 3.56Å
882	Y	91.4	Very high	89.7	Confident	23 Å²	23	39 Å²	39	9%	0.09	20%	0.201	C	C	.	.	H	α-helix	trans	-62.4	-41.5	176.2	-176.5	-112.3	0	0	0	111.2	W878 F884 E885 L886 Q894 V897 L930 R931 A934	W878-Y882 VanDerWaalsContact O-CB 3.3Å; W878-Y882 WeakPolarHBondContact O-CB 3.45Å; W878-Y882 PolarHBondContact O-N 3.16Å; Y882-F884 VanDerWaalsContact C-N 3.35Å; Y882-F884 PolarHBondContact O-N 3.36Å; Y882-E885 PolarHBondContact O-N 3.27Å; Y882-L886 HydrophobicContact CD1-CD1 3.71Å; Y882-L886 HydrophobicContact CD1-CG 4.35Å; Y882-L886 HydrophobicContact CE1-CD1 3.38Å; Y882-L886 HydrophobicContact CE1-CD2 4.46Å; Y882-L886 HydrophobicContact CE1-CG 4.04Å; Y882-L886 HydrophobicContact CE2-CG 4.48Å; Y882-L886 HydrophobicContact CG-CD1 4.47Å; Y882-L886 WeakPolarHBondContact O-CB 3.2Å; Y882-L886 WeakPolarHBondContact O-CG 3.18Å; Y882-L886 PolarHBondContact O-N 2.96Å; Y882-Q894 HydrophobicContact CE2-CB 4.28Å; Y882-V897 HydrophobicContact CD2-CB 4.46Å; Y882-V897 HydrophobicContact CD2-CG1 4.37Å; Y882-L930 HydrophobicContact CD1-CD2 4.38Å; Y882-L930 HydrophobicContact CD1-CG 4.15Å; Y882-L930 HydrophobicContact CD2-CD2 4.24Å; Y882-L930 HydrophobicContact CG-CD2 4Å; Y882-L930 HydrophobicContact CG-CG 4.15Å; Y882-R931 HydrophobicContact CE1-CG 4.05Å; Y882-A934 HydrophobicContact CD1-CB 3.79Å; Y882-A934 HydrophobicContact CE1-CB 4.43Å
883	K	90.9	Very high	89.7	Confident	17 Å²	17	39 Å²	39	7%	0.074	20%	0.196	C	C	.	.	H	α-helix	trans	-64.4	-38.6	175	-172.4	175.9	177.6	-172.8	0	113	W852 A879 F881 L886 Q887 A934 I937 N939	W852-K883 HydrophobicContact CH2-CB 4.36Å; W852-K883 HydrophobicContact CH2-CD 3.93Å; W852-K883 HydrophobicContact CH2-CG 3.92Å; W852-K883 HydrophobicContact CZ2-CG 4.48Å; A879-K883 WeakPolarHBondContact O-CB 3.49Å; A879-K883 PolarHBondContact O-N 3.25Å; A879-K883 VanDerWaalsContact O-N 3.14Å; F881-K883 VanDerWaalsContact C-N 3.32Å; F881-K883 PolarHBondContact O-N 2.75Å; K883-L886 PolarHBondContact O-N 3.14Å; K883-Q887 PolarHBondContact O-N 2.81Å; K883-A934 HydrophobicContact CB-CB 4.21Å; K883-A934 WeakPolarHBondContact CD-O 3.41Å; K883-I937 HydrophobicContact CD-CB 3.77Å; K883-I937 HydrophobicContact CD-CD1 4.17Å; K883-I937 HydrophobicContact CD-CG2 3.84Å; K883-I937 VanDerWaalsContact NZ-CG2 3.33Å; K883-I937 PolarHBondContact NZ-O 2.86Å; K883-N939 WeakPolarHBondContact CE-OD1 3.46Å; K883-N939 PolarHBondContact NZ-OD1 3.07Å
884	F	91.8	Very high	89.7	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.5	-46.1	175.6	164.1	-100.1	0	0	0	111.3	W852 I857 A860 R861 F864 F880 F881 Y882 Q887 H888	W852-F884 HydrophobicContact CB-CD2 4.37Å; W852-F884 AromaticContact CD1-CD2 3.69Å; W852-F884 HydrophobicContact CD2-CB 4.48Å; W852-F884 HydrophobicContact CD2-CD2 4.18Å; W852-F884 AromaticContact CG-CD2 3.85Å; W852-F884 HydrophobicContact CG-CD2 3.85Å; W852-F884 HydrophobicContact CG-CE2 4.48Å; W852-F884 AromaticContact NE1-CD2 3.92Å; I857-F884 HydrophobicContact CB-CE2 4.41Å; I857-F884 HydrophobicContact CB-CZ 4.34Å; I857-F884 HydrophobicContact CG2-CE2 4.31Å; I857-F884 WeakPolarHBondContact O-CZ 3.45Å; A860-F884 HydrophobicContact CB-CE2 3.86Å; A860-F884 HydrophobicContact CB-CZ 4.05Å; R861-F884 HydrophobicContact CB-CE1 3.84Å; R861-F884 HydrophobicContact CB-CZ 4.1Å; R861-F884 HydrophobicContact CG-CE1 4.33Å; F864-F884 HydrophobicContact CD2-CB 4.24Å; F864-F884 AromaticContact CD2-CD1 3.7Å; F864-F884 HydrophobicContact CD2-CD1 3.7Å; F864-F884 HydrophobicContact CD2-CD2 4.41Å; F864-F884 HydrophobicContact CD2-CE1 4.15Å; F864-F884 AromaticContact CD2-CG 3.84Å; F864-F884 HydrophobicContact CD2-CG 3.84Å; F864-F884 HydrophobicContact CE2-CB 3.67Å; F864-F884 AromaticContact CE2-CD1 3.88Å; F864-F884 HydrophobicContact CE2-CD1 3.88Å; F864-F884 AromaticContact CE2-CD2 3.85Å; F864-F884 HydrophobicContact CE2-CD2 3.85Å; F864-F884 HydrophobicContact CE2-CE2 4.49Å; F864-F884 AromaticContact CE2-CG 3.5Å; F864-F884 HydrophobicContact CE2-CG 3.5Å; F864-F884 HydrophobicContact CZ-CB 4.12Å; F864-F884 HydrophobicContact CZ-CG 4.42Å; F880-F884 VanDerWaalsContact O-CB 3.28Å; F880-F884 WeakPolarHBondContact O-CB 3.1Å; F880-F884 PolarHBondContact O-N 2.88Å; F881-F884 HydrophobicContact CD2-CD1 4.19Å; F881-F884 HydrophobicContact CE2-CD1 4.42Å; F881-F884 WeakPolarHBondContact O-CB 3.42Å; F881-F884 PolarHBondContact O-N 2.9Å; Y882-F884 VanDerWaalsContact C-N 3.35Å; Y882-F884 PolarHBondContact O-N 3.36Å; F884-Q887 PolarHBondContact O-N 3.11Å; F884-Q887 VanDerWaalsContact O-N 3.12Å; F884-H888 AromaticContact CD2-CD2 3.79Å; F884-H888 HydrophobicContact CE2-CB 4.25Å; F884-H888 AromaticContact CE2-CD2 3.76Å; F884-H888 HydrophobicContact CZ-CB 4.48Å; F884-H888 PolarHBondContact O-N 3.32Å
885	E	90.7	Very high	89.6	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-71.4	-30.4	178.7	-63.5	-60	174.9	0	0	112.8	R861 F881 Y882 Q887 G889 Q893 Q894 V897	R861-E885 IonicContact CZ-OE1 3.3Å; R861-E885 IonicContact CZ-OE2 2.7Å; R861-E885 IonicContact NE-OE1 3.65Å; R861-E885 PolarHBondContact NE-OE1 2.9Å; R861-E885 IonicContact NE-OE2 2.68Å; R861-E885 PolarHBondContact NE-OE2 2.93Å; R861-E885 IonicContact NH2-OE1 2.98Å; R861-E885 IonicContact NH2-OE2 3.93Å; R861-E885 PolarHBondContact NH2-OE2 3.05Å; F881-E885 HydrophobicContact CD2-CG 4.07Å; F881-E885 HydrophobicContact CE2-CG 3.82Å; F881-E885 WeakPolarHBondContact CE2-OE1 3.4Å; F881-E885 PolarHBondContact O-N 3.34Å; Y882-E885 PolarHBondContact O-N 3.27Å; E885-Q887 PolarHBondContact O-N 2.83Å; E885-G889 WeakPolarHBondContact O-CA 3.22Å; E885-G889 PolarHBondContact O-N 3.47Å; E885-G889 WeakPolarHBondContact OE2-CA 3.42Å; E885-Q893 HydrophobicContact CG-CB 4.5Å; E885-Q893 PolarHBondContact OE2-OE1 3.04Å; E885-Q894 HydrophobicContact CB-CG 4.31Å; E885-V897 HydrophobicContact CG-CG2 3.93Å
886	L	89.2	Confident	89.5	Confident	82 Å²	82	47 Å²	47	43%	0.429	23%	0.232	S	C	.	.	H	α-helix	trans	-61.9	-28.2	168.9	-77.6	171.1	0	0	0	112.9	Y882 K883 Q894	Y882-L886 HydrophobicContact CD1-CD1 3.71Å; Y882-L886 HydrophobicContact CD1-CG 4.35Å; Y882-L886 HydrophobicContact CE1-CD1 3.38Å; Y882-L886 HydrophobicContact CE1-CD2 4.46Å; Y882-L886 HydrophobicContact CE1-CG 4.04Å; Y882-L886 HydrophobicContact CE2-CG 4.48Å; Y882-L886 HydrophobicContact CG-CD1 4.47Å; Y882-L886 WeakPolarHBondContact O-CB 3.2Å; Y882-L886 WeakPolarHBondContact O-CG 3.18Å; Y882-L886 PolarHBondContact O-N 2.96Å; K883-L886 PolarHBondContact O-N 3.14Å; L886-Q894 HydrophobicContact CD2-CG 4.39Å; L886-Q894 VanDerWaalsContact CD2-OE1 3.31Å
887	Q	89.8	Confident	89.6	Confident	100 Å²	100	46.4 Å²	46.4	47%	0.467	23%	0.228	S	C	.	.	H	α-helix	trans	-91.6	-30.3	-178.7	-169.2	176.9	-21.3	0	0	113.2	W852 K883 F884 E885	W852-Q887 VanDerWaalsContact CZ2-OE1 3.26Å; K883-Q887 PolarHBondContact O-N 2.81Å; F884-Q887 PolarHBondContact O-N 3.11Å; F884-Q887 VanDerWaalsContact O-N 3.12Å; E885-Q887 PolarHBondContact O-N 2.83Å
888	H	88.4	Confident	89.5	Confident	66 Å²	66	50.6 Å²	50.6	31%	0.306	24%	0.244	S	C	.	.	H	α-helix	trans	-137	-2.5	-167.3	-61.3	-55.6	0	0	0	115.2	W852 I857 R861 F884	W852-H888 AromaticContact CD1-CD2 3.82Å; W852-H888 AromaticContact CD1-NE2 3.65Å; W852-H888 AromaticContact NE1-CD2 3.48Å; W852-H888 PolarHBondContact NE1-CD2 3.39Å; W852-H888 AromaticContact NE1-NE2 3.25Å; W852-H888 PolarHBondContact NE1-NE2 3.16Å; I857-H888 HydrophobicContact CG2-CB 4.16Å; R861-H888 PolarHBondContact NH2-O 3.43Å; F884-H888 AromaticContact CD2-CD2 3.79Å; F884-H888 HydrophobicContact CE2-CB 4.25Å; F884-H888 AromaticContact CE2-CD2 3.76Å; F884-H888 HydrophobicContact CZ-CB 4.48Å; F884-H888 PolarHBondContact O-N 3.32Å
889	G	87.4	Confident	89.2	Confident	21 Å²	21	56.1 Å²	56.1	22%	0.216	27%	0.268	C	S	.	.	S	Bend	trans	-106.4	167.4	-174.6	0	0	0	0	0	113.9	E885 Q893	E885-G889 WeakPolarHBondContact O-CA 3.22Å; E885-G889 PolarHBondContact O-N 3.47Å; E885-G889 WeakPolarHBondContact OE2-CA 3.42Å; G889-Q893 VanDerWaalsContact CA-OE1 3.28Å
890	T	91.9	Very high	89	Confident	77 Å²	77	59.2 Å²	59.2	47%	0.472	28%	0.28	S	S	.	.			trans	-80.5	160.5	169.5	55.8	0	0	0	0	110.9	E892 Q893 Q894	T890-E892 PolarHBondContact O-N 3.03Å; T890-Q893 WeakPolarHBondContact O-CB 3.34Å; T890-Q893 PolarHBondContact O-N 3.04Å; T890-Q893 WeakPolarHBondContact OG1-CG 3.39Å; T890-Q894 PolarHBondContact O-N 3.01Å
891	E	89.5	Confident	88.8	Confident	138 Å²	138	58.3 Å²	58.3	65%	0.645	28%	0.276	S	S	*	.	H	α-helix	trans	-56	-36.6	177.8	-65.3	-59.7	129.8	0	0	112.7	Q893 Q894 E895	E891-Q893 VanDerWaalsContact C-N 3.34Å; E891-Q893 PolarHBondContact O-N 2.74Å; E891-Q894 WeakPolarHBondContact O-CB 3.22Å; E891-Q894 PolarHBondContact O-N 2.91Å; E891-Q894 PolarHBondContact OE1-NE2 3.32Å; E891-Q894 PolarHBondContact OE2-OE1 3.34Å; E891-E895 PolarHBondContact O-N 3.24Å
892	E	91.2	Very high	88.5	Confident	157 Å²	157	61.8 Å²	61.8	73%	0.734	29%	0.292	S	S	*	.	H	α-helix	trans	-61.7	-40.2	175.9	-172.6	-179.2	-174.4	0	0	112.6	T890 Q894 E895 E896	T890-E892 PolarHBondContact O-N 3.03Å; E892-Q894 VanDerWaalsContact C-N 3.34Å; E892-E895 PolarHBondContact O-N 3.28Å; E892-E896 PolarHBondContact O-N 3.39Å
893	Q	87.6	Confident	88	Confident	54 Å²	54	65 Å²	65	25%	0.252	32%	0.318	S	S	.	.	H	α-helix	trans	-67.6	-37.7	177.6	-70.1	170.6	-10.8	0	0	111	E885 G889 T890 E891 E895 E896 V897	E885-Q893 HydrophobicContact CG-CB 4.5Å; E885-Q893 PolarHBondContact OE2-OE1 3.04Å; G889-Q893 VanDerWaalsContact CA-OE1 3.28Å; T890-Q893 WeakPolarHBondContact O-CB 3.34Å; T890-Q893 PolarHBondContact O-N 3.04Å; T890-Q893 WeakPolarHBondContact OG1-CG 3.39Å; E891-Q893 VanDerWaalsContact C-N 3.34Å; E891-Q893 PolarHBondContact O-N 2.74Å; Q893-E895 VanDerWaalsContact C-N 3.32Å; Q893-E895 PolarHBondContact O-N 2.81Å; Q893-E896 WeakPolarHBondContact O-CB 3.43Å; Q893-E896 PolarHBondContact O-N 3.3Å; Q893-V897 WeakPolarHBondContact O-CG2 3.25Å; Q893-V897 PolarHBondContact O-N 3.41Å
894	Q	87.6	Confident	87.3	Confident	21 Å²	21	65.7 Å²	65.7	10%	0.098	33%	0.327	C	S	.	.	H	α-helix	trans	-61.9	-43	175.2	-59.5	171.9	32	0	0	111.1	Y882 E885 L886 T890 E891 E892 V897 R898	Y882-Q894 HydrophobicContact CE2-CB 4.28Å; E885-Q894 HydrophobicContact CB-CG 4.31Å; L886-Q894 HydrophobicContact CD2-CG 4.39Å; L886-Q894 VanDerWaalsContact CD2-OE1 3.31Å; T890-Q894 PolarHBondContact O-N 3.01Å; E891-Q894 WeakPolarHBondContact O-CB 3.22Å; E891-Q894 PolarHBondContact O-N 2.91Å; E891-Q894 PolarHBondContact OE1-NE2 3.32Å; E891-Q894 PolarHBondContact OE2-OE1 3.34Å; E892-Q894 VanDerWaalsContact C-N 3.34Å; Q894-V897 PolarHBondContact O-N 3.45Å; Q894-R898 WeakPolarHBondContact O-CB 3.33Å; Q894-R898 PolarHBondContact O-N 2.98Å; Q894-R898 VanDerWaalsContact O-N 3.07Å
895	E	87	Confident	86.8	Confident	112 Å²	112	68.2 Å²	68.2	52%	0.523	34%	0.338	S	S	.	.	H	α-helix	trans	-62.9	-40.9	173.7	-72.7	-159.6	175.8	0	0	112.5	E891 E892 Q893 V897 R898 K899	E891-E895 PolarHBondContact O-N 3.24Å; E892-E895 PolarHBondContact O-N 3.28Å; Q893-E895 VanDerWaalsContact C-N 3.32Å; Q893-E895 PolarHBondContact O-N 2.81Å; E895-V897 PolarHBondContact O-N 3.42Å; E895-R898 PolarHBondContact O-N 3.19Å; E895-K899 WeakPolarHBondContact O-CB 3.41Å; E895-K899 WeakPolarHBondContact O-CG 2.9Å; E895-K899 PolarHBondContact O-N 2.84Å; E895-K899 IonicContact OE2-NZ 2.84Å; E895-K899 PolarHBondContact OE2-NZ 2.82Å
896	E	85.2	Confident	86.5	Confident	81 Å²	81	68.3 Å²	68.3	38%	0.379	34%	0.339	S	S	.	.	H	α-helix	trans	-61.8	-44.7	178.5	-165.2	-156.6	160.5	0	0	111.5	E892 Q893 R898 R900	E892-E896 PolarHBondContact O-N 3.39Å; Q893-E896 WeakPolarHBondContact O-CB 3.43Å; Q893-E896 PolarHBondContact O-N 3.3Å; E896-R898 VanDerWaalsContact C-N 3.33Å; E896-R898 PolarHBondContact O-N 3.44Å; E896-R900 VanDerWaalsContact CD-CZ 3.44Å; E896-R900 WeakPolarHBondContact O-CB 3.21Å; E896-R900 WeakPolarHBondContact O-CG 3.11Å; E896-R900 PolarHBondContact O-N 3.3Å; E896-R900 PolarHBondContact O-NE 2.76Å; E896-R900 IonicContact OE1-CZ 2.75Å; E896-R900 IonicContact OE1-NE 2.64Å; E896-R900 IonicContact OE1-NH1 3.76Å; E896-R900 PolarHBondContact OE1-NH1 2.8Å; E896-R900 IonicContact OE1-NH2 2.84Å; E896-R900 PolarHBondContact OE1-NH2 2.8Å; E896-R900 IonicContact OE2-CZ 2.7Å; E896-R900 IonicContact OE2-NH2 3.03Å; E896-R900 PolarHBondContact OE2-NH2 2.83Å
897	V	87.8	Confident	85.9	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-62.3	-43.6	176.2	179.7	0	0	0	0	110.8	W878 F881 Y882 E885 Q893 Q894 E895 R900 C901	W878-V897 HydrophobicContact CE3-CG1 3.9Å; W878-V897 HydrophobicContact CZ3-CG1 4.28Å; F881-V897 HydrophobicContact CB-CG1 4.34Å; F881-V897 HydrophobicContact CD1-CB 4.23Å; F881-V897 HydrophobicContact CD1-CG1 3.59Å; F881-V897 HydrophobicContact CD1-CG2 3.59Å; F881-V897 HydrophobicContact CD2-CG2 4.2Å; F881-V897 HydrophobicContact CE1-CB 4.31Å; F881-V897 HydrophobicContact CE1-CG1 4.15Å; F881-V897 HydrophobicContact CE1-CG2 3.35Å; F881-V897 HydrophobicContact CE2-CG2 3.99Å; F881-V897 HydrophobicContact CG-CG1 4.03Å; F881-V897 HydrophobicContact CG-CG2 4.02Å; F881-V897 HydrophobicContact CZ-CG2 3.56Å; Y882-V897 HydrophobicContact CD2-CB 4.46Å; Y882-V897 HydrophobicContact CD2-CG1 4.37Å; E885-V897 HydrophobicContact CG-CG2 3.93Å; Q893-V897 WeakPolarHBondContact O-CG2 3.25Å; Q893-V897 PolarHBondContact O-N 3.41Å; Q894-V897 PolarHBondContact O-N 3.45Å; E895-V897 PolarHBondContact O-N 3.42Å; V897-R900 PolarHBondContact O-N 3.43Å; V897-C901 WeakPolarHBondContact O-CB 3.24Å; V897-C901 PolarHBondContact O-N 2.94Å
898	R	88.1	Confident	85.6	Confident	88 Å²	88	72.8 Å²	72.8	33%	0.332	35%	0.351	S	S	.	.	H	α-helix	trans	-63.4	-49.4	178.4	-178.1	-179	170	-166.5	-2.7	111.9	Q894 E895 E896 R900 C901 E902	Q894-R898 WeakPolarHBondContact O-CB 3.33Å; Q894-R898 PolarHBondContact O-N 2.98Å; Q894-R898 VanDerWaalsContact O-N 3.07Å; E895-R898 PolarHBondContact O-N 3.19Å; E896-R898 VanDerWaalsContact C-N 3.33Å; E896-R898 PolarHBondContact O-N 3.44Å; R898-R900 VanDerWaalsContact C-N 3.31Å; R898-R900 PolarHBondContact O-N 2.98Å; R898-C901 PolarHBondContact O-N 3.45Å; R898-E902 HydrophobicContact CG-CG 4.47Å; R898-E902 IonicContact CZ-OE1 3.56Å; R898-E902 IonicContact NE-OE1 3.5Å; R898-E902 PolarHBondContact NE-OE1 3.35Å; R898-E902 IonicContact NH2-OE1 2.73Å; R898-E902 PolarHBondContact NH2-OE1 3.47Å; R898-E902 WeakPolarHBondContact O-CG 3.44Å; R898-E902 PolarHBondContact O-N 2.88Å
899	K	85.6	Confident	85.3	Confident	123 Å²	123	70.2 Å²	70.2	54%	0.535	34%	0.342	S	S	.	.	H	α-helix	trans	-59.3	-41.6	179.3	-76.5	175.2	179.4	160	0	111.5	E895 E902 S903	E895-K899 WeakPolarHBondContact O-CB 3.41Å; E895-K899 WeakPolarHBondContact O-CG 2.9Å; E895-K899 PolarHBondContact O-N 2.84Å; E895-K899 IonicContact OE2-NZ 2.84Å; E895-K899 PolarHBondContact OE2-NZ 2.82Å; K899-E902 PolarHBondContact O-N 3.48Å; K899-S903 WeakPolarHBondContact O-CB 3.48Å; K899-S903 PolarHBondContact O-N 3.37Å; K899-S903 PolarHBondContact O-OG 2.88Å
900	R	86.1	Confident	85.1	Confident	64 Å²	64	72.2 Å²	72.2	24%	0.242	35%	0.346	C	S	.	.	H	α-helix	trans	-68.4	-39.6	176.4	-71.7	-173.7	-66.3	-152.5	-12.1	112.9	H865 W878 E896 V897 R898 S903 A904	H865-R900 PolarHBondContact CE1-NH1 2.89Å; H865-R900 PolarHBondContact CE1-NH2 3.39Å; H865-R900 PolarHBondContact ND1-NH1 3.17Å; H865-R900 VanDerWaalsContact ND1-NH1 3.16Å; W878-R900 HydrophobicContact CH2-CB 3.42Å; W878-R900 VanDerWaalsContact CH2-CB 3.42Å; W878-R900 HydrophobicContact CH2-CG 4.49Å; W878-R900 HydrophobicContact CZ2-CB 4.38Å; W878-R900 HydrophobicContact CZ3-CB 3.62Å; E896-R900 VanDerWaalsContact CD-CZ 3.44Å; E896-R900 WeakPolarHBondContact O-CB 3.21Å; E896-R900 WeakPolarHBondContact O-CG 3.11Å; E896-R900 PolarHBondContact O-N 3.3Å; E896-R900 PolarHBondContact O-NE 2.76Å; E896-R900 IonicContact OE1-CZ 2.75Å; E896-R900 IonicContact OE1-NE 2.64Å; E896-R900 IonicContact OE1-NH1 3.76Å; E896-R900 PolarHBondContact OE1-NH1 2.8Å; E896-R900 IonicContact OE1-NH2 2.84Å; E896-R900 PolarHBondContact OE1-NH2 2.8Å; E896-R900 IonicContact OE2-CZ 2.7Å; E896-R900 IonicContact OE2-NH2 3.03Å; E896-R900 PolarHBondContact OE2-NH2 2.83Å; V897-R900 PolarHBondContact O-N 3.43Å; R898-R900 VanDerWaalsContact C-N 3.31Å; R898-R900 PolarHBondContact O-N 2.98Å; R900-S903 PolarHBondContact O-N 3.46Å; R900-A904 WeakPolarHBondContact O-CB 3.14Å; R900-A904 PolarHBondContact O-N 3.48Å
901	C	86.6	Confident	84.7	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-62.7	-44.7	174.7	-177.4	0	0	0	0	111.6	W878 V897 R898 S903 A904 E905 P906 L930	W878-C901 HydrophobicContact CB-CB 4.31Å; W878-C901 HydrophobicContact CD2-CB 3.88Å; W878-C901 HydrophobicContact CE3-CB 3.92Å; W878-C901 HydrophobicContact CG-CB 4.06Å; V897-C901 WeakPolarHBondContact O-CB 3.24Å; V897-C901 PolarHBondContact O-N 2.94Å; R898-C901 PolarHBondContact O-N 3.45Å; C901-S903 VanDerWaalsContact C-N 3.28Å; C901-S903 PolarHBondContact O-N 3.38Å; C901-A904 PolarHBondContact O-N 2.85Å; C901-E905 PolarHBondContact O-N 3.28Å; C901-E905 VanDerWaalsContact O-N 3.07Å; C901-P906 WeakPolarHBondContact O-CD 3.49Å; C901-L930 HydrophobicContact CB-CD2 4.02Å
902	E	84.8	Confident	84.7	Confident	73 Å²	73	65.9 Å²	65.9	34%	0.341	31%	0.313	S	S	.	.	H	α-helix	trans	-62.2	-35.7	175.4	-71.8	175.7	-177.7	0	0	111.9	R898 K899 I926	R898-E902 HydrophobicContact CG-CG 4.47Å; R898-E902 IonicContact CZ-OE1 3.56Å; R898-E902 IonicContact NE-OE1 3.5Å; R898-E902 PolarHBondContact NE-OE1 3.35Å; R898-E902 IonicContact NH2-OE1 2.73Å; R898-E902 PolarHBondContact NH2-OE1 3.47Å; R898-E902 WeakPolarHBondContact O-CG 3.44Å; R898-E902 PolarHBondContact O-N 2.88Å; K899-E902 PolarHBondContact O-N 3.48Å; E902-I926 HydrophobicContact CB-CG2 4.37Å; E902-I926 HydrophobicContact CG-CG2 3.8Å
903	S	80.3	Confident	84.4	Confident	91 Å²	91	60.1 Å²	60.1	64%	0.636	29%	0.29	S	S	*	.	H	α-helix	trans	-70.2	-38	176.9	-57	0	0	0	0	112.9	K899 R900 C901	K899-S903 WeakPolarHBondContact O-CB 3.48Å; K899-S903 PolarHBondContact O-N 3.37Å; K899-S903 PolarHBondContact O-OG 2.88Å; R900-S903 PolarHBondContact O-N 3.46Å; C901-S903 VanDerWaalsContact C-N 3.28Å; C901-S903 PolarHBondContact O-N 3.38Å
904	A	76.8	Confident	84.3	Confident	30 Å²	30	59.9 Å²	59.9	25%	0.248	30%	0.297	C	S	.	.	H	α-helix	trans	-81.2	-25	-176.4	0	0	0	0	0	114.2	S872 W878 R900 C901	S872-A904 WeakPolarHBondContact O-CB 3.11Å; W878-A904 HydrophobicContact CZ2-CB 4.28Å; R900-A904 WeakPolarHBondContact O-CB 3.14Å; R900-A904 PolarHBondContact O-N 3.48Å; C901-A904 PolarHBondContact O-N 2.85Å
905	E	80.4	Confident	84.1	Confident	53 Å²	53	59.1 Å²	59.1	25%	0.248	29%	0.293	C	S	.	.			trans	48.6	62.3	-176.2	-65.4	177.6	-147.7	0	0	114.4	K585 C901 I926	K585-E905 IonicContact NZ-OE1 3.51Å; K585-E905 PolarHBondContact NZ-OE1 3.3Å; C901-E905 PolarHBondContact O-N 3.28Å; C901-E905 VanDerWaalsContact O-N 3.07Å; E905-I926 HydrophobicContact CB-CD1 4.25Å
906	P	85.1	Confident	83.9	Confident	4 Å²	4	54.5 Å²	54.5	3%	0.026	27%	0.273	C	S	.	.			trans	-62.9	139.4	-172.5	24.6	-33.8	0	0	0	113.7	D873 C901 W912	D873-P906 WeakPolarHBondContact O-CA 3.49Å; D873-P906 VanDerWaalsContact O-CB 3.27Å; D873-P906 WeakPolarHBondContact O-CB 3.32Å; D873-P906 WeakPolarHBondContact OD1-CA 3.47Å; C901-P906 WeakPolarHBondContact O-CD 3.49Å; P906-W912 HydrophobicContact CG-CH2 4.08Å; P906-W912 HydrophobicContact CG-CZ2 3.78Å; P906-W912 PolarHBondContact O-NE1 3.08Å
907	R	77.8	Confident	83.7	Confident	161 Å²	161	54.3 Å²	54.3	61%	0.608	27%	0.271	S	S	*	.			trans	-118.6	-27.4	-176.5	-60.4	-177.1	-178.1	176.8	5.6	113.7	D873 C913	D873-R907 PolarHBondContact O-N 3Å; D873-R907 VanDerWaalsContact O-N 3.09Å; D873-R907 WeakPolarHBondContact OD1-CB 3.4Å; D873-R907 PolarHBondContact OD1-N 3.2Å; R907-C913 PolarHBondContact O-SG 2.86Å; R907-C913 VanDerWaalsContact O-SG 3.41Å
908	H	82.1	Confident	83.4	Confident	114 Å²	114	57.3 Å²	57.3	53%	0.528	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-98.6	168.6	-177.7	-61.5	100.7	0	0	0	110.7	D873 G875	D873-H908 PolarHBondContact O-N 3.49Å; D873-H908 VanDerWaalsContact O-N 3.11Å; D873-H908 IonicContact OD2-CE1 3.55Å; D873-H908 PolarHBondContact OD2-CE1 3.42Å; D873-H908 VanDerWaalsContact OD2-CE1 3.25Å; D873-H908 IonicContact OD2-CG 3.94Å; D873-H908 IonicContact OD2-ND1 3.79Å; D873-H908 PolarHBondContact OD2-ND1 3.25Å; G875-H908 WeakPolarHBondContact CA-O 3.41Å; G875-H908 PolarHBondContact N-O 3.25Å
909	G	82.1	Confident	83	Confident	12 Å²	12	53.9 Å²	53.9	12%	0.124	28%	0.276	C	S	.	.			trans	110.2	136.5	-172	0	0	0	0	0	111.5	D876 C913	D876-G909 VanDerWaalsContact CG-CA 3.5Å; D876-G909 WeakPolarHBondContact OD1-CA 3.19Å; D876-G909 WeakPolarHBondContact OD2-CA 3.26Å; G909-C913 WeakPolarHBondContact O-CB 3.39Å; G909-C913 PolarHBondContact O-N 3.39Å; G909-C913 PolarHBondContact O-SG 3.35Å
910	E	83.2	Confident	82.7	Confident	63 Å²	63	52 Å²	52	29%	0.294	28%	0.283	S	S	.	.	H	α-helix	trans	-81.1	-39.9	-170.9	-167.8	179.1	165.3	0	0	112	R751 R785 D876 A914	R751-E910 IonicContact CZ-OE1 3.78Å; R751-E910 IonicContact NH2-OE1 3.69Å; R751-E910 PolarHBondContact NH2-OE1 2.91Å; R785-E910 IonicContact CZ-OE2 3.36Å; R785-E910 IonicContact NH1-OE1 3.64Å; R785-E910 PolarHBondContact NH1-OE1 3.12Å; R785-E910 IonicContact NH1-OE2 3.83Å; R785-E910 PolarHBondContact NH1-OE2 2.9Å; R785-E910 IonicContact NH2-OE2 3.48Å; D876-E910 PolarHBondContact OD1-N 2.85Å; D876-E910 PolarHBondContact OD2-N 2.85Å; E910-A914 VanDerWaalsContact O-CB 3.3Å; E910-A914 WeakPolarHBondContact O-CB 3.13Å; E910-A914 PolarHBondContact O-N 2.89Å
911	L	84.6	Confident	82.4	Confident	75 Å²	75	49.5 Å²	49.5	39%	0.393	28%	0.275	S	S	.	.	H	α-helix	trans	-71.6	-41.9	174.1	-60.1	174.5	0	0	0	110	D876 F880 A914 V915 I937	D876-L911 WeakPolarHBondContact OD1-CA 3.44Å; D876-L911 WeakPolarHBondContact OD1-CB 3.36Å; D876-L911 PolarHBondContact OD1-N 3.24Å; F880-L911 HydrophobicContact CE2-CD1 3.89Å; F880-L911 HydrophobicContact CZ-CD1 3.66Å; L911-A914 PolarHBondContact O-N 3.03Å; L911-V915 PolarHBondContact O-N 2.75Å; L911-V915 VanDerWaalsContact O-N 3.11Å; L911-I937 HydrophobicContact CD1-CG1 4.27Å
912	W	88	Confident	81.8	Confident	7 Å²	7	53.5 Å²	53.5	3%	0.027	29%	0.29	C	S	.	.	H	α-helix	trans	-58.5	-49	174.3	-171.6	-97.1	0	0	0	111.8	D876 P906 V915 S916 I926 I929 L930 V933	D876-W912 PolarHBondContact OD1-N 3.27Å; P906-W912 HydrophobicContact CG-CH2 4.08Å; P906-W912 HydrophobicContact CG-CZ2 3.78Å; P906-W912 PolarHBondContact O-NE1 3.08Å; W912-V915 PolarHBondContact O-N 3.28Å; W912-S916 WeakPolarHBondContact O-CB 3.4Å; W912-S916 PolarHBondContact O-N 3.45Å; W912-S916 PolarHBondContact O-OG 2.82Å; W912-I926 HydrophobicContact CH2-CG1 3.87Å; W912-I926 HydrophobicContact CZ2-CD1 4.07Å; W912-I926 HydrophobicContact CZ2-CG1 3.47Å; W912-I926 VanDerWaalsContact CZ2-CG1 3.47Å; W912-I929 HydrophobicContact CD2-CG2 4.24Å; W912-I929 HydrophobicContact CE3-CG2 4.28Å; W912-I929 HydrophobicContact CH2-CB 4.21Å; W912-I929 HydrophobicContact CH2-CG2 3.86Å; W912-I929 HydrophobicContact CZ2-CB 4.34Å; W912-I929 HydrophobicContact CZ2-CG2 3.81Å; W912-I929 HydrophobicContact CZ3-CG2 4.11Å; W912-L930 HydrophobicContact CH2-CB 4.15Å; W912-L930 HydrophobicContact CZ3-CB 4Å; W912-L930 HydrophobicContact CZ3-CD1 3.82Å; W912-V933 HydrophobicContact CE3-CG1 4.14Å; W912-V933 HydrophobicContact CE3-CG2 3.92Å; W912-V933 HydrophobicContact CZ3-CG2 3.98Å
913	C	86.3	Confident	81.3	Confident	37 Å²	37	53.9 Å²	53.9	25%	0.25	29%	0.291	C	S	.	.	H	α-helix	trans	-65.4	-38	175.5	-76.5	0	0	0	0	112	R907 G909 V915 S916 K917	R907-C913 PolarHBondContact O-SG 2.86Å; R907-C913 VanDerWaalsContact O-SG 3.41Å; G909-C913 WeakPolarHBondContact O-CB 3.39Å; G909-C913 PolarHBondContact O-N 3.39Å; G909-C913 PolarHBondContact O-SG 3.35Å; C913-V915 PolarHBondContact O-N 3.38Å; C913-S916 PolarHBondContact O-N 3.48Å; C913-K917 VanDerWaalsContact O-CB 3.25Å; C913-K917 WeakPolarHBondContact O-CB 3.23Å; C913-K917 WeakPolarHBondContact O-CG 3.5Å; C913-K917 PolarHBondContact O-N 3.47Å
914	A	84.3	Confident	81.2	Confident	49 Å²	49	53.9 Å²	53.9	41%	0.405	28%	0.28	S	S	.	.	H	α-helix	trans	-56.5	-50.3	177.3	0	0	0	0	0	111	E910 L911 D918	E910-A914 VanDerWaalsContact O-CB 3.3Å; E910-A914 WeakPolarHBondContact O-CB 3.13Å; E910-A914 PolarHBondContact O-N 2.89Å; L911-A914 PolarHBondContact O-N 3.03Å; A914-D918 VanDerWaalsContact O-CG 3.32Å; A914-D918 PolarHBondContact O-N 3.17Å
915	V	84.1	Confident	81.5	Confident	4 Å²	4	58.2 Å²	58.2	2%	0.024	29%	0.293	C	S	.	.	H	α-helix	trans	-70.6	-39.4	178	-174.2	0	0	0	0	112	L911 W912 C913 K917 D918 N921 I929 L932 V933	L911-V915 PolarHBondContact O-N 2.75Å; L911-V915 VanDerWaalsContact O-N 3.11Å; W912-V915 PolarHBondContact O-N 3.28Å; C913-V915 PolarHBondContact O-N 3.38Å; V915-K917 VanDerWaalsContact C-N 3.29Å; V915-K917 PolarHBondContact O-N 2.75Å; V915-D918 WeakPolarHBondContact O-CB 3.26Å; V915-D918 PolarHBondContact O-N 2.85Å; V915-N921 HydrophobicContact CG1-CB 4.44Å; V915-I929 HydrophobicContact CG1-CG2 4.44Å; V915-L932 HydrophobicContact CG1-CB 3.93Å; V915-L932 HydrophobicContact CG1-CD1 4.34Å; V915-V933 HydrophobicContact CB-CG1 3.69Å; V915-V933 HydrophobicContact CG1-CG1 4.27Å; V915-V933 HydrophobicContact CG2-CB 4.39Å; V915-V933 HydrophobicContact CG2-CG1 3.42Å; V915-V933 VanDerWaalsContact CG2-CG1 3.42Å
916	S	82.4	Confident	81.7	Confident	15 Å²	15	57.9 Å²	57.9	11%	0.105	29%	0.292	C	S	.	.	H	α-helix	trans	-72	-20.8	-179.6	-59.3	0	0	0	0	113.2	W912 C913	W912-S916 WeakPolarHBondContact O-CB 3.4Å; W912-S916 PolarHBondContact O-N 3.45Å; W912-S916 PolarHBondContact O-OG 2.82Å; C913-S916 PolarHBondContact O-N 3.48Å
917	K	81.9	Confident	81.5	Confident	77 Å²	77	57.8 Å²	57.8	34%	0.335	29%	0.293	S	S	.	.	H	α-helix	trans	-92.4	-15.4	175.3	-64.3	-40	173.9	-150.9	0	112.4	C913 V915 I919 W922	C913-K917 VanDerWaalsContact O-CB 3.25Å; C913-K917 WeakPolarHBondContact O-CB 3.23Å; C913-K917 WeakPolarHBondContact O-CG 3.5Å; C913-K917 PolarHBondContact O-N 3.47Å; V915-K917 VanDerWaalsContact C-N 3.29Å; V915-K917 PolarHBondContact O-N 2.75Å; K917-I919 PolarHBondContact O-N 3.36Å; K917-W922 HydrophobicContact CD-CZ3 4.4Å
918	D	81.4	Confident	81.9	Confident	63 Å²	63	53.2 Å²	53.2	34%	0.337	28%	0.28	S	S	.	.	S	Bend	trans	-60.1	117.6	167.4	-68.8	-20.2	0	0	0	109	A914 V915 A920 N921 W922 R936	A914-D918 VanDerWaalsContact O-CG 3.32Å; A914-D918 PolarHBondContact O-N 3.17Å; V915-D918 WeakPolarHBondContact O-CB 3.26Å; V915-D918 PolarHBondContact O-N 2.85Å; D918-A920 VanDerWaalsContact C-N 3.27Å; D918-A920 PolarHBondContact O-N 3.48Å; D918-N921 HydrophobicContact CB-CB 4.47Å; D918-N921 PolarHBondContact O-N 2.85Å; D918-W922 PolarHBondContact O-N 3.22Å; D918-W922 VanDerWaalsContact O-N 3.12Å; D918-R936 IonicContact OD2-CZ 3.73Å; D918-R936 VanDerWaalsContact OD2-CZ 3.26Å; D918-R936 IonicContact OD2-NH1 3.65Å; D918-R936 PolarHBondContact OD2-NH1 3.07Å; D918-R936 IonicContact OD2-NH2 3.63Å; D918-R936 PolarHBondContact OD2-NH2 3.43Å
919	I	78.3	Confident	82.1	Confident	16 Å²	16	48.5 Å²	48.5	8%	0.082	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-61.5	-36.2	-173.2	-63.9	-58.5	0	0	0	112.3	W686 V687 K917 N921 W922	W686-I919 HydrophobicContact CD2-CD1 3.97Å; W686-I919 HydrophobicContact CD2-CG1 3.63Å; W686-I919 HydrophobicContact CE3-CD1 3.4Å; W686-I919 HydrophobicContact CE3-CG1 3.54Å; W686-I919 HydrophobicContact CG-CG1 4.39Å; W686-I919 HydrophobicContact CH2-CD1 4.02Å; W686-I919 HydrophobicContact CH2-CG1 3.59Å; W686-I919 HydrophobicContact CZ2-CG1 3.72Å; W686-I919 HydrophobicContact CZ3-CD1 3.43Å; W686-I919 VanDerWaalsContact CZ3-CD1 3.43Å; W686-I919 HydrophobicContact CZ3-CG1 3.52Å; V687-I919 HydrophobicContact CB-CG2 3.96Å; V687-I919 HydrophobicContact CG2-CG2 4.1Å; K917-I919 PolarHBondContact O-N 3.36Å; I919-N921 PolarHBondContact O-N 3.03Å; I919-N921 VanDerWaalsContact O-N 3.08Å; I919-W922 WeakPolarHBondContact O-CB 3.14Å; I919-W922 PolarHBondContact O-N 3.4Å; I919-W922 VanDerWaalsContact O-N 3.15Å
920	A	79.3	Confident	82.3	Confident	83 Å²	83	48 Å²	48	69%	0.686	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-59.3	-21.7	174.3	0	0	0	0	0	114.1	D918	D918-A920 VanDerWaalsContact C-N 3.27Å; D918-A920 PolarHBondContact O-N 3.48Å
921	N	80.9	Confident	82.5	Confident	13 Å²	13	50.3 Å²	50.3	7%	0.07	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-111.1	-3.6	-179.4	-61.1	-38.7	0	0	0	113.2	V915 D918 I919 Q923 K924 L932	V915-N921 HydrophobicContact CG1-CB 4.44Å; D918-N921 HydrophobicContact CB-CB 4.47Å; D918-N921 PolarHBondContact O-N 2.85Å; I919-N921 PolarHBondContact O-N 3.03Å; I919-N921 VanDerWaalsContact O-N 3.08Å; N921-Q923 VanDerWaalsContact C-N 3.32Å; N921-Q923 PolarHBondContact O-N 3.12Å; N921-K924 HydrophobicContact CB-CD 4.4Å; N921-K924 PolarHBondContact O-N 3.03Å; N921-K924 PolarHBondContact OD1-NZ 3.02Å; N921-L932 HydrophobicContact CB-CD1 4.36Å
922	W	74.9	Confident	82.6	Confident	84 Å²	84	49.5 Å²	49.5	32%	0.318	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-37.6	-171	170.6	-94.8	0	0	0	113.7	K683 K917 D918 I919	K683-W922 VanDerWaalsContact NZ-CH2 3.26Å; K917-W922 HydrophobicContact CD-CZ3 4.4Å; D918-W922 PolarHBondContact O-N 3.22Å; D918-W922 VanDerWaalsContact O-N 3.12Å; I919-W922 WeakPolarHBondContact O-CB 3.14Å; I919-W922 PolarHBondContact O-N 3.4Å; I919-W922 VanDerWaalsContact O-N 3.15Å
923	Q	73.1	Confident	82.5	Confident	81 Å²	81	49.3 Å²	49.3	38%	0.379	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-1.9	-176.6	65.1	-167.1	6.3	0	0	114.2	Y658 N921	Y658-Q923 PolarHBondContact OH-OE1 3.39Å; N921-Q923 VanDerWaalsContact C-N 3.32Å; N921-Q923 PolarHBondContact O-N 3.12Å
924	K	79.4	Confident	82.5	Confident	91 Å²	91	47.8 Å²	47.8	40%	0.396	25%	0.245	S	C	.	.	S	Bend	trans	-73.3	151.1	179.8	-65.1	-177.9	-178.9	167.7	0	110.7	N921 D928 L932	N921-K924 HydrophobicContact CB-CD 4.4Å; N921-K924 PolarHBondContact O-N 3.03Å; N921-K924 PolarHBondContact OD1-NZ 3.02Å; K924-D928 HydrophobicContact CB-CB 4.5Å; K924-L932 HydrophobicContact CD-CD1 4.24Å
925	K	82.4	Confident	82.5	Confident	120 Å²	120	48.7 Å²	48.7	52%	0.522	26%	0.259	S	S	.	.			trans	-65.1	154	176.7	-60.9	-62.7	-177.1	-176.5	0	110.5	G927 D928 I929	K925-G927 VanDerWaalsContact C-N 3.28Å; K925-G927 PolarHBondContact O-N 2.81Å; K925-D928 PolarHBondContact O-N 3.43Å; K925-I929 PolarHBondContact O-N 3.22Å; K925-I929 VanDerWaalsContact O-N 3.11Å
926	I	83.7	Confident	82.5	Confident	46 Å²	46	54.8 Å²	54.8	24%	0.236	28%	0.281	C	S	.	.	H	α-helix	trans	-64	-32.4	-171.2	-143.9	156	0	0	0	113	E902 E905 W912 D928 I929 L930	E902-I926 HydrophobicContact CB-CG2 4.37Å; E902-I926 HydrophobicContact CG-CG2 3.8Å; E905-I926 HydrophobicContact CB-CD1 4.25Å; W912-I926 HydrophobicContact CH2-CG1 3.87Å; W912-I926 HydrophobicContact CZ2-CD1 4.07Å; W912-I926 HydrophobicContact CZ2-CG1 3.47Å; W912-I926 VanDerWaalsContact CZ2-CG1 3.47Å; I926-D928 VanDerWaalsContact C-N 3.29Å; I926-D928 PolarHBondContact O-N 3.09Å; I926-I929 PolarHBondContact O-N 2.85Å; I926-L930 PolarHBondContact O-N 3.47Å
927	G	81.6	Confident	82.6	Confident	3 Å²	3	55.2 Å²	55.2	3%	0.031	28%	0.282	C	S	.	.	H	α-helix	trans	-63.1	-33.7	174	0	0	0	0	0	113	K925 L930 R931	K925-G927 VanDerWaalsContact C-N 3.28Å; K925-G927 PolarHBondContact O-N 2.81Å; G927-L930 WeakPolarHBondContact O-CB 3.37Å; G927-R931 WeakPolarHBondContact O-CG 3.42Å; G927-R931 PolarHBondContact O-N 2.91Å
928	D	85.1	Confident	81.5	Confident	65 Å²	65	62.1 Å²	62.1	35%	0.348	31%	0.306	S	S	.	.	H	α-helix	trans	-78.6	-35.1	175.6	-66.7	-31.4	0	0	0	111.7	K924 K925 I926 L930 R931 L932	K924-D928 HydrophobicContact CB-CB 4.5Å; K925-D928 PolarHBondContact O-N 3.43Å; I926-D928 VanDerWaalsContact C-N 3.29Å; I926-D928 PolarHBondContact O-N 3.09Å; D928-L930 VanDerWaalsContact C-N 3.27Å; D928-L930 PolarHBondContact O-N 3.33Å; D928-R931 PolarHBondContact O-N 3.09Å; D928-R931 IonicContact OD1-NH1 3.94Å; D928-R931 PolarHBondContact OD1-NH1 3.11Å; D928-L932 VanDerWaalsContact O-CG 3.3Å; D928-L932 WeakPolarHBondContact O-CG 3.45Å; D928-L932 PolarHBondContact O-N 2.83Å
929	I	86.9	Confident	80	Confident	14 Å²	14	64.6 Å²	64.6	7%	0.072	32%	0.319	C	S	.	.	H	α-helix	trans	-58.1	-44.1	169.9	-62.9	175.1	0	0	0	109.7	W912 V915 K925 I926 R931 L932 V933	W912-I929 HydrophobicContact CD2-CG2 4.24Å; W912-I929 HydrophobicContact CE3-CG2 4.28Å; W912-I929 HydrophobicContact CH2-CB 4.21Å; W912-I929 HydrophobicContact CH2-CG2 3.86Å; W912-I929 HydrophobicContact CZ2-CB 4.34Å; W912-I929 HydrophobicContact CZ2-CG2 3.81Å; W912-I929 HydrophobicContact CZ3-CG2 4.11Å; V915-I929 HydrophobicContact CG1-CG2 4.44Å; K925-I929 PolarHBondContact O-N 3.22Å; K925-I929 VanDerWaalsContact O-N 3.11Å; I926-I929 PolarHBondContact O-N 2.85Å; I929-R931 PolarHBondContact O-N 3.48Å; I929-L932 PolarHBondContact O-N 3.44Å; I929-V933 HydrophobicContact CG2-CG1 4.45Å; I929-V933 WeakPolarHBondContact O-CG2 3.21Å; I929-V933 PolarHBondContact O-N 3.46Å
930	L	87.1	Confident	77.9	Confident	2 Å²	2	67.8 Å²	67.8	1%	0.01	35%	0.348	C	S	.	.	H	α-helix	trans	-58.9	-43.4	176.6	-176.8	67	0	0	0	112.5	W878 Y882 C901 W912 I926 G927 D928 V933 A934	W878-L930 HydrophobicContact CB-CD1 3.84Å; Y882-L930 HydrophobicContact CD1-CD2 4.38Å; Y882-L930 HydrophobicContact CD1-CG 4.15Å; Y882-L930 HydrophobicContact CD2-CD2 4.24Å; Y882-L930 HydrophobicContact CG-CD2 4Å; Y882-L930 HydrophobicContact CG-CG 4.15Å; C901-L930 HydrophobicContact CB-CD2 4.02Å; W912-L930 HydrophobicContact CH2-CB 4.15Å; W912-L930 HydrophobicContact CZ3-CB 4Å; W912-L930 HydrophobicContact CZ3-CD1 3.82Å; I926-L930 PolarHBondContact O-N 3.47Å; G927-L930 WeakPolarHBondContact O-CB 3.37Å; D928-L930 VanDerWaalsContact C-N 3.27Å; D928-L930 PolarHBondContact O-N 3.33Å; L930-V933 HydrophobicContact CD1-CG2 4.32Å; L930-V933 WeakPolarHBondContact O-CG2 3.45Å; L930-A934 VanDerWaalsContact O-CB 3.29Å; L930-A934 WeakPolarHBondContact O-CB 3.27Å; L930-A934 PolarHBondContact O-N 3.06Å
931	R	86.7	Confident	76	Confident	111 Å²	111	67.5 Å²	67.5	42%	0.419	33%	0.331	S	S	.	.	H	α-helix	trans	-65.6	-40.5	176	-70.1	164.6	175	173.4	-10.8	112	Y882 G927 D928 I929 A934 G935	Y882-R931 HydrophobicContact CE1-CG 4.05Å; G927-R931 WeakPolarHBondContact O-CG 3.42Å; G927-R931 PolarHBondContact O-N 2.91Å; D928-R931 PolarHBondContact O-N 3.09Å; D928-R931 IonicContact OD1-NH1 3.94Å; D928-R931 PolarHBondContact OD1-NH1 3.11Å; I929-R931 PolarHBondContact O-N 3.48Å; R931-A934 PolarHBondContact O-N 3.1Å; R931-G935 PolarHBondContact O-N 2.82Å
932	L	87.2	Confident	75.8	Confident	58 Å²	58	70.2 Å²	70.2	30%	0.304	35%	0.345	S	S	.	.	H	α-helix	trans	-66.8	-43.4	178.6	-71.6	174.1	0	0	0	112.2	V915 N921 K924 D928 I929 A934 G935 R936	V915-L932 HydrophobicContact CG1-CB 3.93Å; V915-L932 HydrophobicContact CG1-CD1 4.34Å; N921-L932 HydrophobicContact CB-CD1 4.36Å; K924-L932 HydrophobicContact CD-CD1 4.24Å; D928-L932 VanDerWaalsContact O-CG 3.3Å; D928-L932 WeakPolarHBondContact O-CG 3.45Å; D928-L932 PolarHBondContact O-N 2.83Å; I929-L932 PolarHBondContact O-N 3.44Å; L932-A934 VanDerWaalsContact C-N 3.35Å; L932-G935 PolarHBondContact O-N 2.99Å; L932-R936 WeakPolarHBondContact O-CB 3.24Å; L932-R936 WeakPolarHBondContact O-CG 3.39Å; L932-R936 PolarHBondContact O-N 2.93Å
933	V	85.4	Confident	75.8	Confident	3 Å²	3	69.5 Å²	69.5	2%	0.018	35%	0.346	C	S	.	.	H	α-helix	trans	-64.3	-42.5	175	-64.1	0	0	0	0	110.6	A879 W912 V915 I929 L930 G935 R936 I937	A879-V933 HydrophobicContact CB-CB 3.93Å; A879-V933 HydrophobicContact CB-CG2 3.36Å; W912-V933 HydrophobicContact CE3-CG1 4.14Å; W912-V933 HydrophobicContact CE3-CG2 3.92Å; W912-V933 HydrophobicContact CZ3-CG2 3.98Å; V915-V933 HydrophobicContact CB-CG1 3.69Å; V915-V933 HydrophobicContact CG1-CG1 4.27Å; V915-V933 HydrophobicContact CG2-CB 4.39Å; V915-V933 HydrophobicContact CG2-CG1 3.42Å; V915-V933 VanDerWaalsContact CG2-CG1 3.42Å; I929-V933 HydrophobicContact CG2-CG1 4.45Å; I929-V933 WeakPolarHBondContact O-CG2 3.21Å; I929-V933 PolarHBondContact O-N 3.46Å; L930-V933 HydrophobicContact CD1-CG2 4.32Å; L930-V933 WeakPolarHBondContact O-CG2 3.45Å; V933-G935 VanDerWaalsContact C-N 3.33Å; V933-G935 PolarHBondContact O-N 3.47Å; V933-R936 PolarHBondContact O-N 2.79Å; V933-I937 WeakPolarHBondContact O-CG1 3.14Å; V933-I937 PolarHBondContact O-N 2.76Å
934	A	85.6	Confident	76	Confident	6 Å²	6	68.8 Å²	68.8	5%	0.05	34%	0.344	C	S	.	.	H	α-helix	trans	-61.7	-41.6	177.3	0	0	0	0	0	111.9	Y882 K883 L930 R931 L932	Y882-A934 HydrophobicContact CD1-CB 3.79Å; Y882-A934 HydrophobicContact CE1-CB 4.43Å; K883-A934 HydrophobicContact CB-CB 4.21Å; K883-A934 WeakPolarHBondContact CD-O 3.41Å; L930-A934 VanDerWaalsContact O-CB 3.29Å; L930-A934 WeakPolarHBondContact O-CB 3.27Å; L930-A934 PolarHBondContact O-N 3.06Å; R931-A934 PolarHBondContact O-N 3.1Å; L932-A934 VanDerWaalsContact C-N 3.35Å
935	G	85.1	Confident	75.8	Confident	67 Å²	67	67.5 Å²	67.5	69%	0.691	34%	0.341	S	S	*	.	H	α-helix	trans	-68.6	-31.6	176.4	0	0	0	0	0	114.3	R931 L932 V933	R931-G935 PolarHBondContact O-N 2.82Å; L932-G935 PolarHBondContact O-N 2.99Å; V933-G935 VanDerWaalsContact C-N 3.33Å; V933-G935 PolarHBondContact O-N 3.47Å
936	R	84.6	Confident	75.4	Confident	132 Å²	132	64.3 Å²	64.3	50%	0.498	33%	0.33	S	S	.	.	H	α-helix	trans	-77.7	-19.3	178.9	-77.4	-175.3	-177.8	-174.2	5.3	114	D918 L932 V933 R938	D918-R936 IonicContact OD2-CZ 3.73Å; D918-R936 VanDerWaalsContact OD2-CZ 3.26Å; D918-R936 IonicContact OD2-NH1 3.65Å; D918-R936 PolarHBondContact OD2-NH1 3.07Å; D918-R936 IonicContact OD2-NH2 3.63Å; D918-R936 PolarHBondContact OD2-NH2 3.43Å; L932-R936 WeakPolarHBondContact O-CB 3.24Å; L932-R936 WeakPolarHBondContact O-CG 3.39Å; L932-R936 PolarHBondContact O-N 2.93Å; V933-R936 PolarHBondContact O-N 2.79Å; R936-R938 PolarHBondContact O-N 3.05Å
937	I	83.2	Confident	74.8	Confident	24 Å²	24	65.5 Å²	65.5	12%	0.123	34%	0.336	C	S	.	.	S	Bend	trans	-68.8	118.1	173.7	-62.6	160.2	0	0	0	107.1	A879 F880 K883 L911 V933	A879-I937 HydrophobicContact CB-CD1 4.11Å; F880-I937 HydrophobicContact CD1-CD1 3.72Å; F880-I937 HydrophobicContact CD1-CG2 4.28Å; F880-I937 HydrophobicContact CE1-CD1 3.74Å; F880-I937 HydrophobicContact CE1-CG1 4.08Å; F880-I937 HydrophobicContact CE1-CG2 3.74Å; F880-I937 HydrophobicContact CG-CD1 4.27Å; F880-I937 HydrophobicContact CZ-CD1 4.3Å; K883-I937 HydrophobicContact CD-CB 3.77Å; K883-I937 HydrophobicContact CD-CD1 4.17Å; K883-I937 HydrophobicContact CD-CG2 3.84Å; K883-I937 VanDerWaalsContact NZ-CG2 3.33Å; K883-I937 PolarHBondContact NZ-O 2.86Å; L911-I937 HydrophobicContact CD1-CG1 4.27Å; V933-I937 WeakPolarHBondContact O-CG1 3.14Å; V933-I937 PolarHBondContact O-N 2.76Å
938	R	60.6	Low	74.3	Confident	222 Å²	222	69.9 Å²	69.9	84%	0.838	36%	0.358	S	S	*	.			trans	-72.7	143.2	172.3	-68.7	-176.2	-179.4	178.9	0.2	110	R936 A940	R936-R938 PolarHBondContact O-N 3.05Å; R938-A940 HydrophobicContact CB-CB 4.49Å; R938-A940 PolarHBondContact O-N 2.89Å
939	N	48.2	Very low	73.5	Confident	116 Å²	116	70.3 Å²	70.3	62%	0.62	36%	0.359	S	S	*	.	S	Bend	trans	-70	22.3	174.6	-79.3	-9.9	0	0	0	113.9	K883 F941	K883-N939 WeakPolarHBondContact CE-OD1 3.46Å; K883-N939 PolarHBondContact NZ-OD1 3.07Å; N939-F941 PolarHBondContact O-N 3.3Å; N939-F941 VanDerWaalsContact O-N 3.17Å
940	A	35.3	Very low	72.4	Confident	83 Å²	83	75 Å²	75	69%	0.686	38%	0.383	S	S	*	.			trans	-89.3	84.7	-177.8	0	0	0	0	0	109.5	R938	R938-A940 HydrophobicContact CB-CB 4.49Å; R938-A940 PolarHBondContact O-N 2.89Å
941	F	39.9	Very low	71.1	Confident	76 Å²	76	81.6 Å²	81.6	33%	0.333	42%	0.416	S	S	.	.			trans	-101.2	0	162.3	-79.1	-70.7	0	0	0	111.3	R823 K849 W852 N939	R823-F941 PolarHBondContact NH2-O 3.36Å; R823-F941 PolarHBondContact NH2-OXT 3.48Å; K849-F941 HydrophobicContact CB-CE1 4.34Å; K849-F941 HydrophobicContact CB-CZ 4.36Å; K849-F941 HydrophobicContact CD-CE1 4.49Å; K849-F941 HydrophobicContact CD-CZ 4.26Å; K849-F941 HydrophobicContact CG-CZ 4.29Å; W852-F941 HydrophobicContact CD2-CE2 4.31Å; W852-F941 AromaticContact CE3-CE2 3.7Å; W852-F941 HydrophobicContact CE3-CE2 3.7Å; W852-F941 HydrophobicContact CE3-CZ 4.06Å; W852-F941 HydrophobicContact CH2-CE2 4.08Å; W852-F941 AromaticContact CZ3-CE2 3.56Å; W852-F941 HydrophobicContact CZ3-CE2 3.56Å; W852-F941 HydrophobicContact CZ3-CZ 4.04Å; N939-F941 PolarHBondContact O-N 3.3Å; N939-F941 VanDerWaalsContact O-N 3.17Å

Retrieved 941 of 941 residues in 3642.6 ms (Link to these results)

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