A0A093H1G2_STRCA 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 A0A093H1G2, Species STRCA (Struthio camelus australis), Gene n/a, Length 917 aa.

						>A0A093H1G2_STRCA|A0A093H1G2
ATGFTTRSDIGPARDANDPVDDRHAPPGKRTVGDQMKKNQTADDDDEDLNDTNYDEFNGYAGSLFSSGPYEKDDEEADAIYAALDKRMDERRKERREQREKEEIEKYRMERPKIQQQFSDLKRKLAEVTEEEWLSIPEVGDARNKRQRNPRYEKLTPVPDSFFAKHLQSGENHTSVDPRQTQFGGLNTPYPGGLNTPYPGGMTPGLMTPGTGELDMRKIGQARNTLMDMRLSQVSDSVSGQTVVDPKGYLTDLNSMIPTHGGDINDIKKARLLLKSVRETNPHHPPAWIASARLEEVTGKLQVARNLIMKGTEMCPKSEDVWLEAARLQPGDTAKAVVAQAVRHLPQSVRIYIRAAELETDIRAKKRVLRKALEHVPNSVRLWKAAVELEEPEDARIMLSRAVECCPTSVELWLALARLETYENARKVLNKARENIPTDRHIWITAAKLEEANGNTQMVEKIIDRAITSLRANGVEINREQWIQDAEECDKAGSVATCQAIMRAVIGIGIEEEDRKHTWMEDADSCVAHNALECARAIYAYALQVFPSKKSVWLRAAYFEKNHGTRESLEALLQRAVAHCPKAEVLWLMGAKSKWLAGDVPAARSILALAFQANPNSEEIWLAAVKLESENNEYERARRLLAKARSSAPTARVFMKSVKLEWVLGNIAAAQELCEEALKHYEDFPKLWMMKGQIEEQKELVEKAREAYNQGLKKCPHSIPLWLLLSRLEEKVGQLTRARAILEKSRLKNPKNADLWLESVRLEYRAGLKNIANTLMAKALQECPNSGILWSEAIFLEARPQRKTKSVDALKKCEHDPHVLLAVAKLFWSERKITKAREWFHRTVKIDSDLGDAWAFFYKFELQHGTEEQQEEVKKRCENAEPRHGELWCDVSKDIENWQKKIGEILVLVAAKLKNTF
					

Structure Viewer

Loading PAE data...

(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	A	36.8	Very low	38	Very low	156 Å²	156	137.2 Å²	137.2	100%	1.289	82%	0.823	S	S	*	*				0	123	0	0	0	0	0	0	107.4	G3	A1-G3 PolarHBondContact O-N 2.95Å
2	T	33.6	Very low	38.3	Very low	120 Å²	120	136.8 Å²	136.8	74%	0.736	83%	0.826	S	S	*	*			trans	-77.9	112.6	173.7	5.9	0	0	0	0	108.1	F4	T2-F4 HydrophobicContact CG2-CE1 4.26Å; T2-F4 PolarHBondContact O-N 3.16Å
3	G	33.6	Very low	38.2	Very low	79 Å²	79	133.9 Å²	133.9	81%	0.814	83%	0.826	S	S	*	*			trans	-83.2	104.3	179.3	0	0	0	0	0	110.7	A1	A1-G3 PolarHBondContact O-N 2.95Å
4	F	33.3	Very low	38.4	Very low	178 Å²	178	139.2 Å²	139.2	78%	0.781	82%	0.823	S	S	*	*			trans	-109.7	120.8	156.3	2.3	-86.2	0	0	0	108.2	T2	T2-F4 HydrophobicContact CG2-CE1 4.26Å; T2-F4 PolarHBondContact O-N 3.16Å
5	T	40	Very low	38.2	Very low	132 Å²	132	139.5 Å²	139.5	81%	0.81	82%	0.819	S	S	*	*			trans	-74.8	143.1	176.8	39.1	0	0	0	0	110.8
6	T	37.6	Very low	38.3	Very low	127 Å²	127	136.9 Å²	136.9	78%	0.779	82%	0.818	S	S	*	*			trans	-120	92.6	158.8	44.7	0	0	0	0	109.9	S8	T6-S8 VanDerWaalsContact C-N 3.34Å; T6-S8 PolarHBondContact O-N 3.01Å; T6-S8 PolarHBondContact O-OG 3.35Å; T6-S8 VanDerWaalsContact O-OG 3.05Å
7	R	48.1	Very low	38.3	Very low	244 Å²	244	137.6 Å²	137.6	92%	0.921	82%	0.817	S	S	*	*	S	Bend	trans	38.1	43.5	140	-143.8	174.3	-176.1	167.4	1	118.8
8	S	41.2	Very low	38.2	Very low	103 Å²	103	136 Å²	136	72%	0.72	80%	0.804	S	S	*	*			trans	-141	1.1	169.3	38.3	0	0	0	0	115.9	T6	T6-S8 VanDerWaalsContact C-N 3.34Å; T6-S8 PolarHBondContact O-N 3.01Å; T6-S8 PolarHBondContact O-OG 3.35Å; T6-S8 VanDerWaalsContact O-OG 3.05Å
9	D	36.6	Very low	38.2	Very low	159 Å²	159	135.1 Å²	135.1	85%	0.85	80%	0.802	S	S	*	*			trans	-98.2	15.4	177.8	-72	-30.9	0	0	0	114.8	G11	D9-G11 PolarHBondContact O-N 3.47Å; D9-G11 VanDerWaalsContact O-N 3.13Å
10	I	40.7	Very low	38.2	Very low	159 Å²	159	135 Å²	135	82%	0.815	80%	0.802	S	S	*	*			trans	-85.9	85.8	171.3	-57	173.1	0	0	0	107.8
11	G	36.6	Very low	38	Very low	52 Å²	52	133.5 Å²	133.5	54%	0.536	79%	0.79	S	S	.	*	P	Polyproline II helix	trans	-68.8	155.3	161.4	0	0	0	0	0	110.9	D9 A13	D9-G11 PolarHBondContact O-N 3.47Å; D9-G11 VanDerWaalsContact O-N 3.13Å; G11-A13 PolarHBondContact O-N 3.39Å
12	P	42	Very low	38	Very low	133 Å²	133	133.5 Å²	133.5	86%	0.864	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-64.7	134.4	-172.6	-16.9	30	0	0	0	112.5
13	A	36.8	Very low	38.4	Very low	99 Å²	99	135.7 Å²	135.7	82%	0.818	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-57	137.3	172.6	0	0	0	0	0	111.3	G11	G11-A13 PolarHBondContact O-N 3.39Å
14	R	40.8	Very low	38.6	Very low	208 Å²	208	140.8 Å²	140.8	79%	0.785	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-64.7	136.2	169.1	-80	175.7	76.5	165.6	1.6	109.2	D18	R14-D18 IonicContact CZ-OD2 2.63Å; R14-D18 IonicContact NE-OD2 3.01Å; R14-D18 IonicContact NH2-OD2 3.84Å; R14-D18 PolarHBondContact NH2-OD2 3.49Å
15	D	35.8	Very low	38.7	Very low	144 Å²	144	135.3 Å²	135.3	77%	0.77	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-66.9	140	178.2	-130.7	-26.2	0	0	0	110.8	N17	D15-N17 PolarHBondContact O-N 2.85Å
16	A	38.9	Very low	38.6	Very low	97 Å²	97	134.5 Å²	134.5	80%	0.802	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	24.4	-169.5	0	0	0	0	0	115
17	N	38.5	Very low	38.6	Very low	150 Å²	150	134.7 Å²	134.7	80%	0.802	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.6	19.1	-173.6	-81.9	-29.4	0	0	0	114.4	D15	D15-N17 PolarHBondContact O-N 2.85Å
18	D	36	Very low	37.9	Very low	108 Å²	108	126.3 Å²	126.3	58%	0.578	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-88	124.5	170.6	-103.9	-13.6	0	0	0	110.7	R14	R14-D18 IonicContact CZ-OD2 2.63Å; R14-D18 IonicContact NE-OD2 3.01Å; R14-D18 IonicContact NH2-OD2 3.84Å; R14-D18 PolarHBondContact NH2-OD2 3.49Å
19	P	38.4	Very low	37.6	Very low	119 Å²	119	131.2 Å²	131.2	77%	0.773	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-64.8	138.5	-179	-19.9	31.8	0	0	0	113.4	D21	P19-D21 PolarHBondContact O-N 2.82Å
20	V	39.1	Very low	37.5	Very low	132 Å²	132	134.4 Å²	134.4	80%	0.8	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-70.5	121	177.7	-166.3	0	0	0	0	110.2	D22	V20-D22 PolarHBondContact O-N 2.91Å
21	D	34.2	Very low	37.3	Very low	104 Å²	104	132.5 Å²	132.5	56%	0.556	75%	0.748	S	S	*	*			trans	-89.7	86.9	-179.2	-164.5	2.4	0	0	0	110.8	P19 R23	P19-D21 PolarHBondContact O-N 2.82Å; D21-R23 VanDerWaalsContact CG-NH2 3.34Å; D21-R23 PolarHBondContact O-N 3.48Å; D21-R23 IonicContact OD1-CZ 3.69Å; D21-R23 IonicContact OD1-NE 3.35Å; D21-R23 PolarHBondContact OD1-NE 3.4Å; D21-R23 IonicContact OD1-NH2 3.87Å; D21-R23 PolarHBondContact OD1-NH2 3.08Å; D21-R23 IonicContact OD2-CZ 2.8Å; D21-R23 IonicContact OD2-NE 2.97Å; D21-R23 PolarHBondContact OD2-NE 3.27Å; D21-R23 IonicContact OD2-NH2 3.9Å; D21-R23 PolarHBondContact OD2-NH2 3.25Å
22	D	37.3	Very low	37.3	Very low	156 Å²	156	135.6 Å²	135.6	83%	0.834	76%	0.756	S	S	*	*			trans	-69.6	66.8	176.2	-98.4	-25.6	0	0	0	112.6	V20	V20-D22 PolarHBondContact O-N 2.91Å
23	R	41.2	Very low	37.4	Very low	166 Å²	166	132.5 Å²	132.5	63%	0.626	75%	0.748	S	S	*	*			trans	-120.6	14.2	179.9	-81.9	-168.7	-79.3	-174.7	-4.2	116.5	D21	D21-R23 VanDerWaalsContact CG-NH2 3.34Å; D21-R23 PolarHBondContact O-N 3.48Å; D21-R23 IonicContact OD1-CZ 3.69Å; D21-R23 IonicContact OD1-NE 3.35Å; D21-R23 PolarHBondContact OD1-NE 3.4Å; D21-R23 IonicContact OD1-NH2 3.87Å; D21-R23 PolarHBondContact OD1-NH2 3.08Å; D21-R23 IonicContact OD2-CZ 2.8Å; D21-R23 IonicContact OD2-NE 2.97Å; D21-R23 PolarHBondContact OD2-NE 3.27Å; D21-R23 IonicContact OD2-NH2 3.9Å; D21-R23 PolarHBondContact OD2-NH2 3.25Å
24	H	38.4	Very low	37.4	Very low	187 Å²	187	134.2 Å²	134.2	87%	0.866	74%	0.744	S	S	*	*			trans	-122.2	125.6	169.6	-72.3	-59.9	0	0	0	113.1
25	A	33.8	Very low	37.3	Very low	63 Å²	63	131.6 Å²	131.6	52%	0.521	74%	0.74	S	S	.	*	P	Polyproline II helix	trans	-69.5	145.3	172.5	0	0	0	0	0	110.1
26	P	39.4	Very low	37.4	Very low	115 Å²	115	133.3 Å²	133.3	75%	0.747	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-62	134.6	175.2	24.1	-31.9	0	0	0	110.1	G28	P26-G28 PolarHBondContact O-N 3.45Å
27	P	36.5	Very low	37.4	Very low	130 Å²	130	138.3 Å²	138.3	84%	0.844	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-62.6	132.6	173.8	23.7	-30.1	0	0	0	110.2
28	G	34.3	Very low	37.2	Very low	68 Å²	68	140.2 Å²	140.2	70%	0.701	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-59.5	145	-178.3	0	0	0	0	0	113	P26 R30	P26-G28 PolarHBondContact O-N 3.45Å; G28-R30 PolarHBondContact O-N 3.36Å; G28-R30 VanDerWaalsContact O-N 3.14Å
29	K	35	Very low	37	Very low	207 Å²	207	142.6 Å²	142.6	90%	0.9	76%	0.763	S	S	*	*			trans	-45.5	116.2	171.5	-73.1	-179.5	174.4	-175.9	0	110.3	T31	K29-T31 PolarHBondContact O-N 2.85Å
30	R	33.6	Very low	36.8	Very low	225 Å²	225	145 Å²	145	85%	0.849	76%	0.764	S	S	*	*			trans	-64.5	127.2	161.7	-74.1	-176.3	179	170.6	0.6	107.7	G28	G28-R30 PolarHBondContact O-N 3.36Å; G28-R30 VanDerWaalsContact O-N 3.14Å
31	T	35.7	Very low	36.4	Very low	120 Å²	120	145.1 Å²	145.1	74%	0.736	77%	0.766	S	S	*	*			trans	-70.2	155.7	-179.7	43.1	0	0	0	0	111	K29 G33	K29-T31 PolarHBondContact O-N 2.85Å; T31-G33 PolarHBondContact O-N 2.75Å
32	V	37.9	Very low	36.2	Very low	117 Å²	117	144.3 Å²	144.3	71%	0.709	77%	0.773	S	S	*	*	G	3₁₀ helix	trans	-52.2	-9.4	-171.2	-179.5	0	0	0	0	115.5	D34	V32-D34 PolarHBondContact O-N 3.29Å
33	G	42.7	Very low	36	Very low	67 Å²	67	143.8 Å²	143.8	69%	0.691	77%	0.771	S	S	*	*	G	3₁₀ helix	trans	-72.5	-25.2	-176.2	0	0	0	0	0	116.2	T31	T31-G33 PolarHBondContact O-N 2.75Å
34	D	37.2	Very low	35.7	Very low	136 Å²	136	142.4 Å²	142.4	73%	0.727	78%	0.775	S	S	*	*	G	3₁₀ helix	trans	-88.2	-10.7	-179.2	-95.8	-17.4	0	0	0	113.7	V32 M36	V32-D34 PolarHBondContact O-N 3.29Å; D34-M36 VanDerWaalsContact C-N 3.3Å; D34-M36 PolarHBondContact O-N 3.35Å
35	Q	38.9	Very low	36.2	Very low	153 Å²	153	139.7 Å²	139.7	72%	0.715	77%	0.767	S	S	*	*	G	3₁₀ helix	trans	-75.2	-14.2	-178.4	-82.5	178.6	-19.2	0	0	113.9	K37	Q35-K37 PolarHBondContact O-N 3.1Å
36	M	38.8	Very low	36.9	Very low	180 Å²	180	144.9 Å²	144.9	89%	0.887	79%	0.786	S	S	*	*	G	3₁₀ helix	trans	-86.9	1.7	-169.5	-148.1	119.5	-179.5	0	0	115.2	D34	D34-M36 VanDerWaalsContact C-N 3.3Å; D34-M36 PolarHBondContact O-N 3.35Å
37	K	38.5	Very low	38	Very low	202 Å²	202	146 Å²	146	88%	0.878	78%	0.782	S	S	*	*	G	3₁₀ helix	trans	-118.2	8.7	-170	-127	178.7	-174.7	178.2	0	117	Q35	Q35-K37 PolarHBondContact O-N 3.1Å
38	K	33.5	Very low	39.6	Very low	190 Å²	190	144.6 Å²	144.6	83%	0.826	77%	0.767	S	S	*	*			trans	-131.3	31.2	176.8	-128.3	-175.8	-179	-167.3	0	114.1	Q40	K38-Q40 PolarHBondContact O-N 3.16Å
39	N	33.3	Very low	41.6	Very low	158 Å²	158	145.9 Å²	145.9	85%	0.845	76%	0.757	S	S	*	*			trans	-89.3	41.3	165.6	-90.3	5.3	0	0	0	112.4
40	Q	32.6	Very low	43.6	Very low	168 Å²	168	140.4 Å²	140.4	79%	0.785	74%	0.738	S	S	*	*	S	Bend	trans	-138.1	124.8	165.2	-73.5	-177.9	1.2	0	0	107.1	K38	K38-Q40 PolarHBondContact O-N 3.16Å
41	T	31.6	Very low	45.6	Very low	136 Å²	136	135.9 Å²	135.9	83%	0.834	73%	0.731	S	S	*	*	S	Bend	trans	73.1	84.2	-172.7	71.1	0	0	0	0	113.2
42	A	30.3	Very low	47.8	Very low	87 Å²	87	136.1 Å²	136.1	72%	0.719	73%	0.732	S	S	*	*				69.5	115.7	72.3	0	0	0	0	0	112.9
43	D	33.4	Very low	49.8	Very low	145 Å²	145	132.6 Å²	132.6	78%	0.775	71%	0.709	S	S	*	*			trans	81.1	105.7	155.5	-53.9	-13.3	0	0	0	119.4
44	D	34.7	Very low	51.7	Low	136 Å²	136	134.7 Å²	134.7	73%	0.727	70%	0.697	S	S	*	*			trans	71.7	119.4	136.7	-61.7	-10.7	0	0	0	121.1
45	D	47.4	Very low	53.9	Low	130 Å²	130	131.4 Å²	131.4	70%	0.695	68%	0.68	S	S	*	*			trans	74.2	64.8	136.5	-55.3	-16.3	0	0	0	119.3
46	D	50.2	Low	56	Low	172 Å²	172	132.7 Å²	132.7	92%	0.92	69%	0.686	S	S	*	*			trans	-117.6	71.9	151	-76.6	-34.8	0	0	0	109.3	D48	D46-D48 PolarHBondContact O-N 3.37Å
47	E	61.8	Low	58.2	Low	139 Å²	139	133 Å²	133	65%	0.65	68%	0.682	S	S	*	*			trans	-60.6	127.5	165	-67.9	-179	163.5	0	0	108.8	L49	E47-L49 HydrophobicContact CB-CD1 4.47Å; E47-L49 HydrophobicContact CB-CD2 4.44Å; E47-L49 HydrophobicContact CB-CG 4.06Å; E47-L49 PolarHBondContact O-N 2.79Å
48	D	69.4	Low	60.3	Low	101 Å²	101	129.3 Å²	129.3	54%	0.54	67%	0.672	S	S	.	*			trans	-74	79.4	179.3	-169	2.8	0	0	0	110.4	D46 N50 N53	D46-D48 PolarHBondContact O-N 3.37Å; D48-N50 PolarHBondContact O-N 2.73Å; D48-N50 VanDerWaalsContact OD1-CB 3.23Å; D48-N50 WeakPolarHBondContact OD1-CB 3.47Å; D48-N50 PolarHBondContact OD1-N 3.18Å; D48-N53 PolarHBondContact O-ND2 3.3Å; D48-N53 VanDerWaalsContact O-ND2 3.08Å
49	L	77.4	Confident	62.7	Low	95 Å²	95	121.2 Å²	121.2	50%	0.497	64%	0.643	S	S	.	*			trans	-83.5	16	-179.5	-65.2	170.8	0	0	0	112.9	E47 Y60	E47-L49 HydrophobicContact CB-CD1 4.47Å; E47-L49 HydrophobicContact CB-CD2 4.44Å; E47-L49 HydrophobicContact CB-CG 4.06Å; E47-L49 PolarHBondContact O-N 2.79Å; L49-Y60 HydrophobicContact CB-CE1 4.24Å; L49-Y60 HydrophobicContact CD2-CD2 3.96Å; L49-Y60 HydrophobicContact CD2-CE1 4.18Å; L49-Y60 HydrophobicContact CD2-CE2 3.52Å; L49-Y60 HydrophobicContact CD2-CG 4.45Å; L49-Y60 WeakPolarHBondContact O-CE1 3.47Å; L49-Y60 PolarHBondContact O-OH 3.13Å
50	N	77.1	Confident	65	Low	92 Å²	92	118.3 Å²	118.3	49%	0.492	62%	0.621	S	S	.	*			trans	-68.3	139.7	179.3	-164.4	6.5	0	0	0	110.9	D48 T52 N53 Y54	D48-N50 PolarHBondContact O-N 2.73Å; D48-N50 VanDerWaalsContact OD1-CB 3.23Å; D48-N50 WeakPolarHBondContact OD1-CB 3.47Å; D48-N50 PolarHBondContact OD1-N 3.18Å; N50-T52 PolarHBondContact ND2-OG1 3.01Å; N50-T52 PolarHBondContact O-N 3.33Å; N50-N53 WeakPolarHBondContact O-CA 3.48Å; N50-N53 WeakPolarHBondContact O-CB 3.39Å; N50-N53 PolarHBondContact O-N 2.83Å; N50-Y54 PolarHBondContact O-N 2.97Å
51	D	76.1	Confident	67	Low	130 Å²	130	113.3 Å²	113.3	70%	0.695	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	-23.8	-176.7	-68.7	-9.4	0	0	0	112.7	N53 Y54	D51-N53 VanDerWaalsContact C-N 3.27Å; D51-N53 PolarHBondContact O-N 3.23Å; D51-Y54 PolarHBondContact O-N 3.46Å; D51-Y54 VanDerWaalsContact O-O 3.04Å
52	T	80.9	Confident	69.1	Low	124 Å²	124	110 Å²	110	76%	0.761	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-23.4	174.5	56.2	0	0	0	0	113.7	N50	N50-T52 PolarHBondContact ND2-OG1 3.01Å; N50-T52 PolarHBondContact O-N 3.33Å
53	N	80.1	Confident	71.3	Confident	44 Å²	44	110.4 Å²	110.4	24%	0.235	60%	0.599	C	S	.	*	T	Hydrogen-bonded Turn	trans	-93.4	-12.5	175.1	-162.2	45.4	0	0	0	111.3	D48 N50 D51 Y60 A61	D48-N53 PolarHBondContact O-ND2 3.3Å; D48-N53 VanDerWaalsContact O-ND2 3.08Å; N50-N53 WeakPolarHBondContact O-CA 3.48Å; N50-N53 WeakPolarHBondContact O-CB 3.39Å; N50-N53 PolarHBondContact O-N 2.83Å; D51-N53 VanDerWaalsContact C-N 3.27Å; D51-N53 PolarHBondContact O-N 3.23Å; N53-Y60 HydrophobicContact CB-CD1 4.48Å; N53-Y60 CarbonylContact O-C 3.58Å; N53-Y60 WeakPolarHBondContact O-CA 3.47Å; N53-A61 PolarHBondContact ND2-O 3.33Å; N53-A61 PolarHBondContact O-N 3.24Å; N53-A61 WeakPolarHBondContact OD1-CB 3.49Å; N53-A61 PolarHBondContact OD1-O 3.49Å
54	Y	83.1	Confident	73.2	Confident	110 Å²	110	110.3 Å²	110.3	43%	0.431	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.1	130.5	172.4	-170.3	-110.7	0	0	0	110.5	N50 D51 Y60	N50-Y54 PolarHBondContact O-N 2.97Å; D51-Y54 PolarHBondContact O-N 3.46Å; D51-Y54 VanDerWaalsContact O-O 3.04Å; Y54-Y60 AromaticContact CD2-CD1 3.99Å; Y54-Y60 HydrophobicContact CD2-CD1 3.99Å; Y54-Y60 AromaticContact CD2-CD2 3.71Å; Y54-Y60 HydrophobicContact CD2-CD2 3.71Å; Y54-Y60 AromaticContact CD2-CE1 3.91Å; Y54-Y60 HydrophobicContact CD2-CE1 3.91Å; Y54-Y60 AromaticContact CD2-CE2 3.63Å; Y54-Y60 HydrophobicContact CD2-CE2 3.63Å; Y54-Y60 AromaticContact CD2-CG 3.89Å; Y54-Y60 HydrophobicContact CD2-CG 3.89Å; Y54-Y60 AromaticContact CD2-CZ 3.75Å; Y54-Y60 HydrophobicContact CE2-CD2 4.25Å; Y54-Y60 HydrophobicContact CE2-CE2 4.16Å; Y54-Y60 HydrophobicContact CG-CD1 4.43Å; Y54-Y60 HydrophobicContact CG-CE1 4.14Å
55	D	82.8	Confident	74.9	Confident	68 Å²	68	113 Å²	113	36%	0.364	60%	0.603	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.8	135	165.8	176.2	31.3	0	0	0	108.8	F57 N58 G59	D55-F57 PolarHBondContact O-N 2.94Å; D55-N58 HydrophobicContact CB-CB 4.39Å; D55-N58 WeakPolarHBondContact OD2-CB 3.33Å; D55-N58 PolarHBondContact OD2-N 3.17Å; D55-N58 PolarHBondContact OD2-ND2 3.29Å; D55-G59 PolarHBondContact N-O 2.89Å; D55-G59 VanDerWaalsContact O-CA 3.23Å; D55-G59 WeakPolarHBondContact O-CA 3.47Å; D55-G59 PolarHBondContact O-N 3.26Å
56	E	82.6	Confident	76	Confident	180 Å²	180	111.4 Å²	111.4	84%	0.841	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-29.9	-174.3	-64.5	160.6	160	0	0	112
57	F	85.2	Confident	76.7	Confident	185 Å²	185	108.9 Å²	108.9	81%	0.811	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-48.1	179.4	-169.5	-96.1	0	0	0	112.8	D55	D55-F57 PolarHBondContact O-N 2.94Å
58	N	81.9	Confident	77.1	Confident	125 Å²	125	104.4 Å²	104.4	67%	0.668	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-7.8	-173.1	-63.5	-58.8	0	0	0	114.3	D55	D55-N58 HydrophobicContact CB-CB 4.39Å; D55-N58 WeakPolarHBondContact OD2-CB 3.33Å; D55-N58 PolarHBondContact OD2-N 3.17Å; D55-N58 PolarHBondContact OD2-ND2 3.29Å
59	G	85	Confident	77.1	Confident	20 Å²	20	105.1 Å²	105.1	21%	0.206	60%	0.599	C	S	.	*	E	Extended strand (participates in β ladder)	trans	76.4	-154.7	-171.5	0	0	0	0	0	112.2	D55 A61	D55-G59 PolarHBondContact N-O 2.89Å; D55-G59 VanDerWaalsContact O-CA 3.23Å; D55-G59 WeakPolarHBondContact O-CA 3.47Å; D55-G59 PolarHBondContact O-N 3.26Å; G59-A61 PolarHBondContact O-N 2.91Å
60	Y	81.3	Confident	76.9	Confident	98 Å²	98	106.7 Å²	106.7	38%	0.384	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-69.3	130.4	177.6	-75	-75.1	0	0	0	111.7	L49 N53 Y54 G62	L49-Y60 HydrophobicContact CB-CE1 4.24Å; L49-Y60 HydrophobicContact CD2-CD2 3.96Å; L49-Y60 HydrophobicContact CD2-CE1 4.18Å; L49-Y60 HydrophobicContact CD2-CE2 3.52Å; L49-Y60 HydrophobicContact CD2-CG 4.45Å; L49-Y60 WeakPolarHBondContact O-CE1 3.47Å; L49-Y60 PolarHBondContact O-OH 3.13Å; N53-Y60 HydrophobicContact CB-CD1 4.48Å; N53-Y60 CarbonylContact O-C 3.58Å; N53-Y60 WeakPolarHBondContact O-CA 3.47Å; Y54-Y60 AromaticContact CD2-CD1 3.99Å; Y54-Y60 HydrophobicContact CD2-CD1 3.99Å; Y54-Y60 AromaticContact CD2-CD2 3.71Å; Y54-Y60 HydrophobicContact CD2-CD2 3.71Å; Y54-Y60 AromaticContact CD2-CE1 3.91Å; Y54-Y60 HydrophobicContact CD2-CE1 3.91Å; Y54-Y60 AromaticContact CD2-CE2 3.63Å; Y54-Y60 HydrophobicContact CD2-CE2 3.63Å; Y54-Y60 AromaticContact CD2-CG 3.89Å; Y54-Y60 HydrophobicContact CD2-CG 3.89Å; Y54-Y60 AromaticContact CD2-CZ 3.75Å; Y54-Y60 HydrophobicContact CE2-CD2 4.25Å; Y54-Y60 HydrophobicContact CE2-CE2 4.16Å; Y54-Y60 HydrophobicContact CG-CD1 4.43Å; Y54-Y60 HydrophobicContact CG-CE1 4.14Å; Y60-G62 PolarHBondContact O-N 2.87Å
61	A	75.1	Confident	77	Confident	62 Å²	62	108 Å²	108	51%	0.512	60%	0.602	S	S	.	*	S	Bend	trans	-73.1	124.4	176.3	0	0	0	0	0	110.6	N53 G59	N53-A61 PolarHBondContact ND2-O 3.33Å; N53-A61 PolarHBondContact O-N 3.24Å; N53-A61 WeakPolarHBondContact OD1-CB 3.49Å; N53-A61 PolarHBondContact OD1-O 3.49Å; G59-A61 PolarHBondContact O-N 2.91Å
62	G	76.1	Confident	77.3	Confident	67 Å²	67	109.2 Å²	109.2	69%	0.691	60%	0.602	S	S	*	*	S	Bend	trans	141.8	131.6	-176.6	0	0	0	0	0	110.5	Y60	Y60-G62 PolarHBondContact O-N 2.87Å
63	S	74.9	Confident	77.3	Confident	96 Å²	96	108.2 Å²	108.2	67%	0.671	59%	0.591	S	S	*	*			trans	-82.6	125.1	-179.8	59.2	0	0	0	0	111.1	F65	S63-F65 PolarHBondContact O-N 3.4Å
64	L	74.5	Confident	77.5	Confident	143 Å²	143	109.4 Å²	109.4	75%	0.749	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-23.2	179.7	-68.4	165.1	0	0	0	113.3
65	F	70.8	Confident	77.4	Confident	191 Å²	191	110 Å²	110	84%	0.838	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	8.2	-166.8	-60.1	-74.6	0	0	0	114.6	S63 S67	S63-F65 PolarHBondContact O-N 3.4Å; F65-S67 PolarHBondContact O-N 3.34Å
66	S	69.9	Low	77.6	Confident	98 Å²	98	112.2 Å²	112.2	69%	0.685	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-6.7	-174	-170.9	0	0	0	0	115.5
67	S	65.4	Low	77.7	Confident	118 Å²	118	105.4 Å²	105.4	83%	0.825	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.9	-4	-171.6	62.2	0	0	0	0	115.5	F65	F65-S67 PolarHBondContact O-N 3.34Å
68	G	70.1	Confident	77.7	Confident	46 Å²	46	100.6 Å²	100.6	47%	0.474	57%	0.57	S	S	.	*	S	Bend	trans	-73.5	161.6	169.2	0	0	0	0	0	112	Y70	G68-Y70 PolarHBondContact O-N 3.32Å
69	P	68.7	Low	78	Confident	115 Å²	115	97.5 Å²	97.5	75%	0.747	56%	0.562	S	S	*	*			trans	-63.1	107.6	173.3	26.9	-31.2	0	0	0	108.9
70	Y	74.1	Confident	78.1	Confident	129 Å²	129	101.7 Å²	101.7	51%	0.506	58%	0.578	S	S	.	*			trans	-83.8	109.3	175.7	-168.3	-101.2	0	0	0	108	G68 D74 E75 D78	G68-Y70 PolarHBondContact O-N 3.32Å; Y70-D74 HydrophobicContact CD1-CB 4.49Å; Y70-D74 HydrophobicContact CD2-CB 3.78Å; Y70-D74 HydrophobicContact CE1-CB 4.39Å; Y70-D74 HydrophobicContact CE2-CB 3.65Å; Y70-D74 HydrophobicContact CG-CB 4.22Å; Y70-E75 HydrophobicContact CE1-CB 3.72Å; Y70-E75 HydrophobicContact CE1-CG 4.27Å; Y70-E75 WeakPolarHBondContact OH-CA 3.38Å; Y70-D78 WeakPolarHBondContact CE2-OD2 3.46Å; Y70-D78 WeakPolarHBondContact OH-CB 3.19Å; Y70-D78 VanDerWaalsContact OH-CG 3.29Å; Y70-D78 PolarHBondContact OH-OD2 3.33Å
71	E	79.3	Confident	78.4	Confident	118 Å²	118	104.2 Å²	104.2	55%	0.551	59%	0.588	S	S	*	*			trans	-94.9	172	-174.7	-67	-170.3	-168.7	0	0	111.4	D73 D74 E75	E71-D73 VanDerWaalsContact C-N 3.26Å; E71-D73 VanDerWaalsContact CB-OD1 3.29Å; E71-D73 WeakPolarHBondContact CB-OD1 3.48Å; E71-D73 PolarHBondContact O-N 2.98Å; E71-D74 PolarHBondContact N-OD2 2.97Å; E71-D74 WeakPolarHBondContact O-CB 3.48Å; E71-D74 PolarHBondContact O-N 2.92Å; E71-D74 VanDerWaalsContact O-N 3.12Å; E71-E75 PolarHBondContact O-N 3.45Å
72	K	80.4	Confident	79.1	Confident	157 Å²	157	104 Å²	104	68%	0.683	59%	0.586	S	S	*	*	H	α-helix	trans	-67.5	-30.1	-170.1	-172.4	171.6	178.3	172.6	0	112.6	E75 E76	K72-E75 PolarHBondContact O-N 2.82Å; K72-E76 WeakPolarHBondContact O-CG 3.48Å; K72-E76 PolarHBondContact O-N 3.2Å; K72-E76 VanDerWaalsContact O-N 3.13Å
73	D	81.4	Confident	79.6	Confident	102 Å²	102	103.4 Å²	103.4	55%	0.545	58%	0.575	S	S	.	*	H	α-helix	trans	-71.3	-32	173.4	52.5	-23.4	0	0	0	112.6	E71 E76 A77	E71-D73 VanDerWaalsContact C-N 3.26Å; E71-D73 VanDerWaalsContact CB-OD1 3.29Å; E71-D73 WeakPolarHBondContact CB-OD1 3.48Å; E71-D73 PolarHBondContact O-N 2.98Å; D73-E76 PolarHBondContact O-N 2.8Å; D73-A77 WeakPolarHBondContact O-CB 3.41Å; D73-A77 PolarHBondContact O-N 3.48Å
74	D	84.7	Confident	80.2	Confident	69 Å²	69	103.3 Å²	103.3	37%	0.369	57%	0.567	S	S	.	*	H	α-helix	trans	-63.8	-43.1	170.4	-60.5	-50.6	0	0	0	111.2	Y70 E71 E76 A77 D78	Y70-D74 HydrophobicContact CD1-CB 4.49Å; Y70-D74 HydrophobicContact CD2-CB 3.78Å; Y70-D74 HydrophobicContact CE1-CB 4.39Å; Y70-D74 HydrophobicContact CE2-CB 3.65Å; Y70-D74 HydrophobicContact CG-CB 4.22Å; E71-D74 PolarHBondContact N-OD2 2.97Å; E71-D74 WeakPolarHBondContact O-CB 3.48Å; E71-D74 PolarHBondContact O-N 2.92Å; E71-D74 VanDerWaalsContact O-N 3.12Å; D74-E76 VanDerWaalsContact C-N 3.34Å; D74-E76 PolarHBondContact O-N 3.25Å; D74-A77 PolarHBondContact O-N 3.12Å; D74-D78 PolarHBondContact O-N 3.34Å
75	E	82.3	Confident	80.8	Confident	123 Å²	123	101.6 Å²	101.6	58%	0.575	56%	0.559	S	S	*	*	H	α-helix	trans	-62.4	-41.5	176.2	-168.3	178.8	178.6	0	0	111.8	Y70 E71 K72 A79	Y70-E75 HydrophobicContact CE1-CB 3.72Å; Y70-E75 HydrophobicContact CE1-CG 4.27Å; Y70-E75 WeakPolarHBondContact OH-CA 3.38Å; E71-E75 PolarHBondContact O-N 3.45Å; K72-E75 PolarHBondContact O-N 2.82Å; E75-A79 VanDerWaalsContact O-CB 3.27Å; E75-A79 WeakPolarHBondContact O-CB 3.25Å; E75-A79 PolarHBondContact O-N 2.8Å
76	E	85.7	Confident	81.5	Confident	115 Å²	115	98.2 Å²	98.2	54%	0.537	54%	0.543	S	S	.	.	H	α-helix	trans	-66.9	-39.2	176.3	-73.2	179.9	-171.5	0	0	111.5	K72 D73 D74 A79 I80	K72-E76 WeakPolarHBondContact O-CG 3.48Å; K72-E76 PolarHBondContact O-N 3.2Å; K72-E76 VanDerWaalsContact O-N 3.13Å; D73-E76 PolarHBondContact O-N 2.8Å; D74-E76 VanDerWaalsContact C-N 3.34Å; D74-E76 PolarHBondContact O-N 3.25Å; E76-A79 PolarHBondContact O-N 2.78Å; E76-I80 VanDerWaalsContact O-CG1 3.26Å; E76-I80 WeakPolarHBondContact O-CG1 3.41Å; E76-I80 PolarHBondContact O-N 2.93Å; E76-I80 VanDerWaalsContact O-N 3.07Å
77	A	84.4	Confident	82.2	Confident	37 Å²	37	102.3 Å²	102.3	31%	0.306	54%	0.544	S	S	.	.	H	α-helix	trans	-64.5	-48.6	175.9	0	0	0	0	0	111.7	D73 D74 A79 I80 Y81	D73-A77 WeakPolarHBondContact O-CB 3.41Å; D73-A77 PolarHBondContact O-N 3.48Å; D74-A77 PolarHBondContact O-N 3.12Å; A77-A79 VanDerWaalsContact C-N 3.31Å; A77-A79 PolarHBondContact O-N 3.39Å; A77-I80 WeakPolarHBondContact O-CB 3.16Å; A77-I80 PolarHBondContact O-N 3.27Å; A77-I80 VanDerWaalsContact O-N 3.1Å; A77-Y81 WeakPolarHBondContact O-CD2 3.15Å; A77-Y81 PolarHBondContact O-N 3Å
78	D	86.4	Confident	82.9	Confident	83 Å²	83	101.5 Å²	101.5	44%	0.444	53%	0.528	S	S	.	.	H	α-helix	trans	-64.6	-36.2	177.9	-81.8	-12	0	0	0	111.8	Y70 D74 I80 Y81 A82	Y70-D78 WeakPolarHBondContact CE2-OD2 3.46Å; Y70-D78 WeakPolarHBondContact OH-CB 3.19Å; Y70-D78 VanDerWaalsContact OH-CG 3.29Å; Y70-D78 PolarHBondContact OH-OD2 3.33Å; D74-D78 PolarHBondContact O-N 3.34Å; D78-I80 VanDerWaalsContact C-N 3.3Å; D78-I80 PolarHBondContact O-N 3.18Å; D78-Y81 PolarHBondContact O-N 2.97Å; D78-A82 WeakPolarHBondContact O-CB 3.33Å; D78-A82 PolarHBondContact O-N 3.48Å
79	A	87.4	Confident	83.5	Confident	61 Å²	61	102.9 Å²	102.9	50%	0.504	53%	0.525	S	S	.	.	H	α-helix	trans	-61.8	-39.1	172.9	0	0	0	0	0	111.8	E75 E76 A77 A83	E75-A79 VanDerWaalsContact O-CB 3.27Å; E75-A79 WeakPolarHBondContact O-CB 3.25Å; E75-A79 PolarHBondContact O-N 2.8Å; E76-A79 PolarHBondContact O-N 2.78Å; A77-A79 VanDerWaalsContact C-N 3.31Å; A77-A79 PolarHBondContact O-N 3.39Å; A79-A83 WeakPolarHBondContact O-CB 3.39Å; A79-A83 PolarHBondContact O-N 3.31Å
80	I	87.9	Confident	84.2	Confident	107 Å²	107	102.9 Å²	102.9	55%	0.549	52%	0.515	S	S	.	.	H	α-helix	trans	-68.1	-48	175.9	-68.4	165.7	0	0	0	110.7	E76 A77 D78 A83 L84	E76-I80 VanDerWaalsContact O-CG1 3.26Å; E76-I80 WeakPolarHBondContact O-CG1 3.41Å; E76-I80 PolarHBondContact O-N 2.93Å; E76-I80 VanDerWaalsContact O-N 3.07Å; A77-I80 WeakPolarHBondContact O-CB 3.16Å; A77-I80 PolarHBondContact O-N 3.27Å; A77-I80 VanDerWaalsContact O-N 3.1Å; D78-I80 VanDerWaalsContact C-N 3.3Å; D78-I80 PolarHBondContact O-N 3.18Å; I80-A83 PolarHBondContact O-N 3.45Å; I80-L84 HydrophobicContact CG2-CD1 4.31Å; I80-L84 PolarHBondContact O-N 2.97Å
81	Y	87.6	Confident	84.3	Confident	151 Å²	151	105.8 Å²	105.8	59%	0.592	53%	0.525	S	S	*	.	H	α-helix	trans	-64.4	-43.6	179.4	-75.1	-63	0	0	0	112	A77 D78 A83 L84 D85	A77-Y81 WeakPolarHBondContact O-CD2 3.15Å; A77-Y81 PolarHBondContact O-N 3Å; D78-Y81 PolarHBondContact O-N 2.97Å; Y81-A83 VanDerWaalsContact C-N 3.31Å; Y81-A83 PolarHBondContact O-N 2.87Å; Y81-L84 CarbonylContact O-C 3.6Å; Y81-L84 WeakPolarHBondContact O-CA 3.33Å; Y81-L84 WeakPolarHBondContact O-CB 3.49Å; Y81-L84 PolarHBondContact O-N 2.82Å; Y81-D85 PolarHBondContact O-N 2.85Å
82	A	89.1	Confident	84.2	Confident	57 Å²	57	108.5 Å²	108.5	47%	0.471	53%	0.53	S	S	.	.	H	α-helix	trans	-63.6	-36	174.9	0	0	0	0	0	112.2	D78 L84 D85 K86	D78-A82 WeakPolarHBondContact O-CB 3.33Å; D78-A82 PolarHBondContact O-N 3.48Å; A82-L84 VanDerWaalsContact C-N 3.33Å; A82-D85 PolarHBondContact O-N 3.15Å; A82-K86 WeakPolarHBondContact O-CB 3.42Å; A82-K86 PolarHBondContact O-N 3.48Å
83	A	87.4	Confident	84.3	Confident	56 Å²	56	103.7 Å²	103.7	46%	0.463	51%	0.509	S	S	.	.	H	α-helix	trans	-66	-37.6	172.7	0	0	0	0	0	111.7	A79 I80 Y81 R87	A79-A83 WeakPolarHBondContact O-CB 3.39Å; A79-A83 PolarHBondContact O-N 3.31Å; I80-A83 PolarHBondContact O-N 3.45Å; Y81-A83 VanDerWaalsContact C-N 3.31Å; Y81-A83 PolarHBondContact O-N 2.87Å; A83-R87 VanDerWaalsContact O-CB 3.22Å; A83-R87 WeakPolarHBondContact O-CB 3.42Å; A83-R87 PolarHBondContact O-N 2.92Å
84	L	86.9	Confident	84.3	Confident	94 Å²	94	106.8 Å²	106.8	49%	0.492	52%	0.52	S	S	.	.	H	α-helix	trans	-63.5	-49.8	173	-106.6	73.1	0	0	0	111.3	I80 Y81 A82 K86 R87 M88	I80-L84 HydrophobicContact CG2-CD1 4.31Å; I80-L84 PolarHBondContact O-N 2.97Å; Y81-L84 CarbonylContact O-C 3.6Å; Y81-L84 WeakPolarHBondContact O-CA 3.33Å; Y81-L84 WeakPolarHBondContact O-CB 3.49Å; Y81-L84 PolarHBondContact O-N 2.82Å; A82-L84 VanDerWaalsContact C-N 3.33Å; L84-K86 PolarHBondContact O-N 2.89Å; L84-R87 CarbonylContact O-C 3.55Å; L84-R87 WeakPolarHBondContact O-CB 3.38Å; L84-R87 PolarHBondContact O-N 3.2Å; L84-R87 VanDerWaalsContact O-N 3.12Å; L84-M88 WeakPolarHBondContact O-CG 3.34Å; L84-M88 PolarHBondContact O-N 3.45Å
85	D	86.7	Confident	84.3	Confident	107 Å²	107	112.2 Å²	112.2	57%	0.572	54%	0.536	S	S	*	.	H	α-helix	trans	-62.8	-44.4	179.9	-73.7	-12.4	0	0	0	111.3	Y81 A82 R87 M88 D89	Y81-D85 PolarHBondContact O-N 2.85Å; A82-D85 PolarHBondContact O-N 3.15Å; D85-R87 VanDerWaalsContact C-N 3.28Å; D85-R87 PolarHBondContact O-N 3.11Å; D85-M88 WeakPolarHBondContact O-CA 3.41Å; D85-M88 WeakPolarHBondContact O-CB 3.39Å; D85-M88 PolarHBondContact O-N 2.77Å; D85-D89 PolarHBondContact O-N 3.4Å
86	K	86	Confident	84.4	Confident	119 Å²	119	111.8 Å²	111.8	52%	0.517	53%	0.529	S	S	.	.	H	α-helix	trans	-59.2	-40	173.7	-174.6	179.6	176.1	-177.2	0	111.7	A82 L84 D89 E90	A82-K86 WeakPolarHBondContact O-CB 3.42Å; A82-K86 PolarHBondContact O-N 3.48Å; L84-K86 PolarHBondContact O-N 2.89Å; K86-D89 PolarHBondContact O-N 3.49Å; K86-E90 WeakPolarHBondContact O-CG 3.23Å; K86-E90 PolarHBondContact O-N 3.49Å
87	R	84.3	Confident	84.4	Confident	184 Å²	184	111 Å²	111	69%	0.694	53%	0.525	S	S	*	.	H	α-helix	trans	-67.3	-36.7	175.1	-177.5	-178.5	179.5	93.7	0.1	111.8	A83 L84 D85 D89 E90	A83-R87 VanDerWaalsContact O-CB 3.22Å; A83-R87 WeakPolarHBondContact O-CB 3.42Å; A83-R87 PolarHBondContact O-N 2.92Å; L84-R87 CarbonylContact O-C 3.55Å; L84-R87 WeakPolarHBondContact O-CB 3.38Å; L84-R87 PolarHBondContact O-N 3.2Å; L84-R87 VanDerWaalsContact O-N 3.12Å; D85-R87 VanDerWaalsContact C-N 3.28Å; D85-R87 PolarHBondContact O-N 3.11Å; R87-D89 VanDerWaalsContact C-N 3.3Å; R87-E90 PolarHBondContact O-N 3.44Å
88	M	80.9	Confident	84.5	Confident	101 Å²	101	115 Å²	115	50%	0.498	54%	0.538	S	S	.	.	H	α-helix	trans	-64.3	-39.8	174.6	-69.8	-56.7	-68.4	0	0	110.8	L84 D85 R91	L84-M88 WeakPolarHBondContact O-CG 3.34Å; L84-M88 PolarHBondContact O-N 3.45Å; D85-M88 WeakPolarHBondContact O-CA 3.41Å; D85-M88 WeakPolarHBondContact O-CB 3.39Å; D85-M88 PolarHBondContact O-N 2.77Å; M88-R91 PolarHBondContact SD-NH2 3.2Å
89	D	81.5	Confident	84.5	Confident	76 Å²	76	119.7 Å²	119.7	41%	0.406	55%	0.549	S	S	.	.	H	α-helix	trans	-71.4	-29.7	176.5	-91.5	-33.2	0	0	0	114.4	D85 K86 R87 R91 R92 K93 R96	D85-D89 PolarHBondContact O-N 3.4Å; K86-D89 PolarHBondContact O-N 3.49Å; R87-D89 VanDerWaalsContact C-N 3.3Å; D89-R91 PolarHBondContact O-N 3.42Å; D89-R91 VanDerWaalsContact O-N 3.08Å; D89-R92 PolarHBondContact O-N 3.22Å; D89-K93 WeakPolarHBondContact O-CB 3.2Å; D89-K93 PolarHBondContact O-N 3.3Å; D89-R96 PolarHBondContact O-NH2 3.45Å; D89-R96 IonicContact OD1-CZ 2.88Å; D89-R96 VanDerWaalsContact OD1-CZ 3.28Å; D89-R96 IonicContact OD1-NH1 3.36Å; D89-R96 PolarHBondContact OD1-NH1 3.11Å; D89-R96 IonicContact OD1-NH2 3.65Å; D89-R96 PolarHBondContact OD1-NH2 3.18Å; D89-R96 IonicContact OD2-NH1 2.78Å
90	E	82.9	Confident	84.4	Confident	114 Å²	114	122 Å²	122	53%	0.533	55%	0.549	S	S	.	.	H	α-helix	trans	-57.5	-24.3	179.6	-90.7	-173.1	-169.9	0	0	114.2	K86 R87 R92 K93	K86-E90 WeakPolarHBondContact O-CG 3.23Å; K86-E90 PolarHBondContact O-N 3.49Å; R87-E90 PolarHBondContact O-N 3.44Å; E90-R92 PolarHBondContact O-N 3.14Å; E90-K93 HydrophobicContact CG-CD 4.05Å; E90-K93 PolarHBondContact O-N 3.19Å
91	R	76.4	Confident	84.4	Confident	191 Å²	191	124.6 Å²	124.6	72%	0.721	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	-27.4	179.4	-63.7	-179.2	-176.4	-177.3	2.3	114.1	M88 D89	M88-R91 PolarHBondContact SD-NH2 3.2Å; D89-R91 PolarHBondContact O-N 3.42Å; D89-R91 VanDerWaalsContact O-N 3.08Å
92	R	77.8	Confident	84.5	Confident	174 Å²	174	121.7 Å²	121.7	66%	0.657	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.5	12.6	176.4	-77.7	-168.5	178.9	-156	2.2	113.7	D89 E90 E94 R95 R96	D89-R92 PolarHBondContact O-N 3.22Å; E90-R92 PolarHBondContact O-N 3.14Å; R92-E94 PolarHBondContact O-N 3.17Å; R92-R95 PolarHBondContact O-N 3.41Å; R92-R96 WeakPolarHBondContact O-CB 3.37Å; R92-R96 PolarHBondContact O-N 3.03Å
93	K	82.4	Confident	84.4	Confident	56 Å²	56	124.8 Å²	124.8	24%	0.243	55%	0.553	C	S	.	*	H	α-helix	trans	-57.4	-51.9	-170.2	-175	173.2	-176.6	178.9	0	113	D89 E90 R95 R96 E97	D89-K93 WeakPolarHBondContact O-CB 3.2Å; D89-K93 PolarHBondContact O-N 3.3Å; E90-K93 HydrophobicContact CG-CD 4.05Å; E90-K93 PolarHBondContact O-N 3.19Å; K93-R95 PolarHBondContact O-N 3.46Å; K93-R96 PolarHBondContact O-N 3.39Å; K93-R96 VanDerWaalsContact O-N 3.14Å; K93-E97 WeakPolarHBondContact CE-OE1 3.1Å; K93-E97 VanDerWaalsContact CG-CD 3.49Å; K93-E97 HydrophobicContact CG-CG 4.09Å; K93-E97 WeakPolarHBondContact CG-OE1 3.31Å; K93-E97 IonicContact NZ-OE1 3.14Å; K93-E97 WeakPolarHBondContact O-CB 3.35Å; K93-E97 WeakPolarHBondContact O-CG 3.45Å; K93-E97 PolarHBondContact O-N 3.01Å
94	E	82.5	Confident	84.2	Confident	168 Å²	168	125.6 Å²	125.6	79%	0.785	55%	0.549	S	S	*	.	H	α-helix	trans	-56.6	-46.7	-178.4	-68	-178	164.9	0	0	112.8	R92 Q98	R92-E94 PolarHBondContact O-N 3.17Å; E94-Q98 WeakPolarHBondContact O-CB 3.2Å; E94-Q98 PolarHBondContact O-N 3.37Å
95	R	83.3	Confident	84.1	Confident	183 Å²	183	127.2 Å²	127.2	69%	0.691	55%	0.554	S	S	*	*	H	α-helix	trans	-70.5	-35.9	178.4	-88.9	-173.7	-74.2	177.2	-6.1	113.2	R92 K93 R99	R92-R95 PolarHBondContact O-N 3.41Å; K93-R95 PolarHBondContact O-N 3.46Å; R95-R99 VanDerWaalsContact O-CB 3.27Å; R95-R99 WeakPolarHBondContact O-CB 3.31Å; R95-R99 PolarHBondContact O-N 3.44Å; R95-R99 VanDerWaalsContact O-N 3.11Å
96	R	84.3	Confident	84.1	Confident	114 Å²	114	129 Å²	129	43%	0.43	56%	0.557	S	S	.	*	H	α-helix	trans	-68.2	-51.8	179.7	-167.9	-162	-41.8	174.3	3.4	110.2	D89 R92 K93 Q98 R99 E100	D89-R96 PolarHBondContact O-NH2 3.45Å; D89-R96 IonicContact OD1-CZ 2.88Å; D89-R96 VanDerWaalsContact OD1-CZ 3.28Å; D89-R96 IonicContact OD1-NH1 3.36Å; D89-R96 PolarHBondContact OD1-NH1 3.11Å; D89-R96 IonicContact OD1-NH2 3.65Å; D89-R96 PolarHBondContact OD1-NH2 3.18Å; D89-R96 IonicContact OD2-NH1 2.78Å; R92-R96 WeakPolarHBondContact O-CB 3.37Å; R92-R96 PolarHBondContact O-N 3.03Å; K93-R96 PolarHBondContact O-N 3.39Å; K93-R96 VanDerWaalsContact O-N 3.14Å; R96-Q98 PolarHBondContact O-N 3.41Å; R96-R99 PolarHBondContact O-N 3.38Å; R96-E100 WeakPolarHBondContact O-CB 3.39Å; R96-E100 PolarHBondContact O-N 2.79Å
97	E	85.5	Confident	84	Confident	99 Å²	99	130 Å²	130	46%	0.463	56%	0.558	S	S	.	*	H	α-helix	trans	-64.6	-40.8	-179.8	-69.9	-179.2	165.7	0	0	111.7	K93 E100 K101	K93-E97 WeakPolarHBondContact CE-OE1 3.1Å; K93-E97 VanDerWaalsContact CG-CD 3.49Å; K93-E97 HydrophobicContact CG-CG 4.09Å; K93-E97 WeakPolarHBondContact CG-OE1 3.31Å; K93-E97 IonicContact NZ-OE1 3.14Å; K93-E97 WeakPolarHBondContact O-CB 3.35Å; K93-E97 WeakPolarHBondContact O-CG 3.45Å; K93-E97 PolarHBondContact O-N 3.01Å; E97-E100 PolarHBondContact O-N 3.31Å; E97-K101 VanDerWaalsContact O-CB 3.25Å; E97-K101 WeakPolarHBondContact O-CB 3.44Å; E97-K101 PolarHBondContact O-N 3.25Å
98	Q	86.4	Confident	83.9	Confident	121 Å²	121	128 Å²	128	57%	0.565	55%	0.55	S	S	*	*	H	α-helix	trans	-63.7	-43.8	176.5	-173.3	170.6	2.9	0	0	111.5	E94 R96 K101 E102	E94-Q98 WeakPolarHBondContact O-CB 3.2Å; E94-Q98 PolarHBondContact O-N 3.37Å; R96-Q98 PolarHBondContact O-N 3.41Å; Q98-K101 PolarHBondContact O-N 3.42Å; Q98-E102 WeakPolarHBondContact O-CG 3.4Å; Q98-E102 PolarHBondContact O-N 3.19Å
99	R	87.8	Confident	83.8	Confident	181 Å²	181	130.8 Å²	130.8	68%	0.683	56%	0.564	S	S	*	*	H	α-helix	trans	-66.1	-43.7	177.6	-173.3	174	179.6	167.9	0.9	112	R95 R96 K101 E102 E103	R95-R99 VanDerWaalsContact O-CB 3.27Å; R95-R99 WeakPolarHBondContact O-CB 3.31Å; R95-R99 PolarHBondContact O-N 3.44Å; R95-R99 VanDerWaalsContact O-N 3.11Å; R96-R99 PolarHBondContact O-N 3.38Å; R99-K101 VanDerWaalsContact C-N 3.3Å; R99-K101 PolarHBondContact O-N 3.42Å; R99-E102 PolarHBondContact O-N 3.19Å; R99-E103 VanDerWaalsContact O-CB 3.25Å; R99-E103 WeakPolarHBondContact O-CB 3.42Å; R99-E103 PolarHBondContact O-N 3.38Å
100	E	84.5	Confident	83.8	Confident	108 Å²	108	134.3 Å²	134.3	51%	0.505	58%	0.578	S	S	.	*	H	α-helix	trans	-60.5	-41.4	176	-175.6	176.7	-176.4	0	0	111	R96 E97 E103 I104	R96-E100 WeakPolarHBondContact O-CB 3.39Å; R96-E100 PolarHBondContact O-N 2.79Å; E97-E100 PolarHBondContact O-N 3.31Å; E100-E103 PolarHBondContact O-N 2.88Å; E100-I104 HydrophobicContact CG-CD1 3.82Å; E100-I104 WeakPolarHBondContact O-CB 3.4Å; E100-I104 WeakPolarHBondContact O-CD1 3.45Å; E100-I104 WeakPolarHBondContact O-CG1 3.39Å; E100-I104 PolarHBondContact O-N 3.36Å
101	K	88.2	Confident	83.7	Confident	162 Å²	162	136.9 Å²	136.9	70%	0.704	58%	0.583	S	S	*	*	H	α-helix	trans	-63.7	-46.2	176.1	-170.5	177.8	-179.1	-178.9	0	112.5	E97 Q98 R99 E103 E105	E97-K101 VanDerWaalsContact O-CB 3.25Å; E97-K101 WeakPolarHBondContact O-CB 3.44Å; E97-K101 PolarHBondContact O-N 3.25Å; Q98-K101 PolarHBondContact O-N 3.42Å; R99-K101 VanDerWaalsContact C-N 3.3Å; R99-K101 PolarHBondContact O-N 3.42Å; K101-E103 VanDerWaalsContact C-N 3.34Å; K101-E105 WeakPolarHBondContact O-CB 3.34Å; K101-E105 PolarHBondContact O-N 3.02Å
102	E	88.8	Confident	84	Confident	90 Å²	90	129.7 Å²	129.7	42%	0.421	56%	0.561	S	S	.	*	H	α-helix	trans	-65.3	-36.9	176.9	-74.5	-179.6	-165.9	0	0	112.3	Q98 R99 E105 K106	Q98-E102 WeakPolarHBondContact O-CG 3.4Å; Q98-E102 PolarHBondContact O-N 3.19Å; R99-E102 PolarHBondContact O-N 3.19Å; E102-E105 PolarHBondContact O-N 3.39Å; E102-K106 WeakPolarHBondContact O-CB 3.43Å; E102-K106 WeakPolarHBondContact O-CG 3.34Å; E102-K106 PolarHBondContact O-N 3.33Å
103	E	87.7	Confident	84.3	Confident	123 Å²	123	127.1 Å²	127.1	58%	0.575	56%	0.555	S	S	*	*	H	α-helix	trans	-69.6	-43.5	178.8	-170.8	162.6	-164	0	0	111.3	R99 E100 K101 E105 K106 Y107	R99-E103 VanDerWaalsContact O-CB 3.25Å; R99-E103 WeakPolarHBondContact O-CB 3.42Å; R99-E103 PolarHBondContact O-N 3.38Å; E100-E103 PolarHBondContact O-N 2.88Å; K101-E103 VanDerWaalsContact C-N 3.34Å; E103-E105 VanDerWaalsContact C-N 3.3Å; E103-E105 PolarHBondContact O-N 2.95Å; E103-K106 PolarHBondContact O-N 3.41Å; E103-Y107 WeakPolarHBondContact O-CB 3.28Å; E103-Y107 PolarHBondContact O-N 3.34Å
104	I	83.8	Confident	84.2	Confident	73 Å²	73	129.2 Å²	129.2	37%	0.374	57%	0.568	S	S	.	*	H	α-helix	trans	-63.8	-37	174.2	-65.8	164.1	0	0	0	111.1	E100 R108	E100-I104 HydrophobicContact CG-CD1 3.82Å; E100-I104 WeakPolarHBondContact O-CB 3.4Å; E100-I104 WeakPolarHBondContact O-CD1 3.45Å; E100-I104 WeakPolarHBondContact O-CG1 3.39Å; E100-I104 PolarHBondContact O-N 3.36Å; I104-R108 WeakPolarHBondContact O-CB 3.31Å; I104-R108 VanDerWaalsContact O-CG 3.26Å; I104-R108 WeakPolarHBondContact O-CG 3.38Å; I104-R108 PolarHBondContact O-N 3.33Å
105	E	84.8	Confident	84.1	Confident	128 Å²	128	128 Å²	128	60%	0.598	56%	0.562	S	S	*	*	H	α-helix	trans	-66.1	-50.6	176.8	-171.2	-173.5	-171.2	0	0	111.6	K101 E102 E103 Y107 R108 M109	K101-E105 WeakPolarHBondContact O-CB 3.34Å; K101-E105 PolarHBondContact O-N 3.02Å; E102-E105 PolarHBondContact O-N 3.39Å; E103-E105 VanDerWaalsContact C-N 3.3Å; E103-E105 PolarHBondContact O-N 2.95Å; E105-Y107 VanDerWaalsContact C-N 3.33Å; E105-Y107 PolarHBondContact O-N 3.49Å; E105-R108 PolarHBondContact O-N 3.49Å; E105-M109 WeakPolarHBondContact O-CG 3.39Å; E105-M109 PolarHBondContact O-N 3.41Å
106	K	86.6	Confident	83.9	Confident	144 Å²	144	122.6 Å²	122.6	63%	0.626	55%	0.545	S	S	*	.	H	α-helix	trans	-60.5	-43	175.8	-77.7	175.4	-176.6	167.8	0	111.7	E102 E103 R108 M109 E110	E102-K106 WeakPolarHBondContact O-CB 3.43Å; E102-K106 WeakPolarHBondContact O-CG 3.34Å; E102-K106 PolarHBondContact O-N 3.33Å; E103-K106 PolarHBondContact O-N 3.41Å; K106-R108 VanDerWaalsContact C-N 3.33Å; K106-R108 PolarHBondContact O-N 3.42Å; K106-M109 PolarHBondContact O-N 3Å; K106-M109 VanDerWaalsContact O-N 3.14Å; K106-E110 PolarHBondContact O-N 2.66Å
107	Y	83.9	Confident	83.7	Confident	141 Å²	141	122.3 Å²	122.3	55%	0.553	55%	0.548	S	S	*	.	H	α-helix	trans	-61.4	-40.9	177.6	-177.1	-107.7	0	0	0	111.8	E103 E105 M109 E110 R111	E103-Y107 WeakPolarHBondContact O-CB 3.28Å; E103-Y107 PolarHBondContact O-N 3.34Å; E105-Y107 VanDerWaalsContact C-N 3.33Å; E105-Y107 PolarHBondContact O-N 3.49Å; Y107-M109 VanDerWaalsContact C-N 3.34Å; Y107-M109 PolarHBondContact O-N 2.81Å; Y107-E110 PolarHBondContact O-N 3.37Å; Y107-R111 HydrophobicContact CE2-CB 4.47Å; Y107-R111 CarbonylContact O-C 3.56Å; Y107-R111 PolarHBondContact O-N 3.38Å
108	R	81.8	Confident	83.6	Confident	140 Å²	140	122.9 Å²	122.9	53%	0.528	55%	0.549	S	S	.	.	H	α-helix	trans	-68.7	-29.3	175.1	-75.5	177.7	-175.8	-169.6	4.9	113.3	I104 E105 K106 P112	I104-R108 WeakPolarHBondContact O-CB 3.31Å; I104-R108 VanDerWaalsContact O-CG 3.26Å; I104-R108 WeakPolarHBondContact O-CG 3.38Å; I104-R108 PolarHBondContact O-N 3.33Å; E105-R108 PolarHBondContact O-N 3.49Å; K106-R108 VanDerWaalsContact C-N 3.33Å; K106-R108 PolarHBondContact O-N 3.42Å; R108-P112 VanDerWaalsContact O-CA 3.31Å; R108-P112 WeakPolarHBondContact O-CA 3.42Å; R108-P112 WeakPolarHBondContact O-CB 3.46Å; R108-P112 WeakPolarHBondContact O-CD 3.43Å; R108-P112 VanDerWaalsContact O-CG 3.22Å; R108-P112 WeakPolarHBondContact O-CG 3.32Å
109	M	79.3	Confident	83.5	Confident	160 Å²	160	119.2 Å²	119.2	79%	0.788	54%	0.537	S	S	*	.	H	α-helix	trans	-74.3	-38	174.5	-74	-67.8	-73.6	0	0	112.3	E105 K106 Y107	E105-M109 WeakPolarHBondContact O-CG 3.39Å; E105-M109 PolarHBondContact O-N 3.41Å; K106-M109 PolarHBondContact O-N 3Å; K106-M109 VanDerWaalsContact O-N 3.14Å; Y107-M109 VanDerWaalsContact C-N 3.34Å; Y107-M109 PolarHBondContact O-N 2.81Å
110	E	80.6	Confident	83.4	Confident	151 Å²	151	115.7 Å²	115.7	71%	0.706	53%	0.532	S	S	*	.	H	α-helix	trans	-79.1	-44.5	179.6	-166.8	-169.3	161.6	0	0	112.2	K106 Y107	K106-E110 PolarHBondContact O-N 2.66Å; Y107-E110 PolarHBondContact O-N 3.37Å
111	R	81.5	Confident	83.4	Confident	167 Å²	167	115.3 Å²	115.3	63%	0.63	53%	0.533	S	S	*	.	S	Bend	trans	-133.5	77.7	-179.9	-66.1	-169.2	176.4	-162.6	-1.1	110.7	Y107	Y107-R111 HydrophobicContact CE2-CB 4.47Å; Y107-R111 CarbonylContact O-C 3.56Å; Y107-R111 PolarHBondContact O-N 3.38Å
112	P	82.7	Confident	83.4	Confident	41 Å²	41	115.4 Å²	115.4	27%	0.266	53%	0.533	S	S	.	.			trans	-61.2	146.9	172.8	-8	18.1	0	0	0	110.1	R108 Q116 Q117	R108-P112 VanDerWaalsContact O-CA 3.31Å; R108-P112 WeakPolarHBondContact O-CA 3.42Å; R108-P112 WeakPolarHBondContact O-CB 3.46Å; R108-P112 WeakPolarHBondContact O-CD 3.43Å; R108-P112 VanDerWaalsContact O-CG 3.22Å; R108-P112 WeakPolarHBondContact O-CG 3.32Å; P112-Q116 HydrophobicContact CB-CB 4.04Å; P112-Q117 HydrophobicContact CB-CG 3.93Å; P112-Q117 HydrophobicContact CG-CG 4.18Å; P112-Q117 PolarHBondContact O-NE2 3.22Å
113	K	83.3	Confident	83.3	Confident	119 Å²	119	120.2 Å²	120.2	52%	0.517	55%	0.548	S	S	.	.			trans	-60.6	150.9	172.6	-68.6	-170.1	176.8	-170.6	0	109.5	Q115 Q116 Q117	K113-Q115 VanDerWaalsContact C-N 3.26Å; K113-Q115 HydrophobicContact CB-CG 4.33Å; K113-Q115 PolarHBondContact O-N 3.46Å; K113-Q115 VanDerWaalsContact O-N 3.13Å; K113-Q116 HydrophobicContact CB-CG 4.43Å; K113-Q116 WeakPolarHBondContact O-CA 3.5Å; K113-Q116 VanDerWaalsContact O-CB 3.31Å; K113-Q116 WeakPolarHBondContact O-CB 3.36Å; K113-Q116 PolarHBondContact O-N 3.05Å; K113-Q117 PolarHBondContact O-N 3.35Å; K113-Q117 VanDerWaalsContact O-N 3.1Å
114	I	81	Confident	83.1	Confident	100 Å²	100	121.9 Å²	121.9	51%	0.513	55%	0.553	S	S	.	*	H	α-helix	trans	-50.2	-46.4	-176.4	-62	170.2	0	0	0	111.5	Q116 Q117 F118	I114-Q116 PolarHBondContact O-N 3.44Å; I114-Q117 WeakPolarHBondContact O-CB 3.45Å; I114-Q117 PolarHBondContact O-N 2.86Å; I114-Q117 VanDerWaalsContact O-N 3.12Å; I114-F118 HydrophobicContact CG2-CD2 3.73Å; I114-F118 HydrophobicContact CG2-CE2 3.85Å; I114-F118 VanDerWaalsContact O-CD2 3.24Å; I114-F118 WeakPolarHBondContact O-CD2 3.19Å; I114-F118 PolarHBondContact O-N 3.4Å; I114-F118 VanDerWaalsContact O-N 3.1Å
115	Q	79.4	Confident	83.2	Confident	142 Å²	142	122.8 Å²	122.8	66%	0.664	56%	0.558	S	S	*	*	H	α-helix	trans	-61.8	-26.1	176.9	63.3	179.3	-14.2	0	0	115	K113 S119	K113-Q115 VanDerWaalsContact C-N 3.26Å; K113-Q115 HydrophobicContact CB-CG 4.33Å; K113-Q115 PolarHBondContact O-N 3.46Å; K113-Q115 VanDerWaalsContact O-N 3.13Å; Q115-S119 PolarHBondContact O-N 2.96Å; Q115-S119 VanDerWaalsContact O-N 3.09Å
116	Q	80.9	Confident	83.2	Confident	70 Å²	70	120.7 Å²	120.7	33%	0.327	56%	0.563	S	S	.	*	H	α-helix	trans	-81	-32.4	175.7	-66.6	166.6	-26.4	0	0	111.3	P112 K113 I114 F118 S119	P112-Q116 HydrophobicContact CB-CB 4.04Å; K113-Q116 HydrophobicContact CB-CG 4.43Å; K113-Q116 WeakPolarHBondContact O-CA 3.5Å; K113-Q116 VanDerWaalsContact O-CB 3.31Å; K113-Q116 WeakPolarHBondContact O-CB 3.36Å; K113-Q116 PolarHBondContact O-N 3.05Å; I114-Q116 PolarHBondContact O-N 3.44Å; Q116-F118 VanDerWaalsContact C-N 3.3Å; Q116-S119 PolarHBondContact O-N 3.21Å; Q116-S119 PolarHBondContact O-OG 3.07Å
117	Q	79.6	Confident	83.3	Confident	108 Å²	108	121.7 Å²	121.7	51%	0.505	57%	0.569	S	S	.	*	H	α-helix	trans	-66.4	-36.3	172.3	-58.9	175.4	4.3	0	0	111.2	P112 K113 I114	P112-Q117 HydrophobicContact CB-CG 3.93Å; P112-Q117 HydrophobicContact CG-CG 4.18Å; P112-Q117 PolarHBondContact O-NE2 3.22Å; K113-Q117 PolarHBondContact O-N 3.35Å; K113-Q117 VanDerWaalsContact O-N 3.1Å; I114-Q117 WeakPolarHBondContact O-CB 3.45Å; I114-Q117 PolarHBondContact O-N 2.86Å; I114-Q117 VanDerWaalsContact O-N 3.12Å
118	F	82.6	Confident	83.5	Confident	111 Å²	111	117.4 Å²	117.4	49%	0.487	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.6	6.6	-179.8	-68.3	-70.5	0	0	0	113.8	I114 Q116 D120 L121 K122	I114-F118 HydrophobicContact CG2-CD2 3.73Å; I114-F118 HydrophobicContact CG2-CE2 3.85Å; I114-F118 VanDerWaalsContact O-CD2 3.24Å; I114-F118 WeakPolarHBondContact O-CD2 3.19Å; I114-F118 PolarHBondContact O-N 3.4Å; I114-F118 VanDerWaalsContact O-N 3.1Å; Q116-F118 VanDerWaalsContact C-N 3.3Å; F118-D120 PolarHBondContact O-N 2.84Å; F118-L121 HydrophobicContact CD1-CD1 3.96Å; F118-L121 HydrophobicContact CE1-CD1 4.23Å; F118-L121 PolarHBondContact O-N 3.37Å; F118-K122 VanDerWaalsContact O-CB 3.31Å; F118-K122 WeakPolarHBondContact O-CB 3.38Å; F118-K122 PolarHBondContact O-N 2.82Å
119	S	85.7	Confident	83.9	Confident	44 Å²	44	114.2 Å²	114.2	31%	0.308	55%	0.554	S	S	.	*	H	α-helix	trans	-59.8	-36.3	-178.6	57.1	0	0	0	0	111.9	Q115 Q116 R123	Q115-S119 PolarHBondContact O-N 2.96Å; Q115-S119 VanDerWaalsContact O-N 3.09Å; Q116-S119 PolarHBondContact O-N 3.21Å; Q116-S119 PolarHBondContact O-OG 3.07Å; S119-R123 WeakPolarHBondContact O-CB 3.23Å; S119-R123 PolarHBondContact O-N 3.4Å
120	D	85.4	Confident	84.3	Confident	107 Å²	107	114.1 Å²	114.1	57%	0.572	55%	0.552	S	S	*	*	H	α-helix	trans	-76	-39.7	-175.9	-59.1	-0.9	0	0	0	110.5	F118 R123 K124	F118-D120 PolarHBondContact O-N 2.84Å; D120-R123 PolarHBondContact O-N 3.26Å; D120-K124 PolarHBondContact O-N 2.92Å
121	L	84.8	Confident	84.5	Confident	100 Å²	100	114.5 Å²	114.5	52%	0.524	55%	0.553	S	S	.	*	H	α-helix	trans	-68.8	-37.9	172.7	-66.6	-168.5	0	0	0	111.9	F118 R123 K124 L125	F118-L121 HydrophobicContact CD1-CD1 3.96Å; F118-L121 HydrophobicContact CE1-CD1 4.23Å; F118-L121 PolarHBondContact O-N 3.37Å; L121-R123 VanDerWaalsContact C-N 3.3Å; L121-R123 PolarHBondContact O-N 3.2Å; L121-K124 HydrophobicContact CD2-CD 4.48Å; L121-K124 CarbonylContact O-C 3.59Å; L121-K124 PolarHBondContact O-N 3.3Å; L121-L125 WeakPolarHBondContact O-CB 3.46Å; L121-L125 PolarHBondContact O-N 2.64Å
122	K	86.3	Confident	84.6	Confident	165 Å²	165	111.6 Å²	111.6	72%	0.717	55%	0.547	S	S	*	.	H	α-helix	trans	-64.6	-36.4	174	-171.8	175	-178.2	178.5	0	111.4	F118 L125 A126	F118-K122 VanDerWaalsContact O-CB 3.31Å; F118-K122 WeakPolarHBondContact O-CB 3.38Å; F118-K122 PolarHBondContact O-N 2.82Å; K122-L125 WeakPolarHBondContact O-CB 3.48Å; K122-L125 PolarHBondContact O-N 2.76Å; K122-A126 PolarHBondContact O-N 3.15Å
123	R	87.4	Confident	84.8	Confident	191 Å²	191	115.6 Å²	115.6	72%	0.721	56%	0.557	S	S	*	*	H	α-helix	trans	-68.8	-39.2	173.1	-159.6	-179.2	-63.9	162.9	2.9	111.5	S119 D120 L121 L125 A126	S119-R123 WeakPolarHBondContact O-CB 3.23Å; S119-R123 PolarHBondContact O-N 3.4Å; D120-R123 PolarHBondContact O-N 3.26Å; L121-R123 VanDerWaalsContact C-N 3.3Å; L121-R123 PolarHBondContact O-N 3.2Å; R123-L125 VanDerWaalsContact C-N 3.33Å; R123-A126 WeakPolarHBondContact O-CB 3.39Å; R123-A126 PolarHBondContact O-N 2.98Å
124	K	84.5	Confident	84.9	Confident	158 Å²	158	117 Å²	117	69%	0.687	57%	0.57	S	S	*	*	H	α-helix	trans	-65.2	-32.6	170.9	-90.3	-178.3	174.6	176.7	0	113.4	D120 L121 A126 E127	D120-K124 PolarHBondContact O-N 2.92Å; L121-K124 HydrophobicContact CD2-CD 4.48Å; L121-K124 CarbonylContact O-C 3.59Å; L121-K124 PolarHBondContact O-N 3.3Å; K124-A126 PolarHBondContact O-N 3.36Å; K124-E127 WeakPolarHBondContact O-CB 3.45Å; K124-E127 PolarHBondContact O-N 2.93Å
125	L	84.6	Confident	85	Confident	91 Å²	91	116.2 Å²	116.2	48%	0.476	57%	0.572	S	S	.	*	H	α-helix	trans	-65.2	-24.6	177.4	-163	78.1	0	0	0	111.9	L121 K122 R123 E127 V128 W133	L121-L125 WeakPolarHBondContact O-CB 3.46Å; L121-L125 PolarHBondContact O-N 2.64Å; K122-L125 WeakPolarHBondContact O-CB 3.48Å; K122-L125 PolarHBondContact O-N 2.76Å; R123-L125 VanDerWaalsContact C-N 3.33Å; L125-E127 PolarHBondContact O-N 3.26Å; L125-V128 WeakPolarHBondContact O-CG1 3.08Å; L125-V128 PolarHBondContact O-N 3.41Å; L125-W133 HydrophobicContact CD1-CZ2 4.38Å; L125-W133 HydrophobicContact CD2-CH2 3.78Å; L125-W133 HydrophobicContact CD2-CZ2 3.8Å; L125-W133 HydrophobicContact CG-CH2 4.17Å; L125-W133 HydrophobicContact CG-CZ2 3.8Å
126	A	84.6	Confident	85	Confident	85 Å²	85	114.2 Å²	114.2	70%	0.702	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-16	173.3	0	0	0	0	0	113.4	K122 R123 K124 V128	K122-A126 PolarHBondContact O-N 3.15Å; R123-A126 WeakPolarHBondContact O-CB 3.39Å; R123-A126 PolarHBondContact O-N 2.98Å; K124-A126 PolarHBondContact O-N 3.36Å; A126-V128 VanDerWaalsContact C-N 3.34Å
127	E	89.4	Confident	84.8	Confident	164 Å²	164	116.3 Å²	116.3	77%	0.766	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-22.1	175.4	-162.7	69.8	-162	0	0	112.2	K124 L125 T129	K124-E127 WeakPolarHBondContact O-CB 3.45Å; K124-E127 PolarHBondContact O-N 2.93Å; L125-E127 PolarHBondContact O-N 3.26Å; E127-T129 PolarHBondContact O-N 2.94Å
128	V	88.6	Confident	84.7	Confident	51 Å²	51	119.2 Å²	119.2	31%	0.309	60%	0.599	S	S	.	*	S	Bend	trans	-73.1	129.1	-176.5	99.6	0	0	0	0	109.2	L125 A126 E132 W133	L125-V128 WeakPolarHBondContact O-CG1 3.08Å; L125-V128 PolarHBondContact O-N 3.41Å; A126-V128 VanDerWaalsContact C-N 3.34Å; V128-E132 HydrophobicContact CG2-CB 4.05Å; V128-E132 WeakPolarHBondContact CG2-OE2 3.47Å; V128-W133 VanDerWaalsContact CG1-CD1 3.44Å; V128-W133 HydrophobicContact CG1-CD2 4.16Å; V128-W133 VanDerWaalsContact CG1-CE2 3.47Å; V128-W133 HydrophobicContact CG1-CG 4.14Å; V128-W133 HydrophobicContact CG1-CZ2 4.04Å
129	T	90.1	Very high	83.9	Confident	73 Å²	73	121 Å²	121	45%	0.448	62%	0.618	S	S	.	*			trans	-73.7	156.2	-172.2	60.8	0	0	0	0	111.6	E127 E131 E132 W133	E127-T129 PolarHBondContact O-N 2.94Å; T129-E131 PolarHBondContact O-N 3.06Å; T129-E132 PolarHBondContact O-N 3.23Å; T129-E132 VanDerWaalsContact O-N 3.1Å; T129-W133 VanDerWaalsContact O-CD1 3.26Å; T129-W133 PolarHBondContact O-N 3.26Å
130	E	87.3	Confident	82.2	Confident	158 Å²	158	121.4 Å²	121.4	74%	0.738	63%	0.63	S	S	*	*	H	α-helix	trans	-59.7	-31.5	178.2	-67.3	-174.6	177.6	0	0	112.2	E132 W133 L134	E130-E132 PolarHBondContact O-N 2.93Å; E130-W133 WeakPolarHBondContact O-CB 3.3Å; E130-W133 PolarHBondContact O-N 3.23Å; E130-W133 VanDerWaalsContact O-N 3.17Å; E130-L134 WeakPolarHBondContact O-CD1 3.31Å; E130-L134 PolarHBondContact O-N 3.44Å
131	E	85.3	Confident	80.6	Confident	159 Å²	159	121.2 Å²	121.2	74%	0.743	63%	0.629	S	S	*	*	H	α-helix	trans	-64.3	-39.2	175.6	-66.5	169.6	177.4	0	0	112.3	T129 L134 S135	T129-E131 PolarHBondContact O-N 3.06Å; E131-L134 PolarHBondContact O-N 2.85Å; E131-S135 WeakPolarHBondContact O-CB 3.2Å; E131-S135 PolarHBondContact O-N 2.9Å; E131-S135 VanDerWaalsContact O-N 3.14Å; E131-S135 PolarHBondContact O-OG 3.35Å
132	E	83.8	Confident	79.2	Confident	106 Å²	106	121.5 Å²	121.5	50%	0.495	65%	0.646	S	S	.	*	H	α-helix	trans	-69.9	-33.8	172.3	-72.2	-178.4	152	0	0	111.8	V128 T129 E130 S135 I136	V128-E132 HydrophobicContact CG2-CB 4.05Å; V128-E132 WeakPolarHBondContact CG2-OE2 3.47Å; T129-E132 PolarHBondContact O-N 3.23Å; T129-E132 VanDerWaalsContact O-N 3.1Å; E130-E132 PolarHBondContact O-N 2.93Å; E132-S135 VanDerWaalsContact CA-OG 3.31Å; E132-S135 WeakPolarHBondContact CA-OG 2.93Å; E132-S135 PolarHBondContact O-N 2.84Å; E132-S135 PolarHBondContact O-OG 2.91Å; E132-I136 VanDerWaalsContact O-CG1 3.31Å; E132-I136 WeakPolarHBondContact O-CG1 2.8Å; E132-I136 PolarHBondContact O-N 2.87Å
133	W	86.6	Confident	77.6	Confident	125 Å²	125	124.7 Å²	124.7	47%	0.473	65%	0.653	S	S	.	*	H	α-helix	trans	-63.2	-42.6	171.8	-82	106.1	0	0	0	113.2	L125 V128 T129 E130 S135 I136	L125-W133 HydrophobicContact CD1-CZ2 4.38Å; L125-W133 HydrophobicContact CD2-CH2 3.78Å; L125-W133 HydrophobicContact CD2-CZ2 3.8Å; L125-W133 HydrophobicContact CG-CH2 4.17Å; L125-W133 HydrophobicContact CG-CZ2 3.8Å; V128-W133 VanDerWaalsContact CG1-CD1 3.44Å; V128-W133 HydrophobicContact CG1-CD2 4.16Å; V128-W133 VanDerWaalsContact CG1-CE2 3.47Å; V128-W133 HydrophobicContact CG1-CG 4.14Å; V128-W133 HydrophobicContact CG1-CZ2 4.04Å; T129-W133 VanDerWaalsContact O-CD1 3.26Å; T129-W133 PolarHBondContact O-N 3.26Å; E130-W133 WeakPolarHBondContact O-CB 3.3Å; E130-W133 PolarHBondContact O-N 3.23Å; E130-W133 VanDerWaalsContact O-N 3.17Å; W133-S135 VanDerWaalsContact C-N 3.28Å; W133-S135 PolarHBondContact O-N 3.32Å; W133-I136 HydrophobicContact CD2-CD1 4.3Å; W133-I136 HydrophobicContact CE3-CD1 3.54Å; W133-I136 HydrophobicContact CZ3-CD1 3.92Å; W133-I136 WeakPolarHBondContact O-CG1 3.45Å; W133-I136 PolarHBondContact O-N 3.24Å
134	L	84.2	Confident	75.9	Confident	150 Å²	150	121.5 Å²	121.5	79%	0.785	65%	0.65	S	S	*	*	H	α-helix	trans	-70.2	-25	178.2	-84.7	139.2	0	0	0	112.7	E130 E131	E130-L134 WeakPolarHBondContact O-CD1 3.31Å; E130-L134 PolarHBondContact O-N 3.44Å; E131-L134 PolarHBondContact O-N 2.85Å
135	S	83.7	Confident	74.4	Confident	82 Å²	82	122.1 Å²	122.1	57%	0.573	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	3.6	179.2	56.7	0	0	0	0	114	E131 E132 W133 P137	E131-S135 WeakPolarHBondContact O-CB 3.2Å; E131-S135 PolarHBondContact O-N 2.9Å; E131-S135 VanDerWaalsContact O-N 3.14Å; E131-S135 PolarHBondContact O-OG 3.35Å; E132-S135 VanDerWaalsContact CA-OG 3.31Å; E132-S135 WeakPolarHBondContact CA-OG 2.93Å; E132-S135 PolarHBondContact O-N 2.84Å; E132-S135 PolarHBondContact O-OG 2.91Å; W133-S135 VanDerWaalsContact C-N 3.28Å; W133-S135 PolarHBondContact O-N 3.32Å; S135-P137 WeakPolarHBondContact O-CD 3.46Å; S135-P137 VanDerWaalsContact O-N 3.11Å
136	I	79.1	Confident	72.9	Confident	101 Å²	101	128.8 Å²	128.8	52%	0.518	67%	0.672	S	S	.	*			trans	-60	115.4	168.3	-61.5	-178.2	0	0	0	107.6	E132 W133 E138	E132-I136 VanDerWaalsContact O-CG1 3.31Å; E132-I136 WeakPolarHBondContact O-CG1 2.8Å; E132-I136 PolarHBondContact O-N 2.87Å; W133-I136 HydrophobicContact CD2-CD1 4.3Å; W133-I136 HydrophobicContact CE3-CD1 3.54Å; W133-I136 HydrophobicContact CZ3-CD1 3.92Å; W133-I136 WeakPolarHBondContact O-CG1 3.45Å; W133-I136 PolarHBondContact O-N 3.24Å; I136-E138 PolarHBondContact O-N 2.91Å
137	P	76.9	Confident	71.6	Confident	113 Å²	113	133.1 Å²	133.1	73%	0.734	68%	0.677	S	S	*	*			trans	-64.9	135.2	178.7	-18.2	32.1	0	0	0	109.6	S135	S135-P137 WeakPolarHBondContact O-CD 3.46Å; S135-P137 VanDerWaalsContact O-N 3.11Å
138	E	78.3	Confident	69.9	Low	170 Å²	170	136 Å²	136	79%	0.794	68%	0.681	S	S	*	*			trans	-61.6	159.4	164.3	69.1	-103.3	-169.5	0	0	110.1	I136 G140	I136-E138 PolarHBondContact O-N 2.91Å; E138-G140 PolarHBondContact O-N 3.5Å
139	V	64.4	Low	67.8	Low	147 Å²	147	140.6 Å²	140.6	89%	0.891	70%	0.704	S	S	*	*			trans	-67.8	72.2	170.4	-71.8	0	0	0	0	110	D141	V139-D141 PolarHBondContact O-N 3.27Å
140	G	50.9	Low	65.9	Low	54 Å²	54	143 Å²	143	56%	0.557	72%	0.721	S	S	*	*			trans	-51.9	122.6	174.4	0	0	0	0	0	109.3	E138 A142	E138-G140 PolarHBondContact O-N 3.5Å; G140-A142 VanDerWaalsContact C-N 3.31Å; G140-A142 PolarHBondContact O-N 3.41Å
141	D	50.9	Low	63.9	Low	102 Å²	102	146.5 Å²	146.5	55%	0.545	73%	0.728	S	S	.	*			trans	-27.2	77.7	-169.6	-78	-42.4	0	0	0	115.4	V139 R143 K145	V139-D141 PolarHBondContact O-N 3.27Å; D141-R143 PolarHBondContact O-N 3.04Å; D141-K145 WeakPolarHBondContact OD2-CD 3.44Å; D141-K145 IonicContact OD2-NZ 2.7Å; D141-K145 PolarHBondContact OD2-NZ 2.87Å
142	A	57.1	Low	62.2	Low	107 Å²	107	150 Å²	150	88%	0.884	74%	0.735	S	S	*	*	S	Bend	trans	-76.7	2.6	165.5	0	0	0	0	0	111.6	G140	G140-A142 VanDerWaalsContact C-N 3.31Å; G140-A142 PolarHBondContact O-N 3.41Å
143	R	52.8	Low	60.7	Low	232 Å²	232	152.7 Å²	152.7	88%	0.875	75%	0.748	S	S	*	*	S	Bend	trans	-144	87.6	176.9	-128.2	177.6	172.8	-165.9	-3	112	D141	D141-R143 PolarHBondContact O-N 3.04Å
144	N	51.7	Low	58.9	Low	123 Å²	123	156.2 Å²	156.2	66%	0.658	77%	0.767	S	S	*	*			trans	22.6	96.4	157.8	-81.2	-27.7	0	0	0	118.8	R146	N144-R146 PolarHBondContact O-N 3.33Å
145	K	51.6	Low	57.5	Low	171 Å²	171	156.7 Å²	156.7	74%	0.743	77%	0.769	S	S	*	*	G	3₁₀ helix	trans	-58.4	-5.8	160.7	-132.5	172.4	-164	147.2	0	114.9	D141 Q147	D141-K145 WeakPolarHBondContact OD2-CD 3.44Å; D141-K145 IonicContact OD2-NZ 2.7Å; D141-K145 PolarHBondContact OD2-NZ 2.87Å; K145-Q147 VanDerWaalsContact C-N 3.34Å; K145-Q147 PolarHBondContact O-N 3.38Å
146	R	53	Low	56.5	Low	231 Å²	231	158.1 Å²	158.1	87%	0.872	78%	0.775	S	S	*	*	G	3₁₀ helix	trans	-74.6	-13.9	-179.1	-121.7	178.9	179	-177.8	-1.2	114.7	N144	N144-R146 PolarHBondContact O-N 3.33Å
147	Q	57.1	Low	55.8	Low	176 Å²	176	159.2 Å²	159.2	82%	0.822	79%	0.789	S	S	*	*	G	3₁₀ helix	trans	-93.8	-3.5	-177.3	-85.1	-177.2	-10.8	0	0	115	K145	K145-Q147 VanDerWaalsContact C-N 3.34Å; K145-Q147 PolarHBondContact O-N 3.38Å
148	R	54.1	Low	55.1	Low	224 Å²	224	157.7 Å²	157.7	85%	0.845	78%	0.777	S	S	*	*	S	Bend	trans	-100.5	-2.4	-167.3	-132.8	175.6	169.3	-174.4	-4.8	116.2
149	N	45.5	Very low	54.3	Low	148 Å²	148	153.9 Å²	153.9	79%	0.791	77%	0.767	S	S	*	*			trans	-155.5	94.4	170.7	-88.2	-26.5	0	0	0	110.9	R151	N149-R151 PolarHBondContact O-N 3.03Å
150	P	49.4	Very low	54	Low	123 Å²	123	153.3 Å²	153.3	80%	0.799	76%	0.759	S	S	*	*			trans	-67.7	115.3	158.6	28.6	-27.8	0	0	0	106.9	Y152	P150-Y152 PolarHBondContact O-N 3.28Å
151	R	46.1	Very low	54.4	Low	233 Å²	233	154.8 Å²	154.8	88%	0.879	76%	0.761	S	S	*	*			trans	-52.3	132.7	166.1	-85.2	-178.1	169.9	171	-3	107.5	N149 E153	N149-R151 PolarHBondContact O-N 3.03Å; R151-E153 PolarHBondContact O-N 3.46Å
152	Y	50.1	Low	54.5	Low	231 Å²	231	155.7 Å²	155.7	91%	0.906	76%	0.76	S	S	*	*			trans	-52.8	101	166.4	-125.8	-93.9	0	0	0	108.1	P150 K154	P150-Y152 PolarHBondContact O-N 3.28Å; Y152-K154 PolarHBondContact O-N 2.73Å
153	E	50.4	Low	54.5	Low	163 Å²	163	157 Å²	157	76%	0.762	75%	0.746	S	S	*	*			trans	-71.8	108.3	169.5	-75.3	-172.5	165.2	0	0	107	R151 L155	R151-E153 PolarHBondContact O-N 3.46Å; E153-L155 VanDerWaalsContact C-N 3.29Å; E153-L155 PolarHBondContact O-N 3.03Å
154	K	50.3	Low	54.6	Low	200 Å²	200	149.1 Å²	149.1	87%	0.87	73%	0.73	S	S	*	*			trans	-61.6	99.7	157.4	-101.1	178.8	173.3	177.8	0	106.8	Y152 T156	Y152-K154 PolarHBondContact O-N 2.73Å; K154-T156 PolarHBondContact O-N 2.96Å
155	L	55	Low	54.5	Low	159 Å²	159	150.6 Å²	150.6	83%	0.832	73%	0.731	S	S	*	*			trans	-65	100.3	167.3	-79.9	144.9	0	0	0	108.3	E153	E153-L155 VanDerWaalsContact C-N 3.29Å; E153-L155 PolarHBondContact O-N 3.03Å
156	T	62.6	Low	54.3	Low	112 Å²	112	147.5 Å²	147.5	69%	0.687	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-79.9	135.3	157.3	50.4	0	0	0	0	107.9	K154 V158	K154-T156 PolarHBondContact O-N 2.96Å; T156-V158 PolarHBondContact O-N 3.33Å
157	P	63.9	Low	54.2	Low	125 Å²	125	144.3 Å²	144.3	81%	0.812	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-54.6	127.9	172.9	-21.6	31.5	0	0	0	110
158	V	62.3	Low	54	Low	81 Å²	81	144.4 Å²	144.4	49%	0.491	72%	0.719	S	S	.	*	P	Polyproline II helix	trans	-68.8	134.8	177	-179.5	0	0	0	0	108.3	T156 F162	T156-V158 PolarHBondContact O-N 3.33Å; V158-F162 HydrophobicContact CG1-CB 3.56Å; V158-F162 HydrophobicContact CG1-CD1 4.38Å; V158-F162 HydrophobicContact CG1-CG 3.93Å
159	P	61.4	Low	53.7	Low	90 Å²	90	136.8 Å²	136.8	58%	0.584	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-68.9	141.5	179.6	-11.1	25	0	0	0	111.1	S161 F162	P159-S161 PolarHBondContact O-N 2.95Å; P159-F162 PolarHBondContact O-N 2.64Å
160	D	58.5	Low	54	Low	135 Å²	135	133.5 Å²	133.5	72%	0.722	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.4	-21.4	-176	-67.3	-19.6	0	0	0	114.8	F162 F163 A164	D160-F162 PolarHBondContact O-N 3.32Å; D160-F162 VanDerWaalsContact O-N 3.14Å; D160-F163 PolarHBondContact O-N 3.4Å; D160-F163 VanDerWaalsContact O-N 3.1Å; D160-A164 PolarHBondContact O-N 3.06Å
161	S	58.9	Low	53.5	Low	85 Å²	85	135.3 Å²	135.3	59%	0.594	70%	0.699	S	S	*	*	H	α-helix	trans	-56.7	-22.7	171.7	62.5	0	0	0	0	115	P159	P159-S161 PolarHBondContact O-N 2.95Å
162	F	53.8	Low	53.3	Low	121 Å²	121	131.6 Å²	131.6	53%	0.531	70%	0.696	S	S	.	*	H	α-helix	trans	-73.7	-34	176.9	-161.5	-92.9	0	0	0	111.8	V158 P159 D160 H166	V158-F162 HydrophobicContact CG1-CB 3.56Å; V158-F162 HydrophobicContact CG1-CD1 4.38Å; V158-F162 HydrophobicContact CG1-CG 3.93Å; P159-F162 PolarHBondContact O-N 2.64Å; D160-F162 PolarHBondContact O-N 3.32Å; D160-F162 VanDerWaalsContact O-N 3.14Å; F162-H166 AromaticContact CE1-CD2 3.8Å
163	F	56	Low	52.7	Low	135 Å²	135	129.4 Å²	129.4	59%	0.592	69%	0.694	S	S	*	*	H	α-helix	trans	-73	-35.3	177	-64.4	-68.7	0	0	0	112.3	D160 K165 H166 L167	D160-F163 PolarHBondContact O-N 3.4Å; D160-F163 VanDerWaalsContact O-N 3.1Å; F163-K165 VanDerWaalsContact C-N 3.28Å; F163-K165 PolarHBondContact O-N 2.92Å; F163-H166 PolarHBondContact O-N 3.32Å; F163-L167 PolarHBondContact O-N 3.01Å
164	A	55.3	Low	52.1	Low	66 Å²	66	128.4 Å²	128.4	55%	0.545	70%	0.699	S	S	.	*	H	α-helix	trans	-62.8	-32.7	177.9	0	0	0	0	0	113.1	D160	D160-A164 PolarHBondContact O-N 3.06Å
165	K	48.8	Very low	51.4	Low	153 Å²	153	124.3 Å²	124.3	67%	0.665	70%	0.696	S	S	*	*	H	α-helix	trans	-75.1	-39.5	177.3	-96.4	-177.3	173.5	179.2	0	113.3	F163 L167 Q168 S169	F163-K165 VanDerWaalsContact C-N 3.28Å; F163-K165 PolarHBondContact O-N 2.92Å; K165-L167 PolarHBondContact O-N 2.97Å; K165-Q168 PolarHBondContact O-N 3.37Å; K165-S169 PolarHBondContact O-N 3.29Å; K165-S169 PolarHBondContact O-OG 3.29Å
166	H	46.8	Very low	50.4	Low	106 Å²	106	123 Å²	123	49%	0.491	69%	0.694	S	S	.	*	H	α-helix	trans	-70.3	-21.1	178.8	-101.7	-71.2	0	0	0	113.6	F162 F163 Q168	F162-H166 AromaticContact CE1-CD2 3.8Å; F163-H166 PolarHBondContact O-N 3.32Å; H166-Q168 VanDerWaalsContact C-N 3.33Å
167	L	51.5	Low	49	Very low	164 Å²	164	121.7 Å²	121.7	86%	0.859	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-25	172.8	-139.4	84.3	0	0	0	113	F163 K165	F163-L167 PolarHBondContact O-N 3.01Å; K165-L167 PolarHBondContact O-N 2.97Å
168	Q	52.6	Low	47.9	Very low	179 Å²	179	120.5 Å²	120.5	84%	0.836	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-32	-177.8	-98.9	178.7	-7.1	0	0	113.8	K165 H166	K165-Q168 PolarHBondContact O-N 3.37Å; H166-Q168 VanDerWaalsContact C-N 3.33Å
169	S	48.4	Very low	47.2	Very low	63 Å²	63	126.7 Å²	126.7	44%	0.441	69%	0.69	S	S	.	*	S	Bend	trans	-106.1	88.9	176.3	56.7	0	0	0	0	109.2	K165 E171	K165-S169 PolarHBondContact O-N 3.29Å; K165-S169 PolarHBondContact O-OG 3.29Å; S169-E171 PolarHBondContact O-N 3.33Å
170	G	51.9	Low	46.3	Very low	80 Å²	80	130.2 Å²	130.2	83%	0.825	70%	0.698	S	S	*	*			trans	-67.3	52.2	176.8	0	0	0	0	0	114.4
171	E	38	Very low	45.6	Very low	161 Å²	161	129.9 Å²	129.9	75%	0.752	70%	0.701	S	S	*	*			trans	-97.6	105.9	167.3	-82.5	-173.6	157.2	0	0	109.3	S169	S169-E171 PolarHBondContact O-N 3.33Å
172	N	42.3	Very low	44.8	Very low	155 Å²	155	133.2 Å²	133.2	83%	0.829	71%	0.707	S	S	*	*			trans	-92.6	97	165.4	-77.2	-14.8	0	0	0	109
173	H	38.1	Very low	44	Very low	185 Å²	185	136.3 Å²	136.3	86%	0.856	72%	0.721	S	S	*	*			trans	-139.7	88.3	155.9	-104.2	-67.8	0	0	0	110.1
174	T	37.7	Very low	43	Very low	142 Å²	142	133.8 Å²	133.8	87%	0.871	73%	0.733	S	S	*	*			trans	-161.2	82	144.7	47.4	0	0	0	0	109.3
175	S	35.1	Very low	41.9	Very low	113 Å²	113	134.1 Å²	134.1	79%	0.79	74%	0.743	S	S	*	*			trans	-118.7	102.1	146.2	61.7	0	0	0	0	106.8	D177	S175-D177 PolarHBondContact O-N 3.36Å
176	V	34.4	Very low	41	Very low	133 Å²	133	135.1 Å²	135.1	81%	0.806	76%	0.755	S	S	*	*			trans	-73.7	113.8	161	-177.4	0	0	0	0	105.2	P178	V176-P178 WeakPolarHBondContact O-CD 3.5Å
177	D	34.1	Very low	40.2	Very low	83 Å²	83	137.4 Å²	137.4	44%	0.444	77%	0.77	S	S	.	*			trans	-65.4	121.1	-176.3	-171.3	-9.1	0	0	0	110.8	S175 R179 Q180	S175-D177 PolarHBondContact O-N 3.36Å; D177-R179 PolarHBondContact O-N 3.21Å; D177-R179 VanDerWaalsContact O-N 3.08Å; D177-R179 WeakPolarHBondContact OD1-CB 3.36Å; D177-R179 PolarHBondContact OD1-N 3.26Å; D177-Q180 PolarHBondContact O-N 3.43Å
178	P	40.1	Very low	39	Very low	100 Å²	100	135.7 Å²	135.7	65%	0.649	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	-10.2	175.8	-20.9	32.8	0	0	0	114.4	V176 T181	V176-P178 WeakPolarHBondContact O-CD 3.5Å; P178-T181 PolarHBondContact O-OG1 3.08Å; P178-T181 VanDerWaalsContact O-OG1 3.07Å
179	R	47.3	Very low	38.3	Very low	211 Å²	211	132.4 Å²	132.4	80%	0.796	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-14.4	177.6	-65.4	179.7	100.3	120.2	-1.7	114.1	D177 T181	D177-R179 PolarHBondContact O-N 3.21Å; D177-R179 VanDerWaalsContact O-N 3.08Å; D177-R179 WeakPolarHBondContact OD1-CB 3.36Å; D177-R179 PolarHBondContact OD1-N 3.26Å; R179-T181 VanDerWaalsContact C-N 3.35Å
180	Q	43	Very low	37.2	Very low	164 Å²	164	139.4 Å²	139.4	77%	0.766	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-11.1	177.1	-101.6	-177.5	-0.7	0	0	114.2	D177	D177-Q180 PolarHBondContact O-N 3.43Å
181	T	42.7	Very low	36.5	Very low	128 Å²	128	141.2 Å²	141.2	79%	0.785	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-13.3	177.2	37.5	0	0	0	0	114.5	P178 R179	P178-T181 PolarHBondContact O-OG1 3.08Å; P178-T181 VanDerWaalsContact O-OG1 3.07Å; R179-T181 VanDerWaalsContact C-N 3.35Å
182	Q	42.9	Very low	36	Very low	155 Å²	155	137.1 Å²	137.1	72%	0.724	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	-19.1	-168.3	-154	165.7	9.2	0	0	114.9
183	F	37.7	Very low	35.3	Very low	187 Å²	187	133 Å²	133	82%	0.82	77%	0.771	S	S	*	*			trans	-135.4	83.4	177.5	-80.9	-86.5	0	0	0	111.2	G185	F183-G185 PolarHBondContact O-N 3.5Å
184	G	33.5	Very low	34.8	Very low	81 Å²	81	131.9 Å²	131.9	84%	0.835	77%	0.771	S	S	*	*			trans	-79.5	111.1	166.8	0	0	0	0	0	110.7
185	G	33.4	Very low	34.4	Very low	74 Å²	74	132.1 Å²	132.1	76%	0.763	77%	0.767	S	S	*	*			trans	81.7	89	148.9	0	0	0	0	0	117.5	F183	F183-G185 PolarHBondContact O-N 3.5Å
186	L	29.7	Very low	34.1	Very low	174 Å²	174	132.6 Å²	132.6	91%	0.911	77%	0.765	S	S	*	*			trans	-121.8	110.3	148.9	-128.5	102.8	0	0	0	109
187	N	29.8	Very low	34.3	Very low	153 Å²	153	131.2 Å²	131.2	82%	0.818	76%	0.759	S	S	*	*			trans	-84.7	139.9	169	-106.5	-13.7	0	0	0	109.5
188	T	26.5	Very low	34	Very low	129 Å²	129	137.1 Å²	137.1	79%	0.791	78%	0.777	S	S	*	*			trans	152.4	160.2	142.3	49	0	0	0	0	109.8
189	P	36.8	Very low	34	Very low	110 Å²	110	137.7 Å²	137.7	71%	0.714	78%	0.78	S	S	*	*			cis	-140.6	144.7	-48.7	37.1	-19.9	0	0	0	115
190	Y	26.7	Very low	33.1	Very low	209 Å²	209	131.6 Å²	131.6	82%	0.82	78%	0.784	S	S	*	*			trans	60.6	163.3	148.2	-106.5	-112.8	0	0	0	120.7
191	P	36.1	Very low	32.4	Very low	119 Å²	119	127.3 Å²	127.3	77%	0.773	78%	0.783	S	S	*	*			cis	-143	161.3	20.5	40.3	-18.6	0	0	0	121.3
192	G	28.4	Very low	31.7	Very low	74 Å²	74	130.6 Å²	130.6	76%	0.763	79%	0.792	S	S	*	*			trans	90.7	133.8	153	0	0	0	0	0	117.1
193	G	26.9	Very low	31.2	Very low	68 Å²	68	129.5 Å²	129.5	70%	0.701	80%	0.796	S	S	*	*			cis	-177.4	166	7.9	0	0	0	0	0	113.1
194	L	27.3	Very low	31.4	Very low	163 Å²	163	126.9 Å²	126.9	85%	0.853	80%	0.797	S	S	*	*			trans	38.4	113.8	157.6	-72.3	97.3	0	0	0	120.7
195	N	29.1	Very low	31.3	Very low	146 Å²	146	126.6 Å²	126.6	78%	0.781	80%	0.795	S	S	*	*				50.2	112.8	76.8	-99.9	8.8	0	0	0	114.6
196	T	30.7	Very low	31.6	Very low	123 Å²	123	131.5 Å²	131.5	76%	0.755	80%	0.803	S	S	*	*				172.4	177.5	85	43.4	0	0	0	0	109.5
197	P	38.2	Very low	31.8	Very low	104 Å²	104	132.4 Å²	132.4	68%	0.675	80%	0.804	S	S	*	*			cis	-141.4	166.8	-44.7	38	-20.7	0	0	0	115.6
198	Y	28.2	Very low	32.3	Very low	207 Å²	207	131.6 Å²	131.6	81%	0.812	81%	0.805	S	S	*	*			trans	85.3	156.3	145.3	-111.6	-116.5	0	0	0	121.4
199	P	39.3	Very low	33.4	Very low	112 Å²	112	131.3 Å²	131.3	73%	0.727	81%	0.806	S	S	*	*			cis	-127.9	155.5	-13.9	4.9	20.6	0	0	0	117
200	G	28.4	Very low	33.3	Very low	84 Å²	84	129.6 Å²	129.6	87%	0.866	81%	0.808	S	S	*	*			trans	114.9	114.5	142.8	0	0	0	0	0	116
201	G	27.9	Very low	34.2	Very low	73 Å²	73	126.4 Å²	126.4	75%	0.753	81%	0.81	S	S	*	*			cis	-172.3	145.5	-2.1	0	0	0	0	0	110.7
202	M	29.3	Very low	35	Very low	198 Å²	198	124.6 Å²	124.6	98%	0.975	81%	0.813	S	S	*	*			trans	173.2	110.7	135.9	-93.7	-179.3	175.4	0	0	107.3
203	T	30.6	Very low	36	Very low	132 Å²	132	130.3 Å²	130.3	81%	0.81	82%	0.82	S	S	*	*			trans	-80.6	158.6	178.8	37.3	0	0	0	0	112.5
204	P	43.2	Very low	37.5	Very low	131 Å²	131	133.8 Å²	133.8	85%	0.851	82%	0.822	S	S	*	*			trans	-102.2	142.7	-160.2	13.1	8.6	0	0	0	113.2
205	G	30.7	Very low	39.1	Very low	76 Å²	76	129.4 Å²	129.4	78%	0.784	80%	0.799	S	S	*	*			trans	-120.9	108.8	172.9	0	0	0	0	0	112.1
206	L	39	Very low	41	Very low	177 Å²	177	129.2 Å²	129.2	93%	0.927	80%	0.796	S	S	*	*			trans	17	105.6	146.3	-133.8	78.3	0	0	0	118.6
207	M	35	Very low	43	Very low	192 Å²	192	132.6 Å²	132.6	95%	0.946	80%	0.795	S	S	*	*			trans	-143.5	134.6	141.7	-73.7	-150.3	116.3	0	0	110.8
208	T	39.8	Very low	44.6	Very low	136 Å²	136	134.2 Å²	134.2	83%	0.834	79%	0.791	S	S	*	*			trans	-71.2	171.2	-177.7	13.7	0	0	0	0	113.3
209	P	49.8	Very low	47	Very low	124 Å²	124	128.7 Å²	128.7	81%	0.805	78%	0.775	S	S	*	*			trans	-88	136.2	-145.1	33.9	-35.4	0	0	0	115.2
210	G	35.1	Very low	49	Very low	73 Å²	73	125.2 Å²	125.2	75%	0.753	76%	0.759	S	S	*	*			trans	-103.5	100.1	159.9	0	0	0	0	0	110.1
211	T	46.2	Very low	51.7	Low	143 Å²	143	126.6 Å²	126.6	88%	0.877	74%	0.743	S	S	*	*			trans	2.3	124.1	157.5	55.4	0	0	0	0	118.9
212	G	51.5	Low	54.2	Low	81 Å²	81	125.8 Å²	125.8	84%	0.835	73%	0.729	S	S	*	*			trans	145.6	-5.1	134.1	0	0	0	0	0	121.4
213	E	50.1	Low	56.8	Low	194 Å²	194	125.1 Å²	125.1	91%	0.907	72%	0.715	S	S	*	*			trans	-143.5	108.2	178.9	-153.4	171.4	-175.4	0	0	113.4	D215	E213-D215 PolarHBondContact O-N 3.43Å
214	L	58	Low	59.5	Low	141 Å²	141	123.9 Å²	123.9	74%	0.738	70%	0.704	S	S	*	*			trans	-84.3	104.6	171.4	-175.9	78.2	0	0	0	108.7	M216	L214-M216 HydrophobicContact CD2-CG 4.24Å; L214-M216 PolarHBondContact O-N 3.22Å
215	D	60.7	Low	61.7	Low	71 Å²	71	121.7 Å²	121.7	38%	0.38	69%	0.688	S	S	.	*			trans	-70.3	89.7	176.2	-173.6	-3.3	0	0	0	111	E213 R217 K218	E213-D215 PolarHBondContact O-N 3.43Å; D215-R217 PolarHBondContact O-N 3.49Å; D215-R217 VanDerWaalsContact O-N 3.13Å; D215-R217 WeakPolarHBondContact OD1-CB 3.24Å; D215-R217 PolarHBondContact OD1-N 3.08Å; D215-R217 VanDerWaalsContact OD1-N 3.12Å; D215-K218 HydrophobicContact CB-CD 4.3Å; D215-K218 PolarHBondContact O-N 3.14Å; D215-K218 VanDerWaalsContact O-N 3.16Å; D215-K218 VanDerWaalsContact OD2-CD 3.24Å; D215-K218 WeakPolarHBondContact OD2-CD 3.22Å; D215-K218 WeakPolarHBondContact OD2-CE 3.27Å; D215-K218 VanDerWaalsContact OD2-CG 3.31Å; D215-K218 WeakPolarHBondContact OD2-CG 3.4Å; D215-K218 IonicContact OD2-NZ 3.91Å
216	M	69.7	Low	64.4	Low	142 Å²	142	122.2 Å²	122.2	70%	0.7	67%	0.673	S	S	*	*	H	α-helix	trans	-65.1	-11.7	179.8	-64.9	-143.5	-70.1	0	0	113.5	L214 I219 G220	L214-M216 HydrophobicContact CD2-CG 4.24Å; L214-M216 PolarHBondContact O-N 3.22Å; M216-I219 WeakPolarHBondContact O-CG2 3.24Å; M216-G220 PolarHBondContact O-N 2.79Å
217	R	73.4	Confident	66.7	Low	194 Å²	194	119.4 Å²	119.4	73%	0.732	66%	0.656	S	S	*	*	H	α-helix	trans	-76.2	-39.3	173.3	-63.3	-178.4	169.9	-178	-1.9	111.1	D215 G220 Q221	D215-R217 PolarHBondContact O-N 3.49Å; D215-R217 VanDerWaalsContact O-N 3.13Å; D215-R217 WeakPolarHBondContact OD1-CB 3.24Å; D215-R217 PolarHBondContact OD1-N 3.08Å; D215-R217 VanDerWaalsContact OD1-N 3.12Å; R217-G220 PolarHBondContact O-N 3.22Å; R217-Q221 VanDerWaalsContact O-CB 3.32Å; R217-Q221 WeakPolarHBondContact O-CB 3.47Å; R217-Q221 WeakPolarHBondContact O-CG 3.2Å; R217-Q221 PolarHBondContact O-N 3.28Å
218	K	70.9	Confident	69.3	Low	138 Å²	138	115 Å²	115	60%	0.6	64%	0.637	S	S	*	*	H	α-helix	trans	-66.4	-38.6	178.7	-77.7	176.2	-175.1	168.4	0	112.6	D215 A222	D215-K218 HydrophobicContact CB-CD 4.3Å; D215-K218 PolarHBondContact O-N 3.14Å; D215-K218 VanDerWaalsContact O-N 3.16Å; D215-K218 VanDerWaalsContact OD2-CD 3.24Å; D215-K218 WeakPolarHBondContact OD2-CD 3.22Å; D215-K218 WeakPolarHBondContact OD2-CE 3.27Å; D215-K218 VanDerWaalsContact OD2-CG 3.31Å; D215-K218 WeakPolarHBondContact OD2-CG 3.4Å; D215-K218 IonicContact OD2-NZ 3.91Å; K218-A222 WeakPolarHBondContact O-CB 3.43Å; K218-A222 PolarHBondContact O-N 3.21Å
219	I	78.3	Confident	71.5	Confident	91 Å²	91	113.1 Å²	113.1	47%	0.467	62%	0.619	S	S	.	*	H	α-helix	trans	-69	-36.4	175.2	-161.9	169.7	0	0	0	111.8	M216 R223	M216-I219 WeakPolarHBondContact O-CG2 3.24Å; I219-R223 WeakPolarHBondContact O-CB 3.4Å; I219-R223 WeakPolarHBondContact O-CG 2.99Å; I219-R223 PolarHBondContact O-N 2.86Å; I219-R223 VanDerWaalsContact O-N 3.09Å
220	G	81.7	Confident	73.3	Confident	38 Å²	38	115.3 Å²	115.3	39%	0.392	61%	0.612	S	S	.	*	H	α-helix	trans	-67.8	-44.6	174.1	0	0	0	0	0	112.8	M216 R217 R223 N224	M216-G220 PolarHBondContact O-N 2.79Å; R217-G220 PolarHBondContact O-N 3.22Å; G220-R223 PolarHBondContact O-N 3.41Å; G220-N224 WeakPolarHBondContact O-CB 3.14Å; G220-N224 PolarHBondContact O-N 2.85Å
221	Q	84.7	Confident	75.8	Confident	114 Å²	114	116.6 Å²	116.6	53%	0.533	60%	0.6	S	S	.	*	H	α-helix	trans	-64.3	-43.8	176.3	-73.9	170.3	-5.8	0	0	111.5	R217 R223 N224 T225	R217-Q221 VanDerWaalsContact O-CB 3.32Å; R217-Q221 WeakPolarHBondContact O-CB 3.47Å; R217-Q221 WeakPolarHBondContact O-CG 3.2Å; R217-Q221 PolarHBondContact O-N 3.28Å; Q221-R223 VanDerWaalsContact C-N 3.34Å; Q221-R223 PolarHBondContact O-N 3.31Å; Q221-N224 PolarHBondContact O-N 3.38Å; Q221-T225 WeakPolarHBondContact O-CG2 3.39Å; Q221-T225 PolarHBondContact O-N 2.82Å; Q221-T225 PolarHBondContact O-OG1 3.4Å; Q221-T225 VanDerWaalsContact O-OG1 3.09Å
222	A	80.4	Confident	77.6	Confident	56 Å²	56	112.1 Å²	112.1	46%	0.463	58%	0.575	S	S	.	*	H	α-helix	trans	-63	-39.6	177.2	0	0	0	0	0	112.2	K218 T225 L226	K218-A222 WeakPolarHBondContact O-CB 3.43Å; K218-A222 PolarHBondContact O-N 3.21Å; A222-T225 WeakPolarHBondContact CA-OG1 3.29Å; A222-T225 PolarHBondContact O-OG1 2.91Å; A222-L226 VanDerWaalsContact O-CB 3.3Å; A222-L226 WeakPolarHBondContact O-CB 3.32Å; A222-L226 PolarHBondContact O-N 3.31Å
223	R	84.4	Confident	79.2	Confident	184 Å²	184	113.9 Å²	113.9	69%	0.694	56%	0.561	S	S	*	*	H	α-helix	trans	-67	-39.8	172.7	-81.4	-178.8	165.8	164.4	-2.8	112.3	I219 G220 Q221 L226 M227	I219-R223 WeakPolarHBondContact O-CB 3.4Å; I219-R223 WeakPolarHBondContact O-CG 2.99Å; I219-R223 PolarHBondContact O-N 2.86Å; I219-R223 VanDerWaalsContact O-N 3.09Å; G220-R223 PolarHBondContact O-N 3.41Å; Q221-R223 VanDerWaalsContact C-N 3.34Å; Q221-R223 PolarHBondContact O-N 3.31Å; R223-L226 PolarHBondContact O-N 3.27Å; R223-M227 WeakPolarHBondContact O-CB 3.27Å; R223-M227 PolarHBondContact O-N 3.16Å
224	N	87.7	Confident	80.8	Confident	106 Å²	106	109.2 Å²	109.2	57%	0.567	55%	0.546	S	S	*	.	H	α-helix	trans	-65.8	-44.3	177.9	-160.8	-1.9	0	0	0	111.1	G220 Q221 L226 M227 D228	G220-N224 WeakPolarHBondContact O-CB 3.14Å; G220-N224 PolarHBondContact O-N 2.85Å; Q221-N224 PolarHBondContact O-N 3.38Å; N224-L226 VanDerWaalsContact C-N 3.31Å; N224-L226 PolarHBondContact O-N 3.3Å; N224-M227 WeakPolarHBondContact O-CB 3.49Å; N224-M227 PolarHBondContact O-N 3.14Å; N224-D228 WeakPolarHBondContact O-CB 3.45Å; N224-D228 PolarHBondContact O-N 2.56Å
225	T	88.3	Confident	81.9	Confident	85 Å²	85	104.2 Å²	104.2	52%	0.521	52%	0.523	S	S	.	.	H	α-helix	trans	-65.3	-33.9	174.2	52.7	0	0	0	0	112.7	Q221 A222 M229	Q221-T225 WeakPolarHBondContact O-CG2 3.39Å; Q221-T225 PolarHBondContact O-N 2.82Å; Q221-T225 PolarHBondContact O-OG1 3.4Å; Q221-T225 VanDerWaalsContact O-OG1 3.09Å; A222-T225 WeakPolarHBondContact CA-OG1 3.29Å; A222-T225 PolarHBondContact O-OG1 2.91Å; T225-M229 VanDerWaalsContact O-CB 3.32Å; T225-M229 WeakPolarHBondContact O-CB 3.4Å; T225-M229 PolarHBondContact O-N 3.43Å
226	L	87.3	Confident	82.9	Confident	87 Å²	87	107.5 Å²	107.5	46%	0.455	54%	0.541	S	S	.	.	H	α-helix	trans	-68.3	-39.2	174.1	-178.2	65.7	0	0	0	111.3	A222 R223 N224 M229 R230	A222-L226 VanDerWaalsContact O-CB 3.3Å; A222-L226 WeakPolarHBondContact O-CB 3.32Å; A222-L226 PolarHBondContact O-N 3.31Å; R223-L226 PolarHBondContact O-N 3.27Å; N224-L226 VanDerWaalsContact C-N 3.31Å; N224-L226 PolarHBondContact O-N 3.3Å; L226-M229 HydrophobicContact CD1-CE 4.23Å; L226-R230 WeakPolarHBondContact O-CG 3.43Å; L226-R230 PolarHBondContact O-N 3.48Å
227	M	87.6	Confident	83.5	Confident	117 Å²	117	105.6 Å²	105.6	58%	0.576	54%	0.541	S	S	*	.	H	α-helix	trans	-64.4	-45.9	173.7	-176.2	176.5	173.7	0	0	110.8	R223 N224 M229 R230 L231	R223-M227 WeakPolarHBondContact O-CB 3.27Å; R223-M227 PolarHBondContact O-N 3.16Å; N224-M227 WeakPolarHBondContact O-CB 3.49Å; N224-M227 PolarHBondContact O-N 3.14Å; M227-M229 VanDerWaalsContact C-N 3.32Å; M227-M229 PolarHBondContact O-N 2.93Å; M227-R230 PolarHBondContact O-N 2.58Å; M227-R230 VanDerWaalsContact O-N 3.12Å; M227-L231 HydrophobicContact CE-CD1 4.27Å; M227-L231 HydrophobicContact CG-CD1 4.2Å; M227-L231 HydrophobicContact CG-CG 4.5Å; M227-L231 WeakPolarHBondContact O-CG 3.18Å; M227-L231 PolarHBondContact O-N 2.91Å
228	D	89.1	Confident	83.9	Confident	101 Å²	101	100.1 Å²	100.1	54%	0.54	53%	0.529	S	S	.	.	H	α-helix	trans	-63.7	-36.3	177.6	-154.2	16.3	0	0	0	112	N224 L231 S232	N224-D228 WeakPolarHBondContact O-CB 3.45Å; N224-D228 PolarHBondContact O-N 2.56Å; D228-L231 PolarHBondContact O-N 3.42Å; D228-S232 WeakPolarHBondContact O-CB 3.35Å; D228-S232 PolarHBondContact O-N 2.86Å; D228-S232 PolarHBondContact O-OG 3.25Å
229	M	87.8	Confident	84.2	Confident	95 Å²	95	99.1 Å²	99.1	47%	0.468	54%	0.54	S	S	.	.	H	α-helix	trans	-65.2	-39.6	171.8	-173.2	-116.8	-86.9	0	0	112.1	T225 L226 M227 S232 Q233	T225-M229 VanDerWaalsContact O-CB 3.32Å; T225-M229 WeakPolarHBondContact O-CB 3.4Å; T225-M229 PolarHBondContact O-N 3.43Å; L226-M229 HydrophobicContact CD1-CE 4.23Å; M227-M229 VanDerWaalsContact C-N 3.32Å; M227-M229 PolarHBondContact O-N 2.93Å; M229-S232 VanDerWaalsContact CA-OG 3.3Å; M229-S232 WeakPolarHBondContact CA-OG 3.41Å; M229-S232 PolarHBondContact O-OG 2.89Å; M229-Q233 WeakPolarHBondContact O-CG 3.39Å; M229-Q233 PolarHBondContact O-N 3.31Å
230	R	87.6	Confident	84.4	Confident	171 Å²	171	98.4 Å²	98.4	65%	0.645	55%	0.554	S	S	*	*	H	α-helix	trans	-70.3	-36.4	174.4	-73.4	-162.2	177.7	-161.4	0.2	112.4	L226 M227 V234	L226-R230 WeakPolarHBondContact O-CG 3.43Å; L226-R230 PolarHBondContact O-N 3.48Å; M227-R230 PolarHBondContact O-N 2.58Å; M227-R230 VanDerWaalsContact O-N 3.12Å; R230-V234 WeakPolarHBondContact O-CG2 3.41Å; R230-V234 PolarHBondContact O-N 2.83Å; R230-V234 VanDerWaalsContact O-N 3.16Å
231	L	86.1	Confident	84.4	Confident	99 Å²	99	102.1 Å²	102.1	52%	0.518	56%	0.562	S	S	.	*	H	α-helix	trans	-67.6	-41.9	176	-72.5	174.5	0	0	0	111.5	M227 D228 V234 S235	M227-L231 HydrophobicContact CE-CD1 4.27Å; M227-L231 HydrophobicContact CG-CD1 4.2Å; M227-L231 HydrophobicContact CG-CG 4.5Å; M227-L231 WeakPolarHBondContact O-CG 3.18Å; M227-L231 PolarHBondContact O-N 2.91Å; D228-L231 PolarHBondContact O-N 3.42Å; L231-V234 PolarHBondContact O-N 3.47Å; L231-S235 VanDerWaalsContact O-CB 3.26Å; L231-S235 WeakPolarHBondContact O-CB 3.4Å; L231-S235 PolarHBondContact O-N 2.92Å
232	S	84.4	Confident	84.3	Confident	49 Å²	49	103.6 Å²	103.6	34%	0.343	58%	0.578	S	S	.	*	H	α-helix	trans	-65.1	-39.9	174.1	48	0	0	0	0	112.5	D228 M229 V234 S235 D236	D228-S232 WeakPolarHBondContact O-CB 3.35Å; D228-S232 PolarHBondContact O-N 2.86Å; D228-S232 PolarHBondContact O-OG 3.25Å; M229-S232 VanDerWaalsContact CA-OG 3.3Å; M229-S232 WeakPolarHBondContact CA-OG 3.41Å; M229-S232 PolarHBondContact O-OG 2.89Å; S232-V234 VanDerWaalsContact C-N 3.28Å; S232-V234 PolarHBondContact O-N 3.27Å; S232-S235 CarbonylContact O-C 3.42Å; S232-S235 WeakPolarHBondContact O-CA 3.34Å; S232-S235 WeakPolarHBondContact O-CB 3.32Å; S232-S235 PolarHBondContact O-N 2.87Å; S232-S235 VanDerWaalsContact O-N 3.07Å; S232-D236 WeakPolarHBondContact O-CB 3.44Å; S232-D236 VanDerWaalsContact O-CG 3.25Å; S232-D236 PolarHBondContact O-N 3.18Å
233	Q	85.4	Confident	84.6	Confident	118 Å²	118	107.4 Å²	107.4	55%	0.551	60%	0.596	S	S	*	*	H	α-helix	trans	-59	-38.2	172.2	-79.1	178.6	-15.9	0	0	113.1	M229 S237	M229-Q233 WeakPolarHBondContact O-CG 3.39Å; M229-Q233 PolarHBondContact O-N 3.31Å; Q233-S237 PolarHBondContact O-OG 3.43Å
234	V	84.3	Confident	84.8	Confident	96 Å²	96	103 Å²	103	58%	0.582	59%	0.589	S	S	*	*	H	α-helix	trans	-72.6	-39.4	173.8	174.8	0	0	0	0	110.5	R230 L231 S232 S237 V238	R230-V234 WeakPolarHBondContact O-CG2 3.41Å; R230-V234 PolarHBondContact O-N 2.83Å; R230-V234 VanDerWaalsContact O-N 3.16Å; L231-V234 PolarHBondContact O-N 3.47Å; S232-V234 VanDerWaalsContact C-N 3.28Å; S232-V234 PolarHBondContact O-N 3.27Å; V234-S237 WeakPolarHBondContact O-CB 3Å; V234-S237 PolarHBondContact O-N 3.5Å; V234-V238 WeakPolarHBondContact O-CG2 3.44Å; V234-V238 PolarHBondContact O-N 3.27Å
235	S	80.6	Confident	84.9	Confident	37 Å²	37	102.5 Å²	102.5	26%	0.259	59%	0.586	S	S	.	*	H	α-helix	trans	-63.9	-40.2	179.2	-166.4	0	0	0	0	112.7	L231 S232 S237 V238 Q241	L231-S235 VanDerWaalsContact O-CB 3.26Å; L231-S235 WeakPolarHBondContact O-CB 3.4Å; L231-S235 PolarHBondContact O-N 2.92Å; S232-S235 CarbonylContact O-C 3.42Å; S232-S235 WeakPolarHBondContact O-CA 3.34Å; S232-S235 WeakPolarHBondContact O-CB 3.32Å; S232-S235 PolarHBondContact O-N 2.87Å; S232-S235 VanDerWaalsContact O-N 3.07Å; S235-S237 PolarHBondContact O-N 3.01Å; S235-V238 WeakPolarHBondContact O-CB 3.28Å; S235-V238 PolarHBondContact O-N 2.93Å; S235-Q241 PolarHBondContact OG-NE2 3.47Å; S235-Q241 PolarHBondContact OG-OE1 3.36Å; S235-Q241 VanDerWaalsContact OG-OE1 3.08Å
236	D	81.4	Confident	85.1	Confident	140 Å²	140	102.6 Å²	102.6	75%	0.749	59%	0.588	S	S	*	*	H	α-helix	trans	-63.2	-25.9	176.8	-71.7	-12.2	0	0	0	112	S232 V238	S232-D236 WeakPolarHBondContact O-CB 3.44Å; S232-D236 VanDerWaalsContact O-CG 3.25Å; S232-D236 PolarHBondContact O-N 3.18Å; D236-V238 VanDerWaalsContact C-N 3.35Å
237	S	82.4	Confident	85.2	Confident	101 Å²	101	105.9 Å²	105.9	71%	0.706	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-12.6	175.2	-53.6	0	0	0	0	112.8	Q233 V234 S235 S239	Q233-S237 PolarHBondContact O-OG 3.43Å; V234-S237 WeakPolarHBondContact O-CB 3Å; V234-S237 PolarHBondContact O-N 3.5Å; S235-S237 PolarHBondContact O-N 3.01Å; S237-S239 PolarHBondContact O-N 3.13Å
238	V	82.3	Confident	85.4	Confident	79 Å²	79	101.5 Å²	101.5	48%	0.479	58%	0.584	S	S	.	*			trans	-93	90.4	178.4	179.6	0	0	0	0	109.1	V234 S235 D236 Q241	V234-V238 WeakPolarHBondContact O-CG2 3.44Å; V234-V238 PolarHBondContact O-N 3.27Å; S235-V238 WeakPolarHBondContact O-CB 3.28Å; S235-V238 PolarHBondContact O-N 2.93Å; D236-V238 VanDerWaalsContact C-N 3.35Å; V238-Q241 HydrophobicContact CG1-CG 4.14Å
239	S	76.6	Confident	85.6	Confident	118 Å²	118	102.7 Å²	102.7	83%	0.825	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	140.6	171.7	62.3	0	0	0	0	111.3	S237	S237-S239 PolarHBondContact O-N 3.13Å
240	G	83.1	Confident	85.8	Confident	75 Å²	75	103 Å²	103	77%	0.773	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	102.5	9.3	177.7	0	0	0	0	0	115.1	T242	G240-T242 PolarHBondContact O-N 3.29Å
241	Q	80	Confident	86	Confident	117 Å²	117	98.3 Å²	98.3	55%	0.547	58%	0.575	S	S	.	*			trans	-68.2	120.4	168.7	-64.8	-178.3	-8.8	0	0	110	S235 V238 V243	S235-Q241 PolarHBondContact OG-NE2 3.47Å; S235-Q241 PolarHBondContact OG-OE1 3.36Å; S235-Q241 VanDerWaalsContact OG-OE1 3.08Å; V238-Q241 HydrophobicContact CG1-CG 4.14Å; Q241-V243 PolarHBondContact O-N 2.73Å
242	T	84.3	Confident	86.3	Confident	144 Å²	144	98.7 Å²	98.7	88%	0.883	58%	0.578	S	S	*	*			trans	-88.9	105.1	177.9	62.3	0	0	0	0	109.7	G240	G240-T242 PolarHBondContact O-N 3.29Å
243	V	87	Confident	86.5	Confident	137 Å²	137	99.6 Å²	99.6	83%	0.83	58%	0.578	S	S	*	*			trans	-111	119.3	166.8	62.1	0	0	0	0	108.2	Q241	Q241-V243 PolarHBondContact O-N 2.73Å
244	V	87.8	Confident	86.7	Confident	91 Å²	91	99.3 Å²	99.3	55%	0.552	58%	0.581	S	S	*	*			trans	-81.4	142.2	172	69.1	0	0	0	0	108.7	P246 Y249	V244-P246 WeakPolarHBondContact O-CD 3.42Å; V244-P246 VanDerWaalsContact O-N 3.15Å; V244-Y249 HydrophobicContact CG2-CD2 3.8Å; V244-Y249 HydrophobicContact CG2-CG 4.22Å
245	D	90.6	Very high	86.8	Confident	95 Å²	95	99 Å²	99	51%	0.508	58%	0.583	S	S	.	*			trans	-64.8	111.6	168.8	173.2	20	0	0	0	108.6	K247 G248 Y249	D245-K247 PolarHBondContact O-N 2.76Å; D245-K247 WeakPolarHBondContact OD1-CB 3.34Å; D245-K247 PolarHBondContact OD1-N 3.26Å; D245-G248 PolarHBondContact O-N 3.19Å; D245-G248 PolarHBondContact OD2-N 3.3Å; D245-Y249 WeakPolarHBondContact O-CB 2.84Å; D245-Y249 PolarHBondContact O-N 2.73Å
246	P	90.9	Very high	87	Confident	87 Å²	87	103.9 Å²	103.9	57%	0.565	60%	0.603	S	S	*	*	H	α-helix	trans	-61.1	-28.6	-178.6	26	-34.7	0	0	0	111.5	V244 L250	V244-P246 WeakPolarHBondContact O-CD 3.42Å; V244-P246 VanDerWaalsContact O-N 3.15Å; P246-L250 VanDerWaalsContact O-CB 3.29Å; P246-L250 WeakPolarHBondContact O-CB 3.25Å; P246-L250 WeakPolarHBondContact O-CD1 3.26Å; P246-L250 WeakPolarHBondContact O-CG 3.48Å; P246-L250 PolarHBondContact O-N 3.23Å
247	K	90.1	Very high	87	Confident	157 Å²	157	102.5 Å²	102.5	68%	0.683	60%	0.595	S	S	*	*	H	α-helix	trans	-73.6	-47.8	178.4	-173	-173.6	175.7	-172.2	0	111.3	D245 Y249 L250 T251	D245-K247 PolarHBondContact O-N 2.76Å; D245-K247 WeakPolarHBondContact OD1-CB 3.34Å; D245-K247 PolarHBondContact OD1-N 3.26Å; K247-Y249 VanDerWaalsContact C-N 3.34Å; K247-L250 PolarHBondContact O-N 2.86Å; K247-T251 WeakPolarHBondContact O-CB 3.39Å; K247-T251 PolarHBondContact O-N 3.39Å; K247-T251 PolarHBondContact O-OG1 3.35Å
248	G	91.5	Very high	86.7	Confident	25 Å²	25	102.1 Å²	102.1	26%	0.258	59%	0.59	S	S	.	*	H	α-helix	trans	-56.2	-49.7	172.6	0	0	0	0	0	111.3	D245 L250 T251 D252	D245-G248 PolarHBondContact O-N 3.19Å; D245-G248 PolarHBondContact OD2-N 3.3Å; G248-L250 PolarHBondContact O-N 3.18Å; G248-T251 WeakPolarHBondContact O-CA 3.37Å; G248-T251 WeakPolarHBondContact O-CB 3.36Å; G248-T251 PolarHBondContact O-N 3.17Å; G248-D252 PolarHBondContact O-N 2.96Å
249	Y	92.6	Very high	86.4	Confident	126 Å²	126	105.4 Å²	105.4	49%	0.494	61%	0.61	S	S	.	*	H	α-helix	trans	-61.8	-43.1	-180	-162.1	-98	0	0	0	112.9	V244 D245 K247 T251 D252 L253	V244-Y249 HydrophobicContact CG2-CD2 3.8Å; V244-Y249 HydrophobicContact CG2-CG 4.22Å; D245-Y249 WeakPolarHBondContact O-CB 2.84Å; D245-Y249 PolarHBondContact O-N 2.73Å; K247-Y249 VanDerWaalsContact C-N 3.34Å; Y249-T251 VanDerWaalsContact C-N 3.29Å; Y249-T251 PolarHBondContact O-N 3.42Å; Y249-D252 PolarHBondContact O-N 3.41Å; Y249-L253 HydrophobicContact CD1-CD1 3.9Å; Y249-L253 HydrophobicContact CD1-CG 4.03Å; Y249-L253 HydrophobicContact CE1-CD1 3.77Å; Y249-L253 HydrophobicContact CE1-CD2 4.14Å; Y249-L253 HydrophobicContact CE1-CG 3.93Å; Y249-L253 WeakPolarHBondContact O-CB 3.3Å; Y249-L253 WeakPolarHBondContact O-CG 3.4Å; Y249-L253 PolarHBondContact O-N 3.11Å
250	L	92	Very high	86.1	Confident	101 Å²	101	106.9 Å²	106.9	53%	0.529	60%	0.604	S	S	.	*	H	α-helix	trans	-65.7	-32.5	174.6	-72.7	173.1	0	0	0	112.4	P246 K247 G248 L253 N254	P246-L250 VanDerWaalsContact O-CB 3.29Å; P246-L250 WeakPolarHBondContact O-CB 3.25Å; P246-L250 WeakPolarHBondContact O-CD1 3.26Å; P246-L250 WeakPolarHBondContact O-CG 3.48Å; P246-L250 PolarHBondContact O-N 3.23Å; K247-L250 PolarHBondContact O-N 2.86Å; G248-L250 PolarHBondContact O-N 3.18Å; L250-L253 HydrophobicContact CD2-CD1 4.35Å; L250-L253 PolarHBondContact O-N 3.17Å; L250-N254 WeakPolarHBondContact O-CB 3.49Å; L250-N254 VanDerWaalsContact O-CG 3.23Å; L250-N254 PolarHBondContact O-N 3.44Å; L250-N254 PolarHBondContact O-ND2 3.24Å; L250-N254 VanDerWaalsContact O-ND2 3.13Å
251	T	92.3	Very high	85.3	Confident	73 Å²	73	104.6 Å²	104.6	45%	0.448	58%	0.58	S	S	.	*	H	α-helix	trans	-67.9	-40.6	175.1	-54.2	0	0	0	0	110.9	K247 G248 Y249 N254 S255	K247-T251 WeakPolarHBondContact O-CB 3.39Å; K247-T251 PolarHBondContact O-N 3.39Å; K247-T251 PolarHBondContact O-OG1 3.35Å; G248-T251 WeakPolarHBondContact O-CA 3.37Å; G248-T251 WeakPolarHBondContact O-CB 3.36Å; G248-T251 PolarHBondContact O-N 3.17Å; Y249-T251 VanDerWaalsContact C-N 3.29Å; Y249-T251 PolarHBondContact O-N 3.42Å; T251-N254 PolarHBondContact O-N 2.92Å; T251-S255 WeakPolarHBondContact O-CB 3.49Å; T251-S255 PolarHBondContact O-N 3.41Å; T251-S255 PolarHBondContact O-OG 3.37Å
252	D	91.9	Very high	85	Confident	106 Å²	106	101.6 Å²	101.6	57%	0.567	58%	0.581	S	S	*	*	H	α-helix	trans	-67.9	-40.3	175.4	-65.1	-22.1	0	0	0	111.3	G248 Y249 N254 S255 M256	G248-D252 PolarHBondContact O-N 2.96Å; Y249-D252 PolarHBondContact O-N 3.41Å; D252-N254 VanDerWaalsContact C-N 3.32Å; D252-N254 PolarHBondContact O-N 3.45Å; D252-S255 WeakPolarHBondContact O-CB 3.42Å; D252-S255 PolarHBondContact O-N 2.88Å; D252-M256 WeakPolarHBondContact O-CG 3.49Å; D252-M256 PolarHBondContact O-N 3.38Å
253	L	90.2	Very high	84.9	Confident	68 Å²	68	99.3 Å²	99.3	36%	0.356	56%	0.563	S	S	.	*	H	α-helix	trans	-60.8	-39.7	172.9	-73.5	-173.8	0	0	0	112.4	Y249 L250 S255 M256	Y249-L253 HydrophobicContact CD1-CD1 3.9Å; Y249-L253 HydrophobicContact CD1-CG 4.03Å; Y249-L253 HydrophobicContact CE1-CD1 3.77Å; Y249-L253 HydrophobicContact CE1-CD2 4.14Å; Y249-L253 HydrophobicContact CE1-CG 3.93Å; Y249-L253 WeakPolarHBondContact O-CB 3.3Å; Y249-L253 WeakPolarHBondContact O-CG 3.4Å; Y249-L253 PolarHBondContact O-N 3.11Å; L250-L253 HydrophobicContact CD2-CD1 4.35Å; L250-L253 PolarHBondContact O-N 3.17Å; L253-S255 VanDerWaalsContact C-N 3.31Å; L253-M256 HydrophobicContact CD2-CE 4.35Å; L253-M256 HydrophobicContact CD2-CG 4.48Å; L253-M256 HydrophobicContact CD2-SD 3.55Å; L253-M256 VanDerWaalsContact CD2-SD 3.55Å; L253-M256 WeakPolarHBondContact O-CG 3.4Å
254	N	88.8	Confident	84.7	Confident	112 Å²	112	97.9 Å²	97.9	60%	0.599	55%	0.55	S	S	*	*	H	α-helix	trans	-69.4	-31.3	173.7	-72.1	-30.9	0	0	0	112.1	L250 T251 D252 I257	L250-N254 WeakPolarHBondContact O-CB 3.49Å; L250-N254 VanDerWaalsContact O-CG 3.23Å; L250-N254 PolarHBondContact O-N 3.44Å; L250-N254 PolarHBondContact O-ND2 3.24Å; L250-N254 VanDerWaalsContact O-ND2 3.13Å; T251-N254 PolarHBondContact O-N 2.92Å; D252-N254 VanDerWaalsContact C-N 3.32Å; D252-N254 PolarHBondContact O-N 3.45Å; N254-I257 PolarHBondContact O-N 3.04Å
255	S	87.1	Confident	84.7	Confident	91 Å²	91	98.8 Å²	98.8	64%	0.636	55%	0.552	S	S	*	*	H	α-helix	trans	-73.4	-28.3	178.5	-58.1	0	0	0	0	112.7	T251 D252 L253 I257	T251-S255 WeakPolarHBondContact O-CB 3.49Å; T251-S255 PolarHBondContact O-N 3.41Å; T251-S255 PolarHBondContact O-OG 3.37Å; D252-S255 WeakPolarHBondContact O-CB 3.42Å; D252-S255 PolarHBondContact O-N 2.88Å; L253-S255 VanDerWaalsContact C-N 3.31Å; S255-I257 VanDerWaalsContact C-N 3.35Å
256	M	83.6	Confident	84.5	Confident	138 Å²	138	98.9 Å²	98.9	68%	0.68	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-0.4	174.8	63.7	173.2	-97.4	0	0	114.3	D252 L253 P258	D252-M256 WeakPolarHBondContact O-CG 3.49Å; D252-M256 PolarHBondContact O-N 3.38Å; L253-M256 HydrophobicContact CD2-CE 4.35Å; L253-M256 HydrophobicContact CD2-CG 4.48Å; L253-M256 HydrophobicContact CD2-SD 3.55Å; L253-M256 VanDerWaalsContact CD2-SD 3.55Å; L253-M256 WeakPolarHBondContact O-CG 3.4Å; M256-P258 WeakPolarHBondContact O-CD 3.46Å
257	I	82.7	Confident	84.3	Confident	112 Å²	112	95.7 Å²	95.7	57%	0.574	53%	0.53	S	S	*	.	S	Bend	trans	-65.5	122.4	177	-112.5	165.3	0	0	0	108.8	N254 S255 T259	N254-I257 PolarHBondContact O-N 3.04Å; S255-I257 VanDerWaalsContact C-N 3.35Å; I257-T259 PolarHBondContact O-N 2.88Å; I257-T259 VanDerWaalsContact O-N 3.1Å
258	P	75.8	Confident	84.2	Confident	92 Å²	92	93.9 Å²	93.9	60%	0.597	52%	0.522	S	S	*	.			trans	-69.8	112.8	179.5	27.4	-32.1	0	0	0	108.8	M256 H260 G261	M256-P258 WeakPolarHBondContact O-CD 3.46Å; P258-H260 PolarHBondContact O-N 3.24Å; P258-H260 VanDerWaalsContact O-N 3.14Å; P258-G261 PolarHBondContact O-N 2.99Å
259	T	76	Confident	84.2	Confident	148 Å²	148	99.9 Å²	99.9	91%	0.908	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.9	174.5	51.7	0	0	0	0	112.5	I257	I257-T259 PolarHBondContact O-N 2.88Å; I257-T259 VanDerWaalsContact O-N 3.1Å
260	H	70.6	Confident	84	Confident	149 Å²	149	95.4 Å²	95.4	69%	0.69	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.9	52.3	178.8	-161.2	-71.9	0	0	0	112.3	P258	P258-H260 PolarHBondContact O-N 3.24Å; P258-H260 VanDerWaalsContact O-N 3.14Å
261	G	65.1	Low	83.8	Confident	27 Å²	27	93.1 Å²	93.1	28%	0.278	51%	0.514	S	S	.	.			trans	-79.4	-16	178.4	0	0	0	0	0	115.9	P258	P258-G261 PolarHBondContact O-N 2.99Å
262	G	74.6	Confident	83.8	Confident	55 Å²	55	95.3 Å²	95.3	57%	0.567	52%	0.523	S	S	*	.			trans	65.5	174	-171.9	0	0	0	0	0	113.6	I264	G262-I264 PolarHBondContact O-N 3.28Å
263	D	82.4	Confident	83.7	Confident	95 Å²	95	95.5 Å²	95.5	51%	0.508	52%	0.523	S	S	.	.			trans	-75.1	121.7	171.2	-173.1	-29.3	0	0	0	109.5	N265 D266 I267	D263-N265 PolarHBondContact O-N 2.84Å; D263-N265 VanDerWaalsContact O-N 3.11Å; D263-N265 PolarHBondContact OD1-N 3.43Å; D263-D266 HydrophobicContact CB-CB 4.26Å; D263-D266 PolarHBondContact O-N 3.35Å; D263-I267 WeakPolarHBondContact O-CB 3.4Å; D263-I267 WeakPolarHBondContact O-CG1 3.28Å; D263-I267 PolarHBondContact O-N 2.97Å
264	I	82.1	Confident	83.8	Confident	108 Å²	108	93.8 Å²	93.8	55%	0.554	51%	0.514	S	S	*	.	H	α-helix	trans	-55.6	-31.1	-178	-170.6	57.9	0	0	0	113.3	G262 K268	G262-I264 PolarHBondContact O-N 3.28Å; I264-K268 VanDerWaalsContact O-CG 3.27Å; I264-K268 WeakPolarHBondContact O-CG 3.44Å; I264-K268 PolarHBondContact O-N 3.42Å; I264-K268 VanDerWaalsContact O-N 3.13Å
265	N	86.9	Confident	84	Confident	110 Å²	110	92.8 Å²	92.8	59%	0.588	51%	0.505	S	S	*	.	H	α-helix	trans	-76.4	-46.9	-179.8	-165.6	19.4	0	0	0	111.3	D263 I267 K268 K269	D263-N265 PolarHBondContact O-N 2.84Å; D263-N265 VanDerWaalsContact O-N 3.11Å; D263-N265 PolarHBondContact OD1-N 3.43Å; N265-I267 VanDerWaalsContact C-N 3.3Å; N265-I267 PolarHBondContact O-N 3.2Å; N265-K268 WeakPolarHBondContact O-CB 3.4Å; N265-K268 PolarHBondContact O-N 3.14Å; N265-K268 VanDerWaalsContact O-N 3.08Å; N265-K269 PolarHBondContact O-N 3Å
266	D	88	Confident	84.2	Confident	96 Å²	96	90.9 Å²	90.9	51%	0.513	49%	0.491	S	S	.	.	H	α-helix	trans	-65.6	-35.6	176.2	-74	-25	0	0	0	111.8	D263 K268 K269 A270	D263-D266 HydrophobicContact CB-CB 4.26Å; D263-D266 PolarHBondContact O-N 3.35Å; D266-K268 VanDerWaalsContact C-N 3.34Å; D266-K268 PolarHBondContact O-N 3.31Å; D266-K269 PolarHBondContact O-N 2.97Å; D266-A270 VanDerWaalsContact O-CB 3.23Å; D266-A270 WeakPolarHBondContact O-CB 3.41Å; D266-A270 PolarHBondContact O-N 3.31Å
267	I	86.4	Confident	84.6	Confident	20 Å²	20	86.4 Å²	86.4	10%	0.103	47%	0.471	C	S	.	.	H	α-helix	trans	-60.2	-42.6	170.7	-73	-62.6	0	0	0	111.3	D263 N265 A270 R271 L294 T298	D263-I267 WeakPolarHBondContact O-CB 3.4Å; D263-I267 WeakPolarHBondContact O-CG1 3.28Å; D263-I267 PolarHBondContact O-N 2.97Å; N265-I267 VanDerWaalsContact C-N 3.3Å; N265-I267 PolarHBondContact O-N 3.2Å; I267-A270 PolarHBondContact O-N 3.21Å; I267-R271 WeakPolarHBondContact O-CB 3.39Å; I267-R271 PolarHBondContact O-N 2.93Å; I267-L294 HydrophobicContact CD1-CD1 3.56Å; I267-T298 HydrophobicContact CB-CG2 4.37Å; I267-T298 HydrophobicContact CD1-CG2 3.94Å; I267-T298 HydrophobicContact CG1-CG2 4.18Å; I267-T298 HydrophobicContact CG2-CG2 3.3Å
268	K	87.8	Confident	84.9	Confident	120 Å²	120	82.8 Å²	82.8	52%	0.522	45%	0.451	S	S	.	.	H	α-helix	trans	-66.4	-41	176.6	-77	171.6	-178.5	177.8	0	111.4	I264 N265 D266 R271 L272	I264-K268 VanDerWaalsContact O-CG 3.27Å; I264-K268 WeakPolarHBondContact O-CG 3.44Å; I264-K268 PolarHBondContact O-N 3.42Å; I264-K268 VanDerWaalsContact O-N 3.13Å; N265-K268 WeakPolarHBondContact O-CB 3.4Å; N265-K268 PolarHBondContact O-N 3.14Å; N265-K268 VanDerWaalsContact O-N 3.08Å; D266-K268 VanDerWaalsContact C-N 3.34Å; D266-K268 PolarHBondContact O-N 3.31Å; K268-R271 WeakPolarHBondContact O-CB 3.39Å; K268-R271 PolarHBondContact O-N 3.16Å; K268-L272 PolarHBondContact O-N 3.08Å
269	K	90.8	Very high	85.6	Confident	151 Å²	151	84 Å²	84	66%	0.657	45%	0.448	S	S	*	.	H	α-helix	trans	-63.5	-45.8	175	-175.6	-179.2	176.6	-175.9	0	111.5	N265 D266 R271 L272 L273	N265-K269 PolarHBondContact O-N 3Å; D266-K269 PolarHBondContact O-N 2.97Å; K269-R271 VanDerWaalsContact C-N 3.33Å; K269-R271 PolarHBondContact O-N 3.24Å; K269-L272 PolarHBondContact O-N 3.04Å; K269-L273 WeakPolarHBondContact O-CB 3.2Å; K269-L273 PolarHBondContact O-N 3.1Å
270	A	88.3	Confident	86.3	Confident	31 Å²	31	81.5 Å²	81.5	26%	0.256	43%	0.433	S	S	.	.	H	α-helix	trans	-63.2	-38.8	175.1	0	0	0	0	0	111.3	D266 I267 L272 L273 L274 L294	D266-A270 VanDerWaalsContact O-CB 3.23Å; D266-A270 WeakPolarHBondContact O-CB 3.41Å; D266-A270 PolarHBondContact O-N 3.31Å; I267-A270 PolarHBondContact O-N 3.21Å; A270-L272 VanDerWaalsContact C-N 3.34Å; A270-L272 PolarHBondContact O-N 3.23Å; A270-L273 PolarHBondContact O-N 3.13Å; A270-L274 WeakPolarHBondContact O-CB 3.49Å; A270-L274 VanDerWaalsContact O-CG 3.27Å; A270-L274 WeakPolarHBondContact O-CG 3.32Å; A270-L274 PolarHBondContact O-N 2.88Å; A270-L294 HydrophobicContact CB-CD1 4.26Å; A270-L294 HydrophobicContact CB-CD2 3.77Å
271	R	89.2	Confident	87.2	Confident	53 Å²	53	78.4 Å²	78.4	20%	0.2	42%	0.422	C	S	.	.	H	α-helix	trans	-61.9	-42.5	174.7	-179.4	-176.7	-75.7	125.7	-0.4	111.3	I267 K268 K269 K275 L294 E295 T298	I267-R271 WeakPolarHBondContact O-CB 3.39Å; I267-R271 PolarHBondContact O-N 2.93Å; K268-R271 WeakPolarHBondContact O-CB 3.39Å; K268-R271 PolarHBondContact O-N 3.16Å; K269-R271 VanDerWaalsContact C-N 3.33Å; K269-R271 PolarHBondContact O-N 3.24Å; R271-K275 WeakPolarHBondContact O-CB 3.04Å; R271-K275 PolarHBondContact O-N 2.64Å; R271-L294 HydrophobicContact CB-CD2 4.03Å; R271-E295 WeakPolarHBondContact CD-OE1 3.46Å; R271-E295 IonicContact CZ-OE1 3.28Å; R271-E295 IonicContact CZ-OE2 3.19Å; R271-E295 IonicContact NE-OE1 3.87Å; R271-E295 PolarHBondContact NE-OE1 3.4Å; R271-E295 IonicContact NE-OE2 2.69Å; R271-E295 PolarHBondContact NE-OE2 3.04Å; R271-E295 IonicContact NH2-OE1 2.82Å; R271-E295 IonicContact NH2-OE2 3.32Å; R271-E295 PolarHBondContact NH2-OE2 3.3Å; R271-T298 PolarHBondContact NH2-OG1 2.87Å
272	L	91.4	Very high	88.3	Confident	120 Å²	120	79.1 Å²	79.1	63%	0.628	42%	0.421	S	S	*	.	H	α-helix	trans	-66.6	-44.4	176.3	-178.3	61.7	0	0	0	111.7	K268 K269 A270 K275 S276	K268-L272 PolarHBondContact O-N 3.08Å; K269-L272 PolarHBondContact O-N 3.04Å; A270-L272 VanDerWaalsContact C-N 3.34Å; A270-L272 PolarHBondContact O-N 3.23Å; L272-K275 WeakPolarHBondContact O-CB 3.47Å; L272-K275 PolarHBondContact O-N 2.83Å; L272-S276 PolarHBondContact O-N 3.2Å
273	L	91	Very high	89	Confident	109 Å²	109	83.6 Å²	83.6	57%	0.571	43%	0.427	S	S	*	.	H	α-helix	trans	-61.7	-48.5	176.7	-179.1	67.1	0	0	0	111.6	K269 A270 K275 S276 V277	K269-L273 WeakPolarHBondContact O-CB 3.2Å; K269-L273 PolarHBondContact O-N 3.1Å; A270-L273 PolarHBondContact O-N 3.13Å; L273-K275 VanDerWaalsContact C-N 3.27Å; L273-K275 PolarHBondContact O-N 3.4Å; L273-S276 PolarHBondContact O-N 3.11Å; L273-S276 PolarHBondContact O-OG 3.24Å; L273-V277 HydrophobicContact CD1-CG2 4.47Å; L273-V277 HydrophobicContact CG-CG2 4.46Å; L273-V277 WeakPolarHBondContact O-CB 3.24Å; L273-V277 WeakPolarHBondContact O-CG2 3.45Å; L273-V277 PolarHBondContact O-N 2.96Å
274	L	91	Very high	89.4	Confident	32 Å²	32	83.1 Å²	83.1	17%	0.168	42%	0.421	C	S	.	.	H	α-helix	trans	-69.8	-28.2	-180	-67.3	179.5	0	0	0	112	A270 R278 A290 S291 L294	A270-L274 WeakPolarHBondContact O-CB 3.49Å; A270-L274 VanDerWaalsContact O-CG 3.27Å; A270-L274 WeakPolarHBondContact O-CG 3.32Å; A270-L274 PolarHBondContact O-N 2.88Å; L274-R278 WeakPolarHBondContact O-CG 3.41Å; L274-R278 PolarHBondContact O-N 2.96Å; L274-A290 HydrophobicContact CD1-CB 4.11Å; L274-A290 HydrophobicContact CD2-CB 3.91Å; L274-S291 WeakPolarHBondContact CB-OG 3.34Å; L274-S291 PolarHBondContact O-OG 3.31Å; L274-L294 HydrophobicContact CD1-CB 3.95Å; L274-L294 HydrophobicContact CD1-CD2 3.71Å; L274-L294 HydrophobicContact CD1-CG 4.4Å
275	K	92.4	Very high	89.6	Confident	92 Å²	92	79.6 Å²	79.6	40%	0.4	41%	0.406	S	S	.	.	H	α-helix	trans	-63.1	-49.5	168.3	-179.3	179.4	176	-173.2	0	111.3	R271 L272 L273 V277 R278 E279	R271-K275 WeakPolarHBondContact O-CB 3.04Å; R271-K275 PolarHBondContact O-N 2.64Å; L272-K275 WeakPolarHBondContact O-CB 3.47Å; L272-K275 PolarHBondContact O-N 2.83Å; L273-K275 VanDerWaalsContact C-N 3.27Å; L273-K275 PolarHBondContact O-N 3.4Å; K275-V277 VanDerWaalsContact C-N 3.32Å; K275-V277 PolarHBondContact O-N 3.1Å; K275-R278 WeakPolarHBondContact O-CG 3.22Å; K275-R278 PolarHBondContact O-N 2.79Å; K275-E279 WeakPolarHBondContact CE-OE1 3.15Å; K275-E279 HydrophobicContact CG-CG 4.49Å; K275-E279 WeakPolarHBondContact CG-OE1 3.18Å; K275-E279 IonicContact NZ-OE1 2.78Å; K275-E279 WeakPolarHBondContact O-CB 3.44Å; K275-E279 VanDerWaalsContact O-CG 3.29Å; K275-E279 WeakPolarHBondContact O-CG 3.38Å; K275-E279 PolarHBondContact O-N 3.16Å
276	S	92.6	Very high	89.9	Confident	51 Å²	51	77.6 Å²	77.6	36%	0.357	40%	0.399	S	S	.	.	H	α-helix	trans	-64.9	-37.6	177.3	64.9	0	0	0	0	111.9	L272 L273 E279 T280	L272-S276 PolarHBondContact O-N 3.2Å; L273-S276 PolarHBondContact O-N 3.11Å; L273-S276 PolarHBondContact O-OG 3.24Å; S276-E279 PolarHBondContact O-N 2.83Å; S276-T280 VanDerWaalsContact O-CB 3.32Å; S276-T280 WeakPolarHBondContact O-CB 3.28Å; S276-T280 WeakPolarHBondContact O-CG2 3.03Å; S276-T280 PolarHBondContact O-N 2.55Å; S276-T280 PolarHBondContact O-OG1 3.1Å
277	V	92	Very high	90	Very high	43 Å²	43	73.1 Å²	73.1	26%	0.261	38%	0.375	S	S	.	.	H	α-helix	trans	-64.4	-43	177.9	172.8	0	0	0	0	112.3	L273 K275 T280 N281 A287	L273-V277 HydrophobicContact CD1-CG2 4.47Å; L273-V277 HydrophobicContact CG-CG2 4.46Å; L273-V277 WeakPolarHBondContact O-CB 3.24Å; L273-V277 WeakPolarHBondContact O-CG2 3.45Å; L273-V277 PolarHBondContact O-N 2.96Å; K275-V277 VanDerWaalsContact C-N 3.32Å; K275-V277 PolarHBondContact O-N 3.1Å; V277-T280 WeakPolarHBondContact CA-OG1 3.1Å; V277-T280 PolarHBondContact O-OG1 3.18Å; V277-T280 VanDerWaalsContact O-OG1 3.09Å; V277-N281 WeakPolarHBondContact O-CB 3.44Å; V277-N281 PolarHBondContact O-N 3.5Å; V277-A287 HydrophobicContact CG1-CB 3.8Å
278	R	89.1	Confident	90.3	Very high	37 Å²	37	73.1 Å²	73.1	14%	0.14	37%	0.374	C	S	.	.	H	α-helix	trans	-75.3	-28.3	177.8	73.2	-179.5	175.2	-111	5	113.4	L274 K275 N281 P282 A287 W288 S291	L274-R278 WeakPolarHBondContact O-CG 3.41Å; L274-R278 PolarHBondContact O-N 2.96Å; K275-R278 WeakPolarHBondContact O-CG 3.22Å; K275-R278 PolarHBondContact O-N 2.79Å; R278-N281 CarbonylContact O-C 3.6Å; R278-P282 WeakPolarHBondContact O-CA 3.2Å; R278-A287 HydrophobicContact CB-CB 4.16Å; R278-W288 HydrophobicContact CB-CD2 4.39Å; R278-W288 HydrophobicContact CB-CZ2 4.33Å; R278-S291 PolarHBondContact NH1-OG 3.3Å
279	E	89.8	Confident	90.4	Very high	117 Å²	117	68.3 Å²	68.3	55%	0.547	35%	0.353	S	S	.	.	H	α-helix	trans	-75.2	-39.7	176.8	-75.4	173.1	-179.6	0	0	111.2	K275 S276	K275-E279 WeakPolarHBondContact CE-OE1 3.15Å; K275-E279 HydrophobicContact CG-CG 4.49Å; K275-E279 WeakPolarHBondContact CG-OE1 3.18Å; K275-E279 IonicContact NZ-OE1 2.78Å; K275-E279 WeakPolarHBondContact O-CB 3.44Å; K275-E279 VanDerWaalsContact O-CG 3.29Å; K275-E279 WeakPolarHBondContact O-CG 3.38Å; K275-E279 PolarHBondContact O-N 3.16Å; S276-E279 PolarHBondContact O-N 2.83Å
280	T	91.9	Very high	90.4	Very high	96 Å²	96	63 Å²	63	59%	0.589	34%	0.338	S	S	*	.	H	α-helix	trans	-72.1	-35.9	175.1	52.2	0	0	0	0	112.4	S276 V277 P282	S276-T280 VanDerWaalsContact O-CB 3.32Å; S276-T280 WeakPolarHBondContact O-CB 3.28Å; S276-T280 WeakPolarHBondContact O-CG2 3.03Å; S276-T280 PolarHBondContact O-N 2.55Å; S276-T280 PolarHBondContact O-OG1 3.1Å; V277-T280 WeakPolarHBondContact CA-OG1 3.1Å; V277-T280 PolarHBondContact O-OG1 3.18Å; V277-T280 VanDerWaalsContact O-OG1 3.09Å; T280-P282 WeakPolarHBondContact O-CD 3.32Å
281	N	88.1	Confident	90.4	Very high	84 Å²	84	61.6 Å²	61.6	45%	0.449	33%	0.326	S	S	.	.			trans	-124.7	78.3	179.9	-57.4	-65.4	0	0	0	112.3	V277 R278 H283 H284	V277-N281 WeakPolarHBondContact O-CB 3.44Å; V277-N281 PolarHBondContact O-N 3.5Å; R278-N281 CarbonylContact O-C 3.6Å; N281-H283 VanDerWaalsContact C-N 3.27Å; N281-H283 PolarHBondContact O-N 3.22Å; N281-H284 HydrophobicContact CB-CB 3.77Å; N281-H284 PolarHBondContact O-N 3.03Å
282	P	89.4	Confident	90.5	Very high	41 Å²	41	59.1 Å²	59.1	27%	0.266	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-26.3	-178.9	-24.1	35.3	0	0	0	114.6	R278 T280 W288 M314 C315	R278-P282 WeakPolarHBondContact O-CA 3.2Å; T280-P282 WeakPolarHBondContact O-CD 3.32Å; P282-W288 PolarHBondContact O-NE1 3.34Å; P282-M314 HydrophobicContact CB-CE 3.67Å; P282-C315 PolarHBondContact O-SG 3.25Å
283	H	89.4	Confident	90.5	Very high	149 Å²	149	59.5 Å²	59.5	69%	0.69	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	6.8	-179.9	-61	-51.2	0	0	0	114.1	N281 P285 M314	N281-H283 VanDerWaalsContact C-N 3.27Å; N281-H283 PolarHBondContact O-N 3.22Å; H283-P285 VanDerWaalsContact O-CD 3.28Å; H283-P285 WeakPolarHBondContact O-CD 3.42Å; H283-M314 PolarHBondContact ND1-O 2.97Å; H283-M314 VanDerWaalsContact ND1-O 3.13Å
284	H	89.6	Confident	90.4	Very high	85 Å²	85	55.5 Å²	55.5	39%	0.394	29%	0.289	S	S	.	.			trans	-91.9	109.4	-179.6	-175.6	-119.4	0	0	0	111.2	N281 A287	N281-H284 HydrophobicContact CB-CB 3.77Å; N281-H284 PolarHBondContact O-N 3.03Å; H284-A287 HydrophobicContact CB-CB 4.27Å; H284-A287 PolarHBondContact ND1-N 2.8Å; H284-A287 WeakPolarHBondContact O-CB 3.29Å; H284-A287 PolarHBondContact O-N 3.16Å
285	P	87.7	Confident	90.2	Very high	34 Å²	34	54.5 Å²	54.5	22%	0.221	28%	0.284	C	S	.	.	H	α-helix	trans	-63	-43.9	-173.3	-19.6	31.8	0	0	0	114.4	H283 A287 W288 I289 V321	H283-P285 VanDerWaalsContact O-CD 3.28Å; H283-P285 WeakPolarHBondContact O-CD 3.42Å; P285-A287 PolarHBondContact O-N 3.36Å; P285-W288 PolarHBondContact O-N 2.73Å; P285-I289 WeakPolarHBondContact O-CG1 3.38Å; P285-I289 PolarHBondContact O-N 3.04Å; P285-V321 HydrophobicContact CB-CG2 3.52Å
286	P	91.9	Very high	90	Very high	68 Å²	68	52.8 Å²	52.8	44%	0.442	28%	0.277	S	S	.	.	H	α-helix	trans	-61.4	-24.9	177.3	-24.7	34.2	0	0	0	114.5	I289 A290	P286-I289 PolarHBondContact O-N 3Å; P286-A290 WeakPolarHBondContact O-CB 3.4Å; P286-A290 PolarHBondContact O-N 3.46Å
287	A	90.6	Very high	89.7	Confident	2 Å²	2	53.4 Å²	53.4	2%	0.017	28%	0.279	C	S	.	.	H	α-helix	trans	-65.1	-42.9	178	0	0	0	0	0	111.8	V277 R278 H284 P285 S291	V277-A287 HydrophobicContact CG1-CB 3.8Å; R278-A287 HydrophobicContact CB-CB 4.16Å; H284-A287 HydrophobicContact CB-CB 4.27Å; H284-A287 PolarHBondContact ND1-N 2.8Å; H284-A287 WeakPolarHBondContact O-CB 3.29Å; H284-A287 PolarHBondContact O-N 3.16Å; P285-A287 PolarHBondContact O-N 3.36Å; A287-S291 WeakPolarHBondContact O-CB 3.5Å; A287-S291 PolarHBondContact O-N 3.29Å; A287-S291 PolarHBondContact O-OG 3.3Å
288	W	91.8	Very high	89.2	Confident	20 Å²	20	53.2 Å²	53.2	8%	0.076	28%	0.278	C	S	.	.	H	α-helix	trans	-70.2	-41.6	176.7	-64.4	102.2	0	0	0	111.6	R278 P282 P285 S291 A292 L307 K310 G311 M314	R278-W288 HydrophobicContact CB-CD2 4.39Å; R278-W288 HydrophobicContact CB-CZ2 4.33Å; P282-W288 PolarHBondContact O-NE1 3.34Å; P285-W288 PolarHBondContact O-N 2.73Å; W288-S291 PolarHBondContact O-N 2.9Å; W288-A292 WeakPolarHBondContact O-CB 3.37Å; W288-A292 PolarHBondContact O-N 2.86Å; W288-L307 HydrophobicContact CE3-CD1 4.04Å; W288-L307 HydrophobicContact CE3-CG 4.09Å; W288-L307 HydrophobicContact CZ3-CD1 3.68Å; W288-L307 HydrophobicContact CZ3-CG 4.24Å; W288-K310 HydrophobicContact CH2-CB 4.48Å; W288-K310 HydrophobicContact CH2-CG 3.95Å; W288-K310 HydrophobicContact CZ3-CB 4.06Å; W288-K310 HydrophobicContact CZ3-CG 4.03Å; W288-G311 VanDerWaalsContact CD2-CA 3.48Å; W288-M314 HydrophobicContact CH2-CG 4.44Å; W288-M314 HydrophobicContact CZ2-CB 4.19Å; W288-M314 HydrophobicContact CZ2-CG 3.95Å
289	I	91.6	Very high	88.6	Confident	19 Å²	19	54.3 Å²	54.3	10%	0.097	30%	0.3	C	S	.	.	H	α-helix	trans	-62.3	-50.9	176.7	-63.7	168	0	0	0	110.6	P285 P286 S291 A292 R293 D320 V321 E324	P285-I289 WeakPolarHBondContact O-CG1 3.38Å; P285-I289 PolarHBondContact O-N 3.04Å; P286-I289 PolarHBondContact O-N 3Å; I289-S291 VanDerWaalsContact C-N 3.33Å; I289-S291 PolarHBondContact O-N 2.95Å; I289-A292 PolarHBondContact O-N 2.66Å; I289-R293 HydrophobicContact CG2-CG 4.36Å; I289-R293 WeakPolarHBondContact O-CB 3.26Å; I289-R293 WeakPolarHBondContact O-CG 3.47Å; I289-R293 PolarHBondContact O-N 3.46Å; I289-D320 HydrophobicContact CD1-CB 3.65Å; I289-V321 HydrophobicContact CD1-CG2 4Å; I289-V321 HydrophobicContact CG1-CG2 3.9Å; I289-E324 HydrophobicContact CG1-CB 4.31Å; I289-E324 HydrophobicContact CG1-CG 4.49Å; I289-E324 HydrophobicContact CG2-CG 4.17Å
290	A	89.4	Confident	88.4	Confident	40 Å²	40	54 Å²	54	33%	0.331	30%	0.297	S	S	.	.	H	α-helix	trans	-61.4	-42.7	180	0	0	0	0	0	111.3	L274 P286 A292 L294	L274-A290 HydrophobicContact CD1-CB 4.11Å; L274-A290 HydrophobicContact CD2-CB 3.91Å; P286-A290 WeakPolarHBondContact O-CB 3.4Å; P286-A290 PolarHBondContact O-N 3.46Å; A290-A292 VanDerWaalsContact C-N 3.33Å; A290-A292 PolarHBondContact O-N 3.38Å; A290-L294 WeakPolarHBondContact O-CB 3.38Å; A290-L294 PolarHBondContact O-N 3.48Å
291	S	89.5	Confident	88.2	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.014	29%	0.287	C	S	.	.	H	α-helix	trans	-63	-40.8	177.8	-58.7	0	0	0	0	112	L274 R278 A287 W288 I289 L294 E295	L274-S291 WeakPolarHBondContact CB-OG 3.34Å; L274-S291 PolarHBondContact O-OG 3.31Å; R278-S291 PolarHBondContact NH1-OG 3.3Å; A287-S291 WeakPolarHBondContact O-CB 3.5Å; A287-S291 PolarHBondContact O-N 3.29Å; A287-S291 PolarHBondContact O-OG 3.3Å; W288-S291 PolarHBondContact O-N 2.9Å; I289-S291 VanDerWaalsContact C-N 3.33Å; I289-S291 PolarHBondContact O-N 2.95Å; S291-L294 PolarHBondContact O-N 3.41Å; S291-E295 WeakPolarHBondContact O-CG 3.33Å; S291-E295 PolarHBondContact O-N 2.82Å; S291-E295 VanDerWaalsContact O-N 3.15Å
292	A	90.9	Very high	88.3	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-72	-42.3	-179.7	0	0	0	0	0	113.2	W288 I289 A290 L294 E295 E296 A304 I308 L328	W288-A292 WeakPolarHBondContact O-CB 3.37Å; W288-A292 PolarHBondContact O-N 2.86Å; I289-A292 PolarHBondContact O-N 2.66Å; A290-A292 VanDerWaalsContact C-N 3.33Å; A290-A292 PolarHBondContact O-N 3.38Å; A292-L294 VanDerWaalsContact C-N 3.27Å; A292-L294 PolarHBondContact O-N 3.46Å; A292-E295 PolarHBondContact O-N 3.08Å; A292-E296 PolarHBondContact O-N 3.17Å; A292-A304 HydrophobicContact CB-CB 4.48Å; A292-A304 WeakPolarHBondContact O-CB 3.04Å; A292-I308 HydrophobicContact CB-CG2 3.08Å; A292-L328 HydrophobicContact CB-CD1 3.96Å
293	R	90	Very high	88.3	Confident	129 Å²	129	55.5 Å²	55.5	49%	0.487	30%	0.298	S	S	.	.	H	α-helix	trans	-61.9	-37.3	173	-72.2	-177.7	-178.7	175.5	3.1	111.4	I289 E296 V297 E324	I289-R293 HydrophobicContact CG2-CG 4.36Å; I289-R293 WeakPolarHBondContact O-CB 3.26Å; I289-R293 WeakPolarHBondContact O-CG 3.47Å; I289-R293 PolarHBondContact O-N 3.46Å; R293-E296 WeakPolarHBondContact O-CB 3.32Å; R293-E296 PolarHBondContact O-N 2.88Å; R293-V297 WeakPolarHBondContact O-CG1 3.42Å; R293-V297 PolarHBondContact O-N 3.25Å; R293-E324 IonicContact CZ-OE2 3.29Å; R293-E324 IonicContact NE-OE1 3.65Å; R293-E324 IonicContact NE-OE2 2.6Å; R293-E324 PolarHBondContact NE-OE2 2.74Å; R293-E324 IonicContact NH2-OE2 3.38Å; R293-E324 PolarHBondContact NH2-OE2 2.86Å
294	L	89.7	Confident	88.4	Confident	24 Å²	24	48.4 Å²	48.4	13%	0.126	27%	0.265	C	S	.	.	H	α-helix	trans	-62.1	-43.9	174.2	-173.3	69.6	0	0	0	111.6	I267 A270 R271 L274 A290 S291 A292 E296 V297 T298	I267-L294 HydrophobicContact CD1-CD1 3.56Å; A270-L294 HydrophobicContact CB-CD1 4.26Å; A270-L294 HydrophobicContact CB-CD2 3.77Å; R271-L294 HydrophobicContact CB-CD2 4.03Å; L274-L294 HydrophobicContact CD1-CB 3.95Å; L274-L294 HydrophobicContact CD1-CD2 3.71Å; L274-L294 HydrophobicContact CD1-CG 4.4Å; A290-L294 WeakPolarHBondContact O-CB 3.38Å; A290-L294 PolarHBondContact O-N 3.48Å; S291-L294 PolarHBondContact O-N 3.41Å; A292-L294 VanDerWaalsContact C-N 3.27Å; A292-L294 PolarHBondContact O-N 3.46Å; L294-E296 VanDerWaalsContact C-N 3.33Å; L294-E296 PolarHBondContact O-N 2.94Å; L294-V297 HydrophobicContact CD1-CG2 4.3Å; L294-V297 WeakPolarHBondContact O-CG2 3.31Å; L294-T298 WeakPolarHBondContact O-CG2 3.32Å; L294-T298 PolarHBondContact O-N 3.4Å; L294-T298 PolarHBondContact O-OG1 2.7Å
295	E	87.9	Confident	88.5	Confident	12 Å²	12	47 Å²	47	6%	0.056	26%	0.256	C	S	.	.	H	α-helix	trans	-69.1	-33	177.8	-65.9	-62.2	169.2	0	0	112.4	R271 S291 A292 T298 G299 K300 V303 A304	R271-E295 WeakPolarHBondContact CD-OE1 3.46Å; R271-E295 IonicContact CZ-OE1 3.28Å; R271-E295 IonicContact CZ-OE2 3.19Å; R271-E295 IonicContact NE-OE1 3.87Å; R271-E295 PolarHBondContact NE-OE1 3.4Å; R271-E295 IonicContact NE-OE2 2.69Å; R271-E295 PolarHBondContact NE-OE2 3.04Å; R271-E295 IonicContact NH2-OE1 2.82Å; R271-E295 IonicContact NH2-OE2 3.32Å; R271-E295 PolarHBondContact NH2-OE2 3.3Å; S291-E295 WeakPolarHBondContact O-CG 3.33Å; S291-E295 PolarHBondContact O-N 2.82Å; S291-E295 VanDerWaalsContact O-N 3.15Å; A292-E295 PolarHBondContact O-N 3.08Å; E295-T298 PolarHBondContact O-N 3.3Å; E295-T298 PolarHBondContact O-OG1 2.86Å; E295-G299 PolarHBondContact O-N 3.19Å; E295-K300 PolarHBondContact O-N 3.2Å; E295-V303 HydrophobicContact CG-CG1 4.19Å; E295-A304 HydrophobicContact CB-CB 3.82Å
296	E	88.2	Confident	88.6	Confident	55 Å²	55	50.1 Å²	50.1	26%	0.257	27%	0.271	S	S	.	.	H	α-helix	trans	-62.8	-50.8	173	173.5	-174	-149.1	0	0	112.5	A292 R293 L294 T298 G299 L301 R327 L328	A292-E296 PolarHBondContact O-N 3.17Å; R293-E296 WeakPolarHBondContact O-CB 3.32Å; R293-E296 PolarHBondContact O-N 2.88Å; L294-E296 VanDerWaalsContact C-N 3.33Å; L294-E296 PolarHBondContact O-N 2.94Å; E296-T298 PolarHBondContact O-N 3.45Å; E296-T298 VanDerWaalsContact O-N 3.14Å; E296-G299 WeakPolarHBondContact O-CA 3.24Å; E296-G299 PolarHBondContact O-N 3.21Å; E296-L301 HydrophobicContact CB-CD2 4.18Å; E296-L301 HydrophobicContact CG-CD2 3.81Å; E296-R327 IonicContact OE1-CZ 2.7Å; E296-R327 IonicContact OE1-NH1 2.7Å; E296-R327 PolarHBondContact OE1-NH1 3.5Å; E296-R327 IonicContact OE1-NH2 3.94Å; E296-R327 PolarHBondContact OE1-NH2 3.04Å; E296-R327 IonicContact OE2-CZ 2.62Å; E296-R327 IonicContact OE2-NH1 3.23Å; E296-R327 IonicContact OE2-NH2 2.64Å; E296-R327 PolarHBondContact OE2-NH2 3.07Å; E296-L328 HydrophobicContact CB-CD2 4.18Å; E296-L328 HydrophobicContact CG-CD2 4.19Å
297	V	86.3	Confident	88.6	Confident	65 Å²	65	48 Å²	48	39%	0.394	26%	0.256	S	S	.	.	H	α-helix	trans	-63.1	-23	-179.8	-61.3	0	0	0	0	112	R293 L294 G299	R293-V297 WeakPolarHBondContact O-CG1 3.42Å; R293-V297 PolarHBondContact O-N 3.25Å; L294-V297 HydrophobicContact CD1-CG2 4.3Å; L294-V297 WeakPolarHBondContact O-CG2 3.31Å; V297-G299 VanDerWaalsContact C-N 3.33Å
298	T	80.3	Confident	88.6	Confident	39 Å²	39	48 Å²	48	24%	0.239	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	2.7	174.1	71.1	0	0	0	0	114.1	I267 R271 L294 E295 E296 K300	I267-T298 HydrophobicContact CB-CG2 4.37Å; I267-T298 HydrophobicContact CD1-CG2 3.94Å; I267-T298 HydrophobicContact CG1-CG2 4.18Å; I267-T298 HydrophobicContact CG2-CG2 3.3Å; R271-T298 PolarHBondContact NH2-OG1 2.87Å; L294-T298 WeakPolarHBondContact O-CG2 3.32Å; L294-T298 PolarHBondContact O-N 3.4Å; L294-T298 PolarHBondContact O-OG1 2.7Å; E295-T298 PolarHBondContact O-N 3.3Å; E295-T298 PolarHBondContact O-OG1 2.86Å; E296-T298 PolarHBondContact O-N 3.45Å; E296-T298 VanDerWaalsContact O-N 3.14Å; T298-K300 PolarHBondContact O-N 3.31Å
299	G	76.6	Confident	88.5	Confident	59 Å²	59	49.3 Å²	49.3	61%	0.608	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	1	176.4	0	0	0	0	0	115.6	E295 E296 V297 L301	E295-G299 PolarHBondContact O-N 3.19Å; E296-G299 WeakPolarHBondContact O-CA 3.24Å; E296-G299 PolarHBondContact O-N 3.21Å; V297-G299 VanDerWaalsContact C-N 3.33Å; G299-L301 VanDerWaalsContact C-N 3.32Å; G299-L301 PolarHBondContact O-N 3.41Å; G299-L301 VanDerWaalsContact O-N 3.14Å
300	K	85.1	Confident	88.4	Confident	111 Å²	111	52.9 Å²	52.9	48%	0.483	28%	0.278	S	S	.	.			trans	-90.9	61.6	-179	-65.4	-176.1	-175.1	178.6	0	112	E295 T298 Q302 V303 A304	E295-K300 PolarHBondContact O-N 3.2Å; T298-K300 PolarHBondContact O-N 3.31Å; K300-Q302 VanDerWaalsContact C-N 3.28Å; K300-Q302 PolarHBondContact O-N 2.92Å; K300-V303 HydrophobicContact CB-CB 4.3Å; K300-V303 HydrophobicContact CB-CG2 4.36Å; K300-V303 PolarHBondContact O-N 3.48Å; K300-V303 VanDerWaalsContact O-N 3.11Å; K300-A304 PolarHBondContact O-N 2.93Å; K300-A304 VanDerWaalsContact O-N 3.11Å
301	L	87.7	Confident	88.3	Confident	71 Å²	71	51 Å²	51	37%	0.372	26%	0.262	S	S	.	.	H	α-helix	trans	-55.7	-37.7	-176	-69	173.9	0	0	0	113.8	E296 G299 V303 A304 R305 L328	E296-L301 HydrophobicContact CB-CD2 4.18Å; E296-L301 HydrophobicContact CG-CD2 3.81Å; G299-L301 VanDerWaalsContact C-N 3.32Å; G299-L301 PolarHBondContact O-N 3.41Å; G299-L301 VanDerWaalsContact O-N 3.14Å; L301-V303 PolarHBondContact O-N 2.88Å; L301-A304 WeakPolarHBondContact O-CB 3.23Å; L301-A304 PolarHBondContact O-N 3.12Å; L301-R305 WeakPolarHBondContact O-CB 3.32Å; L301-R305 VanDerWaalsContact O-CG 3.22Å; L301-R305 WeakPolarHBondContact O-CG 3.39Å; L301-R305 PolarHBondContact O-N 3.25Å; L301-L328 HydrophobicContact CD2-CD2 4.37Å
302	Q	90.4	Very high	88.1	Confident	107 Å²	107	51 Å²	51	50%	0.5	26%	0.262	S	S	.	.	H	α-helix	trans	-68.4	-36.1	-179.3	-168.1	58.4	36.8	0	0	112.7	K300 R305 N306	K300-Q302 VanDerWaalsContact C-N 3.28Å; K300-Q302 PolarHBondContact O-N 2.92Å; Q302-R305 PolarHBondContact O-N 3.14Å; Q302-N306 PolarHBondContact NE2-OD1 3.35Å; Q302-N306 VanDerWaalsContact NE2-OD1 3.14Å; Q302-N306 VanDerWaalsContact O-CG 3.3Å; Q302-N306 PolarHBondContact O-N 3.15Å; Q302-N306 PolarHBondContact O-OD1 3.18Å
303	V	90.1	Very high	88	Confident	75 Å²	75	57 Å²	57	46%	0.455	29%	0.29	S	S	.	.	H	α-helix	trans	-68.7	-42.1	175.2	178.8	0	0	0	0	109.8	E295 K300 L301 R305 N306 L307	E295-V303 HydrophobicContact CG-CG1 4.19Å; K300-V303 HydrophobicContact CB-CB 4.3Å; K300-V303 HydrophobicContact CB-CG2 4.36Å; K300-V303 PolarHBondContact O-N 3.48Å; K300-V303 VanDerWaalsContact O-N 3.11Å; L301-V303 PolarHBondContact O-N 2.88Å; V303-R305 VanDerWaalsContact C-N 3.33Å; V303-R305 PolarHBondContact O-N 2.92Å; V303-N306 PolarHBondContact O-N 3.35Å; V303-L307 VanDerWaalsContact O-CB 3.3Å; V303-L307 WeakPolarHBondContact O-CB 3.4Å; V303-L307 PolarHBondContact O-N 3.22Å
304	A	91.1	Very high	87.9	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-56.9	-45.7	173.6	0	0	0	0	0	111.8	A292 E295 K300 L301 L307 I308 L328	A292-A304 HydrophobicContact CB-CB 4.48Å; A292-A304 WeakPolarHBondContact O-CB 3.04Å; E295-A304 HydrophobicContact CB-CB 3.82Å; K300-A304 PolarHBondContact O-N 2.93Å; K300-A304 VanDerWaalsContact O-N 3.11Å; L301-A304 WeakPolarHBondContact O-CB 3.23Å; L301-A304 PolarHBondContact O-N 3.12Å; A304-L307 WeakPolarHBondContact O-CB 3.43Å; A304-L307 PolarHBondContact O-N 3.15Å; A304-I308 WeakPolarHBondContact O-CG1 3.27Å; A304-I308 PolarHBondContact O-N 2.99Å; A304-L328 HydrophobicContact CB-CD1 4.39Å
305	R	90.9	Very high	87.7	Confident	55 Å²	55	52.9 Å²	52.9	21%	0.208	28%	0.277	C	S	.	.	H	α-helix	trans	-60.7	-44.6	177.1	-76.8	171.9	-170.3	163.3	0.3	113.3	L301 Q302 V303 L307 I308 M309 L328	L301-R305 WeakPolarHBondContact O-CB 3.32Å; L301-R305 VanDerWaalsContact O-CG 3.22Å; L301-R305 WeakPolarHBondContact O-CG 3.39Å; L301-R305 PolarHBondContact O-N 3.25Å; Q302-R305 PolarHBondContact O-N 3.14Å; V303-R305 VanDerWaalsContact C-N 3.33Å; V303-R305 PolarHBondContact O-N 2.92Å; R305-L307 VanDerWaalsContact C-N 3.25Å; R305-L307 PolarHBondContact O-N 2.8Å; R305-I308 WeakPolarHBondContact O-CG1 3.48Å; R305-M309 WeakPolarHBondContact O-CB 3.47Å; R305-M309 VanDerWaalsContact O-CG 3.24Å; R305-M309 WeakPolarHBondContact O-CG 3.29Å; R305-M309 PolarHBondContact O-N 3.4Å; R305-M309 VanDerWaalsContact O-N 3.14Å; R305-L328 HydrophobicContact CG-CB 4.47Å; R305-L328 PolarHBondContact NE-O 2.94Å
306	N	90.9	Very high	87.6	Confident	99 Å²	99	54.5 Å²	54.5	53%	0.529	29%	0.289	S	S	.	.	H	α-helix	trans	-66.7	-35.6	177.1	-66.7	-3.1	0	0	0	110.6	Q302 V303 K310	Q302-N306 PolarHBondContact NE2-OD1 3.35Å; Q302-N306 VanDerWaalsContact NE2-OD1 3.14Å; Q302-N306 VanDerWaalsContact O-CG 3.3Å; Q302-N306 PolarHBondContact O-N 3.15Å; Q302-N306 PolarHBondContact O-OD1 3.18Å; V303-N306 PolarHBondContact O-N 3.35Å; N306-K310 PolarHBondContact O-N 3.42Å
307	L	91.3	Very high	87.4	Confident	23 Å²	23	60.8 Å²	60.8	12%	0.12	32%	0.315	C	S	.	.	H	α-helix	trans	-71.4	-42.6	-177.7	-165.8	67.3	0	0	0	113.2	W288 V303 A304 R305 K310 G311	W288-L307 HydrophobicContact CE3-CD1 4.04Å; W288-L307 HydrophobicContact CE3-CG 4.09Å; W288-L307 HydrophobicContact CZ3-CD1 3.68Å; W288-L307 HydrophobicContact CZ3-CG 4.24Å; V303-L307 VanDerWaalsContact O-CB 3.3Å; V303-L307 WeakPolarHBondContact O-CB 3.4Å; V303-L307 PolarHBondContact O-N 3.22Å; A304-L307 WeakPolarHBondContact O-CB 3.43Å; A304-L307 PolarHBondContact O-N 3.15Å; R305-L307 VanDerWaalsContact C-N 3.25Å; R305-L307 PolarHBondContact O-N 2.8Å; L307-K310 PolarHBondContact O-N 2.84Å; L307-G311 PolarHBondContact O-N 3.46Å
308	I	90.5	Very high	87.5	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-68.2	-35.8	173.3	61.4	-160.3	0	0	0	112.3	A292 A304 R305 K310 G311 T312 A325 L328	A292-I308 HydrophobicContact CB-CG2 3.08Å; A304-I308 WeakPolarHBondContact O-CG1 3.27Å; A304-I308 PolarHBondContact O-N 2.99Å; R305-I308 WeakPolarHBondContact O-CG1 3.48Å; I308-K310 VanDerWaalsContact C-N 3.29Å; I308-K310 PolarHBondContact O-N 3.45Å; I308-G311 CarbonylContact O-C 3.45Å; I308-G311 WeakPolarHBondContact O-CA 3.46Å; I308-G311 PolarHBondContact O-N 3.38Å; I308-T312 WeakPolarHBondContact O-CG2 3.47Å; I308-T312 PolarHBondContact O-N 2.95Å; I308-T312 PolarHBondContact O-OG1 2.99Å; I308-A325 HydrophobicContact CB-CB 4.34Å; I308-A325 HydrophobicContact CD1-CB 4.32Å; I308-A325 HydrophobicContact CG1-CB 4.2Å; I308-L328 HydrophobicContact CD1-CB 3.32Å; I308-L328 HydrophobicContact CD1-CD1 3.39Å; I308-L328 HydrophobicContact CD1-CG 3.94Å; I308-L328 HydrophobicContact CG2-CD1 3.79Å
309	M	89.1	Confident	87.8	Confident	48 Å²	48	59.6 Å²	59.6	24%	0.236	31%	0.305	C	S	.	.	H	α-helix	trans	-63.5	-40.8	175.2	-72.7	-56.8	-57.8	0	0	110.4	R305 G311 T312 E313 V337	R305-M309 WeakPolarHBondContact O-CB 3.47Å; R305-M309 VanDerWaalsContact O-CG 3.24Å; R305-M309 WeakPolarHBondContact O-CG 3.29Å; R305-M309 PolarHBondContact O-N 3.4Å; R305-M309 VanDerWaalsContact O-N 3.14Å; M309-G311 VanDerWaalsContact C-N 3.31Å; M309-G311 PolarHBondContact O-N 3.28Å; M309-T312 WeakPolarHBondContact CA-OG1 3.34Å; M309-T312 PolarHBondContact O-N 3.29Å; M309-T312 PolarHBondContact O-OG1 3.45Å; M309-E313 PolarHBondContact O-N 3.11Å; M309-V337 HydrophobicContact CE-CG2 4.19Å; M309-V337 HydrophobicContact SD-CG2 3.65Å
310	K	89.7	Confident	88.4	Confident	95 Å²	95	60.3 Å²	60.3	41%	0.413	30%	0.295	S	S	.	.	H	α-helix	trans	-61.7	-42.2	169.5	-166.7	70.7	-150.1	157.9	0	111.5	W288 N306 L307 I308 T312 E313 M314	W288-K310 HydrophobicContact CH2-CB 4.48Å; W288-K310 HydrophobicContact CH2-CG 3.95Å; W288-K310 HydrophobicContact CZ3-CB 4.06Å; W288-K310 HydrophobicContact CZ3-CG 4.03Å; N306-K310 PolarHBondContact O-N 3.42Å; L307-K310 PolarHBondContact O-N 2.84Å; I308-K310 VanDerWaalsContact C-N 3.29Å; I308-K310 PolarHBondContact O-N 3.45Å; K310-T312 VanDerWaalsContact C-N 3.33Å; K310-T312 PolarHBondContact O-N 3.33Å; K310-E313 IonicContact NZ-OE2 3.9Å; K310-E313 PolarHBondContact NZ-OE2 3.08Å; K310-E313 PolarHBondContact O-N 3.5Å; K310-M314 HydrophobicContact CG-CG 4.49Å; K310-M314 VanDerWaalsContact O-CG 3.26Å; K310-M314 WeakPolarHBondContact O-CG 3.49Å; K310-M314 PolarHBondContact O-N 2.88Å; K310-M314 VanDerWaalsContact O-N 3.1Å
311	G	88.3	Confident	88.8	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-58.5	-39.3	174.5	0	0	0	0	0	113.7	W288 L307 I308 M309 E313 M314 C315	W288-G311 VanDerWaalsContact CD2-CA 3.48Å; L307-G311 PolarHBondContact O-N 3.46Å; I308-G311 CarbonylContact O-C 3.45Å; I308-G311 WeakPolarHBondContact O-CA 3.46Å; I308-G311 PolarHBondContact O-N 3.38Å; M309-G311 VanDerWaalsContact C-N 3.31Å; M309-G311 PolarHBondContact O-N 3.28Å; G311-E313 PolarHBondContact O-N 2.89Å; G311-M314 PolarHBondContact O-N 3.23Å; G311-C315 WeakPolarHBondContact O-CB 3.14Å; G311-C315 PolarHBondContact O-N 3.43Å
312	T	86.2	Confident	88.9	Confident	3 Å²	3	52 Å²	52	2%	0.018	26%	0.256	C	S	.	.	H	α-helix	trans	-67.9	-33.9	178.8	50.5	0	0	0	0	112.6	I308 M309 K310 C315 V321 W322 A325	I308-T312 WeakPolarHBondContact O-CG2 3.47Å; I308-T312 PolarHBondContact O-N 2.95Å; I308-T312 PolarHBondContact O-OG1 2.99Å; M309-T312 WeakPolarHBondContact CA-OG1 3.34Å; M309-T312 PolarHBondContact O-N 3.29Å; M309-T312 PolarHBondContact O-OG1 3.45Å; K310-T312 VanDerWaalsContact C-N 3.33Å; K310-T312 PolarHBondContact O-N 3.33Å; T312-C315 CarbonylContact O-C 3.55Å; T312-V321 HydrophobicContact CG2-CG1 3.76Å; T312-W322 HydrophobicContact CG2-CD2 3.74Å; T312-W322 HydrophobicContact CG2-CE3 3.48Å; T312-W322 VanDerWaalsContact CG2-CE3 3.48Å; T312-W322 HydrophobicContact CG2-CG 4.42Å; T312-W322 HydrophobicContact CG2-CH2 4.14Å; T312-W322 HydrophobicContact CG2-CZ2 4.35Å; T312-W322 HydrophobicContact CG2-CZ3 3.71Å; T312-A325 HydrophobicContact CG2-CB 3.66Å
313	E	87.3	Confident	88.9	Confident	125 Å²	125	48.7 Å²	48.7	58%	0.584	24%	0.241	S	C	*	.	H	α-helix	trans	-70.3	-39.3	173.3	-66	171.7	-176.7	0	0	111.8	M309 K310 G311	M309-E313 PolarHBondContact O-N 3.11Å; K310-E313 IonicContact NZ-OE2 3.9Å; K310-E313 PolarHBondContact NZ-OE2 3.08Å; K310-E313 PolarHBondContact O-N 3.5Å; G311-E313 PolarHBondContact O-N 2.89Å
314	M	87.6	Confident	88.7	Confident	59 Å²	59	45.5 Å²	45.5	29%	0.291	22%	0.221	S	C	.	.	H	α-helix	trans	-79.9	-29.4	-177.1	-61.6	-54.2	-67.3	0	0	113.1	P282 H283 W288 K310 G311 P316	P282-M314 HydrophobicContact CB-CE 3.67Å; H283-M314 PolarHBondContact ND1-O 2.97Å; H283-M314 VanDerWaalsContact ND1-O 3.13Å; W288-M314 HydrophobicContact CH2-CG 4.44Å; W288-M314 HydrophobicContact CZ2-CB 4.19Å; W288-M314 HydrophobicContact CZ2-CG 3.95Å; K310-M314 HydrophobicContact CG-CG 4.49Å; K310-M314 VanDerWaalsContact O-CG 3.26Å; K310-M314 WeakPolarHBondContact O-CG 3.49Å; K310-M314 PolarHBondContact O-N 2.88Å; K310-M314 VanDerWaalsContact O-N 3.1Å; G311-M314 PolarHBondContact O-N 3.23Å; M314-P316 VanDerWaalsContact C-CD 3.48Å; M314-P316 WeakPolarHBondContact O-CD 3.26Å
315	C	86.3	Confident	88.6	Confident	7 Å²	7	45.5 Å²	45.5	5%	0.047	22%	0.221	C	C	.	.			trans	-123.9	71.1	-179.4	-64.4	0	0	0	0	111.2	P282 G311 T312 K317 S318 V321	P282-C315 PolarHBondContact O-SG 3.25Å; G311-C315 WeakPolarHBondContact O-CB 3.14Å; G311-C315 PolarHBondContact O-N 3.43Å; T312-C315 CarbonylContact O-C 3.55Å; C315-K317 VanDerWaalsContact C-N 3.35Å; C315-K317 PolarHBondContact O-N 3.38Å; C315-S318 WeakPolarHBondContact CB-OG 3.5Å; C315-S318 PolarHBondContact O-OG 3.35Å; C315-S318 VanDerWaalsContact O-OG 3.1Å; C315-V321 HydrophobicContact CB-CG2 4.48Å
316	P	84.9	Confident	88.5	Confident	47 Å²	47	42.9 Å²	42.9	31%	0.305	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-26.4	-174.6	27.1	-34.9	0	0	0	113.6	M314 W322	M314-P316 VanDerWaalsContact C-CD 3.48Å; M314-P316 WeakPolarHBondContact O-CD 3.26Å; P316-W322 PolarHBondContact O-NE1 2.91Å
317	K	84.7	Confident	88.6	Confident	186 Å²	186	43 Å²	43	81%	0.809	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-2.6	-173.8	-63.9	-172.8	-179.9	-178.8	0	114.5	C315	C315-K317 VanDerWaalsContact C-N 3.35Å; C315-K317 PolarHBondContact O-N 3.38Å
318	S	88.4	Confident	88.5	Confident	19 Å²	19	42.2 Å²	42.2	13%	0.133	20%	0.201	C	C	.	.			trans	-98.1	120.5	-177.3	56.5	0	0	0	0	112	C315 D320 V321	C315-S318 WeakPolarHBondContact CB-OG 3.5Å; C315-S318 PolarHBondContact O-OG 3.35Å; C315-S318 VanDerWaalsContact O-OG 3.1Å; S318-D320 PolarHBondContact O-N 3.16Å; S318-V321 WeakPolarHBondContact OG-CG2 3.42Å
319	E	87.4	Confident	88.4	Confident	60 Å²	60	43.7 Å²	43.7	28%	0.28	21%	0.207	S	C	.	.	H	α-helix	trans	-60.9	-42.1	179.3	-57.2	-175.2	155.2	0	0	112.7	V321 W322 L323 L345 S348 R350	E319-V321 PolarHBondContact O-N 2.91Å; E319-W322 PolarHBondContact O-N 3.4Å; E319-L323 WeakPolarHBondContact O-CG 3.05Å; E319-L323 PolarHBondContact O-N 2.83Å; E319-L345 HydrophobicContact CB-CD1 4.49Å; E319-L345 HydrophobicContact CG-CD1 3.94Å; E319-S348 WeakPolarHBondContact CG-OG 3.35Å; E319-S348 WeakPolarHBondContact OE1-CB 3.07Å; E319-S348 PolarHBondContact OE1-OG 3.29Å; E319-S348 PolarHBondContact OE2-OG 2.92Å; E319-R350 IonicContact OE2-CZ 2.8Å; E319-R350 VanDerWaalsContact OE2-CZ 3.27Å; E319-R350 IonicContact OE2-NE 3.33Å; E319-R350 PolarHBondContact OE2-NE 3.39Å; E319-R350 IonicContact OE2-NH2 2.71Å; E319-R350 PolarHBondContact OE2-NH2 3Å
320	D	89.6	Confident	88.4	Confident	75 Å²	75	44.4 Å²	44.4	40%	0.401	22%	0.216	S	C	.	.	H	α-helix	trans	-68.2	-32.6	-170.1	-64	-32	0	0	0	113.2	I289 S318 L323 E324 R350	I289-D320 HydrophobicContact CD1-CB 3.65Å; S318-D320 PolarHBondContact O-N 3.16Å; D320-L323 PolarHBondContact O-N 2.81Å; D320-E324 WeakPolarHBondContact O-CB 3.23Å; D320-E324 PolarHBondContact O-N 3Å; D320-R350 IonicContact OD1-CZ 3.12Å; D320-R350 IonicContact OD1-NH1 3.44Å; D320-R350 PolarHBondContact OD1-NH1 3.02Å; D320-R350 IonicContact OD1-NH2 3.94Å; D320-R350 PolarHBondContact OD1-NH2 3.47Å
321	V	91.9	Very high	87.9	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.006	22%	0.215	C	C	.	.	H	α-helix	trans	-67.6	-39.6	175.5	172.7	0	0	0	0	110.5	P285 I289 T312 C315 S318 E319 E324 A325	P285-V321 HydrophobicContact CB-CG2 3.52Å; I289-V321 HydrophobicContact CD1-CG2 4Å; I289-V321 HydrophobicContact CG1-CG2 3.9Å; T312-V321 HydrophobicContact CG2-CG1 3.76Å; C315-V321 HydrophobicContact CB-CG2 4.48Å; S318-V321 WeakPolarHBondContact OG-CG2 3.42Å; E319-V321 PolarHBondContact O-N 2.91Å; V321-E324 PolarHBondContact O-N 2.83Å; V321-A325 VanDerWaalsContact O-CB 3.31Å; V321-A325 WeakPolarHBondContact O-CB 3.47Å; V321-A325 PolarHBondContact O-N 3.47Å
322	W	90.8	Very high	87.8	Confident	6 Å²	6	47.6 Å²	47.6	2%	0.023	25%	0.246	C	C	.	.	H	α-helix	trans	-68.5	-38.1	176.1	-73.6	112.6	0	0	0	112.5	T312 P316 E319 A325 A326 V337 Q340 A341 H344 I351	T312-W322 HydrophobicContact CG2-CD2 3.74Å; T312-W322 HydrophobicContact CG2-CE3 3.48Å; T312-W322 VanDerWaalsContact CG2-CE3 3.48Å; T312-W322 HydrophobicContact CG2-CG 4.42Å; T312-W322 HydrophobicContact CG2-CH2 4.14Å; T312-W322 HydrophobicContact CG2-CZ2 4.35Å; T312-W322 HydrophobicContact CG2-CZ3 3.71Å; P316-W322 PolarHBondContact O-NE1 2.91Å; E319-W322 PolarHBondContact O-N 3.4Å; W322-A325 PolarHBondContact O-N 2.77Å; W322-A326 WeakPolarHBondContact O-CB 3.4Å; W322-A326 PolarHBondContact O-N 2.61Å; W322-V337 HydrophobicContact CE3-CG1 3.81Å; W322-V337 HydrophobicContact CZ3-CG1 3.98Å; W322-V337 WeakPolarHBondContact CZ3-O 3.22Å; W322-Q340 HydrophobicContact CH2-CB 3.75Å; W322-Q340 HydrophobicContact CZ3-CB 3.78Å; W322-A341 HydrophobicContact CB-CB 3.68Å; W322-A341 HydrophobicContact CD2-CB 3.5Å; W322-A341 HydrophobicContact CE3-CB 3.54Å; W322-A341 HydrophobicContact CG-CB 3.58Å; W322-A341 HydrophobicContact CZ3-CB 4.31Å; W322-H344 AromaticContact CZ2-CD2 3.62Å; W322-I351 HydrophobicContact CB-CD1 4.3Å
323	L	89.1	Confident	87.8	Confident	37 Å²	37	50.7 Å²	50.7	19%	0.194	27%	0.265	C	S	.	.	H	α-helix	trans	-64.5	-42.4	173.9	-68.7	173.8	0	0	0	111.5	E319 D320 A325 A326 R327 R350 I351 R354	E319-L323 WeakPolarHBondContact O-CG 3.05Å; E319-L323 PolarHBondContact O-N 2.83Å; D320-L323 PolarHBondContact O-N 2.81Å; L323-A325 VanDerWaalsContact C-N 3.34Å; L323-A326 PolarHBondContact O-N 3.41Å; L323-R327 WeakPolarHBondContact O-CB 3.36Å; L323-R327 PolarHBondContact O-N 3.22Å; L323-R350 HydrophobicContact CD1-CB 3.77Å; L323-R350 HydrophobicContact CD2-CB 4.24Å; L323-I351 HydrophobicContact CD2-CG1 4.2Å; L323-I351 HydrophobicContact CG-CG1 4.49Å; L323-R354 HydrophobicContact CD2-CB 3.85Å; L323-R354 HydrophobicContact CD2-CG 4.33Å
324	E	87.4	Confident	87.9	Confident	8 Å²	8	44.7 Å²	44.7	4%	0.037	24%	0.237	C	C	.	.	H	α-helix	trans	-65.7	-39.2	176.4	-163.8	64.5	-142.7	0	0	111.5	I289 R293 D320 V321 R327 L328	I289-E324 HydrophobicContact CG1-CB 4.31Å; I289-E324 HydrophobicContact CG1-CG 4.49Å; I289-E324 HydrophobicContact CG2-CG 4.17Å; R293-E324 IonicContact CZ-OE2 3.29Å; R293-E324 IonicContact NE-OE1 3.65Å; R293-E324 IonicContact NE-OE2 2.6Å; R293-E324 PolarHBondContact NE-OE2 2.74Å; R293-E324 IonicContact NH2-OE2 3.38Å; R293-E324 PolarHBondContact NH2-OE2 2.86Å; D320-E324 WeakPolarHBondContact O-CB 3.23Å; D320-E324 PolarHBondContact O-N 3Å; V321-E324 PolarHBondContact O-N 2.83Å; E324-R327 PolarHBondContact O-N 2.87Å; E324-R327 IonicContact OE1-CZ 3.52Å; E324-R327 VanDerWaalsContact OE1-CZ 3.27Å; E324-R327 IonicContact OE1-NE 3.97Å; E324-R327 PolarHBondContact OE1-NE 2.88Å; E324-R327 IonicContact OE1-NH2 2.86Å; E324-R327 PolarHBondContact OE1-NH2 3.44Å; E324-R327 IonicContact OE2-NE 2.91Å; E324-L328 HydrophobicContact CG-CD1 4.14Å; E324-L328 PolarHBondContact O-N 2.83Å
325	A	89.5	Confident	87.9	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.5	-45.5	172.6	0	0	0	0	0	112.3	I308 T312 V321 W322 L323 R327 L328 Q329 V337	I308-A325 HydrophobicContact CB-CB 4.34Å; I308-A325 HydrophobicContact CD1-CB 4.32Å; I308-A325 HydrophobicContact CG1-CB 4.2Å; T312-A325 HydrophobicContact CG2-CB 3.66Å; V321-A325 VanDerWaalsContact O-CB 3.31Å; V321-A325 WeakPolarHBondContact O-CB 3.47Å; V321-A325 PolarHBondContact O-N 3.47Å; W322-A325 PolarHBondContact O-N 2.77Å; L323-A325 VanDerWaalsContact C-N 3.34Å; A325-R327 PolarHBondContact O-N 3.12Å; A325-L328 PolarHBondContact O-N 3.25Å; A325-Q329 WeakPolarHBondContact O-CB 3.31Å; A325-Q329 WeakPolarHBondContact O-CG 3.47Å; A325-Q329 PolarHBondContact O-N 2.8Å; A325-V337 HydrophobicContact CB-CG1 3.64Å
326	A	88.6	Confident	88	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.008	26%	0.261	C	S	.	.	H	α-helix	trans	-66.5	-22.7	176.1	0	0	0	0	0	113.5	W322 L323 A334 V338 R354 L358	W322-A326 WeakPolarHBondContact O-CB 3.4Å; W322-A326 PolarHBondContact O-N 2.61Å; L323-A326 PolarHBondContact O-N 3.41Å; A326-A334 WeakPolarHBondContact O-CB 3.5Å; A326-V338 HydrophobicContact CB-CG2 3.5Å; A326-R354 HydrophobicContact CB-CG 4.02Å; A326-L358 HydrophobicContact CB-CD1 4.34Å
327	R	91.9	Very high	88.2	Confident	100 Å²	100	46.3 Å²	46.3	38%	0.377	25%	0.248	S	C	.	.	H	α-helix	trans	-83	-41.4	177.9	-167.7	-168	67.7	77.3	3.3	112.6	E296 L323 E324 A325	E296-R327 IonicContact OE1-CZ 2.7Å; E296-R327 IonicContact OE1-NH1 2.7Å; E296-R327 PolarHBondContact OE1-NH1 3.5Å; E296-R327 IonicContact OE1-NH2 3.94Å; E296-R327 PolarHBondContact OE1-NH2 3.04Å; E296-R327 IonicContact OE2-CZ 2.62Å; E296-R327 IonicContact OE2-NH1 3.23Å; E296-R327 IonicContact OE2-NH2 2.64Å; E296-R327 PolarHBondContact OE2-NH2 3.07Å; L323-R327 WeakPolarHBondContact O-CB 3.36Å; L323-R327 PolarHBondContact O-N 3.22Å; E324-R327 PolarHBondContact O-N 2.87Å; E324-R327 IonicContact OE1-CZ 3.52Å; E324-R327 VanDerWaalsContact OE1-CZ 3.27Å; E324-R327 IonicContact OE1-NE 3.97Å; E324-R327 PolarHBondContact OE1-NE 2.88Å; E324-R327 IonicContact OE1-NH2 2.86Å; E324-R327 PolarHBondContact OE1-NH2 3.44Å; E324-R327 IonicContact OE2-NE 2.91Å; A325-R327 PolarHBondContact O-N 3.12Å
328	L	89.6	Confident	88.4	Confident	8 Å²	8	37.9 Å²	37.9	4%	0.042	21%	0.212	C	C	.	.	H	α-helix	trans	-81.3	-21.7	-174.5	-77.7	171.8	0	0	0	113.8	A292 E296 L301 A304 R305 I308 E324 A325	A292-L328 HydrophobicContact CB-CD1 3.96Å; E296-L328 HydrophobicContact CB-CD2 4.18Å; E296-L328 HydrophobicContact CG-CD2 4.19Å; L301-L328 HydrophobicContact CD2-CD2 4.37Å; A304-L328 HydrophobicContact CB-CD1 4.39Å; R305-L328 HydrophobicContact CG-CB 4.47Å; R305-L328 PolarHBondContact NE-O 2.94Å; I308-L328 HydrophobicContact CD1-CB 3.32Å; I308-L328 HydrophobicContact CD1-CD1 3.39Å; I308-L328 HydrophobicContact CD1-CG 3.94Å; I308-L328 HydrophobicContact CG2-CD1 3.79Å; E324-L328 HydrophobicContact CG-CD1 4.14Å; E324-L328 PolarHBondContact O-N 2.83Å; A325-L328 PolarHBondContact O-N 3.25Å
329	Q	88.2	Confident	88.3	Confident	32 Å²	32	39.7 Å²	39.7	15%	0.15	23%	0.229	C	C	.	.	S	Bend	trans	-81.3	147.7	177.5	-68.2	-64.1	-15.1	0	0	112	A325 T333 A334 V337	A325-Q329 WeakPolarHBondContact O-CB 3.31Å; A325-Q329 WeakPolarHBondContact O-CG 3.47Å; A325-Q329 PolarHBondContact O-N 2.8Å; Q329-T333 PolarHBondContact OE1-OG1 3.13Å; Q329-A334 HydrophobicContact CB-CB 3.99Å; Q329-V337 HydrophobicContact CG-CG2 4.22Å
330	P	88.5	Confident	88.3	Confident	64 Å²	64	41.3 Å²	41.3	42%	0.416	24%	0.236	S	C	.	.			trans	-54.7	148.8	166.4	-24.1	34	0	0	0	112	D332 T333 A334	P330-D332 PolarHBondContact O-N 3.04Å; P330-T333 WeakPolarHBondContact CD-OG1 3.49Å; P330-T333 PolarHBondContact O-N 3.49Å; P330-T333 VanDerWaalsContact O-N 3.11Å; P330-T333 PolarHBondContact O-OG1 3.35Å; P330-T333 VanDerWaalsContact O-OG1 3.09Å; P330-A334 VanDerWaalsContact O-CB 3.31Å; P330-A334 WeakPolarHBondContact O-CB 3.48Å; P330-A334 PolarHBondContact O-N 3.05Å
331	G	80.6	Confident	88.3	Confident	38 Å²	38	37.8 Å²	37.8	39%	0.392	22%	0.218	S	C	.	.	H	α-helix	trans	-52.5	-34.4	-168.7	0	0	0	0	0	115.8	K335	G331-K335 WeakPolarHBondContact O-CG 3.42Å; G331-K335 PolarHBondContact O-N 3.26Å
332	D	84.8	Confident	88	Confident	123 Å²	123	39.2 Å²	39.2	66%	0.658	23%	0.226	S	C	*	.	H	α-helix	trans	-79.8	-37.5	-179.1	-64.6	-38.6	0	0	0	113.6	P330 K335	P330-D332 PolarHBondContact O-N 3.04Å; D332-K335 IonicContact OD1-NZ 2.84Å; D332-K335 PolarHBondContact OD1-NZ 3.01Å
333	T	87.6	Confident	87.9	Confident	68 Å²	68	49.3 Å²	49.3	42%	0.417	27%	0.265	S	S	.	.	H	α-helix	trans	-75.8	-30.1	173.1	58.4	0	0	0	0	111.2	Q329 P330 K335 A336 V337	Q329-T333 PolarHBondContact OE1-OG1 3.13Å; P330-T333 WeakPolarHBondContact CD-OG1 3.49Å; P330-T333 PolarHBondContact O-N 3.49Å; P330-T333 VanDerWaalsContact O-N 3.11Å; P330-T333 PolarHBondContact O-OG1 3.35Å; P330-T333 VanDerWaalsContact O-OG1 3.09Å; T333-K335 VanDerWaalsContact C-N 3.28Å; T333-K335 PolarHBondContact O-N 3.4Å; T333-A336 WeakPolarHBondContact O-CB 3.42Å; T333-A336 PolarHBondContact O-N 3.44Å; T333-A336 VanDerWaalsContact O-N 3.11Å; T333-V337 WeakPolarHBondContact O-CG2 3.05Å; T333-V337 PolarHBondContact O-N 2.91Å
334	A	88.6	Confident	87.8	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.2	-36.6	173.4	0	0	0	0	0	112	A326 Q329 P330 A336 V337 V338 L358	A326-A334 WeakPolarHBondContact O-CB 3.5Å; Q329-A334 HydrophobicContact CB-CB 3.99Å; P330-A334 VanDerWaalsContact O-CB 3.31Å; P330-A334 WeakPolarHBondContact O-CB 3.48Å; P330-A334 PolarHBondContact O-N 3.05Å; A334-A336 VanDerWaalsContact C-N 3.32Å; A334-A336 PolarHBondContact O-N 3.06Å; A334-V337 PolarHBondContact O-N 3.45Å; A334-V338 WeakPolarHBondContact O-CB 3.29Å; A334-V338 WeakPolarHBondContact O-CG2 3.44Å; A334-V338 PolarHBondContact O-N 3.09Å; A334-L358 HydrophobicContact CB-CD1 3.74Å; A334-L358 HydrophobicContact CB-CD2 3.92Å; A334-L358 HydrophobicContact CB-CG 4.49Å
335	K	87.6	Confident	87.7	Confident	82 Å²	82	53.4 Å²	53.4	36%	0.357	28%	0.283	S	S	.	.	H	α-helix	trans	-59.4	-41.8	173.1	-69.5	163.6	-168	162.3	0	112	G331 D332 T333 V338 A339 L358	G331-K335 WeakPolarHBondContact O-CG 3.42Å; G331-K335 PolarHBondContact O-N 3.26Å; D332-K335 IonicContact OD1-NZ 2.84Å; D332-K335 PolarHBondContact OD1-NZ 3.01Å; T333-K335 VanDerWaalsContact C-N 3.28Å; T333-K335 PolarHBondContact O-N 3.4Å; K335-V338 PolarHBondContact O-N 3.12Å; K335-A339 WeakPolarHBondContact O-CB 3.4Å; K335-A339 PolarHBondContact O-N 2.9Å; K335-L358 WeakPolarHBondContact CE-O 3.5Å
336	A	89.1	Confident	87.5	Confident	58 Å²	58	55.8 Å²	55.8	48%	0.479	30%	0.299	S	S	.	.	H	α-helix	trans	-66.8	-40	176.7	0	0	0	0	0	111.9	T333 A334 A339 Q340	T333-A336 WeakPolarHBondContact O-CB 3.42Å; T333-A336 PolarHBondContact O-N 3.44Å; T333-A336 VanDerWaalsContact O-N 3.11Å; A334-A336 VanDerWaalsContact C-N 3.32Å; A334-A336 PolarHBondContact O-N 3.06Å; A336-A339 WeakPolarHBondContact O-CB 3.35Å; A336-A339 PolarHBondContact O-N 3.13Å; A336-Q340 WeakPolarHBondContact O-CG 3.44Å; A336-Q340 PolarHBondContact O-N 2.97Å
337	V	89	Confident	87.3	Confident	6 Å²	6	61.6 Å²	61.6	4%	0.036	33%	0.326	C	S	.	.	H	α-helix	trans	-62.2	-43.9	174.1	172.1	0	0	0	0	111	M309 W322 A325 Q329 T333 A334 A339 Q340 A341	M309-V337 HydrophobicContact CE-CG2 4.19Å; M309-V337 HydrophobicContact SD-CG2 3.65Å; W322-V337 HydrophobicContact CE3-CG1 3.81Å; W322-V337 HydrophobicContact CZ3-CG1 3.98Å; W322-V337 WeakPolarHBondContact CZ3-O 3.22Å; A325-V337 HydrophobicContact CB-CG1 3.64Å; Q329-V337 HydrophobicContact CG-CG2 4.22Å; T333-V337 WeakPolarHBondContact O-CG2 3.05Å; T333-V337 PolarHBondContact O-N 2.91Å; A334-V337 PolarHBondContact O-N 3.45Å; V337-A339 VanDerWaalsContact C-N 3.34Å; V337-A339 PolarHBondContact O-N 3.42Å; V337-Q340 WeakPolarHBondContact O-CB 3.34Å; V337-Q340 PolarHBondContact O-N 2.88Å; V337-A341 WeakPolarHBondContact O-CB 3.3Å; V337-A341 PolarHBondContact O-N 3.49Å
338	V	87.9	Confident	87.1	Confident	9 Å²	9	56.9 Å²	56.9	6%	0.055	31%	0.308	C	S	.	.	H	α-helix	trans	-66.7	-36.4	176.8	170.9	0	0	0	0	111.7	A326 A334 K335 Q340 A341 V342 I351 A355 L358	A326-V338 HydrophobicContact CB-CG2 3.5Å; A334-V338 WeakPolarHBondContact O-CB 3.29Å; A334-V338 WeakPolarHBondContact O-CG2 3.44Å; A334-V338 PolarHBondContact O-N 3.09Å; K335-V338 PolarHBondContact O-N 3.12Å; V338-Q340 VanDerWaalsContact C-N 3.31Å; V338-Q340 PolarHBondContact O-N 3.29Å; V338-A341 WeakPolarHBondContact O-CB 3.4Å; V338-A341 PolarHBondContact O-N 3.04Å; V338-A341 VanDerWaalsContact O-N 3.15Å; V338-V342 HydrophobicContact CG1-CG1 4.46Å; V338-V342 WeakPolarHBondContact O-CG2 3.49Å; V338-V342 PolarHBondContact O-N 2.95Å; V338-I351 HydrophobicContact CG1-CG2 3.99Å; V338-A355 HydrophobicContact CG1-CB 3.46Å; V338-A355 VanDerWaalsContact CG1-CB 3.46Å; V338-L358 HydrophobicContact CG2-CD1 3.73Å
339	A	86.8	Confident	87	Confident	58 Å²	58	57.9 Å²	57.9	48%	0.479	32%	0.315	S	S	.	.	H	α-helix	trans	-62.4	-37.8	173.1	0	0	0	0	0	112.3	K335 A336 V337 V342 R343	K335-A339 WeakPolarHBondContact O-CB 3.4Å; K335-A339 PolarHBondContact O-N 2.9Å; A336-A339 WeakPolarHBondContact O-CB 3.35Å; A336-A339 PolarHBondContact O-N 3.13Å; V337-A339 VanDerWaalsContact C-N 3.34Å; V337-A339 PolarHBondContact O-N 3.42Å; A339-V342 VanDerWaalsContact O-CG2 3.29Å; A339-V342 WeakPolarHBondContact O-CG2 3.32Å; A339-R343 PolarHBondContact O-N 3.48Å
340	Q	87.9	Confident	87	Confident	93 Å²	93	61 Å²	61	44%	0.435	33%	0.325	S	S	.	.	H	α-helix	trans	-68.1	-41.8	171.3	-68.9	175.9	-7	0	0	111.2	W322 A336 V337 V338 V342 R343 H344	W322-Q340 HydrophobicContact CH2-CB 3.75Å; W322-Q340 HydrophobicContact CZ3-CB 3.78Å; A336-Q340 WeakPolarHBondContact O-CG 3.44Å; A336-Q340 PolarHBondContact O-N 2.97Å; V337-Q340 WeakPolarHBondContact O-CB 3.34Å; V337-Q340 PolarHBondContact O-N 2.88Å; V338-Q340 VanDerWaalsContact C-N 3.31Å; V338-Q340 PolarHBondContact O-N 3.29Å; Q340-V342 PolarHBondContact O-N 3.47Å; Q340-R343 WeakPolarHBondContact O-CB 3.35Å; Q340-R343 PolarHBondContact O-N 3.42Å; Q340-H344 PolarHBondContact O-CD2 2.92Å; Q340-H344 PolarHBondContact O-N 3.25Å; Q340-H344 VanDerWaalsContact O-N 3.14Å
341	A	88.6	Confident	87	Confident	1 Å²	1	58 Å²	58	1%	0.008	31%	0.306	C	S	.	.	H	α-helix	trans	-60.2	-47.4	179.6	0	0	0	0	0	112.3	W322 V337 V338 R343 H344 L345 I351	W322-A341 HydrophobicContact CB-CB 3.68Å; W322-A341 HydrophobicContact CD2-CB 3.5Å; W322-A341 HydrophobicContact CE3-CB 3.54Å; W322-A341 HydrophobicContact CG-CB 3.58Å; W322-A341 HydrophobicContact CZ3-CB 4.31Å; V337-A341 WeakPolarHBondContact O-CB 3.3Å; V337-A341 PolarHBondContact O-N 3.49Å; V338-A341 WeakPolarHBondContact O-CB 3.4Å; V338-A341 PolarHBondContact O-N 3.04Å; V338-A341 VanDerWaalsContact O-N 3.15Å; A341-R343 VanDerWaalsContact C-N 3.26Å; A341-R343 PolarHBondContact O-N 2.91Å; A341-H344 PolarHBondContact O-N 3.39Å; A341-H344 VanDerWaalsContact O-N 3.15Å; A341-L345 PolarHBondContact O-N 3.44Å; A341-I351 HydrophobicContact CB-CD1 4.08Å; A341-I351 HydrophobicContact CB-CG2 3.8Å
342	V	86.6	Confident	87.5	Confident	32 Å²	32	56.8 Å²	56.8	19%	0.194	29%	0.289	C	S	.	.	H	α-helix	trans	-67.4	-25.7	177.6	-60.7	0	0	0	0	112.7	V338 A339 Q340 L345 P346 I351 Y352	V338-V342 HydrophobicContact CG1-CG1 4.46Å; V338-V342 WeakPolarHBondContact O-CG2 3.49Å; V338-V342 PolarHBondContact O-N 2.95Å; A339-V342 VanDerWaalsContact O-CG2 3.29Å; A339-V342 WeakPolarHBondContact O-CG2 3.32Å; Q340-V342 PolarHBondContact O-N 3.47Å; V342-L345 CarbonylContact O-C 3.43Å; V342-P346 WeakPolarHBondContact O-CA 3.37Å; V342-I351 HydrophobicContact CG1-CG2 3.63Å; V342-Y352 HydrophobicContact CB-CE1 4.19Å; V342-Y352 HydrophobicContact CG1-CD1 4.05Å; V342-Y352 HydrophobicContact CG1-CE1 3.63Å; V342-Y352 HydrophobicContact CG1-CE2 4.29Å
343	R	88.3	Confident	87.7	Confident	218 Å²	218	51.7 Å²	51.7	82%	0.823	26%	0.262	S	S	*	.	H	α-helix	trans	-68.8	-36.7	172.9	-174.2	177.7	-176.8	171.4	1.5	111.7	A339 Q340 A341	A339-R343 PolarHBondContact O-N 3.48Å; Q340-R343 WeakPolarHBondContact O-CB 3.35Å; Q340-R343 PolarHBondContact O-N 3.42Å; A341-R343 VanDerWaalsContact C-N 3.26Å; A341-R343 PolarHBondContact O-N 2.91Å
344	H	86.4	Confident	87.6	Confident	102 Å²	102	51.7 Å²	51.7	47%	0.472	25%	0.254	S	S	.	.	H	α-helix	trans	-82.5	-33.3	176.4	-73.8	-70.9	0	0	0	112.8	W322 Q340 A341	W322-H344 AromaticContact CZ2-CD2 3.62Å; Q340-H344 PolarHBondContact O-CD2 2.92Å; Q340-H344 PolarHBondContact O-N 3.25Å; Q340-H344 VanDerWaalsContact O-N 3.14Å; A341-H344 PolarHBondContact O-N 3.39Å; A341-H344 VanDerWaalsContact O-N 3.15Å
345	L	86.6	Confident	87.6	Confident	28 Å²	28	52.2 Å²	52.2	15%	0.147	26%	0.259	C	S	.	.			trans	-134.1	76.1	-174.3	-66.5	170.8	0	0	0	111	E319 A341 V342 Q347 S348 I351	E319-L345 HydrophobicContact CB-CD1 4.49Å; E319-L345 HydrophobicContact CG-CD1 3.94Å; A341-L345 PolarHBondContact O-N 3.44Å; V342-L345 CarbonylContact O-C 3.43Å; L345-Q347 VanDerWaalsContact C-N 3.25Å; L345-Q347 PolarHBondContact O-N 3.44Å; L345-S348 PolarHBondContact O-N 2.85Å; L345-I351 HydrophobicContact CB-CD1 4Å; L345-I351 HydrophobicContact CD1-CD1 4.07Å
346	P	84.3	Confident	87.5	Confident	51 Å²	51	48.7 Å²	48.7	33%	0.331	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-17.5	-178.7	29.1	-35.8	0	0	0	113.3	V342 Y352 H375	V342-P346 WeakPolarHBondContact O-CA 3.37Å; P346-Y352 WeakPolarHBondContact O-CE2 3.46Å; P346-H375 WeakPolarHBondContact O-CB 3.31Å
347	Q	84.6	Confident	87.5	Confident	122 Å²	122	51 Å²	51	57%	0.57	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	3.2	-178.9	-66.6	-65.2	-38.5	0	0	113.3	L345 V349 H375 V376	L345-Q347 VanDerWaalsContact C-N 3.25Å; L345-Q347 PolarHBondContact O-N 3.44Å; Q347-V349 PolarHBondContact O-N 2.87Å; Q347-H375 PolarHBondContact NE2-O 2.95Å; Q347-H375 PolarHBondContact OE1-O 3.42Å; Q347-V376 VanDerWaalsContact CA-CG2 3.5Å; Q347-V376 HydrophobicContact CB-CG2 4.4Å
348	S	87.3	Confident	87.3	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.007	25%	0.249	C	C	.	.			trans	-89.5	110.4	-172.8	-171.6	0	0	0	0	113.3	E319 L345 R350 Y352	E319-S348 WeakPolarHBondContact CG-OG 3.35Å; E319-S348 WeakPolarHBondContact OE1-CB 3.07Å; E319-S348 PolarHBondContact OE1-OG 3.29Å; E319-S348 PolarHBondContact OE2-OG 2.92Å; L345-S348 PolarHBondContact O-N 2.85Å; S348-R350 PolarHBondContact O-N 2.87Å; S348-Y352 WeakPolarHBondContact O-CD2 3.27Å
349	V	87.4	Confident	87.2	Confident	30 Å²	30	53.2 Å²	53.2	18%	0.182	26%	0.255	C	S	.	.	H	α-helix	trans	-63.3	-40.4	178.9	172.3	0	0	0	0	112.7	Q347 I351 Y352 I353 V376 S379 R381 L382	Q347-V349 PolarHBondContact O-N 2.87Å; V349-I351 VanDerWaalsContact C-N 3.32Å; V349-I351 PolarHBondContact O-N 3.37Å; V349-Y352 PolarHBondContact O-N 2.88Å; V349-I353 HydrophobicContact CG1-CD1 3.72Å; V349-I353 HydrophobicContact CG1-CG1 4.44Å; V349-I353 WeakPolarHBondContact O-CG1 3.41Å; V349-I353 PolarHBondContact O-N 2.84Å; V349-I353 VanDerWaalsContact O-N 3.13Å; V349-V376 HydrophobicContact CG2-CG1 3.96Å; V349-S379 WeakPolarHBondContact CG2-OG 3.45Å; V349-R381 HydrophobicContact CG1-CB 4.05Å; V349-L382 HydrophobicContact CB-CG 4.36Å; V349-L382 HydrophobicContact CG1-CD2 3.88Å; V349-L382 HydrophobicContact CG1-CG 3.73Å; V349-L382 HydrophobicContact CG2-CD1 4.24Å; V349-L382 HydrophobicContact CG2-CG 4.27Å
350	R	88.3	Confident	87.1	Confident	97 Å²	97	56.1 Å²	56.1	37%	0.366	27%	0.267	S	S	.	.	H	α-helix	trans	-66.3	-36.2	-174.7	-66	-175	-74	167.7	-1.9	112.1	E319 D320 L323 S348 I353 R354	E319-R350 IonicContact OE2-CZ 2.8Å; E319-R350 VanDerWaalsContact OE2-CZ 3.27Å; E319-R350 IonicContact OE2-NE 3.33Å; E319-R350 PolarHBondContact OE2-NE 3.39Å; E319-R350 IonicContact OE2-NH2 2.71Å; E319-R350 PolarHBondContact OE2-NH2 3Å; D320-R350 IonicContact OD1-CZ 3.12Å; D320-R350 IonicContact OD1-NH1 3.44Å; D320-R350 PolarHBondContact OD1-NH1 3.02Å; D320-R350 IonicContact OD1-NH2 3.94Å; D320-R350 PolarHBondContact OD1-NH2 3.47Å; L323-R350 HydrophobicContact CD1-CB 3.77Å; L323-R350 HydrophobicContact CD2-CB 4.24Å; S348-R350 PolarHBondContact O-N 2.87Å; R350-I353 PolarHBondContact O-N 3.12Å; R350-R354 PolarHBondContact O-N 3.27Å
351	I	89.8	Confident	87.2	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-66.4	-43.3	179.5	-61.8	176.3	0	0	0	110.4	W322 L323 V338 A341 V342 L345 V349 R354 A355	W322-I351 HydrophobicContact CB-CD1 4.3Å; L323-I351 HydrophobicContact CD2-CG1 4.2Å; L323-I351 HydrophobicContact CG-CG1 4.49Å; V338-I351 HydrophobicContact CG1-CG2 3.99Å; A341-I351 HydrophobicContact CB-CD1 4.08Å; A341-I351 HydrophobicContact CB-CG2 3.8Å; V342-I351 HydrophobicContact CG1-CG2 3.63Å; L345-I351 HydrophobicContact CB-CD1 4Å; L345-I351 HydrophobicContact CD1-CD1 4.07Å; V349-I351 VanDerWaalsContact C-N 3.32Å; V349-I351 PolarHBondContact O-N 3.37Å; I351-R354 PolarHBondContact O-N 3.35Å; I351-A355 WeakPolarHBondContact O-CB 3.49Å; I351-A355 PolarHBondContact O-N 3.37Å
352	Y	90.1	Very high	87.3	Confident	11 Å²	11	61.3 Å²	61.3	4%	0.043	30%	0.297	C	S	.	.	H	α-helix	trans	-67.1	-35.2	176.8	-75	-69.2	0	0	0	113.6	V342 P346 S348 V349 A355 A356 A372 H375	V342-Y352 HydrophobicContact CB-CE1 4.19Å; V342-Y352 HydrophobicContact CG1-CD1 4.05Å; V342-Y352 HydrophobicContact CG1-CE1 3.63Å; V342-Y352 HydrophobicContact CG1-CE2 4.29Å; P346-Y352 WeakPolarHBondContact O-CE2 3.46Å; S348-Y352 WeakPolarHBondContact O-CD2 3.27Å; V349-Y352 PolarHBondContact O-N 2.88Å; Y352-A355 VanDerWaalsContact O-CB 3.28Å; Y352-A355 WeakPolarHBondContact O-CB 3.43Å; Y352-A355 PolarHBondContact O-N 2.96Å; Y352-A356 PolarHBondContact O-N 2.95Å; Y352-A372 VanDerWaalsContact CB-CB 3.47Å; Y352-A372 HydrophobicContact CD1-CB 3.46Å; Y352-A372 VanDerWaalsContact CD1-CB 3.46Å; Y352-A372 HydrophobicContact CD2-CB 3.83Å; Y352-A372 HydrophobicContact CE1-CB 4.11Å; Y352-A372 HydrophobicContact CE2-CB 4.45Å; Y352-A372 HydrophobicContact CG-CB 3.3Å; Y352-H375 HydrophobicContact CE2-CB 4.46Å; Y352-H375 AromaticContact CZ-CD2 3.9Å; Y352-H375 PolarHBondContact OH-CD2 2.88Å
353	I	88.9	Confident	87.4	Confident	17 Å²	17	70.1 Å²	70.1	9%	0.087	33%	0.327	C	S	.	.	H	α-helix	trans	-66.1	-44.4	173.9	-65.4	168.8	0	0	0	109.8	V349 R350 A355 A356 E357 R381 L382	V349-I353 HydrophobicContact CG1-CD1 3.72Å; V349-I353 HydrophobicContact CG1-CG1 4.44Å; V349-I353 WeakPolarHBondContact O-CG1 3.41Å; V349-I353 PolarHBondContact O-N 2.84Å; V349-I353 VanDerWaalsContact O-N 3.13Å; R350-I353 PolarHBondContact O-N 3.12Å; I353-A355 VanDerWaalsContact C-N 3.25Å; I353-A355 PolarHBondContact O-N 3.11Å; I353-A356 WeakPolarHBondContact O-CB 3.28Å; I353-A356 PolarHBondContact O-N 3.18Å; I353-A356 VanDerWaalsContact O-N 3.09Å; I353-E357 WeakPolarHBondContact O-CG 3.36Å; I353-E357 PolarHBondContact O-N 3.35Å; I353-R381 HydrophobicContact CD1-CB 4.15Å; I353-R381 HydrophobicContact CD1-CG 3.45Å; I353-R381 VanDerWaalsContact CD1-CG 3.45Å; I353-L382 HydrophobicContact CD1-CD2 4.33Å; I353-L382 HydrophobicContact CG1-CD2 3.77Å
354	R	86.3	Confident	87.4	Confident	68 Å²	68	60.3 Å²	60.3	26%	0.257	29%	0.292	S	S	.	.	H	α-helix	trans	-62.5	-36.1	175.1	-174.8	57.4	-174.9	170.4	4.4	111.9	L323 A326 R350 I351 A356 E357 L358	L323-R354 HydrophobicContact CD2-CB 3.85Å; L323-R354 HydrophobicContact CD2-CG 4.33Å; A326-R354 HydrophobicContact CB-CG 4.02Å; R350-R354 PolarHBondContact O-N 3.27Å; I351-R354 PolarHBondContact O-N 3.35Å; R354-A356 VanDerWaalsContact C-N 3.34Å; R354-E357 WeakPolarHBondContact CD-OE2 3.32Å; R354-E357 IonicContact CZ-OE2 3.36Å; R354-E357 IonicContact NH1-OE2 3.39Å; R354-E357 PolarHBondContact NH1-OE2 2.95Å; R354-E357 PolarHBondContact O-N 3.42Å; R354-L358 HydrophobicContact CG-CD1 4.37Å; R354-L358 VanDerWaalsContact O-CG 3.28Å; R354-L358 WeakPolarHBondContact O-CG 3.44Å; R354-L358 PolarHBondContact O-N 3.05Å
355	A	87.5	Confident	87.5	Confident	11 Å²	11	57.9 Å²	57.9	9%	0.091	28%	0.28	C	S	.	.	H	α-helix	trans	-58.5	-46	172.3	0	0	0	0	0	111.4	V338 I351 Y352 I353 E357 L358 E359 V368	V338-A355 HydrophobicContact CG1-CB 3.46Å; V338-A355 VanDerWaalsContact CG1-CB 3.46Å; I351-A355 WeakPolarHBondContact O-CB 3.49Å; I351-A355 PolarHBondContact O-N 3.37Å; Y352-A355 VanDerWaalsContact O-CB 3.28Å; Y352-A355 WeakPolarHBondContact O-CB 3.43Å; Y352-A355 PolarHBondContact O-N 2.96Å; I353-A355 VanDerWaalsContact C-N 3.25Å; I353-A355 PolarHBondContact O-N 3.11Å; A355-E357 VanDerWaalsContact C-N 3.35Å; A355-E357 PolarHBondContact O-N 3.46Å; A355-L358 PolarHBondContact O-N 2.99Å; A355-E359 PolarHBondContact O-N 3.38Å; A355-V368 HydrophobicContact CB-CG1 3.56Å
356	A	86.6	Confident	87.6	Confident	8 Å²	8	58.5 Å²	58.5	7%	0.066	28%	0.282	C	S	.	.	H	α-helix	trans	-66.6	-33.5	177.3	0	0	0	0	0	112.6	Y352 I353 R354 K365 L369	Y352-A356 PolarHBondContact O-N 2.95Å; I353-A356 WeakPolarHBondContact O-CB 3.28Å; I353-A356 PolarHBondContact O-N 3.18Å; I353-A356 VanDerWaalsContact O-N 3.09Å; R354-A356 VanDerWaalsContact C-N 3.34Å; A356-K365 WeakPolarHBondContact O-CD 3.25Å; A356-K365 WeakPolarHBondContact O-CE 3.15Å; A356-K365 VanDerWaalsContact O-CG 3.27Å; A356-K365 WeakPolarHBondContact O-CG 3.4Å; A356-L369 HydrophobicContact CB-CD1 3.9Å; A356-L369 HydrophobicContact CB-CD2 3.95Å; A356-L369 HydrophobicContact CB-CG 3.84Å
357	E	87.6	Confident	87.8	Confident	106 Å²	106	64.1 Å²	64.1	50%	0.495	30%	0.296	S	S	.	.	H	α-helix	trans	-69.9	-32.7	174.4	-70.9	171.1	-173.7	0	0	113.2	I353 R354 A355 E359	I353-E357 WeakPolarHBondContact O-CG 3.36Å; I353-E357 PolarHBondContact O-N 3.35Å; R354-E357 WeakPolarHBondContact CD-OE2 3.32Å; R354-E357 IonicContact CZ-OE2 3.36Å; R354-E357 IonicContact NH1-OE2 3.39Å; R354-E357 PolarHBondContact NH1-OE2 2.95Å; R354-E357 PolarHBondContact O-N 3.42Å; A355-E357 VanDerWaalsContact C-N 3.35Å; A355-E357 PolarHBondContact O-N 3.46Å; E357-E359 VanDerWaalsContact C-N 3.28Å; E357-E359 PolarHBondContact O-N 3.13Å
358	L	86.3	Confident	88	Confident	22 Å²	22	59.5 Å²	59.5	12%	0.115	28%	0.276	C	S	.	.	H	α-helix	trans	-75.1	-17.1	-179.5	-74.5	172.2	0	0	0	113.5	A326 A334 K335 V338 R354 A355	A326-L358 HydrophobicContact CB-CD1 4.34Å; A334-L358 HydrophobicContact CB-CD1 3.74Å; A334-L358 HydrophobicContact CB-CD2 3.92Å; A334-L358 HydrophobicContact CB-CG 4.49Å; K335-L358 WeakPolarHBondContact CE-O 3.5Å; V338-L358 HydrophobicContact CG2-CD1 3.73Å; R354-L358 HydrophobicContact CG-CD1 4.37Å; R354-L358 VanDerWaalsContact O-CG 3.28Å; R354-L358 WeakPolarHBondContact O-CG 3.44Å; R354-L358 PolarHBondContact O-N 3.05Å; A355-L358 PolarHBondContact O-N 2.99Å
359	E	84.5	Confident	88	Confident	40 Å²	40	59.5 Å²	59.5	19%	0.187	28%	0.276	C	S	.	.			trans	-87.8	132.1	173.4	-68	-178.1	152.8	0	0	109.7	A355 E357 A364 K365 V368	A355-E359 PolarHBondContact O-N 3.38Å; E357-E359 VanDerWaalsContact C-N 3.28Å; E357-E359 PolarHBondContact O-N 3.13Å; E359-A364 HydrophobicContact CB-CB 4.13Å; E359-A364 VanDerWaalsContact CD-CB 3.49Å; E359-A364 HydrophobicContact CG-CB 4.17Å; E359-A364 VanDerWaalsContact OE2-CB 3.3Å; E359-A364 WeakPolarHBondContact OE2-CB 3.24Å; E359-K365 HydrophobicContact CB-CG 3.96Å; E359-K365 WeakPolarHBondContact O-CE 3.21Å; E359-K365 VanDerWaalsContact OE2-CA 3.27Å; E359-K365 WeakPolarHBondContact OE2-CA 3.16Å; E359-K365 PolarHBondContact OE2-N 3.15Å; E359-V368 WeakPolarHBondContact OE1-CG2 3.12Å; E359-V368 WeakPolarHBondContact OE2-CG2 3.3Å
360	T	84.9	Confident	88	Confident	119 Å²	119	64.5 Å²	64.5	73%	0.73	29%	0.292	S	S	*	.			trans	-81.2	-30.5	175.5	49.1	0	0	0	0	111.5
361	D	91.5	Very high	87.9	Confident	104 Å²	104	66 Å²	66	56%	0.556	30%	0.301	S	S	*	.	S	Bend	trans	-90.8	126.2	-169.3	-56.7	-10.4	0	0	0	111.3	R363 A364 K365	D361-R363 PolarHBondContact O-N 3.21Å; D361-A364 HydrophobicContact CB-CB 4.14Å; D361-A364 WeakPolarHBondContact O-CB 3.32Å; D361-A364 PolarHBondContact O-N 3.4Å; D361-K365 WeakPolarHBondContact O-CG 3.27Å; D361-K365 PolarHBondContact O-N 2.8Å
362	I	89.5	Confident	87.9	Confident	99 Å²	99	65.9 Å²	65.9	51%	0.508	30%	0.3	S	S	.	.	H	α-helix	trans	-57.5	-37.8	-178.7	-56.2	175.2	0	0	0	111.7	A364 K365 K366 L389	I362-A364 VanDerWaalsContact C-N 3.33Å; I362-A364 PolarHBondContact O-N 3.33Å; I362-K365 PolarHBondContact O-N 3.42Å; I362-K366 HydrophobicContact CG2-CD 4.38Å; I362-K366 HydrophobicContact CG2-CG 4.47Å; I362-K366 WeakPolarHBondContact O-CG 3.43Å; I362-K366 PolarHBondContact O-N 3.31Å; I362-L389 HydrophobicContact CG2-CB 4.41Å
363	R	88.5	Confident	87.7	Confident	217 Å²	217	66.1 Å²	66.1	82%	0.819	30%	0.302	S	S	*	.	H	α-helix	trans	-64.4	-37.3	177.3	-65.5	-179.6	-177.9	169.8	0.8	112.5	D361 R367	D361-R363 PolarHBondContact O-N 3.21Å; R363-R367 WeakPolarHBondContact O-CG 3.45Å; R363-R367 PolarHBondContact O-N 3.43Å
364	A	88.1	Confident	87.7	Confident	11 Å²	11	72.7 Å²	72.7	9%	0.091	33%	0.333	C	S	.	.	H	α-helix	trans	-67.9	-48.1	175.4	0	0	0	0	0	109.4	E359 D361 I362 K366 R367 V368	E359-A364 HydrophobicContact CB-CB 4.13Å; E359-A364 VanDerWaalsContact CD-CB 3.49Å; E359-A364 HydrophobicContact CG-CB 4.17Å; E359-A364 VanDerWaalsContact OE2-CB 3.3Å; E359-A364 WeakPolarHBondContact OE2-CB 3.24Å; D361-A364 HydrophobicContact CB-CB 4.14Å; D361-A364 WeakPolarHBondContact O-CB 3.32Å; D361-A364 PolarHBondContact O-N 3.4Å; I362-A364 VanDerWaalsContact C-N 3.33Å; I362-A364 PolarHBondContact O-N 3.33Å; A364-K366 VanDerWaalsContact C-N 3.3Å; A364-K366 PolarHBondContact O-N 3.16Å; A364-R367 WeakPolarHBondContact O-CA 3.33Å; A364-R367 WeakPolarHBondContact O-CB 3.46Å; A364-R367 PolarHBondContact O-N 3.24Å; A364-V368 PolarHBondContact O-N 3.19Å
365	K	88.9	Confident	87.7	Confident	52 Å²	52	73.4 Å²	73.4	23%	0.226	34%	0.339	C	S	.	.	H	α-helix	trans	-54.5	-45.9	178.6	-63.8	-171.4	-178.9	-170.6	0	112.1	A356 E359 D361 I362 R367 V368 L369 L389	A356-K365 WeakPolarHBondContact O-CD 3.25Å; A356-K365 WeakPolarHBondContact O-CE 3.15Å; A356-K365 VanDerWaalsContact O-CG 3.27Å; A356-K365 WeakPolarHBondContact O-CG 3.4Å; E359-K365 HydrophobicContact CB-CG 3.96Å; E359-K365 WeakPolarHBondContact O-CE 3.21Å; E359-K365 VanDerWaalsContact OE2-CA 3.27Å; E359-K365 WeakPolarHBondContact OE2-CA 3.16Å; E359-K365 PolarHBondContact OE2-N 3.15Å; D361-K365 WeakPolarHBondContact O-CG 3.27Å; D361-K365 PolarHBondContact O-N 2.8Å; I362-K365 PolarHBondContact O-N 3.42Å; K365-R367 VanDerWaalsContact C-N 3.34Å; K365-R367 PolarHBondContact O-N 2.98Å; K365-V368 PolarHBondContact O-N 3.33Å; K365-L369 WeakPolarHBondContact O-CB 3.37Å; K365-L369 WeakPolarHBondContact O-CG 3.31Å; K365-L369 PolarHBondContact O-N 3.28Å; K365-L389 HydrophobicContact CB-CD1 3.56Å; K365-L389 HydrophobicContact CD-CD1 4.2Å; K365-L389 HydrophobicContact CD-CD2 4.13Å
366	K	88.3	Confident	87.6	Confident	41 Å²	41	73.1 Å²	73.1	18%	0.178	34%	0.336	C	S	.	.	H	α-helix	trans	-57.9	-43.5	175.3	-73	179.9	-177.9	-165.6	0	111.7	I362 A364 R370 L389 E390	I362-K366 HydrophobicContact CG2-CD 4.38Å; I362-K366 HydrophobicContact CG2-CG 4.47Å; I362-K366 WeakPolarHBondContact O-CG 3.43Å; I362-K366 PolarHBondContact O-N 3.31Å; A364-K366 VanDerWaalsContact C-N 3.3Å; A364-K366 PolarHBondContact O-N 3.16Å; K366-R370 VanDerWaalsContact O-CB 3.32Å; K366-R370 WeakPolarHBondContact O-CB 3.23Å; K366-R370 WeakPolarHBondContact O-CG 3.08Å; K366-R370 PolarHBondContact O-N 3.14Å; K366-L389 WeakPolarHBondContact CE-O 3.44Å; K366-L389 HydrophobicContact CG-CB 4.29Å; K366-L389 PolarHBondContact NZ-O 2.98Å; K366-E390 WeakPolarHBondContact CD-OE1 3.43Å; K366-E390 WeakPolarHBondContact CD-OE2 3.5Å; K366-E390 WeakPolarHBondContact CE-OE2 3.3Å; K366-E390 IonicContact NZ-OE2 3.6Å; K366-E390 PolarHBondContact NZ-OE2 3.07Å
367	R	88.3	Confident	87.5	Confident	169 Å²	169	75.5 Å²	75.5	64%	0.638	35%	0.35	S	S	*	.	H	α-helix	trans	-66	-42.3	177.5	-70.7	-174.8	-59.9	-167.3	1.4	112.2	R363 A364 K365 K371	R363-R367 WeakPolarHBondContact O-CG 3.45Å; R363-R367 PolarHBondContact O-N 3.43Å; A364-R367 WeakPolarHBondContact O-CA 3.33Å; A364-R367 WeakPolarHBondContact O-CB 3.46Å; A364-R367 PolarHBondContact O-N 3.24Å; K365-R367 VanDerWaalsContact C-N 3.34Å; K365-R367 PolarHBondContact O-N 2.98Å; R367-K371 WeakPolarHBondContact O-CG 3.4Å; R367-K371 PolarHBondContact O-N 2.78Å
368	V	89	Confident	87.5	Confident	25 Å²	25	75.9 Å²	75.9	15%	0.152	36%	0.356	C	S	.	.	H	α-helix	trans	-64.4	-45.1	177.8	168.2	0	0	0	0	111.1	A355 E359 A364 K365 K371 A372	A355-V368 HydrophobicContact CB-CG1 3.56Å; E359-V368 WeakPolarHBondContact OE1-CG2 3.12Å; E359-V368 WeakPolarHBondContact OE2-CG2 3.3Å; A364-V368 PolarHBondContact O-N 3.19Å; K365-V368 PolarHBondContact O-N 3.33Å; V368-K371 WeakPolarHBondContact O-CB 3.47Å; V368-K371 PolarHBondContact O-N 3.44Å; V368-A372 WeakPolarHBondContact O-CB 2.99Å; V368-A372 PolarHBondContact O-N 3.33Å
369	L	87.6	Confident	87.5	Confident	1 Å²	1	75.5 Å²	75.5	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-71.5	-32.8	179.5	-69.5	166	0	0	0	112.6	A356 K365 A372 L373 L382 A385 A386 L389	A356-L369 HydrophobicContact CB-CD1 3.9Å; A356-L369 HydrophobicContact CB-CD2 3.95Å; A356-L369 HydrophobicContact CB-CG 3.84Å; K365-L369 WeakPolarHBondContact O-CB 3.37Å; K365-L369 WeakPolarHBondContact O-CG 3.31Å; K365-L369 PolarHBondContact O-N 3.28Å; L369-A372 WeakPolarHBondContact O-CB 3.32Å; L369-A372 PolarHBondContact O-N 3.21Å; L369-L373 WeakPolarHBondContact O-CB 3.48Å; L369-L373 VanDerWaalsContact O-CG 3.26Å; L369-L373 WeakPolarHBondContact O-CG 3.44Å; L369-L373 PolarHBondContact O-N 3.47Å; L369-L382 HydrophobicContact CD2-CD2 4.21Å; L369-A385 HydrophobicContact CD1-CB 4.29Å; L369-A385 WeakPolarHBondContact CD1-O 3.46Å; L369-A385 HydrophobicContact CD2-CB 4.19Å; L369-A386 HydrophobicContact CB-CB 4.13Å; L369-A386 HydrophobicContact CD1-CB 4.49Å; L369-L389 HydrophobicContact CD1-CD1 3.41Å; L369-L389 VanDerWaalsContact CD1-CD1 3.41Å
370	R	87.9	Confident	87.7	Confident	134 Å²	134	75.4 Å²	75.4	51%	0.506	36%	0.357	S	S	.	.	H	α-helix	trans	-63.3	-43.3	170.4	-74.7	173.3	-168.6	-167.9	2.6	111.8	K366 A372 L373 E374 E390	K366-R370 VanDerWaalsContact O-CB 3.32Å; K366-R370 WeakPolarHBondContact O-CB 3.23Å; K366-R370 WeakPolarHBondContact O-CG 3.08Å; K366-R370 PolarHBondContact O-N 3.14Å; R370-A372 VanDerWaalsContact C-N 3.3Å; R370-A372 PolarHBondContact O-N 3.5Å; R370-L373 PolarHBondContact O-N 3.3Å; R370-E374 PolarHBondContact O-N 3.4Å; R370-E390 IonicContact CZ-OE1 3.18Å; R370-E390 IonicContact NE-OE1 2.87Å; R370-E390 IonicContact NH2-OE1 2.87Å; R370-E390 PolarHBondContact NH2-OE1 2.85Å; R370-E390 IonicContact NH2-OE2 2.69Å
371	K	86.6	Confident	87.9	Confident	129 Å²	129	76.9 Å²	76.9	56%	0.561	35%	0.349	S	S	*	.	H	α-helix	trans	-62.1	-39.1	171.6	-71.7	177.6	178.6	-175	0	111.6	R367 V368 L373 E374 H375	R367-K371 WeakPolarHBondContact O-CG 3.4Å; R367-K371 PolarHBondContact O-N 2.78Å; V368-K371 WeakPolarHBondContact O-CB 3.47Å; V368-K371 PolarHBondContact O-N 3.44Å; K371-L373 VanDerWaalsContact C-N 3.34Å; K371-L373 PolarHBondContact O-N 3.04Å; K371-E374 WeakPolarHBondContact O-CB 3.16Å; K371-E374 PolarHBondContact O-N 3.48Å; K371-H375 PolarHBondContact O-CD2 2.92Å; K371-H375 PolarHBondContact O-N 2.99Å; K371-H375 VanDerWaalsContact O-N 3.15Å
372	A	88.6	Confident	87.7	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-62	-43.1	176.6	0	0	0	0	0	111.8	Y352 V368 L369 R370 E374 H375 V376 L382	Y352-A372 VanDerWaalsContact CB-CB 3.47Å; Y352-A372 HydrophobicContact CD1-CB 3.46Å; Y352-A372 VanDerWaalsContact CD1-CB 3.46Å; Y352-A372 HydrophobicContact CD2-CB 3.83Å; Y352-A372 HydrophobicContact CE1-CB 4.11Å; Y352-A372 HydrophobicContact CE2-CB 4.45Å; Y352-A372 HydrophobicContact CG-CB 3.3Å; V368-A372 WeakPolarHBondContact O-CB 2.99Å; V368-A372 PolarHBondContact O-N 3.33Å; L369-A372 WeakPolarHBondContact O-CB 3.32Å; L369-A372 PolarHBondContact O-N 3.21Å; R370-A372 VanDerWaalsContact C-N 3.3Å; R370-A372 PolarHBondContact O-N 3.5Å; A372-E374 VanDerWaalsContact C-N 3.34Å; A372-H375 PolarHBondContact O-N 3.47Å; A372-V376 PolarHBondContact O-N 2.95Å; A372-L382 HydrophobicContact CB-CD1 3.75Å; A372-L382 HydrophobicContact CB-CD2 4.06Å
373	L	86.1	Confident	87.7	Confident	16 Å²	16	67.9 Å²	67.9	8%	0.084	30%	0.301	C	S	.	.	H	α-helix	trans	-70	-29.1	177.7	-69.7	172.3	0	0	0	112.9	L369 R370 K371 P377 L382 W383 A386 M398	L369-L373 WeakPolarHBondContact O-CB 3.48Å; L369-L373 VanDerWaalsContact O-CG 3.26Å; L369-L373 WeakPolarHBondContact O-CG 3.44Å; L369-L373 PolarHBondContact O-N 3.47Å; R370-L373 PolarHBondContact O-N 3.3Å; K371-L373 VanDerWaalsContact C-N 3.34Å; K371-L373 PolarHBondContact O-N 3.04Å; L373-P377 WeakPolarHBondContact O-CA 3.45Å; L373-L382 HydrophobicContact CD2-CB 3.67Å; L373-L382 HydrophobicContact CG-CB 4.44Å; L373-W383 HydrophobicContact CD1-CD2 4.15Å; L373-W383 HydrophobicContact CD1-CE3 3.7Å; L373-W383 HydrophobicContact CD1-CH2 4.09Å; L373-W383 HydrophobicContact CD1-CZ2 4.49Å; L373-W383 HydrophobicContact CD1-CZ3 3.69Å; L373-W383 HydrophobicContact CD2-CD2 3.5Å; L373-W383 VanDerWaalsContact CD2-CE2 3.49Å; L373-W383 HydrophobicContact CD2-CE3 3.97Å; L373-W383 HydrophobicContact CD2-CG 3.83Å; L373-W383 HydrophobicContact CD2-CH2 4.35Å; L373-W383 HydrophobicContact CD2-CZ2 3.93Å; L373-W383 HydrophobicContact CD2-CZ3 4.38Å; L373-W383 HydrophobicContact CG-CD2 4.46Å; L373-W383 HydrophobicContact CG-CE3 4.47Å; L373-A386 HydrophobicContact CD1-CB 3.86Å; L373-M398 HydrophobicContact CD1-SD 4.49Å
374	E	88.6	Confident	87.7	Confident	155 Å²	155	60.8 Å²	60.8	72%	0.724	28%	0.277	S	S	*	.	H	α-helix	trans	-65.1	-39.6	170.9	-173.5	-179.2	173.5	0	0	111.4	R370 K371 A372	R370-E374 PolarHBondContact O-N 3.4Å; K371-E374 WeakPolarHBondContact O-CB 3.16Å; K371-E374 PolarHBondContact O-N 3.48Å; A372-E374 VanDerWaalsContact C-N 3.34Å
375	H	86.3	Confident	87.6	Confident	83 Å²	83	61.2 Å²	61.2	38%	0.384	28%	0.28	S	S	.	.	H	α-helix	trans	-80.1	-39.1	178.1	-71.2	-64.9	0	0	0	113.7	P346 Q347 Y352 K371 A372	P346-H375 WeakPolarHBondContact O-CB 3.31Å; Q347-H375 PolarHBondContact NE2-O 2.95Å; Q347-H375 PolarHBondContact OE1-O 3.42Å; Y352-H375 HydrophobicContact CE2-CB 4.46Å; Y352-H375 AromaticContact CZ-CD2 3.9Å; Y352-H375 PolarHBondContact OH-CD2 2.88Å; K371-H375 PolarHBondContact O-CD2 2.92Å; K371-H375 PolarHBondContact O-N 2.99Å; K371-H375 VanDerWaalsContact O-N 3.15Å; A372-H375 PolarHBondContact O-N 3.47Å
376	V	87	Confident	87.6	Confident	4 Å²	4	59 Å²	59	2%	0.024	27%	0.271	C	S	.	.			trans	-134.3	81.2	-174.9	-167.1	0	0	0	0	111.3	Q347 V349 A372 N378 S379 L382	Q347-V376 VanDerWaalsContact CA-CG2 3.5Å; Q347-V376 HydrophobicContact CB-CG2 4.4Å; V349-V376 HydrophobicContact CG2-CG1 3.96Å; A372-V376 PolarHBondContact O-N 2.95Å; V376-N378 VanDerWaalsContact CG1-OD1 3.25Å; V376-N378 WeakPolarHBondContact CG1-OD1 3.43Å; V376-N378 PolarHBondContact O-N 3.11Å; V376-S379 PolarHBondContact O-OG 3.25Å; V376-L382 HydrophobicContact CB-CD1 4.04Å
377	P	84.3	Confident	87.5	Confident	58 Å²	58	58.1 Å²	58.1	38%	0.377	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-16.1	-176.8	29.6	-35	0	0	0	113.9	L373 S379 W383 C405	L373-P377 WeakPolarHBondContact O-CA 3.45Å; P377-S379 VanDerWaalsContact C-N 3.34Å; P377-S379 PolarHBondContact O-N 2.88Å; P377-W383 PolarHBondContact O-NE1 3.17Å; P377-C405 VanDerWaalsContact O-CB 3.23Å; P377-C405 WeakPolarHBondContact O-CB 3.32Å
378	N	86.9	Confident	87.4	Confident	114 Å²	114	57.6 Å²	57.6	61%	0.61	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	9.4	-174.3	65.3	-10.8	0	0	0	114.3	V376 C406	V376-N378 VanDerWaalsContact CG1-OD1 3.25Å; V376-N378 WeakPolarHBondContact CG1-OD1 3.43Å; V376-N378 PolarHBondContact O-N 3.11Å; N378-C406 PolarHBondContact O-SG 2.74Å; N378-C406 VanDerWaalsContact O-SG 3.33Å
379	S	85.8	Confident	87.3	Confident	14 Å²	14	58.6 Å²	58.6	10%	0.098	28%	0.278	C	S	.	.			trans	-104.3	116	-174.2	68.4	0	0	0	0	112.9	V349 V376 P377 R381 L382 W383	V349-S379 WeakPolarHBondContact CG2-OG 3.45Å; V376-S379 PolarHBondContact O-OG 3.25Å; P377-S379 VanDerWaalsContact C-N 3.34Å; P377-S379 PolarHBondContact O-N 2.88Å; S379-R381 PolarHBondContact O-N 2.71Å; S379-L382 PolarHBondContact O-N 2.96Å; S379-L382 WeakPolarHBondContact OG-CB 3.3Å; S379-L382 VanDerWaalsContact OG-CD1 3.23Å; S379-L382 WeakPolarHBondContact OG-CD1 3.32Å; S379-L382 WeakPolarHBondContact OG-CG 3.41Å; S379-W383 PolarHBondContact O-N 3.47Å
380	V	88.8	Confident	87.2	Confident	39 Å²	39	59.5 Å²	59.5	24%	0.236	28%	0.282	C	S	.	.	H	α-helix	trans	-57.9	-38.9	179.7	-177.3	0	0	0	0	112.1	L382 W383 K384 C406 L412	V380-L382 PolarHBondContact O-N 3.44Å; V380-W383 PolarHBondContact O-N 3.13Å; V380-K384 HydrophobicContact CG1-CD 4.36Å; V380-K384 HydrophobicContact CG1-CG 4.48Å; V380-K384 WeakPolarHBondContact O-CG 3.47Å; V380-K384 PolarHBondContact O-N 3.05Å; V380-C406 HydrophobicContact CG2-CB 4.28Å; V380-L412 HydrophobicContact CG1-CD1 4.19Å; V380-L412 HydrophobicContact CG1-CD2 4.49Å; V380-L412 HydrophobicContact CG1-CG 4.08Å
381	R	88.6	Confident	87.1	Confident	149 Å²	149	59 Å²	59	56%	0.562	29%	0.286	S	S	*	.	H	α-helix	trans	-67.8	-35.1	-174.7	-161.3	-177.9	169.1	156.9	-5.3	112.7	V349 I353 S379 A385	V349-R381 HydrophobicContact CG1-CB 4.05Å; I353-R381 HydrophobicContact CD1-CB 4.15Å; I353-R381 HydrophobicContact CD1-CG 3.45Å; I353-R381 VanDerWaalsContact CD1-CG 3.45Å; S379-R381 PolarHBondContact O-N 2.71Å; R381-A385 WeakPolarHBondContact O-CB 3.36Å; R381-A385 PolarHBondContact O-N 3.42Å; R381-A385 VanDerWaalsContact O-N 3.13Å
382	L	88.5	Confident	87	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-70.1	-43.1	174.2	-69.4	-176.4	0	0	0	111.3	V349 I353 L369 A372 L373 V376 S379 V380 K384 A385 A386	V349-L382 HydrophobicContact CB-CG 4.36Å; V349-L382 HydrophobicContact CG1-CD2 3.88Å; V349-L382 HydrophobicContact CG1-CG 3.73Å; V349-L382 HydrophobicContact CG2-CD1 4.24Å; V349-L382 HydrophobicContact CG2-CG 4.27Å; I353-L382 HydrophobicContact CD1-CD2 4.33Å; I353-L382 HydrophobicContact CG1-CD2 3.77Å; L369-L382 HydrophobicContact CD2-CD2 4.21Å; A372-L382 HydrophobicContact CB-CD1 3.75Å; A372-L382 HydrophobicContact CB-CD2 4.06Å; L373-L382 HydrophobicContact CD2-CB 3.67Å; L373-L382 HydrophobicContact CG-CB 4.44Å; V376-L382 HydrophobicContact CB-CD1 4.04Å; S379-L382 PolarHBondContact O-N 2.96Å; S379-L382 WeakPolarHBondContact OG-CB 3.3Å; S379-L382 VanDerWaalsContact OG-CD1 3.23Å; S379-L382 WeakPolarHBondContact OG-CD1 3.32Å; S379-L382 WeakPolarHBondContact OG-CG 3.41Å; V380-L382 PolarHBondContact O-N 3.44Å; L382-K384 VanDerWaalsContact C-N 3.33Å; L382-K384 PolarHBondContact O-N 2.87Å; L382-A385 PolarHBondContact O-N 3.47Å; L382-A386 VanDerWaalsContact O-CB 3.31Å; L382-A386 WeakPolarHBondContact O-CB 2.93Å; L382-A386 PolarHBondContact O-N 3.05Å
383	W	89.8	Confident	86.7	Confident	15 Å²	15	63.1 Å²	63.1	6%	0.057	32%	0.315	C	S	.	.	H	α-helix	trans	-60.1	-43.4	176.4	-73.5	111.6	0	0	0	111.7	L373 P377 S379 V380 A386 V387 M398 R401 A402 C405 L412	L373-W383 HydrophobicContact CD1-CD2 4.15Å; L373-W383 HydrophobicContact CD1-CE3 3.7Å; L373-W383 HydrophobicContact CD1-CH2 4.09Å; L373-W383 HydrophobicContact CD1-CZ2 4.49Å; L373-W383 HydrophobicContact CD1-CZ3 3.69Å; L373-W383 HydrophobicContact CD2-CD2 3.5Å; L373-W383 VanDerWaalsContact CD2-CE2 3.49Å; L373-W383 HydrophobicContact CD2-CE3 3.97Å; L373-W383 HydrophobicContact CD2-CG 3.83Å; L373-W383 HydrophobicContact CD2-CH2 4.35Å; L373-W383 HydrophobicContact CD2-CZ2 3.93Å; L373-W383 HydrophobicContact CD2-CZ3 4.38Å; L373-W383 HydrophobicContact CG-CD2 4.46Å; L373-W383 HydrophobicContact CG-CE3 4.47Å; P377-W383 PolarHBondContact O-NE1 3.17Å; S379-W383 PolarHBondContact O-N 3.47Å; V380-W383 PolarHBondContact O-N 3.13Å; W383-A386 PolarHBondContact O-N 3.21Å; W383-V387 VanDerWaalsContact O-CB 3.29Å; W383-V387 WeakPolarHBondContact O-CB 3.37Å; W383-V387 WeakPolarHBondContact O-CG2 3.42Å; W383-V387 PolarHBondContact O-N 3.35Å; W383-M398 HydrophobicContact CE3-CG 3.77Å; W383-M398 HydrophobicContact CZ3-CG 3.53Å; W383-M398 WeakPolarHBondContact CZ3-O 3.34Å; W383-R401 HydrophobicContact CH2-CB 4.03Å; W383-R401 HydrophobicContact CH2-CG 3.66Å; W383-R401 HydrophobicContact CZ2-CG 4.27Å; W383-R401 HydrophobicContact CZ3-CB 4.35Å; W383-R401 HydrophobicContact CZ3-CG 4.44Å; W383-A402 HydrophobicContact CB-CB 3.83Å; W383-A402 HydrophobicContact CD2-CB 3.35Å; W383-A402 HydrophobicContact CE3-CB 3.43Å; W383-A402 VanDerWaalsContact CE3-CB 3.43Å; W383-A402 HydrophobicContact CG-CB 3.53Å; W383-A402 HydrophobicContact CZ3-CB 4.12Å; W383-C405 HydrophobicContact CZ2-CB 4.24Å; W383-L412 HydrophobicContact CB-CD1 4Å; W383-L412 HydrophobicContact CB-CD2 4.09Å; W383-L412 HydrophobicContact CG-CD1 4.42Å
384	K	87.3	Confident	86.7	Confident	68 Å²	68	65.5 Å²	65.5	30%	0.296	33%	0.328	S	S	.	.	H	α-helix	trans	-57.4	-53.8	173.3	-77.5	-179.6	159.7	-173.9	0	112.5	V380 L382 A386 V387 E388 E411 L412	V380-K384 HydrophobicContact CG1-CD 4.36Å; V380-K384 HydrophobicContact CG1-CG 4.48Å; V380-K384 WeakPolarHBondContact O-CG 3.47Å; V380-K384 PolarHBondContact O-N 3.05Å; L382-K384 VanDerWaalsContact C-N 3.33Å; L382-K384 PolarHBondContact O-N 2.87Å; K384-A386 PolarHBondContact O-N 2.87Å; K384-V387 PolarHBondContact O-N 3.34Å; K384-E388 WeakPolarHBondContact O-CG 3.47Å; K384-E388 PolarHBondContact O-N 3.25Å; K384-E411 VanDerWaalsContact CE-CD 3.49Å; K384-E411 WeakPolarHBondContact CE-OE2 3.44Å; K384-E411 IonicContact NZ-OE1 3.82Å; K384-E411 PolarHBondContact NZ-OE1 3.28Å; K384-E411 IonicContact NZ-OE2 3.91Å; K384-E411 PolarHBondContact NZ-OE2 3.38Å; K384-L412 HydrophobicContact CG-CD2 4.05Å
385	A	86.9	Confident	86.5	Confident	20 Å²	20	58.3 Å²	58.3	17%	0.165	30%	0.295	C	S	.	.	H	α-helix	trans	-61.4	-32.2	-179.2	0	0	0	0	0	112.6	L369 R381 L382 L389	L369-A385 HydrophobicContact CD1-CB 4.29Å; L369-A385 WeakPolarHBondContact CD1-O 3.46Å; L369-A385 HydrophobicContact CD2-CB 4.19Å; R381-A385 WeakPolarHBondContact O-CB 3.36Å; R381-A385 PolarHBondContact O-N 3.42Å; R381-A385 VanDerWaalsContact O-N 3.13Å; L382-A385 PolarHBondContact O-N 3.47Å; A385-L389 WeakPolarHBondContact O-CG 3.23Å
386	A	88.1	Confident	86.4	Confident	5 Å²	5	59.1 Å²	59.1	4%	0.041	29%	0.294	C	S	.	.	H	α-helix	trans	-73.3	-45.1	175.4	0	0	0	0	0	111.7	L369 L373 L382 W383 K384 E388 L389 E390 M398	L369-A386 HydrophobicContact CB-CB 4.13Å; L369-A386 HydrophobicContact CD1-CB 4.49Å; L373-A386 HydrophobicContact CD1-CB 3.86Å; L382-A386 VanDerWaalsContact O-CB 3.31Å; L382-A386 WeakPolarHBondContact O-CB 2.93Å; L382-A386 PolarHBondContact O-N 3.05Å; W383-A386 PolarHBondContact O-N 3.21Å; K384-A386 PolarHBondContact O-N 2.87Å; A386-E388 PolarHBondContact O-N 2.78Å; A386-L389 PolarHBondContact O-N 3.39Å; A386-E390 WeakPolarHBondContact O-CG 3.29Å; A386-M398 HydrophobicContact CB-SD 3.49Å; A386-M398 WeakPolarHBondContact CB-SD 3.47Å
387	V	87.3	Confident	86.4	Confident	22 Å²	22	63.4 Å²	63.4	13%	0.133	32%	0.316	C	S	.	.	H	α-helix	trans	-64.4	-37.8	-179	167.8	0	0	0	0	112	W383 K384 L389 E390 A395 M398 L399	W383-V387 VanDerWaalsContact O-CB 3.29Å; W383-V387 WeakPolarHBondContact O-CB 3.37Å; W383-V387 WeakPolarHBondContact O-CG2 3.42Å; W383-V387 PolarHBondContact O-N 3.35Å; K384-V387 PolarHBondContact O-N 3.34Å; V387-L389 PolarHBondContact O-N 3.48Å; V387-L389 VanDerWaalsContact O-N 3.13Å; V387-E390 PolarHBondContact O-N 3.36Å; V387-A395 HydrophobicContact CG1-CB 4.15Å; V387-M398 HydrophobicContact CG2-CB 4.34Å; V387-M398 HydrophobicContact CG2-CG 4.19Å; V387-M398 HydrophobicContact CG2-SD 4.22Å; V387-L399 HydrophobicContact CB-CD2 4.45Å; V387-L399 HydrophobicContact CB-CG 4.46Å; V387-L399 HydrophobicContact CG1-CD1 3.87Å; V387-L399 HydrophobicContact CG1-CD2 4.08Å; V387-L399 HydrophobicContact CG1-CG 3.89Å; V387-L399 HydrophobicContact CG2-CD2 3.73Å; V387-L399 HydrophobicContact CG2-CG 3.69Å
388	E	86.6	Confident	86.5	Confident	159 Å²	159	61.9 Å²	61.9	74%	0.743	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-20.8	177.3	-76	171.9	-170.6	0	0	113.9	K384 A386	K384-E388 WeakPolarHBondContact O-CG 3.47Å; K384-E388 PolarHBondContact O-N 3.25Å; A386-E388 PolarHBondContact O-N 2.78Å
389	L	86.1	Confident	86.5	Confident	45 Å²	45	56.5 Å²	56.5	24%	0.236	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-12.2	-178.7	-60.4	173.3	0	0	0	113.4	I362 K365 K366 L369 A385 A386 V387	I362-L389 HydrophobicContact CG2-CB 4.41Å; K365-L389 HydrophobicContact CB-CD1 3.56Å; K365-L389 HydrophobicContact CD-CD1 4.2Å; K365-L389 HydrophobicContact CD-CD2 4.13Å; K366-L389 WeakPolarHBondContact CE-O 3.44Å; K366-L389 HydrophobicContact CG-CB 4.29Å; K366-L389 PolarHBondContact NZ-O 2.98Å; L369-L389 HydrophobicContact CD1-CD1 3.41Å; L369-L389 VanDerWaalsContact CD1-CD1 3.41Å; A385-L389 WeakPolarHBondContact O-CG 3.23Å; A386-L389 PolarHBondContact O-N 3.39Å; V387-L389 PolarHBondContact O-N 3.48Å; V387-L389 VanDerWaalsContact O-N 3.13Å
390	E	84.9	Confident	86.5	Confident	20 Å²	20	58 Å²	58	9%	0.093	29%	0.286	C	S	.	.	S	Bend	trans	-95.2	152.7	-174.9	-61.5	-70.2	-173.3	0	0	111.2	K366 R370 A386 V387 D394 A395 M398	K366-E390 WeakPolarHBondContact CD-OE1 3.43Å; K366-E390 WeakPolarHBondContact CD-OE2 3.5Å; K366-E390 WeakPolarHBondContact CE-OE2 3.3Å; K366-E390 IonicContact NZ-OE2 3.6Å; K366-E390 PolarHBondContact NZ-OE2 3.07Å; R370-E390 IonicContact CZ-OE1 3.18Å; R370-E390 IonicContact NE-OE1 2.87Å; R370-E390 IonicContact NH2-OE1 2.87Å; R370-E390 PolarHBondContact NH2-OE1 2.85Å; R370-E390 IonicContact NH2-OE2 2.69Å; A386-E390 WeakPolarHBondContact O-CG 3.29Å; V387-E390 PolarHBondContact O-N 3.36Å; E390-D394 HydrophobicContact CB-CB 4.09Å; E390-A395 HydrophobicContact CB-CB 4.17Å; E390-M398 HydrophobicContact CG-CE 3.78Å; E390-M398 HydrophobicContact CG-SD 4.17Å
391	E	86.9	Confident	86.4	Confident	125 Å²	125	62.7 Å²	62.7	58%	0.584	30%	0.3	S	S	*	.			trans	-70.5	158	173.1	-74.4	-176.2	-160.5	0	0	110.3	E393 D394 A395	E391-E393 PolarHBondContact O-N 3.42Å; E391-D394 PolarHBondContact O-N 3.29Å; E391-D394 VanDerWaalsContact O-N 3.1Å; E391-A395 WeakPolarHBondContact O-CB 3.35Å; E391-A395 PolarHBondContact O-N 3.4Å
392	P	83.1	Confident	86.4	Confident	90 Å²	90	55.6 Å²	55.6	58%	0.584	27%	0.273	S	S	*	.	H	α-helix	trans	-57.6	-30.8	-168.1	20.7	-34.1	0	0	0	114.6	R396 L419	P392-R396 WeakPolarHBondContact O-CB 3.07Å; P392-R396 PolarHBondContact O-N 2.83Å; P392-R396 VanDerWaalsContact O-N 3.15Å; P392-L419 HydrophobicContact CB-CD2 4.17Å
393	E	83.9	Confident	86.3	Confident	124 Å²	124	55.9 Å²	55.9	58%	0.579	28%	0.275	S	S	*	.	H	α-helix	trans	-73	-46	176.6	58.3	176.8	179.4	0	0	113.2	E391 R396 I397	E391-E393 PolarHBondContact O-N 3.42Å; E393-R396 PolarHBondContact O-N 3Å; E393-I397 PolarHBondContact O-N 3.08Å
394	D	84.5	Confident	86.1	Confident	67 Å²	67	60.5 Å²	60.5	36%	0.358	30%	0.297	S	S	.	.	H	α-helix	trans	-70.3	-37.6	177.5	-79.4	-19.3	0	0	0	111	E390 E391 R396 I397 M398	E390-D394 HydrophobicContact CB-CB 4.09Å; E391-D394 PolarHBondContact O-N 3.29Å; E391-D394 VanDerWaalsContact O-N 3.1Å; D394-R396 VanDerWaalsContact C-N 3.32Å; D394-R396 PolarHBondContact O-N 2.92Å; D394-I397 PolarHBondContact O-N 3Å; D394-M398 WeakPolarHBondContact O-CB 3.35Å; D394-M398 PolarHBondContact O-N 2.97Å
395	A	84.8	Confident	86	Confident	4 Å²	4	58.9 Å²	58.9	3%	0.033	29%	0.294	C	S	.	.	H	α-helix	trans	-59.8	-41.9	174	0	0	0	0	0	111.2	V387 E390 E391 M398 L399 L419	V387-A395 HydrophobicContact CG1-CB 4.15Å; E390-A395 HydrophobicContact CB-CB 4.17Å; E391-A395 WeakPolarHBondContact O-CB 3.35Å; E391-A395 PolarHBondContact O-N 3.4Å; A395-M398 PolarHBondContact O-N 3.46Å; A395-L399 VanDerWaalsContact O-CB 3.25Å; A395-L399 WeakPolarHBondContact O-CB 3.49Å; A395-L399 WeakPolarHBondContact O-CD1 3.43Å; A395-L399 WeakPolarHBondContact O-CG 3.27Å; A395-L399 PolarHBondContact O-N 3.3Å; A395-L419 HydrophobicContact CB-CD1 4.01Å
396	R	84.8	Confident	85.9	Confident	99 Å²	99	58.3 Å²	58.3	37%	0.374	29%	0.289	S	S	.	.	H	α-helix	trans	-62.3	-46.5	175.1	179.5	-174.2	63.2	84.9	1.8	111.8	P392 E393 D394 M398 L399 S400 E420	P392-R396 WeakPolarHBondContact O-CB 3.07Å; P392-R396 PolarHBondContact O-N 2.83Å; P392-R396 VanDerWaalsContact O-N 3.15Å; E393-R396 PolarHBondContact O-N 3Å; D394-R396 VanDerWaalsContact C-N 3.32Å; D394-R396 PolarHBondContact O-N 2.92Å; R396-M398 VanDerWaalsContact C-N 3.33Å; R396-M398 PolarHBondContact O-N 3.32Å; R396-L399 PolarHBondContact O-N 3.02Å; R396-S400 PolarHBondContact O-N 2.96Å; R396-E420 HydrophobicContact CG-CG 3.87Å
397	I	87.1	Confident	85.8	Confident	94 Å²	94	60.4 Å²	60.4	48%	0.482	30%	0.302	S	S	.	.	H	α-helix	trans	-61.9	-45.7	177.9	-64.6	169.7	0	0	0	109.8	E393 D394 L399 S400 R401	E393-I397 PolarHBondContact O-N 3.08Å; D394-I397 PolarHBondContact O-N 3Å; I397-L399 PolarHBondContact O-N 3.22Å; I397-S400 PolarHBondContact O-N 3.36Å; I397-S400 PolarHBondContact O-OG 3.17Å; I397-R401 PolarHBondContact O-N 3.04Å
398	M	86	Confident	85.8	Confident	26 Å²	26	64.9 Å²	64.9	13%	0.128	33%	0.33	C	S	.	.	H	α-helix	trans	-63.3	-41.2	178.5	-166	173.5	-73.2	0	0	112	L373 W383 A386 V387 E390 D394 A395 R396 R401 A402	L373-M398 HydrophobicContact CD1-SD 4.49Å; W383-M398 HydrophobicContact CE3-CG 3.77Å; W383-M398 HydrophobicContact CZ3-CG 3.53Å; W383-M398 WeakPolarHBondContact CZ3-O 3.34Å; A386-M398 HydrophobicContact CB-SD 3.49Å; A386-M398 WeakPolarHBondContact CB-SD 3.47Å; V387-M398 HydrophobicContact CG2-CB 4.34Å; V387-M398 HydrophobicContact CG2-CG 4.19Å; V387-M398 HydrophobicContact CG2-SD 4.22Å; E390-M398 HydrophobicContact CG-CE 3.78Å; E390-M398 HydrophobicContact CG-SD 4.17Å; D394-M398 WeakPolarHBondContact O-CB 3.35Å; D394-M398 PolarHBondContact O-N 2.97Å; A395-M398 PolarHBondContact O-N 3.46Å; R396-M398 VanDerWaalsContact C-N 3.33Å; R396-M398 PolarHBondContact O-N 3.32Å; M398-R401 PolarHBondContact O-N 3.05Å; M398-A402 WeakPolarHBondContact O-CB 3.29Å; M398-A402 PolarHBondContact O-N 2.93Å
399	L	86.3	Confident	85.7	Confident	1 Å²	1	58 Å²	58	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-65.2	-37.8	176.4	-79	166.4	0	0	0	112.5	V387 A395 R396 I397 R401 A402 V403 L412 A415 L416 L419	V387-L399 HydrophobicContact CB-CD2 4.45Å; V387-L399 HydrophobicContact CB-CG 4.46Å; V387-L399 HydrophobicContact CG1-CD1 3.87Å; V387-L399 HydrophobicContact CG1-CD2 4.08Å; V387-L399 HydrophobicContact CG1-CG 3.89Å; V387-L399 HydrophobicContact CG2-CD2 3.73Å; V387-L399 HydrophobicContact CG2-CG 3.69Å; A395-L399 VanDerWaalsContact O-CB 3.25Å; A395-L399 WeakPolarHBondContact O-CB 3.49Å; A395-L399 WeakPolarHBondContact O-CD1 3.43Å; A395-L399 WeakPolarHBondContact O-CG 3.27Å; A395-L399 PolarHBondContact O-N 3.3Å; R396-L399 PolarHBondContact O-N 3.02Å; I397-L399 PolarHBondContact O-N 3.22Å; L399-R401 VanDerWaalsContact C-N 3.26Å; L399-R401 PolarHBondContact O-N 3.4Å; L399-A402 WeakPolarHBondContact O-CA 3.5Å; L399-A402 WeakPolarHBondContact O-CB 3.47Å; L399-A402 PolarHBondContact O-N 3.31Å; L399-V403 WeakPolarHBondContact O-CG2 3.44Å; L399-V403 PolarHBondContact O-N 2.84Å; L399-L412 HydrophobicContact CD2-CB 4.4Å; L399-L412 HydrophobicContact CD2-CD2 3.92Å; L399-A415 HydrophobicContact CD1-CB 4.08Å; L399-A415 HydrophobicContact CD2-CB 4.17Å; L399-L416 HydrophobicContact CB-CB 4.06Å; L399-L416 HydrophobicContact CB-CD1 4.05Å; L399-L416 HydrophobicContact CB-CG 3.92Å; L399-L416 HydrophobicContact CD1-CB 4.43Å; L399-L419 HydrophobicContact CD1-CD1 3.61Å
400	S	86.4	Confident	85.6	Confident	46 Å²	46	57.5 Å²	57.5	32%	0.322	30%	0.298	S	S	.	.	H	α-helix	trans	-58.6	-40.9	175	75	0	0	0	0	111.7	R396 I397 V403 E404	R396-S400 PolarHBondContact O-N 2.96Å; I397-S400 PolarHBondContact O-N 3.36Å; I397-S400 PolarHBondContact O-OG 3.17Å; S400-V403 VanDerWaalsContact O-CG2 3.23Å; S400-V403 WeakPolarHBondContact O-CG2 3.34Å; S400-E404 WeakPolarHBondContact O-CG 3.26Å; S400-E404 PolarHBondContact O-N 3.29Å
401	R	87.6	Confident	85.7	Confident	137 Å²	137	61.1 Å²	61.1	52%	0.517	31%	0.314	S	S	.	.	H	α-helix	trans	-71.4	-36.4	173.4	-172.4	56.7	176.5	170.8	2.6	112.1	W383 I397 M398 L399 E404 C405	W383-R401 HydrophobicContact CH2-CB 4.03Å; W383-R401 HydrophobicContact CH2-CG 3.66Å; W383-R401 HydrophobicContact CZ2-CG 4.27Å; W383-R401 HydrophobicContact CZ3-CB 4.35Å; W383-R401 HydrophobicContact CZ3-CG 4.44Å; I397-R401 PolarHBondContact O-N 3.04Å; M398-R401 PolarHBondContact O-N 3.05Å; L399-R401 VanDerWaalsContact C-N 3.26Å; L399-R401 PolarHBondContact O-N 3.4Å; R401-E404 IonicContact CZ-OE2 2.75Å; R401-E404 IonicContact NH1-OE2 3.95Å; R401-E404 PolarHBondContact NH1-OE2 3.23Å; R401-E404 PolarHBondContact O-N 2.9Å; R401-C405 PolarHBondContact O-N 2.7Å; R401-C405 PolarHBondContact O-SG 3.37Å; R401-C405 VanDerWaalsContact O-SG 3.35Å
402	A	87.4	Confident	85.7	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.2	-43.6	179.6	0	0	0	0	0	112.1	W383 M398 L399 E404 C405 C406 L412	W383-A402 HydrophobicContact CB-CB 3.83Å; W383-A402 HydrophobicContact CD2-CB 3.35Å; W383-A402 HydrophobicContact CE3-CB 3.43Å; W383-A402 VanDerWaalsContact CE3-CB 3.43Å; W383-A402 HydrophobicContact CG-CB 3.53Å; W383-A402 HydrophobicContact CZ3-CB 4.12Å; M398-A402 WeakPolarHBondContact O-CB 3.29Å; M398-A402 PolarHBondContact O-N 2.93Å; L399-A402 WeakPolarHBondContact O-CA 3.5Å; L399-A402 WeakPolarHBondContact O-CB 3.47Å; L399-A402 PolarHBondContact O-N 3.31Å; A402-E404 VanDerWaalsContact C-N 3.32Å; A402-C405 PolarHBondContact O-N 3.11Å; A402-C406 WeakPolarHBondContact O-CB 3.49Å; A402-C406 PolarHBondContact O-N 2.78Å; A402-L412 HydrophobicContact CB-CD1 3.84Å
403	V	86.4	Confident	86	Confident	7 Å²	7	51.2 Å²	51.2	4%	0.042	26%	0.26	C	S	.	.	H	α-helix	trans	-73.1	-23.7	178.7	-61.5	0	0	0	0	113.1	L399 S400 C406 P407 L412 W413 L416	L399-V403 WeakPolarHBondContact O-CG2 3.44Å; L399-V403 PolarHBondContact O-N 2.84Å; S400-V403 VanDerWaalsContact O-CG2 3.23Å; S400-V403 WeakPolarHBondContact O-CG2 3.34Å; V403-C406 CarbonylContact O-C 3.56Å; V403-P407 WeakPolarHBondContact O-CA 3.31Å; V403-L412 HydrophobicContact CG1-CB 3.83Å; V403-W413 HydrophobicContact CB-CD2 3.77Å; V403-W413 HydrophobicContact CB-CE3 3.85Å; V403-W413 HydrophobicContact CB-CH2 3.73Å; V403-W413 HydrophobicContact CB-CZ2 3.66Å; V403-W413 HydrophobicContact CB-CZ3 3.84Å; V403-W413 HydrophobicContact CG1-CD2 3.69Å; V403-W413 HydrophobicContact CG1-CE3 3.85Å; V403-W413 HydrophobicContact CG1-CG 4.03Å; V403-W413 HydrophobicContact CG1-CZ2 4.49Å; V403-W413 HydrophobicContact CG1-CZ3 4.32Å; V403-W413 HydrophobicContact CG2-CD2 4.46Å; V403-W413 HydrophobicContact CG2-CE3 4.04Å; V403-W413 HydrophobicContact CG2-CH2 3.69Å; V403-W413 HydrophobicContact CG2-CZ2 4.16Å; V403-W413 HydrophobicContact CG2-CZ3 3.64Å; V403-L416 HydrophobicContact CB-CD1 4.28Å; V403-L416 HydrophobicContact CG1-CD1 3.75Å; V403-L416 HydrophobicContact CG2-CD1 3.51Å
404	E	86.3	Confident	86.1	Confident	111 Å²	111	46.6 Å²	46.6	52%	0.519	24%	0.239	S	C	.	.	H	α-helix	trans	-72	-42	170.1	-73	176.9	172.3	0	0	112	S400 R401 A402	S400-E404 WeakPolarHBondContact O-CG 3.26Å; S400-E404 PolarHBondContact O-N 3.29Å; R401-E404 IonicContact CZ-OE2 2.75Å; R401-E404 IonicContact NH1-OE2 3.95Å; R401-E404 PolarHBondContact NH1-OE2 3.23Å; R401-E404 PolarHBondContact O-N 2.9Å; A402-E404 VanDerWaalsContact C-N 3.32Å
405	C	85.7	Confident	86.2	Confident	35 Å²	35	44.7 Å²	44.7	24%	0.236	23%	0.233	C	C	.	.	H	α-helix	trans	-76.8	-31.2	179	-65.4	0	0	0	0	112.6	P377 W383 R401 A402 P407	P377-C405 VanDerWaalsContact O-CB 3.23Å; P377-C405 WeakPolarHBondContact O-CB 3.32Å; W383-C405 HydrophobicContact CZ2-CB 4.24Å; R401-C405 PolarHBondContact O-N 2.7Å; R401-C405 PolarHBondContact O-SG 3.37Å; R401-C405 VanDerWaalsContact O-SG 3.35Å; A402-C405 PolarHBondContact O-N 3.11Å; C405-P407 WeakPolarHBondContact O-CD 3.48Å
406	C	84.2	Confident	86.2	Confident	8 Å²	8	44.6 Å²	44.6	5%	0.054	23%	0.232	C	C	.	.			trans	-124.2	73.6	-179.2	-61.4	0	0	0	0	110.7	N378 V380 A402 V403 T408 S409 L412	N378-C406 PolarHBondContact O-SG 2.74Å; N378-C406 VanDerWaalsContact O-SG 3.33Å; V380-C406 HydrophobicContact CG2-CB 4.28Å; A402-C406 WeakPolarHBondContact O-CB 3.49Å; A402-C406 PolarHBondContact O-N 2.78Å; V403-C406 CarbonylContact O-C 3.56Å; C406-T408 VanDerWaalsContact C-N 3.26Å; C406-T408 PolarHBondContact O-N 3.42Å; C406-S409 PolarHBondContact O-N 3.27Å; C406-S409 PolarHBondContact O-OG 2.94Å; C406-S409 VanDerWaalsContact O-OG 3.05Å; C406-L412 HydrophobicContact CB-CD1 4.05Å
407	P	84.6	Confident	86.2	Confident	49 Å²	49	40.2 Å²	40.2	32%	0.318	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-23.4	-175.6	27.4	-35	0	0	0	113.3	V403 C405 W413 I436	V403-P407 WeakPolarHBondContact O-CA 3.31Å; C405-P407 WeakPolarHBondContact O-CD 3.48Å; P407-W413 PolarHBondContact O-NE1 3.22Å; P407-I436 WeakPolarHBondContact O-CD1 3.45Å
408	T	87.6	Confident	86.1	Confident	116 Å²	116	44.3 Å²	44.3	71%	0.712	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-9.5	-176.3	-50.4	0	0	0	0	114	C406 I436	C406-T408 VanDerWaalsContact C-N 3.26Å; C406-T408 PolarHBondContact O-N 3.42Å; T408-I436 VanDerWaalsContact O-CD1 3.22Å; T408-I436 WeakPolarHBondContact O-CD1 3.38Å
409	S	84.5	Confident	86	Confident	14 Å²	14	46.6 Å²	46.6	10%	0.098	24%	0.238	C	C	.	.			trans	-93.6	109.6	-175.1	62	0	0	0	0	112.6	C406 E411 L412	C406-S409 PolarHBondContact O-N 3.27Å; C406-S409 PolarHBondContact O-OG 2.94Å; C406-S409 VanDerWaalsContact O-OG 3.05Å; S409-E411 VanDerWaalsContact C-N 3.34Å; S409-E411 PolarHBondContact O-N 2.89Å; S409-L412 WeakPolarHBondContact OG-CD1 3.22Å
410	V	85.6	Confident	85.8	Confident	35 Å²	35	48.1 Å²	48.1	21%	0.212	25%	0.246	C	C	.	.	H	α-helix	trans	-59.9	-42.7	-177.9	-60.1	0	0	0	0	112.2	L412 W413 L414 I436 D439 I442	V410-L412 VanDerWaalsContact C-N 3.31Å; V410-L412 PolarHBondContact O-N 3.24Å; V410-W413 WeakPolarHBondContact O-CA 3.19Å; V410-W413 WeakPolarHBondContact O-CB 3.4Å; V410-W413 PolarHBondContact O-N 3.48Å; V410-L414 VanDerWaalsContact O-CG 3.3Å; V410-L414 WeakPolarHBondContact O-CG 3.3Å; V410-L414 PolarHBondContact O-N 3.4Å; V410-I436 HydrophobicContact CB-CD1 4.47Å; V410-I436 HydrophobicContact CG1-CD1 3.53Å; V410-I436 HydrophobicContact CG1-CG2 4.01Å; V410-D439 WeakPolarHBondContact CB-OD2 3.24Å; V410-D439 HydrophobicContact CG1-CB 3.73Å; V410-D439 WeakPolarHBondContact CG1-OD2 3.4Å; V410-I442 HydrophobicContact CG1-CD1 4.34Å
411	E	86.1	Confident	85.8	Confident	95 Å²	95	50.3 Å²	50.3	44%	0.444	26%	0.257	S	S	.	.	H	α-helix	trans	-61.7	-36.5	-171.3	-54	169.9	118.4	0	0	113.1	K384 S409 L414 A415	K384-E411 VanDerWaalsContact CE-CD 3.49Å; K384-E411 WeakPolarHBondContact CE-OE2 3.44Å; K384-E411 IonicContact NZ-OE1 3.82Å; K384-E411 PolarHBondContact NZ-OE1 3.28Å; K384-E411 IonicContact NZ-OE2 3.91Å; K384-E411 PolarHBondContact NZ-OE2 3.38Å; S409-E411 VanDerWaalsContact C-N 3.34Å; S409-E411 PolarHBondContact O-N 2.89Å; E411-L414 PolarHBondContact O-N 3.26Å; E411-A415 WeakPolarHBondContact O-CB 2.93Å; E411-A415 PolarHBondContact O-N 3.35Å
412	L	87.6	Confident	85.7	Confident	3 Å²	3	46.4 Å²	46.4	2%	0.016	24%	0.243	C	C	.	.	H	α-helix	trans	-69.3	-40.9	176	-63	-179	0	0	0	111	V380 W383 K384 L399 A402 V403 C406 S409 V410 L414 A415 L416	V380-L412 HydrophobicContact CG1-CD1 4.19Å; V380-L412 HydrophobicContact CG1-CD2 4.49Å; V380-L412 HydrophobicContact CG1-CG 4.08Å; W383-L412 HydrophobicContact CB-CD1 4Å; W383-L412 HydrophobicContact CB-CD2 4.09Å; W383-L412 HydrophobicContact CG-CD1 4.42Å; K384-L412 HydrophobicContact CG-CD2 4.05Å; L399-L412 HydrophobicContact CD2-CB 4.4Å; L399-L412 HydrophobicContact CD2-CD2 3.92Å; A402-L412 HydrophobicContact CB-CD1 3.84Å; V403-L412 HydrophobicContact CG1-CB 3.83Å; C406-L412 HydrophobicContact CB-CD1 4.05Å; S409-L412 WeakPolarHBondContact OG-CD1 3.22Å; V410-L412 VanDerWaalsContact C-N 3.31Å; V410-L412 PolarHBondContact O-N 3.24Å; L412-L414 VanDerWaalsContact C-N 3.32Å; L412-L414 PolarHBondContact O-N 2.6Å; L412-A415 PolarHBondContact O-N 3.43Å; L412-L416 VanDerWaalsContact O-CB 3.25Å; L412-L416 WeakPolarHBondContact O-CB 3.2Å; L412-L416 PolarHBondContact O-N 2.99Å
413	W	88.8	Confident	85.7	Confident	5 Å²	5	53.1 Å²	53.1	2%	0.019	27%	0.274	C	S	.	.	H	α-helix	trans	-61.2	-41.2	173.4	-68.5	111.1	0	0	0	111.7	V403 P407 V410 L416 A417 V428 K431 A432 N435	V403-W413 HydrophobicContact CB-CD2 3.77Å; V403-W413 HydrophobicContact CB-CE3 3.85Å; V403-W413 HydrophobicContact CB-CH2 3.73Å; V403-W413 HydrophobicContact CB-CZ2 3.66Å; V403-W413 HydrophobicContact CB-CZ3 3.84Å; V403-W413 HydrophobicContact CG1-CD2 3.69Å; V403-W413 HydrophobicContact CG1-CE3 3.85Å; V403-W413 HydrophobicContact CG1-CG 4.03Å; V403-W413 HydrophobicContact CG1-CZ2 4.49Å; V403-W413 HydrophobicContact CG1-CZ3 4.32Å; V403-W413 HydrophobicContact CG2-CD2 4.46Å; V403-W413 HydrophobicContact CG2-CE3 4.04Å; V403-W413 HydrophobicContact CG2-CH2 3.69Å; V403-W413 HydrophobicContact CG2-CZ2 4.16Å; V403-W413 HydrophobicContact CG2-CZ3 3.64Å; P407-W413 PolarHBondContact O-NE1 3.22Å; V410-W413 WeakPolarHBondContact O-CA 3.19Å; V410-W413 WeakPolarHBondContact O-CB 3.4Å; V410-W413 PolarHBondContact O-N 3.48Å; W413-L416 PolarHBondContact O-N 3.26Å; W413-A417 WeakPolarHBondContact O-CB 3.38Å; W413-A417 PolarHBondContact O-N 3Å; W413-V428 HydrophobicContact CE3-CG1 3.61Å; W413-V428 HydrophobicContact CZ3-CG1 4.01Å; W413-K431 HydrophobicContact CH2-CB 4.23Å; W413-K431 HydrophobicContact CH2-CD 4.03Å; W413-K431 HydrophobicContact CH2-CG 3.87Å; W413-K431 HydrophobicContact CZ3-CB 4.21Å; W413-K431 HydrophobicContact CZ3-CD 4.46Å; W413-K431 HydrophobicContact CZ3-CG 4.33Å; W413-A432 HydrophobicContact CB-CB 3.8Å; W413-A432 HydrophobicContact CD2-CB 3.62Å; W413-A432 HydrophobicContact CE3-CB 3.82Å; W413-A432 HydrophobicContact CG-CB 3.62Å; W413-N435 WeakPolarHBondContact CZ2-ND2 3.4Å
414	L	86.6	Confident	85.6	Confident	26 Å²	26	56 Å²	56	14%	0.136	29%	0.289	C	S	.	.	H	α-helix	trans	-67	-43.3	177.9	-56	-167.4	0	0	0	112.1	V410 E411 L412 L416 A417 R418 H441 I442 T445	V410-L414 VanDerWaalsContact O-CG 3.3Å; V410-L414 WeakPolarHBondContact O-CG 3.3Å; V410-L414 PolarHBondContact O-N 3.4Å; E411-L414 PolarHBondContact O-N 3.26Å; L412-L414 VanDerWaalsContact C-N 3.32Å; L412-L414 PolarHBondContact O-N 2.6Å; L414-L416 VanDerWaalsContact C-N 3.32Å; L414-A417 PolarHBondContact O-N 3.3Å; L414-R418 PolarHBondContact O-N 2.62Å; L414-R418 VanDerWaalsContact O-N 3.14Å; L414-H441 HydrophobicContact CD1-CB 3.83Å; L414-I442 HydrophobicContact CD2-CG1 4.19Å; L414-T445 HydrophobicContact CB-CG2 4.28Å; L414-T445 HydrophobicContact CD1-CG2 3.91Å; L414-T445 HydrophobicContact CD2-CG2 3.68Å; L414-T445 WeakPolarHBondContact CD2-OG1 3.3Å; L414-T445 HydrophobicContact CG-CG2 4.13Å
415	A	85.2	Confident	85.6	Confident	28 Å²	28	50.7 Å²	50.7	23%	0.231	27%	0.265	C	S	.	.	H	α-helix	trans	-63.7	-40.6	176.9	0	0	0	0	0	111.4	L399 E411 L412 R418 L419	L399-A415 HydrophobicContact CD1-CB 4.08Å; L399-A415 HydrophobicContact CD2-CB 4.17Å; E411-A415 WeakPolarHBondContact O-CB 2.93Å; E411-A415 PolarHBondContact O-N 3.35Å; L412-A415 PolarHBondContact O-N 3.43Å; A415-R418 PolarHBondContact O-N 2.7Å; A415-L419 PolarHBondContact O-N 2.64Å
416	L	85.8	Confident	85.6	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-63.8	-49	176.9	-161.6	168.1	0	0	0	110.7	L399 V403 L412 W413 L414 R418 L419 E420 V428	L399-L416 HydrophobicContact CB-CB 4.06Å; L399-L416 HydrophobicContact CB-CD1 4.05Å; L399-L416 HydrophobicContact CB-CG 3.92Å; L399-L416 HydrophobicContact CD1-CB 4.43Å; V403-L416 HydrophobicContact CB-CD1 4.28Å; V403-L416 HydrophobicContact CG1-CD1 3.75Å; V403-L416 HydrophobicContact CG2-CD1 3.51Å; L412-L416 VanDerWaalsContact O-CB 3.25Å; L412-L416 WeakPolarHBondContact O-CB 3.2Å; L412-L416 PolarHBondContact O-N 2.99Å; W413-L416 PolarHBondContact O-N 3.26Å; L414-L416 VanDerWaalsContact C-N 3.32Å; L416-R418 PolarHBondContact O-N 2.86Å; L416-L419 PolarHBondContact O-N 2.95Å; L416-L419 VanDerWaalsContact O-N 3.09Å; L416-E420 HydrophobicContact CD2-CG 3.67Å; L416-E420 WeakPolarHBondContact CD2-OE1 3.4Å; L416-E420 PolarHBondContact O-N 2.85Å; L416-E420 VanDerWaalsContact O-N 3.12Å; L416-V428 HydrophobicContact CB-CG1 4.38Å; L416-V428 HydrophobicContact CD1-CG1 4.46Å; L416-V428 HydrophobicContact CD2-CB 4.08Å; L416-V428 HydrophobicContact CD2-CG1 3.6Å; L416-V428 HydrophobicContact CD2-CG2 3.48Å; L416-V428 VanDerWaalsContact CD2-CG2 3.48Å; L416-V428 HydrophobicContact CG-CG1 4.39Å
417	A	85.2	Confident	85.8	Confident	6 Å²	6	60.8 Å²	60.8	5%	0.05	30%	0.3	C	S	.	.	H	α-helix	trans	-60.2	-29	178.9	0	0	0	0	0	113.3	W413 L414 A425 V428 L429	W413-A417 WeakPolarHBondContact O-CB 3.38Å; W413-A417 PolarHBondContact O-N 3Å; L414-A417 PolarHBondContact O-N 3.3Å; A417-A425 HydrophobicContact CB-CB 4.42Å; A417-A425 WeakPolarHBondContact O-CB 3.38Å; A417-V428 HydrophobicContact CB-CG1 4.46Å; A417-L429 HydrophobicContact CB-CD1 4.07Å; A417-L429 HydrophobicContact CB-CD2 3.72Å; A417-L429 HydrophobicContact CB-CG 3.77Å
418	R	83.4	Confident	85.9	Confident	181 Å²	181	59.3 Å²	59.3	68%	0.683	29%	0.29	S	S	*	.	H	α-helix	trans	-75	-31.5	176.6	-170.9	179.4	-63.7	133.7	0.3	113.4	L414 A415 L416	L414-R418 PolarHBondContact O-N 2.62Å; L414-R418 VanDerWaalsContact O-N 3.14Å; A415-R418 PolarHBondContact O-N 2.7Å; L416-R418 PolarHBondContact O-N 2.86Å
419	L	84.1	Confident	85.9	Confident	73 Å²	73	53.9 Å²	53.9	38%	0.382	26%	0.257	S	S	.	.	H	α-helix	trans	-90.1	-13.4	-177.8	-71.3	173.9	0	0	0	113.4	P392 A395 L399 A415 L416	P392-L419 HydrophobicContact CB-CD2 4.17Å; A395-L419 HydrophobicContact CB-CD1 4.01Å; L399-L419 HydrophobicContact CD1-CD1 3.61Å; A415-L419 PolarHBondContact O-N 2.64Å; L416-L419 PolarHBondContact O-N 2.95Å; L416-L419 VanDerWaalsContact O-N 3.09Å
420	E	82.8	Confident	86.1	Confident	33 Å²	33	57 Å²	57	15%	0.154	27%	0.272	C	S	.	.	S	Bend	trans	-91.2	158.1	-179.9	-77.1	-161.4	163.9	0	0	114.4	R396 L416 N424 A425 V428	R396-E420 HydrophobicContact CG-CG 3.87Å; L416-E420 HydrophobicContact CD2-CG 3.67Å; L416-E420 WeakPolarHBondContact CD2-OE1 3.4Å; L416-E420 PolarHBondContact O-N 2.85Å; L416-E420 VanDerWaalsContact O-N 3.12Å; E420-N424 HydrophobicContact CB-CB 4.48Å; E420-N424 WeakPolarHBondContact OE2-CB 3.46Å; E420-A425 HydrophobicContact CB-CB 4.1Å; E420-A425 PolarHBondContact OE2-N 3.15Å; E420-V428 VanDerWaalsContact OE2-CG2 3.25Å; E420-V428 WeakPolarHBondContact OE2-CG2 3.45Å
421	T	87	Confident	86.2	Confident	93 Å²	93	60.3 Å²	60.3	57%	0.571	28%	0.284	S	S	*	.			trans	-61.6	146.3	166	56.2	0	0	0	0	110.8	E423 N424 A425	T421-E423 VanDerWaalsContact C-N 3.34Å; T421-E423 PolarHBondContact O-N 3Å; T421-E423 VanDerWaalsContact O-N 3.11Å; T421-N424 PolarHBondContact O-N 3.36Å; T421-N424 PolarHBondContact OG1-ND2 3.47Å; T421-A425 WeakPolarHBondContact O-CB 3.41Å; T421-A425 PolarHBondContact O-N 3.06Å
422	Y	85.4	Confident	86.3	Confident	54 Å²	54	55.8 Å²	55.8	21%	0.212	26%	0.263	C	S	.	.	H	α-helix	trans	-42.6	-48.8	-178.4	175.4	-102.1	0	0	0	115.7	N424 A425 R426 L449 E450 N453 N455	Y422-N424 PolarHBondContact O-N 2.91Å; Y422-A425 PolarHBondContact O-N 3.47Å; Y422-R426 WeakPolarHBondContact O-CB 3.28Å; Y422-R426 PolarHBondContact O-N 3.42Å; Y422-L449 HydrophobicContact CD2-CD2 4.29Å; Y422-L449 HydrophobicContact CD2-CG 4.06Å; Y422-E450 WeakPolarHBondContact CE2-OE2 3.38Å; Y422-E450 PolarHBondContact OH-OE1 2.97Å; Y422-E450 PolarHBondContact OH-OE2 3.49Å; Y422-N453 WeakPolarHBondContact CB-ND2 3.4Å; Y422-N453 HydrophobicContact CD2-CB 3.84Å; Y422-N453 VanDerWaalsContact CD2-CG 3.5Å; Y422-N453 HydrophobicContact CE2-CB 4.16Å; Y422-N453 HydrophobicContact CG-CB 4.46Å; Y422-N455 PolarHBondContact OH-ND2 2.95Å
423	E	85.9	Confident	86.2	Confident	142 Å²	142	58.1 Å²	58.1	66%	0.664	27%	0.271	S	S	*	.	H	α-helix	trans	-64.8	-38.3	-177.5	-63.8	-172.2	172	0	0	113.2	T421 K427	T421-E423 VanDerWaalsContact C-N 3.34Å; T421-E423 PolarHBondContact O-N 3Å; T421-E423 VanDerWaalsContact O-N 3.11Å; E423-K427 PolarHBondContact O-N 2.99Å
424	N	85.1	Confident	86.2	Confident	66 Å²	66	65 Å²	65	35%	0.353	30%	0.304	S	S	.	.	H	α-helix	trans	-80.3	-40.2	179.2	-67.2	-35.4	0	0	0	110.9	E420 T421 Y422 R426 K427 V428	E420-N424 HydrophobicContact CB-CB 4.48Å; E420-N424 WeakPolarHBondContact OE2-CB 3.46Å; T421-N424 PolarHBondContact O-N 3.36Å; T421-N424 PolarHBondContact OG1-ND2 3.47Å; Y422-N424 PolarHBondContact O-N 2.91Å; N424-R426 PolarHBondContact O-N 3.12Å; N424-K427 WeakPolarHBondContact O-CA 3.29Å; N424-K427 WeakPolarHBondContact O-CB 3.41Å; N424-K427 PolarHBondContact O-N 2.83Å; N424-V428 WeakPolarHBondContact O-CG2 3.15Å; N424-V428 PolarHBondContact O-N 3.11Å
425	A	85.4	Confident	86.2	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-56.5	-37.7	173	0	0	0	0	0	111.7	A417 E420 T421 Y422 V428 L429 L449	A417-A425 HydrophobicContact CB-CB 4.42Å; A417-A425 WeakPolarHBondContact O-CB 3.38Å; E420-A425 HydrophobicContact CB-CB 4.1Å; E420-A425 PolarHBondContact OE2-N 3.15Å; T421-A425 WeakPolarHBondContact O-CB 3.41Å; T421-A425 PolarHBondContact O-N 3.06Å; Y422-A425 PolarHBondContact O-N 3.47Å; A425-V428 PolarHBondContact O-N 2.95Å; A425-L429 WeakPolarHBondContact O-CB 3.08Å; A425-L429 VanDerWaalsContact O-CG 3.24Å; A425-L429 WeakPolarHBondContact O-CG 3Å; A425-L429 PolarHBondContact O-N 3.23Å; A425-L449 HydrophobicContact CB-CD1 4.22Å; A425-L449 HydrophobicContact CB-CD2 3.55Å
426	R	86	Confident	86.2	Confident	123 Å²	123	66.6 Å²	66.6	46%	0.464	31%	0.308	S	S	.	.	H	α-helix	trans	-65.1	-39.9	173.4	-173.9	171	175.3	176.3	-3.5	113.1	Y422 N424 N430	Y422-R426 WeakPolarHBondContact O-CB 3.28Å; Y422-R426 PolarHBondContact O-N 3.42Å; N424-R426 PolarHBondContact O-N 3.12Å; R426-N430 WeakPolarHBondContact O-CB 3.28Å; R426-N430 VanDerWaalsContact O-CG 3.28Å; R426-N430 PolarHBondContact O-N 3.49Å; R426-N430 PolarHBondContact O-ND2 2.7Å
427	K	88.1	Confident	86.2	Confident	132 Å²	132	68.8 Å²	68.8	57%	0.574	32%	0.323	S	S	*	.	H	α-helix	trans	-65.1	-42.5	174.5	-68.3	172	-172.5	163.9	0	111.1	E423 N424 N430 K431	E423-K427 PolarHBondContact O-N 2.99Å; N424-K427 WeakPolarHBondContact O-CA 3.29Å; N424-K427 WeakPolarHBondContact O-CB 3.41Å; N424-K427 PolarHBondContact O-N 2.83Å; K427-N430 WeakPolarHBondContact O-CB 3.39Å; K427-N430 PolarHBondContact O-N 2.99Å; K427-K431 WeakPolarHBondContact O-CB 3.23Å; K427-K431 PolarHBondContact O-N 3.01Å
428	V	88.4	Confident	86.2	Confident	18 Å²	18	72.7 Å²	72.7	11%	0.109	35%	0.346	C	S	.	.	H	α-helix	trans	-61.3	-48.1	176.3	166.3	0	0	0	0	110.7	W413 L416 A417 E420 N424 A425 N430 K431 A432	W413-V428 HydrophobicContact CE3-CG1 3.61Å; W413-V428 HydrophobicContact CZ3-CG1 4.01Å; L416-V428 HydrophobicContact CB-CG1 4.38Å; L416-V428 HydrophobicContact CD1-CG1 4.46Å; L416-V428 HydrophobicContact CD2-CB 4.08Å; L416-V428 HydrophobicContact CD2-CG1 3.6Å; L416-V428 HydrophobicContact CD2-CG2 3.48Å; L416-V428 VanDerWaalsContact CD2-CG2 3.48Å; L416-V428 HydrophobicContact CG-CG1 4.39Å; A417-V428 HydrophobicContact CB-CG1 4.46Å; E420-V428 VanDerWaalsContact OE2-CG2 3.25Å; E420-V428 WeakPolarHBondContact OE2-CG2 3.45Å; N424-V428 WeakPolarHBondContact O-CG2 3.15Å; N424-V428 PolarHBondContact O-N 3.11Å; A425-V428 PolarHBondContact O-N 2.95Å; V428-N430 VanDerWaalsContact C-N 3.32Å; V428-N430 PolarHBondContact O-N 3.45Å; V428-K431 CarbonylContact O-C 3.57Å; V428-K431 PolarHBondContact O-N 3.31Å; V428-K431 VanDerWaalsContact O-N 3.17Å; V428-A432 WeakPolarHBondContact O-CB 3.46Å; V428-A432 PolarHBondContact O-N 3.15Å
429	L	86.9	Confident	86.2	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-69.4	-28.5	178.6	-68.4	170.1	0	0	0	112.6	A417 A425 R433 I442 A446 L449	A417-L429 HydrophobicContact CB-CD1 4.07Å; A417-L429 HydrophobicContact CB-CD2 3.72Å; A417-L429 HydrophobicContact CB-CG 3.77Å; A425-L429 WeakPolarHBondContact O-CB 3.08Å; A425-L429 VanDerWaalsContact O-CG 3.24Å; A425-L429 WeakPolarHBondContact O-CG 3Å; A425-L429 PolarHBondContact O-N 3.23Å; L429-R433 WeakPolarHBondContact O-CB 3.4Å; L429-R433 VanDerWaalsContact O-CG 3.32Å; L429-R433 WeakPolarHBondContact O-CG 3.44Å; L429-R433 PolarHBondContact O-N 3.22Å; L429-R433 VanDerWaalsContact O-N 3.09Å; L429-R433 PolarHBondContact O-NE 3.1Å; L429-I442 HydrophobicContact CD2-CG2 3.89Å; L429-A446 HydrophobicContact CD1-CB 3.91Å; L429-L449 HydrophobicContact CD1-CD2 3.85Å
430	N	89	Confident	86.3	Confident	79 Å²	79	63.9 Å²	63.9	42%	0.422	31%	0.31	S	S	.	.	H	α-helix	trans	-65.4	-47	168.3	-78.5	-30.3	0	0	0	110.7	R426 K427 V428 A432 R433 E434	R426-N430 WeakPolarHBondContact O-CB 3.28Å; R426-N430 VanDerWaalsContact O-CG 3.28Å; R426-N430 PolarHBondContact O-N 3.49Å; R426-N430 PolarHBondContact O-ND2 2.7Å; K427-N430 WeakPolarHBondContact O-CB 3.39Å; K427-N430 PolarHBondContact O-N 2.99Å; V428-N430 VanDerWaalsContact C-N 3.32Å; V428-N430 PolarHBondContact O-N 3.45Å; N430-A432 VanDerWaalsContact C-N 3.33Å; N430-A432 PolarHBondContact O-N 3.32Å; N430-R433 PolarHBondContact O-N 3.11Å; N430-R433 VanDerWaalsContact OD1-CZ 3.3Å; N430-R433 PolarHBondContact OD1-NH2 3.27Å; N430-E434 PolarHBondContact O-N 3.22Å
431	K	87.9	Confident	86.5	Confident	105 Å²	105	65 Å²	65	46%	0.457	32%	0.315	S	S	.	.	H	α-helix	trans	-66	-35.7	178.5	-165.7	170	-176.3	178.1	0	112.2	W413 K427 V428 E434 N435	W413-K431 HydrophobicContact CH2-CB 4.23Å; W413-K431 HydrophobicContact CH2-CD 4.03Å; W413-K431 HydrophobicContact CH2-CG 3.87Å; W413-K431 HydrophobicContact CZ3-CB 4.21Å; W413-K431 HydrophobicContact CZ3-CD 4.46Å; W413-K431 HydrophobicContact CZ3-CG 4.33Å; K427-K431 WeakPolarHBondContact O-CB 3.23Å; K427-K431 PolarHBondContact O-N 3.01Å; V428-K431 CarbonylContact O-C 3.57Å; V428-K431 PolarHBondContact O-N 3.31Å; V428-K431 VanDerWaalsContact O-N 3.17Å; K431-E434 PolarHBondContact O-N 2.85Å; K431-N435 PolarHBondContact O-N 3.4Å; K431-N435 VanDerWaalsContact O-N 3.1Å; K431-N435 PolarHBondContact O-ND2 2.9Å; K431-N435 VanDerWaalsContact O-ND2 3.09Å
432	A	87.7	Confident	86.6	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.1	-41.8	172.9	0	0	0	0	0	111.3	W413 V428 N430 E434 N435 I436 I442	W413-A432 HydrophobicContact CB-CB 3.8Å; W413-A432 HydrophobicContact CD2-CB 3.62Å; W413-A432 HydrophobicContact CE3-CB 3.82Å; W413-A432 HydrophobicContact CG-CB 3.62Å; V428-A432 WeakPolarHBondContact O-CB 3.46Å; V428-A432 PolarHBondContact O-N 3.15Å; N430-A432 VanDerWaalsContact C-N 3.33Å; N430-A432 PolarHBondContact O-N 3.32Å; A432-E434 VanDerWaalsContact C-N 3.34Å; A432-E434 PolarHBondContact O-N 3.36Å; A432-N435 PolarHBondContact O-N 3.48Å; A432-I436 WeakPolarHBondContact O-CA 3.32Å; A432-I436 PolarHBondContact O-N 3.32Å; A432-I442 HydrophobicContact CB-CD1 4Å; A432-I442 HydrophobicContact CB-CG1 4.43Å; A432-I442 HydrophobicContact CB-CG2 3.98Å
433	R	86.3	Confident	86.8	Confident	52 Å²	52	59 Å²	59	20%	0.196	28%	0.281	C	S	.	.	H	α-helix	trans	-66.7	-32.8	175.8	-80	177.7	-77	172.6	-6	113.5	L429 N430 I436 P437 I442 W443	L429-R433 WeakPolarHBondContact O-CB 3.4Å; L429-R433 VanDerWaalsContact O-CG 3.32Å; L429-R433 WeakPolarHBondContact O-CG 3.44Å; L429-R433 PolarHBondContact O-N 3.22Å; L429-R433 VanDerWaalsContact O-N 3.09Å; L429-R433 PolarHBondContact O-NE 3.1Å; N430-R433 PolarHBondContact O-N 3.11Å; N430-R433 VanDerWaalsContact OD1-CZ 3.3Å; N430-R433 PolarHBondContact OD1-NH2 3.27Å; R433-I436 CarbonylContact O-C 3.36Å; R433-P437 WeakPolarHBondContact O-CA 3.27Å; R433-P437 WeakPolarHBondContact O-CG 3.34Å; R433-I442 HydrophobicContact CG-CG2 3.69Å; R433-W443 VanDerWaalsContact CD-CZ2 3.5Å; R433-W443 HydrophobicContact CG-CZ2 4.31Å; R433-W443 VanDerWaalsContact NH1-CZ3 3.34Å
434	E	87.8	Confident	86.8	Confident	150 Å²	150	52.7 Å²	52.7	70%	0.701	25%	0.252	S	S	*	.	H	α-helix	trans	-67	-45.5	174.6	-173.2	-177.8	-178.5	0	0	111.1	N430 K431 A432	N430-E434 PolarHBondContact O-N 3.22Å; K431-E434 PolarHBondContact O-N 2.85Å; A432-E434 VanDerWaalsContact C-N 3.34Å; A432-E434 PolarHBondContact O-N 3.36Å
435	N	86.4	Confident	86.9	Confident	74 Å²	74	50.7 Å²	50.7	40%	0.396	24%	0.242	S	C	.	.	H	α-helix	trans	-75.2	-32.9	179.5	-69.6	-41.8	0	0	0	113.3	W413 K431 A432	W413-N435 WeakPolarHBondContact CZ2-ND2 3.4Å; K431-N435 PolarHBondContact O-N 3.4Å; K431-N435 VanDerWaalsContact O-N 3.1Å; K431-N435 PolarHBondContact O-ND2 2.9Å; K431-N435 VanDerWaalsContact O-ND2 3.09Å; A432-N435 PolarHBondContact O-N 3.48Å
436	I	85.6	Confident	86.9	Confident	13 Å²	13	51 Å²	51	7%	0.067	25%	0.245	C	C	.	.			trans	-133.7	79.1	-176.5	-44.3	171.1	0	0	0	109.8	P407 T408 V410 A432 R433 T438 D439 I442	P407-I436 WeakPolarHBondContact O-CD1 3.45Å; T408-I436 VanDerWaalsContact O-CD1 3.22Å; T408-I436 WeakPolarHBondContact O-CD1 3.38Å; V410-I436 HydrophobicContact CB-CD1 4.47Å; V410-I436 HydrophobicContact CG1-CD1 3.53Å; V410-I436 HydrophobicContact CG1-CG2 4.01Å; A432-I436 WeakPolarHBondContact O-CA 3.32Å; A432-I436 PolarHBondContact O-N 3.32Å; R433-I436 CarbonylContact O-C 3.36Å; I436-T438 PolarHBondContact O-N 3.46Å; I436-D439 HydrophobicContact CG2-CB 3.71Å; I436-I442 HydrophobicContact CB-CD1 3.89Å; I436-I442 HydrophobicContact CD1-CD1 4.41Å; I436-I442 HydrophobicContact CG2-CD1 4.36Å
437	P	84.8	Confident	86.9	Confident	49 Å²	49	45.2 Å²	45.2	32%	0.318	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-13.9	178.7	-18.3	32.8	0	0	0	114.2	R433 N473	R433-P437 WeakPolarHBondContact O-CA 3.27Å; R433-P437 WeakPolarHBondContact O-CG 3.34Å; P437-N473 WeakPolarHBondContact CB-ND2 3.3Å; P437-N473 PolarHBondContact O-ND2 3.29Å
438	T	85.9	Confident	86.8	Confident	88 Å²	88	40.5 Å²	40.5	54%	0.54	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-11.4	-172.8	52.9	0	0	0	0	113.7	I436 L470	I436-T438 PolarHBondContact O-N 3.46Å; T438-L470 WeakPolarHBondContact O-CD2 3.31Å
439	D	83.4	Confident	86.6	Confident	23 Å²	23	40.9 Å²	40.9	12%	0.123	20%	0.204	C	C	.	.			trans	-93	136.7	-176.3	-176.4	34.8	0	0	0	112.8	V410 I436 H441 I442	V410-D439 WeakPolarHBondContact CB-OD2 3.24Å; V410-D439 HydrophobicContact CG1-CB 3.73Å; V410-D439 WeakPolarHBondContact CG1-OD2 3.4Å; I436-D439 HydrophobicContact CG2-CB 3.71Å; D439-H441 IonicContact OD1-CD2 3.5Å; D439-H441 PolarHBondContact OD1-CD2 3.22Å; D439-H441 IonicContact OD1-CG 2.77Å; D439-H441 PolarHBondContact OD1-N 3.33Å; D439-H441 WeakPolarHBondContact OD2-CB 3.36Å; D439-H441 PolarHBondContact OD2-N 2.84Å; D439-I442 HydrophobicContact CB-CD1 4.16Å; D439-I442 HydrophobicContact CB-CG1 4.46Å
440	R	86.2	Confident	86.5	Confident	46 Å²	46	41.2 Å²	41.2	17%	0.174	21%	0.206	C	C	.	.	S	Bend	trans	-85.3	-29.1	177	60.6	-178.8	144.1	59.9	15.4	113.1	I442 W443 I444 L470 W482 D485	R440-I442 VanDerWaalsContact C-N 3.26Å; R440-I442 PolarHBondContact O-N 2.69Å; R440-W443 WeakPolarHBondContact O-CB 3.49Å; R440-W443 PolarHBondContact O-N 3.01Å; R440-I444 PolarHBondContact O-N 3.42Å; R440-I444 VanDerWaalsContact O-N 3.08Å; R440-L470 HydrophobicContact CB-CD1 3.73Å; R440-W482 HydrophobicContact CB-CH2 4.19Å; R440-W482 HydrophobicContact CB-CZ2 3.84Å; R440-D485 WeakPolarHBondContact CD-OD2 3.39Å; R440-D485 IonicContact CZ-OD2 3.34Å; R440-D485 IonicContact NE-OD2 2.64Å; R440-D485 IonicContact NH1-OD1 3.81Å; R440-D485 IonicContact NH1-OD2 2.65Å; R440-D485 PolarHBondContact NH1-OD2 3.27Å
441	H	88	Confident	86.3	Confident	56 Å²	56	38.9 Å²	38.9	26%	0.259	19%	0.192	S	C	.	.	H	α-helix	trans	-65.7	-30.4	-175.4	-64.7	-78.7	0	0	0	112.5	L414 D439 W443 I444 T445 D485	L414-H441 HydrophobicContact CD1-CB 3.83Å; D439-H441 IonicContact OD1-CD2 3.5Å; D439-H441 PolarHBondContact OD1-CD2 3.22Å; D439-H441 IonicContact OD1-CG 2.77Å; D439-H441 PolarHBondContact OD1-N 3.33Å; D439-H441 WeakPolarHBondContact OD2-CB 3.36Å; D439-H441 PolarHBondContact OD2-N 2.84Å; H441-W443 VanDerWaalsContact C-N 3.3Å; H441-W443 PolarHBondContact O-N 3.05Å; H441-I444 PolarHBondContact O-N 3.42Å; H441-T445 WeakPolarHBondContact O-CB 3.01Å; H441-T445 WeakPolarHBondContact O-CG2 3.13Å; H441-T445 PolarHBondContact O-N 3.36Å; H441-T445 PolarHBondContact O-OG1 3.16Å; H441-D485 IonicContact CE1-OD1 3.39Å; H441-D485 PolarHBondContact CE1-OD1 3.3Å; H441-D485 IonicContact CE1-OD2 3.05Å; H441-D485 IonicContact ND1-OD1 3.58Å
442	I	89.1	Confident	86.1	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.1	-38.3	173.6	-57.2	167.7	0	0	0	111.4	V410 L414 L429 A432 R433 I436 D439 R440 T445 A446	V410-I442 HydrophobicContact CG1-CD1 4.34Å; L414-I442 HydrophobicContact CD2-CG1 4.19Å; L429-I442 HydrophobicContact CD2-CG2 3.89Å; A432-I442 HydrophobicContact CB-CD1 4Å; A432-I442 HydrophobicContact CB-CG1 4.43Å; A432-I442 HydrophobicContact CB-CG2 3.98Å; R433-I442 HydrophobicContact CG-CG2 3.69Å; I436-I442 HydrophobicContact CB-CD1 3.89Å; I436-I442 HydrophobicContact CD1-CD1 4.41Å; I436-I442 HydrophobicContact CG2-CD1 4.36Å; D439-I442 HydrophobicContact CB-CD1 4.16Å; D439-I442 HydrophobicContact CB-CG1 4.46Å; R440-I442 VanDerWaalsContact C-N 3.26Å; R440-I442 PolarHBondContact O-N 2.69Å; I442-T445 WeakPolarHBondContact CA-OG1 3.37Å; I442-T445 PolarHBondContact O-OG1 2.74Å; I442-A446 WeakPolarHBondContact O-CB 3.36Å; I442-A446 PolarHBondContact O-N 3.29Å
443	W	88	Confident	85.9	Confident	21 Å²	21	42 Å²	42	8%	0.08	23%	0.225	C	C	.	.	H	α-helix	trans	-72.3	-41.2	177.3	-70.4	100.4	0	0	0	112.3	R433 R440 H441 A446 A447 I462 R465 A466	R433-W443 VanDerWaalsContact CD-CZ2 3.5Å; R433-W443 HydrophobicContact CG-CZ2 4.31Å; R433-W443 VanDerWaalsContact NH1-CZ3 3.34Å; R440-W443 WeakPolarHBondContact O-CB 3.49Å; R440-W443 PolarHBondContact O-N 3.01Å; H441-W443 VanDerWaalsContact C-N 3.3Å; H441-W443 PolarHBondContact O-N 3.05Å; W443-A446 WeakPolarHBondContact O-CB 3.45Å; W443-A446 PolarHBondContact O-N 2.75Å; W443-A447 PolarHBondContact O-N 2.87Å; W443-I462 HydrophobicContact CE3-CG2 3.92Å; W443-I462 HydrophobicContact CZ3-CG2 4.46Å; W443-R465 HydrophobicContact CH2-CB 4.32Å; W443-R465 HydrophobicContact CZ3-CB 4.02Å; W443-A466 HydrophobicContact CB-CB 3.39Å; W443-A466 HydrophobicContact CD2-CB 3.43Å; W443-A466 VanDerWaalsContact CD2-CB 3.43Å; W443-A466 HydrophobicContact CE3-CB 3.69Å; W443-A466 HydrophobicContact CG-CB 3.31Å
444	I	87.8	Confident	85.4	Confident	9 Å²	9	42 Å²	42	5%	0.046	24%	0.242	C	C	.	.	H	α-helix	trans	-65.7	-41.5	177.7	-64.1	177	0	0	0	110.4	R440 H441 A447 K448 W482 D485 I501	R440-I444 PolarHBondContact O-N 3.42Å; R440-I444 VanDerWaalsContact O-N 3.08Å; H441-I444 PolarHBondContact O-N 3.42Å; I444-A447 CarbonylContact O-C 3.58Å; I444-A447 WeakPolarHBondContact O-CA 3.4Å; I444-A447 VanDerWaalsContact O-CB 3.32Å; I444-A447 WeakPolarHBondContact O-CB 3.18Å; I444-A447 PolarHBondContact O-N 3.19Å; I444-A447 VanDerWaalsContact O-N 3.15Å; I444-K448 HydrophobicContact CG2-CD 4.24Å; I444-K448 WeakPolarHBondContact O-CG 3.19Å; I444-K448 PolarHBondContact O-N 3.1Å; I444-W482 HydrophobicContact CD1-CE3 4.13Å; I444-W482 HydrophobicContact CD1-CZ3 4.14Å; I444-W482 HydrophobicContact CG1-CZ3 4.24Å; I444-D485 HydrophobicContact CD1-CB 3.51Å; I444-D485 WeakPolarHBondContact CD1-OD2 3.19Å; I444-I501 HydrophobicContact CB-CD1 4.42Å; I444-I501 HydrophobicContact CD1-CD1 4.14Å; I444-I501 HydrophobicContact CG1-CD1 3.94Å; I444-I501 HydrophobicContact CG2-CD1 3.84Å
445	T	86.6	Confident	85.2	Confident	24 Å²	24	38.6 Å²	38.6	15%	0.147	23%	0.228	C	C	.	.	H	α-helix	trans	-68.1	-35	174.8	47.8	0	0	0	0	113.1	L414 H441 I442 A447 K448 L449	L414-T445 HydrophobicContact CB-CG2 4.28Å; L414-T445 HydrophobicContact CD1-CG2 3.91Å; L414-T445 HydrophobicContact CD2-CG2 3.68Å; L414-T445 WeakPolarHBondContact CD2-OG1 3.3Å; L414-T445 HydrophobicContact CG-CG2 4.13Å; H441-T445 WeakPolarHBondContact O-CB 3.01Å; H441-T445 WeakPolarHBondContact O-CG2 3.13Å; H441-T445 PolarHBondContact O-N 3.36Å; H441-T445 PolarHBondContact O-OG1 3.16Å; I442-T445 WeakPolarHBondContact CA-OG1 3.37Å; I442-T445 PolarHBondContact O-OG1 2.74Å; T445-A447 VanDerWaalsContact C-N 3.27Å; T445-A447 PolarHBondContact O-N 3.19Å; T445-K448 PolarHBondContact O-N 3Å; T445-L449 WeakPolarHBondContact O-CB 3.47Å; T445-L449 PolarHBondContact O-N 3.15Å
446	A	85.6	Confident	84.7	Confident	8 Å²	8	39 Å²	39	7%	0.066	23%	0.234	C	C	.	.	H	α-helix	trans	-60	-40.6	168.7	0	0	0	0	0	111.5	L429 I442 W443 L449 E450 I462	L429-A446 HydrophobicContact CD1-CB 3.91Å; I442-A446 WeakPolarHBondContact O-CB 3.36Å; I442-A446 PolarHBondContact O-N 3.29Å; W443-A446 WeakPolarHBondContact O-CB 3.45Å; W443-A446 PolarHBondContact O-N 2.75Å; A446-L449 PolarHBondContact O-N 3.1Å; A446-E450 WeakPolarHBondContact O-CG 3.39Å; A446-E450 PolarHBondContact O-N 2.93Å; A446-E450 VanDerWaalsContact O-N 3.13Å; A446-I462 HydrophobicContact CB-CG2 4.24Å
447	A	85.6	Confident	84.5	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64	-48.3	174.9	0	0	0	0	0	111.1	W443 I444 T445 L449 E450 E451 V459 I462 I463 T497	W443-A447 PolarHBondContact O-N 2.87Å; I444-A447 CarbonylContact O-C 3.58Å; I444-A447 WeakPolarHBondContact O-CA 3.4Å; I444-A447 VanDerWaalsContact O-CB 3.32Å; I444-A447 WeakPolarHBondContact O-CB 3.18Å; I444-A447 PolarHBondContact O-N 3.19Å; I444-A447 VanDerWaalsContact O-N 3.15Å; T445-A447 VanDerWaalsContact C-N 3.27Å; T445-A447 PolarHBondContact O-N 3.19Å; A447-L449 VanDerWaalsContact C-N 3.29Å; A447-L449 PolarHBondContact O-N 3.18Å; A447-E450 PolarHBondContact O-N 3.09Å; A447-E451 PolarHBondContact O-N 3.24Å; A447-V459 HydrophobicContact CB-CG1 4.32Å; A447-I462 HydrophobicContact CB-CG2 4.41Å; A447-I463 HydrophobicContact CB-CD1 4.26Å; A447-I463 HydrophobicContact CB-CG1 4.22Å; A447-T497 HydrophobicContact CB-CG2 3.71Å; A447-T497 WeakPolarHBondContact O-CG2 3.49Å
448	K	84.9	Confident	84.4	Confident	34 Å²	34	46.2 Å²	46.2	15%	0.148	26%	0.264	C	S	.	.	H	α-helix	trans	-58.8	-37.8	176.8	-68	176.3	87.8	166.7	0	112.4	I444 T445 E451 A452 A492	I444-K448 HydrophobicContact CG2-CD 4.24Å; I444-K448 WeakPolarHBondContact O-CG 3.19Å; I444-K448 PolarHBondContact O-N 3.1Å; T445-K448 PolarHBondContact O-N 3Å; K448-E451 PolarHBondContact O-N 2.85Å; K448-A452 WeakPolarHBondContact O-CB 3.46Å; K448-A452 PolarHBondContact O-N 2.94Å; K448-A492 VanDerWaalsContact NZ-CB 3.29Å
449	L	85.6	Confident	84.3	Confident	25 Å²	25	42.1 Å²	42.1	13%	0.131	24%	0.239	C	C	.	.	H	α-helix	trans	-65.5	-45.4	176.5	-179.2	69.8	0	0	0	111.8	Y422 A425 L429 T445 A446 A447 E451 A452 N453	Y422-L449 HydrophobicContact CD2-CD2 4.29Å; Y422-L449 HydrophobicContact CD2-CG 4.06Å; A425-L449 HydrophobicContact CB-CD1 4.22Å; A425-L449 HydrophobicContact CB-CD2 3.55Å; L429-L449 HydrophobicContact CD1-CD2 3.85Å; T445-L449 WeakPolarHBondContact O-CB 3.47Å; T445-L449 PolarHBondContact O-N 3.15Å; A446-L449 PolarHBondContact O-N 3.1Å; A447-L449 VanDerWaalsContact C-N 3.29Å; A447-L449 PolarHBondContact O-N 3.18Å; L449-E451 VanDerWaalsContact C-N 3.3Å; L449-E451 PolarHBondContact O-N 2.95Å; L449-A452 PolarHBondContact O-N 2.75Å; L449-N453 PolarHBondContact O-N 3.13Å; L449-N453 PolarHBondContact O-OD1 2.82Å; L449-N453 VanDerWaalsContact O-OD1 3.05Å
450	E	84.2	Confident	84.3	Confident	10 Å²	10	45.8 Å²	45.8	5%	0.047	26%	0.255	C	S	.	.	H	α-helix	trans	-64.3	-36.5	177.4	-68.6	-66.6	169.4	0	0	112.2	Y422 A446 A447 N453 G454 N455 V459 I462	Y422-E450 WeakPolarHBondContact CE2-OE2 3.38Å; Y422-E450 PolarHBondContact OH-OE1 2.97Å; Y422-E450 PolarHBondContact OH-OE2 3.49Å; A446-E450 WeakPolarHBondContact O-CG 3.39Å; A446-E450 PolarHBondContact O-N 2.93Å; A446-E450 VanDerWaalsContact O-N 3.13Å; A447-E450 PolarHBondContact O-N 3.09Å; E450-N453 PolarHBondContact O-N 3.28Å; E450-G454 PolarHBondContact O-N 2.96Å; E450-N455 HydrophobicContact CB-CB 4.34Å; E450-N455 PolarHBondContact O-N 2.6Å; E450-N455 WeakPolarHBondContact OE2-CB 3.49Å; E450-N455 PolarHBondContact OE2-ND2 3.32Å; E450-N455 VanDerWaalsContact OE2-ND2 3.08Å; E450-V459 HydrophobicContact CB-CG2 4.14Å; E450-I462 HydrophobicContact CB-CD1 4.42Å; E450-I462 HydrophobicContact CG-CD1 3.51Å
451	E	85.3	Confident	84.4	Confident	30 Å²	30	49.2 Å²	49.2	14%	0.14	27%	0.271	C	S	.	.	H	α-helix	trans	-65.9	-46.1	174.6	-174.6	175.2	-179.8	0	0	111.9	A447 K448 L449 N453 G454 V459 S494 V495 A496 T497	A447-E451 PolarHBondContact O-N 3.24Å; K448-E451 PolarHBondContact O-N 2.85Å; L449-E451 VanDerWaalsContact C-N 3.3Å; L449-E451 PolarHBondContact O-N 2.95Å; E451-N453 PolarHBondContact O-N 3.1Å; E451-N453 VanDerWaalsContact O-N 3.16Å; E451-G454 PolarHBondContact O-N 3.21Å; E451-V459 HydrophobicContact CB-CG2 4.18Å; E451-S494 VanDerWaalsContact CD-C 3.41Å; E451-S494 WeakPolarHBondContact OE1-CA 3.49Å; E451-S494 WeakPolarHBondContact OE2-CA 3.41Å; E451-S494 VanDerWaalsContact OE2-CB 3.3Å; E451-S494 WeakPolarHBondContact OE2-CB 3.4Å; E451-V495 PolarHBondContact OE1-N 2.63Å; E451-A496 HydrophobicContact CG-CB 4.31Å; E451-A496 WeakPolarHBondContact OE1-CB 3.42Å; E451-A496 PolarHBondContact OE1-N 3.43Å; E451-A496 PolarHBondContact OE2-N 3.11Å; E451-T497 HydrophobicContact CB-CG2 3.75Å; E451-T497 HydrophobicContact CG-CG2 4.48Å; E451-T497 VanDerWaalsContact OE2-CB 3.32Å; E451-T497 WeakPolarHBondContact OE2-CB 3.46Å; E451-T497 WeakPolarHBondContact OE2-CG2 3.49Å; E451-T497 PolarHBondContact OE2-N 3.4Å; E451-T497 PolarHBondContact OE2-OG1 3.13Å
452	A	84.2	Confident	84.3	Confident	83 Å²	83	47.1 Å²	47.1	69%	0.686	26%	0.261	S	S	*	.	H	α-helix	trans	-59.1	-28.7	178.1	0	0	0	0	0	112.8	K448 L449	K448-A452 WeakPolarHBondContact O-CB 3.46Å; K448-A452 PolarHBondContact O-N 2.94Å; L449-A452 PolarHBondContact O-N 2.75Å
453	N	81.8	Confident	84.2	Confident	86 Å²	86	47.2 Å²	47.2	46%	0.46	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	1.6	178.7	-75.5	83	0	0	0	114.2	Y422 L449 E450 E451	Y422-N453 WeakPolarHBondContact CB-ND2 3.4Å; Y422-N453 HydrophobicContact CD2-CB 3.84Å; Y422-N453 VanDerWaalsContact CD2-CG 3.5Å; Y422-N453 HydrophobicContact CE2-CB 4.16Å; Y422-N453 HydrophobicContact CG-CB 4.46Å; L449-N453 PolarHBondContact O-N 3.13Å; L449-N453 PolarHBondContact O-OD1 2.82Å; L449-N453 VanDerWaalsContact O-OD1 3.05Å; E450-N453 PolarHBondContact O-N 3.28Å; E451-N453 PolarHBondContact O-N 3.1Å; E451-N453 VanDerWaalsContact O-N 3.16Å
454	G	77.6	Confident	84.1	Confident	54 Å²	54	50.2 Å²	50.2	56%	0.557	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.8	3.7	173.7	0	0	0	0	0	116.2	E450 E451 T456	E450-G454 PolarHBondContact O-N 2.96Å; E451-G454 PolarHBondContact O-N 3.21Å; G454-T456 PolarHBondContact O-N 3.28Å
455	N	82.9	Confident	84.1	Confident	77 Å²	77	56.7 Å²	56.7	41%	0.412	30%	0.303	S	S	.	.			trans	-90	62.6	179.8	-75.4	-26.2	0	0	0	112.4	Y422 E450 Q457 M458	Y422-N455 PolarHBondContact OH-ND2 2.95Å; E450-N455 HydrophobicContact CB-CB 4.34Å; E450-N455 PolarHBondContact O-N 2.6Å; E450-N455 WeakPolarHBondContact OE2-CB 3.49Å; E450-N455 PolarHBondContact OE2-ND2 3.32Å; E450-N455 VanDerWaalsContact OE2-ND2 3.08Å; N455-Q457 VanDerWaalsContact C-N 3.3Å; N455-Q457 PolarHBondContact O-N 2.94Å; N455-M458 HydrophobicContact CB-CB 4.42Å; N455-M458 PolarHBondContact O-N 3.01Å
456	T	76.6	Confident	84	Confident	83 Å²	83	55.6 Å²	55.6	51%	0.509	30%	0.297	S	S	.	.	H	α-helix	trans	-62	-29.1	-174	56	0	0	0	0	114.8	G454 M458 V459	G454-T456 PolarHBondContact O-N 3.28Å; T456-M458 VanDerWaalsContact C-N 3.35Å; T456-V459 WeakPolarHBondContact O-CB 3.45Å
457	Q	81.3	Confident	84	Confident	162 Å²	162	55.8 Å²	55.8	76%	0.757	30%	0.297	S	S	*	.	H	α-helix	trans	-75.3	-23.8	-179.9	-61.8	175.7	8.8	0	0	113.3	N455 V459	N455-Q457 VanDerWaalsContact C-N 3.3Å; N455-Q457 PolarHBondContact O-N 2.94Å; Q457-V459 VanDerWaalsContact C-N 3.35Å
458	M	82.2	Confident	84.1	Confident	52 Å²	52	60.3 Å²	60.3	26%	0.256	33%	0.325	S	S	.	.	H	α-helix	trans	-79.3	-25.2	-178.6	-168.8	60.7	-161.6	0	0	111.6	N455 T456 E460 K461 I462	N455-M458 HydrophobicContact CB-CB 4.42Å; N455-M458 PolarHBondContact O-N 3.01Å; T456-M458 VanDerWaalsContact C-N 3.35Å; M458-E460 PolarHBondContact O-N 3.47Å; M458-K461 HydrophobicContact CE-CB 4.37Å; M458-K461 PolarHBondContact O-N 3.28Å; M458-K461 HydrophobicContact SD-CB 4.28Å; M458-K461 HydrophobicContact SD-CD 4.19Å; M458-I462 HydrophobicContact CE-CD1 4.46Å; M458-I462 HydrophobicContact CE-CG1 3.97Å; M458-I462 HydrophobicContact CG-CD1 3.89Å; M458-I462 HydrophobicContact CG-CG1 4.19Å; M458-I462 WeakPolarHBondContact O-CG1 3.38Å; M458-I462 PolarHBondContact O-N 2.9Å
459	V	83.9	Confident	84.1	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.012	33%	0.33	C	S	.	.	H	α-helix	trans	-53.3	-51.5	179	166.5	0	0	0	0	112.2	A447 E450 E451 T456 Q457 K461 I462 I463 T497 A500	A447-V459 HydrophobicContact CB-CG1 4.32Å; E450-V459 HydrophobicContact CB-CG2 4.14Å; E451-V459 HydrophobicContact CB-CG2 4.18Å; T456-V459 WeakPolarHBondContact O-CB 3.45Å; Q457-V459 VanDerWaalsContact C-N 3.35Å; V459-K461 VanDerWaalsContact C-N 3.35Å; V459-K461 PolarHBondContact O-N 3.38Å; V459-I462 PolarHBondContact O-N 2.8Å; V459-I462 VanDerWaalsContact O-N 3.16Å; V459-I463 HydrophobicContact CG1-CD1 3.88Å; V459-I463 WeakPolarHBondContact O-CG1 2.97Å; V459-I463 PolarHBondContact O-N 3.45Å; V459-I463 VanDerWaalsContact O-N 3.09Å; V459-T497 HydrophobicContact CB-CG2 4.19Å; V459-T497 HydrophobicContact CG1-CG2 3.37Å; V459-T497 HydrophobicContact CG2-CG2 3.75Å; V459-A500 HydrophobicContact CG1-CB 4.04Å
460	E	83.8	Confident	84.1	Confident	99 Å²	99	59.4 Å²	59.4	46%	0.463	33%	0.325	S	S	.	.	H	α-helix	trans	-61	-44.5	-179.6	-173.1	173.8	-153.5	0	0	111.1	M458 I462 I463 D464 A500	M458-E460 PolarHBondContact O-N 3.47Å; E460-I462 VanDerWaalsContact C-N 3.28Å; E460-I462 PolarHBondContact O-N 2.95Å; E460-I463 PolarHBondContact O-N 3.44Å; E460-D464 PolarHBondContact O-N 2.85Å; E460-A500 HydrophobicContact CB-CB 4.44Å
461	K	86.9	Confident	84.1	Confident	118 Å²	118	66.4 Å²	66.4	51%	0.513	35%	0.35	S	S	.	.	H	α-helix	trans	-63.7	-32.4	177.4	-63.2	-179.4	-177.3	173.9	0	112.9	M458 V459 R465	M458-K461 HydrophobicContact CE-CB 4.37Å; M458-K461 PolarHBondContact O-N 3.28Å; M458-K461 HydrophobicContact SD-CB 4.28Å; M458-K461 HydrophobicContact SD-CD 4.19Å; V459-K461 VanDerWaalsContact C-N 3.35Å; V459-K461 PolarHBondContact O-N 3.38Å; K461-R465 WeakPolarHBondContact O-CB 3.31Å; K461-R465 WeakPolarHBondContact O-CD 3.4Å; K461-R465 WeakPolarHBondContact O-CG 3.36Å; K461-R465 PolarHBondContact O-N 2.86Å
462	I	86.6	Confident	84.2	Confident	12 Å²	12	69 Å²	69	6%	0.062	38%	0.377	C	S	.	.	H	α-helix	trans	-70.5	-42	177.2	-71.5	168.4	0	0	0	110.2	W443 A446 A447 E450 M458 V459 E460 R465 A466	W443-I462 HydrophobicContact CE3-CG2 3.92Å; W443-I462 HydrophobicContact CZ3-CG2 4.46Å; A446-I462 HydrophobicContact CB-CG2 4.24Å; A447-I462 HydrophobicContact CB-CG2 4.41Å; E450-I462 HydrophobicContact CB-CD1 4.42Å; E450-I462 HydrophobicContact CG-CD1 3.51Å; M458-I462 HydrophobicContact CE-CD1 4.46Å; M458-I462 HydrophobicContact CE-CG1 3.97Å; M458-I462 HydrophobicContact CG-CD1 3.89Å; M458-I462 HydrophobicContact CG-CG1 4.19Å; M458-I462 WeakPolarHBondContact O-CG1 3.38Å; M458-I462 PolarHBondContact O-N 2.9Å; V459-I462 PolarHBondContact O-N 2.8Å; V459-I462 VanDerWaalsContact O-N 3.16Å; E460-I462 VanDerWaalsContact C-N 3.28Å; E460-I462 PolarHBondContact O-N 2.95Å; I462-R465 PolarHBondContact O-N 3.22Å; I462-A466 WeakPolarHBondContact O-CB 3.15Å; I462-A466 PolarHBondContact O-N 3.46Å
463	I	86.1	Confident	84.2	Confident	3 Å²	3	68.6 Å²	68.6	2%	0.015	36%	0.363	C	S	.	.	H	α-helix	trans	-68.6	-40.7	179.8	-68.4	157.7	0	0	0	111.1	A447 V459 E460 R465 A466 I467 A500 I501 A504	A447-I463 HydrophobicContact CB-CD1 4.26Å; A447-I463 HydrophobicContact CB-CG1 4.22Å; V459-I463 HydrophobicContact CG1-CD1 3.88Å; V459-I463 WeakPolarHBondContact O-CG1 2.97Å; V459-I463 PolarHBondContact O-N 3.45Å; V459-I463 VanDerWaalsContact O-N 3.09Å; E460-I463 PolarHBondContact O-N 3.44Å; I463-R465 VanDerWaalsContact C-N 3.33Å; I463-R465 PolarHBondContact O-N 3.01Å; I463-A466 VanDerWaalsContact O-CB 3.28Å; I463-A466 WeakPolarHBondContact O-CB 3.45Å; I463-A466 PolarHBondContact O-N 2.87Å; I463-A466 VanDerWaalsContact O-N 3.13Å; I463-I467 HydrophobicContact CG2-CD1 4Å; I463-I467 WeakPolarHBondContact O-CG1 3.36Å; I463-I467 PolarHBondContact O-N 3.38Å; I463-A500 HydrophobicContact CD1-CB 3.41Å; I463-A500 VanDerWaalsContact CD1-CB 3.41Å; I463-I501 HydrophobicContact CD1-CG1 3.65Å; I463-I501 HydrophobicContact CG1-CG1 4.11Å; I463-I501 HydrophobicContact CG2-CG1 4.48Å; I463-A504 HydrophobicContact CG2-CB 4.07Å
464	D	86.9	Confident	84	Confident	84 Å²	84	67.6 Å²	67.6	45%	0.449	37%	0.373	S	S	.	.	H	α-helix	trans	-61.1	-42.7	173.8	-76.9	-19	0	0	0	111.9	E460 A466 T468	E460-D464 PolarHBondContact O-N 2.85Å; D464-A466 VanDerWaalsContact C-N 3.33Å; D464-T468 WeakPolarHBondContact O-CB 3.48Å; D464-T468 PolarHBondContact O-N 2.88Å; D464-T468 PolarHBondContact O-OG1 3.46Å
465	R	86.8	Confident	84.2	Confident	144 Å²	144	67.9 Å²	67.9	54%	0.543	36%	0.364	S	S	.	.	H	α-helix	trans	-65.1	-37.4	174.1	-73.4	171.8	-173.5	-179.6	1.6	111.9	W443 K461 I462 I463 T468 S469	W443-R465 HydrophobicContact CH2-CB 4.32Å; W443-R465 HydrophobicContact CZ3-CB 4.02Å; K461-R465 WeakPolarHBondContact O-CB 3.31Å; K461-R465 WeakPolarHBondContact O-CD 3.4Å; K461-R465 WeakPolarHBondContact O-CG 3.36Å; K461-R465 PolarHBondContact O-N 2.86Å; I462-R465 PolarHBondContact O-N 3.22Å; I463-R465 VanDerWaalsContact C-N 3.33Å; I463-R465 PolarHBondContact O-N 3.01Å; R465-T468 PolarHBondContact O-N 2.85Å; R465-S469 VanDerWaalsContact O-CB 3.3Å; R465-S469 WeakPolarHBondContact O-CB 3.48Å; R465-S469 PolarHBondContact O-N 3.37Å
466	A	86.1	Confident	83.7	Confident	1 Å²	1	71.3 Å²	71.3	1%	0.008	38%	0.378	C	S	.	.	H	α-helix	trans	-60.2	-53.5	176.4	0	0	0	0	0	110.5	W443 I462 I463 D464 T468 S469 L470	W443-A466 HydrophobicContact CB-CB 3.39Å; W443-A466 HydrophobicContact CD2-CB 3.43Å; W443-A466 VanDerWaalsContact CD2-CB 3.43Å; W443-A466 HydrophobicContact CE3-CB 3.69Å; W443-A466 HydrophobicContact CG-CB 3.31Å; I462-A466 WeakPolarHBondContact O-CB 3.15Å; I462-A466 PolarHBondContact O-N 3.46Å; I463-A466 VanDerWaalsContact O-CB 3.28Å; I463-A466 WeakPolarHBondContact O-CB 3.45Å; I463-A466 PolarHBondContact O-N 2.87Å; I463-A466 VanDerWaalsContact O-N 3.13Å; D464-A466 VanDerWaalsContact C-N 3.33Å; A466-T468 VanDerWaalsContact C-N 3.28Å; A466-T468 PolarHBondContact O-N 3.32Å; A466-S469 PolarHBondContact O-N 2.84Å; A466-L470 VanDerWaalsContact O-CB 3.26Å; A466-L470 WeakPolarHBondContact O-CB 3.43Å; A466-L470 WeakPolarHBondContact O-CG 3.45Å; A466-L470 PolarHBondContact O-N 3.15Å
467	I	84.4	Confident	83.7	Confident	12 Å²	12	68.9 Å²	68.9	6%	0.062	36%	0.361	C	S	.	.	H	α-helix	trans	-60.2	-40.8	179.6	-70.8	166.6	0	0	0	110.9	I463 R471 I477 W482 A504 I508	I463-I467 HydrophobicContact CG2-CD1 4Å; I463-I467 WeakPolarHBondContact O-CG1 3.36Å; I463-I467 PolarHBondContact O-N 3.38Å; I467-R471 WeakPolarHBondContact O-CB 3.29Å; I467-R471 PolarHBondContact O-N 3.13Å; I467-I477 HydrophobicContact CG2-CD1 3.67Å; I467-W482 HydrophobicContact CG1-CH2 4.07Å; I467-W482 HydrophobicContact CG1-CZ2 4.4Å; I467-A504 HydrophobicContact CD1-CB 3.39Å; I467-I508 HydrophobicContact CG2-CD1 4.28Å
468	T	87.4	Confident	83.6	Confident	96 Å²	96	64.1 Å²	64.1	59%	0.589	34%	0.341	S	S	*	.	H	α-helix	trans	-64.4	-46.3	177.1	-55.6	0	0	0	0	111.7	D464 R465 A466 A472	D464-T468 WeakPolarHBondContact O-CB 3.48Å; D464-T468 PolarHBondContact O-N 2.88Å; D464-T468 PolarHBondContact O-OG1 3.46Å; R465-T468 PolarHBondContact O-N 2.85Å; A466-T468 VanDerWaalsContact C-N 3.28Å; A466-T468 PolarHBondContact O-N 3.32Å; T468-A472 WeakPolarHBondContact O-CB 3.36Å; T468-A472 PolarHBondContact O-N 3.16Å
469	S	86.5	Confident	83.4	Confident	38 Å²	38	63.7 Å²	63.7	27%	0.266	34%	0.337	S	S	.	.	H	α-helix	trans	-67.6	-41.3	179.6	-171.8	0	0	0	0	112.3	R465 A466 A472 N473	R465-S469 VanDerWaalsContact O-CB 3.3Å; R465-S469 WeakPolarHBondContact O-CB 3.48Å; R465-S469 PolarHBondContact O-N 3.37Å; A466-S469 PolarHBondContact O-N 2.84Å; S469-A472 PolarHBondContact O-N 2.84Å; S469-N473 WeakPolarHBondContact O-CB 3.08Å; S469-N473 VanDerWaalsContact O-CG 3.26Å; S469-N473 PolarHBondContact O-N 3.28Å; S469-N473 PolarHBondContact O-ND2 2.85Å
470	L	85	Confident	83.3	Confident	2 Å²	2	70.9 Å²	70.9	1%	0.01	37%	0.37	C	S	.	.	H	α-helix	trans	-67.9	-40	179	-70.7	171.1	0	0	0	110.8	T438 R440 A466 N473 G474 V475 W482	T438-L470 WeakPolarHBondContact O-CD2 3.31Å; R440-L470 HydrophobicContact CB-CD1 3.73Å; A466-L470 VanDerWaalsContact O-CB 3.26Å; A466-L470 WeakPolarHBondContact O-CB 3.43Å; A466-L470 WeakPolarHBondContact O-CG 3.45Å; A466-L470 PolarHBondContact O-N 3.15Å; L470-N473 CarbonylContact O-C 3.44Å; L470-N473 PolarHBondContact O-N 3.1Å; L470-G474 PolarHBondContact O-N 3.36Å; L470-G474 VanDerWaalsContact O-N 3.16Å; L470-V475 HydrophobicContact CB-CG1 3.54Å; L470-V475 HydrophobicContact CD2-CG1 3.73Å; L470-V475 HydrophobicContact CG-CG1 4.16Å; L470-V475 WeakPolarHBondContact O-CG1 3.21Å; L470-V475 PolarHBondContact O-N 2.06Å; L470-V475 VanDerWaalsContact O-N 3.17Å; L470-W482 HydrophobicContact CD1-CH2 3.98Å; L470-W482 HydrophobicContact CD1-CZ2 3.58Å
471	R	84.8	Confident	83.3	Confident	156 Å²	156	69.6 Å²	69.6	59%	0.589	36%	0.364	S	S	*	.	H	α-helix	trans	-63.5	-40.5	172	-171.2	-178.8	-62.8	171.8	1.5	112	I467 N473 G474	I467-R471 WeakPolarHBondContact O-CB 3.29Å; I467-R471 PolarHBondContact O-N 3.13Å; R471-N473 VanDerWaalsContact C-N 3.28Å; R471-N473 PolarHBondContact O-N 3.45Å; R471-G474 PolarHBondContact O-N 3.24Å
472	A	86.7	Confident	83.3	Confident	84 Å²	84	64.2 Å²	64.2	69%	0.694	34%	0.34	S	S	*	.	H	α-helix	trans	-64.8	-33	176.3	0	0	0	0	0	112.5	T468 S469 G474	T468-A472 WeakPolarHBondContact O-CB 3.36Å; T468-A472 PolarHBondContact O-N 3.16Å; S469-A472 PolarHBondContact O-N 2.84Å; A472-G474 VanDerWaalsContact C-N 3.28Å; A472-G474 PolarHBondContact O-N 2.93Å
473	N	83.6	Confident	83.1	Confident	75 Å²	75	64.2 Å²	64.2	40%	0.401	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	1.5	176.6	-66	-24.1	0	0	0	113.6	P437 S469 L470 R471	P437-N473 WeakPolarHBondContact CB-ND2 3.3Å; P437-N473 PolarHBondContact O-ND2 3.29Å; S469-N473 WeakPolarHBondContact O-CB 3.08Å; S469-N473 VanDerWaalsContact O-CG 3.26Å; S469-N473 PolarHBondContact O-N 3.28Å; S469-N473 PolarHBondContact O-ND2 2.85Å; L470-N473 CarbonylContact O-C 3.44Å; L470-N473 PolarHBondContact O-N 3.1Å; R471-N473 VanDerWaalsContact C-N 3.28Å; R471-N473 PolarHBondContact O-N 3.45Å
474	G	78.6	Confident	83.1	Confident	65 Å²	65	69.6 Å²	69.6	67%	0.67	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	16.6	172.8	0	0	0	0	0	115.8	L470 R471 A472	L470-G474 PolarHBondContact O-N 3.36Å; L470-G474 VanDerWaalsContact O-N 3.16Å; R471-G474 PolarHBondContact O-N 3.24Å; A472-G474 VanDerWaalsContact C-N 3.28Å; A472-G474 PolarHBondContact O-N 2.93Å
475	V	80.9	Confident	83.1	Confident	61 Å²	61	66.1 Å²	66.1	37%	0.37	35%	0.347	S	S	.	.			trans	-84.6	124.9	171.5	66	0	0	0	0	110.1	L470	L470-V475 HydrophobicContact CB-CG1 3.54Å; L470-V475 HydrophobicContact CD2-CG1 3.73Å; L470-V475 HydrophobicContact CG-CG1 4.16Å; L470-V475 WeakPolarHBondContact O-CG1 3.21Å; L470-V475 PolarHBondContact O-N 2.06Å; L470-V475 VanDerWaalsContact O-N 3.17Å
476	E	72.6	Confident	83	Confident	148 Å²	148	59.3 Å²	59.3	69%	0.692	32%	0.321	S	S	*	.			trans	-68.2	137.8	173.4	64.7	-176	170.9	0	0	110.8	N478	E476-N478 PolarHBondContact O-N 3.42Å; E476-N478 VanDerWaalsContact O-N 3.1Å
477	I	76.3	Confident	82.8	Confident	33 Å²	33	60 Å²	60	17%	0.169	32%	0.324	C	S	.	.			trans	-83.9	92.8	-177.2	-59.6	169.2	0	0	0	107.1	I467 R479 W482 I508	I467-I477 HydrophobicContact CG2-CD1 3.67Å; I477-R479 PolarHBondContact O-N 2.95Å; I477-R479 VanDerWaalsContact O-N 3.13Å; I477-W482 HydrophobicContact CG2-CG 4.28Å; I477-I508 HydrophobicContact CD1-CD1 3.99Å
478	N	78.9	Confident	82.8	Confident	61 Å²	61	64.7 Å²	64.7	33%	0.326	35%	0.346	S	S	.	.			trans	-69	106.7	175	-74.6	-24.9	0	0	0	110.7	E476 E480 Q481 W482	E476-N478 PolarHBondContact O-N 3.42Å; E476-N478 VanDerWaalsContact O-N 3.1Å; N478-E480 VanDerWaalsContact C-N 3.29Å; N478-E480 PolarHBondContact O-N 2.79Å; N478-Q481 HydrophobicContact CB-CB 4.12Å; N478-Q481 HydrophobicContact CB-CG 3.95Å; N478-Q481 PolarHBondContact ND2-OE1 3.24Å; N478-Q481 PolarHBondContact O-N 3.01Å; N478-Q481 VanDerWaalsContact O-N 3.15Å; N478-W482 VanDerWaalsContact O-CD1 3.28Å; N478-W482 PolarHBondContact O-N 3.2Å
479	R	78.2	Confident	82.6	Confident	44 Å²	44	60.1 Å²	60.1	17%	0.166	32%	0.318	C	S	.	.	H	α-helix	trans	-48.3	-48.7	-179.1	-175.9	-171.9	-177.8	84	1	112.7	I477 Q481 W482 I483 V505 I506 I510 W519 D522	I477-R479 PolarHBondContact O-N 2.95Å; I477-R479 VanDerWaalsContact O-N 3.13Å; R479-Q481 PolarHBondContact O-N 3.03Å; R479-W482 PolarHBondContact O-N 2.92Å; R479-I483 HydrophobicContact CG-CD1 3.79Å; R479-I483 HydrophobicContact CG-CG1 4.48Å; R479-I483 VanDerWaalsContact O-CG1 3.29Å; R479-I483 WeakPolarHBondContact O-CG1 3.31Å; R479-I483 PolarHBondContact O-N 3.42Å; R479-V505 HydrophobicContact CG-CG1 4.25Å; R479-I506 PolarHBondContact NH1-O 3.38Å; R479-I510 VanDerWaalsContact CZ-CD1 3.45Å; R479-W519 VanDerWaalsContact NH2-CD1 3.26Å; R479-D522 IonicContact CZ-OD2 2.7Å; R479-D522 IonicContact NE-OD2 3.76Å; R479-D522 PolarHBondContact NE-OD2 3.22Å; R479-D522 IonicContact NH2-OD2 3.27Å; R479-D522 PolarHBondContact NH2-OD2 3.15Å
480	E	81.7	Confident	82.4	Confident	152 Å²	152	59.4 Å²	59.4	71%	0.71	31%	0.311	S	S	*	.	H	α-helix	trans	-62.1	-42	-177.3	-65.7	177.8	-176.6	0	0	112.9	N478 W482 I483 Q484	N478-E480 VanDerWaalsContact C-N 3.29Å; N478-E480 PolarHBondContact O-N 2.79Å; E480-W482 PolarHBondContact O-N 3.34Å; E480-I483 PolarHBondContact O-N 3.13Å; E480-Q484 WeakPolarHBondContact O-CG 3.45Å; E480-Q484 PolarHBondContact O-N 3.22Å
481	Q	84.7	Confident	82.3	Confident	72 Å²	72	66 Å²	66	34%	0.336	34%	0.34	S	S	.	.	H	α-helix	trans	-66.9	-39.8	-179.5	-66.1	179	-13.3	0	0	111.2	N478 R479 Q484 D485	N478-Q481 HydrophobicContact CB-CB 4.12Å; N478-Q481 HydrophobicContact CB-CG 3.95Å; N478-Q481 PolarHBondContact ND2-OE1 3.24Å; N478-Q481 PolarHBondContact O-N 3.01Å; N478-Q481 VanDerWaalsContact O-N 3.15Å; R479-Q481 PolarHBondContact O-N 3.03Å; Q481-Q484 PolarHBondContact O-N 3.45Å; Q481-D485 WeakPolarHBondContact O-CB 3.48Å; Q481-D485 PolarHBondContact O-N 3.09Å
482	W	86.3	Confident	82.1	Confident	5 Å²	5	61.5 Å²	61.5	2%	0.019	34%	0.336	C	S	.	.	H	α-helix	trans	-70.9	-32.7	176.7	-78.7	86.6	0	0	0	112.9	R440 I444 I467 L470 I477 N478 R479 E480 A486 I501 V505	R440-W482 HydrophobicContact CB-CH2 4.19Å; R440-W482 HydrophobicContact CB-CZ2 3.84Å; I444-W482 HydrophobicContact CD1-CE3 4.13Å; I444-W482 HydrophobicContact CD1-CZ3 4.14Å; I444-W482 HydrophobicContact CG1-CZ3 4.24Å; I467-W482 HydrophobicContact CG1-CH2 4.07Å; I467-W482 HydrophobicContact CG1-CZ2 4.4Å; L470-W482 HydrophobicContact CD1-CH2 3.98Å; L470-W482 HydrophobicContact CD1-CZ2 3.58Å; I477-W482 HydrophobicContact CG2-CG 4.28Å; N478-W482 VanDerWaalsContact O-CD1 3.28Å; N478-W482 PolarHBondContact O-N 3.2Å; R479-W482 PolarHBondContact O-N 2.92Å; E480-W482 PolarHBondContact O-N 3.34Å; W482-A486 WeakPolarHBondContact O-CB 3.41Å; W482-A486 PolarHBondContact O-N 2.93Å; W482-I501 HydrophobicContact CE3-CG2 3.79Å; W482-I501 HydrophobicContact CZ3-CG2 4.46Å; W482-V505 HydrophobicContact CB-CB 4.27Å; W482-V505 HydrophobicContact CB-CG1 3.73Å; W482-V505 HydrophobicContact CB-CG2 3.61Å; W482-V505 HydrophobicContact CD2-CG2 3.88Å; W482-V505 HydrophobicContact CE3-CG2 3.85Å; W482-V505 HydrophobicContact CG-CG1 4.46Å; W482-V505 HydrophobicContact CG-CG2 3.83Å
483	I	83.6	Confident	81.9	Confident	13 Å²	13	60 Å²	60	7%	0.067	33%	0.329	C	S	.	.	H	α-helix	trans	-66.5	-45.7	171.1	-66.3	170	0	0	0	109.8	R479 E480 D485 A486 E487 M502 D522	R479-I483 HydrophobicContact CG-CD1 3.79Å; R479-I483 HydrophobicContact CG-CG1 4.48Å; R479-I483 VanDerWaalsContact O-CG1 3.29Å; R479-I483 WeakPolarHBondContact O-CG1 3.31Å; R479-I483 PolarHBondContact O-N 3.42Å; E480-I483 PolarHBondContact O-N 3.13Å; I483-D485 VanDerWaalsContact C-N 3.31Å; I483-D485 PolarHBondContact O-N 3.02Å; I483-A486 CarbonylContact O-C 3.46Å; I483-A486 WeakPolarHBondContact O-CA 3.46Å; I483-A486 WeakPolarHBondContact O-CB 3.17Å; I483-A486 PolarHBondContact O-N 2.83Å; I483-E487 HydrophobicContact CG2-CG 4.41Å; I483-E487 WeakPolarHBondContact O-CG 3.2Å; I483-E487 PolarHBondContact O-N 2.99Å; I483-M502 HydrophobicContact CB-SD 4.43Å; I483-M502 HydrophobicContact CG1-CE 3.99Å; I483-M502 HydrophobicContact CG1-SD 4.04Å; I483-M502 HydrophobicContact CG2-CE 4.22Å; I483-M502 HydrophobicContact CG2-SD 4.48Å; I483-D522 HydrophobicContact CD1-CB 4.37Å
484	Q	86	Confident	81.8	Confident	115 Å²	115	57.3 Å²	57.3	54%	0.537	32%	0.316	S	S	.	.	H	α-helix	trans	-58.4	-42.6	174.9	-74.3	175.1	1.9	0	0	112.2	E480 Q481 A486 E487 E488	E480-Q484 WeakPolarHBondContact O-CG 3.45Å; E480-Q484 PolarHBondContact O-N 3.22Å; Q481-Q484 PolarHBondContact O-N 3.45Å; Q484-A486 VanDerWaalsContact C-N 3.27Å; Q484-A486 PolarHBondContact O-N 3.33Å; Q484-E487 WeakPolarHBondContact O-CB 3.49Å; Q484-E487 PolarHBondContact O-N 3.5Å; Q484-E487 VanDerWaalsContact O-N 3.16Å; Q484-E488 PolarHBondContact O-N 3.23Å
485	D	85.5	Confident	81.9	Confident	12 Å²	12	56.7 Å²	56.7	6%	0.064	30%	0.299	C	S	.	.	H	α-helix	trans	-63.1	-36.2	176.2	-67.8	-24.8	0	0	0	111.4	R440 H441 I444 Q481 I483 C489	R440-D485 WeakPolarHBondContact CD-OD2 3.39Å; R440-D485 IonicContact CZ-OD2 3.34Å; R440-D485 IonicContact NE-OD2 2.64Å; R440-D485 IonicContact NH1-OD1 3.81Å; R440-D485 IonicContact NH1-OD2 2.65Å; R440-D485 PolarHBondContact NH1-OD2 3.27Å; H441-D485 IonicContact CE1-OD1 3.39Å; H441-D485 PolarHBondContact CE1-OD1 3.3Å; H441-D485 IonicContact CE1-OD2 3.05Å; H441-D485 IonicContact ND1-OD1 3.58Å; I444-D485 HydrophobicContact CD1-CB 3.51Å; I444-D485 WeakPolarHBondContact CD1-OD2 3.19Å; Q481-D485 WeakPolarHBondContact O-CB 3.48Å; Q481-D485 PolarHBondContact O-N 3.09Å; I483-D485 VanDerWaalsContact C-N 3.31Å; I483-D485 PolarHBondContact O-N 3.02Å; D485-C489 WeakPolarHBondContact O-CB 3.47Å; D485-C489 PolarHBondContact O-N 3.41Å
486	A	84.5	Confident	82	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-68.7	-39.3	172.8	0	0	0	0	0	112.1	W482 I483 Q484 C489 D490 C498 I501 M502 C534	W482-A486 WeakPolarHBondContact O-CB 3.41Å; W482-A486 PolarHBondContact O-N 2.93Å; I483-A486 CarbonylContact O-C 3.46Å; I483-A486 WeakPolarHBondContact O-CA 3.46Å; I483-A486 WeakPolarHBondContact O-CB 3.17Å; I483-A486 PolarHBondContact O-N 2.83Å; Q484-A486 VanDerWaalsContact C-N 3.27Å; Q484-A486 PolarHBondContact O-N 3.33Å; A486-C489 VanDerWaalsContact O-CB 3.3Å; A486-C489 WeakPolarHBondContact O-CB 3.46Å; A486-C489 PolarHBondContact O-N 2.94Å; A486-D490 PolarHBondContact O-N 2.84Å; A486-C498 HydrophobicContact CB-CB 4.16Å; A486-C498 PolarHBondContact O-SG 2.88Å; A486-I501 HydrophobicContact CB-CB 4.5Å; A486-I501 HydrophobicContact CB-CG2 4.08Å; A486-M502 HydrophobicContact CB-CG 3.74Å; A486-M502 HydrophobicContact CB-SD 3.5Å; A486-M502 VanDerWaalsContact CB-SD 3.5Å; A486-C534 VanDerWaalsContact C-SG 3.58Å; A486-C534 PolarHBondContact O-SG 2.99Å
487	E	83.8	Confident	82.4	Confident	16 Å²	16	47.9 Å²	47.9	8%	0.075	26%	0.258	C	S	.	.	H	α-helix	trans	-64.3	-41.3	174.8	-66.7	-177	172.9	0	0	112.2	I483 Q484 C489 D490 K491 H529 A531	I483-E487 HydrophobicContact CG2-CG 4.41Å; I483-E487 WeakPolarHBondContact O-CG 3.2Å; I483-E487 PolarHBondContact O-N 2.99Å; Q484-E487 WeakPolarHBondContact O-CB 3.49Å; Q484-E487 PolarHBondContact O-N 3.5Å; Q484-E487 VanDerWaalsContact O-N 3.16Å; E487-C489 VanDerWaalsContact C-N 3.3Å; E487-D490 PolarHBondContact O-N 3.18Å; E487-K491 WeakPolarHBondContact O-CG 3.26Å; E487-K491 PolarHBondContact O-N 3.23Å; E487-K491 VanDerWaalsContact O-N 3.09Å; E487-H529 IonicContact OE1-CG 3.96Å; E487-H529 IonicContact OE1-ND1 3.01Å; E487-H529 PolarHBondContact OE1-ND1 3.31Å; E487-H529 WeakPolarHBondContact OE2-CB 3.31Å; E487-H529 IonicContact OE2-CG 3.94Å; E487-H529 IonicContact OE2-ND1 3.75Å; E487-A531 HydrophobicContact CB-CB 3.99Å; E487-A531 HydrophobicContact CG-CB 3.68Å
488	E	84.3	Confident	82.7	Confident	111 Å²	111	46.3 Å²	46.3	52%	0.519	25%	0.25	S	S	.	.	H	α-helix	trans	-65.6	-37.8	173.8	-171.7	-171.3	159.3	0	0	111.3	Q484 D490 K491 A492	Q484-E488 PolarHBondContact O-N 3.23Å; E488-D490 VanDerWaalsContact C-N 3.35Å; E488-K491 PolarHBondContact O-N 2.97Å; E488-A492 WeakPolarHBondContact O-CB 3.36Å; E488-A492 PolarHBondContact O-N 2.9Å
489	C	82.4	Confident	82.8	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.5	-42	173.8	163.1	0	0	0	0	112.3	D485 A486 E487 A492 G493 S494 T497 C498	D485-C489 WeakPolarHBondContact O-CB 3.47Å; D485-C489 PolarHBondContact O-N 3.41Å; A486-C489 VanDerWaalsContact O-CB 3.3Å; A486-C489 WeakPolarHBondContact O-CB 3.46Å; A486-C489 PolarHBondContact O-N 2.94Å; E487-C489 VanDerWaalsContact C-N 3.3Å; C489-A492 CarbonylContact O-C 3.54Å; C489-A492 WeakPolarHBondContact O-CB 3.44Å; C489-A492 PolarHBondContact O-N 3.25Å; C489-A492 VanDerWaalsContact O-N 3.15Å; C489-G493 PolarHBondContact O-N 2.61Å; C489-S494 PolarHBondContact O-N 3.29Å; C489-S494 PolarHBondContact SG-O 3.32Å; C489-T497 PolarHBondContact SG-OG1 3.31Å; C489-C498 HydrophobicContact CB-CB 4.06Å; C489-C498 WeakPolarHBondContact CB-SG 3.43Å; C489-C498 VanDerWaalsContact SG-CA 3.57Å; C489-C498 WeakPolarHBondContact SG-CB 3.25Å; C489-C498 PolarHBondContact SG-N 3.13Å; C489-C498 CovalentContact SG-SG 2.06Å; C489-C498 PolarHBondContact SG-SG 3.37Å
490	D	81.9	Confident	82.9	Confident	22 Å²	22	44.3 Å²	44.3	12%	0.118	24%	0.242	C	C	.	.	H	α-helix	trans	-67.5	-43.3	178.9	-164.9	12.6	0	0	0	110.4	A486 E487 E488 A492 G493 C498 A531 L532 E533	A486-D490 PolarHBondContact O-N 2.84Å; E487-D490 PolarHBondContact O-N 3.18Å; E488-D490 VanDerWaalsContact C-N 3.35Å; D490-A492 PolarHBondContact O-N 2.84Å; D490-G493 PolarHBondContact O-N 3.41Å; D490-C498 PolarHBondContact N-SG 2.87Å; D490-A531 HydrophobicContact CB-CB 4.27Å; D490-A531 WeakPolarHBondContact OD2-CA 3.32Å; D490-L532 PolarHBondContact OD2-N 2.95Å; D490-E533 WeakPolarHBondContact OD1-CB 3.47Å; D490-E533 WeakPolarHBondContact OD1-CG 3.46Å; D490-E533 PolarHBondContact OD2-N 3.35Å
491	K	83.3	Confident	83	Confident	140 Å²	140	37.1 Å²	37.1	61%	0.609	21%	0.209	S	C	*	.	H	α-helix	trans	-59.6	-29.7	172.5	-71.1	170.7	-175.4	164.7	0	113.1	E487 E488 G493	E487-K491 WeakPolarHBondContact O-CG 3.26Å; E487-K491 PolarHBondContact O-N 3.23Å; E487-K491 VanDerWaalsContact O-N 3.09Å; E488-K491 PolarHBondContact O-N 2.97Å; K491-G493 VanDerWaalsContact C-N 3.32Å
492	A	81.7	Confident	82.9	Confident	62 Å²	62	33.7 Å²	33.7	51%	0.512	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-3.6	175.8	0	0	0	0	0	113.8	K448 E488 C489 D490	K448-A492 VanDerWaalsContact NZ-CB 3.29Å; E488-A492 WeakPolarHBondContact O-CB 3.36Å; E488-A492 PolarHBondContact O-N 2.9Å; C489-A492 CarbonylContact O-C 3.54Å; C489-A492 WeakPolarHBondContact O-CB 3.44Å; C489-A492 PolarHBondContact O-N 3.25Å; C489-A492 VanDerWaalsContact O-N 3.15Å; D490-A492 PolarHBondContact O-N 2.84Å
493	G	80.6	Confident	82.6	Confident	54 Å²	54	38 Å²	38	56%	0.557	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.7	12.4	177.2	0	0	0	0	0	115.5	C489 D490 K491 V495	C489-G493 PolarHBondContact O-N 2.61Å; D490-G493 PolarHBondContact O-N 3.41Å; K491-G493 VanDerWaalsContact C-N 3.32Å; G493-V495 PolarHBondContact O-N 3.33Å
494	S	81.8	Confident	82.3	Confident	17 Å²	17	38.5 Å²	38.5	12%	0.119	22%	0.215	C	C	.	.			trans	-94.6	64	-179.9	-53.3	0	0	0	0	111.4	E451 C489 A496 T497 C498	E451-S494 VanDerWaalsContact CD-C 3.41Å; E451-S494 WeakPolarHBondContact OE1-CA 3.49Å; E451-S494 WeakPolarHBondContact OE2-CA 3.41Å; E451-S494 VanDerWaalsContact OE2-CB 3.3Å; E451-S494 WeakPolarHBondContact OE2-CB 3.4Å; C489-S494 PolarHBondContact O-N 3.29Å; C489-S494 PolarHBondContact SG-O 3.32Å; S494-A496 PolarHBondContact O-N 2.88Å; S494-T497 VanDerWaalsContact CB-OG1 3.31Å; S494-T497 WeakPolarHBondContact CB-OG1 3.29Å; S494-T497 PolarHBondContact O-N 3.03Å; S494-T497 PolarHBondContact O-OG1 3.01Å; S494-C498 PolarHBondContact O-N 3.4Å; S494-C498 PolarHBondContact O-SG 3.09Å
495	V	82.1	Confident	81.9	Confident	52 Å²	52	33.1 Å²	33.1	32%	0.315	19%	0.19	S	C	.	.	H	α-helix	trans	-62.3	-34.7	-166.6	-57.7	0	0	0	0	114.9	E451 G493 C498 Q499 E533	E451-V495 PolarHBondContact OE1-N 2.63Å; G493-V495 PolarHBondContact O-N 3.33Å; V495-C498 PolarHBondContact O-N 2.93Å; V495-Q499 VanDerWaalsContact O-CG 3.27Å; V495-Q499 WeakPolarHBondContact O-CG 3.42Å; V495-Q499 PolarHBondContact O-N 3.04Å; V495-E533 HydrophobicContact CB-CB 4.31Å; V495-E533 HydrophobicContact CB-CG 4.36Å; V495-E533 HydrophobicContact CG1-CB 4.14Å; V495-E533 HydrophobicContact CG1-CG 3.76Å
496	A	81.7	Confident	81.3	Confident	25 Å²	25	32.5 Å²	32.5	21%	0.207	19%	0.187	C	C	.	.	H	α-helix	trans	-72.8	-36	-175.9	0	0	0	0	0	111.8	E451 S494 Q499 A500	E451-A496 HydrophobicContact CG-CB 4.31Å; E451-A496 WeakPolarHBondContact OE1-CB 3.42Å; E451-A496 PolarHBondContact OE1-N 3.43Å; E451-A496 PolarHBondContact OE2-N 3.11Å; S494-A496 PolarHBondContact O-N 2.88Å; A496-Q499 PolarHBondContact O-N 3.39Å; A496-A500 PolarHBondContact O-N 3.45Å
497	T	81.1	Confident	80.6	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.7	-42.1	174.7	53.9	0	0	0	0	111.3	A447 E451 V459 C489 S494 Q499 A500 I501	A447-T497 HydrophobicContact CB-CG2 3.71Å; A447-T497 WeakPolarHBondContact O-CG2 3.49Å; E451-T497 HydrophobicContact CB-CG2 3.75Å; E451-T497 HydrophobicContact CG-CG2 4.48Å; E451-T497 VanDerWaalsContact OE2-CB 3.32Å; E451-T497 WeakPolarHBondContact OE2-CB 3.46Å; E451-T497 WeakPolarHBondContact OE2-CG2 3.49Å; E451-T497 PolarHBondContact OE2-N 3.4Å; E451-T497 PolarHBondContact OE2-OG1 3.13Å; V459-T497 HydrophobicContact CB-CG2 4.19Å; V459-T497 HydrophobicContact CG1-CG2 3.37Å; V459-T497 HydrophobicContact CG2-CG2 3.75Å; C489-T497 PolarHBondContact SG-OG1 3.31Å; S494-T497 VanDerWaalsContact CB-OG1 3.31Å; S494-T497 WeakPolarHBondContact CB-OG1 3.29Å; S494-T497 PolarHBondContact O-N 3.03Å; S494-T497 PolarHBondContact O-OG1 3.01Å; T497-Q499 VanDerWaalsContact C-N 3.35Å; T497-Q499 PolarHBondContact O-N 2.81Å; T497-A500 PolarHBondContact O-N 3.22Å; T497-I501 VanDerWaalsContact O-CG1 3.24Å; T497-I501 WeakPolarHBondContact O-CG1 3.46Å; T497-I501 PolarHBondContact O-N 2.86Å
498	C	82	Confident	80.1	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.2	-39.6	176.1	-26.4	0	0	0	0	111	A486 C489 D490 S494 V495 A500 I501 M502 C534	A486-C498 HydrophobicContact CB-CB 4.16Å; A486-C498 PolarHBondContact O-SG 2.88Å; C489-C498 HydrophobicContact CB-CB 4.06Å; C489-C498 WeakPolarHBondContact CB-SG 3.43Å; C489-C498 VanDerWaalsContact SG-CA 3.57Å; C489-C498 WeakPolarHBondContact SG-CB 3.25Å; C489-C498 PolarHBondContact SG-N 3.13Å; C489-C498 CovalentContact SG-SG 2.06Å; C489-C498 PolarHBondContact SG-SG 3.37Å; D490-C498 PolarHBondContact N-SG 2.87Å; S494-C498 PolarHBondContact O-N 3.4Å; S494-C498 PolarHBondContact O-SG 3.09Å; V495-C498 PolarHBondContact O-N 2.93Å; C498-A500 VanDerWaalsContact C-N 3.34Å; C498-A500 PolarHBondContact O-N 2.98Å; C498-I501 PolarHBondContact O-N 3.39Å; C498-M502 WeakPolarHBondContact O-CB 3.49Å; C498-M502 WeakPolarHBondContact O-CG 3.18Å; C498-M502 PolarHBondContact O-N 2.97Å; C498-C534 VanDerWaalsContact CB-SG 3.52Å
499	Q	81.2	Confident	79.1	Confident	54 Å²	54	34 Å²	34	25%	0.252	22%	0.224	S	C	.	.	H	α-helix	trans	-58.3	-44.4	174.4	-75.2	176.9	16.4	0	0	112.6	V495 A496 T497 R503 A537	V495-Q499 VanDerWaalsContact O-CG 3.27Å; V495-Q499 WeakPolarHBondContact O-CG 3.42Å; V495-Q499 PolarHBondContact O-N 3.04Å; A496-Q499 PolarHBondContact O-N 3.39Å; T497-Q499 VanDerWaalsContact C-N 3.35Å; T497-Q499 PolarHBondContact O-N 2.81Å; Q499-R503 VanDerWaalsContact O-CG 3.28Å; Q499-R503 WeakPolarHBondContact O-CG 3.38Å; Q499-R503 PolarHBondContact O-N 3.23Å; Q499-A537 HydrophobicContact CB-CB 4.05Å; Q499-A537 HydrophobicContact CG-CB 3.7Å
500	A	81.6	Confident	78.3	Confident	9 Å²	9	35.2 Å²	35.2	7%	0.074	23%	0.23	C	C	.	.	H	α-helix	trans	-68.9	-40.9	178.9	0	0	0	0	0	112.2	V459 E460 I463 A496 T497 C498 M502 R503 A504	V459-A500 HydrophobicContact CG1-CB 4.04Å; E460-A500 HydrophobicContact CB-CB 4.44Å; I463-A500 HydrophobicContact CD1-CB 3.41Å; I463-A500 VanDerWaalsContact CD1-CB 3.41Å; A496-A500 PolarHBondContact O-N 3.45Å; T497-A500 PolarHBondContact O-N 3.22Å; C498-A500 VanDerWaalsContact C-N 3.34Å; C498-A500 PolarHBondContact O-N 2.98Å; A500-M502 VanDerWaalsContact C-N 3.35Å; A500-M502 PolarHBondContact O-N 3.28Å; A500-R503 PolarHBondContact O-N 3.2Å; A500-A504 PolarHBondContact O-N 3.42Å; A500-A504 VanDerWaalsContact O-N 3.14Å
501	I	83.9	Confident	77.5	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-58.2	-50.5	173.8	-70.8	165.1	0	0	0	109.8	I444 I463 W482 A486 T497 C498 R503 A504 V505	I444-I501 HydrophobicContact CB-CD1 4.42Å; I444-I501 HydrophobicContact CD1-CD1 4.14Å; I444-I501 HydrophobicContact CG1-CD1 3.94Å; I444-I501 HydrophobicContact CG2-CD1 3.84Å; I463-I501 HydrophobicContact CD1-CG1 3.65Å; I463-I501 HydrophobicContact CG1-CG1 4.11Å; I463-I501 HydrophobicContact CG2-CG1 4.48Å; W482-I501 HydrophobicContact CE3-CG2 3.79Å; W482-I501 HydrophobicContact CZ3-CG2 4.46Å; A486-I501 HydrophobicContact CB-CB 4.5Å; A486-I501 HydrophobicContact CB-CG2 4.08Å; T497-I501 VanDerWaalsContact O-CG1 3.24Å; T497-I501 WeakPolarHBondContact O-CG1 3.46Å; T497-I501 PolarHBondContact O-N 2.86Å; C498-I501 PolarHBondContact O-N 3.39Å; I501-R503 PolarHBondContact O-N 2.97Å; I501-A504 PolarHBondContact O-N 2.83Å; I501-V505 HydrophobicContact CG2-CG2 4.09Å; I501-V505 WeakPolarHBondContact O-CB 3.47Å; I501-V505 WeakPolarHBondContact O-CG2 3.37Å; I501-V505 PolarHBondContact O-N 3.14Å
502	M	82.8	Confident	76.6	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.5	-46	-177.4	-70.2	-56.7	-76.7	0	0	111.4	I483 A486 C498 A500 A504 V505 I506 C534 A537 I538	I483-M502 HydrophobicContact CB-SD 4.43Å; I483-M502 HydrophobicContact CG1-CE 3.99Å; I483-M502 HydrophobicContact CG1-SD 4.04Å; I483-M502 HydrophobicContact CG2-CE 4.22Å; I483-M502 HydrophobicContact CG2-SD 4.48Å; A486-M502 HydrophobicContact CB-CG 3.74Å; A486-M502 HydrophobicContact CB-SD 3.5Å; A486-M502 VanDerWaalsContact CB-SD 3.5Å; C498-M502 WeakPolarHBondContact O-CB 3.49Å; C498-M502 WeakPolarHBondContact O-CG 3.18Å; C498-M502 PolarHBondContact O-N 2.97Å; A500-M502 VanDerWaalsContact C-N 3.35Å; A500-M502 PolarHBondContact O-N 3.28Å; M502-A504 VanDerWaalsContact C-N 3.28Å; M502-A504 PolarHBondContact O-N 2.78Å; M502-V505 PolarHBondContact O-N 2.7Å; M502-I506 HydrophobicContact CB-CD1 3.96Å; M502-I506 HydrophobicContact CE-CD1 4.18Å; M502-I506 HydrophobicContact CE-CG1 4.36Å; M502-I506 VanDerWaalsContact O-CB 3.28Å; M502-I506 WeakPolarHBondContact O-CB 3.4Å; M502-I506 WeakPolarHBondContact O-CD1 3.34Å; M502-I506 WeakPolarHBondContact O-CG1 3.29Å; M502-I506 PolarHBondContact O-N 2.91Å; M502-C534 HydrophobicContact CG-CB 4.35Å; M502-A537 HydrophobicContact CB-CB 4.21Å; M502-I538 HydrophobicContact CE-CD1 3.21Å; M502-I538 HydrophobicContact CE-CG1 3.45Å; M502-I538 VanDerWaalsContact CE-CG1 3.45Å
503	R	79.8	Confident	75.9	Confident	95 Å²	95	46.7 Å²	46.7	36%	0.358	27%	0.274	S	S	.	.	H	α-helix	trans	-55.5	-42.6	175.5	-75.1	175.3	-168.9	163.6	9.2	112.7	Q499 A500 I501 Y541	Q499-R503 VanDerWaalsContact O-CG 3.28Å; Q499-R503 WeakPolarHBondContact O-CG 3.38Å; Q499-R503 PolarHBondContact O-N 3.23Å; A500-R503 PolarHBondContact O-N 3.2Å; I501-R503 PolarHBondContact O-N 2.97Å; R503-Y541 HydrophobicContact CG-CD2 4.39Å
504	A	77.3	Confident	75.7	Confident	24 Å²	24	48.7 Å²	48.7	20%	0.198	27%	0.272	C	S	.	.	H	α-helix	trans	-74.9	-33.7	-177.1	0	0	0	0	0	113	I463 I467 A500 I501 M502 I508	I463-A504 HydrophobicContact CG2-CB 4.07Å; I467-A504 HydrophobicContact CD1-CB 3.39Å; A500-A504 PolarHBondContact O-N 3.42Å; A500-A504 VanDerWaalsContact O-N 3.14Å; I501-A504 PolarHBondContact O-N 2.83Å; M502-A504 VanDerWaalsContact C-N 3.28Å; M502-A504 PolarHBondContact O-N 2.78Å; A504-I508 WeakPolarHBondContact O-CD1 3.44Å; A504-I508 WeakPolarHBondContact O-CG1 3.24Å
505	V	77.4	Confident	75.4	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.012	28%	0.277	C	S	.	.	H	α-helix	trans	-86.4	-34.5	-173.7	172.9	0	0	0	0	112.3	R479 W482 I501 M502 G507 I508	R479-V505 HydrophobicContact CG-CG1 4.25Å; W482-V505 HydrophobicContact CB-CB 4.27Å; W482-V505 HydrophobicContact CB-CG1 3.73Å; W482-V505 HydrophobicContact CB-CG2 3.61Å; W482-V505 HydrophobicContact CD2-CG2 3.88Å; W482-V505 HydrophobicContact CE3-CG2 3.85Å; W482-V505 HydrophobicContact CG-CG1 4.46Å; W482-V505 HydrophobicContact CG-CG2 3.83Å; I501-V505 HydrophobicContact CG2-CG2 4.09Å; I501-V505 WeakPolarHBondContact O-CB 3.47Å; I501-V505 WeakPolarHBondContact O-CG2 3.37Å; I501-V505 PolarHBondContact O-N 3.14Å; M502-V505 PolarHBondContact O-N 2.7Å; V505-G507 VanDerWaalsContact C-N 3.27Å; V505-G507 PolarHBondContact O-N 3.36Å; V505-I508 PolarHBondContact O-N 3.31Å; V505-I508 VanDerWaalsContact O-N 3.16Å
506	I	73.1	Confident	75.2	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.6	-33.3	-173.4	-72.6	162.3	0	0	0	112.5	R479 M502 W519 I538 Y541	R479-I506 PolarHBondContact NH1-O 3.38Å; M502-I506 HydrophobicContact CB-CD1 3.96Å; M502-I506 HydrophobicContact CE-CD1 4.18Å; M502-I506 HydrophobicContact CE-CG1 4.36Å; M502-I506 VanDerWaalsContact O-CB 3.28Å; M502-I506 WeakPolarHBondContact O-CB 3.4Å; M502-I506 WeakPolarHBondContact O-CD1 3.34Å; M502-I506 WeakPolarHBondContact O-CG1 3.29Å; M502-I506 PolarHBondContact O-N 2.91Å; I506-W519 VanDerWaalsContact CG2-CD1 3.42Å; I506-W519 HydrophobicContact CG2-CD2 3.6Å; I506-W519 HydrophobicContact CG2-CE3 4.47Å; I506-W519 HydrophobicContact CG2-CG 3.65Å; I506-W519 HydrophobicContact CG2-CZ2 3.9Å; I506-W519 PolarHBondContact O-NE1 2.96Å; I506-I538 HydrophobicContact CD1-CB 4.01Å; I506-I538 HydrophobicContact CD1-CD1 4.34Å; I506-I538 HydrophobicContact CD1-CG1 3.71Å; I506-I538 HydrophobicContact CD1-CG2 4Å; I506-Y541 HydrophobicContact CB-CD1 4.24Å; I506-Y541 HydrophobicContact CB-CE1 4.3Å; I506-Y541 HydrophobicContact CG2-CD1 3.73Å; I506-Y541 HydrophobicContact CG2-CE1 3.85Å
507	G	69.3	Low	75.2	Confident	25 Å²	25	55.1 Å²	55.1	26%	0.258	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-13.5	179.9	0	0	0	0	0	115.3	V505	V505-G507 VanDerWaalsContact C-N 3.27Å; V505-G507 PolarHBondContact O-N 3.36Å
508	I	73.3	Confident	75.3	Confident	53 Å²	53	56.9 Å²	56.9	27%	0.272	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	128.6	-173.9	-59.8	173	0	0	0	109.6	I467 I477 A504 V505	I467-I508 HydrophobicContact CG2-CD1 4.28Å; I477-I508 HydrophobicContact CD1-CD1 3.99Å; A504-I508 WeakPolarHBondContact O-CD1 3.44Å; A504-I508 WeakPolarHBondContact O-CG1 3.24Å; V505-I508 PolarHBondContact O-N 3.31Å; V505-I508 VanDerWaalsContact O-N 3.16Å
509	G	62.5	Low	75.4	Confident	81 Å²	81	57 Å²	57	84%	0.835	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	9.6	169.5	0	0	0	0	0	116.8
510	I	66.5	Low	75.5	Confident	25 Å²	25	54.8 Å²	54.8	13%	0.128	29%	0.29	C	S	.	.			trans	-122	132.6	179.1	-48.7	162.8	0	0	0	112.2	R479 D514 R515 T518	R479-I510 VanDerWaalsContact CZ-CD1 3.45Å; I510-D514 HydrophobicContact CG2-CB 4.16Å; I510-R515 HydrophobicContact CB-CG 3.81Å; I510-R515 HydrophobicContact CG2-CB 4.34Å; I510-R515 HydrophobicContact CG2-CG 3.74Å; I510-R515 PolarHBondContact O-NE 2.85Å; I510-R515 PolarHBondContact O-NH2 3.31Å; I510-T518 WeakPolarHBondContact CD1-OG1 3.26Å
511	E	65.4	Low	75.7	Confident	148 Å²	148	59 Å²	59	69%	0.692	31%	0.308	S	S	*	.			trans	-61.9	145.5	169.7	-64.3	-174	175	0	0	111.7	E513 D514 R515	E511-E513 PolarHBondContact O-N 2.96Å; E511-D514 PolarHBondContact O-N 3.38Å; E511-R515 WeakPolarHBondContact O-CG 2.98Å; E511-R515 PolarHBondContact O-N 2.82Å
512	E	63	Low	75.6	Confident	140 Å²	140	60.8 Å²	60.8	65%	0.654	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.2	-167	-45.6	-144.5	122.8	0	0	114	R515	E512-R515 IonicContact OE1-CZ 4Å; E512-R515 IonicContact OE1-NH1 2.64Å; E512-R515 PolarHBondContact OE1-NH1 3.46Å; E512-R515 IonicContact OE1-NH2 3.88Å; E512-R515 PolarHBondContact OE1-NH2 3.38Å
513	E	66.6	Low	75.5	Confident	176 Å²	176	60.8 Å²	60.8	82%	0.822	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-40.1	-180	-59.6	-168	169.2	0	0	112.5	E511	E511-E513 PolarHBondContact O-N 2.96Å
514	D	76.9	Confident	75.7	Confident	97 Å²	97	59.6 Å²	59.6	52%	0.519	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-11.8	-175.8	-75.8	-17.6	0	0	0	114.2	I510 E511 K516 H517 T518	I510-D514 HydrophobicContact CG2-CB 4.16Å; E511-D514 PolarHBondContact O-N 3.38Å; D514-K516 PolarHBondContact O-N 3.41Å; D514-K516 VanDerWaalsContact O-N 3.1Å; D514-H517 PolarHBondContact O-N 3.12Å; D514-H517 VanDerWaalsContact O-N 3.1Å; D514-T518 PolarHBondContact O-N 3.27Å; D514-T518 VanDerWaalsContact O-N 3.15Å; D514-T518 PolarHBondContact O-OG1 3.04Å
515	R	76.6	Confident	76.1	Confident	58 Å²	58	60.9 Å²	60.9	22%	0.219	33%	0.326	C	S	.	.	H	α-helix	trans	-48.2	-40.2	175.8	-83	175.3	-164	165	4.9	112.7	I510 E511 E512 T518 W519 F546	I510-R515 HydrophobicContact CB-CG 3.81Å; I510-R515 HydrophobicContact CG2-CB 4.34Å; I510-R515 HydrophobicContact CG2-CG 3.74Å; I510-R515 PolarHBondContact O-NE 2.85Å; I510-R515 PolarHBondContact O-NH2 3.31Å; E511-R515 WeakPolarHBondContact O-CG 2.98Å; E511-R515 PolarHBondContact O-N 2.82Å; E512-R515 IonicContact OE1-CZ 4Å; E512-R515 IonicContact OE1-NH1 2.64Å; E512-R515 PolarHBondContact OE1-NH1 3.46Å; E512-R515 IonicContact OE1-NH2 3.88Å; E512-R515 PolarHBondContact OE1-NH2 3.38Å; R515-T518 WeakPolarHBondContact CA-OG1 3.34Å; R515-T518 PolarHBondContact O-OG1 2.94Å; R515-T518 VanDerWaalsContact O-OG1 3.13Å; R515-W519 HydrophobicContact CB-CD2 4.34Å; R515-W519 HydrophobicContact CB-CH2 4.11Å; R515-W519 HydrophobicContact CB-CZ2 3.76Å; R515-W519 HydrophobicContact CG-CH2 4.3Å; R515-W519 HydrophobicContact CG-CZ2 3.67Å; R515-W519 VanDerWaalsContact O-CB 3.29Å; R515-W519 WeakPolarHBondContact O-CB 3.32Å; R515-W519 PolarHBondContact O-N 3.5Å; R515-W519 VanDerWaalsContact O-N 3.11Å; R515-F546 HydrophobicContact CB-CE2 4.35Å; R515-F546 HydrophobicContact CB-CZ 4.28Å
516	K	77.1	Confident	76.2	Confident	60 Å²	60	60.8 Å²	60.8	26%	0.261	33%	0.325	S	S	.	.	H	α-helix	trans	-64.5	-52.9	-179.2	-174.4	-162.2	176.3	-165.6	0	110.9	D514 M520 F546 K549 S551 V552	D514-K516 PolarHBondContact O-N 3.41Å; D514-K516 VanDerWaalsContact O-N 3.1Å; K516-M520 VanDerWaalsContact O-CG 3.23Å; K516-M520 WeakPolarHBondContact O-CG 3.18Å; K516-M520 PolarHBondContact O-N 2.93Å; K516-F546 HydrophobicContact CB-CE2 4.33Å; K516-K549 HydrophobicContact CD-CD 3.81Å; K516-S551 WeakPolarHBondContact CE-OG 3.23Å; K516-S551 PolarHBondContact NZ-OG 3.39Å; K516-V552 HydrophobicContact CG-CG2 4.19Å
517	H	81.4	Confident	76.7	Confident	110 Å²	110	62 Å²	62	51%	0.509	33%	0.333	S	S	.	.	H	α-helix	trans	-64.5	-49.9	-172.8	-170.1	-95.3	0	0	0	110.9	D514 W519 M520 E521	D514-H517 PolarHBondContact O-N 3.12Å; D514-H517 VanDerWaalsContact O-N 3.1Å; H517-W519 PolarHBondContact O-N 3.3Å; H517-M520 PolarHBondContact O-N 3.26Å; H517-M520 VanDerWaalsContact O-N 3.1Å; H517-E521 IonicContact CE1-OE1 2.83Å; H517-E521 PolarHBondContact CE1-OE1 2.81Å; H517-E521 IonicContact CE1-OE2 3.95Å; H517-E521 PolarHBondContact CE1-OE2 3.2Å; H517-E521 VanDerWaalsContact CE1-OE2 3.3Å; H517-E521 IonicContact ND1-OE1 3.87Å; H517-E521 PolarHBondContact ND1-OE1 3.37Å; H517-E521 IonicContact ND1-OE2 2.77Å; H517-E521 PolarHBondContact ND1-OE2 2.94Å; H517-E521 IonicContact NE2-OE1 2.61Å; H517-E521 PolarHBondContact O-N 3.42Å
518	T	83.6	Confident	77.3	Confident	37 Å²	37	64.5 Å²	64.5	23%	0.227	35%	0.351	C	S	.	.	H	α-helix	trans	-56.8	-45.3	178.4	45.8	0	0	0	0	112.4	I510 D514 R515 M520 E521 D522	I510-T518 WeakPolarHBondContact CD1-OG1 3.26Å; D514-T518 PolarHBondContact O-N 3.27Å; D514-T518 VanDerWaalsContact O-N 3.15Å; D514-T518 PolarHBondContact O-OG1 3.04Å; R515-T518 WeakPolarHBondContact CA-OG1 3.34Å; R515-T518 PolarHBondContact O-OG1 2.94Å; R515-T518 VanDerWaalsContact O-OG1 3.13Å; T518-M520 VanDerWaalsContact C-N 3.31Å; T518-M520 PolarHBondContact O-N 3.34Å; T518-E521 PolarHBondContact O-N 2.74Å; T518-D522 WeakPolarHBondContact O-CB 3.48Å; T518-D522 VanDerWaalsContact O-CG 3.23Å; T518-D522 PolarHBondContact O-N 2.91Å
519	W	84.8	Confident	77.6	Confident	3 Å²	3	66.2 Å²	66.2	1%	0.011	36%	0.357	C	S	.	.	H	α-helix	trans	-66.9	-32.7	178.4	-61.1	-4.4	0	0	0	113.1	R479 I506 R515 H517 A523 I538 Y541 A542 V545 F546	R479-W519 VanDerWaalsContact NH2-CD1 3.26Å; I506-W519 VanDerWaalsContact CG2-CD1 3.42Å; I506-W519 HydrophobicContact CG2-CD2 3.6Å; I506-W519 HydrophobicContact CG2-CE3 4.47Å; I506-W519 HydrophobicContact CG2-CG 3.65Å; I506-W519 HydrophobicContact CG2-CZ2 3.9Å; I506-W519 PolarHBondContact O-NE1 2.96Å; R515-W519 HydrophobicContact CB-CD2 4.34Å; R515-W519 HydrophobicContact CB-CH2 4.11Å; R515-W519 HydrophobicContact CB-CZ2 3.76Å; R515-W519 HydrophobicContact CG-CH2 4.3Å; R515-W519 HydrophobicContact CG-CZ2 3.67Å; R515-W519 VanDerWaalsContact O-CB 3.29Å; R515-W519 WeakPolarHBondContact O-CB 3.32Å; R515-W519 PolarHBondContact O-N 3.5Å; R515-W519 VanDerWaalsContact O-N 3.11Å; H517-W519 PolarHBondContact O-N 3.3Å; W519-A523 VanDerWaalsContact O-CB 3.27Å; W519-A523 WeakPolarHBondContact O-CB 3.4Å; W519-A523 PolarHBondContact O-N 3.17Å; W519-I538 HydrophobicContact CB-CG2 4.29Å; W519-Y541 HydrophobicContact CH2-CD1 4.26Å; W519-Y541 AromaticContact CH2-CE1 3.67Å; W519-Y541 HydrophobicContact CH2-CE1 3.67Å; W519-Y541 AromaticContact CZ2-CE1 3.88Å; W519-Y541 HydrophobicContact CZ2-CE1 3.88Å; W519-Y541 HydrophobicContact CZ3-CD1 4.31Å; W519-Y541 HydrophobicContact CZ3-CE1 4.17Å; W519-A542 HydrophobicContact CE3-CB 3.78Å; W519-A542 HydrophobicContact CZ3-CB 4.4Å; W519-V545 HydrophobicContact CH2-CB 4.21Å; W519-V545 HydrophobicContact CH2-CG1 4.01Å; W519-V545 HydrophobicContact CH2-CG2 4.05Å; W519-V545 HydrophobicContact CZ3-CB 3.92Å; W519-V545 HydrophobicContact CZ3-CG1 4.01Å; W519-V545 HydrophobicContact CZ3-CG2 4.09Å; W519-F546 HydrophobicContact CE3-CD2 4.35Å; W519-F546 AromaticContact CE3-CE2 3.95Å; W519-F546 HydrophobicContact CE3-CE2 3.95Å; W519-F546 HydrophobicContact CH2-CE2 4.16Å; W519-F546 AromaticContact CZ3-CD2 3.95Å; W519-F546 HydrophobicContact CZ3-CD2 3.95Å; W519-F546 AromaticContact CZ3-CE2 3.47Å; W519-F546 HydrophobicContact CZ3-CE2 3.47Å; W519-F546 VanDerWaalsContact CZ3-CE2 3.47Å; W519-F546 HydrophobicContact CZ3-CZ 4.44Å
520	M	83.3	Confident	78.2	Confident	7 Å²	7	68.2 Å²	68.2	3%	0.034	35%	0.349	C	S	.	.	H	α-helix	trans	-71.8	-40	175.1	-57.8	-47.2	-68.6	0	0	111.5	K516 H517 T518 A523 D524 Y539 V552 R555	K516-M520 VanDerWaalsContact O-CG 3.23Å; K516-M520 WeakPolarHBondContact O-CG 3.18Å; K516-M520 PolarHBondContact O-N 2.93Å; H517-M520 PolarHBondContact O-N 3.26Å; H517-M520 VanDerWaalsContact O-N 3.1Å; T518-M520 VanDerWaalsContact C-N 3.31Å; T518-M520 PolarHBondContact O-N 3.34Å; M520-A523 PolarHBondContact O-N 3.31Å; M520-D524 WeakPolarHBondContact O-CB 3.31Å; M520-D524 PolarHBondContact O-N 2.94Å; M520-Y539 HydrophobicContact CE-CD1 4.31Å; M520-Y539 HydrophobicContact CE-CE1 3.57Å; M520-Y539 HydrophobicContact SD-CE1 4.33Å; M520-V552 HydrophobicContact CE-CG1 4.35Å; M520-V552 HydrophobicContact SD-CB 4.27Å; M520-V552 HydrophobicContact SD-CG1 3.87Å; M520-V552 HydrophobicContact SD-CG2 4.01Å; M520-R555 VanDerWaalsContact CB-NH1 3.33Å; M520-R555 HydrophobicContact CE-CB 3.36Å; M520-R555 VanDerWaalsContact CE-CD 3.44Å; M520-R555 HydrophobicContact CE-CG 3.72Å
521	E	84.4	Confident	78.8	Confident	97 Å²	97	67 Å²	67	45%	0.453	34%	0.343	S	S	.	.	H	α-helix	trans	-65.4	-43.4	175.9	-72.6	-177.7	136.7	0	0	111.9	H517 T518 A523 D524 S525	H517-E521 IonicContact CE1-OE1 2.83Å; H517-E521 PolarHBondContact CE1-OE1 2.81Å; H517-E521 IonicContact CE1-OE2 3.95Å; H517-E521 PolarHBondContact CE1-OE2 3.2Å; H517-E521 VanDerWaalsContact CE1-OE2 3.3Å; H517-E521 IonicContact ND1-OE1 3.87Å; H517-E521 PolarHBondContact ND1-OE1 3.37Å; H517-E521 IonicContact ND1-OE2 2.77Å; H517-E521 PolarHBondContact ND1-OE2 2.94Å; H517-E521 IonicContact NE2-OE1 2.61Å; H517-E521 PolarHBondContact O-N 3.42Å; T518-E521 PolarHBondContact O-N 2.74Å; E521-A523 VanDerWaalsContact C-N 3.32Å; E521-A523 PolarHBondContact O-N 2.99Å; E521-D524 PolarHBondContact O-N 3.48Å; E521-S525 VanDerWaalsContact O-CB 3.29Å; E521-S525 WeakPolarHBondContact O-CB 3.28Å; E521-S525 PolarHBondContact O-N 3.09Å
522	D	81.9	Confident	79.6	Confident	38 Å²	38	62.3 Å²	62.3	20%	0.203	32%	0.322	C	S	.	.	H	α-helix	trans	-65.1	-38.1	176.5	-69.9	-27.8	0	0	0	111.6	R479 I483 T518 S525 C526 I538	R479-D522 IonicContact CZ-OD2 2.7Å; R479-D522 IonicContact NE-OD2 3.76Å; R479-D522 PolarHBondContact NE-OD2 3.22Å; R479-D522 IonicContact NH2-OD2 3.27Å; R479-D522 PolarHBondContact NH2-OD2 3.15Å; I483-D522 HydrophobicContact CD1-CB 4.37Å; T518-D522 WeakPolarHBondContact O-CB 3.48Å; T518-D522 VanDerWaalsContact O-CG 3.23Å; T518-D522 PolarHBondContact O-N 2.91Å; D522-S525 PolarHBondContact O-N 2.98Å; D522-C526 WeakPolarHBondContact O-CB 3.33Å; D522-C526 PolarHBondContact O-N 3.37Å; D522-C526 PolarHBondContact O-SG 3.27Å; D522-I538 HydrophobicContact CB-CD1 4.35Å
523	A	82	Confident	80.3	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63.4	-47.5	172.4	0	0	0	0	0	111.1	W519 M520 E521 S525 C526 V527 I538 Y539	W519-A523 VanDerWaalsContact O-CB 3.27Å; W519-A523 WeakPolarHBondContact O-CB 3.4Å; W519-A523 PolarHBondContact O-N 3.17Å; M520-A523 PolarHBondContact O-N 3.31Å; E521-A523 VanDerWaalsContact C-N 3.32Å; E521-A523 PolarHBondContact O-N 2.99Å; A523-S525 VanDerWaalsContact C-N 3.27Å; A523-S525 PolarHBondContact O-N 3.01Å; A523-C526 PolarHBondContact O-N 3.04Å; A523-V527 WeakPolarHBondContact O-CG2 3.46Å; A523-V527 PolarHBondContact O-N 3.2Å; A523-I538 HydrophobicContact CB-CB 4.28Å; A523-I538 HydrophobicContact CB-CD1 4.25Å; A523-I538 HydrophobicContact CB-CG2 4.02Å; A523-Y539 HydrophobicContact CB-CD1 4.47Å; A523-Y539 HydrophobicContact CB-CE1 3.81Å; A523-Y539 HydrophobicContact CB-CE2 4Å
524	D	83.6	Confident	80.8	Confident	70 Å²	70	50 Å²	50	37%	0.374	27%	0.265	S	S	.	.	H	α-helix	trans	-62.8	-35.1	178.3	-68.7	-29.2	0	0	0	111.4	M520 E521 A528 Y539 R555	M520-D524 WeakPolarHBondContact O-CB 3.31Å; M520-D524 PolarHBondContact O-N 2.94Å; E521-D524 PolarHBondContact O-N 3.48Å; D524-A528 PolarHBondContact O-N 3.44Å; D524-Y539 PolarHBondContact OD1-OH 2.92Å; D524-R555 IonicContact OD2-CZ 3.31Å; D524-R555 IonicContact OD2-NH1 2.64Å; D524-R555 PolarHBondContact OD2-NH1 3.49Å
525	S	84.4	Confident	81	Confident	51 Å²	51	45.4 Å²	45.4	36%	0.357	24%	0.24	S	C	.	.	H	α-helix	trans	-66.6	-48.9	173.4	-172.1	0	0	0	0	112.2	E521 D522 A523 V527 A528 H529	E521-S525 VanDerWaalsContact O-CB 3.29Å; E521-S525 WeakPolarHBondContact O-CB 3.28Å; E521-S525 PolarHBondContact O-N 3.09Å; D522-S525 PolarHBondContact O-N 2.98Å; A523-S525 VanDerWaalsContact C-N 3.27Å; A523-S525 PolarHBondContact O-N 3.01Å; S525-V527 VanDerWaalsContact C-N 3.25Å; S525-V527 PolarHBondContact O-N 2.82Å; S525-A528 WeakPolarHBondContact O-CA 3.41Å; S525-A528 WeakPolarHBondContact O-CB 3.44Å; S525-A528 PolarHBondContact O-N 3.33Å; S525-H529 PolarHBondContact O-N 3.03Å; S525-H529 PolarHBondContact O-ND1 3.34Å; S525-H529 PolarHBondContact OG-CE1 3.08Å; S525-H529 VanDerWaalsContact OG-CE1 3.3Å
526	C	80.8	Confident	81.3	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59	-38.6	176	-69.6	0	0	0	0	111.7	D522 A523 H529 N530 A531 A535	D522-C526 WeakPolarHBondContact O-CB 3.33Å; D522-C526 PolarHBondContact O-N 3.37Å; D522-C526 PolarHBondContact O-SG 3.27Å; A523-C526 PolarHBondContact O-N 3.04Å; C526-H529 CarbonylContact O-C 3.59Å; C526-H529 PolarHBondContact O-N 3.44Å; C526-N530 PolarHBondContact O-N 3.5Å; C526-A531 PolarHBondContact O-N 3.38Å; C526-A535 HydrophobicContact CB-CB 4.38Å
527	V	82.5	Confident	81.4	Confident	27 Å²	27	42 Å²	42	16%	0.164	23%	0.226	C	C	.	.	H	α-helix	trans	-64	-42.5	174.8	174.6	0	0	0	0	110.8	A523 S525 H529 N530 A535 F559	A523-V527 WeakPolarHBondContact O-CG2 3.46Å; A523-V527 PolarHBondContact O-N 3.2Å; S525-V527 VanDerWaalsContact C-N 3.25Å; S525-V527 PolarHBondContact O-N 2.82Å; V527-H529 VanDerWaalsContact C-N 3.28Å; V527-H529 PolarHBondContact O-N 2.98Å; V527-N530 PolarHBondContact O-N 3.22Å; V527-N530 VanDerWaalsContact O-N 3.13Å; V527-A535 HydrophobicContact CG2-CB 3.59Å; V527-F559 HydrophobicContact CG1-CD2 4.29Å; V527-F559 HydrophobicContact CG1-CE2 4.39Å; V527-F559 HydrophobicContact CG2-CD2 3.39Å; V527-F559 HydrophobicContact CG2-CE2 3.42Å; V527-F559 VanDerWaalsContact CG2-CE2 3.42Å
528	A	82.8	Confident	81.5	Confident	77 Å²	77	36.8 Å²	36.8	64%	0.636	20%	0.202	S	C	*	.	H	α-helix	trans	-63.3	-33.5	175.4	0	0	0	0	0	112.6	D524 S525 N530	D524-A528 PolarHBondContact O-N 3.44Å; S525-A528 WeakPolarHBondContact O-CA 3.41Å; S525-A528 WeakPolarHBondContact O-CB 3.44Å; S525-A528 PolarHBondContact O-N 3.33Å; A528-N530 VanDerWaalsContact C-N 3.26Å; A528-N530 PolarHBondContact O-N 2.9Å
529	H	80.3	Confident	81.5	Confident	88 Å²	88	35.5 Å²	35.5	41%	0.407	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	4.8	175.3	-59.4	127.7	0	0	0	114.7	E487 S525 C526 V527	E487-H529 IonicContact OE1-CG 3.96Å; E487-H529 IonicContact OE1-ND1 3.01Å; E487-H529 PolarHBondContact OE1-ND1 3.31Å; E487-H529 WeakPolarHBondContact OE2-CB 3.31Å; E487-H529 IonicContact OE2-CG 3.94Å; E487-H529 IonicContact OE2-ND1 3.75Å; S525-H529 PolarHBondContact O-N 3.03Å; S525-H529 PolarHBondContact O-ND1 3.34Å; S525-H529 PolarHBondContact OG-CE1 3.08Å; S525-H529 VanDerWaalsContact OG-CE1 3.3Å; C526-H529 CarbonylContact O-C 3.59Å; C526-H529 PolarHBondContact O-N 3.44Å; V527-H529 VanDerWaalsContact C-N 3.28Å; V527-H529 PolarHBondContact O-N 2.98Å
530	N	75	Confident	81.4	Confident	124 Å²	124	37.2 Å²	37.2	66%	0.663	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.3	22.1	-178.7	-57.9	-50	0	0	0	115.7	C526 V527 A528 L532	C526-N530 PolarHBondContact O-N 3.5Å; V527-N530 PolarHBondContact O-N 3.22Å; V527-N530 VanDerWaalsContact O-N 3.13Å; A528-N530 VanDerWaalsContact C-N 3.26Å; A528-N530 PolarHBondContact O-N 2.9Å; N530-L532 PolarHBondContact O-N 3.44Å
531	A	78.4	Confident	81.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.217	C	C	.	.			trans	-92.8	82.5	172.8	0	0	0	0	0	110.5	E487 D490 C526 C534 A535	E487-A531 HydrophobicContact CB-CB 3.99Å; E487-A531 HydrophobicContact CG-CB 3.68Å; D490-A531 HydrophobicContact CB-CB 4.27Å; D490-A531 WeakPolarHBondContact OD2-CA 3.32Å; C526-A531 PolarHBondContact O-N 3.38Å; A531-C534 HydrophobicContact CB-CB 3.98Å; A531-A535 PolarHBondContact O-N 3.4Å
532	L	81.4	Confident	81.3	Confident	49 Å²	49	35 Å²	35	26%	0.257	20%	0.196	S	C	.	.	H	α-helix	trans	-74.1	-38.3	-170.7	-55.8	177.9	0	0	0	112.1	D490 N530 A535 R536 F559 H563	D490-L532 PolarHBondContact OD2-N 2.95Å; N530-L532 PolarHBondContact O-N 3.44Å; L532-A535 PolarHBondContact O-N 3.07Å; L532-R536 WeakPolarHBondContact O-CG 3.3Å; L532-R536 PolarHBondContact O-N 3.39Å; L532-F559 HydrophobicContact CB-CZ 4.25Å; L532-F559 HydrophobicContact CD2-CE2 4.02Å; L532-F559 HydrophobicContact CD2-CZ 4.42Å; L532-F559 VanDerWaalsContact O-CZ 3.31Å; L532-F559 WeakPolarHBondContact O-CZ 3.21Å; L532-H563 HydrophobicContact CD1-CB 4.11Å; L532-H563 HydrophobicContact CD2-CB 3.94Å; L532-H563 WeakPolarHBondContact CD2-ND1 3.45Å; L532-H563 HydrophobicContact CG-CB 4.49Å
533	E	77.6	Confident	81.3	Confident	58 Å²	58	33.9 Å²	33.9	27%	0.271	19%	0.19	S	C	.	.	H	α-helix	trans	-77.2	-33.1	-177.4	-58.1	-67.9	174.7	0	0	111.1	D490 V495 R536 A537	D490-E533 WeakPolarHBondContact OD1-CB 3.47Å; D490-E533 WeakPolarHBondContact OD1-CG 3.46Å; D490-E533 PolarHBondContact OD2-N 3.35Å; V495-E533 HydrophobicContact CB-CB 4.31Å; V495-E533 HydrophobicContact CB-CG 4.36Å; V495-E533 HydrophobicContact CG1-CB 4.14Å; V495-E533 HydrophobicContact CG1-CG 3.76Å; E533-R536 WeakPolarHBondContact O-CB 3.33Å; E533-R536 PolarHBondContact O-N 2.9Å; E533-R536 IonicContact OE1-CZ 3.57Å; E533-R536 IonicContact OE1-NH1 3.01Å; E533-R536 PolarHBondContact OE1-NH1 2.75Å; E533-R536 WeakPolarHBondContact OE2-CD 3.3Å; E533-R536 IonicContact OE2-CZ 3.38Å; E533-R536 IonicContact OE2-NH1 3.99Å; E533-R536 PolarHBondContact OE2-NH1 2.87Å; E533-A537 PolarHBondContact O-N 3.14Å
534	C	78.3	Confident	81.3	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57.7	-51.5	168.2	-71.7	0	0	0	0	110.3	A486 C498 M502 A531 R536 A537 I538	A486-C534 VanDerWaalsContact C-SG 3.58Å; A486-C534 PolarHBondContact O-SG 2.99Å; C498-C534 VanDerWaalsContact CB-SG 3.52Å; M502-C534 HydrophobicContact CG-CB 4.35Å; A531-C534 HydrophobicContact CB-CB 3.98Å; C534-R536 VanDerWaalsContact C-N 3.3Å; C534-R536 PolarHBondContact O-N 3Å; C534-A537 WeakPolarHBondContact O-CA 3.48Å; C534-A537 WeakPolarHBondContact O-CB 3.44Å; C534-A537 PolarHBondContact O-N 2.95Å; C534-I538 VanDerWaalsContact O-CG1 3.27Å; C534-I538 WeakPolarHBondContact O-CG1 3.41Å; C534-I538 PolarHBondContact O-N 3.09Å
535	A	81.4	Confident	81.2	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.2	-39.1	177.2	0	0	0	0	0	112.5	C526 V527 A531 L532 A537 I538 Y539 F559	C526-A535 HydrophobicContact CB-CB 4.38Å; V527-A535 HydrophobicContact CG2-CB 3.59Å; A531-A535 PolarHBondContact O-N 3.4Å; L532-A535 PolarHBondContact O-N 3.07Å; A535-A537 VanDerWaalsContact C-N 3.34Å; A535-A537 PolarHBondContact O-N 3.45Å; A535-I538 PolarHBondContact O-N 3.12Å; A535-Y539 HydrophobicContact CB-CE2 4.36Å; A535-Y539 WeakPolarHBondContact O-CD2 3.46Å; A535-Y539 PolarHBondContact O-N 3.46Å; A535-F559 HydrophobicContact CB-CE2 3.96Å; A535-F559 HydrophobicContact CB-CZ 3.98Å
536	R	82.1	Confident	80.9	Confident	43 Å²	43	39.3 Å²	39.3	16%	0.162	21%	0.211	C	C	.	.	H	α-helix	trans	-59.7	-42.5	171.7	-74	-174	-170.4	125.4	9.4	112.8	L532 E533 C534 I538 Y539 A540 F559 E560 H563	L532-R536 WeakPolarHBondContact O-CG 3.3Å; L532-R536 PolarHBondContact O-N 3.39Å; E533-R536 WeakPolarHBondContact O-CB 3.33Å; E533-R536 PolarHBondContact O-N 2.9Å; E533-R536 IonicContact OE1-CZ 3.57Å; E533-R536 IonicContact OE1-NH1 3.01Å; E533-R536 PolarHBondContact OE1-NH1 2.75Å; E533-R536 WeakPolarHBondContact OE2-CD 3.3Å; E533-R536 IonicContact OE2-CZ 3.38Å; E533-R536 IonicContact OE2-NH1 3.99Å; E533-R536 PolarHBondContact OE2-NH1 2.87Å; C534-R536 VanDerWaalsContact C-N 3.3Å; C534-R536 PolarHBondContact O-N 3Å; R536-I538 VanDerWaalsContact C-N 3.34Å; R536-Y539 PolarHBondContact O-N 3.3Å; R536-A540 VanDerWaalsContact O-CB 3.31Å; R536-A540 WeakPolarHBondContact O-CB 3.42Å; R536-A540 PolarHBondContact O-N 3.06Å; R536-F559 HydrophobicContact CG-CD1 4.48Å; R536-F559 HydrophobicContact CG-CE1 3.45Å; R536-F559 VanDerWaalsContact CG-CE1 3.45Å; R536-F559 HydrophobicContact CG-CZ 4.05Å; R536-E560 VanDerWaalsContact CD-OE1 3.23Å; R536-E560 WeakPolarHBondContact CD-OE1 3.39Å; R536-E560 VanDerWaalsContact CG-OE1 3.29Å; R536-E560 WeakPolarHBondContact CG-OE1 3.35Å; R536-E560 IonicContact CZ-OE1 3.5Å; R536-E560 IonicContact NE-OE1 3.76Å; R536-E560 PolarHBondContact NE-OE1 3.19Å; R536-E560 IonicContact NE-OE2 3.67Å; R536-H563 PolarHBondContact NH2-O 3.35Å
537	A	80.4	Confident	80.7	Confident	3 Å²	3	41.7 Å²	41.7	3%	0.025	23%	0.226	C	C	.	.	H	α-helix	trans	-61	-44.6	175.9	0	0	0	0	0	111.3	Q499 M502 E533 C534 A535 A540 Y541	Q499-A537 HydrophobicContact CB-CB 4.05Å; Q499-A537 HydrophobicContact CG-CB 3.7Å; M502-A537 HydrophobicContact CB-CB 4.21Å; E533-A537 PolarHBondContact O-N 3.14Å; C534-A537 WeakPolarHBondContact O-CA 3.48Å; C534-A537 WeakPolarHBondContact O-CB 3.44Å; C534-A537 PolarHBondContact O-N 2.95Å; A535-A537 VanDerWaalsContact C-N 3.34Å; A535-A537 PolarHBondContact O-N 3.45Å; A537-A540 PolarHBondContact O-N 2.96Å; A537-Y541 WeakPolarHBondContact O-CB 3.44Å; A537-Y541 PolarHBondContact O-N 3.28Å
538	I	82.6	Confident	80.2	Confident	1 Å²	1	45 Å²	45	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-59.8	-51.3	176.1	-50.2	-163.8	0	0	0	109.7	M502 I506 W519 D522 A523 C534 A535 R536 A540 Y541 A542	M502-I538 HydrophobicContact CE-CD1 3.21Å; M502-I538 HydrophobicContact CE-CG1 3.45Å; M502-I538 VanDerWaalsContact CE-CG1 3.45Å; I506-I538 HydrophobicContact CD1-CB 4.01Å; I506-I538 HydrophobicContact CD1-CD1 4.34Å; I506-I538 HydrophobicContact CD1-CG1 3.71Å; I506-I538 HydrophobicContact CD1-CG2 4Å; W519-I538 HydrophobicContact CB-CG2 4.29Å; D522-I538 HydrophobicContact CB-CD1 4.35Å; A523-I538 HydrophobicContact CB-CB 4.28Å; A523-I538 HydrophobicContact CB-CD1 4.25Å; A523-I538 HydrophobicContact CB-CG2 4.02Å; C534-I538 VanDerWaalsContact O-CG1 3.27Å; C534-I538 WeakPolarHBondContact O-CG1 3.41Å; C534-I538 PolarHBondContact O-N 3.09Å; A535-I538 PolarHBondContact O-N 3.12Å; R536-I538 VanDerWaalsContact C-N 3.34Å; I538-A540 PolarHBondContact O-N 3.21Å; I538-Y541 PolarHBondContact O-N 2.87Å; I538-A542 VanDerWaalsContact O-CB 3.25Å; I538-A542 WeakPolarHBondContact O-CB 3.45Å; I538-A542 PolarHBondContact O-N 2.78Å
539	Y	83.4	Confident	79.9	Confident	9 Å²	9	45 Å²	45	4%	0.035	24%	0.236	C	C	.	.	H	α-helix	trans	-62.2	-43.8	-179	-73.9	-52	0	0	0	111.7	M520 A523 D524 A535 R536 Y541 A542 L543 R555 A556 F559	M520-Y539 HydrophobicContact CE-CD1 4.31Å; M520-Y539 HydrophobicContact CE-CE1 3.57Å; M520-Y539 HydrophobicContact SD-CE1 4.33Å; A523-Y539 HydrophobicContact CB-CD1 4.47Å; A523-Y539 HydrophobicContact CB-CE1 3.81Å; A523-Y539 HydrophobicContact CB-CE2 4Å; D524-Y539 PolarHBondContact OD1-OH 2.92Å; A535-Y539 HydrophobicContact CB-CE2 4.36Å; A535-Y539 WeakPolarHBondContact O-CD2 3.46Å; A535-Y539 PolarHBondContact O-N 3.46Å; R536-Y539 PolarHBondContact O-N 3.3Å; Y539-Y541 VanDerWaalsContact C-N 3.34Å; Y539-Y541 PolarHBondContact O-N 3.37Å; Y539-A542 PolarHBondContact O-N 3.12Å; Y539-L543 VanDerWaalsContact O-CB 3.24Å; Y539-L543 WeakPolarHBondContact O-CB 3.49Å; Y539-L543 VanDerWaalsContact O-CD1 3.32Å; Y539-L543 WeakPolarHBondContact O-CD1 3.35Å; Y539-L543 WeakPolarHBondContact O-CG 3.48Å; Y539-L543 PolarHBondContact O-N 3.16Å; Y539-R555 HydrophobicContact CE1-CB 4.38Å; Y539-A556 HydrophobicContact CD1-CB 3.91Å; Y539-A556 HydrophobicContact CD2-CB 4.5Å; Y539-A556 HydrophobicContact CG-CB 3.91Å; Y539-F559 HydrophobicContact CD2-CB 4.3Å; Y539-F559 AromaticContact CD2-CD1 3.78Å; Y539-F559 HydrophobicContact CD2-CD1 3.78Å; Y539-F559 HydrophobicContact CD2-CE1 4.42Å; Y539-F559 HydrophobicContact CD2-CG 4Å; Y539-F559 HydrophobicContact CE2-CB 3.66Å; Y539-F559 AromaticContact CE2-CD1 3.83Å; Y539-F559 HydrophobicContact CE2-CD1 3.83Å; Y539-F559 HydrophobicContact CE2-CD2 4.09Å; Y539-F559 AromaticContact CE2-CG 3.53Å; Y539-F559 HydrophobicContact CE2-CG 3.53Å
540	A	83.3	Confident	79.9	Confident	40 Å²	40	48.5 Å²	48.5	33%	0.331	25%	0.25	S	S	.	.	H	α-helix	trans	-60.1	-43.5	177	0	0	0	0	0	112	R536 A537 I538 Q544	R536-A540 VanDerWaalsContact O-CB 3.31Å; R536-A540 WeakPolarHBondContact O-CB 3.42Å; R536-A540 PolarHBondContact O-N 3.06Å; A537-A540 PolarHBondContact O-N 2.96Å; I538-A540 PolarHBondContact O-N 3.21Å; A540-Q544 WeakPolarHBondContact O-CG 3.32Å; A540-Q544 PolarHBondContact O-N 3.38Å; A540-Q544 VanDerWaalsContact O-N 3.14Å
541	Y	82.3	Confident	80.2	Confident	57 Å²	57	44.4 Å²	44.4	22%	0.224	23%	0.231	C	C	.	.	H	α-helix	trans	-67.5	-47.9	177	-177.7	-104.6	0	0	0	111.9	R503 I506 W519 A537 I538 Y539 L543 Q544 V545	R503-Y541 HydrophobicContact CG-CD2 4.39Å; I506-Y541 HydrophobicContact CB-CD1 4.24Å; I506-Y541 HydrophobicContact CB-CE1 4.3Å; I506-Y541 HydrophobicContact CG2-CD1 3.73Å; I506-Y541 HydrophobicContact CG2-CE1 3.85Å; W519-Y541 HydrophobicContact CH2-CD1 4.26Å; W519-Y541 AromaticContact CH2-CE1 3.67Å; W519-Y541 HydrophobicContact CH2-CE1 3.67Å; W519-Y541 AromaticContact CZ2-CE1 3.88Å; W519-Y541 HydrophobicContact CZ2-CE1 3.88Å; W519-Y541 HydrophobicContact CZ3-CD1 4.31Å; W519-Y541 HydrophobicContact CZ3-CE1 4.17Å; A537-Y541 WeakPolarHBondContact O-CB 3.44Å; A537-Y541 PolarHBondContact O-N 3.28Å; I538-Y541 PolarHBondContact O-N 2.87Å; Y539-Y541 VanDerWaalsContact C-N 3.34Å; Y539-Y541 PolarHBondContact O-N 3.37Å; Y541-L543 PolarHBondContact O-N 3.1Å; Y541-Q544 PolarHBondContact O-N 3.06Å; Y541-Q544 VanDerWaalsContact O-N 3.15Å; Y541-V545 HydrophobicContact CE1-CG2 4.15Å; Y541-V545 HydrophobicContact CE2-CG2 4.36Å; Y541-V545 WeakPolarHBondContact O-CG2 3.37Å; Y541-V545 PolarHBondContact O-N 3.26Å; Y541-V545 VanDerWaalsContact O-N 3.12Å
542	A	82.4	Confident	80.5	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.008	23%	0.232	C	C	.	.	H	α-helix	trans	-59.2	-35.4	178.2	0	0	0	0	0	112.4	W519 I538 Y539 F546 V552	W519-A542 HydrophobicContact CE3-CB 3.78Å; W519-A542 HydrophobicContact CZ3-CB 4.4Å; I538-A542 VanDerWaalsContact O-CB 3.25Å; I538-A542 WeakPolarHBondContact O-CB 3.45Å; I538-A542 PolarHBondContact O-N 2.78Å; Y539-A542 PolarHBondContact O-N 3.12Å; A542-F546 PolarHBondContact O-N 3.31Å; A542-V552 HydrophobicContact CB-CG1 4.28Å
543	L	81.7	Confident	80.6	Confident	13 Å²	13	42.5 Å²	42.5	7%	0.068	22%	0.221	C	C	.	.	H	α-helix	trans	-75.1	-32.4	178.1	-70.6	169.5	0	0	0	113.3	Y539 Y541 F546 V552 W553 A556 L572	Y539-L543 VanDerWaalsContact O-CB 3.24Å; Y539-L543 WeakPolarHBondContact O-CB 3.49Å; Y539-L543 VanDerWaalsContact O-CD1 3.32Å; Y539-L543 WeakPolarHBondContact O-CD1 3.35Å; Y539-L543 WeakPolarHBondContact O-CG 3.48Å; Y539-L543 PolarHBondContact O-N 3.16Å; Y541-L543 PolarHBondContact O-N 3.1Å; L543-F546 CarbonylContact O-C 3.58Å; L543-V552 HydrophobicContact CD2-CB 4.23Å; L543-V552 HydrophobicContact CD2-CG1 3.64Å; L543-V552 HydrophobicContact CG-CG1 4.13Å; L543-W553 HydrophobicContact CB-CH2 4.45Å; L543-W553 HydrophobicContact CB-CZ2 4.48Å; L543-W553 HydrophobicContact CD1-CE3 4Å; L543-W553 HydrophobicContact CD1-CH2 4.37Å; L543-W553 HydrophobicContact CD1-CZ3 3.92Å; L543-W553 HydrophobicContact CD2-CB 4.47Å; L543-W553 HydrophobicContact CD2-CD2 3.36Å; L543-W553 HydrophobicContact CD2-CE3 3.66Å; L543-W553 HydrophobicContact CD2-CG 3.74Å; L543-W553 HydrophobicContact CD2-CH2 4.2Å; L543-W553 HydrophobicContact CD2-CZ2 3.95Å; L543-W553 HydrophobicContact CD2-CZ3 4.08Å; L543-W553 HydrophobicContact CG-CE3 4.44Å; L543-W553 HydrophobicContact CG-CZ3 4.5Å; L543-A556 HydrophobicContact CD1-CB 4.09Å; L543-L572 HydrophobicContact CD1-CD1 3.53Å
544	Q	82.2	Confident	80.9	Confident	143 Å²	143	42 Å²	42	67%	0.668	22%	0.22	S	C	*	.	H	α-helix	trans	-65.2	-40.8	171.7	-75.8	176.3	-10.1	0	0	111.3	A540 Y541	A540-Q544 WeakPolarHBondContact O-CG 3.32Å; A540-Q544 PolarHBondContact O-N 3.38Å; A540-Q544 VanDerWaalsContact O-N 3.14Å; Y541-Q544 PolarHBondContact O-N 3.06Å; Y541-Q544 VanDerWaalsContact O-N 3.15Å
545	V	81.9	Confident	81.1	Confident	59 Å²	59	46.8 Å²	46.8	36%	0.358	24%	0.238	S	C	.	.	H	α-helix	trans	-75.8	-38.6	-179.7	179	0	0	0	0	111.9	W519 Y541 P547	W519-V545 HydrophobicContact CH2-CB 4.21Å; W519-V545 HydrophobicContact CH2-CG1 4.01Å; W519-V545 HydrophobicContact CH2-CG2 4.05Å; W519-V545 HydrophobicContact CZ3-CB 3.92Å; W519-V545 HydrophobicContact CZ3-CG1 4.01Å; W519-V545 HydrophobicContact CZ3-CG2 4.09Å; Y541-V545 HydrophobicContact CE1-CG2 4.15Å; Y541-V545 HydrophobicContact CE2-CG2 4.36Å; Y541-V545 WeakPolarHBondContact O-CG2 3.37Å; Y541-V545 PolarHBondContact O-N 3.26Å; Y541-V545 VanDerWaalsContact O-N 3.12Å; V545-P547 VanDerWaalsContact C-CD 3.48Å; V545-P547 WeakPolarHBondContact O-CD 3.45Å
546	F	77.8	Confident	81.2	Confident	34 Å²	34	46.9 Å²	46.9	15%	0.149	24%	0.239	C	C	.	.			trans	-122.5	72.7	-178.4	-56.7	-65.2	0	0	0	114.1	R515 K516 W519 A542 L543 S548	R515-F546 HydrophobicContact CB-CE2 4.35Å; R515-F546 HydrophobicContact CB-CZ 4.28Å; K516-F546 HydrophobicContact CB-CE2 4.33Å; W519-F546 HydrophobicContact CE3-CD2 4.35Å; W519-F546 AromaticContact CE3-CE2 3.95Å; W519-F546 HydrophobicContact CE3-CE2 3.95Å; W519-F546 HydrophobicContact CH2-CE2 4.16Å; W519-F546 AromaticContact CZ3-CD2 3.95Å; W519-F546 HydrophobicContact CZ3-CD2 3.95Å; W519-F546 AromaticContact CZ3-CE2 3.47Å; W519-F546 HydrophobicContact CZ3-CE2 3.47Å; W519-F546 VanDerWaalsContact CZ3-CE2 3.47Å; W519-F546 HydrophobicContact CZ3-CZ 4.44Å; A542-F546 PolarHBondContact O-N 3.31Å; L543-F546 CarbonylContact O-C 3.58Å; F546-S548 PolarHBondContact O-N 3.5Å
547	P	76.6	Confident	81.1	Confident	50 Å²	50	44.9 Å²	44.9	33%	0.325	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-22.6	-179.5	-22.4	33.6	0	0	0	114.6	V545 W553 H579 C580	V545-P547 VanDerWaalsContact C-CD 3.48Å; V545-P547 WeakPolarHBondContact O-CD 3.45Å; P547-W553 PolarHBondContact O-NE1 3.41Å; P547-H579 HydrophobicContact CB-CB 4.3Å; P547-C580 PolarHBondContact O-SG 2.81Å
548	S	72.8	Confident	81.2	Confident	95 Å²	95	50 Å²	50	66%	0.664	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-11.7	-166.4	60.6	0	0	0	0	115.9	F546	F546-S548 PolarHBondContact O-N 3.5Å
549	K	77.3	Confident	81.2	Confident	78 Å²	78	50.3 Å²	50.3	34%	0.339	25%	0.252	S	S	.	.			trans	-99.6	115.7	-168.8	-67.3	179.4	-176.4	169.9	0	112.4	K516 S551 V552	K516-K549 HydrophobicContact CD-CD 3.81Å; K549-S551 VanDerWaalsContact C-N 3.28Å; K549-S551 PolarHBondContact O-N 3.45Å; K549-S551 VanDerWaalsContact O-N 3.15Å; K549-V552 HydrophobicContact CB-CG2 4.37Å; K549-V552 PolarHBondContact O-N 3.47Å
550	K	79.9	Confident	81.1	Confident	162 Å²	162	50.7 Å²	50.7	70%	0.704	25%	0.254	S	S	*	.	H	α-helix	trans	-54.4	-35	179.8	73.9	178.4	-177	179.9	0	115.3	V552 L554 A583	K550-V552 VanDerWaalsContact C-N 3.35Å; K550-V552 PolarHBondContact O-N 2.85Å; K550-L554 VanDerWaalsContact O-CB 3.32Å; K550-L554 WeakPolarHBondContact O-CB 3.38Å; K550-L554 PolarHBondContact O-N 2.91Å; K550-A583 HydrophobicContact CB-CB 4.37Å
551	S	81.6	Confident	81	Confident	38 Å²	38	53 Å²	53	27%	0.266	26%	0.257	S	S	.	.	H	α-helix	trans	-69.4	-32.9	-172.3	65.5	0	0	0	0	112.8	K516 K549 R555	K516-S551 WeakPolarHBondContact CE-OG 3.23Å; K516-S551 PolarHBondContact NZ-OG 3.39Å; K549-S551 VanDerWaalsContact C-N 3.28Å; K549-S551 PolarHBondContact O-N 3.45Å; K549-S551 VanDerWaalsContact O-N 3.15Å; S551-R555 WeakPolarHBondContact O-CG 3.5Å; S551-R555 PolarHBondContact O-N 3.48Å; S551-R555 VanDerWaalsContact O-N 3.11Å
552	V	83.6	Confident	80.9	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.006	28%	0.275	C	S	.	.	H	α-helix	trans	-72.3	-48.9	-179	-177.5	0	0	0	0	109.3	K516 M520 A542 L543 K549 K550 L554 R555 A556	K516-V552 HydrophobicContact CG-CG2 4.19Å; M520-V552 HydrophobicContact CE-CG1 4.35Å; M520-V552 HydrophobicContact SD-CB 4.27Å; M520-V552 HydrophobicContact SD-CG1 3.87Å; M520-V552 HydrophobicContact SD-CG2 4.01Å; A542-V552 HydrophobicContact CB-CG1 4.28Å; L543-V552 HydrophobicContact CD2-CB 4.23Å; L543-V552 HydrophobicContact CD2-CG1 3.64Å; L543-V552 HydrophobicContact CG-CG1 4.13Å; K549-V552 HydrophobicContact CB-CG2 4.37Å; K549-V552 PolarHBondContact O-N 3.47Å; K550-V552 VanDerWaalsContact C-N 3.35Å; K550-V552 PolarHBondContact O-N 2.85Å; V552-L554 VanDerWaalsContact C-N 3.27Å; V552-L554 PolarHBondContact O-N 2.99Å; V552-R555 PolarHBondContact O-N 2.92Å; V552-A556 WeakPolarHBondContact O-CB 3.49Å; V552-A556 PolarHBondContact O-N 3.43Å
553	W	84.4	Confident	80.5	Confident	8 Å²	8	59 Å²	59	3%	0.03	29%	0.29	C	S	.	.	H	α-helix	trans	-56.4	-40.9	172.6	-71	105.7	0	0	0	112.6	L543 P547 A557 L572 R575 A576 H579 L586	L543-W553 HydrophobicContact CB-CH2 4.45Å; L543-W553 HydrophobicContact CB-CZ2 4.48Å; L543-W553 HydrophobicContact CD1-CE3 4Å; L543-W553 HydrophobicContact CD1-CH2 4.37Å; L543-W553 HydrophobicContact CD1-CZ3 3.92Å; L543-W553 HydrophobicContact CD2-CB 4.47Å; L543-W553 HydrophobicContact CD2-CD2 3.36Å; L543-W553 HydrophobicContact CD2-CE3 3.66Å; L543-W553 HydrophobicContact CD2-CG 3.74Å; L543-W553 HydrophobicContact CD2-CH2 4.2Å; L543-W553 HydrophobicContact CD2-CZ2 3.95Å; L543-W553 HydrophobicContact CD2-CZ3 4.08Å; L543-W553 HydrophobicContact CG-CE3 4.44Å; L543-W553 HydrophobicContact CG-CZ3 4.5Å; P547-W553 PolarHBondContact O-NE1 3.41Å; W553-A557 VanDerWaalsContact O-CB 3.23Å; W553-A557 WeakPolarHBondContact O-CB 3.36Å; W553-A557 PolarHBondContact O-N 2.87Å; W553-L572 HydrophobicContact CE3-CD1 4.1Å; W553-L572 HydrophobicContact CE3-CG 4.49Å; W553-L572 HydrophobicContact CZ3-CD1 3.74Å; W553-L572 HydrophobicContact CZ3-CG 4.38Å; W553-R575 HydrophobicContact CH2-CB 3.87Å; W553-R575 HydrophobicContact CZ3-CB 4.07Å; W553-A576 HydrophobicContact CD2-CB 3.78Å; W553-A576 HydrophobicContact CE3-CB 3.27Å; W553-A576 HydrophobicContact CG-CB 4.4Å; W553-A576 HydrophobicContact CH2-CB 4.41Å; W553-A576 VanDerWaalsContact CZ3-CA 3.48Å; W553-A576 HydrophobicContact CZ3-CB 3.62Å; W553-H579 HydrophobicContact CZ2-CB 4Å; W553-L586 HydrophobicContact CB-CD1 3.51Å; W553-L586 HydrophobicContact CB-CD2 4.13Å; W553-L586 HydrophobicContact CB-CG 4.48Å; W553-L586 HydrophobicContact CG-CD1 4.18Å
554	L	83.4	Confident	79.8	Confident	48 Å²	48	59.7 Å²	59.7	25%	0.251	30%	0.3	S	S	.	.	H	α-helix	trans	-65.4	-45.8	179.7	-169	78.2	0	0	0	112	K550 V552 A557 Y558 V585 L586 M589	K550-L554 VanDerWaalsContact O-CB 3.32Å; K550-L554 WeakPolarHBondContact O-CB 3.38Å; K550-L554 PolarHBondContact O-N 2.91Å; V552-L554 VanDerWaalsContact C-N 3.27Å; V552-L554 PolarHBondContact O-N 2.99Å; L554-A557 PolarHBondContact O-N 3.24Å; L554-Y558 HydrophobicContact CD1-CD2 4.46Å; L554-Y558 HydrophobicContact CD1-CE2 3.86Å; L554-Y558 HydrophobicContact CD2-CD2 4.37Å; L554-Y558 HydrophobicContact CD2-CE2 3.7Å; L554-Y558 HydrophobicContact CG-CD2 3.82Å; L554-Y558 HydrophobicContact CG-CE2 3.45Å; L554-Y558 VanDerWaalsContact CG-CE2 3.45Å; L554-Y558 WeakPolarHBondContact O-CD2 3.47Å; L554-Y558 PolarHBondContact O-N 3.46Å; L554-V585 HydrophobicContact CD1-CB 4.12Å; L554-V585 HydrophobicContact CD1-CG1 3.5Å; L554-L586 HydrophobicContact CD1-CD2 4.35Å; L554-M589 HydrophobicContact CD1-CE 4.43Å
555	R	82.6	Confident	79	Confident	100 Å²	100	56.9 Å²	56.9	38%	0.377	29%	0.293	S	S	.	.	H	α-helix	trans	-66.2	-42.2	177.1	-68.3	-155.7	-158	173.4	1.4	111.6	M520 D524 Y539 S551 V552 A557 Y558 F559	M520-R555 VanDerWaalsContact CB-NH1 3.33Å; M520-R555 HydrophobicContact CE-CB 3.36Å; M520-R555 VanDerWaalsContact CE-CD 3.44Å; M520-R555 HydrophobicContact CE-CG 3.72Å; D524-R555 IonicContact OD2-CZ 3.31Å; D524-R555 IonicContact OD2-NH1 2.64Å; D524-R555 PolarHBondContact OD2-NH1 3.49Å; Y539-R555 HydrophobicContact CE1-CB 4.38Å; S551-R555 WeakPolarHBondContact O-CG 3.5Å; S551-R555 PolarHBondContact O-N 3.48Å; S551-R555 VanDerWaalsContact O-N 3.11Å; V552-R555 PolarHBondContact O-N 2.92Å; R555-A557 VanDerWaalsContact C-N 3.29Å; R555-A557 PolarHBondContact O-N 2.84Å; R555-Y558 PolarHBondContact O-N 2.96Å; R555-F559 WeakPolarHBondContact O-CB 3.47Å; R555-F559 PolarHBondContact O-N 2.7Å
556	A	82.2	Confident	78.3	Confident	2 Å²	2	63.9 Å²	63.9	2%	0.017	31%	0.313	C	S	.	.	H	α-helix	trans	-59.9	-40.4	174.7	0	0	0	0	0	111.9	Y539 L543 V552 F559 E560 L572	Y539-A556 HydrophobicContact CD1-CB 3.91Å; Y539-A556 HydrophobicContact CD2-CB 4.5Å; Y539-A556 HydrophobicContact CG-CB 3.91Å; L543-A556 HydrophobicContact CD1-CB 4.09Å; V552-A556 WeakPolarHBondContact O-CB 3.49Å; V552-A556 PolarHBondContact O-N 3.43Å; A556-F559 PolarHBondContact O-N 2.9Å; A556-E560 WeakPolarHBondContact O-CB 3.4Å; A556-E560 WeakPolarHBondContact O-CG 3.35Å; A556-E560 PolarHBondContact O-N 3.4Å; A556-L572 HydrophobicContact CB-CD2 3.83Å
557	A	81.7	Confident	78.2	Confident	1 Å²	1	69.7 Å²	69.7	1%	0.008	34%	0.34	C	S	.	.	H	α-helix	trans	-71.8	-35.3	177.7	0	0	0	0	0	112.9	W553 L554 R555 K561 L572 L573 L586 M589	W553-A557 VanDerWaalsContact O-CB 3.23Å; W553-A557 WeakPolarHBondContact O-CB 3.36Å; W553-A557 PolarHBondContact O-N 2.87Å; L554-A557 PolarHBondContact O-N 3.24Å; R555-A557 VanDerWaalsContact C-N 3.29Å; R555-A557 PolarHBondContact O-N 2.84Å; A557-K561 WeakPolarHBondContact O-CB 3.08Å; A557-K561 PolarHBondContact O-N 3.46Å; A557-L572 HydrophobicContact CB-CD2 4.39Å; A557-L573 HydrophobicContact CB-CD2 4.07Å; A557-L586 HydrophobicContact CB-CD2 4.16Å; A557-M589 HydrophobicContact CB-SD 3.41Å; A557-M589 WeakPolarHBondContact CB-SD 3.45Å
558	Y	82.2	Confident	78.2	Confident	109 Å²	109	68.9 Å²	68.9	43%	0.427	34%	0.336	S	S	.	.	H	α-helix	trans	-66.2	-40.6	170.2	-79.5	-56.4	0	0	0	112.1	L554 R555 K561 N562 M589	L554-Y558 HydrophobicContact CD1-CD2 4.46Å; L554-Y558 HydrophobicContact CD1-CE2 3.86Å; L554-Y558 HydrophobicContact CD2-CD2 4.37Å; L554-Y558 HydrophobicContact CD2-CE2 3.7Å; L554-Y558 HydrophobicContact CG-CD2 3.82Å; L554-Y558 HydrophobicContact CG-CE2 3.45Å; L554-Y558 VanDerWaalsContact CG-CE2 3.45Å; L554-Y558 WeakPolarHBondContact O-CD2 3.47Å; L554-Y558 PolarHBondContact O-N 3.46Å; R555-Y558 PolarHBondContact O-N 2.96Å; Y558-K561 WeakPolarHBondContact O-CB 3.35Å; Y558-K561 PolarHBondContact O-N 3.36Å; Y558-N562 VanDerWaalsContact O-CG 3.28Å; Y558-N562 PolarHBondContact O-N 3.1Å; Y558-N562 PolarHBondContact O-OD1 3.32Å; Y558-M589 HydrophobicContact CD1-CE 3.83Å; Y558-M589 HydrophobicContact CE1-CE 3.55Å; Y558-M589 HydrophobicContact CE2-CE 4.43Å; Y558-M589 HydrophobicContact CG-CE 4.35Å
559	F	83.1	Confident	78.4	Confident	9 Å²	9	65.2 Å²	65.2	4%	0.039	31%	0.309	C	S	.	.	H	α-helix	trans	-60.6	-48.7	175.3	167.3	-95.9	0	0	0	111	V527 L532 A535 R536 Y539 R555 A556 K561 N562 H563	V527-F559 HydrophobicContact CG1-CD2 4.29Å; V527-F559 HydrophobicContact CG1-CE2 4.39Å; V527-F559 HydrophobicContact CG2-CD2 3.39Å; V527-F559 HydrophobicContact CG2-CE2 3.42Å; V527-F559 VanDerWaalsContact CG2-CE2 3.42Å; L532-F559 HydrophobicContact CB-CZ 4.25Å; L532-F559 HydrophobicContact CD2-CE2 4.02Å; L532-F559 HydrophobicContact CD2-CZ 4.42Å; L532-F559 VanDerWaalsContact O-CZ 3.31Å; L532-F559 WeakPolarHBondContact O-CZ 3.21Å; A535-F559 HydrophobicContact CB-CE2 3.96Å; A535-F559 HydrophobicContact CB-CZ 3.98Å; R536-F559 HydrophobicContact CG-CD1 4.48Å; R536-F559 HydrophobicContact CG-CE1 3.45Å; R536-F559 VanDerWaalsContact CG-CE1 3.45Å; R536-F559 HydrophobicContact CG-CZ 4.05Å; Y539-F559 HydrophobicContact CD2-CB 4.3Å; Y539-F559 AromaticContact CD2-CD1 3.78Å; Y539-F559 HydrophobicContact CD2-CD1 3.78Å; Y539-F559 HydrophobicContact CD2-CE1 4.42Å; Y539-F559 HydrophobicContact CD2-CG 4Å; Y539-F559 HydrophobicContact CE2-CB 3.66Å; Y539-F559 AromaticContact CE2-CD1 3.83Å; Y539-F559 HydrophobicContact CE2-CD1 3.83Å; Y539-F559 HydrophobicContact CE2-CD2 4.09Å; Y539-F559 AromaticContact CE2-CG 3.53Å; Y539-F559 HydrophobicContact CE2-CG 3.53Å; R555-F559 WeakPolarHBondContact O-CB 3.47Å; R555-F559 PolarHBondContact O-N 2.7Å; A556-F559 PolarHBondContact O-N 2.9Å; F559-K561 VanDerWaalsContact C-N 3.3Å; F559-K561 PolarHBondContact O-N 2.82Å; F559-N562 PolarHBondContact O-N 3.18Å; F559-N562 VanDerWaalsContact O-N 3.12Å; F559-H563 AromaticContact CD2-CD2 3.71Å; F559-H563 HydrophobicContact CE2-CB 3.94Å; F559-H563 AromaticContact CE2-CD2 3.65Å; F559-H563 HydrophobicContact CZ-CB 4.08Å; F559-H563 PolarHBondContact O-N 3.38Å
560	E	80.9	Confident	78.4	Confident	16 Å²	16	63.4 Å²	63.4	8%	0.075	30%	0.302	C	S	.	.	H	α-helix	trans	-66.1	-29.8	175	-75.1	-63.4	143.1	0	0	112.5	R536 A556 N562 G564 S568 L569 L572	R536-E560 VanDerWaalsContact CD-OE1 3.23Å; R536-E560 WeakPolarHBondContact CD-OE1 3.39Å; R536-E560 VanDerWaalsContact CG-OE1 3.29Å; R536-E560 WeakPolarHBondContact CG-OE1 3.35Å; R536-E560 IonicContact CZ-OE1 3.5Å; R536-E560 IonicContact NE-OE1 3.76Å; R536-E560 PolarHBondContact NE-OE1 3.19Å; R536-E560 IonicContact NE-OE2 3.67Å; A556-E560 WeakPolarHBondContact O-CB 3.4Å; A556-E560 WeakPolarHBondContact O-CG 3.35Å; A556-E560 PolarHBondContact O-N 3.4Å; E560-N562 VanDerWaalsContact C-N 3.3Å; E560-N562 PolarHBondContact O-N 2.71Å; E560-G564 WeakPolarHBondContact O-CA 3.33Å; E560-G564 PolarHBondContact O-N 3.25Å; E560-G564 WeakPolarHBondContact OE2-CA 3.48Å; E560-S568 VanDerWaalsContact OE2-CB 3.32Å; E560-S568 WeakPolarHBondContact OE2-CB 3.23Å; E560-S568 PolarHBondContact OE2-OG 2.85Å; E560-L569 HydrophobicContact CB-CB 4.17Å; E560-L569 HydrophobicContact CB-CD1 3.67Å; E560-L572 HydrophobicContact CB-CD2 4.4Å; E560-L572 HydrophobicContact CG-CD2 3.86Å
561	K	81.4	Confident	78.4	Confident	89 Å²	89	57.4 Å²	57.4	39%	0.387	28%	0.282	S	S	.	.	H	α-helix	trans	-64	-38.2	171.6	-171	-173.8	180	-167.4	0	111.5	A557 Y558 F559 E881	A557-K561 WeakPolarHBondContact O-CB 3.08Å; A557-K561 PolarHBondContact O-N 3.46Å; Y558-K561 WeakPolarHBondContact O-CB 3.35Å; Y558-K561 PolarHBondContact O-N 3.36Å; F559-K561 VanDerWaalsContact C-N 3.3Å; F559-K561 PolarHBondContact O-N 2.82Å; K561-E881 IonicContact NZ-OE1 3.57Å; K561-E881 PolarHBondContact NZ-OE1 2.69Å
562	N	80.3	Confident	78.4	Confident	115 Å²	115	56.6 Å²	56.6	62%	0.615	28%	0.275	S	S	*	.	H	α-helix	trans	-83	-38.2	-175.4	-68.1	-7.9	0	0	0	113	Y558 F559 E560	Y558-N562 VanDerWaalsContact O-CG 3.28Å; Y558-N562 PolarHBondContact O-N 3.1Å; Y558-N562 PolarHBondContact O-OD1 3.32Å; F559-N562 PolarHBondContact O-N 3.18Å; F559-N562 VanDerWaalsContact O-N 3.12Å; E560-N562 VanDerWaalsContact C-N 3.3Å; E560-N562 PolarHBondContact O-N 2.71Å
563	H	72.9	Confident	78.1	Confident	70 Å²	70	56.9 Å²	56.9	32%	0.324	28%	0.276	S	S	.	.	H	α-helix	trans	-126.2	-10.7	-168.5	-61.1	-71.6	0	0	0	113.8	L532 R536 F559	L532-H563 HydrophobicContact CD1-CB 4.11Å; L532-H563 HydrophobicContact CD2-CB 3.94Å; L532-H563 WeakPolarHBondContact CD2-ND1 3.45Å; L532-H563 HydrophobicContact CG-CB 4.49Å; R536-H563 PolarHBondContact NH2-O 3.35Å; F559-H563 AromaticContact CD2-CD2 3.71Å; F559-H563 HydrophobicContact CE2-CB 3.94Å; F559-H563 AromaticContact CE2-CD2 3.65Å; F559-H563 HydrophobicContact CZ-CB 4.08Å; F559-H563 PolarHBondContact O-N 3.38Å
564	G	67.3	Low	77.9	Confident	26 Å²	26	62.5 Å²	62.5	27%	0.268	30%	0.303	S	S	.	.			trans	-78.4	156.5	-171.3	0	0	0	0	0	115.2	E560	E560-G564 WeakPolarHBondContact O-CA 3.33Å; E560-G564 PolarHBondContact O-N 3.25Å; E560-G564 WeakPolarHBondContact OE2-CA 3.48Å
565	T	66.1	Low	77.7	Confident	84 Å²	84	67.6 Å²	67.6	52%	0.515	32%	0.319	S	S	.	.			trans	-73.1	150.3	159.4	64.6	0	0	0	0	109.2	E567 S568 L569	T565-E567 PolarHBondContact O-N 3.14Å; T565-S568 PolarHBondContact N-OG 3.27Å; T565-S568 VanDerWaalsContact N-OG 3.1Å; T565-S568 PolarHBondContact O-N 3.24Å; T565-S568 PolarHBondContact O-OG 3Å; T565-S568 WeakPolarHBondContact OG1-CB 3.46Å; T565-S568 PolarHBondContact OG1-N 3.39Å; T565-S568 PolarHBondContact OG1-OG 3.26Å; T565-L569 PolarHBondContact O-N 3.26Å; T565-L569 VanDerWaalsContact O-N 3.16Å
566	R	66.8	Low	77.6	Confident	206 Å²	206	62.9 Å²	62.9	78%	0.777	30%	0.301	S	S	*	.	H	α-helix	trans	-58.6	-34.2	-178.6	-62.7	179.7	178.6	111.7	-0.5	111.6	E570	R566-E570 VanDerWaalsContact O-CG 3.28Å; R566-E570 WeakPolarHBondContact O-CG 3.3Å; R566-E570 PolarHBondContact O-N 2.91Å
567	E	75.6	Confident	77.2	Confident	156 Å²	156	64.3 Å²	64.3	73%	0.729	31%	0.31	S	S	*	.	H	α-helix	trans	-73.2	-38.5	179.5	-62.1	176	-175.9	0	0	112.9	T565 E570 A571	T565-E567 PolarHBondContact O-N 3.14Å; E567-E570 PolarHBondContact O-N 3.5Å; E567-A571 WeakPolarHBondContact O-CB 3.39Å; E567-A571 PolarHBondContact O-N 2.92Å
568	S	77.2	Confident	77.1	Confident	33 Å²	33	67.9 Å²	67.9	23%	0.231	34%	0.339	C	S	.	.	H	α-helix	trans	-66.4	-39.3	175.9	54.3	0	0	0	0	111.8	E560 T565 A571 L572	E560-S568 VanDerWaalsContact OE2-CB 3.32Å; E560-S568 WeakPolarHBondContact OE2-CB 3.23Å; E560-S568 PolarHBondContact OE2-OG 2.85Å; T565-S568 PolarHBondContact N-OG 3.27Å; T565-S568 VanDerWaalsContact N-OG 3.1Å; T565-S568 PolarHBondContact O-N 3.24Å; T565-S568 PolarHBondContact O-OG 3Å; T565-S568 WeakPolarHBondContact OG1-CB 3.46Å; T565-S568 PolarHBondContact OG1-N 3.39Å; T565-S568 PolarHBondContact OG1-OG 3.26Å; S568-A571 PolarHBondContact O-N 3.41Å; S568-L572 VanDerWaalsContact O-CB 3.28Å; S568-L572 WeakPolarHBondContact O-CB 3.47Å; S568-L572 PolarHBondContact O-N 3.41Å
569	L	76.3	Confident	76.8	Confident	18 Å²	18	68.1 Å²	68.1	9%	0.094	34%	0.344	C	S	.	.	H	α-helix	trans	-61	-43.9	173	-179.1	63.6	0	0	0	111.4	E560 T565 L572 L573	E560-L569 HydrophobicContact CB-CB 4.17Å; E560-L569 HydrophobicContact CB-CD1 3.67Å; T565-L569 PolarHBondContact O-N 3.26Å; T565-L569 VanDerWaalsContact O-N 3.16Å; L569-L572 PolarHBondContact O-N 2.87Å; L569-L573 HydrophobicContact CD1-CD1 3.73Å; L569-L573 HydrophobicContact CD1-CG 4.15Å; L569-L573 HydrophobicContact CD2-CD1 4.42Å; L569-L573 HydrophobicContact CG-CD1 3.7Å; L569-L573 HydrophobicContact CG-CG 4.44Å; L569-L573 WeakPolarHBondContact O-CB 3.34Å; L569-L573 WeakPolarHBondContact O-CG 3.46Å; L569-L573 PolarHBondContact O-N 2.96Å
570	E	76.2	Confident	76.2	Confident	41 Å²	41	68.3 Å²	68.3	19%	0.192	35%	0.346	C	S	.	.	H	α-helix	trans	-65.6	-46.1	178.3	-72.7	176.8	176.2	0	0	112.7	R566 E567 L572 L573 Q574 K594	R566-E570 VanDerWaalsContact O-CG 3.28Å; R566-E570 WeakPolarHBondContact O-CG 3.3Å; R566-E570 PolarHBondContact O-N 2.91Å; E567-E570 PolarHBondContact O-N 3.5Å; E570-L572 VanDerWaalsContact C-N 3.29Å; E570-L572 PolarHBondContact O-N 2.92Å; E570-L573 PolarHBondContact O-N 3.42Å; E570-Q574 WeakPolarHBondContact O-CB 3.25Å; E570-Q574 VanDerWaalsContact O-CG 3.31Å; E570-Q574 WeakPolarHBondContact O-CG 3.32Å; E570-Q574 PolarHBondContact O-N 3.33Å; E570-K594 HydrophobicContact CG-CD 4.47Å; E570-K594 WeakPolarHBondContact OE1-CD 3.34Å; E570-K594 WeakPolarHBondContact OE1-CE 3.48Å; E570-K594 IonicContact OE1-NZ 2.75Å; E570-K594 PolarHBondContact OE1-NZ 3.21Å; E570-K594 WeakPolarHBondContact OE2-CE 3.25Å; E570-K594 IonicContact OE2-NZ 3.44Å; E570-K594 PolarHBondContact OE2-NZ 3.38Å
571	A	81.1	Confident	75.7	Confident	36 Å²	36	70.4 Å²	70.4	30%	0.298	36%	0.361	S	S	.	.	H	α-helix	trans	-61.1	-40.5	176.7	0	0	0	0	0	111.3	E567 S568 R575	E567-A571 WeakPolarHBondContact O-CB 3.39Å; E567-A571 PolarHBondContact O-N 2.92Å; S568-A571 PolarHBondContact O-N 3.41Å; A571-R575 VanDerWaalsContact O-CG 3.29Å; A571-R575 WeakPolarHBondContact O-CG 3.29Å; A571-R575 PolarHBondContact O-N 3.42Å; A571-R575 VanDerWaalsContact O-N 3.14Å
572	L	81.2	Confident	75.3	Confident	21 Å²	21	74.9 Å²	74.9	11%	0.11	38%	0.381	C	S	.	.	H	α-helix	trans	-64.3	-46.5	175.1	-176.9	70.8	0	0	0	111.2	L543 W553 A556 A557 E560 S568 L569 E570 R575 A576	L543-L572 HydrophobicContact CD1-CD1 3.53Å; W553-L572 HydrophobicContact CE3-CD1 4.1Å; W553-L572 HydrophobicContact CE3-CG 4.49Å; W553-L572 HydrophobicContact CZ3-CD1 3.74Å; W553-L572 HydrophobicContact CZ3-CG 4.38Å; A556-L572 HydrophobicContact CB-CD2 3.83Å; A557-L572 HydrophobicContact CB-CD2 4.39Å; E560-L572 HydrophobicContact CB-CD2 4.4Å; E560-L572 HydrophobicContact CG-CD2 3.86Å; S568-L572 VanDerWaalsContact O-CB 3.28Å; S568-L572 WeakPolarHBondContact O-CB 3.47Å; S568-L572 PolarHBondContact O-N 3.41Å; L569-L572 PolarHBondContact O-N 2.87Å; E570-L572 VanDerWaalsContact C-N 3.29Å; E570-L572 PolarHBondContact O-N 2.92Å; L572-R575 PolarHBondContact O-N 3.02Å; L572-A576 VanDerWaalsContact O-CB 3.32Å; L572-A576 WeakPolarHBondContact O-CB 3.2Å; L572-A576 PolarHBondContact O-N 3.04Å
573	L	77.3	Confident	75	Confident	6 Å²	6	70.1 Å²	70.1	3%	0.031	36%	0.357	C	S	.	.	H	α-helix	trans	-68.5	-35.2	-178.3	-70.2	169.3	0	0	0	112.3	A557 L569 E570 A576 V577 L586 M589	A557-L573 HydrophobicContact CB-CD2 4.07Å; L569-L573 HydrophobicContact CD1-CD1 3.73Å; L569-L573 HydrophobicContact CD1-CG 4.15Å; L569-L573 HydrophobicContact CD2-CD1 4.42Å; L569-L573 HydrophobicContact CG-CD1 3.7Å; L569-L573 HydrophobicContact CG-CG 4.44Å; L569-L573 WeakPolarHBondContact O-CB 3.34Å; L569-L573 WeakPolarHBondContact O-CG 3.46Å; L569-L573 PolarHBondContact O-N 2.96Å; E570-L573 PolarHBondContact O-N 3.42Å; L573-A576 WeakPolarHBondContact O-CB 3.47Å; L573-A576 PolarHBondContact O-N 3.18Å; L573-V577 WeakPolarHBondContact O-CB 3.48Å; L573-V577 VanDerWaalsContact O-CG2 3.27Å; L573-V577 WeakPolarHBondContact O-CG2 3.39Å; L573-V577 PolarHBondContact O-N 3.21Å; L573-L586 HydrophobicContact CD2-CD2 4.38Å; L573-M589 HydrophobicContact CD1-CG 4.38Å; L573-M589 HydrophobicContact CD2-CB 4.37Å; L573-M589 HydrophobicContact CD2-CG 4.5Å
574	Q	79.8	Confident	75.2	Confident	126 Å²	126	69.8 Å²	69.8	59%	0.589	36%	0.356	S	S	*	.	H	α-helix	trans	-63.4	-44	171.8	-74.3	176.5	1.2	0	0	112	E570 A576 V577 A578	E570-Q574 WeakPolarHBondContact O-CB 3.25Å; E570-Q574 VanDerWaalsContact O-CG 3.31Å; E570-Q574 WeakPolarHBondContact O-CG 3.32Å; E570-Q574 PolarHBondContact O-N 3.33Å; Q574-A576 VanDerWaalsContact C-N 3.33Å; Q574-V577 PolarHBondContact O-N 3.39Å; Q574-A578 PolarHBondContact O-N 2.86Å; Q574-A578 VanDerWaalsContact O-N 3.14Å
575	R	80.5	Confident	75.9	Confident	155 Å²	155	71.6 Å²	71.6	59%	0.585	36%	0.362	S	S	*	.	H	α-helix	trans	-63.4	-41.2	173.4	-69	173.8	-171.1	167.6	4.3	111.3	W553 A571 L572 V577 A578 H579	W553-R575 HydrophobicContact CH2-CB 3.87Å; W553-R575 HydrophobicContact CZ3-CB 4.07Å; A571-R575 VanDerWaalsContact O-CG 3.29Å; A571-R575 WeakPolarHBondContact O-CG 3.29Å; A571-R575 PolarHBondContact O-N 3.42Å; A571-R575 VanDerWaalsContact O-N 3.14Å; L572-R575 PolarHBondContact O-N 3.02Å; R575-V577 VanDerWaalsContact C-N 3.3Å; R575-V577 PolarHBondContact O-N 3.41Å; R575-A578 PolarHBondContact O-N 3.12Å; R575-H579 PolarHBondContact O-CD2 2.8Å; R575-H579 PolarHBondContact O-N 3.49Å; R575-H579 VanDerWaalsContact O-N 3.08Å
576	A	78.9	Confident	76.6	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.008	34%	0.338	C	S	.	.	H	α-helix	trans	-61.3	-41.4	179.1	0	0	0	0	0	111.8	W553 L572 L573 Q574 H579 C580 L586	W553-A576 HydrophobicContact CD2-CB 3.78Å; W553-A576 HydrophobicContact CE3-CB 3.27Å; W553-A576 HydrophobicContact CG-CB 4.4Å; W553-A576 HydrophobicContact CH2-CB 4.41Å; W553-A576 VanDerWaalsContact CZ3-CA 3.48Å; W553-A576 HydrophobicContact CZ3-CB 3.62Å; L572-A576 VanDerWaalsContact O-CB 3.32Å; L572-A576 WeakPolarHBondContact O-CB 3.2Å; L572-A576 PolarHBondContact O-N 3.04Å; L573-A576 WeakPolarHBondContact O-CB 3.47Å; L573-A576 PolarHBondContact O-N 3.18Å; Q574-A576 VanDerWaalsContact C-N 3.33Å; A576-H579 PolarHBondContact O-N 3.39Å; A576-C580 WeakPolarHBondContact O-CA 3.07Å; A576-C580 WeakPolarHBondContact O-CB 3.36Å; A576-C580 PolarHBondContact O-N 3.47Å; A576-L586 HydrophobicContact CB-CD1 4.13Å
577	V	74.1	Confident	77.3	Confident	33 Å²	33	58.2 Å²	58.2	20%	0.2	30%	0.302	C	S	.	.	H	α-helix	trans	-62.7	-42.4	176	150.2	0	0	0	0	112.1	L573 Q574 R575 W587 L609	L573-V577 WeakPolarHBondContact O-CB 3.48Å; L573-V577 VanDerWaalsContact O-CG2 3.27Å; L573-V577 WeakPolarHBondContact O-CG2 3.39Å; L573-V577 PolarHBondContact O-N 3.21Å; Q574-V577 PolarHBondContact O-N 3.39Å; R575-V577 VanDerWaalsContact C-N 3.3Å; R575-V577 PolarHBondContact O-N 3.41Å; V577-W587 HydrophobicContact CB-CH2 3.76Å; V577-W587 HydrophobicContact CB-CZ2 3.99Å; V577-W587 HydrophobicContact CB-CZ3 4.05Å; V577-W587 HydrophobicContact CG1-CE3 4.45Å; V577-W587 HydrophobicContact CG1-CH2 2.98Å; V577-W587 HydrophobicContact CG1-CZ2 3.54Å; V577-W587 HydrophobicContact CG1-CZ3 3.52Å; V577-W587 HydrophobicContact CG2-CD2 3.74Å; V577-W587 HydrophobicContact CG2-CE3 3.49Å; V577-W587 VanDerWaalsContact CG2-CE3 3.49Å; V577-W587 HydrophobicContact CG2-CH2 3.55Å; V577-W587 HydrophobicContact CG2-CZ2 3.77Å; V577-W587 HydrophobicContact CG2-CZ3 3.4Å; V577-L609 HydrophobicContact CG1-CD2 4.39Å
578	A	79.4	Confident	77.5	Confident	76 Å²	76	52 Å²	52	63%	0.628	27%	0.274	S	S	*	.	H	α-helix	trans	-67.3	-39.6	179.4	0	0	0	0	0	112.5	Q574 R575	Q574-A578 PolarHBondContact O-N 2.86Å; Q574-A578 VanDerWaalsContact O-N 3.14Å; R575-A578 PolarHBondContact O-N 3.12Å
579	H	76.3	Confident	77.6	Confident	113 Å²	113	51.6 Å²	51.6	52%	0.523	27%	0.268	S	S	.	.	H	α-helix	trans	-92	-27.8	-176	-68.7	-69.1	0	0	0	114.3	P547 W553 R575 A576	P547-H579 HydrophobicContact CB-CB 4.3Å; W553-H579 HydrophobicContact CZ2-CB 4Å; R575-H579 PolarHBondContact O-CD2 2.8Å; R575-H579 PolarHBondContact O-N 3.49Å; R575-H579 VanDerWaalsContact O-N 3.08Å; A576-H579 PolarHBondContact O-N 3.39Å
580	C	70.1	Confident	77.7	Confident	13 Å²	13	51 Å²	51	9%	0.088	27%	0.267	C	S	.	.			trans	-128.3	72.7	-179	-77.3	0	0	0	0	112.3	P547 A576 K582 A583	P547-C580 PolarHBondContact O-SG 2.81Å; A576-C580 WeakPolarHBondContact O-CA 3.07Å; A576-C580 WeakPolarHBondContact O-CB 3.36Å; A576-C580 PolarHBondContact O-N 3.47Å; C580-K582 VanDerWaalsContact C-N 3.29Å; C580-K582 PolarHBondContact O-N 3.42Å; C580-A583 HydrophobicContact CB-CB 4.15Å; C580-A583 PolarHBondContact O-N 3.05Å
581	P	71.8	Confident	78	Confident	60 Å²	60	49.3 Å²	49.3	39%	0.39	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-28.8	-177.6	24.8	-33.8	0	0	0	113.5	A583 W587 A613 N614	P581-A583 VanDerWaalsContact C-N 3.3Å; P581-A583 PolarHBondContact O-N 2.78Å; P581-W587 PolarHBondContact O-NE1 3.39Å; P581-A613 HydrophobicContact CB-CB 4.33Å; P581-N614 PolarHBondContact O-ND2 2.97Å; P581-N614 PolarHBondContact O-OD1 3.25Å
582	K	72.6	Confident	77.9	Confident	183 Å²	183	51.2 Å²	51.2	80%	0.796	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-5.8	-178.2	-61.3	-178.4	-178.4	178.9	0	114.4	C580 E584	C580-K582 VanDerWaalsContact C-N 3.29Å; C580-K582 PolarHBondContact O-N 3.42Å; K582-E584 PolarHBondContact O-N 2.82Å
583	A	74.1	Confident	77.9	Confident	15 Å²	15	51.1 Å²	51.1	12%	0.124	26%	0.263	C	S	.	.			trans	-88	87.5	-174.5	0	0	0	0	0	111.6	K550 C580 P581 V585 L586	K550-A583 HydrophobicContact CB-CB 4.37Å; C580-A583 HydrophobicContact CB-CB 4.15Å; C580-A583 PolarHBondContact O-N 3.05Å; P581-A583 VanDerWaalsContact C-N 3.3Å; P581-A583 PolarHBondContact O-N 2.78Å; A583-V585 VanDerWaalsContact C-N 3.32Å; A583-V585 PolarHBondContact O-N 3.5Å; A583-L586 HydrophobicContact CB-CB 4.46Å; A583-L586 HydrophobicContact CB-CD1 3.68Å; A583-L586 HydrophobicContact CB-CG 4.19Å; A583-L586 PolarHBondContact O-N 3.31Å; A583-L586 VanDerWaalsContact O-N 3.16Å
584	E	77.2	Confident	78	Confident	63 Å²	63	52.4 Å²	52.4	29%	0.294	27%	0.268	S	S	.	.	H	α-helix	trans	-54.7	-41.4	-175.6	-58.1	176.4	-171.9	0	0	113.9	K582 L586 W587 L588 S617 I620	K582-E584 PolarHBondContact O-N 2.82Å; E584-L586 VanDerWaalsContact C-N 3.26Å; E584-L586 PolarHBondContact O-N 2.96Å; E584-W587 WeakPolarHBondContact O-CB 3.45Å; E584-W587 PolarHBondContact O-N 3.44Å; E584-L588 WeakPolarHBondContact O-CG 3.01Å; E584-L588 PolarHBondContact O-N 3.26Å; E584-S617 VanDerWaalsContact CD-CB 3.42Å; E584-S617 VanDerWaalsContact OE1-CB 3.28Å; E584-S617 WeakPolarHBondContact OE1-CB 3.45Å; E584-S617 PolarHBondContact OE1-OG 2.84Å; E584-I620 HydrophobicContact CG-CD1 4.41Å
585	V	80.9	Confident	78	Confident	65 Å²	65	48.2 Å²	48.2	39%	0.394	25%	0.246	S	C	.	.	H	α-helix	trans	-62.8	-33.2	-177.8	-175.6	0	0	0	0	112.2	L554 A583 L588 M589	L554-V585 HydrophobicContact CD1-CB 4.12Å; L554-V585 HydrophobicContact CD1-CG1 3.5Å; A583-V585 VanDerWaalsContact C-N 3.32Å; A583-V585 PolarHBondContact O-N 3.5Å; V585-L588 PolarHBondContact O-N 3.16Å; V585-M589 WeakPolarHBondContact O-CB 3.41Å; V585-M589 PolarHBondContact O-N 3.25Å
586	L	80.8	Confident	77.9	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.021	25%	0.25	C	C	.	.	H	α-helix	trans	-71.8	-39.1	178.2	-64.5	171.2	0	0	0	111.2	W553 L554 A557 L573 A576 A583 E584 L588 M589 G590	W553-L586 HydrophobicContact CB-CD1 3.51Å; W553-L586 HydrophobicContact CB-CD2 4.13Å; W553-L586 HydrophobicContact CB-CG 4.48Å; W553-L586 HydrophobicContact CG-CD1 4.18Å; L554-L586 HydrophobicContact CD1-CD2 4.35Å; A557-L586 HydrophobicContact CB-CD2 4.16Å; L573-L586 HydrophobicContact CD2-CD2 4.38Å; A576-L586 HydrophobicContact CB-CD1 4.13Å; A583-L586 HydrophobicContact CB-CB 4.46Å; A583-L586 HydrophobicContact CB-CD1 3.68Å; A583-L586 HydrophobicContact CB-CG 4.19Å; A583-L586 PolarHBondContact O-N 3.31Å; A583-L586 VanDerWaalsContact O-N 3.16Å; E584-L586 VanDerWaalsContact C-N 3.26Å; E584-L586 PolarHBondContact O-N 2.96Å; L586-L588 VanDerWaalsContact C-N 3.33Å; L586-L588 PolarHBondContact O-N 3.18Å; L586-M589 PolarHBondContact O-N 2.99Å; L586-G590 PolarHBondContact O-N 3.39Å
587	W	81.4	Confident	77.6	Confident	5 Å²	5	49.4 Å²	49.4	2%	0.019	27%	0.272	C	S	.	.	H	α-helix	trans	-60	-44.6	171.4	-68.7	105.9	0	0	0	112	V577 P581 E584 M589 G590 A591 I606 L609 A610 A613	V577-W587 HydrophobicContact CB-CH2 3.76Å; V577-W587 HydrophobicContact CB-CZ2 3.99Å; V577-W587 HydrophobicContact CB-CZ3 4.05Å; V577-W587 HydrophobicContact CG1-CE3 4.45Å; V577-W587 HydrophobicContact CG1-CH2 2.98Å; V577-W587 HydrophobicContact CG1-CZ2 3.54Å; V577-W587 HydrophobicContact CG1-CZ3 3.52Å; V577-W587 HydrophobicContact CG2-CD2 3.74Å; V577-W587 HydrophobicContact CG2-CE3 3.49Å; V577-W587 VanDerWaalsContact CG2-CE3 3.49Å; V577-W587 HydrophobicContact CG2-CH2 3.55Å; V577-W587 HydrophobicContact CG2-CZ2 3.77Å; V577-W587 HydrophobicContact CG2-CZ3 3.4Å; P581-W587 PolarHBondContact O-NE1 3.39Å; E584-W587 WeakPolarHBondContact O-CB 3.45Å; E584-W587 PolarHBondContact O-N 3.44Å; W587-M589 VanDerWaalsContact C-N 3.31Å; W587-M589 PolarHBondContact O-N 3.17Å; W587-G590 PolarHBondContact O-N 3.1Å; W587-A591 WeakPolarHBondContact O-CB 3.45Å; W587-A591 PolarHBondContact O-N 2.91Å; W587-I606 HydrophobicContact CE3-CG2 3.91Å; W587-I606 HydrophobicContact CZ3-CG2 4.14Å; W587-L609 HydrophobicContact CH2-CD2 3.29Å; W587-L609 HydrophobicContact CZ2-CD2 4.36Å; W587-L609 HydrophobicContact CZ3-CB 4.36Å; W587-L609 HydrophobicContact CZ3-CD2 3.8Å; W587-A610 HydrophobicContact CB-CB 4.05Å; W587-A610 HydrophobicContact CD2-CB 3.68Å; W587-A610 HydrophobicContact CE3-CB 3.6Å; W587-A610 HydrophobicContact CG-CB 3.91Å; W587-A610 HydrophobicContact CZ3-CB 4.2Å; W587-A613 HydrophobicContact CZ2-CB 4.01Å
588	L	81.3	Confident	77.7	Confident	26 Å²	26	50.5 Å²	50.5	14%	0.136	29%	0.29	C	S	.	.	H	α-helix	trans	-64.1	-38	177.1	-66.7	178.3	0	0	0	112	E584 V585 L586 K592 E619 A623	E584-L588 WeakPolarHBondContact O-CG 3.01Å; E584-L588 PolarHBondContact O-N 3.26Å; V585-L588 PolarHBondContact O-N 3.16Å; L586-L588 VanDerWaalsContact C-N 3.33Å; L586-L588 PolarHBondContact O-N 3.18Å; L588-K592 WeakPolarHBondContact O-CB 3.36Å; L588-K592 VanDerWaalsContact O-CG 3.25Å; L588-K592 WeakPolarHBondContact O-CG 3.48Å; L588-K592 PolarHBondContact O-N 3.4Å; L588-E619 HydrophobicContact CD1-CB 3.82Å; L588-A623 HydrophobicContact CD2-CB 3.18Å
589	M	78.1	Confident	77.8	Confident	23 Å²	23	50.1 Å²	50.1	11%	0.113	28%	0.277	C	S	.	.	H	α-helix	trans	-68.3	-42.1	175.6	-166	172.3	-69.9	0	0	111.4	L554 A557 Y558 L573 V585 L586 W587 K592 S593	L554-M589 HydrophobicContact CD1-CE 4.43Å; A557-M589 HydrophobicContact CB-SD 3.41Å; A557-M589 WeakPolarHBondContact CB-SD 3.45Å; Y558-M589 HydrophobicContact CD1-CE 3.83Å; Y558-M589 HydrophobicContact CE1-CE 3.55Å; Y558-M589 HydrophobicContact CE2-CE 4.43Å; Y558-M589 HydrophobicContact CG-CE 4.35Å; L573-M589 HydrophobicContact CD1-CG 4.38Å; L573-M589 HydrophobicContact CD2-CB 4.37Å; L573-M589 HydrophobicContact CD2-CG 4.5Å; V585-M589 WeakPolarHBondContact O-CB 3.41Å; V585-M589 PolarHBondContact O-N 3.25Å; L586-M589 PolarHBondContact O-N 2.99Å; W587-M589 VanDerWaalsContact C-N 3.31Å; W587-M589 PolarHBondContact O-N 3.17Å; M589-K592 PolarHBondContact O-N 3.02Å; M589-S593 WeakPolarHBondContact O-CB 3.44Å; M589-S593 PolarHBondContact O-N 3.1Å; M589-S593 PolarHBondContact O-OG 3.09Å
590	G	79.2	Confident	78	Confident	6 Å²	6	45.7 Å²	45.7	6%	0.062	26%	0.258	C	S	.	.	H	α-helix	trans	-55.8	-54.2	171.8	0	0	0	0	0	112.2	L586 W587 K592 S593 K594	L586-G590 PolarHBondContact O-N 3.39Å; W587-G590 PolarHBondContact O-N 3.1Å; G590-K592 VanDerWaalsContact C-N 3.34Å; G590-K592 PolarHBondContact O-N 3.37Å; G590-S593 PolarHBondContact O-N 3.13Å; G590-S593 PolarHBondContact O-OG 2.79Å; G590-K594 PolarHBondContact O-N 2.76Å; G590-K594 VanDerWaalsContact O-N 3.15Å
591	A	81.2	Confident	78.6	Confident	5 Å²	5	49.2 Å²	49.2	4%	0.041	28%	0.281	C	S	.	.	H	α-helix	trans	-59	-43.4	178.1	0	0	0	0	0	112.2	W587 W595 L607	W587-A591 WeakPolarHBondContact O-CB 3.45Å; W587-A591 PolarHBondContact O-N 2.91Å; A591-W595 VanDerWaalsContact O-CB 3.23Å; A591-W595 WeakPolarHBondContact O-CB 2.87Å; A591-W595 PolarHBondContact O-N 3.5Å; A591-L607 HydrophobicContact CB-CD1 4.13Å; A591-L607 HydrophobicContact CB-CD2 3.81Å; A591-L607 HydrophobicContact CB-CG 3.74Å
592	K	79.5	Confident	79.1	Confident	76 Å²	76	47.6 Å²	47.6	33%	0.33	27%	0.272	S	S	.	.	H	α-helix	trans	-65.2	-41.3	176.6	-78	179.9	177.8	-169.2	0	112.9	L588 M589 G590 W595 L596	L588-K592 WeakPolarHBondContact O-CB 3.36Å; L588-K592 VanDerWaalsContact O-CG 3.25Å; L588-K592 WeakPolarHBondContact O-CG 3.48Å; L588-K592 PolarHBondContact O-N 3.4Å; M589-K592 PolarHBondContact O-N 3.02Å; G590-K592 VanDerWaalsContact C-N 3.34Å; G590-K592 PolarHBondContact O-N 3.37Å; K592-W595 PolarHBondContact O-N 3.15Å; K592-L596 WeakPolarHBondContact O-CG 3.5Å; K592-L596 PolarHBondContact O-N 2.92Å
593	S	80.6	Confident	79.5	Confident	20 Å²	20	38.9 Å²	38.9	14%	0.14	23%	0.234	C	C	.	.	H	α-helix	trans	-62.1	-46.6	-180	68.5	0	0	0	0	111.6	M589 G590 W595 L596 A597	M589-S593 WeakPolarHBondContact O-CB 3.44Å; M589-S593 PolarHBondContact O-N 3.1Å; M589-S593 PolarHBondContact O-OG 3.09Å; G590-S593 PolarHBondContact O-N 3.13Å; G590-S593 PolarHBondContact O-OG 2.79Å; S593-W595 VanDerWaalsContact C-N 3.33Å; S593-W595 PolarHBondContact O-N 2.89Å; S593-L596 PolarHBondContact O-N 3.22Å; S593-A597 PolarHBondContact O-N 3.01Å
594	K	80.2	Confident	80	Confident	32 Å²	32	41 Å²	41	14%	0.139	24%	0.239	C	C	.	.	H	α-helix	trans	-64.7	-37	174.6	-74.9	-65.9	-173.1	-175.1	0	112.9	E570 G590 A597 G598 D599 A602 A603 I606	E570-K594 HydrophobicContact CG-CD 4.47Å; E570-K594 WeakPolarHBondContact OE1-CD 3.34Å; E570-K594 WeakPolarHBondContact OE1-CE 3.48Å; E570-K594 IonicContact OE1-NZ 2.75Å; E570-K594 PolarHBondContact OE1-NZ 3.21Å; E570-K594 WeakPolarHBondContact OE2-CE 3.25Å; E570-K594 IonicContact OE2-NZ 3.44Å; E570-K594 PolarHBondContact OE2-NZ 3.38Å; G590-K594 PolarHBondContact O-N 2.76Å; G590-K594 VanDerWaalsContact O-N 3.15Å; K594-A597 WeakPolarHBondContact O-CB 3.26Å; K594-A597 PolarHBondContact O-N 3.01Å; K594-G598 PolarHBondContact O-N 3.42Å; K594-D599 PolarHBondContact O-N 2.95Å; K594-D599 VanDerWaalsContact O-N 3.15Å; K594-A602 HydrophobicContact CD-CB 4.45Å; K594-A603 HydrophobicContact CB-CB 3.94Å; K594-I606 HydrophobicContact CG-CD1 3.67Å
595	W	80.8	Confident	80.4	Confident	38 Å²	38	41.7 Å²	41.7	14%	0.144	25%	0.251	C	S	.	.	H	α-helix	trans	-66.1	-42.2	175.7	176.9	49.6	0	0	0	112.7	A591 K592 S593 A597 G598 A603 L627 E630	A591-W595 VanDerWaalsContact O-CB 3.23Å; A591-W595 WeakPolarHBondContact O-CB 2.87Å; A591-W595 PolarHBondContact O-N 3.5Å; K592-W595 PolarHBondContact O-N 3.15Å; S593-W595 VanDerWaalsContact C-N 3.33Å; S593-W595 PolarHBondContact O-N 2.89Å; W595-A597 VanDerWaalsContact C-N 3.25Å; W595-A597 PolarHBondContact O-N 2.66Å; W595-G598 PolarHBondContact O-N 3.22Å; W595-A603 HydrophobicContact CB-CB 4.38Å; W595-L627 HydrophobicContact CB-CD1 4.45Å; W595-E630 VanDerWaalsContact CH2-OE1 3.22Å; W595-E630 WeakPolarHBondContact CH2-OE1 3.48Å; W595-E630 WeakPolarHBondContact CH2-OE2 3.22Å; W595-E630 HydrophobicContact CZ2-CB 4.15Å; W595-E630 HydrophobicContact CZ2-CG 4.23Å; W595-E630 WeakPolarHBondContact CZ2-OE2 3.42Å
596	L	76.6	Confident	80.4	Confident	124 Å²	124	40.6 Å²	40.6	65%	0.649	24%	0.243	S	C	*	.	H	α-helix	trans	-66.3	-28.1	173.9	-70.3	175	0	0	0	112.4	K592 S593 G598	K592-L596 WeakPolarHBondContact O-CG 3.5Å; K592-L596 PolarHBondContact O-N 2.92Å; S593-L596 PolarHBondContact O-N 3.22Å; L596-G598 PolarHBondContact O-N 3.29Å
597	A	73.6	Confident	80.5	Confident	57 Å²	57	40.7 Å²	40.7	47%	0.471	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-5.8	171.7	0	0	0	0	0	113.5	S593 K594 W595 D599	S593-A597 PolarHBondContact O-N 3.01Å; K594-A597 WeakPolarHBondContact O-CB 3.26Å; K594-A597 PolarHBondContact O-N 3.01Å; W595-A597 VanDerWaalsContact C-N 3.25Å; W595-A597 PolarHBondContact O-N 2.66Å; A597-D599 VanDerWaalsContact C-N 3.3Å
598	G	75.6	Confident	80.5	Confident	57 Å²	57	42.8 Å²	42.8	59%	0.588	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	-4.6	-179.3	0	0	0	0	0	114.5	K594 W595 L596 V600	K594-G598 PolarHBondContact O-N 3.42Å; W595-G598 PolarHBondContact O-N 3.22Å; L596-G598 PolarHBondContact O-N 3.29Å; G598-V600 PolarHBondContact O-N 2.89Å; G598-V600 VanDerWaalsContact O-N 3.11Å
599	D	81.5	Confident	80.6	Confident	67 Å²	67	45.6 Å²	45.6	36%	0.358	28%	0.276	S	S	.	.			trans	-87.2	80.8	178.2	-168.4	-12.1	0	0	0	111.1	K594 A597 P601 A602 A603	K594-D599 PolarHBondContact O-N 2.95Å; K594-D599 VanDerWaalsContact O-N 3.15Å; A597-D599 VanDerWaalsContact C-N 3.3Å; D599-P601 VanDerWaalsContact OD1-CD 3.31Å; D599-P601 WeakPolarHBondContact OD1-CD 3.36Å; D599-A602 HydrophobicContact CB-CB 4.23Å; D599-A602 WeakPolarHBondContact OD1-CB 3.37Å; D599-A602 PolarHBondContact OD1-N 3.05Å; D599-A602 WeakPolarHBondContact OD2-CB 3.48Å; D599-A603 PolarHBondContact O-N 3.4Å
600	V	80.4	Confident	80.8	Confident	21 Å²	21	44.5 Å²	44.5	13%	0.127	27%	0.271	C	S	.	.	H	α-helix	trans	-63.9	-44.6	177.4	-178.4	0	0	0	0	112.2	G598 A602 A603 R604 L627 N631	G598-V600 PolarHBondContact O-N 2.89Å; G598-V600 VanDerWaalsContact O-N 3.11Å; V600-A602 PolarHBondContact O-N 3.37Å; V600-A603 PolarHBondContact O-N 3.47Å; V600-R604 WeakPolarHBondContact O-CG 3.19Å; V600-R604 PolarHBondContact O-N 2.94Å; V600-L627 HydrophobicContact CG1-CD2 3.88Å; V600-N631 WeakPolarHBondContact CG1-ND2 3.36Å
601	P	83.9	Confident	80.8	Confident	87 Å²	87	46.4 Å²	46.4	57%	0.565	28%	0.277	S	S	*	.	H	α-helix	trans	-60.1	-42.5	177.3	-25.4	36.1	0	0	0	113.9	D599 R604 S605	D599-P601 VanDerWaalsContact OD1-CD 3.31Å; D599-P601 WeakPolarHBondContact OD1-CD 3.36Å; P601-R604 WeakPolarHBondContact O-CB 3.23Å; P601-R604 PolarHBondContact O-N 3.42Å; P601-S605 PolarHBondContact O-N 2.79Å
602	A	81.7	Confident	80.8	Confident	25 Å²	25	53.8 Å²	53.8	21%	0.207	31%	0.311	C	S	.	.	H	α-helix	trans	-66.6	-39.7	177	0	0	0	0	0	111.9	K594 D599 V600 R604 S605 I606	K594-A602 HydrophobicContact CD-CB 4.45Å; D599-A602 HydrophobicContact CB-CB 4.23Å; D599-A602 WeakPolarHBondContact OD1-CB 3.37Å; D599-A602 PolarHBondContact OD1-N 3.05Å; D599-A602 WeakPolarHBondContact OD2-CB 3.48Å; V600-A602 PolarHBondContact O-N 3.37Å; A602-R604 VanDerWaalsContact C-N 3.29Å; A602-R604 PolarHBondContact O-N 3.47Å; A602-S605 WeakPolarHBondContact O-CB 3.31Å; A602-S605 PolarHBondContact O-N 3.49Å; A602-S605 VanDerWaalsContact O-N 3.12Å; A602-I606 WeakPolarHBondContact O-CG1 3.41Å; A602-I606 PolarHBondContact O-N 2.86Å
603	A	81.5	Confident	80.8	Confident	0 Å²	0	52 Å²	52	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-60.4	-38.7	174.2	0	0	0	0	0	112	K594 W595 D599 V600 I606 L607 L627	K594-A603 HydrophobicContact CB-CB 3.94Å; W595-A603 HydrophobicContact CB-CB 4.38Å; D599-A603 PolarHBondContact O-N 3.4Å; V600-A603 PolarHBondContact O-N 3.47Å; A603-I606 PolarHBondContact O-N 3.28Å; A603-L607 WeakPolarHBondContact O-CG 3.34Å; A603-L607 PolarHBondContact O-N 3.26Å; A603-L627 HydrophobicContact CB-CD1 3.67Å
604	R	83.3	Confident	80.7	Confident	61 Å²	61	51.9 Å²	51.9	23%	0.23	31%	0.308	C	S	.	.	H	α-helix	trans	-63.8	-42	172.2	-70.9	170.9	173.8	140	-1.7	112.1	V600 P601 A602 L607 A608 L627 E628	V600-R604 WeakPolarHBondContact O-CG 3.19Å; V600-R604 PolarHBondContact O-N 2.94Å; P601-R604 WeakPolarHBondContact O-CB 3.23Å; P601-R604 PolarHBondContact O-N 3.42Å; A602-R604 VanDerWaalsContact C-N 3.29Å; A602-R604 PolarHBondContact O-N 3.47Å; R604-L607 PolarHBondContact O-N 3.46Å; R604-A608 WeakPolarHBondContact O-CB 3.45Å; R604-A608 PolarHBondContact O-N 3.34Å; R604-L627 HydrophobicContact CG-CD2 3.74Å; R604-E628 WeakPolarHBondContact CD-OE1 3.39Å; R604-E628 IonicContact CZ-OE1 3.84Å; R604-E628 IonicContact CZ-OE2 2.85Å; R604-E628 IonicContact NE-OE1 3.56Å; R604-E628 PolarHBondContact NE-OE1 3.31Å; R604-E628 IonicContact NE-OE2 3.73Å; R604-E628 PolarHBondContact NE-OE2 3.42Å; R604-E628 IonicContact NH2-OE1 2.7Å; R604-E628 IonicContact NH2-OE2 3.38Å; R604-E628 PolarHBondContact NH2-OE2 3.37Å
605	S	85.6	Confident	80.3	Confident	77 Å²	77	53.9 Å²	53.9	54%	0.538	32%	0.324	S	S	.	.	H	α-helix	trans	-62	-43.9	176.9	-173.6	0	0	0	0	111.6	P601 A602 A608 L609	P601-S605 PolarHBondContact O-N 2.79Å; A602-S605 WeakPolarHBondContact O-CB 3.31Å; A602-S605 PolarHBondContact O-N 3.49Å; A602-S605 VanDerWaalsContact O-N 3.12Å; S605-A608 WeakPolarHBondContact O-CB 3.39Å; S605-A608 PolarHBondContact O-N 3.4Å; S605-L609 PolarHBondContact O-N 3.39Å
606	I	82.6	Confident	79.7	Confident	42 Å²	42	58.2 Å²	58.2	22%	0.215	35%	0.35	C	S	.	.	H	α-helix	trans	-63.9	-42.2	176.4	-66.5	169.7	0	0	0	110.9	W587 K594 A602 A603 L609 A610	W587-I606 HydrophobicContact CE3-CG2 3.91Å; W587-I606 HydrophobicContact CZ3-CG2 4.14Å; K594-I606 HydrophobicContact CG-CD1 3.67Å; A602-I606 WeakPolarHBondContact O-CG1 3.41Å; A602-I606 PolarHBondContact O-N 2.86Å; A603-I606 PolarHBondContact O-N 3.28Å; I606-L609 PolarHBondContact O-N 3.15Å; I606-A610 WeakPolarHBondContact O-CB 3.42Å; I606-A610 PolarHBondContact O-N 3.5Å
607	L	81	Confident	79.3	Confident	5 Å²	5	52.7 Å²	52.7	3%	0.026	32%	0.322	C	S	.	.	H	α-helix	trans	-66.6	-35.2	175	-75.1	170.3	0	0	0	112.6	A591 A603 R604 L609 A610 F611 I620 A624 L627	A591-L607 HydrophobicContact CB-CD1 4.13Å; A591-L607 HydrophobicContact CB-CD2 3.81Å; A591-L607 HydrophobicContact CB-CG 3.74Å; A603-L607 WeakPolarHBondContact O-CG 3.34Å; A603-L607 PolarHBondContact O-N 3.26Å; R604-L607 PolarHBondContact O-N 3.46Å; L607-L609 VanDerWaalsContact C-N 3.33Å; L607-A610 CarbonylContact O-C 3.58Å; L607-A610 WeakPolarHBondContact O-CB 3.22Å; L607-A610 PolarHBondContact O-N 3.34Å; L607-F611 WeakPolarHBondContact O-CD2 3.34Å; L607-F611 WeakPolarHBondContact O-CG 3.4Å; L607-F611 PolarHBondContact O-N 2.76Å; L607-I620 HydrophobicContact CD2-CG2 3.99Å; L607-A624 HydrophobicContact CD1-CB 4.25Å; L607-L627 HydrophobicContact CD1-CD1 4.05Å
608	A	82.9	Confident	79.3	Confident	49 Å²	49	53.1 Å²	53.1	41%	0.405	32%	0.315	S	S	.	.	H	α-helix	trans	-63	-41.4	172.8	0	0	0	0	0	111.5	R604 S605 A610 F611 Q612	R604-A608 WeakPolarHBondContact O-CB 3.45Å; R604-A608 PolarHBondContact O-N 3.34Å; S605-A608 WeakPolarHBondContact O-CB 3.39Å; S605-A608 PolarHBondContact O-N 3.4Å; A608-A610 VanDerWaalsContact C-N 3.32Å; A608-F611 WeakPolarHBondContact O-CB 3.39Å; A608-F611 PolarHBondContact O-N 2.87Å; A608-Q612 PolarHBondContact O-N 3.37Å
609	L	83.6	Confident	79.4	Confident	85 Å²	85	53.7 Å²	53.7	45%	0.445	30%	0.302	S	S	.	.	H	α-helix	trans	-68	-34.9	174.4	-153.2	144.9	0	0	0	111.2	V577 W587 S605 I606 L607 F611 Q612 A613	V577-L609 HydrophobicContact CG1-CD2 4.39Å; W587-L609 HydrophobicContact CH2-CD2 3.29Å; W587-L609 HydrophobicContact CZ2-CD2 4.36Å; W587-L609 HydrophobicContact CZ3-CB 4.36Å; W587-L609 HydrophobicContact CZ3-CD2 3.8Å; S605-L609 PolarHBondContact O-N 3.39Å; I606-L609 PolarHBondContact O-N 3.15Å; L607-L609 VanDerWaalsContact C-N 3.33Å; L609-F611 PolarHBondContact O-N 3.44Å; L609-Q612 WeakPolarHBondContact O-CB 3.38Å; L609-Q612 PolarHBondContact O-N 3.09Å; L609-A613 PolarHBondContact O-N 3.13Å
610	A	82.6	Confident	79.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-64.6	-36.1	172	0	0	0	0	0	112.5	W587 I606 L607 A608 Q612 A613 N614 I620	W587-A610 HydrophobicContact CB-CB 4.05Å; W587-A610 HydrophobicContact CD2-CB 3.68Å; W587-A610 HydrophobicContact CE3-CB 3.6Å; W587-A610 HydrophobicContact CG-CB 3.91Å; W587-A610 HydrophobicContact CZ3-CB 4.2Å; I606-A610 WeakPolarHBondContact O-CB 3.42Å; I606-A610 PolarHBondContact O-N 3.5Å; L607-A610 CarbonylContact O-C 3.58Å; L607-A610 WeakPolarHBondContact O-CB 3.22Å; L607-A610 PolarHBondContact O-N 3.34Å; A608-A610 VanDerWaalsContact C-N 3.32Å; A610-Q612 VanDerWaalsContact C-N 3.34Å; A610-A613 PolarHBondContact O-N 3.13Å; A610-N614 PolarHBondContact O-N 3.19Å; A610-I620 HydrophobicContact CB-CD1 4.16Å; A610-I620 HydrophobicContact CB-CG2 4.15Å
611	F	79.3	Confident	79.4	Confident	46 Å²	46	50.2 Å²	50.2	20%	0.202	28%	0.281	C	S	.	.	H	α-helix	trans	-66.7	-34.4	173.4	-72.9	-52.6	0	0	0	112.7	L607 A608 L609 N614 I620 W621 A624	L607-F611 WeakPolarHBondContact O-CD2 3.34Å; L607-F611 WeakPolarHBondContact O-CG 3.4Å; L607-F611 PolarHBondContact O-N 2.76Å; A608-F611 WeakPolarHBondContact O-CB 3.39Å; A608-F611 PolarHBondContact O-N 2.87Å; L609-F611 PolarHBondContact O-N 3.44Å; F611-N614 CarbonylContact O-C 3.56Å; F611-I620 HydrophobicContact CD1-CG2 4.01Å; F611-I620 HydrophobicContact CE1-CB 4.41Å; F611-I620 HydrophobicContact CE1-CG2 3.71Å; F611-I620 HydrophobicContact CZ-CG2 4.14Å; F611-W621 HydrophobicContact CD1-CD2 4.33Å; F611-W621 AromaticContact CD1-CE2 3.99Å; F611-W621 HydrophobicContact CD1-CH2 4.27Å; F611-W621 AromaticContact CD1-CZ2 3.96Å; F611-W621 HydrophobicContact CD1-CZ2 3.96Å; F611-W621 AromaticContact CE1-CD2 3.43Å; F611-W621 HydrophobicContact CE1-CD2 3.43Å; F611-W621 VanDerWaalsContact CE1-CD2 3.43Å; F611-W621 AromaticContact CE1-CE2 3.54Å; F611-W621 AromaticContact CE1-CE3 3.63Å; F611-W621 HydrophobicContact CE1-CE3 3.63Å; F611-W621 AromaticContact CE1-CG 3.94Å; F611-W621 HydrophobicContact CE1-CG 3.94Å; F611-W621 AromaticContact CE1-CH2 3.98Å; F611-W621 HydrophobicContact CE1-CH2 3.98Å; F611-W621 AromaticContact CE1-CZ2 3.83Å; F611-W621 HydrophobicContact CE1-CZ2 3.83Å; F611-W621 AromaticContact CE1-CZ3 3.9Å; F611-W621 HydrophobicContact CE1-CZ3 3.9Å; F611-W621 AromaticContact CZ-CD2 3.97Å; F611-W621 HydrophobicContact CZ-CD2 3.97Å; F611-W621 AromaticContact CZ-CE3 3.68Å; F611-W621 HydrophobicContact CZ-CE3 3.68Å; F611-W621 HydrophobicContact CZ-CH2 4.29Å; F611-W621 AromaticContact CZ-CZ3 3.86Å; F611-W621 HydrophobicContact CZ-CZ3 3.86Å; F611-A624 HydrophobicContact CE2-CB 4.09Å; F611-A624 HydrophobicContact CZ-CB 3.72Å
612	Q	81.1	Confident	79.3	Confident	161 Å²	161	46.7 Å²	46.7	75%	0.752	26%	0.258	S	S	*	.	H	α-helix	trans	-67.9	-40.5	173.5	-68.2	-179.9	-4.8	0	0	111.2	A608 L609 A610	A608-Q612 PolarHBondContact O-N 3.37Å; L609-Q612 WeakPolarHBondContact O-CB 3.38Å; L609-Q612 PolarHBondContact O-N 3.09Å; A610-Q612 VanDerWaalsContact C-N 3.34Å
613	A	78.7	Confident	79.2	Confident	38 Å²	38	46.8 Å²	46.8	31%	0.314	26%	0.259	S	S	.	.	H	α-helix	trans	-72.3	-38.4	179	0	0	0	0	0	112.7	P581 W587 L609 A610	P581-A613 HydrophobicContact CB-CB 4.33Å; W587-A613 HydrophobicContact CZ2-CB 4.01Å; L609-A613 PolarHBondContact O-N 3.13Å; A610-A613 PolarHBondContact O-N 3.13Å
614	N	78.1	Confident	79.2	Confident	17 Å²	17	47 Å²	47	9%	0.091	26%	0.261	C	S	.	.			trans	-135.7	89.4	-174.4	-57.3	-56.7	0	0	0	111.7	P581 A610 F611 N616 S617 I620	P581-N614 PolarHBondContact O-ND2 2.97Å; P581-N614 PolarHBondContact O-OD1 3.25Å; A610-N614 PolarHBondContact O-N 3.19Å; F611-N614 CarbonylContact O-C 3.56Å; N614-N616 VanDerWaalsContact C-N 3.3Å; N614-N616 PolarHBondContact O-N 3.44Å; N614-S617 WeakPolarHBondContact CB-OG 3Å; N614-I620 HydrophobicContact CB-CD1 3.98Å
615	P	71.9	Confident	79.1	Confident	74 Å²	74	44.4 Å²	44.4	48%	0.481	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-24.6	-178.9	-23.2	35.1	0	0	0	114.6
616	N	68.8	Low	79	Confident	129 Å²	129	44.5 Å²	44.5	69%	0.69	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.7	-0.1	-167.2	-61.6	-10.6	0	0	0	114.3	N614 E618	N614-N616 VanDerWaalsContact C-N 3.3Å; N614-N616 PolarHBondContact O-N 3.44Å; N616-E618 PolarHBondContact O-N 2.92Å
617	S	67.9	Low	79	Confident	9 Å²	9	43 Å²	43	6%	0.063	23%	0.234	C	C	.	.			trans	-86.2	112.9	-167	-58.8	0	0	0	0	113.1	E584 N614 E619 I620 W621	E584-S617 VanDerWaalsContact CD-CB 3.42Å; E584-S617 VanDerWaalsContact OE1-CB 3.28Å; E584-S617 WeakPolarHBondContact OE1-CB 3.45Å; E584-S617 PolarHBondContact OE1-OG 2.84Å; N614-S617 WeakPolarHBondContact CB-OG 3Å; S617-E619 VanDerWaalsContact C-N 3.34Å; S617-E619 PolarHBondContact O-N 3.44Å; S617-I620 PolarHBondContact O-N 3.48Å; S617-W621 PolarHBondContact O-N 3.24Å
618	E	72.9	Confident	79	Confident	66 Å²	66	43.1 Å²	43.1	31%	0.308	24%	0.235	S	C	.	.	H	α-helix	trans	-59.2	-39.7	-179.6	-58.5	177.2	-171.8	0	0	113.4	N616 I620 W621 L622 A648 T650	N616-E618 PolarHBondContact O-N 2.92Å; E618-I620 VanDerWaalsContact C-N 3.31Å; E618-I620 PolarHBondContact O-N 3.45Å; E618-W621 PolarHBondContact O-N 2.63Å; E618-L622 WeakPolarHBondContact O-CG 3.32Å; E618-L622 PolarHBondContact O-N 3.21Å; E618-A648 HydrophobicContact CG-CB 4.29Å; E618-T650 WeakPolarHBondContact OE1-CB 3.27Å; E618-T650 PolarHBondContact OE1-OG1 2.89Å; E618-T650 WeakPolarHBondContact OE2-CG2 3.09Å
619	E	79	Confident	78.8	Confident	69 Å²	69	41.7 Å²	41.7	32%	0.322	22%	0.222	S	C	.	.	H	α-helix	trans	-69.1	-31.9	-173.9	-55.2	-159.4	139.9	0	0	112.5	L588 S617 L622 A623 R652	L588-E619 HydrophobicContact CD1-CB 3.82Å; S617-E619 VanDerWaalsContact C-N 3.34Å; S617-E619 PolarHBondContact O-N 3.44Å; E619-L622 PolarHBondContact O-N 2.86Å; E619-A623 WeakPolarHBondContact O-CB 3.29Å; E619-A623 PolarHBondContact O-N 3.18Å; E619-R652 IonicContact OE1-NH1 3Å
620	I	81.4	Confident	78.5	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-69.5	-44.5	176.9	-56.8	179.7	0	0	0	110	E584 L607 A610 F611 N614 S617 E618 L622 A623 A624	E584-I620 HydrophobicContact CG-CD1 4.41Å; L607-I620 HydrophobicContact CD2-CG2 3.99Å; A610-I620 HydrophobicContact CB-CD1 4.16Å; A610-I620 HydrophobicContact CB-CG2 4.15Å; F611-I620 HydrophobicContact CD1-CG2 4.01Å; F611-I620 HydrophobicContact CE1-CB 4.41Å; F611-I620 HydrophobicContact CE1-CG2 3.71Å; F611-I620 HydrophobicContact CZ-CG2 4.14Å; N614-I620 HydrophobicContact CB-CD1 3.98Å; S617-I620 PolarHBondContact O-N 3.48Å; E618-I620 VanDerWaalsContact C-N 3.31Å; E618-I620 PolarHBondContact O-N 3.45Å; I620-L622 VanDerWaalsContact C-N 3.33Å; I620-L622 PolarHBondContact O-N 2.93Å; I620-A623 PolarHBondContact O-N 3.29Å; I620-A624 WeakPolarHBondContact O-CB 3.49Å; I620-A624 PolarHBondContact O-N 3.06Å
621	W	80.4	Confident	78.4	Confident	14 Å²	14	42.6 Å²	42.6	5%	0.053	23%	0.225	C	C	.	.	H	α-helix	trans	-57.4	-47	173.3	-74.6	109.1	0	0	0	111.4	F611 S617 E618 A623 A624 V625 L640 K643 A644	F611-W621 HydrophobicContact CD1-CD2 4.33Å; F611-W621 AromaticContact CD1-CE2 3.99Å; F611-W621 HydrophobicContact CD1-CH2 4.27Å; F611-W621 AromaticContact CD1-CZ2 3.96Å; F611-W621 HydrophobicContact CD1-CZ2 3.96Å; F611-W621 AromaticContact CE1-CD2 3.43Å; F611-W621 HydrophobicContact CE1-CD2 3.43Å; F611-W621 VanDerWaalsContact CE1-CD2 3.43Å; F611-W621 AromaticContact CE1-CE2 3.54Å; F611-W621 AromaticContact CE1-CE3 3.63Å; F611-W621 HydrophobicContact CE1-CE3 3.63Å; F611-W621 AromaticContact CE1-CG 3.94Å; F611-W621 HydrophobicContact CE1-CG 3.94Å; F611-W621 AromaticContact CE1-CH2 3.98Å; F611-W621 HydrophobicContact CE1-CH2 3.98Å; F611-W621 AromaticContact CE1-CZ2 3.83Å; F611-W621 HydrophobicContact CE1-CZ2 3.83Å; F611-W621 AromaticContact CE1-CZ3 3.9Å; F611-W621 HydrophobicContact CE1-CZ3 3.9Å; F611-W621 AromaticContact CZ-CD2 3.97Å; F611-W621 HydrophobicContact CZ-CD2 3.97Å; F611-W621 AromaticContact CZ-CE3 3.68Å; F611-W621 HydrophobicContact CZ-CE3 3.68Å; F611-W621 HydrophobicContact CZ-CH2 4.29Å; F611-W621 AromaticContact CZ-CZ3 3.86Å; F611-W621 HydrophobicContact CZ-CZ3 3.86Å; S617-W621 PolarHBondContact O-N 3.24Å; E618-W621 PolarHBondContact O-N 2.63Å; W621-A623 VanDerWaalsContact C-N 3.31Å; W621-A623 PolarHBondContact O-N 2.95Å; W621-A624 PolarHBondContact O-N 3.35Å; W621-V625 VanDerWaalsContact O-CG2 3.23Å; W621-V625 WeakPolarHBondContact O-CG2 3.48Å; W621-V625 PolarHBondContact O-N 2.78Å; W621-L640 HydrophobicContact CZ3-CD2 3.84Å; W621-K643 HydrophobicContact CH2-CB 4.34Å; W621-K643 HydrophobicContact CH2-CD 3.84Å; W621-K643 HydrophobicContact CH2-CG 3.87Å; W621-K643 HydrophobicContact CZ3-CB 4.35Å; W621-K643 HydrophobicContact CZ3-CD 4.46Å; W621-K643 HydrophobicContact CZ3-CG 4.38Å; W621-A644 HydrophobicContact CB-CB 4.05Å; W621-A644 HydrophobicContact CD2-CB 3.97Å; W621-A644 HydrophobicContact CE3-CB 4.02Å; W621-A644 HydrophobicContact CG-CB 3.98Å
622	L	81.3	Confident	78.3	Confident	14 Å²	14	45.7 Å²	45.7	7%	0.073	24%	0.244	C	C	.	.	H	α-helix	trans	-65.3	-34.3	178.8	-67.3	-178.6	0	0	0	113	E618 E619 I620 K626 R652 V653 K656	E618-L622 WeakPolarHBondContact O-CG 3.32Å; E618-L622 PolarHBondContact O-N 3.21Å; E619-L622 PolarHBondContact O-N 2.86Å; I620-L622 VanDerWaalsContact C-N 3.33Å; I620-L622 PolarHBondContact O-N 2.93Å; L622-K626 WeakPolarHBondContact O-CB 3.25Å; L622-K626 PolarHBondContact O-N 3.26Å; L622-R652 HydrophobicContact CD1-CB 4.39Å; L622-R652 HydrophobicContact CD1-CG 3.66Å; L622-V653 HydrophobicContact CD2-CG2 4.15Å; L622-K656 HydrophobicContact CD2-CB 3.78Å; L622-K656 HydrophobicContact CD2-CG 3.67Å
623	A	80.2	Confident	78.5	Confident	27 Å²	27	43 Å²	43	22%	0.223	23%	0.231	C	C	.	.	H	α-helix	trans	-72.9	-39	176.4	0	0	0	0	0	112.5	L588 E619 I620 W621 V625 K626 L627	L588-A623 HydrophobicContact CD2-CB 3.18Å; E619-A623 WeakPolarHBondContact O-CB 3.29Å; E619-A623 PolarHBondContact O-N 3.18Å; I620-A623 PolarHBondContact O-N 3.29Å; W621-A623 VanDerWaalsContact C-N 3.31Å; W621-A623 PolarHBondContact O-N 2.95Å; A623-V625 VanDerWaalsContact C-N 3.34Å; A623-K626 WeakPolarHBondContact O-CB 3.49Å; A623-K626 PolarHBondContact O-N 2.92Å; A623-L627 WeakPolarHBondContact O-CB 3.45Å; A623-L627 PolarHBondContact O-N 3.38Å
624	A	79.9	Confident	78.6	Confident	5 Å²	5	43 Å²	43	4%	0.041	22%	0.224	C	C	.	.	H	α-helix	trans	-61.3	-44.7	172.1	0	0	0	0	0	111.1	L607 F611 I620 W621 K626 L627 E628	L607-A624 HydrophobicContact CD1-CB 4.25Å; F611-A624 HydrophobicContact CE2-CB 4.09Å; F611-A624 HydrophobicContact CZ-CB 3.72Å; I620-A624 WeakPolarHBondContact O-CB 3.49Å; I620-A624 PolarHBondContact O-N 3.06Å; W621-A624 PolarHBondContact O-N 3.35Å; A624-K626 VanDerWaalsContact C-N 3.32Å; A624-K626 PolarHBondContact O-N 2.84Å; A624-L627 PolarHBondContact O-N 2.83Å; A624-E628 WeakPolarHBondContact O-CG 3.32Å; A624-E628 PolarHBondContact O-N 3.34Å
625	V	82.8	Confident	78.8	Confident	6 Å²	6	48.4 Å²	48.4	4%	0.036	25%	0.248	C	C	.	.	H	α-helix	trans	-63.2	-39.9	175.4	173.2	0	0	0	0	111.3	W621 A623 E628 S629 L640 L641 L660	W621-V625 VanDerWaalsContact O-CG2 3.23Å; W621-V625 WeakPolarHBondContact O-CG2 3.48Å; W621-V625 PolarHBondContact O-N 2.78Å; A623-V625 VanDerWaalsContact C-N 3.34Å; V625-E628 PolarHBondContact O-N 3.2Å; V625-S629 WeakPolarHBondContact O-CB 3.49Å; V625-S629 PolarHBondContact O-N 2.9Å; V625-S629 PolarHBondContact O-OG 2.93Å; V625-L640 HydrophobicContact CG2-CB 4.34Å; V625-L641 HydrophobicContact CB-CD2 4.39Å; V625-L641 HydrophobicContact CB-CG 4.4Å; V625-L641 HydrophobicContact CG1-CD1 3.86Å; V625-L641 HydrophobicContact CG1-CD2 4.03Å; V625-L641 HydrophobicContact CG1-CG 3.89Å; V625-L641 HydrophobicContact CG2-CD1 4.45Å; V625-L641 HydrophobicContact CG2-CD2 3.69Å; V625-L641 HydrophobicContact CG2-CG 3.59Å; V625-L660 HydrophobicContact CG1-CD1 4.37Å
626	K	82.7	Confident	79.2	Confident	79 Å²	79	51.4 Å²	51.4	34%	0.343	25%	0.25	S	C	.	.	H	α-helix	trans	-59.1	-51.1	175.1	-176	-176	168.6	178.4	0	110.8	L622 A623 A624 E628 S629 E630	L622-K626 WeakPolarHBondContact O-CB 3.25Å; L622-K626 PolarHBondContact O-N 3.26Å; A623-K626 WeakPolarHBondContact O-CB 3.49Å; A623-K626 PolarHBondContact O-N 2.92Å; A624-K626 VanDerWaalsContact C-N 3.32Å; A624-K626 PolarHBondContact O-N 2.84Å; K626-E628 PolarHBondContact O-N 3.35Å; K626-S629 WeakPolarHBondContact CA-OG 3.3Å; K626-S629 PolarHBondContact O-N 3.14Å; K626-S629 PolarHBondContact O-OG 2.92Å; K626-E630 WeakPolarHBondContact CE-OE1 3.38Å; K626-E630 IonicContact NZ-OE1 3.57Å; K626-E630 WeakPolarHBondContact O-CG 3.43Å; K626-E630 PolarHBondContact O-N 3.14Å
627	L	81.6	Confident	79.8	Confident	10 Å²	10	45.2 Å²	45.2	5%	0.052	22%	0.217	C	C	.	.	H	α-helix	trans	-60.1	-44.7	-179.5	-176.2	149.8	0	0	0	111.8	W595 V600 A603 R604 L607 A623 A624 E630 N631	W595-L627 HydrophobicContact CB-CD1 4.45Å; V600-L627 HydrophobicContact CG1-CD2 3.88Å; A603-L627 HydrophobicContact CB-CD1 3.67Å; R604-L627 HydrophobicContact CG-CD2 3.74Å; L607-L627 HydrophobicContact CD1-CD1 4.05Å; A623-L627 WeakPolarHBondContact O-CB 3.45Å; A623-L627 PolarHBondContact O-N 3.38Å; A624-L627 PolarHBondContact O-N 2.83Å; L627-E630 PolarHBondContact O-N 3.35Å; L627-N631 PolarHBondContact O-N 3.43Å; L627-N631 PolarHBondContact O-ND2 2.9Å
628	E	81.5	Confident	80.5	Confident	8 Å²	8	48.9 Å²	48.9	4%	0.037	23%	0.229	C	C	.	.	H	α-helix	trans	-70	-35	177.9	-62.6	-60	171.1	0	0	112.1	R604 A624 V625 K626 E630 N631 N632 E633 R636 A637 L640	R604-E628 WeakPolarHBondContact CD-OE1 3.39Å; R604-E628 IonicContact CZ-OE1 3.84Å; R604-E628 IonicContact CZ-OE2 2.85Å; R604-E628 IonicContact NE-OE1 3.56Å; R604-E628 PolarHBondContact NE-OE1 3.31Å; R604-E628 IonicContact NE-OE2 3.73Å; R604-E628 PolarHBondContact NE-OE2 3.42Å; R604-E628 IonicContact NH2-OE1 2.7Å; R604-E628 IonicContact NH2-OE2 3.38Å; R604-E628 PolarHBondContact NH2-OE2 3.37Å; A624-E628 WeakPolarHBondContact O-CG 3.32Å; A624-E628 PolarHBondContact O-N 3.34Å; V625-E628 PolarHBondContact O-N 3.2Å; K626-E628 PolarHBondContact O-N 3.35Å; E628-E630 VanDerWaalsContact C-N 3.31Å; E628-E630 PolarHBondContact O-N 3.12Å; E628-N631 PolarHBondContact O-N 3.01Å; E628-N632 PolarHBondContact O-N 2.94Å; E628-E633 PolarHBondContact O-N 3.37Å; E628-R636 IonicContact OE1-NE 3.99Å; E628-A637 HydrophobicContact CB-CB 3.91Å; E628-L640 HydrophobicContact CG-CD1 3.92Å
629	S	79.5	Confident	81.1	Confident	18 Å²	18	54.5 Å²	54.5	13%	0.126	25%	0.248	C	C	.	.	H	α-helix	trans	-68.4	-27	177.4	71.7	0	0	0	0	114	V625 K626 Y634 Q899	V625-S629 WeakPolarHBondContact O-CB 3.49Å; V625-S629 PolarHBondContact O-N 2.9Å; V625-S629 PolarHBondContact O-OG 2.93Å; K626-S629 WeakPolarHBondContact CA-OG 3.3Å; K626-S629 PolarHBondContact O-N 3.14Å; K626-S629 PolarHBondContact O-OG 2.92Å; S629-Y634 WeakPolarHBondContact O-CE1 3.34Å; S629-Y634 PolarHBondContact O-OH 2.94Å; S629-Q899 PolarHBondContact O-NE2 3.39Å
630	E	77.6	Confident	81.3	Confident	54 Å²	54	52.9 Å²	52.9	25%	0.252	24%	0.241	S	C	.	.	H	α-helix	trans	-84.1	-18	177.6	-72.3	165.3	150.9	0	0	112.3	W595 K626 L627 E628	W595-E630 VanDerWaalsContact CH2-OE1 3.22Å; W595-E630 WeakPolarHBondContact CH2-OE1 3.48Å; W595-E630 WeakPolarHBondContact CH2-OE2 3.22Å; W595-E630 HydrophobicContact CZ2-CB 4.15Å; W595-E630 HydrophobicContact CZ2-CG 4.23Å; W595-E630 WeakPolarHBondContact CZ2-OE2 3.42Å; K626-E630 WeakPolarHBondContact CE-OE1 3.38Å; K626-E630 IonicContact NZ-OE1 3.57Å; K626-E630 WeakPolarHBondContact O-CG 3.43Å; K626-E630 PolarHBondContact O-N 3.14Å; L627-E630 PolarHBondContact O-N 3.35Å; E628-E630 VanDerWaalsContact C-N 3.31Å; E628-E630 PolarHBondContact O-N 3.12Å
631	N	80.3	Confident	81.2	Confident	51 Å²	51	53.2 Å²	53.2	27%	0.273	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	12.9	177.8	-66.7	-52	0	0	0	113.4	V600 L627 E628 E633	V600-N631 WeakPolarHBondContact CG1-ND2 3.36Å; L627-N631 PolarHBondContact O-N 3.43Å; L627-N631 PolarHBondContact O-ND2 2.9Å; E628-N631 PolarHBondContact O-N 3.01Å; N631-E633 PolarHBondContact O-N 2.9Å
632	N	77.4	Confident	81.4	Confident	110 Å²	110	55.3 Å²	55.3	59%	0.588	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	12.5	-179.1	-60.6	-45	0	0	0	116.4	E628 Y634	E628-N632 PolarHBondContact O-N 2.94Å; N632-Y634 VanDerWaalsContact C-N 3.28Å; N632-Y634 VanDerWaalsContact CA-CE2 3.49Å; N632-Y634 HydrophobicContact CB-CE2 3.88Å; N632-Y634 WeakPolarHBondContact O-CD2 3.5Å; N632-Y634 PolarHBondContact O-N 3.35Å; N632-Y634 VanDerWaalsContact O-N 3.1Å; N632-Y634 PolarHBondContact OD1-OH 3.36Å
633	E	83.6	Confident	81.4	Confident	105 Å²	105	60.7 Å²	60.7	49%	0.491	29%	0.286	S	S	.	.			trans	-89.7	61.2	178.1	-70.7	-66.9	172.5	0	0	111.3	E628 N631 E635 R636 A637	E628-E633 PolarHBondContact O-N 3.37Å; N631-E633 PolarHBondContact O-N 2.9Å; E633-E635 VanDerWaalsContact C-N 3.35Å; E633-E635 PolarHBondContact O-N 3.17Å; E633-R636 PolarHBondContact O-N 3.39Å; E633-A637 PolarHBondContact O-N 3.31Å; E633-A637 VanDerWaalsContact O-N 3.16Å
634	Y	81.3	Confident	81.4	Confident	39 Å²	39	59.4 Å²	59.4	15%	0.153	28%	0.275	C	S	.	.	H	α-helix	trans	-67	-31.2	-170.1	-60.5	-70.5	0	0	0	114.1	S629 N632 A637 R638 L664 Q899	S629-Y634 WeakPolarHBondContact O-CE1 3.34Å; S629-Y634 PolarHBondContact O-OH 2.94Å; N632-Y634 VanDerWaalsContact C-N 3.28Å; N632-Y634 VanDerWaalsContact CA-CE2 3.49Å; N632-Y634 HydrophobicContact CB-CE2 3.88Å; N632-Y634 WeakPolarHBondContact O-CD2 3.5Å; N632-Y634 PolarHBondContact O-N 3.35Å; N632-Y634 VanDerWaalsContact O-N 3.1Å; N632-Y634 PolarHBondContact OD1-OH 3.36Å; Y634-A637 WeakPolarHBondContact O-CB 3.35Å; Y634-A637 PolarHBondContact O-N 3.05Å; Y634-R638 WeakPolarHBondContact O-CG 3.23Å; Y634-R638 PolarHBondContact O-N 3.29Å; Y634-L664 HydrophobicContact CD1-CD1 4.34Å; Y634-L664 HydrophobicContact CD1-CD2 3.91Å; Y634-L664 HydrophobicContact CD1-CG 4.4Å; Y634-L664 HydrophobicContact CD2-CD2 3.69Å; Y634-L664 HydrophobicContact CE1-CD2 4.21Å; Y634-L664 HydrophobicContact CE2-CD2 4.01Å; Y634-L664 HydrophobicContact CG-CD1 4.17Å; Y634-L664 HydrophobicContact CG-CD2 3.65Å; Y634-L664 HydrophobicContact CG-CG 4.4Å; Y634-Q899 PolarHBondContact OH-NE2 3.03Å; Y634-Q899 PolarHBondContact OH-OE1 3.3Å
635	E	82.7	Confident	81.3	Confident	129 Å²	129	62.7 Å²	62.7	60%	0.603	29%	0.287	S	S	*	.	H	α-helix	trans	-66.6	-39.9	178.5	-63.6	-172.8	175.5	0	0	112.1	E633 R638 R639	E633-E635 VanDerWaalsContact C-N 3.35Å; E633-E635 PolarHBondContact O-N 3.17Å; E635-R638 WeakPolarHBondContact O-CB 3.31Å; E635-R638 PolarHBondContact O-N 3.45Å; E635-R639 WeakPolarHBondContact O-CG 3.39Å; E635-R639 PolarHBondContact O-N 3.35Å; E635-R639 VanDerWaalsContact O-N 3.08Å
636	R	80.9	Confident	81.2	Confident	137 Å²	137	67 Å²	67	52%	0.517	32%	0.317	S	S	.	.	H	α-helix	trans	-67.3	-41	174.3	-168.3	176.4	-174	162.7	1.2	110.5	E628 E633 R638 R639 L640	E628-R636 IonicContact OE1-NE 3.99Å; E633-R636 PolarHBondContact O-N 3.39Å; R636-R638 VanDerWaalsContact C-N 3.33Å; R636-R638 PolarHBondContact O-N 3.39Å; R636-R639 PolarHBondContact O-N 3.28Å; R636-L640 HydrophobicContact CG-CD1 4.3Å; R636-L640 WeakPolarHBondContact O-CB 3.26Å; R636-L640 WeakPolarHBondContact O-CG 3.49Å; R636-L640 PolarHBondContact O-N 2.63Å
637	A	81.6	Confident	80.9	Confident	0 Å²	0	66 Å²	66	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-60.3	-39.9	174	0	0	0	0	0	112.3	E628 E633 Y634 L640 L641 L660	E628-A637 HydrophobicContact CB-CB 3.91Å; E633-A637 PolarHBondContact O-N 3.31Å; E633-A637 VanDerWaalsContact O-N 3.16Å; Y634-A637 WeakPolarHBondContact O-CB 3.35Å; Y634-A637 PolarHBondContact O-N 3.05Å; A637-L640 PolarHBondContact O-N 2.7Å; A637-L641 WeakPolarHBondContact O-CB 3.48Å; A637-L641 WeakPolarHBondContact O-CG 3.17Å; A637-L641 PolarHBondContact O-N 2.95Å; A637-L660 HydrophobicContact CB-CD1 3.58Å
638	R	82.7	Confident	80.1	Confident	85 Å²	85	66.1 Å²	66.1	32%	0.321	32%	0.322	S	S	.	.	H	α-helix	trans	-60.7	-47.7	172.9	-76.8	174.1	172.9	155.9	0.9	112.3	Y634 E635 R636 L640 L641 A642 L660 E661 N666	Y634-R638 WeakPolarHBondContact O-CG 3.23Å; Y634-R638 PolarHBondContact O-N 3.29Å; E635-R638 WeakPolarHBondContact O-CB 3.31Å; E635-R638 PolarHBondContact O-N 3.45Å; R636-R638 VanDerWaalsContact C-N 3.33Å; R636-R638 PolarHBondContact O-N 3.39Å; R638-L640 VanDerWaalsContact C-N 3.34Å; R638-L640 PolarHBondContact O-N 3.45Å; R638-L641 PolarHBondContact O-N 2.84Å; R638-A642 WeakPolarHBondContact O-CB 3.32Å; R638-A642 PolarHBondContact O-N 2.88Å; R638-L660 HydrophobicContact CG-CD2 3.68Å; R638-E661 IonicContact CZ-OE1 2.74Å; R638-E661 IonicContact CZ-OE2 3.73Å; R638-E661 IonicContact NE-OE1 2.94Å; R638-E661 PolarHBondContact NE-OE1 2.87Å; R638-E661 IonicContact NE-OE2 2.82Å; R638-E661 IonicContact NH2-OE1 3.5Å; R638-E661 IonicContact NH2-OE2 3.08Å; R638-E661 PolarHBondContact NH2-OE2 2.82Å; R638-N666 PolarHBondContact NH2-ND2 2.86Å
639	R	84.6	Confident	79.5	Confident	185 Å²	185	68.7 Å²	68.7	70%	0.698	34%	0.339	S	S	*	.	H	α-helix	trans	-63	-41	177.8	-68.1	-179.9	-168.5	164.4	7.7	111.7	E635 R636 A642 K643	E635-R639 WeakPolarHBondContact O-CG 3.39Å; E635-R639 PolarHBondContact O-N 3.35Å; E635-R639 VanDerWaalsContact O-N 3.08Å; R636-R639 PolarHBondContact O-N 3.28Å; R639-A642 PolarHBondContact O-N 3.31Å; R639-K643 PolarHBondContact O-N 3.46Å
640	L	82.3	Confident	79.5	Confident	34 Å²	34	69.6 Å²	69.6	18%	0.178	34%	0.344	C	S	.	.	H	α-helix	trans	-63.7	-41.2	174.8	-73.3	168.7	0	0	0	111.6	W621 V625 E628 R636 A637 R638 K643 A644	W621-L640 HydrophobicContact CZ3-CD2 3.84Å; V625-L640 HydrophobicContact CG2-CB 4.34Å; E628-L640 HydrophobicContact CG-CD1 3.92Å; R636-L640 HydrophobicContact CG-CD1 4.3Å; R636-L640 WeakPolarHBondContact O-CB 3.26Å; R636-L640 WeakPolarHBondContact O-CG 3.49Å; R636-L640 PolarHBondContact O-N 2.63Å; A637-L640 PolarHBondContact O-N 2.7Å; R638-L640 VanDerWaalsContact C-N 3.34Å; R638-L640 PolarHBondContact O-N 3.45Å; L640-K643 PolarHBondContact O-N 2.97Å; L640-A644 WeakPolarHBondContact O-CB 3.34Å; L640-A644 PolarHBondContact O-N 3.5Å
641	L	81	Confident	79.4	Confident	7 Å²	7	67.4 Å²	67.4	4%	0.037	34%	0.335	C	S	.	.	H	α-helix	trans	-67.3	-38.5	175	-79.8	167	0	0	0	113	V625 A637 R638 K643 A644 R645 V653 L660	V625-L641 HydrophobicContact CB-CD2 4.39Å; V625-L641 HydrophobicContact CB-CG 4.4Å; V625-L641 HydrophobicContact CG1-CD1 3.86Å; V625-L641 HydrophobicContact CG1-CD2 4.03Å; V625-L641 HydrophobicContact CG1-CG 3.89Å; V625-L641 HydrophobicContact CG2-CD1 4.45Å; V625-L641 HydrophobicContact CG2-CD2 3.69Å; V625-L641 HydrophobicContact CG2-CG 3.59Å; A637-L641 WeakPolarHBondContact O-CB 3.48Å; A637-L641 WeakPolarHBondContact O-CG 3.17Å; A637-L641 PolarHBondContact O-N 2.95Å; R638-L641 PolarHBondContact O-N 2.84Å; L641-K643 VanDerWaalsContact C-N 3.29Å; L641-K643 PolarHBondContact O-N 3.17Å; L641-A644 PolarHBondContact O-N 2.8Å; L641-R645 WeakPolarHBondContact O-CB 3.4Å; L641-R645 WeakPolarHBondContact O-CG 3.4Å; L641-R645 PolarHBondContact O-N 3.34Å; L641-V653 HydrophobicContact CD2-CG1 4.22Å; L641-L660 HydrophobicContact CD1-CB 4.11Å; L641-L660 HydrophobicContact CD1-CD1 3.81Å; L641-L660 HydrophobicContact CD1-CG 4.43Å
642	A	83.1	Confident	79.5	Confident	58 Å²	58	70.5 Å²	70.5	48%	0.479	34%	0.343	S	S	.	.	H	α-helix	trans	-62.9	-39.1	174.3	0	0	0	0	0	111.3	R638 R639 R645 S646	R638-A642 WeakPolarHBondContact O-CB 3.32Å; R638-A642 PolarHBondContact O-N 2.88Å; R639-A642 PolarHBondContact O-N 3.31Å; A642-R645 PolarHBondContact O-N 3.33Å; A642-S646 PolarHBondContact O-N 3.04Å; A642-S646 PolarHBondContact O-OG 3.26Å
643	K	82.4	Confident	79.8	Confident	127 Å²	127	65.3 Å²	65.3	55%	0.552	32%	0.316	S	S	*	.	H	α-helix	trans	-68.2	-38.6	172.1	-167.6	167.8	179.9	177.9	0	112.2	W621 R639 L640 L641 S646 S647	W621-K643 HydrophobicContact CH2-CB 4.34Å; W621-K643 HydrophobicContact CH2-CD 3.84Å; W621-K643 HydrophobicContact CH2-CG 3.87Å; W621-K643 HydrophobicContact CZ3-CB 4.35Å; W621-K643 HydrophobicContact CZ3-CD 4.46Å; W621-K643 HydrophobicContact CZ3-CG 4.38Å; R639-K643 PolarHBondContact O-N 3.46Å; L640-K643 PolarHBondContact O-N 2.97Å; L641-K643 VanDerWaalsContact C-N 3.29Å; L641-K643 PolarHBondContact O-N 3.17Å; K643-S646 PolarHBondContact O-N 3.22Å; K643-S646 PolarHBondContact O-OG 2.93Å; K643-S647 VanDerWaalsContact O-CB 3.25Å; K643-S647 WeakPolarHBondContact O-CB 3.43Å; K643-S647 PolarHBondContact O-N 3.26Å
644	A	80.2	Confident	79.7	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65.3	-39.3	175.1	0	0	0	0	0	111.9	W621 L640 L641 S646 S647 A648 V653	W621-A644 HydrophobicContact CB-CB 4.05Å; W621-A644 HydrophobicContact CD2-CB 3.97Å; W621-A644 HydrophobicContact CE3-CB 4.02Å; W621-A644 HydrophobicContact CG-CB 3.98Å; L640-A644 WeakPolarHBondContact O-CB 3.34Å; L640-A644 PolarHBondContact O-N 3.5Å; L641-A644 PolarHBondContact O-N 2.8Å; A644-S646 VanDerWaalsContact C-N 3.27Å; A644-S646 PolarHBondContact O-N 3.5Å; A644-S647 PolarHBondContact O-N 3.33Å; A644-A648 CarbonylContact O-C 3.21Å; A644-A648 PolarHBondContact O-N 2.98Å; A644-A648 VanDerWaalsContact O-O 3.13Å; A644-V653 HydrophobicContact CB-CG1 3.7Å
645	R	78.5	Confident	79.9	Confident	75 Å²	75	59.7 Å²	59.7	28%	0.283	29%	0.291	S	S	.	.	H	α-helix	trans	-60.7	-33.6	175.5	-77.4	176.3	64.7	178.5	6.6	113	L641 A642 P649 F654 E676	L641-R645 WeakPolarHBondContact O-CB 3.4Å; L641-R645 WeakPolarHBondContact O-CG 3.4Å; L641-R645 PolarHBondContact O-N 3.34Å; A642-R645 PolarHBondContact O-N 3.33Å; R645-P649 WeakPolarHBondContact O-CB 3.42Å; R645-F654 HydrophobicContact CG-CE1 4.23Å; R645-F654 HydrophobicContact CG-CZ 4.21Å; R645-E676 IonicContact CZ-OE2 3.73Å; R645-E676 IonicContact NH1-OE2 2.82Å; R645-E676 IonicContact NH2-OE2 3.81Å; R645-E676 PolarHBondContact NH2-OE2 3.22Å
646	S	80.7	Confident	79.9	Confident	96 Å²	96	55.9 Å²	55.9	67%	0.671	27%	0.272	S	S	*	.	H	α-helix	trans	-86.6	-35.6	178.3	46.4	0	0	0	0	112.8	A642 K643 A644	A642-S646 PolarHBondContact O-N 3.04Å; A642-S646 PolarHBondContact O-OG 3.26Å; K643-S646 PolarHBondContact O-N 3.22Å; K643-S646 PolarHBondContact O-OG 2.93Å; A644-S646 VanDerWaalsContact C-N 3.27Å; A644-S646 PolarHBondContact O-N 3.5Å
647	S	74.6	Confident	79.9	Confident	58 Å²	58	49.7 Å²	49.7	41%	0.406	25%	0.25	S	C	.	.	H	α-helix	trans	-81.9	-40.6	-176.5	-166.1	0	0	0	0	113.6	K643 A644	K643-S647 VanDerWaalsContact O-CB 3.25Å; K643-S647 WeakPolarHBondContact O-CB 3.43Å; K643-S647 PolarHBondContact O-N 3.26Å; A644-S647 PolarHBondContact O-N 3.33Å
648	A	66.3	Low	80.1	Confident	12 Å²	12	49.7 Å²	49.7	10%	0.099	25%	0.25	C	S	.	.			trans	-147	76.6	-178.5	0	0	0	0	0	109.6	E618 A644 T650	E618-A648 HydrophobicContact CG-CB 4.29Å; A644-A648 CarbonylContact O-C 3.21Å; A644-A648 PolarHBondContact O-N 2.98Å; A644-A648 VanDerWaalsContact O-O 3.13Å; A648-T650 PolarHBondContact O-N 2.85Å
649	P	68.5	Low	80.1	Confident	62 Å²	62	46.7 Å²	46.7	40%	0.403	24%	0.239	S	C	.	.			trans	-67.7	104.1	175.3	27.2	-31.1	0	0	0	108.8	R645 F654 Y681	R645-P649 WeakPolarHBondContact O-CB 3.42Å; P649-F654 HydrophobicContact CB-CE2 4.06Å; P649-Y681 PolarHBondContact O-OH 3.06Å
650	T	78.8	Confident	80	Confident	37 Å²	37	38.3 Å²	38.3	23%	0.227	21%	0.209	C	C	.	.			trans	-128.7	145.4	170.4	-55.2	0	0	0	0	108.7	E618 A648 R652 V653 F654	E618-T650 WeakPolarHBondContact OE1-CB 3.27Å; E618-T650 PolarHBondContact OE1-OG1 2.89Å; E618-T650 WeakPolarHBondContact OE2-CG2 3.09Å; A648-T650 PolarHBondContact O-N 2.85Å; T650-R652 PolarHBondContact O-N 3.48Å; T650-V653 WeakPolarHBondContact O-CA 3.09Å; T650-V653 WeakPolarHBondContact O-CB 3.32Å; T650-V653 PolarHBondContact O-N 3Å; T650-F654 PolarHBondContact O-N 3.42Å
651	A	76.9	Confident	80	Confident	8 Å²	8	37.7 Å²	37.7	7%	0.066	21%	0.205	C	C	.	.	H	α-helix	trans	-51	-30.1	-179	0	0	0	0	0	113	M655 Y681 F684 L687	A651-M655 VanDerWaalsContact O-CB 3.26Å; A651-M655 WeakPolarHBondContact O-CB 3.42Å; A651-M655 PolarHBondContact O-N 3.1Å; A651-Y681 HydrophobicContact CB-CD1 4.04Å; A651-Y681 HydrophobicContact CB-CD2 4.21Å; A651-Y681 HydrophobicContact CB-CG 3.77Å; A651-F684 HydrophobicContact CB-CB 3.92Å; A651-F684 HydrophobicContact CB-CD1 4.01Å; A651-F684 HydrophobicContact CB-CD2 4.04Å; A651-F684 HydrophobicContact CB-CE1 4.41Å; A651-F684 HydrophobicContact CB-CG 3.74Å; A651-L687 WeakPolarHBondContact O-CD1 3.38Å
652	R	80.6	Confident	80.1	Confident	117 Å²	117	37.9 Å²	37.9	44%	0.442	21%	0.205	S	C	.	.	H	α-helix	trans	-71	-32.8	176.5	-164.3	179.7	175.1	-175.9	-4.3	113.7	E619 L622 T650 M655 K656	E619-R652 IonicContact OE1-NH1 3Å; L622-R652 HydrophobicContact CD1-CB 4.39Å; L622-R652 HydrophobicContact CD1-CG 3.66Å; T650-R652 PolarHBondContact O-N 3.48Å; R652-M655 WeakPolarHBondContact O-CB 3.47Å; R652-K656 WeakPolarHBondContact O-CG 3.3Å; R652-K656 PolarHBondContact O-N 3.32Å
653	V	84.2	Confident	80	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-69.7	-46.4	173.2	177.5	0	0	0	0	109.6	L622 L641 A644 T650 M655 K656 S657	L622-V653 HydrophobicContact CD2-CG2 4.15Å; L641-V653 HydrophobicContact CD2-CG1 4.22Å; A644-V653 HydrophobicContact CB-CG1 3.7Å; T650-V653 WeakPolarHBondContact O-CA 3.09Å; T650-V653 WeakPolarHBondContact O-CB 3.32Å; T650-V653 PolarHBondContact O-N 3Å; V653-M655 VanDerWaalsContact C-N 3.34Å; V653-M655 PolarHBondContact O-N 3.22Å; V653-K656 PolarHBondContact O-N 3.07Å; V653-S657 PolarHBondContact O-N 3.3Å
654	F	81.8	Confident	79.9	Confident	8 Å²	8	33.4 Å²	33.4	4%	0.035	18%	0.18	C	C	.	.	H	α-helix	trans	-60.9	-41.4	174.3	-82	-83.6	0	0	0	112.8	R645 P649 T650 K656 S657 V658 A677 Y681	R645-F654 HydrophobicContact CG-CE1 4.23Å; R645-F654 HydrophobicContact CG-CZ 4.21Å; P649-F654 HydrophobicContact CB-CE2 4.06Å; T650-F654 PolarHBondContact O-N 3.42Å; F654-K656 PolarHBondContact O-N 3.19Å; F654-S657 WeakPolarHBondContact CA-OG 2.72Å; F654-S657 PolarHBondContact O-N 3.45Å; F654-S657 PolarHBondContact O-OG 3.38Å; F654-V658 WeakPolarHBondContact O-CB 3.27Å; F654-V658 VanDerWaalsContact O-CG2 3.3Å; F654-V658 WeakPolarHBondContact O-CG2 3.45Å; F654-V658 PolarHBondContact O-N 3.34Å; F654-A677 HydrophobicContact CB-CB 3.63Å; F654-A677 HydrophobicContact CD1-CB 3.56Å; F654-A677 HydrophobicContact CE1-CB 4.39Å; F654-A677 HydrophobicContact CG-CB 3.78Å; F654-Y681 HydrophobicContact CD2-CD2 4.31Å; F654-Y681 AromaticContact CD2-CE2 3.97Å; F654-Y681 HydrophobicContact CD2-CE2 3.97Å; F654-Y681 AromaticContact CE2-CE2 3.95Å; F654-Y681 HydrophobicContact CE2-CE2 3.95Å
655	M	85.2	Confident	79.7	Confident	18 Å²	18	35.8 Å²	35.8	9%	0.089	20%	0.204	C	C	.	.	H	α-helix	trans	-54.7	-40.7	172.7	177.3	-163.9	162.5	0	0	111.5	A651 R652 V653 K659 F684 K686 L687 M690	A651-M655 VanDerWaalsContact O-CB 3.26Å; A651-M655 WeakPolarHBondContact O-CB 3.42Å; A651-M655 PolarHBondContact O-N 3.1Å; R652-M655 WeakPolarHBondContact O-CB 3.47Å; V653-M655 VanDerWaalsContact C-N 3.34Å; V653-M655 PolarHBondContact O-N 3.22Å; M655-K659 HydrophobicContact CE-CD 4.28Å; M655-K659 WeakPolarHBondContact O-CB 3.46Å; M655-K659 WeakPolarHBondContact O-CG 3.44Å; M655-K659 PolarHBondContact O-N 3.34Å; M655-F684 HydrophobicContact SD-CE1 4.4Å; M655-K686 HydrophobicContact CE-CD 3.79Å; M655-K686 HydrophobicContact CE-CG 4.03Å; M655-K686 HydrophobicContact SD-CD 4.08Å; M655-K686 HydrophobicContact SD-CG 4.11Å; M655-L687 HydrophobicContact CB-CD1 3.79Å; M655-M690 HydrophobicContact CB-CE 4.48Å; M655-M690 HydrophobicContact CB-SD 4.45Å; M655-M690 HydrophobicContact CE-CE 3.35Å; M655-M690 HydrophobicContact CG-CE 3.2Å; M655-M690 HydrophobicContact CG-SD 3.66Å; M655-M690 HydrophobicContact SD-CE 4.03Å
656	K	82.6	Confident	79.9	Confident	48 Å²	48	35.7 Å²	35.7	21%	0.209	21%	0.21	C	C	.	.	H	α-helix	trans	-77.8	-33	-179	-76.6	-80	-171.1	173.2	0	112.5	L622 R652 V653 F654 K659 L660	L622-K656 HydrophobicContact CD2-CB 3.78Å; L622-K656 HydrophobicContact CD2-CG 3.67Å; R652-K656 WeakPolarHBondContact O-CG 3.3Å; R652-K656 PolarHBondContact O-N 3.32Å; V653-K656 PolarHBondContact O-N 3.07Å; F654-K656 PolarHBondContact O-N 3.19Å; K656-K659 HydrophobicContact CD-CD 4.45Å; K656-K659 PolarHBondContact O-N 3.48Å; K656-L660 PolarHBondContact O-N 3.12Å
657	S	81.8	Confident	79.6	Confident	7 Å²	7	33.5 Å²	33.5	5%	0.049	19%	0.19	C	C	.	.	H	α-helix	trans	-66.9	-42.6	171.7	60.6	0	0	0	0	112.4	V653 F654 K659 L660 E661	V653-S657 PolarHBondContact O-N 3.3Å; F654-S657 WeakPolarHBondContact CA-OG 2.72Å; F654-S657 PolarHBondContact O-N 3.45Å; F654-S657 PolarHBondContact O-OG 3.38Å; S657-K659 VanDerWaalsContact C-N 3.32Å; S657-K659 PolarHBondContact O-N 2.74Å; S657-L660 PolarHBondContact O-N 3.29Å; S657-E661 PolarHBondContact O-N 2.7Å; S657-E661 VanDerWaalsContact O-N 3.17Å
658	V	85.3	Confident	80	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-56.7	-49.1	171.8	165.6	0	0	0	0	110.1	F654 L660 E661 W662 L673 C674 M690 I694	F654-V658 WeakPolarHBondContact O-CB 3.27Å; F654-V658 VanDerWaalsContact O-CG2 3.3Å; F654-V658 WeakPolarHBondContact O-CG2 3.45Å; F654-V658 PolarHBondContact O-N 3.34Å; V658-L660 VanDerWaalsContact C-N 3.29Å; V658-L660 PolarHBondContact O-N 2.99Å; V658-E661 PolarHBondContact O-N 3.5Å; V658-W662 VanDerWaalsContact O-CB 3.24Å; V658-W662 WeakPolarHBondContact O-CB 3.47Å; V658-W662 PolarHBondContact O-N 2.84Å; V658-L673 HydrophobicContact CG2-CB 4.08Å; V658-C674 WeakPolarHBondContact CG1-SG 3.25Å; V658-C674 HydrophobicContact CG2-CB 4.37Å; V658-C674 VanDerWaalsContact CG2-SG 3.53Å; V658-M690 HydrophobicContact CB-SD 4.37Å; V658-M690 HydrophobicContact CG1-CB 4.16Å; V658-M690 HydrophobicContact CG1-SD 3.92Å; V658-I694 HydrophobicContact CG1-CD1 3.84Å
659	K	82.3	Confident	80.7	Confident	21 Å²	21	34.9 Å²	34.9	9%	0.091	21%	0.205	C	C	.	.	H	α-helix	trans	-58.8	-38.3	177.3	-81.7	-175.7	163.7	-140.1	0	113.4	M655 K656 S657 W662 V663 M690	M655-K659 HydrophobicContact CE-CD 4.28Å; M655-K659 WeakPolarHBondContact O-CB 3.46Å; M655-K659 WeakPolarHBondContact O-CG 3.44Å; M655-K659 PolarHBondContact O-N 3.34Å; K656-K659 HydrophobicContact CD-CD 4.45Å; K656-K659 PolarHBondContact O-N 3.48Å; S657-K659 VanDerWaalsContact C-N 3.32Å; S657-K659 PolarHBondContact O-N 2.74Å; K659-W662 PolarHBondContact O-N 3.48Å; K659-V663 VanDerWaalsContact O-CG2 3.27Å; K659-V663 WeakPolarHBondContact O-CG2 3.23Å; K659-V663 PolarHBondContact O-N 3.33Å; K659-M690 HydrophobicContact CD-CE 3.73Å; K659-M690 HydrophobicContact CG-CE 3.59Å; K659-M690 HydrophobicContact CG-SD 4.01Å
660	L	82.4	Confident	81.3	Confident	10 Å²	10	32 Å²	32	5%	0.052	19%	0.186	C	C	.	.	H	α-helix	trans	-66.1	-48.5	-178.8	-175	144.4	0	0	0	111.3	V625 A637 R638 L641 K656 S657 V658 W662 V663 L664	V625-L660 HydrophobicContact CG1-CD1 4.37Å; A637-L660 HydrophobicContact CB-CD1 3.58Å; R638-L660 HydrophobicContact CG-CD2 3.68Å; L641-L660 HydrophobicContact CD1-CB 4.11Å; L641-L660 HydrophobicContact CD1-CD1 3.81Å; L641-L660 HydrophobicContact CD1-CG 4.43Å; K656-L660 PolarHBondContact O-N 3.12Å; S657-L660 PolarHBondContact O-N 3.29Å; V658-L660 VanDerWaalsContact C-N 3.29Å; V658-L660 PolarHBondContact O-N 2.99Å; L660-W662 PolarHBondContact O-N 3.33Å; L660-V663 PolarHBondContact O-N 3.21Å; L660-L664 HydrophobicContact CD2-CD1 3.58Å; L660-L664 HydrophobicContact CG-CD1 4.34Å; L660-L664 WeakPolarHBondContact O-CG 3.19Å; L660-L664 PolarHBondContact O-N 3.26Å
661	E	83.1	Confident	81.5	Confident	21 Å²	21	32 Å²	32	10%	0.098	18%	0.183	C	C	.	.	H	α-helix	trans	-65.7	-30.8	175.6	-65.9	-53.2	146.3	0	0	112.1	R638 S657 V658 L664 G665 N666 A670 L673	R638-E661 IonicContact CZ-OE1 2.74Å; R638-E661 IonicContact CZ-OE2 3.73Å; R638-E661 IonicContact NE-OE1 2.94Å; R638-E661 PolarHBondContact NE-OE1 2.87Å; R638-E661 IonicContact NE-OE2 2.82Å; R638-E661 IonicContact NH2-OE1 3.5Å; R638-E661 IonicContact NH2-OE2 3.08Å; R638-E661 PolarHBondContact NH2-OE2 2.82Å; S657-E661 PolarHBondContact O-N 2.7Å; S657-E661 VanDerWaalsContact O-N 3.17Å; V658-E661 PolarHBondContact O-N 3.5Å; E661-L664 PolarHBondContact O-N 3.32Å; E661-G665 PolarHBondContact O-N 3.23Å; E661-N666 HydrophobicContact CB-CB 4.42Å; E661-N666 PolarHBondContact O-N 3.46Å; E661-N666 PolarHBondContact OE2-ND2 2.76Å; E661-N666 VanDerWaalsContact OE2-ND2 3.13Å; E661-A670 HydrophobicContact CB-CB 4.03Å; E661-L673 HydrophobicContact CG-CD1 3.71Å
662	W	83.4	Confident	81.9	Confident	11 Å²	11	37.8 Å²	37.8	4%	0.042	21%	0.209	C	C	.	.	H	α-helix	trans	-68.3	-43	177	-166.6	18.4	0	0	0	112.7	V658 K659 L660 L664 G665 Q693 I694 Q697 I895	V658-W662 VanDerWaalsContact O-CB 3.24Å; V658-W662 WeakPolarHBondContact O-CB 3.47Å; V658-W662 PolarHBondContact O-N 2.84Å; K659-W662 PolarHBondContact O-N 3.48Å; L660-W662 PolarHBondContact O-N 3.33Å; W662-L664 VanDerWaalsContact C-N 3.28Å; W662-L664 PolarHBondContact O-N 2.88Å; W662-G665 PolarHBondContact O-N 3.38Å; W662-Q693 HydrophobicContact CH2-CB 3.48Å; W662-Q693 VanDerWaalsContact CH2-CB 3.48Å; W662-Q693 HydrophobicContact CH2-CG 4.38Å; W662-Q693 HydrophobicContact CZ2-CB 3.86Å; W662-Q693 HydrophobicContact CZ3-CB 4.42Å; W662-I694 HydrophobicContact CD2-CD1 4.29Å; W662-I694 HydrophobicContact CD2-CG1 3.73Å; W662-I694 HydrophobicContact CE3-CG1 4.28Å; W662-I694 HydrophobicContact CG-CD1 4.33Å; W662-I694 HydrophobicContact CG-CG1 3.96Å; W662-I694 HydrophobicContact CZ2-CG1 4.14Å; W662-Q697 VanDerWaalsContact CZ2-NE2 3.34Å; W662-I895 HydrophobicContact CD2-CD1 3.72Å; W662-I895 HydrophobicContact CD2-CG1 3.75Å; W662-I895 HydrophobicContact CE3-CD1 3.3Å; W662-I895 HydrophobicContact CE3-CG1 3.81Å; W662-I895 HydrophobicContact CG-CG1 4.49Å; W662-I895 HydrophobicContact CH2-CD1 3.78Å; W662-I895 HydrophobicContact CH2-CG1 3.66Å; W662-I895 HydrophobicContact CZ2-CD1 4.2Å; W662-I895 HydrophobicContact CZ2-CG1 3.65Å; W662-I895 HydrophobicContact CZ3-CD1 3.34Å; W662-I895 HydrophobicContact CZ3-CG1 3.78Å
663	V	80.6	Confident	82	Confident	36 Å²	36	33.5 Å²	33.5	22%	0.218	20%	0.195	C	C	.	.	H	α-helix	trans	-63.4	-35	174.7	170.3	0	0	0	0	111.6	K659 L660 G665 I895 Q899	K659-V663 VanDerWaalsContact O-CG2 3.27Å; K659-V663 WeakPolarHBondContact O-CG2 3.23Å; K659-V663 PolarHBondContact O-N 3.33Å; L660-V663 PolarHBondContact O-N 3.21Å; V663-G665 PolarHBondContact O-N 3.32Å; V663-I895 HydrophobicContact CB-CG2 4.29Å; V663-I895 HydrophobicContact CG2-CG2 3.76Å; V663-Q899 HydrophobicContact CG1-CG 4.4Å
664	L	80	Confident	82	Confident	54 Å²	54	33.5 Å²	33.5	28%	0.283	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-2.3	178.7	-66	171.9	0	0	0	113.8	Y634 L660 E661 W662 N666	Y634-L664 HydrophobicContact CD1-CD1 4.34Å; Y634-L664 HydrophobicContact CD1-CD2 3.91Å; Y634-L664 HydrophobicContact CD1-CG 4.4Å; Y634-L664 HydrophobicContact CD2-CD2 3.69Å; Y634-L664 HydrophobicContact CE1-CD2 4.21Å; Y634-L664 HydrophobicContact CE2-CD2 4.01Å; Y634-L664 HydrophobicContact CG-CD1 4.17Å; Y634-L664 HydrophobicContact CG-CD2 3.65Å; Y634-L664 HydrophobicContact CG-CG 4.4Å; L660-L664 HydrophobicContact CD2-CD1 3.58Å; L660-L664 HydrophobicContact CG-CD1 4.34Å; L660-L664 WeakPolarHBondContact O-CG 3.19Å; L660-L664 PolarHBondContact O-N 3.26Å; E661-L664 PolarHBondContact O-N 3.32Å; W662-L664 VanDerWaalsContact C-N 3.28Å; W662-L664 PolarHBondContact O-N 2.88Å; L664-N666 VanDerWaalsContact C-N 3.27Å; L664-N666 PolarHBondContact O-N 3.47Å
665	G	77	Confident	82.2	Confident	50 Å²	50	36.9 Å²	36.9	52%	0.515	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	7.6	-179.5	0	0	0	0	0	114.6	E661 W662 V663 I667	E661-G665 PolarHBondContact O-N 3.23Å; W662-G665 PolarHBondContact O-N 3.38Å; V663-G665 PolarHBondContact O-N 3.32Å; G665-I667 VanDerWaalsContact C-N 3.26Å; G665-I667 PolarHBondContact O-N 2.89Å
666	N	81.5	Confident	82.1	Confident	74 Å²	74	39.7 Å²	39.7	40%	0.396	22%	0.224	S	C	.	.			trans	-81.9	69.7	177.4	-76.8	-16.6	0	0	0	111.1	R638 E661 L664 A668 A669 A670	R638-N666 PolarHBondContact NH2-ND2 2.86Å; E661-N666 HydrophobicContact CB-CB 4.42Å; E661-N666 PolarHBondContact O-N 3.46Å; E661-N666 PolarHBondContact OE2-ND2 2.76Å; E661-N666 VanDerWaalsContact OE2-ND2 3.13Å; L664-N666 VanDerWaalsContact C-N 3.27Å; L664-N666 PolarHBondContact O-N 3.47Å; N666-A668 VanDerWaalsContact C-N 3.34Å; N666-A668 PolarHBondContact O-N 3.13Å; N666-A669 HydrophobicContact CB-CB 4.49Å; N666-A669 PolarHBondContact O-N 3.2Å; N666-A670 WeakPolarHBondContact O-CB 3.43Å; N666-A670 PolarHBondContact O-N 2.87Å
667	I	75.5	Confident	82.2	Confident	49 Å²	49	37.4 Å²	37.4	25%	0.251	21%	0.214	S	C	.	.	H	α-helix	trans	-61.8	-38	-171.6	-59.7	-173.9	0	0	0	112.5	G665 A670 Q671 I694 K698	G665-I667 VanDerWaalsContact C-N 3.26Å; G665-I667 PolarHBondContact O-N 2.89Å; I667-A670 PolarHBondContact O-N 2.91Å; I667-Q671 WeakPolarHBondContact O-CG 3.28Å; I667-Q671 PolarHBondContact O-N 2.94Å; I667-I694 HydrophobicContact CG2-CG2 3.82Å; I667-K698 HydrophobicContact CG2-CD 4.32Å
668	A	82.4	Confident	82.3	Confident	63 Å²	63	37.3 Å²	37.3	52%	0.521	21%	0.212	S	C	.	.	H	α-helix	trans	-66.3	-49.1	-178.7	0	0	0	0	0	112.5	N666 A670 Q671 E672	N666-A668 VanDerWaalsContact C-N 3.34Å; N666-A668 PolarHBondContact O-N 3.13Å; A668-A670 VanDerWaalsContact C-N 3.29Å; A668-A670 PolarHBondContact O-N 3.28Å; A668-Q671 PolarHBondContact O-N 3.26Å; A668-E672 PolarHBondContact O-N 2.99Å; A668-E672 VanDerWaalsContact O-N 3.11Å
669	A	81.6	Confident	82.3	Confident	37 Å²	37	44.4 Å²	44.4	31%	0.306	24%	0.243	S	C	.	.	H	α-helix	trans	-63.8	-36.1	175.5	0	0	0	0	0	111.4	N666 Q671 E672 L673	N666-A669 HydrophobicContact CB-CB 4.49Å; N666-A669 PolarHBondContact O-N 3.2Å; A669-Q671 VanDerWaalsContact C-N 3.33Å; A669-Q671 PolarHBondContact O-N 3.27Å; A669-E672 PolarHBondContact O-N 3.01Å; A669-L673 WeakPolarHBondContact O-CB 3.36Å; A669-L673 WeakPolarHBondContact O-CG 3.37Å; A669-L673 PolarHBondContact O-N 3.33Å
670	A	80.8	Confident	82.3	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.5	-36.5	175.1	0	0	0	0	0	112.6	E661 N666 I667 A668 C674 I694	E661-A670 HydrophobicContact CB-CB 4.03Å; N666-A670 WeakPolarHBondContact O-CB 3.43Å; N666-A670 PolarHBondContact O-N 2.87Å; I667-A670 PolarHBondContact O-N 2.91Å; A668-A670 VanDerWaalsContact C-N 3.29Å; A668-A670 PolarHBondContact O-N 3.28Å; A670-C674 VanDerWaalsContact O-CB 3.31Å; A670-C674 WeakPolarHBondContact O-CB 3.5Å; A670-C674 PolarHBondContact O-N 3.27Å; A670-C674 PolarHBondContact O-SG 3.42Å; A670-C674 VanDerWaalsContact O-SG 3.37Å; A670-I694 HydrophobicContact CB-CD1 4.12Å
671	Q	82.5	Confident	82.3	Confident	38 Å²	38	52.5 Å²	52.5	18%	0.178	28%	0.278	C	S	.	.	H	α-helix	trans	-66.9	-46	174.4	-72.9	-173.8	-52	0	0	111.8	I667 A668 A669 L673 C674 E675 I694 E695	I667-Q671 WeakPolarHBondContact O-CG 3.28Å; I667-Q671 PolarHBondContact O-N 2.94Å; A668-Q671 PolarHBondContact O-N 3.26Å; A669-Q671 VanDerWaalsContact C-N 3.33Å; A669-Q671 PolarHBondContact O-N 3.27Å; Q671-L673 VanDerWaalsContact C-N 3.35Å; Q671-L673 PolarHBondContact O-N 2.82Å; Q671-C674 WeakPolarHBondContact O-CB 3.44Å; Q671-C674 PolarHBondContact O-N 3.15Å; Q671-E675 WeakPolarHBondContact O-CB 3.15Å; Q671-E675 PolarHBondContact O-N 3.32Å; Q671-I694 HydrophobicContact CG-CG2 3.8Å; Q671-E695 VanDerWaalsContact NE2-CD 3.34Å; Q671-E695 PolarHBondContact NE2-OE1 3.35Å
672	E	85.7	Confident	82.2	Confident	130 Å²	130	55.8 Å²	55.8	61%	0.607	29%	0.294	S	S	*	.	H	α-helix	trans	-60	-46.1	176.5	-70.6	176.7	176.7	0	0	111.3	A668 A669 C674 E675 E676	A668-E672 PolarHBondContact O-N 2.99Å; A668-E672 VanDerWaalsContact O-N 3.11Å; A669-E672 PolarHBondContact O-N 3.01Å; E672-C674 VanDerWaalsContact C-N 3.35Å; E672-C674 PolarHBondContact O-N 2.93Å; E672-E675 PolarHBondContact O-N 3.48Å; E672-E676 WeakPolarHBondContact O-CB 3.45Å; E672-E676 WeakPolarHBondContact O-CG 3.28Å; E672-E676 PolarHBondContact O-N 3.49Å
673	L	83.4	Confident	82.3	Confident	26 Å²	26	61.6 Å²	61.6	14%	0.136	33%	0.325	C	S	.	.	H	α-helix	trans	-64.4	-37.5	176.6	-69.6	176.6	0	0	0	112.6	V658 E661 A669 Q671 A677	V658-L673 HydrophobicContact CG2-CB 4.08Å; E661-L673 HydrophobicContact CG-CD1 3.71Å; A669-L673 WeakPolarHBondContact O-CB 3.36Å; A669-L673 WeakPolarHBondContact O-CG 3.37Å; A669-L673 PolarHBondContact O-N 3.33Å; Q671-L673 VanDerWaalsContact C-N 3.35Å; Q671-L673 PolarHBondContact O-N 2.82Å; L673-A677 WeakPolarHBondContact O-CB 3.49Å; L673-A677 PolarHBondContact O-N 3.47Å
674	C	83.1	Confident	82.4	Confident	1 Å²	1	63 Å²	63	1%	0.007	33%	0.329	C	S	.	.	H	α-helix	trans	-62.2	-45.8	171.8	-88.2	0	0	0	0	111.6	V658 A670 Q671 E672 A677 L678 K691	V658-C674 WeakPolarHBondContact CG1-SG 3.25Å; V658-C674 HydrophobicContact CG2-CB 4.37Å; V658-C674 VanDerWaalsContact CG2-SG 3.53Å; A670-C674 VanDerWaalsContact O-CB 3.31Å; A670-C674 WeakPolarHBondContact O-CB 3.5Å; A670-C674 PolarHBondContact O-N 3.27Å; A670-C674 PolarHBondContact O-SG 3.42Å; A670-C674 VanDerWaalsContact O-SG 3.37Å; Q671-C674 WeakPolarHBondContact O-CB 3.44Å; Q671-C674 PolarHBondContact O-N 3.15Å; E672-C674 VanDerWaalsContact C-N 3.35Å; E672-C674 PolarHBondContact O-N 2.93Å; C674-A677 PolarHBondContact O-N 2.85Å; C674-L678 VanDerWaalsContact O-CB 3.31Å; C674-L678 WeakPolarHBondContact O-CB 3.35Å; C674-L678 WeakPolarHBondContact O-CG 3.18Å; C674-L678 PolarHBondContact O-N 3.33Å; C674-K691 HydrophobicContact CB-CB 4.42Å
675	E	85.6	Confident	82.6	Confident	79 Å²	79	62.2 Å²	62.2	37%	0.369	33%	0.327	S	S	.	.	H	α-helix	trans	-66.1	-45.5	-178.7	-159.5	70.9	-152	0	0	111.2	Q671 E672 A677 L678 K679 K691	Q671-E675 WeakPolarHBondContact O-CB 3.15Å; Q671-E675 PolarHBondContact O-N 3.32Å; E672-E675 PolarHBondContact O-N 3.48Å; E675-A677 VanDerWaalsContact C-N 3.34Å; E675-L678 PolarHBondContact O-N 3.06Å; E675-K679 WeakPolarHBondContact O-CG 3.48Å; E675-K679 PolarHBondContact O-N 2.97Å; E675-K691 IonicContact OE1-NZ 3.92Å; E675-K691 PolarHBondContact OE1-NZ 2.99Å; E675-K691 WeakPolarHBondContact OE2-CE 3.33Å; E675-K691 IonicContact OE2-NZ 3.29Å; E675-K691 PolarHBondContact OE2-NZ 3.45Å
676	E	84.7	Confident	83	Confident	78 Å²	78	63.9 Å²	63.9	36%	0.364	32%	0.32	S	S	.	.	H	α-helix	trans	-57.9	-47.8	172.2	-74.7	-178.3	178.4	0	0	111	R645 E672 L678 K679 H680	R645-E676 IonicContact CZ-OE2 3.73Å; R645-E676 IonicContact NH1-OE2 2.82Å; R645-E676 IonicContact NH2-OE2 3.81Å; R645-E676 PolarHBondContact NH2-OE2 3.22Å; E672-E676 WeakPolarHBondContact O-CB 3.45Å; E672-E676 WeakPolarHBondContact O-CG 3.28Å; E672-E676 PolarHBondContact O-N 3.49Å; E676-L678 VanDerWaalsContact C-N 3.3Å; E676-L678 PolarHBondContact O-N 3.31Å; E676-K679 PolarHBondContact O-N 2.87Å; E676-H680 PolarHBondContact O-CD2 3.13Å; E676-H680 PolarHBondContact O-N 3.31Å
677	A	83.9	Confident	83.2	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.6	-37.7	-179.9	0	0	0	0	0	112.1	F654 L673 C674 E675 H680 Y681 L687	F654-A677 HydrophobicContact CB-CB 3.63Å; F654-A677 HydrophobicContact CD1-CB 3.56Å; F654-A677 HydrophobicContact CE1-CB 4.39Å; F654-A677 HydrophobicContact CG-CB 3.78Å; L673-A677 WeakPolarHBondContact O-CB 3.49Å; L673-A677 PolarHBondContact O-N 3.47Å; C674-A677 PolarHBondContact O-N 2.85Å; E675-A677 VanDerWaalsContact C-N 3.34Å; A677-H680 PolarHBondContact O-N 3.31Å; A677-Y681 PolarHBondContact O-N 3.08Å; A677-L687 HydrophobicContact CB-CD2 3.43Å; A677-L687 VanDerWaalsContact CB-CD2 3.43Å; A677-L687 HydrophobicContact CB-CG 4.29Å
678	L	83.2	Confident	83.8	Confident	4 Å²	4	58.2 Å²	58.2	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-69.8	-38.1	176.5	-75.8	172	0	0	0	111.9	C674 E675 E676 H680 Y681 E682 L687 W688 K691	C674-L678 VanDerWaalsContact O-CB 3.31Å; C674-L678 WeakPolarHBondContact O-CB 3.35Å; C674-L678 WeakPolarHBondContact O-CG 3.18Å; C674-L678 PolarHBondContact O-N 3.33Å; E675-L678 PolarHBondContact O-N 3.06Å; E676-L678 VanDerWaalsContact C-N 3.3Å; E676-L678 PolarHBondContact O-N 3.31Å; L678-H680 PolarHBondContact O-N 2.99Å; L678-Y681 CarbonylContact O-C 3.32Å; L678-Y681 PolarHBondContact O-N 3.42Å; L678-E682 WeakPolarHBondContact O-CA 3.47Å; L678-E682 WeakPolarHBondContact O-CG 3.38Å; L678-E682 PolarHBondContact O-N 2.93Å; L678-E682 VanDerWaalsContact O-N 3.13Å; L678-L687 HydrophobicContact CD2-CB 3.59Å; L678-L687 HydrophobicContact CD2-CD2 4.23Å; L678-L687 HydrophobicContact CG-CB 4.19Å; L678-L687 HydrophobicContact CG-CD2 4.46Å; L678-W688 HydrophobicContact CB-CZ2 4.49Å; L678-W688 HydrophobicContact CD1-CD2 4.06Å; L678-W688 HydrophobicContact CD1-CE3 3.81Å; L678-W688 HydrophobicContact CD1-CH2 3.97Å; L678-W688 HydrophobicContact CD1-CZ2 4.22Å; L678-W688 HydrophobicContact CD1-CZ3 3.78Å; L678-W688 HydrophobicContact CD2-CD2 3.65Å; L678-W688 HydrophobicContact CD2-CE3 4.28Å; L678-W688 HydrophobicContact CD2-CG 3.93Å; L678-W688 HydrophobicContact CD2-CH2 4.35Å; L678-W688 HydrophobicContact CD2-CZ2 3.75Å; L678-W688 HydrophobicContact CG-CZ2 4.38Å; L678-K691 HydrophobicContact CD1-CB 4.36Å; L678-K691 HydrophobicContact CD1-CD 3.52Å
679	K	85.2	Confident	84	Confident	151 Å²	151	56.3 Å²	56.3	66%	0.657	27%	0.27	S	S	*	.	H	α-helix	trans	-58	-36.3	172.7	-74.3	173.8	-176.6	175.9	0	112.2	E675 E676	E675-K679 WeakPolarHBondContact O-CG 3.48Å; E675-K679 PolarHBondContact O-N 2.97Å; E676-K679 PolarHBondContact O-N 2.87Å
680	H	82.4	Confident	84.1	Confident	128 Å²	128	54.8 Å²	54.8	59%	0.593	26%	0.257	S	S	*	.	H	α-helix	trans	-82.6	-35.8	177.3	-68.1	-62.3	0	0	0	113.2	E676 A677 L678	E676-H680 PolarHBondContact O-CD2 3.13Å; E676-H680 PolarHBondContact O-N 3.31Å; A677-H680 PolarHBondContact O-N 3.31Å; L678-H680 PolarHBondContact O-N 2.99Å
681	Y	81.8	Confident	84.4	Confident	72 Å²	72	55.9 Å²	55.9	28%	0.282	26%	0.262	S	S	.	.			trans	-133.7	71.4	-172.9	-59.8	-80.8	0	0	0	111.7	P649 A651 F654 A677 L678 D683 F684	P649-Y681 PolarHBondContact O-OH 3.06Å; A651-Y681 HydrophobicContact CB-CD1 4.04Å; A651-Y681 HydrophobicContact CB-CD2 4.21Å; A651-Y681 HydrophobicContact CB-CG 3.77Å; F654-Y681 HydrophobicContact CD2-CD2 4.31Å; F654-Y681 AromaticContact CD2-CE2 3.97Å; F654-Y681 HydrophobicContact CD2-CE2 3.97Å; F654-Y681 AromaticContact CE2-CE2 3.95Å; F654-Y681 HydrophobicContact CE2-CE2 3.95Å; A677-Y681 PolarHBondContact O-N 3.08Å; L678-Y681 CarbonylContact O-C 3.32Å; L678-Y681 PolarHBondContact O-N 3.42Å; Y681-D683 VanDerWaalsContact C-N 3.27Å; Y681-D683 PolarHBondContact O-N 3.4Å; Y681-F684 PolarHBondContact O-N 3.36Å
682	E	82.1	Confident	84.5	Confident	91 Å²	91	54.1 Å²	54.1	43%	0.425	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-26.8	-178.9	-65.1	-164.6	152.4	0	0	113.8	L678 F684 W688 K714	L678-E682 WeakPolarHBondContact O-CA 3.47Å; L678-E682 WeakPolarHBondContact O-CG 3.38Å; L678-E682 PolarHBondContact O-N 2.93Å; L678-E682 VanDerWaalsContact O-N 3.13Å; E682-F684 VanDerWaalsContact C-N 3.33Å; E682-F684 PolarHBondContact O-N 3.29Å; E682-W688 PolarHBondContact O-NE1 3.41Å; E682-K714 HydrophobicContact CB-CD 4.11Å; E682-K714 IonicContact OE1-NZ 2.94Å; E682-K714 PolarHBondContact OE1-NZ 3.3Å; E682-K714 IonicContact OE2-NZ 3.3Å; E682-K714 PolarHBondContact OE2-NZ 3.5Å
683	D	84.4	Confident	84.4	Confident	132 Å²	132	50.3 Å²	50.3	71%	0.706	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-17.5	-176.3	-168.7	35.1	0	0	0	113.1	Y681 P685	Y681-D683 VanDerWaalsContact C-N 3.27Å; Y681-D683 PolarHBondContact O-N 3.4Å; D683-P685 WeakPolarHBondContact O-CD 3.17Å
684	F	83.6	Confident	84.4	Confident	67 Å²	67	49.1 Å²	49.1	29%	0.294	23%	0.229	S	C	.	.			trans	-85.5	109.7	-172.7	-167.5	-103	0	0	0	112.6	A651 M655 Y681 E682 K686 L687	A651-F684 HydrophobicContact CB-CB 3.92Å; A651-F684 HydrophobicContact CB-CD1 4.01Å; A651-F684 HydrophobicContact CB-CD2 4.04Å; A651-F684 HydrophobicContact CB-CE1 4.41Å; A651-F684 HydrophobicContact CB-CG 3.74Å; M655-F684 HydrophobicContact SD-CE1 4.4Å; Y681-F684 PolarHBondContact O-N 3.36Å; E682-F684 VanDerWaalsContact C-N 3.33Å; E682-F684 PolarHBondContact O-N 3.29Å; F684-K686 VanDerWaalsContact C-N 3.31Å; F684-K686 HydrophobicContact CD1-CB 4.01Å; F684-K686 HydrophobicContact CE1-CB 3.51Å; F684-K686 HydrophobicContact CE1-CG 4.47Å; F684-K686 HydrophobicContact CZ-CB 4.06Å; F684-K686 PolarHBondContact O-N 2.93Å; F684-L687 HydrophobicContact CD1-CB 4.3Å; F684-L687 HydrophobicContact CD1-CD1 3.32Å; F684-L687 HydrophobicContact CD1-CG 4.26Å; F684-L687 HydrophobicContact CE1-CD1 3.63Å; F684-L687 HydrophobicContact CG-CD1 4.43Å; F684-L687 PolarHBondContact O-N 3.09Å
685	P	84.2	Confident	84.5	Confident	36 Å²	36	49.9 Å²	49.9	23%	0.234	23%	0.233	C	C	.	.	H	α-helix	trans	-68.5	-26.3	-169.6	26.4	-35.5	0	0	0	113.8	D683 L687 W688 M689 C715 S718	D683-P685 WeakPolarHBondContact O-CD 3.17Å; P685-L687 VanDerWaalsContact C-N 3.32Å; P685-L687 PolarHBondContact O-N 3.36Å; P685-W688 WeakPolarHBondContact O-CB 3.42Å; P685-W688 PolarHBondContact O-N 2.83Å; P685-M689 WeakPolarHBondContact O-CG 3.42Å; P685-M689 PolarHBondContact O-N 2.85Å; P685-C715 HydrophobicContact CB-CB 4.23Å; P685-S718 VanDerWaalsContact CB-CB 3.4Å; P685-S718 WeakPolarHBondContact CB-OG 3.12Å
686	K	84.6	Confident	84.3	Confident	85 Å²	85	48.2 Å²	48.2	37%	0.37	23%	0.225	S	C	.	.	H	α-helix	trans	-76.1	-21.7	-174.2	-165.8	150.7	-166.2	174.2	0	113.4	M655 F684 M689 M690	M655-K686 HydrophobicContact CE-CD 3.79Å; M655-K686 HydrophobicContact CE-CG 4.03Å; M655-K686 HydrophobicContact SD-CD 4.08Å; M655-K686 HydrophobicContact SD-CG 4.11Å; F684-K686 VanDerWaalsContact C-N 3.31Å; F684-K686 HydrophobicContact CD1-CB 4.01Å; F684-K686 HydrophobicContact CE1-CB 3.51Å; F684-K686 HydrophobicContact CE1-CG 4.47Å; F684-K686 HydrophobicContact CZ-CB 4.06Å; F684-K686 PolarHBondContact O-N 2.93Å; K686-M689 VanDerWaalsContact CA-CE 3.47Å; K686-M689 HydrophobicContact CB-CE 3.66Å; K686-M689 HydrophobicContact CD-CE 4.12Å; K686-M689 HydrophobicContact CG-CE 3.78Å; K686-M690 HydrophobicContact CG-CE 4.38Å; K686-M690 WeakPolarHBondContact O-CG 3.48Å; K686-M690 PolarHBondContact O-N 3.46Å; K686-M690 VanDerWaalsContact O-N 3.11Å
687	L	86.5	Confident	84.1	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-68.8	-43.8	168.4	-95.7	60.3	0	0	0	110.2	A651 M655 A677 L678 F684 P685 M689 M690 K691	A651-L687 WeakPolarHBondContact O-CD1 3.38Å; M655-L687 HydrophobicContact CB-CD1 3.79Å; A677-L687 HydrophobicContact CB-CD2 3.43Å; A677-L687 VanDerWaalsContact CB-CD2 3.43Å; A677-L687 HydrophobicContact CB-CG 4.29Å; L678-L687 HydrophobicContact CD2-CB 3.59Å; L678-L687 HydrophobicContact CD2-CD2 4.23Å; L678-L687 HydrophobicContact CG-CB 4.19Å; L678-L687 HydrophobicContact CG-CD2 4.46Å; F684-L687 HydrophobicContact CD1-CB 4.3Å; F684-L687 HydrophobicContact CD1-CD1 3.32Å; F684-L687 HydrophobicContact CD1-CG 4.26Å; F684-L687 HydrophobicContact CE1-CD1 3.63Å; F684-L687 HydrophobicContact CG-CD1 4.43Å; F684-L687 PolarHBondContact O-N 3.09Å; P685-L687 VanDerWaalsContact C-N 3.32Å; P685-L687 PolarHBondContact O-N 3.36Å; L687-M689 VanDerWaalsContact C-N 3.3Å; L687-M689 PolarHBondContact O-N 3.05Å; L687-M690 PolarHBondContact O-N 2.92Å; L687-K691 PolarHBondContact O-N 3.45Å
688	W	87.6	Confident	83.9	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.015	25%	0.249	C	C	.	.	H	α-helix	trans	-59.8	-40.5	173.1	-66.4	106.3	0	0	0	112.3	L678 E682 P685 K691 G692 A707 Q710 G711 K714 L721	L678-W688 HydrophobicContact CB-CZ2 4.49Å; L678-W688 HydrophobicContact CD1-CD2 4.06Å; L678-W688 HydrophobicContact CD1-CE3 3.81Å; L678-W688 HydrophobicContact CD1-CH2 3.97Å; L678-W688 HydrophobicContact CD1-CZ2 4.22Å; L678-W688 HydrophobicContact CD1-CZ3 3.78Å; L678-W688 HydrophobicContact CD2-CD2 3.65Å; L678-W688 HydrophobicContact CD2-CE3 4.28Å; L678-W688 HydrophobicContact CD2-CG 3.93Å; L678-W688 HydrophobicContact CD2-CH2 4.35Å; L678-W688 HydrophobicContact CD2-CZ2 3.75Å; L678-W688 HydrophobicContact CG-CZ2 4.38Å; E682-W688 PolarHBondContact O-NE1 3.41Å; P685-W688 WeakPolarHBondContact O-CB 3.42Å; P685-W688 PolarHBondContact O-N 2.83Å; W688-K691 PolarHBondContact O-N 3.45Å; W688-G692 PolarHBondContact O-N 3.48Å; W688-A707 VanDerWaalsContact CE3-O 3.24Å; W688-Q710 HydrophobicContact CH2-CB 4.29Å; W688-Q710 HydrophobicContact CH2-CG 3.74Å; W688-Q710 HydrophobicContact CZ2-CG 4.49Å; W688-Q710 HydrophobicContact CZ3-CB 4.01Å; W688-Q710 HydrophobicContact CZ3-CG 3.97Å; W688-Q710 VanDerWaalsContact CZ3-OE1 3.26Å; W688-G711 VanDerWaalsContact CD2-CA 3.48Å; W688-K714 HydrophobicContact CZ2-CD 3.94Å; W688-L721 HydrophobicContact CB-CD1 4.24Å; W688-L721 HydrophobicContact CB-CD2 4.25Å
689	M	86.6	Confident	83.6	Confident	23 Å²	23	61.6 Å²	61.6	11%	0.113	29%	0.286	C	S	.	.	H	α-helix	trans	-59.2	-46.5	173.6	-68.4	-169.3	-89.2	0	0	112	P685 K686 L687 G692 Q693 P720 L721 L724	P685-M689 WeakPolarHBondContact O-CG 3.42Å; P685-M689 PolarHBondContact O-N 2.85Å; K686-M689 VanDerWaalsContact CA-CE 3.47Å; K686-M689 HydrophobicContact CB-CE 3.66Å; K686-M689 HydrophobicContact CD-CE 4.12Å; K686-M689 HydrophobicContact CG-CE 3.78Å; L687-M689 VanDerWaalsContact C-N 3.3Å; L687-M689 PolarHBondContact O-N 3.05Å; M689-G692 PolarHBondContact O-N 3.42Å; M689-Q693 VanDerWaalsContact O-CG 3.3Å; M689-Q693 WeakPolarHBondContact O-CG 3.37Å; M689-Q693 PolarHBondContact O-N 3.05Å; M689-P720 HydrophobicContact CE-CB 4.3Å; M689-P720 HydrophobicContact SD-CB 3.75Å; M689-L721 HydrophobicContact CG-CB 4.33Å; M689-L721 HydrophobicContact CG-CD1 3.73Å; M689-L724 HydrophobicContact CB-CD1 3.74Å; M689-L724 HydrophobicContact CG-CD1 3.42Å; M689-L724 VanDerWaalsContact CG-CD1 3.42Å; M689-L724 HydrophobicContact SD-CD1 3.5Å; M689-L724 VanDerWaalsContact SD-CD1 3.5Å
690	M	84.9	Confident	83.5	Confident	5 Å²	5	57.8 Å²	57.8	3%	0.025	27%	0.272	C	S	.	.	H	α-helix	trans	-64.9	-44.1	178.7	-73	179.1	-177.7	0	0	112.5	M655 V658 K659 K686 L687 G692 Q693 I694	M655-M690 HydrophobicContact CB-CE 4.48Å; M655-M690 HydrophobicContact CB-SD 4.45Å; M655-M690 HydrophobicContact CE-CE 3.35Å; M655-M690 HydrophobicContact CG-CE 3.2Å; M655-M690 HydrophobicContact CG-SD 3.66Å; M655-M690 HydrophobicContact SD-CE 4.03Å; V658-M690 HydrophobicContact CB-SD 4.37Å; V658-M690 HydrophobicContact CG1-CB 4.16Å; V658-M690 HydrophobicContact CG1-SD 3.92Å; K659-M690 HydrophobicContact CD-CE 3.73Å; K659-M690 HydrophobicContact CG-CE 3.59Å; K659-M690 HydrophobicContact CG-SD 4.01Å; K686-M690 HydrophobicContact CG-CE 4.38Å; K686-M690 WeakPolarHBondContact O-CG 3.48Å; K686-M690 PolarHBondContact O-N 3.46Å; K686-M690 VanDerWaalsContact O-N 3.11Å; L687-M690 PolarHBondContact O-N 2.92Å; M690-G692 VanDerWaalsContact C-N 3.32Å; M690-G692 PolarHBondContact O-N 2.65Å; M690-Q693 PolarHBondContact O-N 2.93Å; M690-I694 WeakPolarHBondContact O-CB 3.31Å; M690-I694 WeakPolarHBondContact O-CD1 3.43Å; M690-I694 WeakPolarHBondContact O-CG1 3.48Å; M690-I694 PolarHBondContact O-N 2.86Å
691	K	85.6	Confident	83.5	Confident	24 Å²	24	53.9 Å²	53.9	10%	0.104	26%	0.258	C	S	.	.	H	α-helix	trans	-56.5	-48.4	176.8	-179.3	173.1	171.9	176.4	0	110.7	C674 E675 L678 L687 W688 I694 E695 A707	C674-K691 HydrophobicContact CB-CB 4.42Å; E675-K691 IonicContact OE1-NZ 3.92Å; E675-K691 PolarHBondContact OE1-NZ 2.99Å; E675-K691 WeakPolarHBondContact OE2-CE 3.33Å; E675-K691 IonicContact OE2-NZ 3.29Å; E675-K691 PolarHBondContact OE2-NZ 3.45Å; L678-K691 HydrophobicContact CD1-CB 4.36Å; L678-K691 HydrophobicContact CD1-CD 3.52Å; L687-K691 PolarHBondContact O-N 3.45Å; W688-K691 PolarHBondContact O-N 3.45Å; K691-I694 PolarHBondContact O-N 3.03Å; K691-E695 WeakPolarHBondContact O-CG 3.44Å; K691-E695 PolarHBondContact O-N 3.19Å; K691-A707 HydrophobicContact CD-CB 4.11Å; K691-A707 HydrophobicContact CG-CB 4.01Å
692	G	84.9	Confident	83.6	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65.3	-38	178.1	0	0	0	0	0	113.7	W688 M689 M690 E695 E696 Y708	W688-G692 PolarHBondContact O-N 3.48Å; M689-G692 PolarHBondContact O-N 3.42Å; M690-G692 VanDerWaalsContact C-N 3.32Å; M690-G692 PolarHBondContact O-N 2.65Å; G692-E695 PolarHBondContact O-N 3.23Å; G692-E696 WeakPolarHBondContact O-CG 3.44Å; G692-E696 PolarHBondContact O-N 2.72Å; G692-Y708 VanDerWaalsContact C-OH 3.27Å; G692-Y708 VanDerWaalsContact CA-CE1 3.48Å
693	Q	84	Confident	83.8	Confident	50 Å²	50	57.5 Å²	57.5	23%	0.234	28%	0.275	C	S	.	.	H	α-helix	trans	-68.4	-36	175.9	-70.8	-179.2	-38.8	0	0	113.2	W662 M689 M690 E695 E696 Q697 Y708 L724	W662-Q693 HydrophobicContact CH2-CB 3.48Å; W662-Q693 VanDerWaalsContact CH2-CB 3.48Å; W662-Q693 HydrophobicContact CH2-CG 4.38Å; W662-Q693 HydrophobicContact CZ2-CB 3.86Å; W662-Q693 HydrophobicContact CZ3-CB 4.42Å; M689-Q693 VanDerWaalsContact O-CG 3.3Å; M689-Q693 WeakPolarHBondContact O-CG 3.37Å; M689-Q693 PolarHBondContact O-N 3.05Å; M690-Q693 PolarHBondContact O-N 2.93Å; Q693-E695 VanDerWaalsContact C-N 3.35Å; Q693-E696 PolarHBondContact O-N 3.33Å; Q693-Q697 WeakPolarHBondContact O-CG 3.47Å; Q693-Q697 PolarHBondContact O-N 3.18Å; Q693-Q697 VanDerWaalsContact O-N 3.1Å; Q693-Y708 PolarHBondContact N-OH 3.14Å; Q693-L724 HydrophobicContact CG-CD2 4.4Å
694	I	84.4	Confident	83.8	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-65	-41.8	173.6	-69.8	165.4	0	0	0	110.1	V658 W662 I667 A670 Q671 M690 K691 Q697 K698	V658-I694 HydrophobicContact CG1-CD1 3.84Å; W662-I694 HydrophobicContact CD2-CD1 4.29Å; W662-I694 HydrophobicContact CD2-CG1 3.73Å; W662-I694 HydrophobicContact CE3-CG1 4.28Å; W662-I694 HydrophobicContact CG-CD1 4.33Å; W662-I694 HydrophobicContact CG-CG1 3.96Å; W662-I694 HydrophobicContact CZ2-CG1 4.14Å; I667-I694 HydrophobicContact CG2-CG2 3.82Å; A670-I694 HydrophobicContact CB-CD1 4.12Å; Q671-I694 HydrophobicContact CG-CG2 3.8Å; M690-I694 WeakPolarHBondContact O-CB 3.31Å; M690-I694 WeakPolarHBondContact O-CD1 3.43Å; M690-I694 WeakPolarHBondContact O-CG1 3.48Å; M690-I694 PolarHBondContact O-N 2.86Å; K691-I694 PolarHBondContact O-N 3.03Å; I694-Q697 PolarHBondContact O-N 2.83Å; I694-K698 PolarHBondContact O-N 3.39Å
695	E	83.6	Confident	83.9	Confident	17 Å²	17	49.6 Å²	49.6	8%	0.079	23%	0.234	C	C	.	.	H	α-helix	trans	-67.3	-36.6	175.6	-65.1	-90.2	173.5	0	0	112	Q671 K691 G692 Q693 K698 E699 L700 K703 A704	Q671-E695 VanDerWaalsContact NE2-CD 3.34Å; Q671-E695 PolarHBondContact NE2-OE1 3.35Å; K691-E695 WeakPolarHBondContact O-CG 3.44Å; K691-E695 PolarHBondContact O-N 3.19Å; G692-E695 PolarHBondContact O-N 3.23Å; Q693-E695 VanDerWaalsContact C-N 3.35Å; E695-K698 PolarHBondContact O-N 3.3Å; E695-E699 PolarHBondContact O-N 3.37Å; E695-L700 PolarHBondContact O-N 3.03Å; E695-K703 WeakPolarHBondContact OE2-CB 3.46Å; E695-K703 WeakPolarHBondContact OE2-CD 3.46Å; E695-A704 HydrophobicContact CB-CB 3.75Å
696	E	82.3	Confident	84.1	Confident	45 Å²	45	54.1 Å²	54.1	21%	0.21	25%	0.252	C	S	.	.	H	α-helix	trans	-60.6	-43.3	173.4	-81.8	-179.6	-141.5	0	0	111.9	G692 Q693 K698 E699 A704 Y708 L728 K731	G692-E696 WeakPolarHBondContact O-CG 3.44Å; G692-E696 PolarHBondContact O-N 2.72Å; Q693-E696 PolarHBondContact O-N 3.33Å; E696-K698 PolarHBondContact O-N 2.73Å; E696-E699 PolarHBondContact O-N 3.25Å; E696-E699 VanDerWaalsContact O-N 3.13Å; E696-A704 HydrophobicContact CG-CB 4.08Å; E696-Y708 WeakPolarHBondContact OE1-CE2 3.48Å; E696-Y708 PolarHBondContact OE1-OH 2.96Å; E696-L728 HydrophobicContact CG-CD1 3.69Å; E696-K731 IonicContact OE2-NZ 3.66Å
697	Q	80.7	Confident	84.3	Confident	100 Å²	100	50.2 Å²	50.2	47%	0.467	24%	0.235	S	C	.	.	H	α-helix	trans	-67.6	-24.1	177.4	-73.9	-176.3	-4.4	0	0	113.4	W662 Q693 I694 E699	W662-Q697 VanDerWaalsContact CZ2-NE2 3.34Å; Q693-Q697 WeakPolarHBondContact O-CG 3.47Å; Q693-Q697 PolarHBondContact O-N 3.18Å; Q693-Q697 VanDerWaalsContact O-N 3.1Å; I694-Q697 PolarHBondContact O-N 2.83Å; Q697-E699 PolarHBondContact O-N 2.76Å
698	K	80.4	Confident	84.4	Confident	92 Å²	92	50.2 Å²	50.2	40%	0.4	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	4.6	175.9	-151.7	175.7	-174.5	177.5	0	112.6	I667 I694 E695 E696 L700	I667-K698 HydrophobicContact CG2-CD 4.32Å; I694-K698 PolarHBondContact O-N 3.39Å; E695-K698 PolarHBondContact O-N 3.3Å; E696-K698 PolarHBondContact O-N 2.73Å; K698-L700 HydrophobicContact CD-CD1 4.12Å; K698-L700 HydrophobicContact CG-CD1 4.43Å; K698-L700 PolarHBondContact O-N 3.1Å; K698-L700 VanDerWaalsContact O-N 3.08Å
699	E	76.6	Confident	84.4	Confident	171 Å²	171	54.5 Å²	54.5	80%	0.799	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	11.9	-174.8	-57.3	-175.3	162.4	0	0	114.6	E695 E696 Q697 V701	E695-E699 PolarHBondContact O-N 3.37Å; E696-E699 PolarHBondContact O-N 3.25Å; E696-E699 VanDerWaalsContact O-N 3.13Å; Q697-E699 PolarHBondContact O-N 2.76Å; E699-V701 PolarHBondContact O-N 3.06Å; E699-V701 VanDerWaalsContact O-N 3.11Å
700	L	83.1	Confident	84.5	Confident	70 Å²	70	57 Å²	57	37%	0.366	27%	0.27	S	S	.	.			trans	-89.5	71.1	178.5	-65.8	-178.7	0	0	0	111	E695 K698 E702 K703 A704	E695-L700 PolarHBondContact O-N 3.03Å; K698-L700 HydrophobicContact CD-CD1 4.12Å; K698-L700 HydrophobicContact CG-CD1 4.43Å; K698-L700 PolarHBondContact O-N 3.1Å; K698-L700 VanDerWaalsContact O-N 3.08Å; L700-E702 VanDerWaalsContact C-N 3.3Å; L700-E702 PolarHBondContact O-N 2.97Å; L700-K703 HydrophobicContact CB-CB 4.39Å; L700-K703 HydrophobicContact CB-CD 4.49Å; L700-K703 HydrophobicContact CD1-CD 4.01Å; L700-K703 PolarHBondContact O-N 2.87Å; L700-A704 PolarHBondContact O-N 3.49Å; L700-A704 VanDerWaalsContact O-N 3.14Å
701	V	81.8	Confident	84.5	Confident	47 Å²	47	56.7 Å²	56.7	29%	0.285	27%	0.268	S	S	.	.	H	α-helix	trans	-59.6	-35.9	-173	-176.3	0	0	0	0	113.5	E699 A704 R705 L728 V732	E699-V701 PolarHBondContact O-N 3.06Å; E699-V701 VanDerWaalsContact O-N 3.11Å; V701-A704 PolarHBondContact O-N 3.43Å; V701-R705 WeakPolarHBondContact O-CG 3.35Å; V701-R705 PolarHBondContact O-N 3.3Å; V701-L728 HydrophobicContact CG1-CD1 4.01Å; V701-L728 HydrophobicContact CG1-CD2 4.44Å; V701-L728 HydrophobicContact CG1-CG 4.29Å; V701-V732 HydrophobicContact CG1-CG2 3.42Å; V701-V732 VanDerWaalsContact CG1-CG2 3.42Å
702	E	84.4	Confident	84.5	Confident	127 Å²	127	55.9 Å²	55.9	59%	0.593	27%	0.265	S	S	*	.	H	α-helix	trans	-65.6	-40.8	179.6	-64.4	-58.8	153.1	0	0	112.5	L700 R705 E706	L700-E702 VanDerWaalsContact C-N 3.3Å; L700-E702 PolarHBondContact O-N 2.97Å; E702-R705 WeakPolarHBondContact O-CB 3.44Å; E702-R705 PolarHBondContact O-N 2.9Å; E702-R705 IonicContact OE1-CZ 3.9Å; E702-R705 VanDerWaalsContact OE1-CZ 3.27Å; E702-R705 IonicContact OE1-NH1 3.59Å; E702-R705 PolarHBondContact OE1-NH1 2.92Å; E702-R705 IonicContact OE1-NH2 3.8Å; E702-R705 PolarHBondContact OE1-NH2 3.42Å; E702-R705 IonicContact OE2-CZ 3.71Å; E702-R705 IonicContact OE2-NH1 2.82Å; E702-R705 PolarHBondContact OE2-NH1 2.75Å; E702-E706 PolarHBondContact O-N 3.13Å
703	K	84.8	Confident	84.6	Confident	111 Å²	111	64.7 Å²	64.7	48%	0.483	30%	0.303	S	S	.	.	H	α-helix	trans	-70.5	-34.6	176.6	-70.4	-172.3	-179.5	-179.2	0	111.8	E695 L700 E706 A707	E695-K703 WeakPolarHBondContact OE2-CB 3.46Å; E695-K703 WeakPolarHBondContact OE2-CD 3.46Å; L700-K703 HydrophobicContact CB-CB 4.39Å; L700-K703 HydrophobicContact CB-CD 4.49Å; L700-K703 HydrophobicContact CD1-CD 4.01Å; L700-K703 PolarHBondContact O-N 2.87Å; K703-E706 PolarHBondContact O-N 3.34Å; K703-A707 WeakPolarHBondContact O-CB 3.29Å; K703-A707 PolarHBondContact O-N 2.96Å
704	A	85.3	Confident	84.6	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-61.8	-43.1	171.5	0	0	0	0	0	111.6	E695 E696 L700 V701 A707 Y708 L728	E695-A704 HydrophobicContact CB-CB 3.75Å; E696-A704 HydrophobicContact CG-CB 4.08Å; L700-A704 PolarHBondContact O-N 3.49Å; L700-A704 VanDerWaalsContact O-N 3.14Å; V701-A704 PolarHBondContact O-N 3.43Å; A704-A707 PolarHBondContact O-N 3.44Å; A704-Y708 WeakPolarHBondContact O-CD2 3.44Å; A704-Y708 PolarHBondContact O-N 3.04Å; A704-L728 HydrophobicContact CB-CD2 3.8Å
705	R	86	Confident	84.4	Confident	34 Å²	34	66.1 Å²	66.1	13%	0.128	31%	0.31	C	S	.	.	H	α-helix	trans	-61.9	-43.5	173.9	-70.3	-179.9	-154.3	147.8	14	111.8	V701 E702 Y708 N709 L728 E729	V701-R705 WeakPolarHBondContact O-CG 3.35Å; V701-R705 PolarHBondContact O-N 3.3Å; E702-R705 WeakPolarHBondContact O-CB 3.44Å; E702-R705 PolarHBondContact O-N 2.9Å; E702-R705 IonicContact OE1-CZ 3.9Å; E702-R705 VanDerWaalsContact OE1-CZ 3.27Å; E702-R705 IonicContact OE1-NH1 3.59Å; E702-R705 PolarHBondContact OE1-NH1 2.92Å; E702-R705 IonicContact OE1-NH2 3.8Å; E702-R705 PolarHBondContact OE1-NH2 3.42Å; E702-R705 IonicContact OE2-CZ 3.71Å; E702-R705 IonicContact OE2-NH1 2.82Å; E702-R705 PolarHBondContact OE2-NH1 2.75Å; R705-Y708 PolarHBondContact O-N 3.4Å; R705-N709 WeakPolarHBondContact O-CB 3.35Å; R705-N709 PolarHBondContact O-N 3.45Å; R705-L728 HydrophobicContact CG-CD2 3.76Å; R705-E729 WeakPolarHBondContact CD-OE1 3.13Å; R705-E729 IonicContact NE-OE1 3.53Å; R705-E729 IonicContact NE-OE2 2.79Å
706	E	88.6	Confident	84.2	Confident	131 Å²	131	67.1 Å²	67.1	61%	0.612	32%	0.318	S	S	*	.	H	α-helix	trans	-60.8	-47.5	176.7	-174	177.5	-172.8	0	0	111.2	E702 K703 Y708 N709 Q710	E702-E706 PolarHBondContact O-N 3.13Å; K703-E706 PolarHBondContact O-N 3.34Å; E706-Y708 PolarHBondContact O-N 2.72Å; E706-N709 PolarHBondContact O-N 2.98Å; E706-Q710 VanDerWaalsContact O-CB 3.24Å; E706-Q710 WeakPolarHBondContact O-CB 3.37Å; E706-Q710 PolarHBondContact O-N 2.88Å
707	A	87.7	Confident	84.2	Confident	2 Å²	2	71.4 Å²	71.4	2%	0.017	34%	0.338	C	S	.	.	H	α-helix	trans	-59.9	-46	178.2	0	0	0	0	0	112	W688 K691 K703 A704 G711	W688-A707 VanDerWaalsContact CE3-O 3.24Å; K691-A707 HydrophobicContact CD-CB 4.11Å; K691-A707 HydrophobicContact CG-CB 4.01Å; K703-A707 WeakPolarHBondContact O-CB 3.29Å; K703-A707 PolarHBondContact O-N 2.96Å; A704-A707 PolarHBondContact O-N 3.44Å; A707-G711 PolarHBondContact O-N 2.97Å
708	Y	88.8	Confident	84.3	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-67.4	-41.1	176.7	-68.6	-34.9	0	0	0	112.5	G692 Q693 E696 A704 R705 E706 G711 L712 L721 L724 L725 L728	G692-Y708 VanDerWaalsContact C-OH 3.27Å; G692-Y708 VanDerWaalsContact CA-CE1 3.48Å; Q693-Y708 PolarHBondContact N-OH 3.14Å; E696-Y708 WeakPolarHBondContact OE1-CE2 3.48Å; E696-Y708 PolarHBondContact OE1-OH 2.96Å; A704-Y708 WeakPolarHBondContact O-CD2 3.44Å; A704-Y708 PolarHBondContact O-N 3.04Å; R705-Y708 PolarHBondContact O-N 3.4Å; E706-Y708 PolarHBondContact O-N 2.72Å; Y708-G711 CarbonylContact O-C 3.59Å; Y708-G711 PolarHBondContact O-N 3.02Å; Y708-L712 WeakPolarHBondContact O-CB 3.48Å; Y708-L712 VanDerWaalsContact O-CG 3.22Å; Y708-L712 WeakPolarHBondContact O-CG 3.17Å; Y708-L712 PolarHBondContact O-N 3.24Å; Y708-L721 HydrophobicContact CD1-CD1 3.53Å; Y708-L721 HydrophobicContact CE1-CD1 4.15Å; Y708-L721 HydrophobicContact CG-CD1 4.37Å; Y708-L724 HydrophobicContact CE1-CB 4.2Å; Y708-L724 HydrophobicContact CE1-CD1 4.49Å; Y708-L724 HydrophobicContact CE2-CB 4.35Å; Y708-L725 HydrophobicContact CD2-CB 4.41Å; Y708-L725 HydrophobicContact CD2-CD1 4.18Å; Y708-L728 HydrophobicContact CD2-CD2 3.77Å; Y708-L728 HydrophobicContact CE2-CB 4.3Å; Y708-L728 HydrophobicContact CE2-CD2 3.74Å
709	N	88.9	Confident	84.4	Confident	95 Å²	95	64.6 Å²	64.6	51%	0.508	31%	0.309	S	S	.	.	H	α-helix	trans	-68.6	-39.6	179.9	-165.8	18.1	0	0	0	111.7	R705 E706 G711 L712 K713	R705-N709 WeakPolarHBondContact O-CB 3.35Å; R705-N709 PolarHBondContact O-N 3.45Å; E706-N709 PolarHBondContact O-N 2.98Å; N709-G711 VanDerWaalsContact C-N 3.34Å; N709-L712 PolarHBondContact O-N 3.2Å; N709-K713 WeakPolarHBondContact O-CB 3.29Å; N709-K713 PolarHBondContact O-N 3.17Å
710	Q	87.3	Confident	84.9	Confident	74 Å²	74	59.3 Å²	59.3	35%	0.346	29%	0.29	S	S	.	.	H	α-helix	trans	-63.3	-43.5	172.2	-169.3	179.7	27.6	0	0	110.8	W688 E706 K713 K714	W688-Q710 HydrophobicContact CH2-CB 4.29Å; W688-Q710 HydrophobicContact CH2-CG 3.74Å; W688-Q710 HydrophobicContact CZ2-CG 4.49Å; W688-Q710 HydrophobicContact CZ3-CB 4.01Å; W688-Q710 HydrophobicContact CZ3-CG 3.97Å; W688-Q710 VanDerWaalsContact CZ3-OE1 3.26Å; E706-Q710 VanDerWaalsContact O-CB 3.24Å; E706-Q710 WeakPolarHBondContact O-CB 3.37Å; E706-Q710 PolarHBondContact O-N 2.88Å; Q710-K713 PolarHBondContact O-N 3.26Å; Q710-K714 WeakPolarHBondContact O-CG 3.48Å; Q710-K714 PolarHBondContact O-N 3.35Å; Q710-K714 VanDerWaalsContact O-N 3.16Å
711	G	85.6	Confident	85.1	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-55.2	-53.4	171.5	0	0	0	0	0	111.4	W688 A707 Y708 N709 K713 K714 C715	W688-G711 VanDerWaalsContact CD2-CA 3.48Å; A707-G711 PolarHBondContact O-N 2.97Å; Y708-G711 CarbonylContact O-C 3.59Å; Y708-G711 PolarHBondContact O-N 3.02Å; N709-G711 VanDerWaalsContact C-N 3.34Å; G711-K713 VanDerWaalsContact C-N 3.29Å; G711-K713 PolarHBondContact O-N 3.18Å; G711-K714 CarbonylContact O-C 3.47Å; G711-K714 PolarHBondContact O-N 2.7Å; G711-C715 PolarHBondContact O-N 3.41Å; G711-C715 PolarHBondContact O-SG 3.1Å
712	L	85.4	Confident	85.5	Confident	7 Å²	7	54.7 Å²	54.7	4%	0.037	26%	0.263	C	S	.	.	H	α-helix	trans	-64.4	-29.6	-178.8	-71.2	172.4	0	0	0	114	Y708 N709 K714 P716 L721 W722 L725	Y708-L712 WeakPolarHBondContact O-CB 3.48Å; Y708-L712 VanDerWaalsContact O-CG 3.22Å; Y708-L712 WeakPolarHBondContact O-CG 3.17Å; Y708-L712 PolarHBondContact O-N 3.24Å; N709-L712 PolarHBondContact O-N 3.2Å; L712-K714 VanDerWaalsContact C-N 3.34Å; L712-P716 VanDerWaalsContact O-CA 3.31Å; L712-P716 WeakPolarHBondContact O-CA 3.41Å; L712-L721 HydrophobicContact CD2-CB 3.93Å; L712-L721 HydrophobicContact CD2-CD2 3.75Å; L712-L721 HydrophobicContact CD2-CG 3.65Å; L712-L721 HydrophobicContact CG-CD2 3.94Å; L712-L721 HydrophobicContact CG-CG 3.91Å; L712-W722 HydrophobicContact CB-CH2 4.31Å; L712-W722 HydrophobicContact CB-CZ2 4.24Å; L712-W722 HydrophobicContact CD1-CD2 3.89Å; L712-W722 HydrophobicContact CD1-CE3 3.55Å; L712-W722 HydrophobicContact CD1-CH2 4.11Å; L712-W722 HydrophobicContact CD1-CZ2 4.42Å; L712-W722 HydrophobicContact CD1-CZ3 3.68Å; L712-W722 HydrophobicContact CD2-CB 4.43Å; L712-W722 HydrophobicContact CD2-CD2 3.43Å; L712-W722 VanDerWaalsContact CD2-CD2 3.43Å; L712-W722 VanDerWaalsContact CD2-CE2 3.41Å; L712-W722 HydrophobicContact CD2-CE3 4.03Å; L712-W722 HydrophobicContact CD2-CG 3.61Å; L712-W722 HydrophobicContact CD2-CH2 4.46Å; L712-W722 HydrophobicContact CD2-CZ2 3.95Å; L712-W722 HydrophobicContact CG-CD2 4.23Å; L712-W722 HydrophobicContact CG-CE3 4.36Å; L712-W722 HydrophobicContact CG-CZ2 4.44Å; L712-L725 HydrophobicContact CD1-CB 4.14Å; L712-L725 HydrophobicContact CD1-CD2 3.31Å; L712-L725 HydrophobicContact CD1-CG 4.35Å
713	K	86.5	Confident	85.7	Confident	184 Å²	184	49.9 Å²	49.9	80%	0.8	24%	0.241	S	C	*	.	H	α-helix	trans	-67.8	-36.8	172.9	-172	176.3	179.9	-178.8	0	111.5	N709 Q710 G711	N709-K713 WeakPolarHBondContact O-CB 3.29Å; N709-K713 PolarHBondContact O-N 3.17Å; Q710-K713 PolarHBondContact O-N 3.26Å; G711-K713 VanDerWaalsContact C-N 3.29Å; G711-K713 PolarHBondContact O-N 3.18Å
714	K	84	Confident	85.8	Confident	72 Å²	72	46 Å²	46	31%	0.313	23%	0.226	S	C	.	.	H	α-helix	trans	-86.4	-40.5	-179.3	-65.1	-168.3	-175.4	-169.5	0	113	E682 W688 Q710 G711 L712 P716	E682-K714 HydrophobicContact CB-CD 4.11Å; E682-K714 IonicContact OE1-NZ 2.94Å; E682-K714 PolarHBondContact OE1-NZ 3.3Å; E682-K714 IonicContact OE2-NZ 3.3Å; E682-K714 PolarHBondContact OE2-NZ 3.5Å; W688-K714 HydrophobicContact CZ2-CD 3.94Å; Q710-K714 WeakPolarHBondContact O-CG 3.48Å; Q710-K714 PolarHBondContact O-N 3.35Å; Q710-K714 VanDerWaalsContact O-N 3.16Å; G711-K714 CarbonylContact O-C 3.47Å; G711-K714 PolarHBondContact O-N 2.7Å; L712-K714 VanDerWaalsContact C-N 3.34Å; K714-P716 VanDerWaalsContact C-CD 3.45Å; K714-P716 VanDerWaalsContact O-CD 3.26Å; K714-P716 WeakPolarHBondContact O-CD 3.46Å
715	C	80.4	Confident	86	Confident	9 Å²	9	46.2 Å²	46.2	6%	0.061	23%	0.226	C	C	.	.			trans	-119.7	72.2	179.7	61.8	0	0	0	0	111.8	P685 G711 H717 S718 L721	P685-C715 HydrophobicContact CB-CB 4.23Å; G711-C715 PolarHBondContact O-N 3.41Å; G711-C715 PolarHBondContact O-SG 3.1Å; C715-H717 VanDerWaalsContact C-N 3.26Å; C715-H717 PolarHBondContact O-N 3.05Å; C715-S718 PolarHBondContact O-N 3.44Å; C715-S718 PolarHBondContact O-OG 3.35Å; C715-S718 VanDerWaalsContact O-OG 3.07Å; C715-L721 WeakPolarHBondContact SG-CD2 3.38Å
716	P	79.3	Confident	86.1	Confident	38 Å²	38	44.8 Å²	44.8	25%	0.247	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-21.6	-172.9	27.2	-35.4	0	0	0	114	L712 K714 W722 N749	L712-P716 VanDerWaalsContact O-CA 3.31Å; L712-P716 WeakPolarHBondContact O-CA 3.41Å; K714-P716 VanDerWaalsContact C-CD 3.45Å; K714-P716 VanDerWaalsContact O-CD 3.26Å; K714-P716 WeakPolarHBondContact O-CD 3.46Å; P716-W722 PolarHBondContact O-NE1 3.43Å; P716-N749 PolarHBondContact O-ND2 3.35Å
717	H	82.9	Confident	86	Confident	136 Å²	136	41.8 Å²	41.8	63%	0.63	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-4.6	-175.9	-62.3	-54.4	0	0	0	114.7	C715 I719 N749	C715-H717 VanDerWaalsContact C-N 3.26Å; C715-H717 PolarHBondContact O-N 3.05Å; H717-I719 PolarHBondContact O-N 3.36Å; H717-N749 WeakPolarHBondContact CA-OD1 3.45Å; H717-N749 PolarHBondContact ND1-OD1 3.17Å
718	S	82.1	Confident	86	Confident	15 Å²	15	42 Å²	42	11%	0.105	21%	0.206	C	C	.	.			trans	-83.5	105.4	-176.7	67.3	0	0	0	0	112.4	P685 C715 L721	P685-S718 VanDerWaalsContact CB-CB 3.4Å; P685-S718 WeakPolarHBondContact CB-OG 3.12Å; C715-S718 PolarHBondContact O-N 3.44Å; C715-S718 PolarHBondContact O-OG 3.35Å; C715-S718 VanDerWaalsContact O-OG 3.07Å; S718-L721 PolarHBondContact O-N 2.89Å; S718-L721 WeakPolarHBondContact OG-CB 3.5Å
719	I	84.2	Confident	85.9	Confident	33 Å²	33	42.1 Å²	42.1	17%	0.169	21%	0.206	C	C	.	.	H	α-helix	trans	-59.9	-48.8	-178.5	-58.5	125.2	0	0	0	113.2	H717 L721 W722 L723 N752 D754 L755	H717-I719 PolarHBondContact O-N 3.36Å; I719-L721 PolarHBondContact O-N 3.15Å; I719-L721 VanDerWaalsContact O-N 3.13Å; I719-W722 WeakPolarHBondContact O-CB 3.48Å; I719-W722 PolarHBondContact O-N 2.98Å; I719-L723 HydrophobicContact CG2-CD1 4.32Å; I719-L723 HydrophobicContact CG2-CG 4.3Å; I719-L723 WeakPolarHBondContact O-CG 3.35Å; I719-L723 PolarHBondContact O-N 2.78Å; I719-L723 VanDerWaalsContact O-N 3.11Å; I719-N752 WeakPolarHBondContact CD1-ND2 3.46Å; I719-N752 VanDerWaalsContact CG1-ND2 3.32Å; I719-N752 WeakPolarHBondContact CG1-ND2 3.39Å; I719-D754 HydrophobicContact CG2-CB 3.63Å; I719-L755 HydrophobicContact CB-CD2 4.47Å; I719-L755 HydrophobicContact CG1-CG 4.49Å; I719-L755 HydrophobicContact CG2-CD2 3.7Å; I719-L755 HydrophobicContact CG2-CG 3.91Å
720	P	86.2	Confident	85.8	Confident	61 Å²	61	39.9 Å²	39.9	40%	0.396	19%	0.193	S	C	.	.	H	α-helix	trans	-65.3	-24.8	-173	-22	36.1	0	0	0	113.2	M689 L723 L724	M689-P720 HydrophobicContact CE-CB 4.3Å; M689-P720 HydrophobicContact SD-CB 3.75Å; P720-L723 PolarHBondContact O-N 3.49Å; P720-L724 WeakPolarHBondContact O-CG 3.22Å; P720-L724 PolarHBondContact O-N 2.76Å
721	L	87.6	Confident	85.6	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-71	-39.5	175.8	-172.1	62.3	0	0	0	111.4	W688 M689 Y708 L712 C715 S718 I719 L723 L724 L725	W688-L721 HydrophobicContact CB-CD1 4.24Å; W688-L721 HydrophobicContact CB-CD2 4.25Å; M689-L721 HydrophobicContact CG-CB 4.33Å; M689-L721 HydrophobicContact CG-CD1 3.73Å; Y708-L721 HydrophobicContact CD1-CD1 3.53Å; Y708-L721 HydrophobicContact CE1-CD1 4.15Å; Y708-L721 HydrophobicContact CG-CD1 4.37Å; L712-L721 HydrophobicContact CD2-CB 3.93Å; L712-L721 HydrophobicContact CD2-CD2 3.75Å; L712-L721 HydrophobicContact CD2-CG 3.65Å; L712-L721 HydrophobicContact CG-CD2 3.94Å; L712-L721 HydrophobicContact CG-CG 3.91Å; C715-L721 WeakPolarHBondContact SG-CD2 3.38Å; S718-L721 PolarHBondContact O-N 2.89Å; S718-L721 WeakPolarHBondContact OG-CB 3.5Å; I719-L721 PolarHBondContact O-N 3.15Å; I719-L721 VanDerWaalsContact O-N 3.13Å; L721-L723 VanDerWaalsContact C-N 3.3Å; L721-L723 PolarHBondContact O-N 3.17Å; L721-L724 PolarHBondContact O-N 3.05Å; L721-L725 PolarHBondContact O-N 3.36Å
722	W	89.4	Confident	85.6	Confident	19 Å²	19	46.5 Å²	46.5	7%	0.072	23%	0.225	C	C	.	.	H	α-helix	trans	-62	-39.4	171.1	-72.8	108.2	0	0	0	111.6	L712 P716 I719 L725 S726 I741 K744 S745 K748 L755	L712-W722 HydrophobicContact CB-CH2 4.31Å; L712-W722 HydrophobicContact CB-CZ2 4.24Å; L712-W722 HydrophobicContact CD1-CD2 3.89Å; L712-W722 HydrophobicContact CD1-CE3 3.55Å; L712-W722 HydrophobicContact CD1-CH2 4.11Å; L712-W722 HydrophobicContact CD1-CZ2 4.42Å; L712-W722 HydrophobicContact CD1-CZ3 3.68Å; L712-W722 HydrophobicContact CD2-CB 4.43Å; L712-W722 HydrophobicContact CD2-CD2 3.43Å; L712-W722 VanDerWaalsContact CD2-CD2 3.43Å; L712-W722 VanDerWaalsContact CD2-CE2 3.41Å; L712-W722 HydrophobicContact CD2-CE3 4.03Å; L712-W722 HydrophobicContact CD2-CG 3.61Å; L712-W722 HydrophobicContact CD2-CH2 4.46Å; L712-W722 HydrophobicContact CD2-CZ2 3.95Å; L712-W722 HydrophobicContact CG-CD2 4.23Å; L712-W722 HydrophobicContact CG-CE3 4.36Å; L712-W722 HydrophobicContact CG-CZ2 4.44Å; P716-W722 PolarHBondContact O-NE1 3.43Å; I719-W722 WeakPolarHBondContact O-CB 3.48Å; I719-W722 PolarHBondContact O-N 2.98Å; W722-L725 PolarHBondContact O-N 2.85Å; W722-S726 WeakPolarHBondContact O-CB 3.42Å; W722-S726 PolarHBondContact O-N 3.45Å; W722-I741 HydrophobicContact CE3-CG2 3.72Å; W722-I741 HydrophobicContact CZ3-CG2 3.93Å; W722-K744 HydrophobicContact CH2-CB 4.44Å; W722-K744 HydrophobicContact CZ3-CB 4.36Å; W722-S745 VanDerWaalsContact CE3-CB 3.5Å; W722-S745 VanDerWaalsContact CG-CB 3.46Å; W722-K748 HydrophobicContact CZ2-CG 4.47Å; W722-L755 HydrophobicContact CB-CD2 3.92Å
723	L	88.6	Confident	85.4	Confident	26 Å²	26	48.9 Å²	48.9	14%	0.136	25%	0.251	C	S	.	.	H	α-helix	trans	-65.3	-45.1	177.2	-58.7	-172.3	0	0	0	112	I719 P720 L721 S726 R727 L742 L755 E758	I719-L723 HydrophobicContact CG2-CD1 4.32Å; I719-L723 HydrophobicContact CG2-CG 4.3Å; I719-L723 WeakPolarHBondContact O-CG 3.35Å; I719-L723 PolarHBondContact O-N 2.78Å; I719-L723 VanDerWaalsContact O-N 3.11Å; P720-L723 PolarHBondContact O-N 3.49Å; L721-L723 VanDerWaalsContact C-N 3.3Å; L721-L723 PolarHBondContact O-N 3.17Å; L723-S726 PolarHBondContact O-N 3.44Å; L723-R727 WeakPolarHBondContact O-CB 3.44Å; L723-R727 VanDerWaalsContact O-CG 3.29Å; L723-R727 WeakPolarHBondContact O-CG 3.49Å; L723-R727 PolarHBondContact O-N 2.96Å; L723-L742 HydrophobicContact CD2-CD2 4.42Å; L723-L755 HydrophobicContact CD2-CD2 3.89Å; L723-E758 HydrophobicContact CD1-CG 4.03Å; L723-E758 HydrophobicContact CD2-CB 3.48Å; L723-E758 VanDerWaalsContact CD2-CB 3.48Å; L723-E758 HydrophobicContact CD2-CG 3.45Å; L723-E758 VanDerWaalsContact CD2-CG 3.45Å; L723-E758 HydrophobicContact CG-CG 4.26Å
724	L	87.8	Confident	85.5	Confident	31 Å²	31	45.1 Å²	45.1	16%	0.162	24%	0.236	C	C	.	.	H	α-helix	trans	-60.5	-45	176.2	-78.4	160.1	0	0	0	111.7	M689 Q693 Y708 P720 L721 S726 R727 L728	M689-L724 HydrophobicContact CB-CD1 3.74Å; M689-L724 HydrophobicContact CG-CD1 3.42Å; M689-L724 VanDerWaalsContact CG-CD1 3.42Å; M689-L724 HydrophobicContact SD-CD1 3.5Å; M689-L724 VanDerWaalsContact SD-CD1 3.5Å; Q693-L724 HydrophobicContact CG-CD2 4.4Å; Y708-L724 HydrophobicContact CE1-CB 4.2Å; Y708-L724 HydrophobicContact CE1-CD1 4.49Å; Y708-L724 HydrophobicContact CE2-CB 4.35Å; P720-L724 WeakPolarHBondContact O-CG 3.22Å; P720-L724 PolarHBondContact O-N 2.76Å; L721-L724 PolarHBondContact O-N 3.05Å; L724-S726 PolarHBondContact O-N 3.23Å; L724-R727 PolarHBondContact O-N 3.49Å; L724-L728 WeakPolarHBondContact O-CB 3.07Å; L724-L728 PolarHBondContact O-N 3.15Å
725	L	88.8	Confident	85.7	Confident	3 Å²	3	43.9 Å²	43.9	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-63.4	-42.1	176.5	-178.9	60.2	0	0	0	111.8	Y708 L712 L721 W722 L728 E729 I741	Y708-L725 HydrophobicContact CD2-CB 4.41Å; Y708-L725 HydrophobicContact CD2-CD1 4.18Å; L712-L725 HydrophobicContact CD1-CB 4.14Å; L712-L725 HydrophobicContact CD1-CD2 3.31Å; L712-L725 HydrophobicContact CD1-CG 4.35Å; L721-L725 PolarHBondContact O-N 3.36Å; W722-L725 PolarHBondContact O-N 2.85Å; L725-L728 PolarHBondContact O-N 3.39Å; L725-E729 HydrophobicContact CD1-CG 4.17Å; L725-E729 WeakPolarHBondContact O-CG 3.48Å; L725-E729 PolarHBondContact O-N 2.98Å; L725-I741 HydrophobicContact CB-CG2 4.41Å; L725-I741 HydrophobicContact CD2-CD1 4.04Å; L725-I741 HydrophobicContact CD2-CG1 4.23Å; L725-I741 HydrophobicContact CD2-CG2 3.75Å; L725-I741 HydrophobicContact CG-CG2 3.99Å
726	S	87.8	Confident	86.1	Confident	4 Å²	4	47.9 Å²	47.9	3%	0.028	26%	0.257	C	S	.	.	H	α-helix	trans	-61.2	-47.3	176.1	-176.8	0	0	0	0	112.3	W722 L723 L724 L728 E729 E730 L742	W722-S726 WeakPolarHBondContact O-CB 3.42Å; W722-S726 PolarHBondContact O-N 3.45Å; L723-S726 PolarHBondContact O-N 3.44Å; L724-S726 PolarHBondContact O-N 3.23Å; S726-L728 VanDerWaalsContact C-N 3.32Å; S726-L728 PolarHBondContact O-N 2.84Å; S726-E729 PolarHBondContact O-N 3.32Å; S726-E730 WeakPolarHBondContact O-CB 3.47Å; S726-E730 PolarHBondContact O-N 3.02Å; S726-L742 WeakPolarHBondContact OG-CD1 3.42Å; S726-L742 VanDerWaalsContact OG-CG 3.3Å; S726-L742 WeakPolarHBondContact OG-CG 3.3Å
727	R	86.8	Confident	86.5	Confident	69 Å²	69	52.1 Å²	52.1	26%	0.26	27%	0.268	S	S	.	.	H	α-helix	trans	-64.5	-35.2	177.7	-70.1	175.1	-174.7	-164.9	0.7	112	L723 L724 K731 E758 E886	L723-R727 WeakPolarHBondContact O-CB 3.44Å; L723-R727 VanDerWaalsContact O-CG 3.29Å; L723-R727 WeakPolarHBondContact O-CG 3.49Å; L723-R727 PolarHBondContact O-N 2.96Å; L724-R727 PolarHBondContact O-N 3.49Å; R727-K731 VanDerWaalsContact O-CG 3.32Å; R727-K731 WeakPolarHBondContact O-CG 3.4Å; R727-K731 PolarHBondContact O-N 3.3Å; R727-E758 IonicContact CZ-OE1 2.64Å; R727-E758 IonicContact NE-OE1 2.76Å; R727-E758 PolarHBondContact NE-OE1 2.89Å; R727-E758 IonicContact NH2-OE1 2.85Å; R727-E758 PolarHBondContact NH2-OE1 2.84Å; R727-E886 IonicContact CZ-OE1 3.9Å; R727-E886 IonicContact NH2-OE1 2.83Å; R727-E886 PolarHBondContact NH2-OE1 3.11Å
728	L	88.1	Confident	86.8	Confident	6 Å²	6	45.7 Å²	45.7	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-64.7	-49.4	174.7	-177.8	63.3	0	0	0	111.4	E696 V701 A704 R705 Y708 L724 L725 S726 E730 K731 V732	E696-L728 HydrophobicContact CG-CD1 3.69Å; V701-L728 HydrophobicContact CG1-CD1 4.01Å; V701-L728 HydrophobicContact CG1-CD2 4.44Å; V701-L728 HydrophobicContact CG1-CG 4.29Å; A704-L728 HydrophobicContact CB-CD2 3.8Å; R705-L728 HydrophobicContact CG-CD2 3.76Å; Y708-L728 HydrophobicContact CD2-CD2 3.77Å; Y708-L728 HydrophobicContact CE2-CB 4.3Å; Y708-L728 HydrophobicContact CE2-CD2 3.74Å; L724-L728 WeakPolarHBondContact O-CB 3.07Å; L724-L728 PolarHBondContact O-N 3.15Å; L725-L728 PolarHBondContact O-N 3.39Å; S726-L728 VanDerWaalsContact C-N 3.32Å; S726-L728 PolarHBondContact O-N 2.84Å; L728-E730 VanDerWaalsContact C-N 3.27Å; L728-E730 PolarHBondContact O-N 2.88Å; L728-K731 PolarHBondContact O-N 3.39Å; L728-V732 VanDerWaalsContact O-CG2 3.26Å; L728-V732 WeakPolarHBondContact O-CG2 3.34Å; L728-V732 PolarHBondContact O-N 3.22Å
729	E	87.3	Confident	87.1	Confident	3 Å²	3	48.6 Å²	48.6	1%	0.014	25%	0.247	C	C	.	.	H	α-helix	trans	-66.4	-31.1	179.4	-67.6	-75.9	-162.6	0	0	112.1	R705 L725 S726 V732 G733 Q734 R737 A738	R705-E729 WeakPolarHBondContact CD-OE1 3.13Å; R705-E729 IonicContact NE-OE1 3.53Å; R705-E729 IonicContact NE-OE2 2.79Å; L725-E729 HydrophobicContact CD1-CG 4.17Å; L725-E729 WeakPolarHBondContact O-CG 3.48Å; L725-E729 PolarHBondContact O-N 2.98Å; S726-E729 PolarHBondContact O-N 3.32Å; E729-V732 PolarHBondContact O-N 3.43Å; E729-G733 PolarHBondContact O-N 2.64Å; E729-Q734 PolarHBondContact O-N 3.05Å; E729-Q734 VanDerWaalsContact O-N 3.13Å; E729-R737 WeakPolarHBondContact OE1-CD 3.5Å; E729-R737 IonicContact OE1-CZ 3.95Å; E729-R737 IonicContact OE1-NE 2.86Å; E729-R737 PolarHBondContact OE1-NE 3.33Å; E729-R737 IonicContact OE1-NH2 2.78Å; E729-R737 IonicContact OE2-NE 2.63Å; E729-A738 HydrophobicContact CB-CB 3.95Å
730	E	86.4	Confident	87.4	Confident	48 Å²	48	48.9 Å²	48.9	22%	0.224	25%	0.254	C	S	.	.	H	α-helix	trans	-65.9	-46.3	170.4	-176.4	-175.6	171.6	0	0	112	S726 L728 V732 G733 R765	S726-E730 WeakPolarHBondContact O-CB 3.47Å; S726-E730 PolarHBondContact O-N 3.02Å; L728-E730 VanDerWaalsContact C-N 3.27Å; L728-E730 PolarHBondContact O-N 2.88Å; E730-V732 PolarHBondContact O-N 2.65Å; E730-G733 WeakPolarHBondContact O-CA 3.4Å; E730-G733 PolarHBondContact O-N 2.88Å; E730-R765 VanDerWaalsContact CD-NH1 3.25Å; E730-R765 VanDerWaalsContact OE1-CD 3.26Å; E730-R765 WeakPolarHBondContact OE1-CD 3.38Å; E730-R765 IonicContact OE1-CZ 3.69Å; E730-R765 IonicContact OE1-NH1 2.88Å; E730-R765 PolarHBondContact OE1-NH1 3.42Å; E730-R765 IonicContact OE2-CZ 2.76Å; E730-R765 IonicContact OE2-NH1 3.69Å; E730-R765 PolarHBondContact OE2-NH1 3.39Å
731	K	82.5	Confident	87.6	Confident	160 Å²	160	46.9 Å²	46.9	70%	0.696	24%	0.24	S	C	*	.	H	α-helix	trans	-60.2	-33.2	175.3	-76.7	177.7	-177.6	178.9	0	112.6	E696 R727 L728 G733	E696-K731 IonicContact OE2-NZ 3.66Å; R727-K731 VanDerWaalsContact O-CG 3.32Å; R727-K731 WeakPolarHBondContact O-CG 3.4Å; R727-K731 PolarHBondContact O-N 3.3Å; L728-K731 PolarHBondContact O-N 3.39Å; K731-G733 PolarHBondContact O-N 3.05Å
732	V	85.6	Confident	87.6	Confident	53 Å²	53	47 Å²	47	32%	0.321	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-16.5	175.5	169.9	0	0	0	0	112.4	V701 L728 E729 E730 Q734	V701-V732 HydrophobicContact CG1-CG2 3.42Å; V701-V732 VanDerWaalsContact CG1-CG2 3.42Å; L728-V732 VanDerWaalsContact O-CG2 3.26Å; L728-V732 WeakPolarHBondContact O-CG2 3.34Å; L728-V732 PolarHBondContact O-N 3.22Å; E729-V732 PolarHBondContact O-N 3.43Å; E730-V732 PolarHBondContact O-N 2.65Å; V732-Q734 HydrophobicContact CG1-CG 4.19Å
733	G	82.2	Confident	87.6	Confident	57 Å²	57	51.8 Å²	51.8	59%	0.588	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.1	2.3	-179.8	0	0	0	0	0	114.5	E729 E730 K731 L735	E729-G733 PolarHBondContact O-N 2.64Å; E730-G733 WeakPolarHBondContact O-CA 3.4Å; E730-G733 PolarHBondContact O-N 2.88Å; K731-G733 PolarHBondContact O-N 3.05Å; G733-L735 PolarHBondContact O-N 3.01Å; G733-L735 VanDerWaalsContact O-N 3.15Å
734	Q	86.9	Confident	87.6	Confident	105 Å²	105	56.4 Å²	56.4	49%	0.491	28%	0.283	S	S	.	.			trans	-90	70.5	178.1	-69.7	-65.7	-16.9	0	0	111.2	E729 V732 T736 R737 A738	E729-Q734 PolarHBondContact O-N 3.05Å; E729-Q734 VanDerWaalsContact O-N 3.13Å; V732-Q734 HydrophobicContact CG1-CG 4.19Å; Q734-T736 VanDerWaalsContact C-N 3.33Å; Q734-T736 PolarHBondContact O-N 3.23Å; Q734-R737 HydrophobicContact CB-CB 4.13Å; Q734-R737 WeakPolarHBondContact O-CB 3.48Å; Q734-R737 PolarHBondContact O-N 3.43Å; Q734-R737 VanDerWaalsContact O-N 3.15Å; Q734-A738 PolarHBondContact O-N 3.26Å; Q734-A738 VanDerWaalsContact O-N 3.12Å
735	L	88.6	Confident	87.5	Confident	45 Å²	45	55 Å²	55	24%	0.236	28%	0.275	C	S	.	.	H	α-helix	trans	-63.3	-34.3	-172.4	-167.4	133.6	0	0	0	113.8	G733 R737 A738 R739 L762 A766	G733-L735 PolarHBondContact O-N 3.01Å; G733-L735 VanDerWaalsContact O-N 3.15Å; L735-R737 VanDerWaalsContact C-N 3.32Å; L735-R737 PolarHBondContact O-N 3.11Å; L735-A738 PolarHBondContact O-N 2.87Å; L735-R739 HydrophobicContact CD2-CG 4.4Å; L735-R739 WeakPolarHBondContact O-CG 3.4Å; L735-R739 PolarHBondContact O-N 3.14Å; L735-L762 HydrophobicContact CD1-CD2 4.27Å; L735-L762 HydrophobicContact CD2-CD2 4.02Å; L735-L762 HydrophobicContact CG-CD2 3.98Å; L735-A766 HydrophobicContact CD1-CB 3.58Å; L735-A766 HydrophobicContact CD2-CB 4.2Å
736	T	89.4	Confident	87.3	Confident	94 Å²	94	56.9 Å²	56.9	58%	0.577	28%	0.282	S	S	*	.	H	α-helix	trans	-65	-37.2	176.8	52.8	0	0	0	0	112.1	Q734 R739 A740	Q734-T736 VanDerWaalsContact C-N 3.33Å; Q734-T736 PolarHBondContact O-N 3.23Å; T736-R739 WeakPolarHBondContact O-CB 3.46Å; T736-R739 PolarHBondContact O-N 2.86Å; T736-A740 PolarHBondContact O-N 3.04Å
737	R	87.8	Confident	87.4	Confident	127 Å²	127	63.7 Å²	63.7	48%	0.479	32%	0.318	S	S	.	.	H	α-helix	trans	-69.8	-42.8	176.2	-172.8	171.7	174.2	135.1	1.9	110.7	E729 Q734 L735 R739 A740 I741	E729-R737 WeakPolarHBondContact OE1-CD 3.5Å; E729-R737 IonicContact OE1-CZ 3.95Å; E729-R737 IonicContact OE1-NE 2.86Å; E729-R737 PolarHBondContact OE1-NE 3.33Å; E729-R737 IonicContact OE1-NH2 2.78Å; E729-R737 IonicContact OE2-NE 2.63Å; Q734-R737 HydrophobicContact CB-CB 4.13Å; Q734-R737 WeakPolarHBondContact O-CB 3.48Å; Q734-R737 PolarHBondContact O-N 3.43Å; Q734-R737 VanDerWaalsContact O-N 3.15Å; L735-R737 VanDerWaalsContact C-N 3.32Å; L735-R737 PolarHBondContact O-N 3.11Å; R737-R739 VanDerWaalsContact C-N 3.33Å; R737-R739 PolarHBondContact O-N 3.42Å; R737-A740 WeakPolarHBondContact O-CB 3.26Å; R737-A740 PolarHBondContact O-N 2.84Å; R737-A740 VanDerWaalsContact O-N 3.11Å; R737-I741 WeakPolarHBondContact O-CG1 3.43Å; R737-I741 PolarHBondContact O-N 3.14Å
738	A	87.9	Confident	87.3	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-58.5	-43	174.4	0	0	0	0	0	112	E729 Q734 L735 A740 I741 L742 L762	E729-A738 HydrophobicContact CB-CB 3.95Å; Q734-A738 PolarHBondContact O-N 3.26Å; Q734-A738 VanDerWaalsContact O-N 3.12Å; L735-A738 PolarHBondContact O-N 2.87Å; A738-A740 PolarHBondContact O-N 3.5Å; A738-I741 PolarHBondContact O-N 3.09Å; A738-L742 PolarHBondContact O-N 3.45Å; A738-L762 HydrophobicContact CB-CD1 3.64Å
739	R	88.4	Confident	87	Confident	76 Å²	76	67.2 Å²	67.2	29%	0.287	34%	0.336	S	S	.	.	H	α-helix	trans	-57.3	-47.8	170.7	-71.6	177.5	-176	146.1	2.7	112.6	L735 T736 R737 I741 L742 E743 L762 E763	L735-R739 HydrophobicContact CD2-CG 4.4Å; L735-R739 WeakPolarHBondContact O-CG 3.4Å; L735-R739 PolarHBondContact O-N 3.14Å; T736-R739 WeakPolarHBondContact O-CB 3.46Å; T736-R739 PolarHBondContact O-N 2.86Å; R737-R739 VanDerWaalsContact C-N 3.33Å; R737-R739 PolarHBondContact O-N 3.42Å; R739-I741 VanDerWaalsContact C-N 3.29Å; R739-I741 PolarHBondContact O-N 3.48Å; R739-L742 PolarHBondContact O-N 3.35Å; R739-E743 WeakPolarHBondContact O-CB 3.36Å; R739-E743 PolarHBondContact O-N 3.08Å; R739-L762 HydrophobicContact CG-CD2 3.75Å; R739-E763 WeakPolarHBondContact CD-OE1 3.41Å; R739-E763 VanDerWaalsContact CG-OE1 3.31Å; R739-E763 WeakPolarHBondContact CG-OE1 3.5Å; R739-E763 IonicContact CZ-OE1 2.73Å; R739-E763 IonicContact CZ-OE2 2.72Å; R739-E763 VanDerWaalsContact NE-CD 3.31Å; R739-E763 IonicContact NE-OE1 3.05Å; R739-E763 PolarHBondContact NE-OE1 2.88Å; R739-E763 IonicContact NE-OE2 3.72Å; R739-E763 PolarHBondContact NE-OE2 3.18Å; R739-E763 VanDerWaalsContact NE-OE2 3.14Å; R739-E763 IonicContact NH2-OE1 2.7Å; R739-E763 IonicContact NH2-OE2 3.05Å; R739-E763 PolarHBondContact NH2-OE2 2.95Å
740	A	91	Very high	86.7	Confident	40 Å²	40	71.4 Å²	71.4	33%	0.331	36%	0.363	S	S	.	.	H	α-helix	trans	-63.3	-36.1	-179.9	0	0	0	0	0	112.1	T736 R737 A738 K744	T736-A740 PolarHBondContact O-N 3.04Å; R737-A740 WeakPolarHBondContact O-CB 3.26Å; R737-A740 PolarHBondContact O-N 2.84Å; R737-A740 VanDerWaalsContact O-N 3.11Å; A738-A740 PolarHBondContact O-N 3.5Å; A740-K744 WeakPolarHBondContact O-CB 3.36Å; A740-K744 VanDerWaalsContact O-CG 3.23Å; A740-K744 WeakPolarHBondContact O-CG 3.46Å; A740-K744 PolarHBondContact O-N 2.86Å
741	I	90	Very high	86.4	Confident	19 Å²	19	76.4 Å²	76.4	10%	0.097	38%	0.384	C	S	.	.	H	α-helix	trans	-66.5	-46.2	173.9	-67.7	-57.9	0	0	0	110.9	W722 L725 R737 A738 R739 E743 K744 S745	W722-I741 HydrophobicContact CE3-CG2 3.72Å; W722-I741 HydrophobicContact CZ3-CG2 3.93Å; L725-I741 HydrophobicContact CB-CG2 4.41Å; L725-I741 HydrophobicContact CD2-CD1 4.04Å; L725-I741 HydrophobicContact CD2-CG1 4.23Å; L725-I741 HydrophobicContact CD2-CG2 3.75Å; L725-I741 HydrophobicContact CG-CG2 3.99Å; R737-I741 WeakPolarHBondContact O-CG1 3.43Å; R737-I741 PolarHBondContact O-N 3.14Å; A738-I741 PolarHBondContact O-N 3.09Å; R739-I741 VanDerWaalsContact C-N 3.29Å; R739-I741 PolarHBondContact O-N 3.48Å; I741-E743 VanDerWaalsContact C-N 3.35Å; I741-E743 PolarHBondContact O-N 3.11Å; I741-K744 PolarHBondContact O-N 2.95Å; I741-S745 WeakPolarHBondContact O-CB 3.49Å; I741-S745 PolarHBondContact O-N 3.43Å
742	L	88.3	Confident	86.5	Confident	2 Å²	2	70.9 Å²	70.9	1%	0.01	36%	0.362	C	S	.	.	H	α-helix	trans	-65.3	-38	176.6	-73.2	-179.5	0	0	0	112.2	L723 S726 A738 R739 S745 R746 L762	L723-L742 HydrophobicContact CD2-CD2 4.42Å; S726-L742 WeakPolarHBondContact OG-CD1 3.42Å; S726-L742 VanDerWaalsContact OG-CG 3.3Å; S726-L742 WeakPolarHBondContact OG-CG 3.3Å; A738-L742 PolarHBondContact O-N 3.45Å; R739-L742 PolarHBondContact O-N 3.35Å; L742-S745 WeakPolarHBondContact CA-OG 3.42Å; L742-S745 WeakPolarHBondContact O-CB 3.38Å; L742-S745 PolarHBondContact O-N 2.79Å; L742-S745 PolarHBondContact O-OG 2.77Å; L742-R746 WeakPolarHBondContact O-CG 3.18Å; L742-R746 PolarHBondContact O-N 3.33Å; L742-L762 HydrophobicContact CD1-CB 4.25Å; L742-L762 HydrophobicContact CD1-CD1 3.75Å
743	E	88.6	Confident	86.4	Confident	119 Å²	119	69 Å²	69	56%	0.556	35%	0.352	S	S	*	.	H	α-helix	trans	-65.9	-42.7	175.6	-170.1	169.6	-161	0	0	111.8	R739 I741 S745 R746 L747	R739-E743 WeakPolarHBondContact O-CB 3.36Å; R739-E743 PolarHBondContact O-N 3.08Å; I741-E743 VanDerWaalsContact C-N 3.35Å; I741-E743 PolarHBondContact O-N 3.11Å; E743-S745 VanDerWaalsContact C-N 3.28Å; E743-S745 PolarHBondContact O-N 3.07Å; E743-R746 PolarHBondContact O-N 3.28Å; E743-L747 PolarHBondContact O-N 3.04Å
744	K	89.1	Confident	86.5	Confident	124 Å²	124	69.5 Å²	69.5	54%	0.539	34%	0.341	S	S	.	.	H	α-helix	trans	-58.4	-41	169.5	-76.7	173.6	-176.8	179.8	0	111.8	W722 A740 I741 L747 K748	W722-K744 HydrophobicContact CH2-CB 4.44Å; W722-K744 HydrophobicContact CZ3-CB 4.36Å; A740-K744 WeakPolarHBondContact O-CB 3.36Å; A740-K744 VanDerWaalsContact O-CG 3.23Å; A740-K744 WeakPolarHBondContact O-CG 3.46Å; A740-K744 PolarHBondContact O-N 2.86Å; I741-K744 PolarHBondContact O-N 2.95Å; K744-L747 PolarHBondContact O-N 2.82Å; K744-K748 WeakPolarHBondContact O-CB 3.45Å; K744-K748 WeakPolarHBondContact O-CG 3.36Å; K744-K748 PolarHBondContact O-N 2.8Å
745	S	86.7	Confident	86.6	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63.4	-41.6	178	82.1	0	0	0	0	111.8	W722 I741 L742 E743 L747 K748 N749	W722-S745 VanDerWaalsContact CE3-CB 3.5Å; W722-S745 VanDerWaalsContact CG-CB 3.46Å; I741-S745 WeakPolarHBondContact O-CB 3.49Å; I741-S745 PolarHBondContact O-N 3.43Å; L742-S745 WeakPolarHBondContact CA-OG 3.42Å; L742-S745 WeakPolarHBondContact O-CB 3.38Å; L742-S745 PolarHBondContact O-N 2.79Å; L742-S745 PolarHBondContact O-OG 2.77Å; E743-S745 VanDerWaalsContact C-N 3.28Å; E743-S745 PolarHBondContact O-N 3.07Å; S745-L747 VanDerWaalsContact C-N 3.34Å; S745-L747 PolarHBondContact O-N 2.97Å; S745-K748 PolarHBondContact O-N 3.44Å; S745-N749 PolarHBondContact O-N 2.88Å
746	R	84.4	Confident	86.6	Confident	43 Å²	43	63.2 Å²	63.2	16%	0.162	31%	0.31	C	S	.	.	H	α-helix	trans	-67.2	-34.9	176.7	-69.7	-174.6	-54.3	-146	2.2	112	L742 E743 N749 P750 L755 S759	L742-R746 WeakPolarHBondContact O-CG 3.18Å; L742-R746 PolarHBondContact O-N 3.33Å; E743-R746 PolarHBondContact O-N 3.28Å; R746-N749 CarbonylContact O-C 3.57Å; R746-N749 VanDerWaalsContact O-C 3.32Å; R746-P750 VanDerWaalsContact O-CA 3.24Å; R746-P750 WeakPolarHBondContact O-CA 3.31Å; R746-L755 HydrophobicContact CG-CB 4.26Å; R746-S759 PolarHBondContact NH1-OG 3.16Å
747	L	88.7	Confident	86.6	Confident	148 Å²	148	59 Å²	59	78%	0.775	28%	0.284	S	S	*	.	H	α-helix	trans	-70.1	-39.8	175.5	-174.5	65.4	0	0	0	111.7	E743 K744 S745	E743-L747 PolarHBondContact O-N 3.04Å; K744-L747 PolarHBondContact O-N 2.82Å; S745-L747 VanDerWaalsContact C-N 3.34Å; S745-L747 PolarHBondContact O-N 2.97Å
748	K	85.2	Confident	86.6	Confident	131 Å²	131	53.2 Å²	53.2	57%	0.57	26%	0.262	S	S	*	.	H	α-helix	trans	-74.6	-36.7	179.8	-73.2	-70.2	-176.6	-179.6	0	112.9	W722 K744 S745 P750	W722-K748 HydrophobicContact CZ2-CG 4.47Å; K744-K748 WeakPolarHBondContact O-CB 3.45Å; K744-K748 WeakPolarHBondContact O-CG 3.36Å; K744-K748 PolarHBondContact O-N 2.8Å; S745-K748 PolarHBondContact O-N 3.44Å; K748-P750 WeakPolarHBondContact O-CD 3.32Å
749	N	82	Confident	86.5	Confident	18 Å²	18	53.5 Å²	53.5	10%	0.096	26%	0.264	C	S	.	.	S	Bend	trans	-122.4	77.8	176.4	-62.6	-38.4	0	0	0	109.2	P716 H717 S745 R746 L755	P716-N749 PolarHBondContact O-ND2 3.35Å; H717-N749 WeakPolarHBondContact CA-OD1 3.45Å; H717-N749 PolarHBondContact ND1-OD1 3.17Å; S745-N749 PolarHBondContact O-N 2.88Å; R746-N749 CarbonylContact O-C 3.57Å; R746-N749 VanDerWaalsContact O-C 3.32Å; N749-L755 HydrophobicContact CB-CD1 3.88Å
750	P	81.3	Confident	86.6	Confident	90 Å²	90	49.9 Å²	49.9	58%	0.584	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	150.7	180	27.5	-34.3	0	0	0	111	R746 K748 N752	R746-P750 VanDerWaalsContact O-CA 3.24Å; R746-P750 WeakPolarHBondContact O-CA 3.31Å; K748-P750 WeakPolarHBondContact O-CD 3.32Å; P750-N752 VanDerWaalsContact C-N 3.34Å; P750-N752 PolarHBondContact O-N 3.06Å
751	K	79.7	Confident	86.5	Confident	154 Å²	154	50.3 Å²	50.3	67%	0.67	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.8	27.2	173.7	-51.8	178.6	179.6	-179	0	115.9	C783	K751-C783 VanDerWaalsContact C-SG 3.59Å; K751-C783 PolarHBondContact O-SG 3.1Å
752	N	84.6	Confident	86.5	Confident	43 Å²	43	49.5 Å²	49.5	23%	0.23	24%	0.239	C	C	.	.			trans	-98	125.9	171.7	-163.3	-42.8	0	0	0	112.3	I719 P750 D754 L755 W756	I719-N752 WeakPolarHBondContact CD1-ND2 3.46Å; I719-N752 VanDerWaalsContact CG1-ND2 3.32Å; I719-N752 WeakPolarHBondContact CG1-ND2 3.39Å; P750-N752 VanDerWaalsContact C-N 3.34Å; P750-N752 PolarHBondContact O-N 3.06Å; N752-D754 PolarHBondContact OD1-N 3.24Å; N752-L755 HydrophobicContact CB-CD1 4.37Å; N752-W756 PolarHBondContact O-N 3.41Å
753	A	83.4	Confident	86.5	Confident	13 Å²	13	50 Å²	50	11%	0.107	24%	0.242	C	C	.	.	H	α-helix	trans	-65.9	-34.3	-178.8	0	0	0	0	0	115	W756 L757 S786 I788 L789	A753-W756 PolarHBondContact O-N 3.04Å; A753-L757 VanDerWaalsContact O-CB 3.31Å; A753-L757 WeakPolarHBondContact O-CB 3.5Å; A753-L757 PolarHBondContact O-N 3.14Å; A753-S786 WeakPolarHBondContact CB-OG 3.46Å; A753-I788 HydrophobicContact CB-CD1 3.69Å; A753-I788 HydrophobicContact CB-CG1 3.89Å; A753-L789 HydrophobicContact CB-CD1 3.84Å; A753-L789 HydrophobicContact CB-CG 3.98Å
754	D	84.7	Confident	86.5	Confident	69 Å²	69	48 Å²	48	37%	0.369	23%	0.23	S	C	.	.	H	α-helix	trans	-66.7	-41.5	-178.2	-72.8	-38.6	0	0	0	112	I719 N752 L757 E758 I788	I719-D754 HydrophobicContact CG2-CB 3.63Å; N752-D754 PolarHBondContact OD1-N 3.24Å; D754-L757 PolarHBondContact O-N 3.21Å; D754-E758 PolarHBondContact O-N 3.01Å; D754-I788 HydrophobicContact CB-CD1 4.5Å; D754-I788 WeakPolarHBondContact OD1-CD1 3.28Å
755	L	88	Confident	86.4	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-68.4	-39	177.3	-64.4	177.5	0	0	0	111.4	I719 W722 L723 R746 N749 N752 S759	I719-L755 HydrophobicContact CB-CD2 4.47Å; I719-L755 HydrophobicContact CG1-CG 4.49Å; I719-L755 HydrophobicContact CG2-CD2 3.7Å; I719-L755 HydrophobicContact CG2-CG 3.91Å; W722-L755 HydrophobicContact CB-CD2 3.92Å; L723-L755 HydrophobicContact CD2-CD2 3.89Å; R746-L755 HydrophobicContact CG-CB 4.26Å; N749-L755 HydrophobicContact CB-CD1 3.88Å; N752-L755 HydrophobicContact CB-CD1 4.37Å; L755-S759 PolarHBondContact O-N 3.2Å
756	W	89.6	Confident	86.4	Confident	17 Å²	17	49.4 Å²	49.4	6%	0.064	24%	0.24	C	C	.	.	H	α-helix	trans	-62.3	-47.9	173.8	-85.6	119.6	0	0	0	111.3	N752 A753 E758 S759 V760 L775 K778 A779 E782 L789	N752-W756 PolarHBondContact O-N 3.41Å; A753-W756 PolarHBondContact O-N 3.04Å; W756-E758 VanDerWaalsContact C-N 3.32Å; W756-E758 PolarHBondContact O-N 3.24Å; W756-S759 PolarHBondContact O-N 3.4Å; W756-S759 PolarHBondContact O-OG 2.98Å; W756-V760 WeakPolarHBondContact O-CG2 3.22Å; W756-V760 PolarHBondContact O-N 3.45Å; W756-L775 HydrophobicContact CZ3-CD2 4.22Å; W756-K778 HydrophobicContact CH2-CB 4.23Å; W756-K778 HydrophobicContact CZ3-CB 4.34Å; W756-A779 HydrophobicContact CB-CB 3.67Å; W756-A779 HydrophobicContact CD2-CB 3.73Å; W756-A779 HydrophobicContact CE3-CB 3.83Å; W756-A779 HydrophobicContact CG-CB 3.68Å; W756-E782 WeakPolarHBondContact CZ2-OE1 3.24Å; W756-E782 VanDerWaalsContact CZ2-OE2 3.29Å; W756-E782 WeakPolarHBondContact CZ2-OE2 3.5Å; W756-E782 PolarHBondContact NE1-OE2 3.48Å; W756-L789 HydrophobicContact CB-CD1 4.4Å; W756-L789 HydrophobicContact CB-CD2 3.86Å
757	L	88.9	Confident	86.4	Confident	6 Å²	6	49.8 Å²	49.8	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-58.3	-44	178.7	177	153.1	0	0	0	111.6	A753 D754 V760 R761 I788 L789 E792	A753-L757 VanDerWaalsContact O-CB 3.31Å; A753-L757 WeakPolarHBondContact O-CB 3.5Å; A753-L757 PolarHBondContact O-N 3.14Å; D754-L757 PolarHBondContact O-N 3.21Å; L757-V760 WeakPolarHBondContact O-CB 3.33Å; L757-V760 PolarHBondContact O-N 3.42Å; L757-R761 HydrophobicContact CD2-CG 4.28Å; L757-R761 VanDerWaalsContact CD2-CZ 3.42Å; L757-R761 WeakPolarHBondContact O-CG 3.19Å; L757-R761 PolarHBondContact O-N 2.94Å; L757-I788 HydrophobicContact CD1-CB 3.81Å; L757-I788 HydrophobicContact CD1-CD1 4.36Å; L757-I788 HydrophobicContact CD1-CG1 4.25Å; L757-L789 HydrophobicContact CB-CD2 3.95Å; L757-E792 HydrophobicContact CD1-CB 4.47Å
758	E	86.9	Confident	86.6	Confident	6 Å²	6	46.1 Å²	46.1	3%	0.028	24%	0.238	C	C	.	.	H	α-helix	trans	-71	-32.9	179.2	-79.1	-87.6	-132	0	0	113.2	L723 R727 D754 W756 V760 R761 L762 R765	L723-E758 HydrophobicContact CD1-CG 4.03Å; L723-E758 HydrophobicContact CD2-CB 3.48Å; L723-E758 VanDerWaalsContact CD2-CB 3.48Å; L723-E758 HydrophobicContact CD2-CG 3.45Å; L723-E758 VanDerWaalsContact CD2-CG 3.45Å; L723-E758 HydrophobicContact CG-CG 4.26Å; R727-E758 IonicContact CZ-OE1 2.64Å; R727-E758 IonicContact NE-OE1 2.76Å; R727-E758 PolarHBondContact NE-OE1 2.89Å; R727-E758 IonicContact NH2-OE1 2.85Å; R727-E758 PolarHBondContact NH2-OE1 2.84Å; D754-E758 PolarHBondContact O-N 3.01Å; W756-E758 VanDerWaalsContact C-N 3.32Å; W756-E758 PolarHBondContact O-N 3.24Å; E758-V760 VanDerWaalsContact C-N 3.29Å; E758-V760 PolarHBondContact O-N 2.89Å; E758-R761 PolarHBondContact O-N 3.49Å; E758-L762 VanDerWaalsContact O-CB 3.29Å; E758-L762 WeakPolarHBondContact O-CB 3.24Å; E758-L762 PolarHBondContact O-N 3.19Å; E758-R765 IonicContact OE2-CZ 3.2Å; E758-R765 IonicContact OE2-NH2 3.27Å; E758-R765 PolarHBondContact OE2-NH2 2.67Å
759	S	87.8	Confident	86.7	Confident	5 Å²	5	45.5 Å²	45.5	4%	0.035	24%	0.235	C	C	.	.	H	α-helix	trans	-64	-38	170.8	73.8	0	0	0	0	112.2	R746 L755 W756 E763	R746-S759 PolarHBondContact NH1-OG 3.16Å; L755-S759 PolarHBondContact O-N 3.2Å; W756-S759 PolarHBondContact O-N 3.4Å; W756-S759 PolarHBondContact O-OG 2.98Å; S759-E763 PolarHBondContact O-N 3.23Å
760	V	90.3	Very high	87.1	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-68.1	-44.1	176.1	171.9	0	0	0	0	110.9	W756 L757 E758 E763 Y764 A772 L775 M776 L796	W756-V760 WeakPolarHBondContact O-CG2 3.22Å; W756-V760 PolarHBondContact O-N 3.45Å; L757-V760 WeakPolarHBondContact O-CB 3.33Å; L757-V760 PolarHBondContact O-N 3.42Å; E758-V760 VanDerWaalsContact C-N 3.29Å; E758-V760 PolarHBondContact O-N 2.89Å; V760-E763 PolarHBondContact O-N 3.43Å; V760-Y764 WeakPolarHBondContact O-CB 3.5Å; V760-Y764 PolarHBondContact O-N 3.5Å; V760-A772 HydrophobicContact CG1-CB 4.23Å; V760-L775 HydrophobicContact CG2-CB 3.95Å; V760-M776 HydrophobicContact CB-CE 4.43Å; V760-M776 HydrophobicContact CG1-CB 4.34Å; V760-M776 HydrophobicContact CG1-CE 4.02Å; V760-M776 HydrophobicContact CG2-CB 4.06Å; V760-M776 HydrophobicContact CG2-CE 4.28Å; V760-L796 HydrophobicContact CG1-CD1 3.41Å; V760-L796 VanDerWaalsContact CG1-CD1 3.41Å
761	R	88.5	Confident	87.5	Confident	50 Å²	50	50.2 Å²	50.2	19%	0.189	26%	0.255	C	S	.	.	H	α-helix	trans	-65.9	-37.4	177.9	-74.2	-173.9	178	165.3	6.9	112.8	L757 E758 Y764 R765 E792 E886	L757-R761 HydrophobicContact CD2-CG 4.28Å; L757-R761 VanDerWaalsContact CD2-CZ 3.42Å; L757-R761 WeakPolarHBondContact O-CG 3.19Å; L757-R761 PolarHBondContact O-N 2.94Å; E758-R761 PolarHBondContact O-N 3.49Å; R761-Y764 PolarHBondContact O-N 2.94Å; R761-R765 WeakPolarHBondContact O-CB 3.45Å; R761-R765 WeakPolarHBondContact O-CG 3.44Å; R761-R765 PolarHBondContact O-N 3.44Å; R761-E792 IonicContact CZ-OE2 3.57Å; R761-E792 IonicContact NE-OE2 3.86Å; R761-E792 PolarHBondContact NE-OE2 3.32Å; R761-E792 IonicContact NH2-OE2 3.77Å; R761-E792 PolarHBondContact NH2-OE2 2.97Å; R761-E886 IonicContact CZ-OE2 3.07Å; R761-E886 IonicContact NH1-OE1 3.83Å; R761-E886 PolarHBondContact NH1-OE1 3.02Å; R761-E886 IonicContact NH1-OE2 2.7Å; R761-E886 PolarHBondContact NH1-OE2 3.33Å; R761-E886 IonicContact NH2-OE2 3.7Å
762	L	89.9	Confident	88	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-58.7	-49.2	175.3	-176.2	153.3	0	0	0	110.7	L735 A738 R739 L742 E758 Y764 R765 A766	L735-L762 HydrophobicContact CD1-CD2 4.27Å; L735-L762 HydrophobicContact CD2-CD2 4.02Å; L735-L762 HydrophobicContact CG-CD2 3.98Å; A738-L762 HydrophobicContact CB-CD1 3.64Å; R739-L762 HydrophobicContact CG-CD2 3.75Å; L742-L762 HydrophobicContact CD1-CB 4.25Å; L742-L762 HydrophobicContact CD1-CD1 3.75Å; E758-L762 VanDerWaalsContact O-CB 3.29Å; E758-L762 WeakPolarHBondContact O-CB 3.24Å; E758-L762 PolarHBondContact O-N 3.19Å; L762-Y764 VanDerWaalsContact C-N 3.3Å; L762-Y764 PolarHBondContact O-N 3.3Å; L762-R765 PolarHBondContact O-N 3.14Å; L762-A766 WeakPolarHBondContact O-CB 3.48Å; L762-A766 PolarHBondContact O-N 3.44Å
763	E	88.7	Confident	88.3	Confident	13 Å²	13	43.6 Å²	43.6	6%	0.061	23%	0.227	C	C	.	.	H	α-helix	trans	-66.5	-33.6	177.2	-61.6	-53.3	161.9	0	0	112.6	R739 S759 V760 A766 G767 L768 I771 A772 L775	R739-E763 WeakPolarHBondContact CD-OE1 3.41Å; R739-E763 VanDerWaalsContact CG-OE1 3.31Å; R739-E763 WeakPolarHBondContact CG-OE1 3.5Å; R739-E763 IonicContact CZ-OE1 2.73Å; R739-E763 IonicContact CZ-OE2 2.72Å; R739-E763 VanDerWaalsContact NE-CD 3.31Å; R739-E763 IonicContact NE-OE1 3.05Å; R739-E763 PolarHBondContact NE-OE1 2.88Å; R739-E763 IonicContact NE-OE2 3.72Å; R739-E763 PolarHBondContact NE-OE2 3.18Å; R739-E763 VanDerWaalsContact NE-OE2 3.14Å; R739-E763 IonicContact NH2-OE1 2.7Å; R739-E763 IonicContact NH2-OE2 3.05Å; R739-E763 PolarHBondContact NH2-OE2 2.95Å; S759-E763 PolarHBondContact O-N 3.23Å; V760-E763 PolarHBondContact O-N 3.43Å; E763-A766 WeakPolarHBondContact O-CB 3.18Å; E763-A766 PolarHBondContact O-N 3.31Å; E763-G767 PolarHBondContact O-N 3.45Å; E763-L768 PolarHBondContact O-N 3.42Å; E763-I771 HydrophobicContact CG-CG2 4.03Å; E763-A772 HydrophobicContact CB-CB 3.96Å; E763-L775 HydrophobicContact CG-CD1 3.63Å
764	Y	88.7	Confident	88.8	Confident	77 Å²	77	46.6 Å²	46.6	30%	0.302	24%	0.244	S	C	.	.	H	α-helix	trans	-65.9	-44.6	175.3	-172.9	-100.9	0	0	0	112.1	V760 R761 L762 A766 G767 K769 F795 L796	V760-Y764 WeakPolarHBondContact O-CB 3.5Å; V760-Y764 PolarHBondContact O-N 3.5Å; R761-Y764 PolarHBondContact O-N 2.94Å; L762-Y764 VanDerWaalsContact C-N 3.3Å; L762-Y764 PolarHBondContact O-N 3.3Å; Y764-A766 VanDerWaalsContact C-N 3.29Å; Y764-A766 PolarHBondContact O-N 2.89Å; Y764-G767 PolarHBondContact O-N 3.39Å; Y764-K769 HydrophobicContact CD2-CG 4.13Å; Y764-K769 HydrophobicContact CE2-CD 4.32Å; Y764-K769 HydrophobicContact CE2-CG 4.08Å; Y764-F795 HydrophobicContact CE1-CE1 4.05Å; Y764-L796 HydrophobicContact CD2-CD2 3.35Å; Y764-L796 HydrophobicContact CE2-CD2 3.77Å; Y764-L796 HydrophobicContact CG-CD2 4.01Å
765	R	86.8	Confident	89	Confident	113 Å²	113	44.3 Å²	44.3	43%	0.426	23%	0.232	S	C	.	.	H	α-helix	trans	-65.7	-32.3	175.3	-68.9	-177.1	-138.3	123.6	2.9	111.9	E730 E758 R761 L762 G767	E730-R765 VanDerWaalsContact CD-NH1 3.25Å; E730-R765 VanDerWaalsContact OE1-CD 3.26Å; E730-R765 WeakPolarHBondContact OE1-CD 3.38Å; E730-R765 IonicContact OE1-CZ 3.69Å; E730-R765 IonicContact OE1-NH1 2.88Å; E730-R765 PolarHBondContact OE1-NH1 3.42Å; E730-R765 IonicContact OE2-CZ 2.76Å; E730-R765 IonicContact OE2-NH1 3.69Å; E730-R765 PolarHBondContact OE2-NH1 3.39Å; E758-R765 IonicContact OE2-CZ 3.2Å; E758-R765 IonicContact OE2-NH2 3.27Å; E758-R765 PolarHBondContact OE2-NH2 2.67Å; R761-R765 WeakPolarHBondContact O-CB 3.45Å; R761-R765 WeakPolarHBondContact O-CG 3.44Å; R761-R765 PolarHBondContact O-N 3.44Å; L762-R765 PolarHBondContact O-N 3.14Å; R765-G767 PolarHBondContact O-N 3.2Å
766	A	86.1	Confident	89.1	Confident	40 Å²	40	44.6 Å²	44.6	33%	0.331	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-9.7	171.7	0	0	0	0	0	114.1	L735 L762 E763 Y764 L768	L735-A766 HydrophobicContact CD1-CB 3.58Å; L735-A766 HydrophobicContact CD2-CB 4.2Å; L762-A766 WeakPolarHBondContact O-CB 3.48Å; L762-A766 PolarHBondContact O-N 3.44Å; E763-A766 WeakPolarHBondContact O-CB 3.18Å; E763-A766 PolarHBondContact O-N 3.31Å; Y764-A766 VanDerWaalsContact C-N 3.29Å; Y764-A766 PolarHBondContact O-N 2.89Å; A766-L768 VanDerWaalsContact C-N 3.34Å; A766-L768 HydrophobicContact CB-CD1 4.46Å
767	G	85.6	Confident	89.1	Confident	51 Å²	51	46.2 Å²	46.2	53%	0.526	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	0.1	-176.5	0	0	0	0	0	114.8	E763 Y764 R765 K769	E763-G767 PolarHBondContact O-N 3.45Å; Y764-G767 PolarHBondContact O-N 3.39Å; R765-G767 PolarHBondContact O-N 3.2Å; G767-K769 VanDerWaalsContact C-N 3.3Å; G767-K769 PolarHBondContact O-N 3.49Å
768	L	91.4	Very high	89.2	Confident	70 Å²	70	51.3 Å²	51.3	37%	0.366	27%	0.272	S	S	.	.			trans	-87.7	64.6	-177.9	-64.5	168.8	0	0	0	111.6	E763 A766 N770 I771 A772	E763-L768 PolarHBondContact O-N 3.42Å; A766-L768 VanDerWaalsContact C-N 3.34Å; A766-L768 HydrophobicContact CB-CD1 4.46Å; L768-N770 VanDerWaalsContact C-N 3.27Å; L768-N770 PolarHBondContact O-N 3.14Å; L768-I771 HydrophobicContact CB-CB 4.34Å; L768-I771 HydrophobicContact CB-CD1 4.16Å; L768-I771 HydrophobicContact CD1-CD1 4.04Å; L768-I771 HydrophobicContact CD2-CD1 4.36Å; L768-I771 HydrophobicContact CG-CD1 4.43Å; L768-I771 PolarHBondContact O-N 3.19Å; L768-A772 PolarHBondContact O-N 3.14Å
769	K	88.3	Confident	89.3	Confident	118 Å²	118	51 Å²	51	51%	0.513	27%	0.271	S	S	.	.	H	α-helix	trans	-57.4	-35.9	-175.4	-62.5	-178.9	-179.1	178.1	0	113.8	Y764 G767 A772 N773	Y764-K769 HydrophobicContact CD2-CG 4.13Å; Y764-K769 HydrophobicContact CE2-CD 4.32Å; Y764-K769 HydrophobicContact CE2-CG 4.08Å; G767-K769 VanDerWaalsContact C-N 3.3Å; G767-K769 PolarHBondContact O-N 3.49Å; K769-A772 WeakPolarHBondContact O-CB 3.43Å; K769-A772 PolarHBondContact O-N 3.11Å; K769-N773 PolarHBondContact O-N 3.48Å
770	N	90.2	Very high	89.3	Confident	132 Å²	132	51.8 Å²	51.8	71%	0.706	27%	0.274	S	S	*	.	H	α-helix	trans	-66.3	-45.6	-179.8	-62.6	-15.1	0	0	0	111	L768 A772 N773 T774	L768-N770 VanDerWaalsContact C-N 3.27Å; L768-N770 PolarHBondContact O-N 3.14Å; N770-A772 VanDerWaalsContact C-N 3.34Å; N770-N773 PolarHBondContact O-N 3.38Å; N770-T774 WeakPolarHBondContact O-CG2 3.22Å; N770-T774 PolarHBondContact O-N 2.81Å
771	I	89.6	Confident	89.3	Confident	75 Å²	75	59.4 Å²	59.4	39%	0.385	31%	0.31	S	S	.	.	H	α-helix	trans	-65.1	-43.4	177.6	-63.3	167.5	0	0	0	109.3	E763 L768 N773 T774 L775	E763-I771 HydrophobicContact CG-CG2 4.03Å; L768-I771 HydrophobicContact CB-CB 4.34Å; L768-I771 HydrophobicContact CB-CD1 4.16Å; L768-I771 HydrophobicContact CD1-CD1 4.04Å; L768-I771 HydrophobicContact CD2-CD1 4.36Å; L768-I771 HydrophobicContact CG-CD1 4.43Å; L768-I771 PolarHBondContact O-N 3.19Å; I771-N773 VanDerWaalsContact C-N 3.33Å; I771-N773 PolarHBondContact O-N 2.83Å; I771-T774 PolarHBondContact O-N 3.12Å; I771-T774 VanDerWaalsContact O-N 3.12Å; I771-T774 PolarHBondContact O-OG1 2.84Å; I771-L775 HydrophobicContact CG2-CD1 4.01Å; I771-L775 HydrophobicContact CG2-CG 4.18Å; I771-L775 WeakPolarHBondContact O-CB 3.34Å; I771-L775 WeakPolarHBondContact O-CG 3.36Å; I771-L775 PolarHBondContact O-N 3.4Å
772	A	90.8	Very high	89.1	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-54.7	-46.3	174.8	0	0	0	0	0	112.3	V760 E763 L768 K769 N770 L775 M776	V760-A772 HydrophobicContact CG1-CB 4.23Å; E763-A772 HydrophobicContact CB-CB 3.96Å; L768-A772 PolarHBondContact O-N 3.14Å; K769-A772 WeakPolarHBondContact O-CB 3.43Å; K769-A772 PolarHBondContact O-N 3.11Å; N770-A772 VanDerWaalsContact C-N 3.34Å; A772-L775 PolarHBondContact O-N 3.19Å; A772-M776 WeakPolarHBondContact O-CB 3.44Å; A772-M776 PolarHBondContact O-N 3.09Å
773	N	89.9	Confident	88.8	Confident	58 Å²	58	62.2 Å²	62.2	31%	0.31	33%	0.327	S	S	.	.	H	α-helix	trans	-63.4	-41	175.8	-82.7	-18.8	0	0	0	112.8	K769 N770 I771 M776 A777 L796	K769-N773 PolarHBondContact O-N 3.48Å; N770-N773 PolarHBondContact O-N 3.38Å; I771-N773 VanDerWaalsContact C-N 3.33Å; I771-N773 PolarHBondContact O-N 2.83Å; N773-M776 PolarHBondContact O-N 2.91Å; N773-A777 PolarHBondContact O-N 2.89Å; N773-L796 WeakPolarHBondContact OD1-CB 3.46Å
774	T	93.4	Very high	88.6	Confident	77 Å²	77	64.1 Å²	64.1	47%	0.472	34%	0.34	S	S	.	.	H	α-helix	trans	-68.3	-36.8	176.9	65.7	0	0	0	0	112.3	N770 I771 A777 K778	N770-T774 WeakPolarHBondContact O-CG2 3.22Å; N770-T774 PolarHBondContact O-N 2.81Å; I771-T774 PolarHBondContact O-N 3.12Å; I771-T774 VanDerWaalsContact O-N 3.12Å; I771-T774 PolarHBondContact O-OG1 2.84Å; T774-A777 PolarHBondContact O-N 3.45Å; T774-K778 WeakPolarHBondContact O-CG 3.43Å; T774-K778 PolarHBondContact O-N 3.18Å
775	L	89.6	Confident	88.4	Confident	21 Å²	21	66.3 Å²	66.3	11%	0.11	36%	0.357	C	S	.	.	H	α-helix	trans	-67.7	-38.5	174.2	-72.3	178.2	0	0	0	110.9	W756 V760 E763 I771 A772 A777 K778 A779	W756-L775 HydrophobicContact CZ3-CD2 4.22Å; V760-L775 HydrophobicContact CG2-CB 3.95Å; E763-L775 HydrophobicContact CG-CD1 3.63Å; I771-L775 HydrophobicContact CG2-CD1 4.01Å; I771-L775 HydrophobicContact CG2-CG 4.18Å; I771-L775 WeakPolarHBondContact O-CB 3.34Å; I771-L775 WeakPolarHBondContact O-CG 3.36Å; I771-L775 PolarHBondContact O-N 3.4Å; A772-L775 PolarHBondContact O-N 3.19Å; L775-A777 VanDerWaalsContact C-N 3.35Å; L775-K778 PolarHBondContact O-N 2.87Å; L775-A779 WeakPolarHBondContact O-CB 3.39Å; L775-A779 PolarHBondContact O-N 3.09Å
776	M	90.1	Very high	88.4	Confident	5 Å²	5	61.9 Å²	61.9	3%	0.025	34%	0.344	C	S	.	.	H	α-helix	trans	-64.1	-40.8	174.1	-179.4	54.8	82.3	0	0	111.2	V760 A772 N773 K778 A779 L780 L789 E792 A793 L796	V760-M776 HydrophobicContact CB-CE 4.43Å; V760-M776 HydrophobicContact CG1-CB 4.34Å; V760-M776 HydrophobicContact CG1-CE 4.02Å; V760-M776 HydrophobicContact CG2-CB 4.06Å; V760-M776 HydrophobicContact CG2-CE 4.28Å; A772-M776 WeakPolarHBondContact O-CB 3.44Å; A772-M776 PolarHBondContact O-N 3.09Å; N773-M776 PolarHBondContact O-N 2.91Å; M776-K778 VanDerWaalsContact C-N 3.35Å; M776-K778 PolarHBondContact O-N 3.32Å; M776-A779 WeakPolarHBondContact O-CB 3.32Å; M776-A779 PolarHBondContact O-N 3.25Å; M776-L780 HydrophobicContact CG-CD1 4.25Å; M776-L780 WeakPolarHBondContact O-CG 3.31Å; M776-L780 PolarHBondContact O-N 3.24Å; M776-L780 HydrophobicContact SD-CD1 4.28Å; M776-L780 HydrophobicContact SD-CD2 4.48Å; M776-L780 HydrophobicContact SD-CG 4.04Å; M776-L789 HydrophobicContact CE-CD2 4.2Å; M776-L789 VanDerWaalsContact CE-O 3.3Å; M776-L789 WeakPolarHBondContact CE-O 3.4Å; M776-L789 HydrophobicContact SD-CB 4.22Å; M776-L789 HydrophobicContact SD-CD2 4.14Å; M776-E792 HydrophobicContact CE-CB 3.62Å; M776-E792 HydrophobicContact CE-CG 3.8Å; M776-A793 HydrophobicContact CE-CB 4.28Å; M776-A793 HydrophobicContact CG-CB 3.78Å; M776-A793 HydrophobicContact SD-CB 3.93Å; M776-L796 HydrophobicContact CB-CD1 4.05Å; M776-L796 HydrophobicContact CE-CD1 4.15Å; M776-L796 HydrophobicContact CG-CD1 4.21Å
777	A	89.9	Confident	88.3	Confident	51 Å²	51	60.1 Å²	60.1	42%	0.421	33%	0.329	S	S	.	.	H	α-helix	trans	-61	-42.9	174.2	0	0	0	0	0	112	N773 T774 L775 L780 Q781	N773-A777 PolarHBondContact O-N 2.89Å; T774-A777 PolarHBondContact O-N 3.45Å; L775-A777 VanDerWaalsContact C-N 3.35Å; A777-L780 PolarHBondContact O-N 2.95Å; A777-Q781 WeakPolarHBondContact O-CG 3.21Å; A777-Q781 PolarHBondContact O-N 3.3Å
778	K	90.5	Very high	88.4	Confident	114 Å²	114	59 Å²	59	50%	0.496	31%	0.311	S	S	.	.	H	α-helix	trans	-63.4	-42.7	173.8	-70.8	177.8	179	-178.3	0	112	W756 T774 L775 M776 L780 Q781 E782	W756-K778 HydrophobicContact CH2-CB 4.23Å; W756-K778 HydrophobicContact CZ3-CB 4.34Å; T774-K778 WeakPolarHBondContact O-CG 3.43Å; T774-K778 PolarHBondContact O-N 3.18Å; L775-K778 PolarHBondContact O-N 2.87Å; M776-K778 VanDerWaalsContact C-N 3.35Å; M776-K778 PolarHBondContact O-N 3.32Å; K778-L780 VanDerWaalsContact C-N 3.35Å; K778-L780 PolarHBondContact O-N 2.82Å; K778-Q781 WeakPolarHBondContact O-CB 3.32Å; K778-Q781 PolarHBondContact O-N 2.98Å; K778-E782 PolarHBondContact O-N 3.1Å; K778-E782 VanDerWaalsContact O-N 3.13Å
779	A	89.3	Confident	88.3	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-60.3	-43.8	177.4	0	0	0	0	0	112.1	W756 L775 M776 Q781 E782 C783 L789	W756-A779 HydrophobicContact CB-CB 3.67Å; W756-A779 HydrophobicContact CD2-CB 3.73Å; W756-A779 HydrophobicContact CE3-CB 3.83Å; W756-A779 HydrophobicContact CG-CB 3.68Å; L775-A779 WeakPolarHBondContact O-CB 3.39Å; L775-A779 PolarHBondContact O-N 3.09Å; M776-A779 WeakPolarHBondContact O-CB 3.32Å; M776-A779 PolarHBondContact O-N 3.25Å; A779-Q781 VanDerWaalsContact C-N 3.32Å; A779-Q781 PolarHBondContact O-N 3.42Å; A779-E782 PolarHBondContact O-N 3.5Å; A779-C783 PolarHBondContact O-N 3.31Å; A779-L789 HydrophobicContact CB-CD1 3.9Å; A779-L789 HydrophobicContact CB-CD2 3.96Å
780	L	88.6	Confident	88.5	Confident	20 Å²	20	51.1 Å²	51.1	11%	0.105	27%	0.273	C	S	.	.	H	α-helix	trans	-70.8	-25.3	177.3	-67.9	175.8	0	0	0	113.2	M776 A777 K778 P784 L789 W790 A793	M776-L780 HydrophobicContact CG-CD1 4.25Å; M776-L780 WeakPolarHBondContact O-CG 3.31Å; M776-L780 PolarHBondContact O-N 3.24Å; M776-L780 HydrophobicContact SD-CD1 4.28Å; M776-L780 HydrophobicContact SD-CD2 4.48Å; M776-L780 HydrophobicContact SD-CG 4.04Å; A777-L780 PolarHBondContact O-N 2.95Å; K778-L780 VanDerWaalsContact C-N 3.35Å; K778-L780 PolarHBondContact O-N 2.82Å; L780-P784 WeakPolarHBondContact O-CA 3.4Å; L780-L789 HydrophobicContact CD2-CB 3.87Å; L780-W790 HydrophobicContact CD1-CD2 4.5Å; L780-W790 HydrophobicContact CD1-CE3 4.3Å; L780-W790 HydrophobicContact CD1-CH2 4.22Å; L780-W790 HydrophobicContact CD1-CZ2 4.38Å; L780-W790 HydrophobicContact CD1-CZ3 4.2Å; L780-W790 HydrophobicContact CD2-CD2 3.87Å; L780-W790 HydrophobicContact CD2-CE3 4.47Å; L780-W790 HydrophobicContact CD2-CG 4.1Å; L780-W790 HydrophobicContact CD2-CZ2 4.15Å; L780-A793 HydrophobicContact CD1-CB 4.04Å
781	Q	88.7	Confident	88.4	Confident	160 Å²	160	45.4 Å²	45.4	75%	0.748	24%	0.243	S	C	*	.	H	α-helix	trans	-69	-42.6	171.8	-77.9	-179.4	-13.9	0	0	111.7	A777 K778 A779	A777-Q781 WeakPolarHBondContact O-CG 3.21Å; A777-Q781 PolarHBondContact O-N 3.3Å; K778-Q781 WeakPolarHBondContact O-CB 3.32Å; K778-Q781 PolarHBondContact O-N 2.98Å; A779-Q781 VanDerWaalsContact C-N 3.32Å; A779-Q781 PolarHBondContact O-N 3.42Å
782	E	85.3	Confident	88.4	Confident	94 Å²	94	42.7 Å²	42.7	44%	0.439	23%	0.229	S	C	.	.	H	α-helix	trans	-76.3	-36.9	178.7	-67.3	-176.7	-173.8	0	0	112.6	W756 K778 A779	W756-E782 WeakPolarHBondContact CZ2-OE1 3.24Å; W756-E782 VanDerWaalsContact CZ2-OE2 3.29Å; W756-E782 WeakPolarHBondContact CZ2-OE2 3.5Å; W756-E782 PolarHBondContact NE1-OE2 3.48Å; K778-E782 PolarHBondContact O-N 3.1Å; K778-E782 VanDerWaalsContact O-N 3.13Å; A779-E782 PolarHBondContact O-N 3.5Å
783	C	82.4	Confident	88.4	Confident	18 Å²	18	42.8 Å²	42.8	12%	0.122	23%	0.23	C	C	.	.			trans	-131.4	74.1	-173.6	-61.7	0	0	0	0	111.5	K751 A779 N785 L789	K751-C783 VanDerWaalsContact C-SG 3.59Å; K751-C783 PolarHBondContact O-SG 3.1Å; A779-C783 PolarHBondContact O-N 3.31Å; C783-N785 VanDerWaalsContact C-N 3.29Å; C783-N785 PolarHBondContact O-N 2.74Å; C783-L789 HydrophobicContact CB-CD1 3.97Å
784	P	84.7	Confident	88.4	Confident	53 Å²	53	40.3 Å²	40.3	34%	0.344	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-17.9	-175.1	28.4	-35.8	0	0	0	114.2	L780 W790	L780-P784 WeakPolarHBondContact O-CA 3.4Å; P784-W790 PolarHBondContact O-NE1 2.87Å
785	N	85.7	Confident	88.1	Confident	122 Å²	122	40 Å²	40	65%	0.652	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.5	15.4	-174.8	-61.1	-6.7	0	0	0	113	C783 C813	C783-N785 VanDerWaalsContact C-N 3.29Å; C783-N785 PolarHBondContact O-N 2.74Å; N785-C813 PolarHBondContact O-SG 3.06Å
786	S	85.6	Confident	88	Confident	21 Å²	21	39.9 Å²	39.9	15%	0.147	21%	0.208	C	C	.	.			trans	-92.2	116.4	-178.1	175.7	0	0	0	0	111.9	A753 I788 L789 W790	A753-S786 WeakPolarHBondContact CB-OG 3.46Å; S786-I788 PolarHBondContact O-N 3.31Å; S786-I788 VanDerWaalsContact OG-CG1 3.28Å; S786-I788 WeakPolarHBondContact OG-CG1 3.21Å; S786-L789 PolarHBondContact O-N 3.29Å; S786-W790 PolarHBondContact O-N 3.27Å
787	G	85.1	Confident	87.9	Confident	2 Å²	2	41.9 Å²	41.9	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-67.2	-34.1	-179.3	0	0	0	0	0	115.1	L789 W790 S791 D816	G787-L789 PolarHBondContact O-N 3.25Å; G787-W790 PolarHBondContact O-N 3.2Å; G787-S791 WeakPolarHBondContact O-CB 3.3Å; G787-S791 PolarHBondContact O-N 2.86Å; G787-D816 VanDerWaalsContact CA-CG 3.47Å; G787-D816 WeakPolarHBondContact CA-OD1 3.48Å
788	I	87.1	Confident	87.8	Confident	29 Å²	29	42 Å²	42	15%	0.149	22%	0.219	C	C	.	.	H	α-helix	trans	-63.6	-41.5	177.6	57.7	175	0	0	0	111.8	A753 D754 L757 S786 S791 E792 H818	A753-I788 HydrophobicContact CB-CD1 3.69Å; A753-I788 HydrophobicContact CB-CG1 3.89Å; D754-I788 HydrophobicContact CB-CD1 4.5Å; D754-I788 WeakPolarHBondContact OD1-CD1 3.28Å; L757-I788 HydrophobicContact CD1-CB 3.81Å; L757-I788 HydrophobicContact CD1-CD1 4.36Å; L757-I788 HydrophobicContact CD1-CG1 4.25Å; S786-I788 PolarHBondContact O-N 3.31Å; S786-I788 VanDerWaalsContact OG-CG1 3.28Å; S786-I788 WeakPolarHBondContact OG-CG1 3.21Å; I788-S791 PolarHBondContact O-N 3.47Å; I788-S791 PolarHBondContact O-OG 2.85Å; I788-E792 PolarHBondContact O-N 3.46Å; I788-H818 HydrophobicContact CG2-CB 4.3Å
789	L	90.3	Very high	87.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-67.6	-43.7	177.8	-72.5	174.9	0	0	0	111.3	A753 W756 L757 M776 A779 L780 C783 S786 G787 S791 E792 A793	A753-L789 HydrophobicContact CB-CD1 3.84Å; A753-L789 HydrophobicContact CB-CG 3.98Å; W756-L789 HydrophobicContact CB-CD1 4.4Å; W756-L789 HydrophobicContact CB-CD2 3.86Å; L757-L789 HydrophobicContact CB-CD2 3.95Å; M776-L789 HydrophobicContact CE-CD2 4.2Å; M776-L789 VanDerWaalsContact CE-O 3.3Å; M776-L789 WeakPolarHBondContact CE-O 3.4Å; M776-L789 HydrophobicContact SD-CB 4.22Å; M776-L789 HydrophobicContact SD-CD2 4.14Å; A779-L789 HydrophobicContact CB-CD1 3.9Å; A779-L789 HydrophobicContact CB-CD2 3.96Å; L780-L789 HydrophobicContact CD2-CB 3.87Å; C783-L789 HydrophobicContact CB-CD1 3.97Å; S786-L789 PolarHBondContact O-N 3.29Å; G787-L789 PolarHBondContact O-N 3.25Å; L789-S791 VanDerWaalsContact C-N 3.33Å; L789-S791 PolarHBondContact O-N 3.03Å; L789-E792 PolarHBondContact O-N 3.4Å; L789-A793 WeakPolarHBondContact O-CB 3.47Å; L789-A793 PolarHBondContact O-N 3.41Å
790	W	91.3	Very high	87.6	Confident	22 Å²	22	49.2 Å²	49.2	8%	0.083	26%	0.257	C	S	.	.	H	α-helix	trans	-62.8	-39	174.8	-80.3	111.8	0	0	0	112.7	L780 P784 S786 G787 E792 A793 I794 K805 D808 A809 K812 C813 V819	L780-W790 HydrophobicContact CD1-CD2 4.5Å; L780-W790 HydrophobicContact CD1-CE3 4.3Å; L780-W790 HydrophobicContact CD1-CH2 4.22Å; L780-W790 HydrophobicContact CD1-CZ2 4.38Å; L780-W790 HydrophobicContact CD1-CZ3 4.2Å; L780-W790 HydrophobicContact CD2-CD2 3.87Å; L780-W790 HydrophobicContact CD2-CE3 4.47Å; L780-W790 HydrophobicContact CD2-CG 4.1Å; L780-W790 HydrophobicContact CD2-CZ2 4.15Å; P784-W790 PolarHBondContact O-NE1 2.87Å; S786-W790 PolarHBondContact O-N 3.27Å; G787-W790 PolarHBondContact O-N 3.2Å; W790-E792 VanDerWaalsContact C-N 3.28Å; W790-E792 PolarHBondContact O-N 3.03Å; W790-A793 PolarHBondContact O-N 3.15Å; W790-I794 WeakPolarHBondContact O-CD1 3.33Å; W790-I794 VanDerWaalsContact O-CG1 3.26Å; W790-I794 WeakPolarHBondContact O-CG1 3.37Å; W790-I794 PolarHBondContact O-N 2.75Å; W790-K805 HydrophobicContact CZ3-CD 4.05Å; W790-K805 HydrophobicContact CZ3-CG 4.41Å; W790-D808 HydrophobicContact CH2-CB 4.42Å; W790-D808 HydrophobicContact CZ3-CB 4.28Å; W790-A809 HydrophobicContact CB-CB 3.85Å; W790-A809 HydrophobicContact CD2-CB 3.89Å; W790-A809 HydrophobicContact CE3-CB 3.64Å; W790-A809 HydrophobicContact CG-CB 3.98Å; W790-A809 HydrophobicContact CZ3-CB 4.44Å; W790-K812 HydrophobicContact CZ2-CB 4.27Å; W790-K812 HydrophobicContact CZ2-CG 3.87Å; W790-C813 VanDerWaalsContact CD1-SG 3.5Å; W790-V819 HydrophobicContact CB-CG2 3.91Å
791	S	89.3	Confident	87.7	Confident	12 Å²	12	53.4 Å²	53.4	8%	0.084	28%	0.276	C	S	.	.	H	α-helix	trans	-60.5	-39.1	177.6	81.5	0	0	0	0	112.2	G787 I788 L789 H818	G787-S791 WeakPolarHBondContact O-CB 3.3Å; G787-S791 PolarHBondContact O-N 2.86Å; I788-S791 PolarHBondContact O-N 3.47Å; I788-S791 PolarHBondContact O-OG 2.85Å; L789-S791 VanDerWaalsContact C-N 3.33Å; L789-S791 PolarHBondContact O-N 3.03Å; S791-H818 VanDerWaalsContact CB-O 3.3Å; S791-H818 WeakPolarHBondContact CB-O 3.35Å
792	E	88.1	Confident	87.8	Confident	18 Å²	18	47.4 Å²	47.4	8%	0.084	25%	0.247	C	C	.	.	H	α-helix	trans	-78.6	-36	177.2	-169.3	70.5	-140.8	0	0	111.1	L757 R761 M776 I788 L789 W790 I794 F795 L796	L757-E792 HydrophobicContact CD1-CB 4.47Å; R761-E792 IonicContact CZ-OE2 3.57Å; R761-E792 IonicContact NE-OE2 3.86Å; R761-E792 PolarHBondContact NE-OE2 3.32Å; R761-E792 IonicContact NH2-OE2 3.77Å; R761-E792 PolarHBondContact NH2-OE2 2.97Å; M776-E792 HydrophobicContact CE-CB 3.62Å; M776-E792 HydrophobicContact CE-CG 3.8Å; I788-E792 PolarHBondContact O-N 3.46Å; L789-E792 PolarHBondContact O-N 3.4Å; W790-E792 VanDerWaalsContact C-N 3.28Å; W790-E792 PolarHBondContact O-N 3.03Å; E792-I794 VanDerWaalsContact C-N 3.33Å; E792-I794 PolarHBondContact O-N 2.93Å; E792-F795 WeakPolarHBondContact O-CB 3.33Å; E792-F795 PolarHBondContact O-N 3.46Å; E792-L796 WeakPolarHBondContact O-CG 3.23Å; E792-L796 PolarHBondContact O-N 3.23Å
793	A	90.6	Very high	87.9	Confident	2 Å²	2	48.7 Å²	48.7	2%	0.017	25%	0.251	C	S	.	.	H	α-helix	trans	-60.8	-41.4	174.8	0	0	0	0	0	111.7	M776 L780 L789 W790 F795 L796 E797	M776-A793 HydrophobicContact CE-CB 4.28Å; M776-A793 HydrophobicContact CG-CB 3.78Å; M776-A793 HydrophobicContact SD-CB 3.93Å; L780-A793 HydrophobicContact CD1-CB 4.04Å; L789-A793 WeakPolarHBondContact O-CB 3.47Å; L789-A793 PolarHBondContact O-N 3.41Å; W790-A793 PolarHBondContact O-N 3.15Å; A793-F795 PolarHBondContact O-N 2.85Å; A793-L796 PolarHBondContact O-N 2.81Å; A793-E797 VanDerWaalsContact O-CG 3.31Å; A793-E797 WeakPolarHBondContact O-CG 3.36Å; A793-E797 PolarHBondContact O-N 3.5Å
794	I	89.9	Confident	88.4	Confident	5 Å²	5	52.3 Å²	52.3	3%	0.026	27%	0.273	C	S	.	.	H	α-helix	trans	-59.8	-37.3	174	-66.3	161	0	0	0	110.8	W790 E792 R802 K805 A809 A822 L826	W790-I794 WeakPolarHBondContact O-CD1 3.33Å; W790-I794 VanDerWaalsContact O-CG1 3.26Å; W790-I794 WeakPolarHBondContact O-CG1 3.37Å; W790-I794 PolarHBondContact O-N 2.75Å; E792-I794 VanDerWaalsContact C-N 3.33Å; E792-I794 PolarHBondContact O-N 2.93Å; I794-R802 HydrophobicContact CG2-CB 4.28Å; I794-R802 VanDerWaalsContact O-CD 3.23Å; I794-R802 WeakPolarHBondContact O-CD 3.47Å; I794-R802 WeakPolarHBondContact O-CG 3.27Å; I794-R802 PolarHBondContact O-NE 3.42Å; I794-K805 HydrophobicContact CG1-CG 4.4Å; I794-A809 HydrophobicContact CD1-CB 3.84Å; I794-A809 HydrophobicContact CG1-CB 4.39Å; I794-A822 HydrophobicContact CB-CB 4.46Å; I794-A822 HydrophobicContact CD1-CB 3.76Å; I794-L826 HydrophobicContact CG2-CD1 4.08Å
795	F	88.6	Confident	88.6	Confident	70 Å²	70	52 Å²	52	31%	0.307	27%	0.266	S	S	.	.	H	α-helix	trans	-73.2	-39.5	179.9	179.8	-106.8	0	0	0	112.7	Y764 E792 A793 R802	Y764-F795 HydrophobicContact CE1-CE1 4.05Å; E792-F795 WeakPolarHBondContact O-CB 3.33Å; E792-F795 PolarHBondContact O-N 3.46Å; A793-F795 PolarHBondContact O-N 2.85Å; F795-R802 PolarHBondContact O-NE 2.75Å; F795-R802 PolarHBondContact O-NH2 3.28Å
796	L	87.9	Confident	88.8	Confident	19 Å²	19	46.5 Å²	46.5	10%	0.099	24%	0.237	C	C	.	.	H	α-helix	trans	-68.7	-32.2	-179.1	-76.6	177.4	0	0	0	114.4	V760 Y764 N773 M776 E792 A793	V760-L796 HydrophobicContact CG1-CD1 3.41Å; V760-L796 VanDerWaalsContact CG1-CD1 3.41Å; Y764-L796 HydrophobicContact CD2-CD2 3.35Å; Y764-L796 HydrophobicContact CE2-CD2 3.77Å; Y764-L796 HydrophobicContact CG-CD2 4.01Å; N773-L796 WeakPolarHBondContact OD1-CB 3.46Å; M776-L796 HydrophobicContact CB-CD1 4.05Å; M776-L796 HydrophobicContact CE-CD1 4.15Å; M776-L796 HydrophobicContact CG-CD1 4.21Å; E792-L796 WeakPolarHBondContact O-CG 3.23Å; E792-L796 PolarHBondContact O-N 3.23Å; A793-L796 PolarHBondContact O-N 2.81Å
797	E	87.8	Confident	89.1	Confident	48 Å²	48	49.6 Å²	49.6	22%	0.224	26%	0.255	C	S	.	.	S	Bend	trans	-64.5	153.2	177.5	-66.3	-73.4	-171.7	0	0	111.5	A793 R802 K805	A793-E797 VanDerWaalsContact O-CG 3.31Å; A793-E797 WeakPolarHBondContact O-CG 3.36Å; A793-E797 PolarHBondContact O-N 3.5Å; E797-R802 HydrophobicContact CB-CG 4.31Å; E797-R802 PolarHBondContact O-NE 3.11Å; E797-K805 HydrophobicContact CG-CB 4.27Å; E797-K805 HydrophobicContact CG-CD 4.2Å; E797-K805 HydrophobicContact CG-CG 3.97Å; E797-K805 IonicContact OE1-NZ 3.82Å; E797-K805 PolarHBondContact OE1-NZ 3.13Å
798	A	88.1	Confident	89.3	Confident	54 Å²	54	53.4 Å²	53.4	45%	0.446	28%	0.275	S	S	.	.			trans	-62.2	144	175.5	0	0	0	0	0	110.8	P800 Q801 R802	A798-P800 VanDerWaalsContact C-CD 3.4Å; A798-P800 VanDerWaalsContact C-N 3.33Å; A798-Q801 PolarHBondContact O-N 3.46Å; A798-R802 WeakPolarHBondContact O-CG 3.22Å; A798-R802 PolarHBondContact O-N 3.03Å
799	R	85.9	Confident	89.5	Confident	151 Å²	151	52 Å²	52	57%	0.57	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.7	-45.4	-173	-69.1	-178.3	177.1	174.9	1	115.1	Q801 R802 F917	R799-Q801 PolarHBondContact O-N 3.21Å; R799-R802 PolarHBondContact O-N 3.33Å; R799-F917 PolarHBondContact NH2-O 3.12Å; R799-F917 PolarHBondContact NH2-OXT 2.93Å
800	P	89.6	Confident	89.4	Confident	114 Å²	114	53.5 Å²	53.5	74%	0.74	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-32.3	179.3	-19.6	33	0	0	0	114.3	A798	A798-P800 VanDerWaalsContact C-CD 3.4Å; A798-P800 VanDerWaalsContact C-N 3.33Å
801	Q	90	Very high	89.3	Confident	107 Å²	107	60.4 Å²	60.4	50%	0.5	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-15.7	-175.9	-66.6	166.9	-11.3	0	0	112.4	A798 R799 K803 T804 K805	A798-Q801 PolarHBondContact O-N 3.46Å; R799-Q801 PolarHBondContact O-N 3.21Å; Q801-K803 PolarHBondContact O-N 3.23Å; Q801-T804 PolarHBondContact O-N 2.77Å; Q801-T804 PolarHBondContact O-OG1 2.97Å; Q801-K805 PolarHBondContact O-N 2.69Å; Q801-K805 VanDerWaalsContact O-N 3.12Å
802	R	90.1	Very high	89.2	Confident	35 Å²	35	65.6 Å²	65.6	13%	0.132	33%	0.327	C	S	.	.	H	α-helix	trans	-57.7	-34.8	178.5	-58.8	-169.9	176.4	167.4	-9.4	112.4	I794 F795 E797 A798 R799 K805 S806 L826	I794-R802 HydrophobicContact CG2-CB 4.28Å; I794-R802 VanDerWaalsContact O-CD 3.23Å; I794-R802 WeakPolarHBondContact O-CD 3.47Å; I794-R802 WeakPolarHBondContact O-CG 3.27Å; I794-R802 PolarHBondContact O-NE 3.42Å; F795-R802 PolarHBondContact O-NE 2.75Å; F795-R802 PolarHBondContact O-NH2 3.28Å; E797-R802 HydrophobicContact CB-CG 4.31Å; E797-R802 PolarHBondContact O-NE 3.11Å; A798-R802 WeakPolarHBondContact O-CG 3.22Å; A798-R802 PolarHBondContact O-N 3.03Å; R799-R802 PolarHBondContact O-N 3.33Å; R802-K805 PolarHBondContact O-N 3.34Å; R802-S806 WeakPolarHBondContact O-CB 3.41Å; R802-S806 PolarHBondContact O-N 3.11Å; R802-S806 PolarHBondContact O-OG 3.38Å; R802-L826 HydrophobicContact CB-CD1 3.65Å; R802-L826 HydrophobicContact CB-CG 4.37Å; R802-L826 WeakPolarHBondContact O-CD1 3.49Å
803	K	88.9	Confident	88.9	Confident	121 Å²	121	65.3 Å²	65.3	53%	0.526	33%	0.327	S	S	.	.	H	α-helix	trans	-62.4	-50.9	-178.8	-171.1	-178.2	177.6	-167.6	0	111.5	Q801 S806 V807	Q801-K803 PolarHBondContact O-N 3.23Å; K803-S806 PolarHBondContact O-N 2.91Å; K803-S806 PolarHBondContact O-OG 2.97Å; K803-V807 WeakPolarHBondContact O-CG2 3.2Å; K803-V807 PolarHBondContact O-N 3.47Å
804	T	91.7	Very high	88.2	Confident	94 Å²	94	71.5 Å²	71.5	58%	0.577	36%	0.355	S	S	*	.	H	α-helix	trans	-67	-42.6	178.7	52.9	0	0	0	0	111.2	Q801 S806 V807 D808	Q801-T804 PolarHBondContact O-N 2.77Å; Q801-T804 PolarHBondContact O-OG1 2.97Å; T804-S806 VanDerWaalsContact C-N 3.28Å; T804-S806 PolarHBondContact O-N 3.39Å; T804-V807 WeakPolarHBondContact O-CB 3.3Å; T804-V807 PolarHBondContact O-N 3.49Å; T804-V807 VanDerWaalsContact O-N 3.1Å; T804-D808 PolarHBondContact O-N 3.04Å
805	K	90.3	Very high	87.7	Confident	45 Å²	45	77.9 Å²	77.9	20%	0.196	39%	0.385	C	S	.	.	H	α-helix	trans	-59.8	-38	176.2	-164.4	73.8	166.8	-153.5	0	112.8	W790 I794 E797 Q801 R802 V807 D808 A809	W790-K805 HydrophobicContact CZ3-CD 4.05Å; W790-K805 HydrophobicContact CZ3-CG 4.41Å; I794-K805 HydrophobicContact CG1-CG 4.4Å; E797-K805 HydrophobicContact CG-CB 4.27Å; E797-K805 HydrophobicContact CG-CD 4.2Å; E797-K805 HydrophobicContact CG-CG 3.97Å; E797-K805 IonicContact OE1-NZ 3.82Å; E797-K805 PolarHBondContact OE1-NZ 3.13Å; Q801-K805 PolarHBondContact O-N 2.69Å; Q801-K805 VanDerWaalsContact O-N 3.12Å; R802-K805 PolarHBondContact O-N 3.34Å; K805-V807 VanDerWaalsContact C-N 3.34Å; K805-D808 PolarHBondContact O-N 3.08Å; K805-A809 WeakPolarHBondContact O-CB 3.27Å; K805-A809 PolarHBondContact O-N 3.26Å
806	S	89.5	Confident	87.6	Confident	7 Å²	7	76.5 Å²	76.5	5%	0.049	38%	0.381	C	S	.	.	H	α-helix	trans	-68.3	-33.2	177.5	75.3	0	0	0	0	112.5	R802 K803 T804 A809 L810	R802-S806 WeakPolarHBondContact O-CB 3.41Å; R802-S806 PolarHBondContact O-N 3.11Å; R802-S806 PolarHBondContact O-OG 3.38Å; K803-S806 PolarHBondContact O-N 2.91Å; K803-S806 PolarHBondContact O-OG 2.97Å; T804-S806 VanDerWaalsContact C-N 3.28Å; T804-S806 PolarHBondContact O-N 3.39Å; S806-A809 WeakPolarHBondContact O-CB 3.4Å; S806-A809 PolarHBondContact O-N 3.29Å; S806-L810 VanDerWaalsContact O-CG 3.3Å; S806-L810 WeakPolarHBondContact O-CG 3.48Å; S806-L810 PolarHBondContact O-N 3.19Å
807	V	91.4	Very high	87.6	Confident	87 Å²	87	76.4 Å²	76.4	53%	0.527	38%	0.381	S	S	.	.	H	α-helix	trans	-69	-41	172.8	174.4	0	0	0	0	110.7	K803 T804 K805 A809 L810 K811	K803-V807 WeakPolarHBondContact O-CG2 3.2Å; K803-V807 PolarHBondContact O-N 3.47Å; T804-V807 WeakPolarHBondContact O-CB 3.3Å; T804-V807 PolarHBondContact O-N 3.49Å; T804-V807 VanDerWaalsContact O-N 3.1Å; K805-V807 VanDerWaalsContact C-N 3.34Å; V807-A809 VanDerWaalsContact C-N 3.32Å; V807-A809 PolarHBondContact O-N 2.71Å; V807-L810 PolarHBondContact O-N 2.88Å; V807-K811 PolarHBondContact O-N 2.79Å
808	D	89.9	Confident	87.6	Confident	81 Å²	81	76.5 Å²	76.5	43%	0.433	38%	0.382	S	S	.	.	H	α-helix	trans	-61.8	-42.3	173.8	-69.1	-25.1	0	0	0	111.4	W790 T804 K805 K811 K812	W790-D808 HydrophobicContact CH2-CB 4.42Å; W790-D808 HydrophobicContact CZ3-CB 4.28Å; T804-D808 PolarHBondContact O-N 3.04Å; K805-D808 PolarHBondContact O-N 3.08Å; D808-K811 PolarHBondContact O-N 3.4Å; D808-K812 WeakPolarHBondContact O-CG 3.34Å; D808-K812 PolarHBondContact O-N 3.3Å
809	A	89.5	Confident	87.8	Confident	0 Å²	0	74 Å²	74	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-60	-45.7	175.7	0	0	0	0	0	111.9	W790 I794 K805 S806 V807 K811 K812 C813 V819	W790-A809 HydrophobicContact CB-CB 3.85Å; W790-A809 HydrophobicContact CD2-CB 3.89Å; W790-A809 HydrophobicContact CE3-CB 3.64Å; W790-A809 HydrophobicContact CG-CB 3.98Å; W790-A809 HydrophobicContact CZ3-CB 4.44Å; I794-A809 HydrophobicContact CD1-CB 3.84Å; I794-A809 HydrophobicContact CG1-CB 4.39Å; K805-A809 WeakPolarHBondContact O-CB 3.27Å; K805-A809 PolarHBondContact O-N 3.26Å; S806-A809 WeakPolarHBondContact O-CB 3.4Å; S806-A809 PolarHBondContact O-N 3.29Å; V807-A809 VanDerWaalsContact C-N 3.32Å; V807-A809 PolarHBondContact O-N 2.71Å; A809-K811 PolarHBondContact O-N 3.16Å; A809-K812 PolarHBondContact O-N 3.13Å; A809-C813 PolarHBondContact O-N 3.47Å; A809-V819 HydrophobicContact CB-CG1 3.68Å
810	L	88.8	Confident	88	Confident	31 Å²	31	67 Å²	67	16%	0.162	33%	0.334	C	S	.	.	H	α-helix	trans	-63.8	-39.5	176	-70.6	170.8	0	0	0	112	S806 V807 K812 C813 E814 V819 L820 V823 W839	S806-L810 VanDerWaalsContact O-CG 3.3Å; S806-L810 WeakPolarHBondContact O-CG 3.48Å; S806-L810 PolarHBondContact O-N 3.19Å; V807-L810 PolarHBondContact O-N 2.88Å; L810-K812 PolarHBondContact O-N 3.12Å; L810-C813 CarbonylContact O-C 3.58Å; L810-C813 PolarHBondContact O-N 3.13Å; L810-E814 WeakPolarHBondContact O-CA 3.49Å; L810-E814 VanDerWaalsContact O-CB 3.25Å; L810-E814 WeakPolarHBondContact O-CB 3.14Å; L810-E814 PolarHBondContact O-N 3.28Å; L810-E814 VanDerWaalsContact O-N 3.09Å; L810-V819 HydrophobicContact CD2-CG1 3.87Å; L810-V819 HydrophobicContact CG-CG1 4.24Å; L810-L820 HydrophobicContact CD2-CD2 3.71Å; L810-V823 HydrophobicContact CD1-CG2 4.05Å; L810-V823 HydrophobicContact CD2-CG2 4.27Å; L810-V823 HydrophobicContact CG-CG2 4.15Å; L810-W839 HydrophobicContact CD1-CH2 3.55Å; L810-W839 HydrophobicContact CD1-CZ3 3.94Å; L810-W839 HydrophobicContact CD2-CH2 4.29Å; L810-W839 HydrophobicContact CD2-CZ3 3.93Å
811	K	89.9	Confident	88	Confident	168 Å²	168	61.8 Å²	61.8	73%	0.73	30%	0.3	S	S	*	.	H	α-helix	trans	-64.3	-30.5	176.4	-175.7	178.9	177.3	-176.6	0	112.5	V807 D808 A809	V807-K811 PolarHBondContact O-N 2.79Å; D808-K811 PolarHBondContact O-N 3.4Å; A809-K811 PolarHBondContact O-N 3.16Å
812	K	86.9	Confident	88	Confident	121 Å²	121	56.9 Å²	56.9	53%	0.526	28%	0.279	S	S	.	.	H	α-helix	trans	-86.6	-37.6	179.2	-66.9	-66.4	-176.3	177.5	0	112.6	W790 D808 A809 L810	W790-K812 HydrophobicContact CZ2-CB 4.27Å; W790-K812 HydrophobicContact CZ2-CG 3.87Å; D808-K812 WeakPolarHBondContact O-CG 3.34Å; D808-K812 PolarHBondContact O-N 3.3Å; A809-K812 PolarHBondContact O-N 3.13Å; L810-K812 PolarHBondContact O-N 3.12Å
813	C	81.7	Confident	88.1	Confident	12 Å²	12	55.4 Å²	55.4	8%	0.081	27%	0.273	C	S	.	.	S	Bend	trans	-137.6	71.6	-173.1	-49.5	0	0	0	0	109.7	N785 W790 A809 L810 H815 D816 V819	N785-C813 PolarHBondContact O-SG 3.06Å; W790-C813 VanDerWaalsContact CD1-SG 3.5Å; A809-C813 PolarHBondContact O-N 3.47Å; L810-C813 CarbonylContact O-C 3.58Å; L810-C813 PolarHBondContact O-N 3.13Å; C813-H815 PolarHBondContact O-N 2.97Å; C813-D816 HydrophobicContact CB-CB 3.99Å; C813-V819 HydrophobicContact CB-CG2 4.08Å
814	E	75.8	Confident	88.2	Confident	131 Å²	131	49.6 Å²	49.6	61%	0.612	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-29.4	-168	-163.8	166.9	-175.9	0	0	114	L810	L810-E814 WeakPolarHBondContact O-CA 3.49Å; L810-E814 VanDerWaalsContact O-CB 3.25Å; L810-E814 WeakPolarHBondContact O-CB 3.14Å; L810-E814 PolarHBondContact O-N 3.28Å; L810-E814 VanDerWaalsContact O-N 3.09Å
815	H	80.1	Confident	88.1	Confident	140 Å²	140	48 Å²	48	65%	0.648	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.4	21.7	-178.1	-55.5	-37.9	0	0	0	113.1	C813 I846	C813-H815 PolarHBondContact O-N 2.97Å; H815-I846 WeakPolarHBondContact O-CG2 3.47Å
816	D	86.4	Confident	88.1	Confident	41 Å²	41	46.4 Å²	46.4	22%	0.219	23%	0.226	C	C	.	.			trans	-88.5	125	178	-168.9	-76.6	0	0	0	112.1	G787 C813 H818 V819 L820	G787-D816 VanDerWaalsContact CA-CG 3.47Å; G787-D816 WeakPolarHBondContact CA-OD1 3.48Å; C813-D816 HydrophobicContact CB-CB 3.99Å; D816-H818 VanDerWaalsContact C-N 3.32Å; D816-H818 PolarHBondContact O-N 3.09Å; D816-H818 WeakPolarHBondContact OD1-CA 3.36Å; D816-H818 VanDerWaalsContact OD1-CB 3.31Å; D816-H818 WeakPolarHBondContact OD1-CB 3.21Å; D816-H818 IonicContact OD1-CD2 3.6Å; D816-H818 IonicContact OD1-CG 3.86Å; D816-H818 PolarHBondContact OD1-N 3.44Å; D816-V819 HydrophobicContact CB-CB 4.41Å; D816-V819 HydrophobicContact CB-CG2 4.09Å; D816-V819 PolarHBondContact O-N 3.44Å; D816-V819 PolarHBondContact OD1-N 2.87Å; D816-L820 WeakPolarHBondContact O-CG 3.45Å; D816-L820 PolarHBondContact O-N 3.02Å; D816-L820 VanDerWaalsContact O-N 3.16Å
817	P	87.8	Confident	88.2	Confident	17 Å²	17	47.5 Å²	47.5	11%	0.11	23%	0.23	C	C	.	.	H	α-helix	trans	-59.2	-36.1	-179.3	-25.9	35.5	0	0	0	114.3	L821 T843 I846 D847 L850	P817-L821 WeakPolarHBondContact O-CB 3.46Å; P817-L821 PolarHBondContact O-N 3.39Å; P817-T843 WeakPolarHBondContact O-CG2 3.37Å; P817-I846 HydrophobicContact CG-CG2 4.24Å; P817-D847 HydrophobicContact CB-CB 3.86Å; P817-D847 HydrophobicContact CG-CB 3.2Å; P817-L850 HydrophobicContact CB-CD1 3.46Å; P817-L850 VanDerWaalsContact CB-CD1 3.46Å; P817-L850 HydrophobicContact CG-CD1 4.44Å
818	H	88	Confident	88.2	Confident	50 Å²	50	43.8 Å²	43.8	23%	0.231	21%	0.207	C	C	.	.	H	α-helix	trans	-71.1	-33.4	-178.2	-65.9	-84.8	0	0	0	111.8	I788 S791 D816 A822 L850	I788-H818 HydrophobicContact CG2-CB 4.3Å; S791-H818 VanDerWaalsContact CB-O 3.3Å; S791-H818 WeakPolarHBondContact CB-O 3.35Å; D816-H818 VanDerWaalsContact C-N 3.32Å; D816-H818 PolarHBondContact O-N 3.09Å; D816-H818 WeakPolarHBondContact OD1-CA 3.36Å; D816-H818 VanDerWaalsContact OD1-CB 3.31Å; D816-H818 WeakPolarHBondContact OD1-CB 3.21Å; D816-H818 IonicContact OD1-CD2 3.6Å; D816-H818 IonicContact OD1-CG 3.86Å; D816-H818 PolarHBondContact OD1-N 3.44Å; H818-A822 WeakPolarHBondContact O-CB 3.26Å; H818-A822 PolarHBondContact O-N 2.88Å; H818-L850 VanDerWaalsContact CE1-CD1 3.45Å; H818-L850 WeakPolarHBondContact CE1-CD1 3.24Å; H818-L850 WeakPolarHBondContact NE2-CD1 3.49Å
819	V	91	Very high	88	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-71.3	-45.5	175.9	179.9	0	0	0	0	110.6	W790 A809 L810 C813 D816 L821 A822 V823	W790-V819 HydrophobicContact CB-CG2 3.91Å; A809-V819 HydrophobicContact CB-CG1 3.68Å; L810-V819 HydrophobicContact CD2-CG1 3.87Å; L810-V819 HydrophobicContact CG-CG1 4.24Å; C813-V819 HydrophobicContact CB-CG2 4.08Å; D816-V819 HydrophobicContact CB-CB 4.41Å; D816-V819 HydrophobicContact CB-CG2 4.09Å; D816-V819 PolarHBondContact O-N 3.44Å; D816-V819 PolarHBondContact OD1-N 2.87Å; V819-L821 VanDerWaalsContact C-N 3.28Å; V819-L821 PolarHBondContact O-N 3.34Å; V819-A822 WeakPolarHBondContact O-CB 3.47Å; V819-A822 PolarHBondContact O-N 2.75Å; V819-A822 VanDerWaalsContact O-N 3.1Å; V819-V823 WeakPolarHBondContact O-CG2 3.48Å; V819-V823 PolarHBondContact O-N 3.44Å
820	L	90.4	Very high	88	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-59.9	-41.4	174.8	-61.6	179.3	0	0	0	111.2	L810 D816 A822 V823 A824 W839 R842 T843 I846	L810-L820 HydrophobicContact CD2-CD2 3.71Å; D816-L820 WeakPolarHBondContact O-CG 3.45Å; D816-L820 PolarHBondContact O-N 3.02Å; D816-L820 VanDerWaalsContact O-N 3.16Å; L820-A822 VanDerWaalsContact C-N 3.34Å; L820-A822 PolarHBondContact O-N 2.8Å; L820-V823 PolarHBondContact O-N 2.82Å; L820-A824 WeakPolarHBondContact O-CB 3.46Å; L820-A824 PolarHBondContact O-N 3.21Å; L820-W839 HydrophobicContact CD2-CE3 3.86Å; L820-W839 HydrophobicContact CD2-CZ3 3.44Å; L820-W839 VanDerWaalsContact CD2-CZ3 3.44Å; L820-R842 HydrophobicContact CD1-CG 4.34Å; L820-T843 HydrophobicContact CB-CG2 4.24Å; L820-T843 VanDerWaalsContact CB-OG1 3.31Å; L820-T843 WeakPolarHBondContact CB-OG1 3.29Å; L820-I846 HydrophobicContact CD1-CB 4.2Å; L820-I846 HydrophobicContact CD1-CG1 3.75Å
821	L	90.9	Very high	88	Confident	5 Å²	5	53.9 Å²	53.9	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-61.4	-40.8	173.8	-177.6	57.5	0	0	0	112.2	P817 V819 A824 K825 F840 T843 L850 D852 A853 F856	P817-L821 WeakPolarHBondContact O-CB 3.46Å; P817-L821 PolarHBondContact O-N 3.39Å; V819-L821 VanDerWaalsContact C-N 3.28Å; V819-L821 PolarHBondContact O-N 3.34Å; L821-A824 PolarHBondContact O-N 3.24Å; L821-K825 WeakPolarHBondContact O-CB 3.19Å; L821-K825 VanDerWaalsContact O-CG 3.31Å; L821-K825 WeakPolarHBondContact O-CG 3.46Å; L821-K825 PolarHBondContact O-N 2.92Å; L821-F840 HydrophobicContact CD1-CD1 4.4Å; L821-F840 HydrophobicContact CD1-CE1 3.94Å; L821-T843 HydrophobicContact CB-CG2 3.94Å; L821-T843 PolarHBondContact N-OG1 2.93Å; L821-L850 HydrophobicContact CD2-CD2 4.32Å; L821-D852 HydrophobicContact CD2-CB 4.19Å; L821-A853 HydrophobicContact CD1-CB 4.26Å; L821-A853 HydrophobicContact CD2-CB 4.34Å; L821-F856 HydrophobicContact CD1-CB 3.96Å; L821-F856 HydrophobicContact CD1-CD2 3.89Å; L821-F856 HydrophobicContact CD1-CG 4.27Å; L821-F856 HydrophobicContact CD2-CD2 3.9Å; L821-F856 HydrophobicContact CD2-CE2 4.3Å; L821-F856 HydrophobicContact CG-CD2 4.17Å
822	A	90.1	Very high	88.1	Confident	5 Å²	5	50 Å²	50	4%	0.041	23%	0.229	C	C	.	.	H	α-helix	trans	-65.4	-39.3	175.7	0	0	0	0	0	112.4	I794 H818 V819 L820 K825 L826	I794-A822 HydrophobicContact CB-CB 4.46Å; I794-A822 HydrophobicContact CD1-CB 3.76Å; H818-A822 WeakPolarHBondContact O-CB 3.26Å; H818-A822 PolarHBondContact O-N 2.88Å; V819-A822 WeakPolarHBondContact O-CB 3.47Å; V819-A822 PolarHBondContact O-N 2.75Å; V819-A822 VanDerWaalsContact O-N 3.1Å; L820-A822 VanDerWaalsContact C-N 3.34Å; L820-A822 PolarHBondContact O-N 2.8Å; A822-K825 PolarHBondContact O-N 3.08Å; A822-L826 WeakPolarHBondContact O-CB 3.32Å; A822-L826 PolarHBondContact O-N 2.94Å
823	V	91	Very high	88.3	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.018	22%	0.22	C	C	.	.	H	α-helix	trans	-65.8	-42.3	174.3	175.4	0	0	0	0	110.9	L810 V819 L820 K825 L826 F827 W839	L810-V823 HydrophobicContact CD1-CG2 4.05Å; L810-V823 HydrophobicContact CD2-CG2 4.27Å; L810-V823 HydrophobicContact CG-CG2 4.15Å; V819-V823 WeakPolarHBondContact O-CG2 3.48Å; V819-V823 PolarHBondContact O-N 3.44Å; L820-V823 PolarHBondContact O-N 2.82Å; V823-K825 PolarHBondContact O-N 3.07Å; V823-L826 WeakPolarHBondContact O-CB 3.38Å; V823-L826 PolarHBondContact O-N 3.34Å; V823-L826 VanDerWaalsContact O-N 3.14Å; V823-F827 HydrophobicContact CG1-CD2 3.77Å; V823-F827 HydrophobicContact CG1-CE2 3.39Å; V823-F827 HydrophobicContact CG1-CZ 4.3Å; V823-F827 WeakPolarHBondContact O-CD2 3.31Å; V823-F827 PolarHBondContact O-N 3.47Å; V823-W839 HydrophobicContact CB-CD2 4.46Å; V823-W839 HydrophobicContact CB-CE3 3.97Å; V823-W839 HydrophobicContact CB-CZ3 4.24Å; V823-W839 HydrophobicContact CG1-CD2 3.62Å; V823-W839 HydrophobicContact CG1-CE3 3.54Å; V823-W839 HydrophobicContact CG1-CG 4.19Å; V823-W839 HydrophobicContact CG1-CH2 4.2Å; V823-W839 HydrophobicContact CG1-CZ2 4.26Å; V823-W839 HydrophobicContact CG1-CZ3 3.83Å; V823-W839 HydrophobicContact CG2-CZ3 4.5Å
824	A	91.4	Very high	88.8	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.6	-44.6	175.2	0	0	0	0	0	111.4	L820 L821 L826 F827 W828 W839 F840	L820-A824 WeakPolarHBondContact O-CB 3.46Å; L820-A824 PolarHBondContact O-N 3.21Å; L821-A824 PolarHBondContact O-N 3.24Å; A824-L826 VanDerWaalsContact C-N 3.31Å; A824-L826 PolarHBondContact O-N 2.98Å; A824-F827 PolarHBondContact O-N 3.48Å; A824-W828 WeakPolarHBondContact O-CB 3.45Å; A824-W828 PolarHBondContact O-N 3.34Å; A824-W839 HydrophobicContact CB-CB 3.96Å; A824-F840 HydrophobicContact CB-CD1 3.61Å; A824-F840 HydrophobicContact CB-CD2 4.09Å; A824-F840 HydrophobicContact CB-CE1 3.58Å; A824-F840 HydrophobicContact CB-CE2 4.05Å; A824-F840 HydrophobicContact CB-CG 3.85Å; A824-F840 HydrophobicContact CB-CZ 3.8Å
825	K	89.4	Confident	89.6	Confident	60 Å²	60	51.1 Å²	51.1	26%	0.261	24%	0.241	S	C	.	.	H	α-helix	trans	-61.3	-36.3	172.3	-73.1	-176	-58.6	-177.3	0	112.5	L821 A822 V823 W828 S829 F856	L821-K825 WeakPolarHBondContact O-CB 3.19Å; L821-K825 VanDerWaalsContact O-CG 3.31Å; L821-K825 WeakPolarHBondContact O-CG 3.46Å; L821-K825 PolarHBondContact O-N 2.92Å; A822-K825 PolarHBondContact O-N 3.08Å; V823-K825 PolarHBondContact O-N 3.07Å; K825-W828 PolarHBondContact O-N 3.45Å; K825-S829 VanDerWaalsContact O-CB 3.32Å; K825-S829 WeakPolarHBondContact O-CB 3.19Å; K825-S829 PolarHBondContact O-N 3.48Å; K825-F856 HydrophobicContact CD-CD1 4.02Å; K825-F856 HydrophobicContact CD-CD2 4.13Å; K825-F856 HydrophobicContact CD-CE1 3.9Å; K825-F856 HydrophobicContact CD-CE2 4.05Å; K825-F856 HydrophobicContact CD-CG 4.15Å; K825-F856 HydrophobicContact CD-CZ 3.93Å; K825-F856 HydrophobicContact CG-CD1 4.37Å; K825-F856 HydrophobicContact CG-CG 4.4Å
826	L	90.8	Very high	90.2	Very high	11 Å²	11	44.4 Å²	44.4	6%	0.058	21%	0.211	C	C	.	.	H	α-helix	trans	-64.4	-49.7	175.6	-173.8	165	0	0	0	110.7	I794 R802 A822 V823 A824 W828 S829 E830	I794-L826 HydrophobicContact CG2-CD1 4.08Å; R802-L826 HydrophobicContact CB-CD1 3.65Å; R802-L826 HydrophobicContact CB-CG 4.37Å; R802-L826 WeakPolarHBondContact O-CD1 3.49Å; A822-L826 WeakPolarHBondContact O-CB 3.32Å; A822-L826 PolarHBondContact O-N 2.94Å; V823-L826 WeakPolarHBondContact O-CB 3.38Å; V823-L826 PolarHBondContact O-N 3.34Å; V823-L826 VanDerWaalsContact O-N 3.14Å; A824-L826 VanDerWaalsContact C-N 3.31Å; A824-L826 PolarHBondContact O-N 2.98Å; L826-W828 VanDerWaalsContact C-N 3.29Å; L826-W828 PolarHBondContact O-N 3.47Å; L826-S829 WeakPolarHBondContact O-CB 3.33Å; L826-S829 PolarHBondContact O-N 2.91Å; L826-S829 VanDerWaalsContact O-N 3.12Å; L826-E830 HydrophobicContact CD2-CG 4.05Å; L826-E830 WeakPolarHBondContact CD2-OE1 3.45Å; L826-E830 PolarHBondContact O-N 3.49Å
827	F	91.5	Very high	90.4	Very high	30 Å²	30	44.7 Å²	44.7	13%	0.132	21%	0.208	C	C	.	.	H	α-helix	trans	-64.2	-34.9	177.6	-72.7	-51.1	0	0	0	112.8	V823 A824 E830 R831 K832 K835 A836 W839	V823-F827 HydrophobicContact CG1-CD2 3.77Å; V823-F827 HydrophobicContact CG1-CE2 3.39Å; V823-F827 HydrophobicContact CG1-CZ 4.3Å; V823-F827 WeakPolarHBondContact O-CD2 3.31Å; V823-F827 PolarHBondContact O-N 3.47Å; A824-F827 PolarHBondContact O-N 3.48Å; F827-E830 CarbonylContact O-C 3.6Å; F827-E830 PolarHBondContact O-N 2.68Å; F827-R831 PolarHBondContact O-N 3.42Å; F827-R831 VanDerWaalsContact O-N 3.14Å; F827-K832 HydrophobicContact CD1-CD 4.24Å; F827-K832 PolarHBondContact O-N 3.22Å; F827-K835 HydrophobicContact CD2-CB 4.46Å; F827-K835 HydrophobicContact CG-CB 4.32Å; F827-A836 HydrophobicContact CB-CB 3.83Å; F827-W839 HydrophobicContact CD2-CB 4.5Å; F827-W839 AromaticContact CD2-CD1 3.6Å; F827-W839 AromaticContact CD2-CG 3.94Å; F827-W839 HydrophobicContact CD2-CG 3.94Å; F827-W839 AromaticContact CD2-NE1 3.98Å; F827-W839 AromaticContact CE2-CD1 3.48Å; F827-W839 VanDerWaalsContact CE2-CD1 3.48Å; F827-W839 HydrophobicContact CE2-CD2 4.13Å; F827-W839 AromaticContact CE2-CE2 3.76Å; F827-W839 AromaticContact CE2-CG 3.96Å; F827-W839 HydrophobicContact CE2-CG 3.96Å; F827-W839 HydrophobicContact CE2-CZ2 4.48Å; F827-W839 AromaticContact CE2-NE1 3.35Å; F827-W839 VanDerWaalsContact CE2-NE1 3.35Å
828	W	90.7	Very high	90.7	Very high	10 Å²	10	48.7 Å²	48.7	4%	0.038	23%	0.226	C	C	.	.	H	α-helix	trans	-65.4	-41.7	172.1	-176	23.8	0	0	0	111.7	A824 K825 L826 E830 R831 A836 F840 F856 K859 F860 Q863 H864 F917	A824-W828 WeakPolarHBondContact O-CB 3.45Å; A824-W828 PolarHBondContact O-N 3.34Å; K825-W828 PolarHBondContact O-N 3.45Å; L826-W828 VanDerWaalsContact C-N 3.29Å; L826-W828 PolarHBondContact O-N 3.47Å; W828-E830 VanDerWaalsContact C-N 3.32Å; W828-E830 PolarHBondContact O-N 3.37Å; W828-R831 WeakPolarHBondContact O-CA 3.48Å; W828-R831 PolarHBondContact O-N 3.14Å; W828-A836 HydrophobicContact CB-CB 4.32Å; W828-F840 HydrophobicContact CE3-CZ 4.33Å; W828-F856 HydrophobicContact CZ3-CD1 4.27Å; W828-K859 HydrophobicContact CH2-CB 4.35Å; W828-K859 HydrophobicContact CH2-CD 3.94Å; W828-K859 HydrophobicContact CH2-CG 3.9Å; W828-K859 HydrophobicContact CZ2-CG 4.48Å; W828-F860 HydrophobicContact CB-CD2 4.41Å; W828-F860 AromaticContact CD1-CD2 3.66Å; W828-F860 HydrophobicContact CD2-CB 4.43Å; W828-F860 HydrophobicContact CD2-CD2 4.1Å; W828-F860 AromaticContact CG-CD2 3.82Å; W828-F860 HydrophobicContact CG-CD2 3.82Å; W828-F860 HydrophobicContact CG-CE2 4.44Å; W828-F860 HydrophobicContact CZ2-CB 4.5Å; W828-F860 AromaticContact NE1-CD2 3.82Å; W828-Q863 VanDerWaalsContact CZ2-OE1 3.22Å; W828-H864 AromaticContact CD1-CD2 3.82Å; W828-H864 AromaticContact CD1-NE2 3.69Å; W828-H864 AromaticContact NE1-CD2 3.42Å; W828-H864 PolarHBondContact NE1-CD2 3.34Å; W828-H864 AromaticContact NE1-NE2 3.26Å; W828-H864 PolarHBondContact NE1-NE2 2.95Å; W828-F917 HydrophobicContact CD2-CE1 4.12Å; W828-F917 AromaticContact CD2-CZ 3.55Å; W828-F917 HydrophobicContact CD2-CZ 3.55Å; W828-F917 AromaticContact CE2-CZ 3.62Å; W828-F917 HydrophobicContact CE3-CE1 4.2Å; W828-F917 AromaticContact CE3-CZ 3.84Å; W828-F917 HydrophobicContact CE3-CZ 3.84Å; W828-F917 HydrophobicContact CG-CE1 4.31Å; W828-F917 AromaticContact CG-CZ 3.94Å; W828-F917 HydrophobicContact CG-CZ 3.94Å; W828-F917 HydrophobicContact CH2-CZ 4.26Å; W828-F917 HydrophobicContact CZ2-CE2 4.48Å; W828-F917 HydrophobicContact CZ2-CZ 4.01Å; W828-F917 HydrophobicContact CZ3-CZ 4.18Å; W828-F917 AromaticContact NE1-CZ 3.97Å
829	S	86.8	Confident	90.9	Very high	36 Å²	36	48.1 Å²	48.1	25%	0.252	22%	0.221	S	C	.	.	H	α-helix	trans	-62.3	-36.6	174.2	-174.3	0	0	0	0	112.7	K825 L826 R831 F917	K825-S829 VanDerWaalsContact O-CB 3.32Å; K825-S829 WeakPolarHBondContact O-CB 3.19Å; K825-S829 PolarHBondContact O-N 3.48Å; L826-S829 WeakPolarHBondContact O-CB 3.33Å; L826-S829 PolarHBondContact O-N 2.91Å; L826-S829 VanDerWaalsContact O-N 3.12Å; S829-R831 PolarHBondContact O-N 3.17Å; S829-F917 VanDerWaalsContact CB-CD1 3.49Å; S829-F917 WeakPolarHBondContact OG-CD1 3.22Å
830	E	88.1	Confident	90.9	Very high	73 Å²	73	48.1 Å²	48.1	34%	0.341	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-0.2	173	-68.8	-173.1	174.6	0	0	113.6	L826 F827 W828 K832	L826-E830 HydrophobicContact CD2-CG 4.05Å; L826-E830 WeakPolarHBondContact CD2-OE1 3.45Å; L826-E830 PolarHBondContact O-N 3.49Å; F827-E830 CarbonylContact O-C 3.6Å; F827-E830 PolarHBondContact O-N 2.68Å; W828-E830 VanDerWaalsContact C-N 3.32Å; W828-E830 PolarHBondContact O-N 3.37Å; E830-K832 HydrophobicContact CB-CD 4.4Å; E830-K832 HydrophobicContact CB-CG 4.43Å; E830-K832 PolarHBondContact O-N 3.5Å; E830-K832 WeakPolarHBondContact OE2-CE 3.32Å; E830-K832 IonicContact OE2-NZ 3.65Å; E830-K832 PolarHBondContact OE2-NZ 3.17Å
831	R	88.8	Confident	90.9	Very high	214 Å²	214	50.6 Å²	50.6	81%	0.808	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.3	23.3	-177.5	-56.1	-176.8	173.6	-171.6	-2.4	115.1	F827 W828 S829 I833	F827-R831 PolarHBondContact O-N 3.42Å; F827-R831 VanDerWaalsContact O-N 3.14Å; W828-R831 WeakPolarHBondContact O-CA 3.48Å; W828-R831 PolarHBondContact O-N 3.14Å; S829-R831 PolarHBondContact O-N 3.17Å; R831-I833 PolarHBondContact O-N 2.87Å; R831-I833 VanDerWaalsContact O-N 3.17Å
832	K	92.7	Very high	90.9	Very high	88 Å²	88	55.3 Å²	55.3	38%	0.383	25%	0.25	S	S	.	.			trans	-87.6	76.5	174.9	-68.3	173.3	-176.3	158.1	0	110.3	F827 E830 T834 K835 A836	F827-K832 HydrophobicContact CD1-CD 4.24Å; F827-K832 PolarHBondContact O-N 3.22Å; E830-K832 HydrophobicContact CB-CD 4.4Å; E830-K832 HydrophobicContact CB-CG 4.43Å; E830-K832 PolarHBondContact O-N 3.5Å; E830-K832 WeakPolarHBondContact OE2-CE 3.32Å; E830-K832 IonicContact OE2-NZ 3.65Å; E830-K832 PolarHBondContact OE2-NZ 3.17Å; K832-T834 PolarHBondContact O-N 3.1Å; K832-K835 PolarHBondContact O-N 3.23Å; K832-A836 WeakPolarHBondContact O-CB 3.11Å; K832-A836 PolarHBondContact O-N 3.31Å
833	I	91.9	Very high	90.8	Very high	65 Å²	65	55.1 Å²	55.1	33%	0.333	25%	0.248	S	C	.	.	H	α-helix	trans	-59.8	-40.3	-170.2	59.4	175.8	0	0	0	114.5	R831 A836 R837 F860 H864	R831-I833 PolarHBondContact O-N 2.87Å; R831-I833 VanDerWaalsContact O-N 3.17Å; I833-A836 PolarHBondContact O-N 3.03Å; I833-R837 WeakPolarHBondContact O-CB 3.33Å; I833-R837 PolarHBondContact O-N 2.89Å; I833-F860 HydrophobicContact CB-CE2 4.41Å; I833-F860 HydrophobicContact CB-CZ 4.33Å; I833-F860 HydrophobicContact CG2-CE2 4.32Å; I833-F860 WeakPolarHBondContact O-CZ 3.31Å; I833-H864 HydrophobicContact CG2-CB 4.14Å
834	T	91.5	Very high	90.8	Very high	105 Å²	105	55.4 Å²	55.4	64%	0.644	25%	0.25	S	S	*	.	H	α-helix	trans	-66	-46	-177.5	49.1	0	0	0	0	111.4	K832 E838	K832-T834 PolarHBondContact O-N 3.1Å; T834-E838 PolarHBondContact O-N 2.94Å
835	K	92.8	Very high	90.6	Very high	116 Å²	116	64 Å²	64	50%	0.504	29%	0.288	S	S	.	.	H	α-helix	trans	-66.9	-45.8	174.1	-69.1	-172.3	176.8	-174.9	0	111	F827 K832 R837 E838 W839	F827-K835 HydrophobicContact CD2-CB 4.46Å; F827-K835 HydrophobicContact CG-CB 4.32Å; K832-K835 PolarHBondContact O-N 3.23Å; K835-R837 VanDerWaalsContact C-N 3.25Å; K835-R837 PolarHBondContact O-N 2.69Å; K835-E838 PolarHBondContact O-N 3.29Å; K835-E838 VanDerWaalsContact O-N 3.14Å; K835-W839 PolarHBondContact O-N 3.05Å
836	A	91.8	Very high	90.6	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-54.2	-44.3	178.7	0	0	0	0	0	111.7	F827 W828 K832 I833 W839 F840 F860	F827-A836 HydrophobicContact CB-CB 3.83Å; W828-A836 HydrophobicContact CB-CB 4.32Å; K832-A836 WeakPolarHBondContact O-CB 3.11Å; K832-A836 PolarHBondContact O-N 3.31Å; I833-A836 PolarHBondContact O-N 3.03Å; A836-W839 PolarHBondContact O-N 3.3Å; A836-F840 HydrophobicContact CB-CD2 4.48Å; A836-F840 HydrophobicContact CB-CE2 4.34Å; A836-F840 WeakPolarHBondContact O-CD2 3.32Å; A836-F840 PolarHBondContact O-N 3.48Å; A836-F860 HydrophobicContact CB-CE2 3.9Å; A836-F860 HydrophobicContact CB-CZ 4.09Å
837	R	91.2	Very high	90.2	Very high	46 Å²	46	67 Å²	67	17%	0.174	31%	0.306	C	S	.	.	H	α-helix	trans	-60.5	-46.7	176.4	-173	171.7	-67.8	123.5	-1.8	113	I833 K835 W839 F840 H841 F860 E861 H864	I833-R837 WeakPolarHBondContact O-CB 3.33Å; I833-R837 PolarHBondContact O-N 2.89Å; K835-R837 VanDerWaalsContact C-N 3.25Å; K835-R837 PolarHBondContact O-N 2.69Å; R837-W839 VanDerWaalsContact C-N 3.29Å; R837-W839 PolarHBondContact O-N 2.89Å; R837-F840 PolarHBondContact O-N 3.41Å; R837-H841 PolarHBondContact O-CD2 3.23Å; R837-H841 VanDerWaalsContact O-CD2 3.25Å; R837-H841 PolarHBondContact O-N 2.8Å; R837-F860 HydrophobicContact CB-CE1 3.85Å; R837-F860 HydrophobicContact CB-CZ 4.12Å; R837-F860 HydrophobicContact CG-CE1 4.32Å; R837-E861 IonicContact CZ-OE1 3.54Å; R837-E861 IonicContact CZ-OE2 2.76Å; R837-E861 IonicContact NE-OE1 3.58Å; R837-E861 PolarHBondContact NE-OE1 3.24Å; R837-E861 IonicContact NE-OE2 3.05Å; R837-E861 PolarHBondContact NE-OE2 3.43Å; R837-E861 IonicContact NH2-OE1 3.27Å; R837-E861 IonicContact NH2-OE2 3.34Å; R837-E861 PolarHBondContact NH2-OE2 3.38Å; R837-H864 PolarHBondContact NH2-O 3.04Å
838	E	93	Very high	89.9	Confident	102 Å²	102	68.1 Å²	68.1	48%	0.477	32%	0.317	S	S	.	.	H	α-helix	trans	-58.6	-43	176.4	-166.4	-161.4	147.5	0	0	111.5	T834 K835 H841 R842	T834-E838 PolarHBondContact O-N 2.94Å; K835-E838 PolarHBondContact O-N 3.29Å; K835-E838 VanDerWaalsContact O-N 3.14Å; E838-H841 PolarHBondContact O-N 3.46Å; E838-R842 WeakPolarHBondContact O-CB 3.48Å; E838-R842 PolarHBondContact O-N 3.35Å; E838-R842 IonicContact OE1-CZ 3.49Å; E838-R842 IonicContact OE1-NH2 3.88Å; E838-R842 PolarHBondContact OE1-NH2 3.29Å
839	W	92.1	Very high	89.7	Confident	37 Å²	37	69.9 Å²	69.9	14%	0.14	33%	0.327	C	S	.	.	H	α-helix	trans	-70.3	-34.9	178.2	-78.5	84.9	0	0	0	112.7	L810 L820 V823 A824 F827 K835 A836 R837 R842 T843	L810-W839 HydrophobicContact CD1-CH2 3.55Å; L810-W839 HydrophobicContact CD1-CZ3 3.94Å; L810-W839 HydrophobicContact CD2-CH2 4.29Å; L810-W839 HydrophobicContact CD2-CZ3 3.93Å; L820-W839 HydrophobicContact CD2-CE3 3.86Å; L820-W839 HydrophobicContact CD2-CZ3 3.44Å; L820-W839 VanDerWaalsContact CD2-CZ3 3.44Å; V823-W839 HydrophobicContact CB-CD2 4.46Å; V823-W839 HydrophobicContact CB-CE3 3.97Å; V823-W839 HydrophobicContact CB-CZ3 4.24Å; V823-W839 HydrophobicContact CG1-CD2 3.62Å; V823-W839 HydrophobicContact CG1-CE3 3.54Å; V823-W839 HydrophobicContact CG1-CG 4.19Å; V823-W839 HydrophobicContact CG1-CH2 4.2Å; V823-W839 HydrophobicContact CG1-CZ2 4.26Å; V823-W839 HydrophobicContact CG1-CZ3 3.83Å; V823-W839 HydrophobicContact CG2-CZ3 4.5Å; A824-W839 HydrophobicContact CB-CB 3.96Å; F827-W839 HydrophobicContact CD2-CB 4.5Å; F827-W839 AromaticContact CD2-CD1 3.6Å; F827-W839 AromaticContact CD2-CG 3.94Å; F827-W839 HydrophobicContact CD2-CG 3.94Å; F827-W839 AromaticContact CD2-NE1 3.98Å; F827-W839 AromaticContact CE2-CD1 3.48Å; F827-W839 VanDerWaalsContact CE2-CD1 3.48Å; F827-W839 HydrophobicContact CE2-CD2 4.13Å; F827-W839 AromaticContact CE2-CE2 3.76Å; F827-W839 AromaticContact CE2-CG 3.96Å; F827-W839 HydrophobicContact CE2-CG 3.96Å; F827-W839 HydrophobicContact CE2-CZ2 4.48Å; F827-W839 AromaticContact CE2-NE1 3.35Å; F827-W839 VanDerWaalsContact CE2-NE1 3.35Å; K835-W839 PolarHBondContact O-N 3.05Å; A836-W839 PolarHBondContact O-N 3.3Å; R837-W839 VanDerWaalsContact C-N 3.29Å; R837-W839 PolarHBondContact O-N 2.89Å; W839-R842 PolarHBondContact O-N 3.47Å; W839-T843 WeakPolarHBondContact O-CB 3.21Å; W839-T843 PolarHBondContact O-N 3.24Å; W839-T843 PolarHBondContact O-OG1 3.32Å
840	F	91.4	Very high	89.6	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-65	-45.7	171.5	-79.2	-61.2	0	0	0	111.8	L821 A824 W828 A836 R837 R842 T843 V844 F856 F857 F860	L821-F840 HydrophobicContact CD1-CD1 4.4Å; L821-F840 HydrophobicContact CD1-CE1 3.94Å; A824-F840 HydrophobicContact CB-CD1 3.61Å; A824-F840 HydrophobicContact CB-CD2 4.09Å; A824-F840 HydrophobicContact CB-CE1 3.58Å; A824-F840 HydrophobicContact CB-CE2 4.05Å; A824-F840 HydrophobicContact CB-CG 3.85Å; A824-F840 HydrophobicContact CB-CZ 3.8Å; W828-F840 HydrophobicContact CE3-CZ 4.33Å; A836-F840 HydrophobicContact CB-CD2 4.48Å; A836-F840 HydrophobicContact CB-CE2 4.34Å; A836-F840 WeakPolarHBondContact O-CD2 3.32Å; A836-F840 PolarHBondContact O-N 3.48Å; R837-F840 PolarHBondContact O-N 3.41Å; F840-R842 VanDerWaalsContact C-N 3.3Å; F840-R842 PolarHBondContact O-N 3.39Å; F840-T843 WeakPolarHBondContact O-CB 3.46Å; F840-T843 PolarHBondContact O-N 2.79Å; F840-T843 VanDerWaalsContact O-N 3.13Å; F840-V844 WeakPolarHBondContact O-CG2 2.82Å; F840-V844 PolarHBondContact O-N 3.38Å; F840-F856 HydrophobicContact CE1-CB 3.96Å; F840-F856 HydrophobicContact CZ-CB 4.45Å; F840-F857 HydrophobicContact CB-CB 4.42Å; F840-F857 HydrophobicContact CB-CD2 3.35Å; F840-F857 HydrophobicContact CB-CE2 3.7Å; F840-F857 HydrophobicContact CB-CG 3.96Å; F840-F857 HydrophobicContact CD1-CB 4.01Å; F840-F857 HydrophobicContact CD1-CD2 4.26Å; F840-F857 HydrophobicContact CD1-CG 4.45Å; F840-F857 HydrophobicContact CD2-CD2 4.11Å; F840-F857 HydrophobicContact CG-CB 4.31Å; F840-F857 AromaticContact CG-CD2 3.68Å; F840-F857 HydrophobicContact CG-CD2 3.68Å; F840-F857 HydrophobicContact CG-CE2 4.4Å; F840-F857 HydrophobicContact CG-CG 4.28Å; F840-F860 HydrophobicContact CD2-CB 4.27Å; F840-F860 AromaticContact CD2-CD1 3.72Å; F840-F860 HydrophobicContact CD2-CD1 3.72Å; F840-F860 HydrophobicContact CD2-CD2 4.41Å; F840-F860 HydrophobicContact CD2-CE1 4.16Å; F840-F860 AromaticContact CD2-CG 3.86Å; F840-F860 HydrophobicContact CD2-CG 3.86Å; F840-F860 HydrophobicContact CE2-CB 3.71Å; F840-F860 AromaticContact CE2-CD1 3.9Å; F840-F860 HydrophobicContact CE2-CD1 3.9Å; F840-F860 AromaticContact CE2-CD2 3.84Å; F840-F860 HydrophobicContact CE2-CD2 3.84Å; F840-F860 HydrophobicContact CE2-CE2 4.47Å; F840-F860 AromaticContact CE2-CG 3.52Å; F840-F860 HydrophobicContact CE2-CG 3.52Å; F840-F860 HydrophobicContact CZ-CB 4.15Å; F840-F860 HydrophobicContact CZ-CG 4.42Å
841	H	90.9	Very high	89.4	Confident	57 Å²	57	64.7 Å²	64.7	26%	0.264	30%	0.299	S	S	.	.	H	α-helix	trans	-58.9	-41.7	173.7	-76.3	-54.5	0	0	0	112.1	R837 E838 T843 V844 K845 F857 R876	R837-H841 PolarHBondContact O-CD2 3.23Å; R837-H841 VanDerWaalsContact O-CD2 3.25Å; R837-H841 PolarHBondContact O-N 2.8Å; E838-H841 PolarHBondContact O-N 3.46Å; H841-T843 VanDerWaalsContact C-N 3.35Å; H841-V844 WeakPolarHBondContact O-CG2 3.34Å; H841-K845 VanDerWaalsContact O-CB 3.26Å; H841-K845 WeakPolarHBondContact O-CB 3.43Å; H841-K845 PolarHBondContact O-N 3.13Å; H841-K845 VanDerWaalsContact O-N 3.09Å; H841-F857 AromaticContact CE1-CZ 3.55Å; H841-F857 AromaticContact ND1-CZ 3.71Å; H841-R876 PolarHBondContact ND1-NH1 3.39Å
842	R	90.4	Very high	89.1	Confident	104 Å²	104	55.1 Å²	55.1	39%	0.392	26%	0.264	S	S	.	.	H	α-helix	trans	-61.7	-43.6	174.5	-166.6	179.7	-61.4	-170.4	1	111.4	L820 E838 W839 F840 K845 I846	L820-R842 HydrophobicContact CD1-CG 4.34Å; E838-R842 WeakPolarHBondContact O-CB 3.48Å; E838-R842 PolarHBondContact O-N 3.35Å; E838-R842 IonicContact OE1-CZ 3.49Å; E838-R842 IonicContact OE1-NH2 3.88Å; E838-R842 PolarHBondContact OE1-NH2 3.29Å; W839-R842 PolarHBondContact O-N 3.47Å; F840-R842 VanDerWaalsContact C-N 3.3Å; F840-R842 PolarHBondContact O-N 3.39Å; R842-K845 PolarHBondContact O-N 3.1Å; R842-I846 WeakPolarHBondContact O-CG1 3.18Å; R842-I846 PolarHBondContact O-N 3.1Å; R842-I846 VanDerWaalsContact O-N 3.12Å
843	T	89.6	Confident	88.9	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.4	-53.6	179.4	-55.7	0	0	0	0	111.2	P817 L820 L821 W839 F840 H841 K845 I846 D847 A853	P817-T843 WeakPolarHBondContact O-CG2 3.37Å; L820-T843 HydrophobicContact CB-CG2 4.24Å; L820-T843 VanDerWaalsContact CB-OG1 3.31Å; L820-T843 WeakPolarHBondContact CB-OG1 3.29Å; L821-T843 HydrophobicContact CB-CG2 3.94Å; L821-T843 PolarHBondContact N-OG1 2.93Å; W839-T843 WeakPolarHBondContact O-CB 3.21Å; W839-T843 PolarHBondContact O-N 3.24Å; W839-T843 PolarHBondContact O-OG1 3.32Å; F840-T843 WeakPolarHBondContact O-CB 3.46Å; F840-T843 PolarHBondContact O-N 2.79Å; F840-T843 VanDerWaalsContact O-N 3.13Å; H841-T843 VanDerWaalsContact C-N 3.35Å; T843-K845 PolarHBondContact O-N 3.12Å; T843-I846 PolarHBondContact O-N 2.92Å; T843-D847 PolarHBondContact O-N 3.21Å; T843-A853 HydrophobicContact CG2-CB 3.75Å
844	V	89.3	Confident	88.8	Confident	9 Å²	9	48.1 Å²	48.1	6%	0.055	23%	0.231	C	C	.	.	H	α-helix	trans	-70.4	-18.6	-177.8	-58.9	0	0	0	0	113.4	F840 H841 D847 S848 A853 W854 F857	F840-V844 WeakPolarHBondContact O-CG2 2.82Å; F840-V844 PolarHBondContact O-N 3.38Å; H841-V844 WeakPolarHBondContact O-CG2 3.34Å; V844-D847 CarbonylContact O-C 3.51Å; V844-S848 WeakPolarHBondContact O-CB 3.42Å; V844-A853 HydrophobicContact CG1-CB 4.35Å; V844-W854 HydrophobicContact CB-CE3 4.49Å; V844-W854 HydrophobicContact CB-CH2 3.58Å; V844-W854 HydrophobicContact CB-CZ2 3.68Å; V844-W854 HydrophobicContact CB-CZ3 4.03Å; V844-W854 HydrophobicContact CG1-CD2 4Å; V844-W854 HydrophobicContact CG1-CE3 3.93Å; V844-W854 HydrophobicContact CG1-CH2 3.94Å; V844-W854 HydrophobicContact CG1-CZ2 4.04Å; V844-W854 HydrophobicContact CG1-CZ3 3.89Å; V844-W854 HydrophobicContact CG2-CH2 3.87Å; V844-W854 HydrophobicContact CG2-CZ2 4.43Å; V844-W854 HydrophobicContact CG2-CZ3 4.21Å; V844-F857 HydrophobicContact CG1-CD1 4.11Å
845	K	88.8	Confident	88.6	Confident	182 Å²	182	43.1 Å²	43.1	79%	0.791	20%	0.2	S	C	*	.	H	α-helix	trans	-81.5	-35.1	176.3	-175.4	60.7	177.8	-179.5	0	112.5	H841 R842 T843	H841-K845 VanDerWaalsContact O-CB 3.26Å; H841-K845 WeakPolarHBondContact O-CB 3.43Å; H841-K845 PolarHBondContact O-N 3.13Å; H841-K845 VanDerWaalsContact O-N 3.09Å; R842-K845 PolarHBondContact O-N 3.1Å; T843-K845 PolarHBondContact O-N 3.12Å
846	I	88.1	Confident	88.4	Confident	82 Å²	82	38.9 Å²	38.9	42%	0.421	18%	0.182	S	C	.	.	H	α-helix	trans	-70.8	-49	177.1	-66.8	-67.1	0	0	0	110.2	H815 P817 L820 R842 T843	H815-I846 WeakPolarHBondContact O-CG2 3.47Å; P817-I846 HydrophobicContact CG-CG2 4.24Å; L820-I846 HydrophobicContact CD1-CB 4.2Å; L820-I846 HydrophobicContact CD1-CG1 3.75Å; R842-I846 WeakPolarHBondContact O-CG1 3.18Å; R842-I846 PolarHBondContact O-N 3.1Å; R842-I846 VanDerWaalsContact O-N 3.12Å; T843-I846 PolarHBondContact O-N 2.92Å
847	D	83.3	Confident	88.3	Confident	52 Å²	52	39 Å²	39	28%	0.278	18%	0.182	S	C	.	.			trans	-138.4	115.9	171.7	-171.5	5.7	0	0	0	110.5	P817 T843 V844 D849	P817-D847 HydrophobicContact CB-CB 3.86Å; P817-D847 HydrophobicContact CG-CB 3.2Å; T843-D847 PolarHBondContact O-N 3.21Å; V844-D847 CarbonylContact O-C 3.51Å; D847-D849 VanDerWaalsContact OD1-CB 3.3Å; D847-D849 WeakPolarHBondContact OD1-CB 3.39Å; D847-D849 PolarHBondContact OD1-N 2.96Å
848	S	84.1	Confident	88.2	Confident	52 Å²	52	38.2 Å²	38.2	36%	0.364	18%	0.18	S	C	.	.	S	Bend	trans	-91.5	-8.3	177.4	64.9	0	0	0	0	112.5	V844 W854 A880	V844-S848 WeakPolarHBondContact O-CB 3.42Å; S848-W854 PolarHBondContact O-NE1 3.35Å; S848-A880 WeakPolarHBondContact O-CB 3.25Å
849	D	86.3	Confident	88	Confident	47 Å²	47	34.4 Å²	34.4	25%	0.251	16%	0.162	S	C	.	.	S	Bend	trans	-84.7	-12	179.8	-167.2	22.5	0	0	0	112.8	D847 G851 P882 R883 H884	D847-D849 VanDerWaalsContact OD1-CB 3.3Å; D847-D849 WeakPolarHBondContact OD1-CB 3.39Å; D847-D849 PolarHBondContact OD1-N 2.96Å; D849-G851 PolarHBondContact O-N 3.48Å; D849-P882 WeakPolarHBondContact O-CA 3.42Å; D849-P882 VanDerWaalsContact O-CB 3.22Å; D849-P882 WeakPolarHBondContact O-CB 3.27Å; D849-P882 WeakPolarHBondContact OD1-CA 3.31Å; D849-R883 PolarHBondContact O-N 3.3Å; D849-R883 VanDerWaalsContact O-N 3.09Å; D849-R883 WeakPolarHBondContact OD1-CB 3.17Å; D849-R883 PolarHBondContact OD1-N 3.48Å; D849-H884 PolarHBondContact O-N 3.5Å; D849-H884 VanDerWaalsContact O-N 3.13Å; D849-H884 IonicContact OD1-ND1 3.54Å; D849-H884 IonicContact OD2-CE1 2.84Å; D849-H884 PolarHBondContact OD2-CE1 3.39Å; D849-H884 VanDerWaalsContact OD2-CE1 3.23Å; D849-H884 IonicContact OD2-CG 2.7Å; D849-H884 IonicContact OD2-ND1 2.63Å; D849-H884 PolarHBondContact OD2-ND1 3.09Å
850	L	85.6	Confident	87.9	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.005	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-81.2	101.9	178.2	-159.1	169.6	0	0	0	111.2	P817 H818 L821 D852 A853 W854	P817-L850 HydrophobicContact CB-CD1 3.46Å; P817-L850 VanDerWaalsContact CB-CD1 3.46Å; P817-L850 HydrophobicContact CG-CD1 4.44Å; H818-L850 VanDerWaalsContact CE1-CD1 3.45Å; H818-L850 WeakPolarHBondContact CE1-CD1 3.24Å; H818-L850 WeakPolarHBondContact NE2-CD1 3.49Å; L821-L850 HydrophobicContact CD2-CD2 4.32Å; L850-D852 HydrophobicContact CD2-CB 3.6Å; L850-D852 PolarHBondContact O-N 2.88Å; L850-A853 HydrophobicContact CB-CB 4.48Å; L850-A853 HydrophobicContact CD2-CB 3.92Å; L850-A853 WeakPolarHBondContact O-CB 3.41Å; L850-A853 PolarHBondContact O-N 3.05Å; L850-W854 VanDerWaalsContact O-CD1 3.3Å
851	G	83.5	Confident	87.8	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65	-33	-177.4	0	0	0	0	0	114.9	D849 A853 W854 A855 H884	D849-G851 PolarHBondContact O-N 3.48Å; G851-A853 VanDerWaalsContact C-N 3.25Å; G851-A853 PolarHBondContact O-N 2.92Å; G851-W854 PolarHBondContact O-N 3.39Å; G851-A855 PolarHBondContact O-N 3.47Å; G851-H884 WeakPolarHBondContact CA-O 3.45Å; G851-H884 PolarHBondContact N-O 3.13Å
852	D	83.6	Confident	87.6	Confident	12 Å²	12	34 Å²	34	6%	0.064	16%	0.163	C	C	.	.	H	α-helix	trans	-62.7	-34.1	175.8	-54.2	-19.5	0	0	0	111.3	L821 L850 A855 F856 G885 E886 L887 W888	L821-D852 HydrophobicContact CD2-CB 4.19Å; L850-D852 HydrophobicContact CD2-CB 3.6Å; L850-D852 PolarHBondContact O-N 2.88Å; D852-A855 PolarHBondContact O-N 2.87Å; D852-F856 HydrophobicContact CB-CD2 4.44Å; D852-F856 HydrophobicContact CB-CE2 4.33Å; D852-F856 WeakPolarHBondContact O-CD2 3.31Å; D852-F856 PolarHBondContact O-N 2.71Å; D852-G885 VanDerWaalsContact CG-CA 3.47Å; D852-G885 WeakPolarHBondContact OD1-CA 3.35Å; D852-G885 VanDerWaalsContact OD2-CA 3.29Å; D852-G885 WeakPolarHBondContact OD2-CA 3.48Å; D852-E886 PolarHBondContact OD1-N 3.19Å; D852-E886 PolarHBondContact OD2-N 2.69Å; D852-L887 WeakPolarHBondContact OD1-CA 3.4Å; D852-L887 WeakPolarHBondContact OD1-CB 3.37Å; D852-L887 PolarHBondContact OD1-N 3.32Å; D852-W888 PolarHBondContact OD1-N 2.58Å
853	A	88.4	Confident	87.5	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.3	-43.5	177.8	0	0	0	0	0	110.9	L821 T843 V844 L850 G851 F857	L821-A853 HydrophobicContact CD1-CB 4.26Å; L821-A853 HydrophobicContact CD2-CB 4.34Å; T843-A853 HydrophobicContact CG2-CB 3.75Å; V844-A853 HydrophobicContact CG1-CB 4.35Å; L850-A853 HydrophobicContact CB-CB 4.48Å; L850-A853 HydrophobicContact CD2-CB 3.92Å; L850-A853 WeakPolarHBondContact O-CB 3.41Å; L850-A853 PolarHBondContact O-N 3.05Å; G851-A853 VanDerWaalsContact C-N 3.25Å; G851-A853 PolarHBondContact O-N 2.92Å; A853-F857 WeakPolarHBondContact O-CB 3.43Å; A853-F857 PolarHBondContact O-N 2.78Å
854	W	88.9	Confident	87.3	Confident	6 Å²	6	36.5 Å²	36.5	2%	0.023	18%	0.18	C	C	.	.	H	α-helix	trans	-64.7	-39.8	173.4	-63.9	107.8	0	0	0	112.5	V844 S848 L850 G851 F857 Y858 V873 R876 C877 A880 L906	V844-W854 HydrophobicContact CB-CE3 4.49Å; V844-W854 HydrophobicContact CB-CH2 3.58Å; V844-W854 HydrophobicContact CB-CZ2 3.68Å; V844-W854 HydrophobicContact CB-CZ3 4.03Å; V844-W854 HydrophobicContact CG1-CD2 4Å; V844-W854 HydrophobicContact CG1-CE3 3.93Å; V844-W854 HydrophobicContact CG1-CH2 3.94Å; V844-W854 HydrophobicContact CG1-CZ2 4.04Å; V844-W854 HydrophobicContact CG1-CZ3 3.89Å; V844-W854 HydrophobicContact CG2-CH2 3.87Å; V844-W854 HydrophobicContact CG2-CZ2 4.43Å; V844-W854 HydrophobicContact CG2-CZ3 4.21Å; S848-W854 PolarHBondContact O-NE1 3.35Å; L850-W854 VanDerWaalsContact O-CD1 3.3Å; G851-W854 PolarHBondContact O-N 3.39Å; W854-F857 HydrophobicContact CE3-CD1 4.17Å; W854-F857 HydrophobicContact CZ3-CD1 4.15Å; W854-F857 HydrophobicContact CZ3-CE1 4.43Å; W854-F857 PolarHBondContact O-N 3.38Å; W854-Y858 VanDerWaalsContact O-CB 3.31Å; W854-Y858 WeakPolarHBondContact O-CB 3.4Å; W854-Y858 PolarHBondContact O-N 3.43Å; W854-V873 HydrophobicContact CE3-CG1 3.89Å; W854-V873 HydrophobicContact CZ3-CG1 4.26Å; W854-R876 HydrophobicContact CH2-CB 3.47Å; W854-R876 VanDerWaalsContact CH2-CB 3.47Å; W854-R876 HydrophobicContact CZ2-CB 4.47Å; W854-R876 HydrophobicContact CZ3-CB 3.62Å; W854-C877 HydrophobicContact CB-CB 4.39Å; W854-C877 HydrophobicContact CD2-CB 3.93Å; W854-C877 HydrophobicContact CE3-CB 3.94Å; W854-C877 HydrophobicContact CG-CB 4.13Å; W854-A880 HydrophobicContact CZ2-CB 4.21Å; W854-L906 HydrophobicContact CB-CD1 3.88Å
855	A	87.6	Confident	87.2	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.1	-48.8	178.5	0	0	0	0	0	112.1	G851 D852 K859 V909 L913	G851-A855 PolarHBondContact O-N 3.47Å; D852-A855 PolarHBondContact O-N 2.87Å; A855-K859 WeakPolarHBondContact O-CB 3.31Å; A855-K859 PolarHBondContact O-N 3.49Å; A855-K859 VanDerWaalsContact O-N 3.11Å; A855-V909 HydrophobicContact CB-CB 3.99Å; A855-V909 HydrophobicContact CB-CG2 3.43Å; A855-V909 VanDerWaalsContact CB-CG2 3.43Å; A855-L913 HydrophobicContact CB-CD1 4.21Å
856	F	88.8	Confident	87.3	Confident	27 Å²	27	32.2 Å²	32.2	12%	0.118	17%	0.173	C	C	.	.	H	α-helix	trans	-68.4	-36.1	176.5	-72.8	-66.1	0	0	0	112	L821 K825 W828 F840 D852 F860 L887 L913	L821-F856 HydrophobicContact CD1-CB 3.96Å; L821-F856 HydrophobicContact CD1-CD2 3.89Å; L821-F856 HydrophobicContact CD1-CG 4.27Å; L821-F856 HydrophobicContact CD2-CD2 3.9Å; L821-F856 HydrophobicContact CD2-CE2 4.3Å; L821-F856 HydrophobicContact CG-CD2 4.17Å; K825-F856 HydrophobicContact CD-CD1 4.02Å; K825-F856 HydrophobicContact CD-CD2 4.13Å; K825-F856 HydrophobicContact CD-CE1 3.9Å; K825-F856 HydrophobicContact CD-CE2 4.05Å; K825-F856 HydrophobicContact CD-CG 4.15Å; K825-F856 HydrophobicContact CD-CZ 3.93Å; K825-F856 HydrophobicContact CG-CD1 4.37Å; K825-F856 HydrophobicContact CG-CG 4.4Å; W828-F856 HydrophobicContact CZ3-CD1 4.27Å; F840-F856 HydrophobicContact CE1-CB 3.96Å; F840-F856 HydrophobicContact CZ-CB 4.45Å; D852-F856 HydrophobicContact CB-CD2 4.44Å; D852-F856 HydrophobicContact CB-CE2 4.33Å; D852-F856 WeakPolarHBondContact O-CD2 3.31Å; D852-F856 PolarHBondContact O-N 2.71Å; F856-F860 VanDerWaalsContact O-CB 3.3Å; F856-F860 WeakPolarHBondContact O-CB 3.41Å; F856-F860 PolarHBondContact O-N 2.83Å; F856-L887 HydrophobicContact CE2-CD1 3.85Å; F856-L887 HydrophobicContact CZ-CD1 3.75Å; F856-L913 HydrophobicContact CD1-CD1 3.67Å; F856-L913 HydrophobicContact CD1-CD2 4.25Å; F856-L913 HydrophobicContact CE1-CD1 3.73Å; F856-L913 HydrophobicContact CE1-CD2 3.42Å; F856-L913 VanDerWaalsContact CE1-CD2 3.42Å; F856-L913 HydrophobicContact CE1-CG 4.19Å; F856-L913 HydrophobicContact CG-CD1 4.25Å; F856-L913 HydrophobicContact CZ-CD1 4.34Å; F856-L913 HydrophobicContact CZ-CD2 3.59Å
857	F	89.8	Confident	87.3	Confident	2 Å²	2	36 Å²	36	1%	0.009	19%	0.189	C	C	.	.	H	α-helix	trans	-68.5	-45.2	179.3	-175.6	-146.2	0	0	0	112.1	F840 H841 V844 A853 W854 K859 F860 E861 V873	F840-F857 HydrophobicContact CB-CB 4.42Å; F840-F857 HydrophobicContact CB-CD2 3.35Å; F840-F857 HydrophobicContact CB-CE2 3.7Å; F840-F857 HydrophobicContact CB-CG 3.96Å; F840-F857 HydrophobicContact CD1-CB 4.01Å; F840-F857 HydrophobicContact CD1-CD2 4.26Å; F840-F857 HydrophobicContact CD1-CG 4.45Å; F840-F857 HydrophobicContact CD2-CD2 4.11Å; F840-F857 HydrophobicContact CG-CB 4.31Å; F840-F857 AromaticContact CG-CD2 3.68Å; F840-F857 HydrophobicContact CG-CD2 3.68Å; F840-F857 HydrophobicContact CG-CE2 4.4Å; F840-F857 HydrophobicContact CG-CG 4.28Å; H841-F857 AromaticContact CE1-CZ 3.55Å; H841-F857 AromaticContact ND1-CZ 3.71Å; V844-F857 HydrophobicContact CG1-CD1 4.11Å; A853-F857 WeakPolarHBondContact O-CB 3.43Å; A853-F857 PolarHBondContact O-N 2.78Å; W854-F857 HydrophobicContact CE3-CD1 4.17Å; W854-F857 HydrophobicContact CZ3-CD1 4.15Å; W854-F857 HydrophobicContact CZ3-CE1 4.43Å; W854-F857 PolarHBondContact O-N 3.38Å; F857-K859 VanDerWaalsContact C-N 3.34Å; F857-K859 PolarHBondContact O-N 2.9Å; F857-F860 HydrophobicContact CD2-CD1 4.2Å; F857-F860 HydrophobicContact CE2-CD1 4.39Å; F857-F860 WeakPolarHBondContact O-CB 3.22Å; F857-F860 PolarHBondContact O-N 3.14Å; F857-E861 HydrophobicContact CD2-CG 4.14Å; F857-E861 HydrophobicContact CE2-CG 3.8Å; F857-E861 WeakPolarHBondContact CE2-OE1 3.26Å; F857-E861 HydrophobicContact CZ-CG 4.36Å; F857-E861 PolarHBondContact O-N 3.4Å; F857-V873 HydrophobicContact CB-CG1 4.46Å; F857-V873 HydrophobicContact CD1-CB 4.15Å; F857-V873 HydrophobicContact CD1-CG1 3.5Å; F857-V873 VanDerWaalsContact CD1-CG1 3.5Å; F857-V873 HydrophobicContact CD1-CG2 3.57Å; F857-V873 HydrophobicContact CD2-CG2 4.41Å; F857-V873 HydrophobicContact CE1-CB 4.1Å; F857-V873 HydrophobicContact CE1-CG1 3.96Å; F857-V873 HydrophobicContact CE1-CG2 3.21Å; F857-V873 HydrophobicContact CE2-CG2 4.13Å; F857-V873 HydrophobicContact CG-CG1 4.12Å; F857-V873 HydrophobicContact CG-CG2 4.15Å; F857-V873 HydrophobicContact CZ-CG2 3.51Å
858	Y	89.4	Confident	87.6	Confident	30 Å²	30	41 Å²	41	12%	0.118	21%	0.211	C	C	.	.	H	α-helix	trans	-62.8	-42.3	176.1	-176.5	-116.2	0	0	0	111.4	W854 F860 E861 L862 Q870 V873 L906 V907 A910	W854-Y858 VanDerWaalsContact O-CB 3.31Å; W854-Y858 WeakPolarHBondContact O-CB 3.4Å; W854-Y858 PolarHBondContact O-N 3.43Å; Y858-F860 VanDerWaalsContact C-N 3.34Å; Y858-F860 PolarHBondContact O-N 2.85Å; Y858-E861 PolarHBondContact O-N 3.48Å; Y858-L862 HydrophobicContact CD1-CD1 3.83Å; Y858-L862 HydrophobicContact CD1-CG 4.4Å; Y858-L862 HydrophobicContact CE1-CD1 3.47Å; Y858-L862 VanDerWaalsContact CE1-CD1 3.47Å; Y858-L862 HydrophobicContact CE1-CD2 4.48Å; Y858-L862 HydrophobicContact CE1-CG 4.07Å; Y858-L862 HydrophobicContact CE2-CG 4.37Å; Y858-L862 WeakPolarHBondContact O-CG 3.45Å; Y858-L862 PolarHBondContact O-N 3.43Å; Y858-Q870 HydrophobicContact CE2-CB 4.2Å; Y858-V873 HydrophobicContact CD2-CB 4.42Å; Y858-V873 HydrophobicContact CD2-CG1 4.38Å; Y858-L906 HydrophobicContact CD1-CD2 4.33Å; Y858-L906 HydrophobicContact CD1-CG 4.1Å; Y858-L906 HydrophobicContact CD2-CD2 4.33Å; Y858-L906 HydrophobicContact CG-CD2 4Å; Y858-L906 HydrophobicContact CG-CG 4.16Å; Y858-V907 HydrophobicContact CE1-CG2 3.97Å; Y858-A910 HydrophobicContact CD1-CB 3.78Å; Y858-A910 HydrophobicContact CE1-CB 4.43Å
859	K	88.7	Confident	87.6	Confident	23 Å²	23	41.2 Å²	41.2	10%	0.1	21%	0.206	C	C	.	.	H	α-helix	trans	-63.8	-38	175.1	-172.4	176.8	173.9	-173	0	113	W828 A855 F857 L862 Q863 A910 L913 K914 N915	W828-K859 HydrophobicContact CH2-CB 4.35Å; W828-K859 HydrophobicContact CH2-CD 3.94Å; W828-K859 HydrophobicContact CH2-CG 3.9Å; W828-K859 HydrophobicContact CZ2-CG 4.48Å; A855-K859 WeakPolarHBondContact O-CB 3.31Å; A855-K859 PolarHBondContact O-N 3.49Å; A855-K859 VanDerWaalsContact O-N 3.11Å; F857-K859 VanDerWaalsContact C-N 3.34Å; F857-K859 PolarHBondContact O-N 2.9Å; K859-L862 PolarHBondContact O-N 3.45Å; K859-Q863 PolarHBondContact O-N 3.42Å; K859-A910 HydrophobicContact CB-CB 4.26Å; K859-L913 HydrophobicContact CD-CB 3.69Å; K859-L913 HydrophobicContact CD-CD1 3.97Å; K859-L913 PolarHBondContact NZ-O 2.92Å; K859-K914 PolarHBondContact NZ-O 3.27Å; K859-N915 WeakPolarHBondContact CE-OD1 3.41Å; K859-N915 PolarHBondContact NZ-OD1 3.33Å
860	F	90	Very high	87.6	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.4	-45.9	174.9	165	-100.6	0	0	0	111.4	W828 I833 A836 R837 F840 F856 F857 Y858 Q863 H864	W828-F860 HydrophobicContact CB-CD2 4.41Å; W828-F860 AromaticContact CD1-CD2 3.66Å; W828-F860 HydrophobicContact CD2-CB 4.43Å; W828-F860 HydrophobicContact CD2-CD2 4.1Å; W828-F860 AromaticContact CG-CD2 3.82Å; W828-F860 HydrophobicContact CG-CD2 3.82Å; W828-F860 HydrophobicContact CG-CE2 4.44Å; W828-F860 HydrophobicContact CZ2-CB 4.5Å; W828-F860 AromaticContact NE1-CD2 3.82Å; I833-F860 HydrophobicContact CB-CE2 4.41Å; I833-F860 HydrophobicContact CB-CZ 4.33Å; I833-F860 HydrophobicContact CG2-CE2 4.32Å; I833-F860 WeakPolarHBondContact O-CZ 3.31Å; A836-F860 HydrophobicContact CB-CE2 3.9Å; A836-F860 HydrophobicContact CB-CZ 4.09Å; R837-F860 HydrophobicContact CB-CE1 3.85Å; R837-F860 HydrophobicContact CB-CZ 4.12Å; R837-F860 HydrophobicContact CG-CE1 4.32Å; F840-F860 HydrophobicContact CD2-CB 4.27Å; F840-F860 AromaticContact CD2-CD1 3.72Å; F840-F860 HydrophobicContact CD2-CD1 3.72Å; F840-F860 HydrophobicContact CD2-CD2 4.41Å; F840-F860 HydrophobicContact CD2-CE1 4.16Å; F840-F860 AromaticContact CD2-CG 3.86Å; F840-F860 HydrophobicContact CD2-CG 3.86Å; F840-F860 HydrophobicContact CE2-CB 3.71Å; F840-F860 AromaticContact CE2-CD1 3.9Å; F840-F860 HydrophobicContact CE2-CD1 3.9Å; F840-F860 AromaticContact CE2-CD2 3.84Å; F840-F860 HydrophobicContact CE2-CD2 3.84Å; F840-F860 HydrophobicContact CE2-CE2 4.47Å; F840-F860 AromaticContact CE2-CG 3.52Å; F840-F860 HydrophobicContact CE2-CG 3.52Å; F840-F860 HydrophobicContact CZ-CB 4.15Å; F840-F860 HydrophobicContact CZ-CG 4.42Å; F856-F860 VanDerWaalsContact O-CB 3.3Å; F856-F860 WeakPolarHBondContact O-CB 3.41Å; F856-F860 PolarHBondContact O-N 2.83Å; F857-F860 HydrophobicContact CD2-CD1 4.2Å; F857-F860 HydrophobicContact CE2-CD1 4.39Å; F857-F860 WeakPolarHBondContact O-CB 3.22Å; F857-F860 PolarHBondContact O-N 3.14Å; Y858-F860 VanDerWaalsContact C-N 3.34Å; Y858-F860 PolarHBondContact O-N 2.85Å; F860-Q863 PolarHBondContact O-N 2.83Å; F860-Q863 VanDerWaalsContact O-N 3.12Å; F860-H864 AromaticContact CD2-CD2 3.86Å; F860-H864 HydrophobicContact CE2-CB 4.27Å; F860-H864 AromaticContact CE2-CD2 3.81Å; F860-H864 HydrophobicContact CZ-CB 4.5Å; F860-H864 PolarHBondContact O-N 3.43Å
861	E	88.6	Confident	87.6	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.009	23%	0.228	C	C	.	.	H	α-helix	trans	-72.7	-27.6	178.9	-63.3	-60.3	175.6	0	0	113.1	R837 F857 Y858 Q863 G865 Q869 Q870 V873	R837-E861 IonicContact CZ-OE1 3.54Å; R837-E861 IonicContact CZ-OE2 2.76Å; R837-E861 IonicContact NE-OE1 3.58Å; R837-E861 PolarHBondContact NE-OE1 3.24Å; R837-E861 IonicContact NE-OE2 3.05Å; R837-E861 PolarHBondContact NE-OE2 3.43Å; R837-E861 IonicContact NH2-OE1 3.27Å; R837-E861 IonicContact NH2-OE2 3.34Å; R837-E861 PolarHBondContact NH2-OE2 3.38Å; F857-E861 HydrophobicContact CD2-CG 4.14Å; F857-E861 HydrophobicContact CE2-CG 3.8Å; F857-E861 WeakPolarHBondContact CE2-OE1 3.26Å; F857-E861 HydrophobicContact CZ-CG 4.36Å; F857-E861 PolarHBondContact O-N 3.4Å; Y858-E861 PolarHBondContact O-N 3.48Å; E861-Q863 PolarHBondContact O-N 2.94Å; E861-G865 VanDerWaalsContact O-CA 3.22Å; E861-G865 WeakPolarHBondContact O-CA 3.23Å; E861-G865 PolarHBondContact O-N 3.03Å; E861-G865 WeakPolarHBondContact OE2-CA 3.43Å; E861-Q869 PolarHBondContact OE2-OE1 3.23Å; E861-Q870 HydrophobicContact CB-CG 4.21Å; E861-Q870 PolarHBondContact O-NE2 3.14Å; E861-V873 HydrophobicContact CG-CG2 3.91Å
862	L	87.7	Confident	87.6	Confident	83 Å²	83	50 Å²	50	44%	0.435	25%	0.245	S	C	.	.	H	α-helix	trans	-63.1	-31.1	167.8	-77.2	173.4	0	0	0	112.4	Y858 K859 Q870	Y858-L862 HydrophobicContact CD1-CD1 3.83Å; Y858-L862 HydrophobicContact CD1-CG 4.4Å; Y858-L862 HydrophobicContact CE1-CD1 3.47Å; Y858-L862 VanDerWaalsContact CE1-CD1 3.47Å; Y858-L862 HydrophobicContact CE1-CD2 4.48Å; Y858-L862 HydrophobicContact CE1-CG 4.07Å; Y858-L862 HydrophobicContact CE2-CG 4.37Å; Y858-L862 WeakPolarHBondContact O-CG 3.45Å; Y858-L862 PolarHBondContact O-N 3.43Å; K859-L862 PolarHBondContact O-N 3.45Å; L862-Q870 HydrophobicContact CD2-CG 4.41Å
863	Q	87.7	Confident	87.7	Confident	90 Å²	90	49.5 Å²	49.5	42%	0.421	24%	0.242	S	C	.	.	H	α-helix	trans	-88.7	-31.8	-178.6	-168.9	177.4	-20.1	0	0	113.3	W828 K859 F860 E861	W828-Q863 VanDerWaalsContact CZ2-OE1 3.22Å; K859-Q863 PolarHBondContact O-N 3.42Å; F860-Q863 PolarHBondContact O-N 2.83Å; F860-Q863 VanDerWaalsContact O-N 3.12Å; E861-Q863 PolarHBondContact O-N 2.94Å
864	H	86.3	Confident	87.6	Confident	67 Å²	67	53.5 Å²	53.5	31%	0.31	26%	0.26	S	S	.	.	H	α-helix	trans	-135.8	-1.1	-167.5	-61.4	-57.7	0	0	0	115.3	W828 I833 R837 F860	W828-H864 AromaticContact CD1-CD2 3.82Å; W828-H864 AromaticContact CD1-NE2 3.69Å; W828-H864 AromaticContact NE1-CD2 3.42Å; W828-H864 PolarHBondContact NE1-CD2 3.34Å; W828-H864 AromaticContact NE1-NE2 3.26Å; W828-H864 PolarHBondContact NE1-NE2 2.95Å; I833-H864 HydrophobicContact CG2-CB 4.14Å; R837-H864 PolarHBondContact NH2-O 3.04Å; F860-H864 AromaticContact CD2-CD2 3.86Å; F860-H864 HydrophobicContact CE2-CB 4.27Å; F860-H864 AromaticContact CE2-CD2 3.81Å; F860-H864 HydrophobicContact CZ-CB 4.5Å; F860-H864 PolarHBondContact O-N 3.43Å
865	G	85.5	Confident	87.4	Confident	21 Å²	21	58.8 Å²	58.8	22%	0.216	28%	0.283	C	S	.	.	S	Bend	trans	-107.4	166.7	-174.9	0	0	0	0	0	114.2	E861 Q869	E861-G865 VanDerWaalsContact O-CA 3.22Å; E861-G865 WeakPolarHBondContact O-CA 3.23Å; E861-G865 PolarHBondContact O-N 3.03Å; E861-G865 WeakPolarHBondContact OE2-CA 3.43Å; G865-Q869 VanDerWaalsContact CA-OE1 3.31Å
866	T	90.7	Very high	87.2	Confident	80 Å²	80	63.1 Å²	63.1	49%	0.491	30%	0.3	S	S	.	.			trans	-79.3	161.4	169.4	55.6	0	0	0	0	111.1	E868 Q869 Q870	T866-E868 PolarHBondContact O-N 2.83Å; T866-Q869 WeakPolarHBondContact O-CB 3.49Å; T866-Q869 PolarHBondContact O-N 3.27Å; T866-Q869 VanDerWaalsContact O-N 3.1Å; T866-Q869 WeakPolarHBondContact OG1-CG 3.14Å; T866-Q870 WeakPolarHBondContact O-CG 3.47Å; T866-Q870 PolarHBondContact O-N 2.8Å
867	E	88.1	Confident	86.9	Confident	161 Å²	161	61.9 Å²	61.9	75%	0.752	29%	0.294	S	S	*	.	H	α-helix	trans	-58.4	-35.7	178.5	-64.3	-172.6	163.5	0	0	112.6	Q869 Q870 E871	E867-Q869 VanDerWaalsContact C-N 3.34Å; E867-Q869 PolarHBondContact O-N 3.08Å; E867-Q870 WeakPolarHBondContact O-CB 3.44Å; E867-Q870 PolarHBondContact O-N 3.45Å; E867-E871 PolarHBondContact O-N 2.97Å
868	E	89.6	Confident	86.6	Confident	158 Å²	158	66 Å²	66	74%	0.738	31%	0.313	S	S	*	.	H	α-helix	trans	-61.1	-40.8	175.6	-172.9	-179.6	-174.5	0	0	112.5	T866 Q870 E871 E872	T866-E868 PolarHBondContact O-N 2.83Å; E868-Q870 VanDerWaalsContact C-N 3.33Å; E868-Q870 PolarHBondContact O-N 3.02Å; E868-E871 PolarHBondContact O-N 3.44Å; E868-E872 PolarHBondContact O-N 3.44Å
869	Q	85.6	Confident	86.1	Confident	55 Å²	55	70.5 Å²	70.5	26%	0.257	34%	0.339	S	S	.	.	H	α-helix	trans	-67.2	-37.1	177.6	-70.5	170.8	-12.5	0	0	111.1	E861 G865 T866 E867 E872 V873	E861-Q869 PolarHBondContact OE2-OE1 3.23Å; G865-Q869 VanDerWaalsContact CA-OE1 3.31Å; T866-Q869 WeakPolarHBondContact O-CB 3.49Å; T866-Q869 PolarHBondContact O-N 3.27Å; T866-Q869 VanDerWaalsContact O-N 3.1Å; T866-Q869 WeakPolarHBondContact OG1-CG 3.14Å; E867-Q869 VanDerWaalsContact C-N 3.34Å; E867-Q869 PolarHBondContact O-N 3.08Å; Q869-E872 WeakPolarHBondContact O-CB 3.5Å; Q869-E872 PolarHBondContact O-N 2.95Å; Q869-V873 VanDerWaalsContact O-CG2 3.29Å; Q869-V873 WeakPolarHBondContact O-CG2 3.46Å; Q869-V873 PolarHBondContact O-N 3.03Å
870	Q	86	Confident	85.5	Confident	43 Å²	43	70.8 Å²	70.8	20%	0.201	35%	0.346	C	S	.	.	H	α-helix	trans	-63.9	-42.8	176.3	-62	169.5	16.6	0	0	111.3	Y858 E861 L862 T866 E867 E868 E872 V873 K874	Y858-Q870 HydrophobicContact CE2-CB 4.2Å; E861-Q870 HydrophobicContact CB-CG 4.21Å; E861-Q870 PolarHBondContact O-NE2 3.14Å; L862-Q870 HydrophobicContact CD2-CG 4.41Å; T866-Q870 WeakPolarHBondContact O-CG 3.47Å; T866-Q870 PolarHBondContact O-N 2.8Å; E867-Q870 WeakPolarHBondContact O-CB 3.44Å; E867-Q870 PolarHBondContact O-N 3.45Å; E868-Q870 VanDerWaalsContact C-N 3.33Å; E868-Q870 PolarHBondContact O-N 3.02Å; Q870-E872 VanDerWaalsContact C-N 3.32Å; Q870-V873 PolarHBondContact O-N 3.25Å; Q870-K874 PolarHBondContact O-N 2.8Å; Q870-K874 VanDerWaalsContact O-N 3.11Å
871	E	85.8	Confident	84.9	Confident	111 Å²	111	73 Å²	73	52%	0.519	36%	0.357	S	S	.	.	H	α-helix	trans	-62.6	-40.2	173.2	-73	-158.5	175.2	0	0	112.2	E867 E868 K874 K875	E867-E871 PolarHBondContact O-N 2.97Å; E868-E871 PolarHBondContact O-N 3.44Å; E871-K874 PolarHBondContact O-N 2.83Å; E871-K875 WeakPolarHBondContact O-CB 3.45Å; E871-K875 WeakPolarHBondContact O-CG 3.42Å; E871-K875 PolarHBondContact O-N 3.46Å; E871-K875 IonicContact OE2-NZ 3.5Å; E871-K875 PolarHBondContact OE2-NZ 3.47Å; E871-K875 VanDerWaalsContact OE2-NZ 3.12Å
872	E	83.4	Confident	84.5	Confident	79 Å²	79	73.2 Å²	73.2	37%	0.369	36%	0.358	S	S	.	.	H	α-helix	trans	-61.8	-45.6	178.5	-176.3	175.4	-149	0	0	111.7	E868 Q869 Q870 K874 K875 R876	E868-E872 PolarHBondContact O-N 3.44Å; Q869-E872 WeakPolarHBondContact O-CB 3.5Å; Q869-E872 PolarHBondContact O-N 2.95Å; Q870-E872 VanDerWaalsContact C-N 3.32Å; E872-K874 VanDerWaalsContact C-N 3.31Å; E872-K874 PolarHBondContact O-N 3.42Å; E872-K875 PolarHBondContact O-N 2.99Å; E872-R876 VanDerWaalsContact CD-NH2 3.33Å; E872-R876 HydrophobicContact CG-CG 4.46Å; E872-R876 WeakPolarHBondContact O-CB 3.18Å; E872-R876 VanDerWaalsContact O-CG 3.27Å; E872-R876 WeakPolarHBondContact O-CG 3.49Å; E872-R876 PolarHBondContact O-N 2.92Å; E872-R876 IonicContact OE1-CZ 3.71Å; E872-R876 VanDerWaalsContact OE1-CZ 3.29Å; E872-R876 IonicContact OE1-NE 2.73Å; E872-R876 PolarHBondContact OE1-NE 2.89Å; E872-R876 IonicContact OE1-NH2 2.85Å; E872-R876 PolarHBondContact OE1-NH2 3.43Å; E872-R876 IonicContact OE2-NH2 3.04Å
873	V	85.8	Confident	83.9	Confident	1 Å²	1	76.9 Å²	76.9	1%	0.006	37%	0.366	C	S	.	.	H	α-helix	trans	-60.5	-43.4	175.8	-178.7	0	0	0	0	110.9	W854 F857 Y858 E861 Q869 Q870 R876 C877	W854-V873 HydrophobicContact CE3-CG1 3.89Å; W854-V873 HydrophobicContact CZ3-CG1 4.26Å; F857-V873 HydrophobicContact CB-CG1 4.46Å; F857-V873 HydrophobicContact CD1-CB 4.15Å; F857-V873 HydrophobicContact CD1-CG1 3.5Å; F857-V873 VanDerWaalsContact CD1-CG1 3.5Å; F857-V873 HydrophobicContact CD1-CG2 3.57Å; F857-V873 HydrophobicContact CD2-CG2 4.41Å; F857-V873 HydrophobicContact CE1-CB 4.1Å; F857-V873 HydrophobicContact CE1-CG1 3.96Å; F857-V873 HydrophobicContact CE1-CG2 3.21Å; F857-V873 HydrophobicContact CE2-CG2 4.13Å; F857-V873 HydrophobicContact CG-CG1 4.12Å; F857-V873 HydrophobicContact CG-CG2 4.15Å; F857-V873 HydrophobicContact CZ-CG2 3.51Å; Y858-V873 HydrophobicContact CD2-CB 4.42Å; Y858-V873 HydrophobicContact CD2-CG1 4.38Å; E861-V873 HydrophobicContact CG-CG2 3.91Å; Q869-V873 VanDerWaalsContact O-CG2 3.29Å; Q869-V873 WeakPolarHBondContact O-CG2 3.46Å; Q869-V873 PolarHBondContact O-N 3.03Å; Q870-V873 PolarHBondContact O-N 3.25Å; V873-R876 PolarHBondContact O-N 3.44Å; V873-C877 VanDerWaalsContact O-CB 3.3Å; V873-C877 WeakPolarHBondContact O-CB 3.23Å; V873-C877 PolarHBondContact O-N 2.87Å
874	K	85.7	Confident	83.5	Confident	84 Å²	84	78 Å²	78	37%	0.365	37%	0.371	S	S	.	.	H	α-helix	trans	-63.9	-47.6	179.5	-170.9	179.6	177.5	-175.4	0	111.7	Q870 E871 E872 R876 C877 E878	Q870-K874 PolarHBondContact O-N 2.8Å; Q870-K874 VanDerWaalsContact O-N 3.11Å; E871-K874 PolarHBondContact O-N 2.83Å; E872-K874 VanDerWaalsContact C-N 3.31Å; E872-K874 PolarHBondContact O-N 3.42Å; K874-R876 VanDerWaalsContact C-N 3.35Å; K874-R876 PolarHBondContact O-N 3.37Å; K874-C877 PolarHBondContact O-N 3.33Å; K874-E878 VanDerWaalsContact CE-OE1 3.29Å; K874-E878 WeakPolarHBondContact CE-OE1 3.33Å; K874-E878 WeakPolarHBondContact O-CG 3.49Å; K874-E878 PolarHBondContact O-N 2.99Å
875	K	84	Confident	83.2	Confident	117 Å²	117	75.4 Å²	75.4	51%	0.509	36%	0.363	S	S	.	.	H	α-helix	trans	-59.9	-43.8	177.1	-74.8	173.8	-175.4	158.9	0	111.5	E871 E872 E878 N879	E871-K875 WeakPolarHBondContact O-CB 3.45Å; E871-K875 WeakPolarHBondContact O-CG 3.42Å; E871-K875 PolarHBondContact O-N 3.46Å; E871-K875 IonicContact OE2-NZ 3.5Å; E871-K875 PolarHBondContact OE2-NZ 3.47Å; E871-K875 VanDerWaalsContact OE2-NZ 3.12Å; E872-K875 PolarHBondContact O-N 2.99Å; K875-E878 PolarHBondContact O-N 3.4Å; K875-N879 WeakPolarHBondContact O-CB 3.42Å; K875-N879 PolarHBondContact O-N 2.86Å; K875-N879 PolarHBondContact O-ND2 3.35Å
876	R	83.8	Confident	82.9	Confident	92 Å²	92	77.6 Å²	77.6	35%	0.347	37%	0.367	S	S	.	.	H	α-helix	trans	-66.9	-38.1	177.9	-68.7	178.2	-175.2	-166.9	4.9	112.4	H841 W854 E872 V873 K874 N879 A880	H841-R876 PolarHBondContact ND1-NH1 3.39Å; W854-R876 HydrophobicContact CH2-CB 3.47Å; W854-R876 VanDerWaalsContact CH2-CB 3.47Å; W854-R876 HydrophobicContact CZ2-CB 4.47Å; W854-R876 HydrophobicContact CZ3-CB 3.62Å; E872-R876 VanDerWaalsContact CD-NH2 3.33Å; E872-R876 HydrophobicContact CG-CG 4.46Å; E872-R876 WeakPolarHBondContact O-CB 3.18Å; E872-R876 VanDerWaalsContact O-CG 3.27Å; E872-R876 WeakPolarHBondContact O-CG 3.49Å; E872-R876 PolarHBondContact O-N 2.92Å; E872-R876 IonicContact OE1-CZ 3.71Å; E872-R876 VanDerWaalsContact OE1-CZ 3.29Å; E872-R876 IonicContact OE1-NE 2.73Å; E872-R876 PolarHBondContact OE1-NE 2.89Å; E872-R876 IonicContact OE1-NH2 2.85Å; E872-R876 PolarHBondContact OE1-NH2 3.43Å; E872-R876 IonicContact OE2-NH2 3.04Å; V873-R876 PolarHBondContact O-N 3.44Å; K874-R876 VanDerWaalsContact C-N 3.35Å; K874-R876 PolarHBondContact O-N 3.37Å; R876-N879 PolarHBondContact O-N 2.8Å; R876-A880 WeakPolarHBondContact O-CB 3.25Å; R876-A880 PolarHBondContact O-N 2.75Å
877	C	83.6	Confident	82.4	Confident	1 Å²	1	77 Å²	77	1%	0.007	36%	0.361	C	S	.	.	H	α-helix	trans	-64.8	-43.7	174.8	-176.9	0	0	0	0	111.9	W854 V873 K874 N879 A880 E881 P882 L906	W854-C877 HydrophobicContact CB-CB 4.39Å; W854-C877 HydrophobicContact CD2-CB 3.93Å; W854-C877 HydrophobicContact CE3-CB 3.94Å; W854-C877 HydrophobicContact CG-CB 4.13Å; V873-C877 VanDerWaalsContact O-CB 3.3Å; V873-C877 WeakPolarHBondContact O-CB 3.23Å; V873-C877 PolarHBondContact O-N 2.87Å; K874-C877 PolarHBondContact O-N 3.33Å; C877-N879 VanDerWaalsContact C-N 3.31Å; C877-N879 PolarHBondContact O-N 3.19Å; C877-A880 PolarHBondContact O-N 2.86Å; C877-E881 PolarHBondContact O-N 3.47Å; C877-P882 WeakPolarHBondContact O-CD 3.45Å; C877-L906 HydrophobicContact CB-CD2 4.05Å
878	E	83	Confident	82.2	Confident	87 Å²	87	69.8 Å²	69.8	41%	0.407	33%	0.327	S	S	.	.	H	α-helix	trans	-62.4	-38.2	175.7	-73.7	175.3	-176.3	0	0	112	K874 K875	K874-E878 VanDerWaalsContact CE-OE1 3.29Å; K874-E878 WeakPolarHBondContact CE-OE1 3.33Å; K874-E878 WeakPolarHBondContact O-CG 3.49Å; K874-E878 PolarHBondContact O-N 2.99Å; K875-E878 PolarHBondContact O-N 3.4Å
879	N	79	Confident	81.9	Confident	125 Å²	125	63.6 Å²	63.6	67%	0.668	30%	0.301	S	S	*	.	H	α-helix	trans	-67.5	-36.8	176.1	-70.4	-16.4	0	0	0	112.9	K875 R876 C877	K875-N879 WeakPolarHBondContact O-CB 3.42Å; K875-N879 PolarHBondContact O-N 2.86Å; K875-N879 PolarHBondContact O-ND2 3.35Å; R876-N879 PolarHBondContact O-N 2.8Å; C877-N879 VanDerWaalsContact C-N 3.31Å; C877-N879 PolarHBondContact O-N 3.19Å
880	A	74.9	Confident	81.7	Confident	30 Å²	30	64.6 Å²	64.6	25%	0.248	31%	0.308	C	S	.	.	H	α-helix	trans	-80.9	-25.8	-176.6	0	0	0	0	0	114.1	S848 W854 R876 C877	S848-A880 WeakPolarHBondContact O-CB 3.25Å; W854-A880 HydrophobicContact CZ2-CB 4.21Å; R876-A880 WeakPolarHBondContact O-CB 3.25Å; R876-A880 PolarHBondContact O-N 2.75Å; C877-A880 PolarHBondContact O-N 2.86Å
881	E	77.4	Confident	81.5	Confident	47 Å²	47	62.7 Å²	62.7	22%	0.22	30%	0.299	C	S	.	.			trans	48.2	62	-176.5	-63.9	177.5	-145.5	0	0	114.1	K561 C877 I902	K561-E881 IonicContact NZ-OE1 3.57Å; K561-E881 PolarHBondContact NZ-OE1 2.69Å; C877-E881 PolarHBondContact O-N 3.47Å; E881-I902 HydrophobicContact CB-CD1 4.1Å; E881-I902 HydrophobicContact CG-CD1 3.9Å
882	P	81.3	Confident	81.1	Confident	6 Å²	6	58.4 Å²	58.4	4%	0.039	28%	0.281	C	S	.	.			trans	-63.2	139.7	-172.6	25.3	-34	0	0	0	113.6	D849 C877 W888	D849-P882 WeakPolarHBondContact O-CA 3.42Å; D849-P882 VanDerWaalsContact O-CB 3.22Å; D849-P882 WeakPolarHBondContact O-CB 3.27Å; D849-P882 WeakPolarHBondContact OD1-CA 3.31Å; C877-P882 WeakPolarHBondContact O-CD 3.45Å; P882-W888 HydrophobicContact CG-CH2 4.14Å; P882-W888 HydrophobicContact CG-CZ2 3.86Å; P882-W888 PolarHBondContact O-NE1 2.82Å
883	R	74.7	Confident	80.8	Confident	160 Å²	160	59.2 Å²	59.2	60%	0.604	28%	0.283	S	S	*	.			trans	-121.2	-24.3	-177.5	-60.6	-175.1	-178.1	174.3	6.8	114	D849	D849-R883 PolarHBondContact O-N 3.3Å; D849-R883 VanDerWaalsContact O-N 3.09Å; D849-R883 WeakPolarHBondContact OD1-CB 3.17Å; D849-R883 PolarHBondContact OD1-N 3.48Å
884	H	79.4	Confident	80.4	Confident	112 Å²	112	61.9 Å²	61.9	52%	0.519	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-100.6	164.7	-178.3	-61.1	100.2	0	0	0	110.6	D849 G851	D849-H884 PolarHBondContact O-N 3.5Å; D849-H884 VanDerWaalsContact O-N 3.13Å; D849-H884 IonicContact OD1-ND1 3.54Å; D849-H884 IonicContact OD2-CE1 2.84Å; D849-H884 PolarHBondContact OD2-CE1 3.39Å; D849-H884 VanDerWaalsContact OD2-CE1 3.23Å; D849-H884 IonicContact OD2-CG 2.7Å; D849-H884 IonicContact OD2-ND1 2.63Å; D849-H884 PolarHBondContact OD2-ND1 3.09Å; G851-H884 WeakPolarHBondContact CA-O 3.45Å; G851-H884 PolarHBondContact N-O 3.13Å
885	G	78.9	Confident	79.8	Confident	13 Å²	13	59 Å²	59	13%	0.134	29%	0.286	C	S	.	.			trans	113.5	135.2	-171.7	0	0	0	0	0	111.2	D852 C889	D852-G885 VanDerWaalsContact CG-CA 3.47Å; D852-G885 WeakPolarHBondContact OD1-CA 3.35Å; D852-G885 VanDerWaalsContact OD2-CA 3.29Å; D852-G885 WeakPolarHBondContact OD2-CA 3.48Å; G885-C889 WeakPolarHBondContact O-CB 3.33Å; G885-C889 PolarHBondContact O-N 2.86Å; G885-C889 PolarHBondContact O-SG 3.14Å
886	E	79.2	Confident	79.3	Confident	67 Å²	67	61.8 Å²	61.8	31%	0.313	30%	0.301	S	S	.	.	H	α-helix	trans	-77.7	-41.8	-171.4	-167.6	-177.3	155.6	0	0	111.5	R727 R761 D852 D890	R727-E886 IonicContact CZ-OE1 3.9Å; R727-E886 IonicContact NH2-OE1 2.83Å; R727-E886 PolarHBondContact NH2-OE1 3.11Å; R761-E886 IonicContact CZ-OE2 3.07Å; R761-E886 IonicContact NH1-OE1 3.83Å; R761-E886 PolarHBondContact NH1-OE1 3.02Å; R761-E886 IonicContact NH1-OE2 2.7Å; R761-E886 PolarHBondContact NH1-OE2 3.33Å; R761-E886 IonicContact NH2-OE2 3.7Å; D852-E886 PolarHBondContact OD1-N 3.19Å; D852-E886 PolarHBondContact OD2-N 2.69Å; E886-D890 WeakPolarHBondContact O-CB 2.78Å; E886-D890 PolarHBondContact O-N 3.38Å
887	L	80.8	Confident	79	Confident	69 Å²	69	58.2 Å²	58.2	36%	0.361	29%	0.289	S	S	.	.	H	α-helix	trans	-72.8	-41.1	177.3	-63.2	161.2	0	0	0	110.1	D852 F856 C889 D890 V891 L913	D852-L887 WeakPolarHBondContact OD1-CA 3.4Å; D852-L887 WeakPolarHBondContact OD1-CB 3.37Å; D852-L887 PolarHBondContact OD1-N 3.32Å; F856-L887 HydrophobicContact CE2-CD1 3.85Å; F856-L887 HydrophobicContact CZ-CD1 3.75Å; L887-C889 VanDerWaalsContact C-N 3.35Å; L887-D890 PolarHBondContact O-N 2.97Å; L887-V891 PolarHBondContact O-N 3.44Å; L887-L913 HydrophobicContact CD1-CD2 3.75Å
888	W	84.9	Confident	78.3	Confident	8 Å²	8	62.4 Å²	62.4	3%	0.03	31%	0.305	C	S	.	.	H	α-helix	trans	-59.1	-46.8	172.9	-173	-95.2	0	0	0	111.7	D852 P882 S892 I902 I905 L906 V909	D852-W888 PolarHBondContact OD1-N 2.58Å; P882-W888 HydrophobicContact CG-CH2 4.14Å; P882-W888 HydrophobicContact CG-CZ2 3.86Å; P882-W888 PolarHBondContact O-NE1 2.82Å; W888-S892 PolarHBondContact NE1-OG 2.96Å; W888-S892 WeakPolarHBondContact O-CB 3.29Å; W888-S892 PolarHBondContact O-N 3.12Å; W888-S892 PolarHBondContact O-OG 3.21Å; W888-I902 HydrophobicContact CH2-CG2 3.86Å; W888-I902 HydrophobicContact CZ2-CG2 3.95Å; W888-I905 HydrophobicContact CD2-CG2 4.29Å; W888-I905 HydrophobicContact CE3-CG2 4.3Å; W888-I905 HydrophobicContact CH2-CB 4.14Å; W888-I905 HydrophobicContact CH2-CG2 3.79Å; W888-I905 HydrophobicContact CZ2-CB 4.31Å; W888-I905 HydrophobicContact CZ2-CG2 3.78Å; W888-I905 HydrophobicContact CZ3-CG2 4.07Å; W888-L906 HydrophobicContact CH2-CB 4.23Å; W888-L906 HydrophobicContact CZ3-CB 4.05Å; W888-L906 HydrophobicContact CZ3-CD1 3.84Å; W888-V909 HydrophobicContact CE3-CG1 4.2Å; W888-V909 HydrophobicContact CE3-CG2 3.93Å; W888-V909 HydrophobicContact CZ3-CG2 3.98Å
889	C	83.6	Confident	77.7	Confident	28 Å²	28	61.5 Å²	61.5	19%	0.189	30%	0.3	C	S	.	.	H	α-helix	trans	-66.6	-34.2	176.8	-81.7	0	0	0	0	113	G885 L887 K893	G885-C889 WeakPolarHBondContact O-CB 3.33Å; G885-C889 PolarHBondContact O-N 2.86Å; G885-C889 PolarHBondContact O-SG 3.14Å; L887-C889 VanDerWaalsContact C-N 3.35Å; C889-K893 HydrophobicContact CB-CD 4.3Å; C889-K893 WeakPolarHBondContact O-CB 3.41Å; C889-K893 VanDerWaalsContact O-CD 3.28Å; C889-K893 WeakPolarHBondContact O-CD 3.44Å; C889-K893 WeakPolarHBondContact O-CG 3.27Å; C889-K893 PolarHBondContact O-N 2.87Å
890	D	80.6	Confident	77.6	Confident	77 Å²	77	59.5 Å²	59.5	41%	0.412	29%	0.286	S	S	.	.	H	α-helix	trans	-60.8	-53.6	177.9	-163.2	46	0	0	0	109.9	E886 L887 S892 K893 D894	E886-D890 WeakPolarHBondContact O-CB 2.78Å; E886-D890 PolarHBondContact O-N 3.38Å; L887-D890 PolarHBondContact O-N 2.97Å; D890-S892 PolarHBondContact O-N 3.33Å; D890-K893 PolarHBondContact O-N 2.94Å; D890-D894 PolarHBondContact O-N 3.5Å; D890-D894 VanDerWaalsContact O-N 3.08Å
891	V	80.8	Confident	77.8	Confident	3 Å²	3	63.6 Å²	63.6	2%	0.018	30%	0.298	C	S	.	.	H	α-helix	trans	-67.9	-38.4	178.1	-175.4	0	0	0	0	112.6	L887 K893 D894 N897 I905 L908 V909 K912	L887-V891 PolarHBondContact O-N 3.44Å; V891-K893 VanDerWaalsContact C-N 3.29Å; V891-K893 PolarHBondContact O-N 3.31Å; V891-D894 WeakPolarHBondContact O-CB 3.14Å; V891-D894 PolarHBondContact O-N 2.93Å; V891-N897 HydrophobicContact CG1-CB 4.46Å; V891-I905 HydrophobicContact CG1-CG2 4.39Å; V891-L908 HydrophobicContact CG1-CB 4.01Å; V891-V909 HydrophobicContact CB-CG1 3.61Å; V891-V909 HydrophobicContact CG1-CG1 4.11Å; V891-V909 HydrophobicContact CG2-CB 4.44Å; V891-V909 HydrophobicContact CG2-CG1 3.47Å; V891-V909 VanDerWaalsContact CG2-CG1 3.47Å; V891-K912 HydrophobicContact CG2-CD 3.65Å
892	S	78.1	Confident	77.8	Confident	20 Å²	20	63.8 Å²	63.8	14%	0.14	30%	0.3	C	S	.	.	H	α-helix	trans	-70	-28.2	178.7	-61	0	0	0	0	112.3	W888 D890	W888-S892 PolarHBondContact NE1-OG 2.96Å; W888-S892 WeakPolarHBondContact O-CB 3.29Å; W888-S892 PolarHBondContact O-N 3.12Å; W888-S892 PolarHBondContact O-OG 3.21Å; D890-S892 PolarHBondContact O-N 3.33Å
893	K	76.9	Confident	77.6	Confident	96 Å²	96	63.8 Å²	63.8	42%	0.417	30%	0.301	S	S	.	.	H	α-helix	trans	-85.9	-18.3	178.1	-70.2	167.6	-170.3	169.7	0	112.3	C889 D890 V891 I895	C889-K893 HydrophobicContact CB-CD 4.3Å; C889-K893 WeakPolarHBondContact O-CB 3.41Å; C889-K893 VanDerWaalsContact O-CD 3.28Å; C889-K893 WeakPolarHBondContact O-CD 3.44Å; C889-K893 WeakPolarHBondContact O-CG 3.27Å; C889-K893 PolarHBondContact O-N 2.87Å; D890-K893 PolarHBondContact O-N 2.94Å; V891-K893 VanDerWaalsContact C-N 3.29Å; V891-K893 PolarHBondContact O-N 3.31Å; K893-I895 PolarHBondContact O-N 3.25Å
894	D	78.8	Confident	77.9	Confident	57 Å²	57	61.1 Å²	61.1	31%	0.305	30%	0.295	S	S	.	.	S	Bend	trans	-56.2	121.9	167.6	-69.9	-25.9	0	0	0	109.4	D890 V891 E896 N897 W898 K912	D890-D894 PolarHBondContact O-N 3.5Å; D890-D894 VanDerWaalsContact O-N 3.08Å; V891-D894 WeakPolarHBondContact O-CB 3.14Å; V891-D894 PolarHBondContact O-N 2.93Å; D894-E896 VanDerWaalsContact C-N 3.31Å; D894-E896 PolarHBondContact O-N 3.41Å; D894-N897 HydrophobicContact CB-CB 4.39Å; D894-N897 PolarHBondContact O-N 2.78Å; D894-W898 PolarHBondContact O-N 3.07Å; D894-W898 VanDerWaalsContact O-N 3.08Å; D894-K912 IonicContact OD2-NZ 2.73Å; D894-K912 PolarHBondContact OD2-NZ 3.07Å
895	I	72.4	Confident	78.1	Confident	25 Å²	25	56.3 Å²	56.3	13%	0.128	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-65.6	-34.9	-169.1	-63.7	-63.6	0	0	0	112.4	W662 V663 K893 N897 W898	W662-I895 HydrophobicContact CD2-CD1 3.72Å; W662-I895 HydrophobicContact CD2-CG1 3.75Å; W662-I895 HydrophobicContact CE3-CD1 3.3Å; W662-I895 HydrophobicContact CE3-CG1 3.81Å; W662-I895 HydrophobicContact CG-CG1 4.49Å; W662-I895 HydrophobicContact CH2-CD1 3.78Å; W662-I895 HydrophobicContact CH2-CG1 3.66Å; W662-I895 HydrophobicContact CZ2-CD1 4.2Å; W662-I895 HydrophobicContact CZ2-CG1 3.65Å; W662-I895 HydrophobicContact CZ3-CD1 3.34Å; W662-I895 HydrophobicContact CZ3-CG1 3.78Å; V663-I895 HydrophobicContact CB-CG2 4.29Å; V663-I895 HydrophobicContact CG2-CG2 3.76Å; K893-I895 PolarHBondContact O-N 3.25Å; I895-N897 PolarHBondContact O-N 3.46Å; I895-W898 WeakPolarHBondContact O-CB 3.32Å; I895-W898 PolarHBondContact O-N 3.13Å
896	E	74.1	Confident	78.3	Confident	174 Å²	174	55.7 Å²	55.7	81%	0.813	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-64.5	-24.9	175.5	-61.2	-176.8	170.7	0	0	113.3	D894	D894-E896 VanDerWaalsContact C-N 3.31Å; D894-E896 PolarHBondContact O-N 3.41Å
897	N	76.2	Confident	78.5	Confident	17 Å²	17	55.6 Å²	55.6	9%	0.091	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-104.3	-7.4	-177.2	-62	-41	0	0	0	112.8	V891 D894 I895 Q899 K900 L908	V891-N897 HydrophobicContact CG1-CB 4.46Å; D894-N897 HydrophobicContact CB-CB 4.39Å; D894-N897 PolarHBondContact O-N 2.78Å; I895-N897 PolarHBondContact O-N 3.46Å; N897-Q899 VanDerWaalsContact C-N 3.28Å; N897-Q899 PolarHBondContact O-N 2.85Å; N897-K900 HydrophobicContact CB-CD 4.47Å; N897-K900 WeakPolarHBondContact O-CB 3.45Å; N897-K900 PolarHBondContact O-N 3.39Å; N897-K900 VanDerWaalsContact O-N 3.16Å; N897-K900 PolarHBondContact OD1-NZ 2.98Å; N897-L908 HydrophobicContact CB-CD1 4.42Å
898	W	69.6	Low	78.7	Confident	90 Å²	90	54.9 Å²	54.9	34%	0.341	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-33.8	-174.3	172	-93.9	0	0	0	114	D894 I895	D894-W898 PolarHBondContact O-N 3.07Å; D894-W898 VanDerWaalsContact O-N 3.08Å; I895-W898 WeakPolarHBondContact O-CB 3.32Å; I895-W898 PolarHBondContact O-N 3.13Å
899	Q	69.3	Low	78.5	Confident	68 Å²	68	54.7 Å²	54.7	32%	0.318	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-8.1	-177.7	-64	-178	-39.3	0	0	113.8	S629 Y634 V663 N897	S629-Q899 PolarHBondContact O-NE2 3.39Å; Y634-Q899 PolarHBondContact OH-NE2 3.03Å; Y634-Q899 PolarHBondContact OH-OE1 3.3Å; V663-Q899 HydrophobicContact CG1-CG 4.4Å; N897-Q899 VanDerWaalsContact C-N 3.28Å; N897-Q899 PolarHBondContact O-N 2.85Å
900	K	77.2	Confident	78.3	Confident	82 Å²	82	53.8 Å²	53.8	36%	0.357	26%	0.261	S	S	.	.	S	Bend	trans	-72.2	153.9	-177.2	-67.1	-176.9	-176.7	166.8	0	111.1	N897 E904 I905 L908	N897-K900 HydrophobicContact CB-CD 4.47Å; N897-K900 WeakPolarHBondContact O-CB 3.45Å; N897-K900 PolarHBondContact O-N 3.39Å; N897-K900 VanDerWaalsContact O-N 3.16Å; N897-K900 PolarHBondContact OD1-NZ 2.98Å; K900-E904 HydrophobicContact CB-CB 4.32Å; K900-E904 WeakPolarHBondContact CB-OE2 3.21Å; K900-I905 HydrophobicContact CB-CG1 4.39Å; K900-L908 HydrophobicContact CD-CD1 4.05Å
901	K	78.6	Confident	78.3	Confident	116 Å²	116	53.8 Å²	53.8	50%	0.504	27%	0.272	S	S	.	.			trans	-68.9	152.4	178.3	-62.8	-63.2	-175.6	-178.4	0	110.3	G903 E904 I905	K901-G903 PolarHBondContact O-N 3.43Å; K901-E904 WeakPolarHBondContact O-CA 3.43Å; K901-E904 WeakPolarHBondContact O-CB 3.5Å; K901-E904 PolarHBondContact O-N 3.38Å; K901-I905 PolarHBondContact O-N 3.06Å
902	I	78.9	Confident	78.2	Confident	51 Å²	51	58.9 Å²	58.9	26%	0.262	29%	0.294	S	S	.	.	H	α-helix	trans	-55.3	-39.4	-178	-68.3	170.9	0	0	0	111.9	E881 W888 E904 I905 L906	E881-I902 HydrophobicContact CB-CD1 4.1Å; E881-I902 HydrophobicContact CG-CD1 3.9Å; W888-I902 HydrophobicContact CH2-CG2 3.86Å; W888-I902 HydrophobicContact CZ2-CG2 3.95Å; I902-E904 VanDerWaalsContact C-N 3.29Å; I902-E904 PolarHBondContact O-N 2.89Å; I902-I905 PolarHBondContact O-N 3.33Å; I902-L906 WeakPolarHBondContact O-CB 3.16Å; I902-L906 PolarHBondContact O-N 2.87Å
903	G	76.8	Confident	78.1	Confident	6 Å²	6	59.1 Å²	59.1	6%	0.062	29%	0.293	C	S	.	.	H	α-helix	trans	-61.4	-34.5	175.7	0	0	0	0	0	113.6	K901 V907	K901-G903 PolarHBondContact O-N 3.43Å; G903-V907 WeakPolarHBondContact O-CG2 3.17Å; G903-V907 PolarHBondContact O-N 3.47Å
904	E	81.6	Confident	77.2	Confident	104 Å²	104	62.7 Å²	62.7	49%	0.486	31%	0.309	S	S	.	.	H	α-helix	trans	-76.4	-38.6	175.3	-63.8	173.8	-175.9	0	0	111.4	K900 K901 I902 L906 V907 L908	K900-E904 HydrophobicContact CB-CB 4.32Å; K900-E904 WeakPolarHBondContact CB-OE2 3.21Å; K901-E904 WeakPolarHBondContact O-CA 3.43Å; K901-E904 WeakPolarHBondContact O-CB 3.5Å; K901-E904 PolarHBondContact O-N 3.38Å; I902-E904 VanDerWaalsContact C-N 3.29Å; I902-E904 PolarHBondContact O-N 2.89Å; E904-L906 VanDerWaalsContact C-N 3.26Å; E904-L906 PolarHBondContact O-N 2.78Å; E904-V907 PolarHBondContact O-N 3.19Å; E904-L908 WeakPolarHBondContact O-CG 3.47Å; E904-L908 PolarHBondContact O-N 3.2Å
905	I	83.4	Confident	75.7	Confident	11 Å²	11	64.8 Å²	64.8	6%	0.056	32%	0.32	C	S	.	.	H	α-helix	trans	-58.2	-43.1	173	-64.2	172.5	0	0	0	109.7	W888 V891 K900 K901 I902 V907 L908 V909	W888-I905 HydrophobicContact CD2-CG2 4.29Å; W888-I905 HydrophobicContact CE3-CG2 4.3Å; W888-I905 HydrophobicContact CH2-CB 4.14Å; W888-I905 HydrophobicContact CH2-CG2 3.79Å; W888-I905 HydrophobicContact CZ2-CB 4.31Å; W888-I905 HydrophobicContact CZ2-CG2 3.78Å; W888-I905 HydrophobicContact CZ3-CG2 4.07Å; V891-I905 HydrophobicContact CG1-CG2 4.39Å; K900-I905 HydrophobicContact CB-CG1 4.39Å; K901-I905 PolarHBondContact O-N 3.06Å; I902-I905 PolarHBondContact O-N 3.33Å; I905-V907 PolarHBondContact O-N 3.41Å; I905-L908 PolarHBondContact O-N 3.29Å; I905-V909 HydrophobicContact CG2-CG1 4.4Å; I905-V909 WeakPolarHBondContact O-CG2 3.45Å; I905-V909 PolarHBondContact O-N 3.49Å
906	L	82.6	Confident	74.1	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-59	-43.8	176.8	-175.5	66.8	0	0	0	112.4	W854 Y858 C877 W888 I902 E904 V909 A910	W854-L906 HydrophobicContact CB-CD1 3.88Å; Y858-L906 HydrophobicContact CD1-CD2 4.33Å; Y858-L906 HydrophobicContact CD1-CG 4.1Å; Y858-L906 HydrophobicContact CD2-CD2 4.33Å; Y858-L906 HydrophobicContact CG-CD2 4Å; Y858-L906 HydrophobicContact CG-CG 4.16Å; C877-L906 HydrophobicContact CB-CD2 4.05Å; W888-L906 HydrophobicContact CH2-CB 4.23Å; W888-L906 HydrophobicContact CZ3-CB 4.05Å; W888-L906 HydrophobicContact CZ3-CD1 3.84Å; I902-L906 WeakPolarHBondContact O-CB 3.16Å; I902-L906 PolarHBondContact O-N 2.87Å; E904-L906 VanDerWaalsContact C-N 3.26Å; E904-L906 PolarHBondContact O-N 2.78Å; L906-V909 HydrophobicContact CD1-CG2 4.28Å; L906-V909 WeakPolarHBondContact O-CG2 3.26Å; L906-A910 VanDerWaalsContact O-CB 3.27Å; L906-A910 WeakPolarHBondContact O-CB 3.44Å; L906-A910 PolarHBondContact O-N 3.42Å
907	V	83.9	Confident	72.4	Confident	65 Å²	65	65 Å²	65	39%	0.394	33%	0.327	S	S	.	.	H	α-helix	trans	-65.5	-40.9	176.4	175.3	0	0	0	0	110.7	Y858 G903 E904 I905 A910 A911	Y858-V907 HydrophobicContact CE1-CG2 3.97Å; G903-V907 WeakPolarHBondContact O-CG2 3.17Å; G903-V907 PolarHBondContact O-N 3.47Å; E904-V907 PolarHBondContact O-N 3.19Å; I905-V907 PolarHBondContact O-N 3.41Å; V907-A910 PolarHBondContact O-N 2.88Å; V907-A911 WeakPolarHBondContact O-CB 3.33Å; V907-A911 PolarHBondContact O-N 2.95Å
908	L	83.3	Confident	72.2	Confident	54 Å²	54	67.4 Å²	67.4	28%	0.283	34%	0.338	S	S	.	.	H	α-helix	trans	-67	-42.6	178.7	-69.9	173.4	0	0	0	112.7	V891 N897 K900 E904 I905 A910 A911 K912	V891-L908 HydrophobicContact CG1-CB 4.01Å; N897-L908 HydrophobicContact CB-CD1 4.42Å; K900-L908 HydrophobicContact CD-CD1 4.05Å; E904-L908 WeakPolarHBondContact O-CG 3.47Å; E904-L908 PolarHBondContact O-N 3.2Å; I905-L908 PolarHBondContact O-N 3.29Å; L908-A910 VanDerWaalsContact C-N 3.35Å; L908-A911 PolarHBondContact O-N 3.08Å; L908-K912 WeakPolarHBondContact O-CG 3.39Å; L908-K912 PolarHBondContact O-N 3.34Å
909	V	80.8	Confident	72.3	Confident	4 Å²	4	66.2 Å²	66.2	2%	0.024	34%	0.338	C	S	.	.	H	α-helix	trans	-65.3	-40.9	174.6	-66	0	0	0	0	110.8	A855 W888 V891 I905 L906 A911 K912 L913	A855-V909 HydrophobicContact CB-CB 3.99Å; A855-V909 HydrophobicContact CB-CG2 3.43Å; A855-V909 VanDerWaalsContact CB-CG2 3.43Å; W888-V909 HydrophobicContact CE3-CG1 4.2Å; W888-V909 HydrophobicContact CE3-CG2 3.93Å; W888-V909 HydrophobicContact CZ3-CG2 3.98Å; V891-V909 HydrophobicContact CB-CG1 3.61Å; V891-V909 HydrophobicContact CG1-CG1 4.11Å; V891-V909 HydrophobicContact CG2-CB 4.44Å; V891-V909 HydrophobicContact CG2-CG1 3.47Å; V891-V909 VanDerWaalsContact CG2-CG1 3.47Å; I905-V909 HydrophobicContact CG2-CG1 4.4Å; I905-V909 WeakPolarHBondContact O-CG2 3.45Å; I905-V909 PolarHBondContact O-N 3.49Å; L906-V909 HydrophobicContact CD1-CG2 4.28Å; L906-V909 WeakPolarHBondContact O-CG2 3.26Å; V909-A911 VanDerWaalsContact C-N 3.31Å; V909-A911 PolarHBondContact O-N 3.36Å; V909-K912 PolarHBondContact O-N 3.04Å; V909-L913 WeakPolarHBondContact O-CG 3.34Å; V909-L913 PolarHBondContact O-N 3.1Å
910	A	80.9	Confident	72.5	Confident	8 Å²	8	66.1 Å²	66.1	7%	0.066	34%	0.339	C	S	.	.	H	α-helix	trans	-63.7	-37	176.7	0	0	0	0	0	112.1	Y858 K859 L906 V907 L908	Y858-A910 HydrophobicContact CD1-CB 3.78Å; Y858-A910 HydrophobicContact CE1-CB 4.43Å; K859-A910 HydrophobicContact CB-CB 4.26Å; L906-A910 VanDerWaalsContact O-CB 3.27Å; L906-A910 WeakPolarHBondContact O-CB 3.44Å; L906-A910 PolarHBondContact O-N 3.42Å; V907-A910 PolarHBondContact O-N 2.88Å; L908-A910 VanDerWaalsContact C-N 3.35Å
911	A	80.5	Confident	72.2	Confident	78 Å²	78	65.1 Å²	65.1	65%	0.645	34%	0.338	S	S	*	.	H	α-helix	trans	-72.2	-38.1	176.2	0	0	0	0	0	113.2	V907 L908 V909 L913	V907-A911 WeakPolarHBondContact O-CB 3.33Å; V907-A911 PolarHBondContact O-N 2.95Å; L908-A911 PolarHBondContact O-N 3.08Å; V909-A911 VanDerWaalsContact C-N 3.31Å; V909-A911 PolarHBondContact O-N 3.36Å; A911-L913 VanDerWaalsContact C-N 3.26Å; A911-L913 PolarHBondContact O-N 3.48Å
912	K	78.6	Confident	71.8	Confident	109 Å²	109	61.9 Å²	61.9	47%	0.474	33%	0.328	S	S	.	.	H	α-helix	trans	-68.8	-23.3	177.2	-78.3	-167.9	-173.8	-176.3	0	113	V891 D894 L908 V909 K914	V891-K912 HydrophobicContact CG2-CD 3.65Å; D894-K912 IonicContact OD2-NZ 2.73Å; D894-K912 PolarHBondContact OD2-NZ 3.07Å; L908-K912 WeakPolarHBondContact O-CG 3.39Å; L908-K912 PolarHBondContact O-N 3.34Å; V909-K912 PolarHBondContact O-N 3.04Å; K912-K914 PolarHBondContact O-N 2.89Å; K912-K914 VanDerWaalsContact O-N 3.15Å
913	L	75.8	Confident	71.3	Confident	25 Å²	25	62.7 Å²	62.7	13%	0.131	33%	0.332	C	S	.	.	S	Bend	trans	-65.9	112.6	173	-74.3	171.3	0	0	0	109.4	A855 F856 K859 L887 V909 A911	A855-L913 HydrophobicContact CB-CD1 4.21Å; F856-L913 HydrophobicContact CD1-CD1 3.67Å; F856-L913 HydrophobicContact CD1-CD2 4.25Å; F856-L913 HydrophobicContact CE1-CD1 3.73Å; F856-L913 HydrophobicContact CE1-CD2 3.42Å; F856-L913 VanDerWaalsContact CE1-CD2 3.42Å; F856-L913 HydrophobicContact CE1-CG 4.19Å; F856-L913 HydrophobicContact CG-CD1 4.25Å; F856-L913 HydrophobicContact CZ-CD1 4.34Å; F856-L913 HydrophobicContact CZ-CD2 3.59Å; K859-L913 HydrophobicContact CD-CB 3.69Å; K859-L913 HydrophobicContact CD-CD1 3.97Å; K859-L913 PolarHBondContact NZ-O 2.92Å; L887-L913 HydrophobicContact CD1-CD2 3.75Å; V909-L913 WeakPolarHBondContact O-CG 3.34Å; V909-L913 PolarHBondContact O-N 3.1Å; A911-L913 VanDerWaalsContact C-N 3.26Å; A911-L913 PolarHBondContact O-N 3.48Å
914	K	57.4	Low	71	Confident	172 Å²	172	66.7 Å²	66.7	75%	0.748	35%	0.352	S	S	*	.			trans	-71.3	146.2	167.7	-67.9	-178.3	178.3	178	0	109.9	K859 K912 T916	K859-K914 PolarHBondContact NZ-O 3.27Å; K912-K914 PolarHBondContact O-N 2.89Å; K912-K914 VanDerWaalsContact O-N 3.15Å; K914-T916 HydrophobicContact CB-CG2 3.89Å; K914-T916 PolarHBondContact O-N 3.49Å
915	N	47.1	Very low	70.1	Confident	101 Å²	101	63.8 Å²	63.8	54%	0.54	34%	0.341	S	S	.	.			trans	-72.1	58	168	-78.6	-9.7	0	0	0	109.8	K859 F917	K859-N915 WeakPolarHBondContact CE-OD1 3.41Å; K859-N915 PolarHBondContact NZ-OD1 3.33Å; N915-F917 PolarHBondContact O-N 2.82Å
916	T	38.7	Very low	69	Low	107 Å²	107	68.3 Å²	68.3	66%	0.656	37%	0.365	S	S	*	.			trans	-93.1	90.7	175.1	48.2	0	0	0	0	108	K914	K914-T916 HydrophobicContact CB-CG2 3.89Å; K914-T916 PolarHBondContact O-N 3.49Å
917	F	38.8	Very low	67.8	Low	95 Å²	95	74.4 Å²	74.4	42%	0.417	40%	0.398	S	S	.	.			trans	-91.8	0	165.2	-71.9	-71.7	0	0	0	110.8	R799 W828 S829 N915	R799-F917 PolarHBondContact NH2-O 3.12Å; R799-F917 PolarHBondContact NH2-OXT 2.93Å; W828-F917 HydrophobicContact CD2-CE1 4.12Å; W828-F917 AromaticContact CD2-CZ 3.55Å; W828-F917 HydrophobicContact CD2-CZ 3.55Å; W828-F917 AromaticContact CE2-CZ 3.62Å; W828-F917 HydrophobicContact CE3-CE1 4.2Å; W828-F917 AromaticContact CE3-CZ 3.84Å; W828-F917 HydrophobicContact CE3-CZ 3.84Å; W828-F917 HydrophobicContact CG-CE1 4.31Å; W828-F917 AromaticContact CG-CZ 3.94Å; W828-F917 HydrophobicContact CG-CZ 3.94Å; W828-F917 HydrophobicContact CH2-CZ 4.26Å; W828-F917 HydrophobicContact CZ2-CE2 4.48Å; W828-F917 HydrophobicContact CZ2-CZ 4.01Å; W828-F917 HydrophobicContact CZ3-CZ 4.18Å; W828-F917 AromaticContact NE1-CZ 3.97Å; S829-F917 VanDerWaalsContact CB-CD1 3.49Å; S829-F917 WeakPolarHBondContact OG-CD1 3.22Å; N915-F917 PolarHBondContact O-N 2.82Å

Retrieved 917 of 917 residues in 640.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).