A0A087Y323_POEFO Loading...

Dynamin-binding protein

AlphaFold DB , UniProt , Accession A0A087Y323, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 803 aa.

						>A0A087Y323_POEFO|A0A087Y323
MDPKEAGGGEKDKERPIKRRNRPVFLRYLERRKTDTIVANDIANGDINLGTLVRRSQSDKTEYSAKLKEKLMPHDLSALPSPVLDVEEIRSRKMSRRAKVIKELVQTEKDYLTDLELCIREVVQPLRVLQVVDVDRLFTNMETVCEVSAALLHRMHTALSDPDPEAVVMGDVFIQAKAALEDVYKIYCYHHDDANMSLKAYEKEEQIKQHFTTCILALKKIYEQEGKPNLLDMGSLLIKPVQRIMKYPLLLGELWQATPEDHFDYLPLQEALTAAKIINVNINEFRRRKDIVMKYKRLENDEGTLRGKLNKINIHSLRKKGDRFAGYLKILTGVEPQVRDEVFDKEEKLFRSLEKAVRQLAKNVNCYVQYTQEMVPVAAQNVKDMENMITDPSKADTNGSSHKNGKDPYKYFKERMEELVLLPLTSLQGMFTAPQKLIQKRYDKLLDYCCRLERSSSLSSSSSTSTLSPTSSPASDAPPGPAKRDYEAINALLVDELQRFNMAAYAILTNCVLCLVALLRGLMGCALVGAPAVHQLPPPLSNMAEVQNSIMDELNNLTFVKDNAQKLMERKVSFERQRDKKTVVQEVQHQTEEQRAWLLAEYPPNRLYQLKRKCNGCQEQDLSLLEGELVALLEDTDPLGSSSRWLVHNGGDKGYVYSTFLKQYNPLRDSQRANQKAKEQQQAPVITYEDFDDLSLFVSPSSSGSMRSVSLNTTDSSSTLSGLQGELENAEEQGESVDGDTQQYYAVYAFQARCEQELSLQEYQHVRILQFCDLGGNKQWWLAESNGQKGYVPANYLGRMSYA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.2	Very low	32.1	Very low	245 Å²	245	140.9 Å²	140.9	100%	1.207	84%	0.842	S	S	*	*				0	129.6	0	-80.2	173.1	163.2	0	0	107.2
2	D	33.3	Very low	31.7	Very low	135 Å²	135	142.5 Å²	142.5	72%	0.722	84%	0.843	S	S	*	*			trans	-65.6	163.8	152.4	-104.9	-71.3	0	0	0	109.3
3	P	47.9	Very low	31.6	Very low	116 Å²	116	146.9 Å²	146.9	75%	0.753	85%	0.845	S	S	*	*			cis	-137.3	154.1	37.7	40.5	-22.5	0	0	0	118.8
4	K	34.3	Very low	31.3	Very low	155 Å²	155	149.6 Å²	149.6	67%	0.674	85%	0.846	S	S	*	*				9.1	151.6	113.7	-72.8	-178	165.7	-131.6	0	118.6
5	E	36.3	Very low	31.2	Very low	153 Å²	153	155.1 Å²	155.1	72%	0.715	85%	0.848	S	S	*	*			cis	-161.2	-179.8	7.7	-133.1	162.2	-147.6	0	0	113.5
6	A	30.4	Very low	30.9	Very low	106 Å²	106	153.1 Å²	153.1	88%	0.876	85%	0.845	S	S	*	*			trans	70.9	142.3	168.3	0	0	0	0	0	118.2
7	G	27.5	Very low	30.8	Very low	83 Å²	83	153.4 Å²	153.4	86%	0.856	84%	0.843	S	S	*	*			cis	162.1	127.1	-9.2	0	0	0	0	0	113.1
8	G	26.5	Very low	30.8	Very low	81 Å²	81	156.2 Å²	156.2	84%	0.835	85%	0.845	S	S	*	*			trans	159	112.3	176.6	0	0	0	0	0	112.1
9	G	26	Very low	30.6	Very low	82 Å²	82	160.4 Å²	160.4	85%	0.845	85%	0.848	S	S	*	*			trans	-77.2	141.2	-168.3	0	0	0	0	0	115.2
10	E	27	Very low	30.5	Very low	197 Å²	197	164.5 Å²	164.5	92%	0.921	85%	0.851	S	S	*	*			trans	-65.2	151.7	165.6	-64.9	-175.8	108.4	0	0	111.4
11	K	28	Very low	30.4	Very low	197 Å²	197	164.1 Å²	164.1	86%	0.857	85%	0.85	S	S	*	*			trans	-126	118.9	161.3	-83.6	-170.7	173.8	-178.5	0	109.4	K13	K11-K13 PolarHBondContact O-N 3.33Å
12	D	27.7	Very low	30.1	Very low	160 Å²	160	162.6 Å²	162.6	86%	0.856	83%	0.831	S	S	*	*			trans	-50.2	133.1	173.5	-100.7	-56.2	0	0	0	112.1	E14	D12-E14 PolarHBondContact O-N 3.15Å
13	K	29.2	Very low	30.1	Very low	200 Å²	200	161 Å²	161	87%	0.87	83%	0.828	S	S	*	*			trans	-91	93.1	168.6	-78	-178.4	177.8	172	0	109.1	K11	K11-K13 PolarHBondContact O-N 3.33Å
14	E	27.9	Very low	29.5	Very low	184 Å²	184	160.9 Å²	160.9	86%	0.86	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-50.8	141	174.9	-68.9	-167.6	115.9	0	0	112.5	D12	D12-E14 PolarHBondContact O-N 3.15Å
15	R	29.5	Very low	29.7	Very low	232 Å²	232	158.3 Å²	158.3	88%	0.875	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-73.9	125.1	179.6	-61	175.2	-177.7	174.9	0.1	109.8	I17	R15-I17 PolarHBondContact O-N 3.07Å; R15-I17 VanDerWaalsContact O-N 3.16Å
16	P	27.1	Very low	29.6	Very low	124 Å²	124	156 Å²	156	81%	0.805	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-67.5	117.2	-178.3	25.8	-33.6	0	0	0	111.6	K18	P16-K18 PolarHBondContact O-N 3.08Å
17	I	29.4	Very low	29.7	Very low	158 Å²	158	160.7 Å²	160.7	81%	0.81	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-62	117	177.8	-61.7	172.4	0	0	0	109.5	R15 R19	R15-I17 PolarHBondContact O-N 3.07Å; R15-I17 VanDerWaalsContact O-N 3.16Å; I17-R19 PolarHBondContact O-N 2.74Å
18	K	29.5	Very low	30	Very low	203 Å²	203	166.6 Å²	166.6	88%	0.883	80%	0.799	S	S	*	*			trans	-60.1	101.3	177.6	-72.9	-175.4	177	179.9	0	110.6	P16 R20	P16-K18 PolarHBondContact O-N 3.08Å; K18-R20 PolarHBondContact O-N 2.6Å
19	R	26.9	Very low	30.3	Very low	236 Å²	236	168.4 Å²	168.4	89%	0.891	79%	0.789	S	S	*	*			trans	-61.6	129.1	173	-75.8	-175.5	172.5	-177.5	-1.4	109.6	I17 N21	I17-R19 PolarHBondContact O-N 2.74Å; R19-N21 PolarHBondContact O-N 2.98Å; R19-N21 VanDerWaalsContact O-N 3.14Å
20	R	28.6	Very low	30.4	Very low	243 Å²	243	172.7 Å²	172.7	92%	0.917	79%	0.787	S	S	*	*			trans	-66.2	107.7	-178.5	-166.7	176.8	-169.5	165.2	3.7	109.9	K18 R22	K18-R20 PolarHBondContact O-N 2.6Å; R20-R22 PolarHBondContact O-N 2.56Å
21	N	28.3	Very low	30.4	Very low	156 Å²	156	174.2 Å²	174.2	83%	0.834	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-54.6	124.7	178.5	-83.8	-9.4	0	0	0	110.7	R19	R19-N21 PolarHBondContact O-N 2.98Å; R19-N21 VanDerWaalsContact O-N 3.14Å
22	R	30.1	Very low	30.6	Very low	214 Å²	214	176.1 Å²	176.1	81%	0.808	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-81.4	140.2	167.3	-67.9	-177.3	177.5	-178.3	-0.5	108.5	R20	R20-R22 PolarHBondContact O-N 2.56Å
23	P	33.3	Very low	30.7	Very low	101 Å²	101	178.3 Å²	178.3	66%	0.656	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-63.4	144.6	175.6	27	-34.1	0	0	0	111.1	F25	P23-F25 PolarHBondContact O-N 2.84Å; P23-F25 VanDerWaalsContact O-N 3.13Å
24	V	36	Very low	30.9	Very low	114 Å²	114	175.1 Å²	175.1	69%	0.691	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-25.3	-171.2	179.3	0	0	0	0	113.1	L26 R27	V24-L26 PolarHBondContact O-N 3.11Å; V24-R27 PolarHBondContact O-N 2.97Å
25	F	38.9	Very low	30.8	Very low	101 Å²	101	174.1 Å²	174.1	44%	0.443	79%	0.786	S	S	.	*	T	Hydrogen-bonded Turn	trans	-52.1	-32.6	-173.6	-161.1	-108.3	0	0	0	114.8	P23 R27 Y28 L29	P23-F25 PolarHBondContact O-N 2.84Å; P23-F25 VanDerWaalsContact O-N 3.13Å; F25-R27 PolarHBondContact O-N 3.19Å; F25-Y28 PolarHBondContact O-N 2.92Å; F25-L29 HydrophobicContact CE1-CD1 4.3Å
26	L	33.9	Very low	30.7	Very low	103 Å²	103	169.3 Å²	169.3	54%	0.539	78%	0.783	S	S	.	*	H	α-helix	trans	-63.2	-24.4	178	-83.9	169.8	0	0	0	114	V24 Y28	V24-L26 PolarHBondContact O-N 3.11Å; L26-Y28 VanDerWaalsContact C-N 3.27Å; L26-Y28 PolarHBondContact O-N 3.31Å
27	R	33	Very low	30.7	Very low	206 Å²	206	171.4 Å²	171.4	78%	0.777	79%	0.785	S	S	*	*	H	α-helix	trans	-67.9	-23.6	178.6	-75.6	-173.4	172.6	178.5	-1.6	113.8	V24 F25	V24-R27 PolarHBondContact O-N 2.97Å; F25-R27 PolarHBondContact O-N 3.19Å
28	Y	32.5	Very low	30.6	Very low	206 Å²	206	170 Å²	170	81%	0.808	78%	0.784	S	S	*	*	H	α-helix	trans	-82.9	-19.8	-176.8	-104.8	-84.6	0	0	0	113.9	F25 L26	F25-Y28 PolarHBondContact O-N 2.92Å; L26-Y28 VanDerWaalsContact C-N 3.27Å; L26-Y28 PolarHBondContact O-N 3.31Å
29	L	32.9	Very low	30.6	Very low	120 Å²	120	164 Å²	164	63%	0.628	77%	0.772	S	S	*	*	H	α-helix	trans	-101.5	-8.7	-177.3	-68.5	172.1	0	0	0	114.1	F25	F25-L29 HydrophobicContact CE1-CD1 4.3Å
30	E	29.1	Very low	30.8	Very low	171 Å²	171	159.2 Å²	159.2	80%	0.799	76%	0.764	S	S	*	*	S	Bend	trans	-90.2	-6.6	-178.2	-137.1	162.4	-144.2	0	0	113.4	R32	E30-R32 VanDerWaalsContact C-N 3.34Å; E30-R32 PolarHBondContact O-N 3.31Å
31	R	27.1	Very low	30.7	Very low	229 Å²	229	153.9 Å²	153.9	86%	0.864	75%	0.754	S	S	*	*			trans	-81	73.8	171.3	-78.6	-167	171.8	-159.3	-2.1	112.3
32	R	31.6	Very low	30.7	Very low	238 Å²	238	154 Å²	154	90%	0.898	75%	0.753	S	S	*	*			trans	-134.3	67.8	157	-76.6	-163.5	-179	-175.9	2.1	111.8	E30	E30-R32 VanDerWaalsContact C-N 3.34Å; E30-R32 PolarHBondContact O-N 3.31Å
33	K	30.7	Very low	30.6	Very low	205 Å²	205	147.7 Å²	147.7	89%	0.891	75%	0.746	S	S	*	*	S	Bend	trans	-127.2	152.1	143.8	-75.4	-164.2	172.7	-171.5	0	108.3
34	T	33.5	Very low	30.4	Very low	133 Å²	133	150.6 Å²	150.6	82%	0.816	76%	0.757	S	S	*	*			trans	-64.5	135.8	-173.8	46.7	0	0	0	0	112.3
35	D	25	Very low	30	Very low	163 Å²	163	148.6 Å²	148.6	87%	0.872	76%	0.758	S	S	*	*			trans	-152	138.4	145.4	-87.3	-44.5	0	0	0	108.2
36	T	27.1	Very low	29.4	Very low	132 Å²	132	151.2 Å²	151.2	81%	0.81	78%	0.777	S	S	*	*			trans	-85.5	132.9	-178.3	42.7	0	0	0	0	111.5
37	I	27.1	Very low	29.1	Very low	167 Å²	167	153.9 Å²	153.9	86%	0.856	79%	0.79	S	S	*	*			trans	-87.5	130.2	170	-61.5	175.6	0	0	0	108.9
38	V	27.3	Very low	28.7	Very low	128 Å²	128	150.7 Å²	150.7	78%	0.776	79%	0.789	S	S	*	*			trans	-126.5	152.2	169.5	178.4	0	0	0	0	107.2
39	A	29.4	Very low	28.5	Very low	77 Å²	77	150.1 Å²	150.1	64%	0.636	80%	0.799	S	S	*	*			trans	-118.7	164.3	-175.3	0	0	0	0	0	110.6
40	N	30.7	Very low	28.4	Very low	137 Å²	137	147.3 Å²	147.3	73%	0.733	80%	0.799	S	S	*	*			cis	-109.4	-117.3	6.6	-37.3	-57.8	0	0	0	110.9
41	D	26.9	Very low	28.6	Very low	131 Å²	131	145.5 Å²	145.5	70%	0.701	80%	0.8	S	S	*	*			cis	-146.6	171.7	-4	-133.6	-47.3	0	0	0	112.8
42	I	29	Very low	28.6	Very low	159 Å²	159	142.9 Å²	142.9	82%	0.815	80%	0.802	S	S	*	*			trans	-88.6	131.2	-158.6	-61	159.4	0	0	0	113.3
43	A	28	Very low	28.5	Very low	80 Å²	80	137.2 Å²	137.2	66%	0.661	79%	0.794	S	S	*	*			trans	-171.8	141.7	140.3	0	0	0	0	0	113.7
44	N	29.1	Very low	28.5	Very low	163 Å²	163	138.7 Å²	138.7	87%	0.872	79%	0.793	S	S	*	*			trans	59	127.5	153.9	-61.3	-11.7	0	0	0	120.9
45	G	26.7	Very low	28.3	Very low	71 Å²	71	144.4 Å²	144.4	73%	0.732	80%	0.8	S	S	*	*			trans	-71.8	171.7	-173.9	0	0	0	0	0	117.9
46	D	27.1	Very low	28.4	Very low	156 Å²	156	141.5 Å²	141.5	83%	0.834	79%	0.793	S	S	*	*			trans	53.7	119.1	165.5	-59.6	-20.1	0	0	0	119.3
47	I	26.5	Very low	28.7	Very low	159 Å²	159	144.6 Å²	144.6	82%	0.815	80%	0.798	S	S	*	*				-175.9	145.2	109.5	-92.7	155.8	0	0	0	111.6
48	N	26	Very low	29.2	Very low	139 Å²	139	140.8 Å²	140.8	74%	0.743	79%	0.786	S	S	*	*			trans	-18.9	128.5	171.8	-64.6	-81.9	0	0	0	118.6	G50	N48-G50 PolarHBondContact O-N 2.99Å
49	L	27.9	Very low	29.9	Very low	194 Å²	194	140.5 Å²	140.5	100%	1.016	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	53.7	166.8	-167.9	66.9	0	0	0	112.1
50	G	31.7	Very low	30.5	Very low	62 Å²	62	146.1 Å²	146.1	64%	0.639	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	-22.6	-171.7	0	0	0	0	0	115.9	N48	N48-G50 PolarHBondContact O-N 2.99Å
51	T	31.6	Very low	31.4	Very low	132 Å²	132	144.8 Å²	144.8	81%	0.81	79%	0.788	S	S	*	*			trans	-152.3	115.7	-170.6	34	0	0	0	0	113.4
52	L	27.3	Very low	32.3	Very low	174 Å²	174	143.8 Å²	143.8	91%	0.911	78%	0.779	S	S	*	*			trans	-158.8	127.6	146.2	-119.2	157.2	0	0	0	111
53	V	29.8	Very low	33	Very low	120 Å²	120	144.7 Å²	144.7	73%	0.727	77%	0.773	S	S	*	*			trans	-127.7	135.9	-175.7	169.4	0	0	0	0	108.6
54	R	31.4	Very low	33.6	Very low	235 Å²	235	144.1 Å²	144.1	89%	0.887	76%	0.764	S	S	*	*			trans	38.9	119.8	164.3	-67.7	173.1	169.7	176.1	-5.1	118.3
55	R	28.5	Very low	34.5	Very low	253 Å²	253	139.1 Å²	139.1	96%	0.955	75%	0.745	S	S	*	*			trans	-123.8	165.4	141.8	-79	-167.6	169.3	173.8	-2.4	111
56	S	28	Very low	35.8	Very low	103 Å²	103	141.1 Å²	141.1	72%	0.72	73%	0.734	S	S	*	*			trans	-86.8	171.9	-159.1	-158.4	0	0	0	0	114.4
57	Q	33.5	Very low	36.7	Very low	196 Å²	196	138 Å²	138	92%	0.916	72%	0.717	S	S	*	*	S	Bend	trans	-89	94.5	168.5	-66.3	-177.5	-1.3	0	0	110.1
58	S	37.8	Very low	37.6	Very low	88 Å²	88	138.1 Å²	138.1	62%	0.615	71%	0.711	S	S	*	*			trans	-151.9	11.4	178.5	53.1	0	0	0	0	117.4
59	D	41.3	Very low	38.7	Very low	122 Å²	122	138.1 Å²	138.1	65%	0.652	71%	0.707	S	S	*	*			trans	-122.1	22.2	-172.6	-63.1	-61.3	0	0	0	114.9	T61	D59-T61 PolarHBondContact O-N 3.15Å
60	K	41.8	Very low	39.8	Very low	194 Å²	194	137.6 Å²	137.6	84%	0.843	70%	0.697	S	S	*	*	H	α-helix	trans	-78.1	-16.8	-171.5	-159.5	169.9	-177.5	-178.8	0	114.8
61	T	50.1	Low	40.3	Very low	110 Å²	110	140.6 Å²	140.6	68%	0.675	70%	0.697	S	S	*	*	H	α-helix	trans	-82.1	-49.6	-177.6	39.8	0	0	0	0	113	D59 Y63 S64 A65	D59-T61 PolarHBondContact O-N 3.15Å; T61-Y63 PolarHBondContact O-N 3.02Å; T61-S64 PolarHBondContact O-N 3.14Å; T61-S64 VanDerWaalsContact O-N 3.08Å; T61-S64 PolarHBondContact O-OG 3.34Å; T61-A65 PolarHBondContact O-N 3.25Å
62	E	45.1	Very low	40.8	Very low	109 Å²	109	140.2 Å²	140.2	51%	0.509	69%	0.688	S	S	.	*	H	α-helix	trans	-61.8	-41.4	-174.2	-161.4	-167	139.5	0	0	112.7	S64 A65 K66	E62-S64 PolarHBondContact O-N 2.91Å; E62-A65 PolarHBondContact O-N 2.93Å; E62-A65 VanDerWaalsContact O-N 3.14Å; E62-K66 HydrophobicContact CG-CD 4.5Å; E62-K66 PolarHBondContact O-N 3.48Å; E62-K66 VanDerWaalsContact O-N 3.1Å; E62-K66 WeakPolarHBondContact OE1-CE 3.44Å; E62-K66 IonicContact OE1-NZ 2.68Å; E62-K66 PolarHBondContact OE1-NZ 2.71Å
63	Y	43	Very low	41.6	Very low	178 Å²	178	137.9 Å²	137.9	70%	0.698	68%	0.683	S	S	*	*	H	α-helix	trans	-59.6	-35.7	176.1	-167.3	-91.7	0	0	0	112.3	T61 L67	T61-Y63 PolarHBondContact O-N 3.02Å; Y63-L67 VanDerWaalsContact O-CB 3.28Å; Y63-L67 WeakPolarHBondContact O-CB 3.39Å; Y63-L67 PolarHBondContact O-N 3.19Å; Y63-L67 VanDerWaalsContact O-N 3.1Å
64	S	41.2	Very low	42.1	Very low	68 Å²	68	139.8 Å²	139.8	48%	0.476	68%	0.684	S	S	.	*	H	α-helix	trans	-73.2	-28.4	178.2	77	0	0	0	0	113.5	T61 E62 K68	T61-S64 PolarHBondContact O-N 3.14Å; T61-S64 VanDerWaalsContact O-N 3.08Å; T61-S64 PolarHBondContact O-OG 3.34Å; E62-S64 PolarHBondContact O-N 2.91Å; S64-K68 PolarHBondContact O-N 3.04Å
65	A	48.7	Very low	42.8	Very low	58 Å²	58	136.6 Å²	136.6	48%	0.479	68%	0.684	S	S	.	*	H	α-helix	trans	-72.3	-53.2	174.9	0	0	0	0	0	110.7	T61 E62 L67 K68 E69	T61-A65 PolarHBondContact O-N 3.25Å; E62-A65 PolarHBondContact O-N 2.93Å; E62-A65 VanDerWaalsContact O-N 3.14Å; A65-L67 PolarHBondContact O-N 3.28Å; A65-K68 PolarHBondContact O-N 3.37Å; A65-E69 PolarHBondContact O-N 3.4Å
66	K	53.2	Low	43.3	Very low	114 Å²	114	131.9 Å²	131.9	50%	0.496	68%	0.677	S	S	.	*	H	α-helix	trans	-62.2	-25.4	178.3	-74.9	174.8	171.7	171.4	0	113.5	E62 K70	E62-K66 HydrophobicContact CG-CD 4.5Å; E62-K66 PolarHBondContact O-N 3.48Å; E62-K66 VanDerWaalsContact O-N 3.1Å; E62-K66 WeakPolarHBondContact OE1-CE 3.44Å; E62-K66 IonicContact OE1-NZ 2.68Å; E62-K66 PolarHBondContact OE1-NZ 2.71Å; K66-K70 PolarHBondContact O-N 3.34Å
67	L	45.8	Very low	44.2	Very low	91 Å²	91	132.4 Å²	132.4	48%	0.476	68%	0.681	S	S	.	*	H	α-helix	trans	-75.9	-36.7	172.7	-170.6	63.6	0	0	0	112.7	Y63 A65 L71	Y63-L67 VanDerWaalsContact O-CB 3.28Å; Y63-L67 WeakPolarHBondContact O-CB 3.39Å; Y63-L67 PolarHBondContact O-N 3.19Å; Y63-L67 VanDerWaalsContact O-N 3.1Å; A65-L67 PolarHBondContact O-N 3.28Å; L67-L71 HydrophobicContact CG-CD1 4.31Å; L67-L71 WeakPolarHBondContact O-CD1 3.17Å; L67-L71 WeakPolarHBondContact O-CG 3.47Å
68	K	46.4	Very low	44.3	Very low	160 Å²	160	127.5 Å²	127.5	70%	0.696	67%	0.674	S	S	*	*	H	α-helix	trans	-68.6	-41	173.5	-83.7	-171.3	171.3	-171.9	0	112.5	S64 A65 K70 L71	S64-K68 PolarHBondContact O-N 3.04Å; A65-K68 PolarHBondContact O-N 3.37Å; K68-K70 VanDerWaalsContact C-N 3.25Å; K68-K70 PolarHBondContact O-N 2.96Å; K68-L71 PolarHBondContact O-N 3.49Å
69	E	48.4	Very low	44.4	Very low	140 Å²	140	130.5 Å²	130.5	65%	0.654	68%	0.682	S	S	*	*	H	α-helix	trans	-56.3	-40.2	176.5	-171.5	175.5	-156.2	0	0	111.7	A65 L71	A65-E69 PolarHBondContact O-N 3.4Å; E69-L71 VanDerWaalsContact C-N 3.3Å; E69-L71 PolarHBondContact O-N 3.01Å
70	K	50.8	Low	44.5	Very low	183 Å²	183	130.5 Å²	130.5	80%	0.796	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	2.2	175.7	-71	-168	173.3	-166.9	0	115.9	K66 K68	K66-K70 PolarHBondContact O-N 3.34Å; K68-K70 VanDerWaalsContact C-N 3.25Å; K68-K70 PolarHBondContact O-N 2.96Å
71	L	42.7	Very low	44.7	Very low	124 Å²	124	126.1 Å²	126.1	65%	0.649	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.3	10.5	-178.9	-81.3	168.3	0	0	0	113.4	L67 K68 E69	L67-L71 HydrophobicContact CG-CD1 4.31Å; L67-L71 WeakPolarHBondContact O-CD1 3.17Å; L67-L71 WeakPolarHBondContact O-CG 3.47Å; K68-L71 PolarHBondContact O-N 3.49Å; E69-L71 VanDerWaalsContact C-N 3.3Å; E69-L71 PolarHBondContact O-N 3.01Å
72	M	42.4	Very low	44.8	Very low	125 Å²	125	126.4 Å²	126.4	62%	0.616	69%	0.686	S	S	*	*	S	Bend	trans	-83.9	133.3	167.5	-63.1	-71.4	86.4	0	0	110.4	H74	M72-H74 PolarHBondContact O-N 3.38Å
73	P	44.6	Very low	45.3	Very low	124 Å²	124	127.8 Å²	127.8	81%	0.805	70%	0.702	S	S	*	*			trans	-72.8	108.1	175.1	29.6	-32.5	0	0	0	109.6
74	H	39.8	Very low	46.1	Very low	160 Å²	160	123.3 Å²	123.3	74%	0.741	69%	0.69	S	S	*	*			trans	-89.7	113.6	169.5	-84.7	-76.9	0	0	0	110.2	M72 L76	M72-H74 PolarHBondContact O-N 3.38Å; H74-L76 PolarHBondContact O-N 2.9Å
75	D	45.3	Very low	47.8	Very low	168 Å²	168	125.1 Å²	125.1	90%	0.898	69%	0.694	S	S	*	*			trans	-63.1	99	165.6	-80.2	-49.8	0	0	0	110.1
76	L	39.5	Very low	49.2	Very low	154 Å²	154	127.9 Å²	127.9	81%	0.806	71%	0.705	S	S	*	*			trans	-136.3	127.4	164.3	-78.3	179.8	0	0	0	110.6	H74 A78	H74-L76 PolarHBondContact O-N 2.9Å; L76-A78 PolarHBondContact O-N 2.97Å
77	S	46	Very low	50.6	Low	115 Å²	115	127.6 Å²	127.6	80%	0.804	71%	0.705	S	S	*	*			trans	-56	108.9	171.3	-178.3	0	0	0	0	110.4	L79	S77-L79 PolarHBondContact O-N 3.46Å
78	A	36.7	Very low	52.7	Low	93 Å²	93	127.2 Å²	127.2	77%	0.769	70%	0.701	S	S	*	*			trans	-76.1	109	170	0	0	0	0	0	108.8	L76	L76-A78 PolarHBondContact O-N 2.97Å
79	L	39.9	Very low	54.6	Low	150 Å²	150	123.4 Å²	123.4	79%	0.785	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-58.5	139.9	161	-77.8	93.4	0	0	0	108.4	S77 S81	S77-L79 PolarHBondContact O-N 3.46Å; L79-S81 PolarHBondContact O-N 3.38Å; L79-S81 VanDerWaalsContact O-N 3.08Å
80	P	44.2	Very low	56.6	Low	123 Å²	123	119.4 Å²	119.4	80%	0.799	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-61.4	116.8	177.5	-22	33	0	0	0	110.7
81	S	45.6	Very low	58.5	Low	102 Å²	102	114.2 Å²	114.2	71%	0.713	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-53.6	138.4	153.4	-63.5	0	0	0	0	107.8	L79 V83	L79-S81 PolarHBondContact O-N 3.38Å; L79-S81 VanDerWaalsContact O-N 3.08Å; S81-V83 PolarHBondContact O-N 3.48Å
82	P	51.2	Low	60.9	Low	115 Å²	115	114.6 Å²	114.6	75%	0.747	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-57.7	127.6	179.9	24.2	-33.4	0	0	0	109.3	L84	P82-L84 PolarHBondContact O-N 2.93Å
83	V	55.9	Low	63.3	Low	138 Å²	138	111.1 Å²	111.1	84%	0.836	63%	0.627	S	S	*	*			trans	-60.7	112.2	172.7	179.6	0	0	0	0	106.6	S81 D85	S81-V83 PolarHBondContact O-N 3.48Å; V83-D85 PolarHBondContact O-N 3.3Å
84	L	60.6	Low	65.6	Low	85 Å²	85	106.7 Å²	106.7	45%	0.445	60%	0.596	S	S	.	*			trans	-60	131.2	173.1	-69.9	177.2	0	0	0	108	P82 V86 I89	P82-L84 PolarHBondContact O-N 2.93Å; L84-V86 PolarHBondContact O-N 3.5Å; L84-I89 HydrophobicContact CB-CD1 4.15Å; L84-I89 HydrophobicContact CB-CG1 4.27Å
85	D	75.4	Confident	68.2	Low	106 Å²	106	102 Å²	102	57%	0.567	58%	0.581	S	S	*	*			trans	-58.7	137.2	-178.2	-170.8	0.3	0	0	0	110	V83 E87 E88 I89	V83-D85 PolarHBondContact O-N 3.3Å; D85-E87 PolarHBondContact O-N 2.92Å; D85-E87 PolarHBondContact OD1-N 2.83Å; D85-E88 HydrophobicContact CB-CB 4.24Å; D85-E88 WeakPolarHBondContact O-CB 3.45Å; D85-E88 PolarHBondContact O-N 3Å; D85-I89 PolarHBondContact O-N 3.06Å
86	V	79.4	Confident	70.6	Confident	116 Å²	116	99.6 Å²	99.6	70%	0.703	56%	0.56	S	S	*	*	H	α-helix	trans	-58.8	-35.3	180	-179.5	0	0	0	0	109.7	L84 I89 R90	L84-V86 PolarHBondContact O-N 3.5Å; V86-I89 PolarHBondContact O-N 3.15Å; V86-R90 PolarHBondContact O-N 3.37Å
87	E	82.9	Confident	73.3	Confident	108 Å²	108	92.4 Å²	92.4	51%	0.505	52%	0.522	S	S	.	.	H	α-helix	trans	-70.8	-34.2	176.5	-166.2	51.4	-132.7	0	0	112.6	D85 I89 R90 S91	D85-E87 PolarHBondContact O-N 2.92Å; D85-E87 PolarHBondContact OD1-N 2.83Å; E87-I89 VanDerWaalsContact C-N 3.31Å; E87-I89 PolarHBondContact O-N 3.15Å; E87-R90 PolarHBondContact O-N 3.37Å; E87-R90 WeakPolarHBondContact OE1-CD 3.26Å; E87-S91 WeakPolarHBondContact O-CB 3.47Å; E87-S91 PolarHBondContact O-N 3.27Å
88	E	88.1	Confident	75.6	Confident	82 Å²	82	90 Å²	90	38%	0.383	51%	0.508	S	S	.	.	H	α-helix	trans	-66.7	-37.5	173	-151.4	-154	166.8	0	0	111	D85 R92	D85-E88 HydrophobicContact CB-CB 4.24Å; D85-E88 WeakPolarHBondContact O-CB 3.45Å; D85-E88 PolarHBondContact O-N 3Å; E88-R92 VanDerWaalsContact CD-NE 3.32Å; E88-R92 VanDerWaalsContact O-CB 3.32Å; E88-R92 WeakPolarHBondContact O-CB 3.35Å; E88-R92 WeakPolarHBondContact O-CD 3.37Å; E88-R92 WeakPolarHBondContact O-CG 3.31Å; E88-R92 PolarHBondContact O-N 3.04Å; E88-R92 IonicContact OE1-CZ 3.97Å; E88-R92 IonicContact OE1-NE 2.65Å; E88-R92 PolarHBondContact OE1-NE 3.45Å; E88-R92 IonicContact OE1-NH2 2.97Å; E88-R92 PolarHBondContact OE1-NH2 3.21Å; E88-R92 IonicContact OE2-CZ 3.32Å; E88-R92 IonicContact OE2-NE 2.79Å; E88-R92 IonicContact OE2-NH2 3.03Å; E88-R92 PolarHBondContact OE2-NH2 2.97Å
89	I	87.2	Confident	78.5	Confident	81 Å²	81	92.1 Å²	92.1	42%	0.415	50%	0.5	S	S	.	.	H	α-helix	trans	-65.8	-42	173.9	-62.5	170.5	0	0	0	110.6	L84 D85 V86 E87 K93	L84-I89 HydrophobicContact CB-CD1 4.15Å; L84-I89 HydrophobicContact CB-CG1 4.27Å; D85-I89 PolarHBondContact O-N 3.06Å; V86-I89 PolarHBondContact O-N 3.15Å; E87-I89 VanDerWaalsContact C-N 3.31Å; E87-I89 PolarHBondContact O-N 3.15Å; I89-K93 WeakPolarHBondContact O-CB 3.46Å; I89-K93 PolarHBondContact O-N 2.9Å
90	R	91.4	Very high	81.2	Confident	56 Å²	56	85.2 Å²	85.2	21%	0.211	46%	0.464	C	S	.	.	H	α-helix	trans	-58.5	-52.9	174	-167.1	-149.7	-169.9	76.6	10.2	111.1	V86 E87 R92 K93 M94 E165 P259 D261	V86-R90 PolarHBondContact O-N 3.37Å; E87-R90 PolarHBondContact O-N 3.37Å; E87-R90 WeakPolarHBondContact OE1-CD 3.26Å; R90-R92 PolarHBondContact O-N 2.89Å; R90-K93 WeakPolarHBondContact O-CA 3.41Å; R90-K93 WeakPolarHBondContact O-CB 3.49Å; R90-K93 PolarHBondContact O-N 3.41Å; R90-K93 VanDerWaalsContact O-N 3.12Å; R90-M94 PolarHBondContact O-N 3.47Å; R90-E165 IonicContact CZ-OE1 3.05Å; R90-E165 IonicContact CZ-OE2 3.53Å; R90-E165 IonicContact NE-OE1 3.73Å; R90-E165 PolarHBondContact NE-OE1 2.89Å; R90-E165 IonicContact NH2-OE1 2.66Å; R90-E165 PolarHBondContact NH2-OE1 2.93Å; R90-E165 IonicContact NH2-OE2 3.16Å; R90-E165 PolarHBondContact NH2-OE2 3.44Å; R90-P259 HydrophobicContact CG-CB 4.38Å; R90-P259 HydrophobicContact CG-CG 3.92Å; R90-D261 IonicContact CZ-OD2 3.09Å; R90-D261 VanDerWaalsContact CZ-OD2 3.25Å; R90-D261 IonicContact NH1-OD1 2.77Å; R90-D261 PolarHBondContact NH1-OD1 3.47Å; R90-D261 IonicContact NH1-OD2 2.7Å; R90-D261 PolarHBondContact NH1-OD2 3.38Å; R90-D261 IonicContact NH2-OD2 3.11Å; R90-D261 PolarHBondContact NH2-OD2 2.92Å
91	S	90	Very high	83.7	Confident	73 Å²	73	80 Å²	80	51%	0.51	43%	0.43	S	S	.	.	H	α-helix	trans	-59.8	-43.6	-179.1	-178.9	0	0	0	0	112.2	E87 K93 M94 S95	E87-S91 WeakPolarHBondContact O-CB 3.47Å; E87-S91 PolarHBondContact O-N 3.27Å; S91-K93 PolarHBondContact O-N 3.2Å; S91-M94 PolarHBondContact O-N 3.01Å; S91-S95 WeakPolarHBondContact O-CB 3.31Å; S91-S95 PolarHBondContact O-N 3.43Å
92	R	92.2	Very high	86.1	Confident	132 Å²	132	82.7 Å²	82.7	50%	0.498	43%	0.429	S	S	.	.	H	α-helix	trans	-62.1	-41.6	173.5	-72	167.9	178.7	-161.4	7.4	112.2	E88 R90 R96	E88-R92 VanDerWaalsContact CD-NE 3.32Å; E88-R92 VanDerWaalsContact O-CB 3.32Å; E88-R92 WeakPolarHBondContact O-CB 3.35Å; E88-R92 WeakPolarHBondContact O-CD 3.37Å; E88-R92 WeakPolarHBondContact O-CG 3.31Å; E88-R92 PolarHBondContact O-N 3.04Å; E88-R92 IonicContact OE1-CZ 3.97Å; E88-R92 IonicContact OE1-NE 2.65Å; E88-R92 PolarHBondContact OE1-NE 3.45Å; E88-R92 IonicContact OE1-NH2 2.97Å; E88-R92 PolarHBondContact OE1-NH2 3.21Å; E88-R92 IonicContact OE2-CZ 3.32Å; E88-R92 IonicContact OE2-NE 2.79Å; E88-R92 IonicContact OE2-NH2 3.03Å; E88-R92 PolarHBondContact OE2-NH2 2.97Å; R90-R92 PolarHBondContact O-N 2.89Å; R92-R96 PolarHBondContact O-N 2.89Å
93	K	93.4	Very high	88.3	Confident	52 Å²	52	82.1 Å²	82.1	23%	0.226	42%	0.416	C	S	.	.	H	α-helix	trans	-59.3	-55.6	172.7	-93.5	-172	168.2	-165.5	0	110.8	I89 R90 S91 S95 R96 R97 A257 T258 P259 E260	I89-K93 WeakPolarHBondContact O-CB 3.46Å; I89-K93 PolarHBondContact O-N 2.9Å; R90-K93 WeakPolarHBondContact O-CA 3.41Å; R90-K93 WeakPolarHBondContact O-CB 3.49Å; R90-K93 PolarHBondContact O-N 3.41Å; R90-K93 VanDerWaalsContact O-N 3.12Å; S91-K93 PolarHBondContact O-N 3.2Å; K93-S95 VanDerWaalsContact C-N 3.32Å; K93-S95 PolarHBondContact O-N 3.48Å; K93-R96 CarbonylContact O-C 3.53Å; K93-R96 WeakPolarHBondContact O-CA 3.45Å; K93-R96 WeakPolarHBondContact O-CB 3.5Å; K93-R96 PolarHBondContact O-N 3.11Å; K93-R97 PolarHBondContact O-N 2.93Å; K93-A257 CarbonylContact C-O 3.53Å; K93-A257 WeakPolarHBondContact CB-O 3.37Å; K93-T258 PolarHBondContact NZ-O 3.14Å; K93-P259 HydrophobicContact CB-CG 4.36Å; K93-E260 IonicContact NZ-OE1 3.91Å
94	M	93.9	Very high	90.3	Very high	31 Å²	31	75.6 Å²	75.6	15%	0.153	38%	0.376	C	S	.	.	H	α-helix	trans	-60.1	-37.1	-179.5	-71.8	-61.5	-78.3	0	0	113.3	R90 S91 R96 R97 A98 E165 P259 H262	R90-M94 PolarHBondContact O-N 3.47Å; S91-M94 PolarHBondContact O-N 3.01Å; M94-R96 VanDerWaalsContact C-N 3.3Å; M94-R96 PolarHBondContact O-N 2.97Å; M94-R97 WeakPolarHBondContact O-CB 3.49Å; M94-R97 PolarHBondContact O-N 3.18Å; M94-R97 VanDerWaalsContact O-N 3.17Å; M94-R97 HydrophobicContact SD-CB 4.37Å; M94-A98 PolarHBondContact O-N 2.73Å; M94-E165 HydrophobicContact CE-CG 3.82Å; M94-P259 HydrophobicContact CG-CG 3.97Å; M94-P259 HydrophobicContact SD-CG 3.95Å; M94-H262 VanDerWaalsContact SD-CD2 3.6Å
95	S	93.8	Very high	92	Very high	62 Å²	62	72 Å²	72	43%	0.434	36%	0.358	S	S	.	.	H	α-helix	trans	-62.6	-33.1	172.4	-170.8	0	0	0	0	113.2	S91 K93 K99	S91-S95 WeakPolarHBondContact O-CB 3.31Å; S91-S95 PolarHBondContact O-N 3.43Å; K93-S95 VanDerWaalsContact C-N 3.32Å; K93-S95 PolarHBondContact O-N 3.48Å; S95-K99 WeakPolarHBondContact O-CD 3.38Å; S95-K99 WeakPolarHBondContact O-CE 3.4Å; S95-K99 WeakPolarHBondContact O-CG 3.21Å
96	R	95.1	Very high	93	Very high	117 Å²	117	71.2 Å²	71.2	44%	0.442	35%	0.351	S	S	.	.	H	α-helix	trans	-73.5	-44.9	169.8	-172	-177.2	-176.8	176.3	5.8	110.8	R92 K93 M94 A98 K99 V100 E253 A257	R92-R96 PolarHBondContact O-N 2.89Å; K93-R96 CarbonylContact O-C 3.53Å; K93-R96 WeakPolarHBondContact O-CA 3.45Å; K93-R96 WeakPolarHBondContact O-CB 3.5Å; K93-R96 PolarHBondContact O-N 3.11Å; M94-R96 VanDerWaalsContact C-N 3.3Å; M94-R96 PolarHBondContact O-N 2.97Å; R96-A98 VanDerWaalsContact C-N 3.32Å; R96-A98 PolarHBondContact O-N 2.97Å; R96-K99 WeakPolarHBondContact O-CB 3.48Å; R96-K99 PolarHBondContact O-N 3.33Å; R96-V100 HydrophobicContact CG-CG2 4.11Å; R96-V100 WeakPolarHBondContact O-CG2 3.42Å; R96-V100 PolarHBondContact O-N 3.04Å; R96-E253 IonicContact CZ-OE1 2.63Å; R96-E253 VanDerWaalsContact CZ-OE1 3.26Å; R96-E253 IonicContact NE-OE1 2.67Å; R96-E253 PolarHBondContact NE-OE1 3.34Å; R96-E253 VanDerWaalsContact NH2-CD 3.31Å; R96-E253 IonicContact NH2-OE1 3.59Å; R96-E253 PolarHBondContact NH2-OE1 2.67Å; R96-A257 HydrophobicContact CB-CB 4.02Å; R96-A257 HydrophobicContact CG-CB 3.78Å
97	R	96.3	Very high	93.9	Very high	4 Å²	4	67.6 Å²	67.6	2%	0.015	33%	0.329	C	S	.	.	H	α-helix	trans	-51.4	-50.2	-179.7	-166.3	-175.3	175.9	-102	-16.5	111.3	K93 M94 K99 V100 I101 P164 V167 L254 A257 T258 H262 D264	K93-R97 PolarHBondContact O-N 2.93Å; M94-R97 WeakPolarHBondContact O-CB 3.49Å; M94-R97 PolarHBondContact O-N 3.18Å; M94-R97 VanDerWaalsContact O-N 3.17Å; M94-R97 HydrophobicContact SD-CB 4.37Å; R97-K99 VanDerWaalsContact C-N 3.31Å; R97-K99 PolarHBondContact O-N 3.33Å; R97-V100 PolarHBondContact O-N 3.37Å; R97-I101 HydrophobicContact CG-CD1 4.16Å; R97-I101 WeakPolarHBondContact O-CG1 3.26Å; R97-I101 PolarHBondContact O-N 2.95Å; R97-P164 PolarHBondContact NH1-O 3.27Å; R97-V167 PolarHBondContact NH1-O 3.01Å; R97-V167 PolarHBondContact NH2-O 2.98Å; R97-L254 HydrophobicContact CG-CD1 3.65Å; R97-A257 HydrophobicContact CB-CB 4.27Å; R97-T258 WeakPolarHBondContact CD-OG1 3.35Å; R97-T258 PolarHBondContact NE-OG1 3.11Å; R97-H262 VanDerWaalsContact CZ-NE2 3.29Å; R97-H262 PolarHBondContact NH1-CE1 2.82Å; R97-H262 PolarHBondContact NH1-NE2 2.75Å; R97-D264 IonicContact CZ-OD2 3.59Å; R97-D264 IonicContact NH2-OD2 3.96Å; R97-D264 PolarHBondContact NH2-OD2 3.23Å
98	A	94.9	Very high	94.6	Very high	63 Å²	63	62.5 Å²	62.5	52%	0.521	31%	0.305	S	S	.	.	H	α-helix	trans	-59	-37.3	177.6	0	0	0	0	0	113.7	M94 R96 K102	M94-A98 PolarHBondContact O-N 2.73Å; R96-A98 VanDerWaalsContact C-N 3.32Å; R96-A98 PolarHBondContact O-N 2.97Å; A98-K102 WeakPolarHBondContact O-CB 3.5Å; A98-K102 PolarHBondContact O-N 3.26Å
99	K	96.1	Very high	94.9	Very high	138 Å²	138	63.6 Å²	63.6	60%	0.6	31%	0.309	S	S	*	.	H	α-helix	trans	-69.3	-42.8	176.7	-66.9	165.1	-173.5	161.8	0	111.6	S95 R96 R97 K102 E103	S95-K99 WeakPolarHBondContact O-CD 3.38Å; S95-K99 WeakPolarHBondContact O-CE 3.4Å; S95-K99 WeakPolarHBondContact O-CG 3.21Å; R96-K99 WeakPolarHBondContact O-CB 3.48Å; R96-K99 PolarHBondContact O-N 3.33Å; R97-K99 VanDerWaalsContact C-N 3.31Å; R97-K99 PolarHBondContact O-N 3.33Å; K99-K102 WeakPolarHBondContact O-CB 3.37Å; K99-K102 PolarHBondContact O-N 3.46Å; K99-E103 PolarHBondContact O-N 3.45Å
100	V	97.3	Very high	95.2	Very high	5 Å²	5	61.9 Å²	61.9	3%	0.03	30%	0.301	C	S	.	.	H	α-helix	trans	-68	-39.3	179.3	-178.3	0	0	0	0	111.2	R96 R97 E103 L104 E253 L254 A257	R96-V100 HydrophobicContact CG-CG2 4.11Å; R96-V100 WeakPolarHBondContact O-CG2 3.42Å; R96-V100 PolarHBondContact O-N 3.04Å; R97-V100 PolarHBondContact O-N 3.37Å; V100-E103 PolarHBondContact O-N 2.98Å; V100-L104 VanDerWaalsContact O-CB 3.26Å; V100-L104 WeakPolarHBondContact O-CB 3.39Å; V100-L104 PolarHBondContact O-N 3.07Å; V100-E253 HydrophobicContact CG1-CB 4.37Å; V100-E253 HydrophobicContact CG1-CG 4.25Å; V100-E253 HydrophobicContact CG2-CG 3.79Å; V100-L254 HydrophobicContact CB-CD1 4.25Å; V100-L254 HydrophobicContact CG1-CB 3.8Å; V100-L254 HydrophobicContact CG1-CD1 4.21Å; V100-A257 HydrophobicContact CG2-CB 4.4Å
101	I	96.9	Very high	95.4	Very high	13 Å²	13	59.9 Å²	59.9	7%	0.067	29%	0.293	C	S	.	.	H	α-helix	trans	-60.9	-45.5	171.6	-68.5	176.4	0	0	0	110.5	R97 E103 L104 V105 L159 V167 M169 L254	R97-I101 HydrophobicContact CG-CD1 4.16Å; R97-I101 WeakPolarHBondContact O-CG1 3.26Å; R97-I101 PolarHBondContact O-N 2.95Å; I101-E103 VanDerWaalsContact C-N 3.34Å; I101-E103 PolarHBondContact O-N 3.3Å; I101-L104 PolarHBondContact O-N 2.81Å; I101-V105 HydrophobicContact CG2-CG2 4.36Å; I101-V105 WeakPolarHBondContact O-CG2 3.35Å; I101-V105 PolarHBondContact O-N 2.89Å; I101-L159 HydrophobicContact CG2-CD1 3.8Å; I101-L159 HydrophobicContact CG2-CD2 3.99Å; I101-L159 HydrophobicContact CG2-CG 4.23Å; I101-V167 HydrophobicContact CD1-CG1 4.49Å; I101-M169 HydrophobicContact CD1-CG 3.98Å; I101-M169 HydrophobicContact CG1-CG 4.17Å; I101-M169 HydrophobicContact CG2-CE 4.4Å; I101-L254 HydrophobicContact CD1-CD1 4.15Å; I101-L254 HydrophobicContact CG1-CD1 3.57Å; I101-L254 HydrophobicContact CG1-CD2 4.09Å
102	K	96.3	Very high	95.7	Very high	160 Å²	160	57 Å²	57	70%	0.696	27%	0.272	S	S	*	.	H	α-helix	trans	-60.1	-41.9	177.3	-173.5	176.1	-179.6	177.5	0	112.2	A98 K99 Q106	A98-K102 WeakPolarHBondContact O-CB 3.5Å; A98-K102 PolarHBondContact O-N 3.26Å; K99-K102 WeakPolarHBondContact O-CB 3.37Å; K99-K102 PolarHBondContact O-N 3.46Å; K102-Q106 WeakPolarHBondContact O-CB 3.28Å; K102-Q106 PolarHBondContact O-N 3.42Å
103	E	97.4	Very high	95.8	Very high	103 Å²	103	52.1 Å²	52.1	48%	0.481	26%	0.257	S	S	.	.	H	α-helix	trans	-66.3	-44.8	174.3	-175.2	-179.7	159.7	0	0	112.2	K99 V100 I101 V105 Q106 T107	K99-E103 PolarHBondContact O-N 3.45Å; V100-E103 PolarHBondContact O-N 2.98Å; I101-E103 VanDerWaalsContact C-N 3.34Å; I101-E103 PolarHBondContact O-N 3.3Å; E103-V105 PolarHBondContact O-N 2.94Å; E103-Q106 PolarHBondContact O-N 3.34Å; E103-T107 HydrophobicContact CG-CG2 3.93Å; E103-T107 VanDerWaalsContact O-CB 3.29Å; E103-T107 WeakPolarHBondContact O-CB 3.42Å; E103-T107 VanDerWaalsContact O-CG2 3.24Å; E103-T107 WeakPolarHBondContact O-CG2 3.45Å; E103-T107 PolarHBondContact O-N 3.19Å; E103-T107 PolarHBondContact O-OG1 3.04Å
104	L	97.4	Very high	95.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.3	-48.1	179.5	172.1	57.4	0	0	0	111.7	V100 I101 T107 E108 M155 M169 F173 R243 L250 L254	V100-L104 VanDerWaalsContact O-CB 3.26Å; V100-L104 WeakPolarHBondContact O-CB 3.39Å; V100-L104 PolarHBondContact O-N 3.07Å; I101-L104 PolarHBondContact O-N 2.81Å; L104-T107 PolarHBondContact O-OG1 3.49Å; L104-E108 WeakPolarHBondContact O-CB 3.46Å; L104-E108 PolarHBondContact O-N 3.24Å; L104-E108 VanDerWaalsContact O-N 3.1Å; L104-M155 HydrophobicContact CD1-CE 3.86Å; L104-M155 HydrophobicContact CD2-CE 4.36Å; L104-M155 HydrophobicContact CG-CE 3.88Å; L104-M169 HydrophobicContact CD2-CE 3.79Å; L104-M169 HydrophobicContact CG-CE 4.43Å; L104-F173 HydrophobicContact CD1-CE2 4.31Å; L104-F173 HydrophobicContact CD1-CZ 4.12Å; L104-F173 HydrophobicContact CD2-CE2 4.18Å; L104-R243 PolarHBondContact O-NH2 3.2Å; L104-L250 HydrophobicContact CD1-CB 4.06Å; L104-L250 HydrophobicContact CD1-CD1 3.83Å; L104-L254 HydrophobicContact CD2-CD2 3.94Å
105	V	97.6	Very high	95.8	Very high	11 Å²	11	49.4 Å²	49.4	7%	0.067	25%	0.245	C	C	.	.	H	α-helix	trans	-70.9	-46.3	178.8	177.2	0	0	0	0	111.5	I101 E103 T107 E108 K109 L152 M155 L159 M169	I101-V105 HydrophobicContact CG2-CG2 4.36Å; I101-V105 WeakPolarHBondContact O-CG2 3.35Å; I101-V105 PolarHBondContact O-N 2.89Å; E103-V105 PolarHBondContact O-N 2.94Å; V105-T107 PolarHBondContact O-N 3.29Å; V105-E108 PolarHBondContact O-N 2.89Å; V105-K109 PolarHBondContact O-N 3.19Å; V105-L152 HydrophobicContact CG1-CD1 4.01Å; V105-M155 HydrophobicContact CG2-CB 4.06Å; V105-M155 HydrophobicContact CG2-CG 4.47Å; V105-M155 HydrophobicContact CG2-SD 4.02Å; V105-L159 HydrophobicContact CG2-CD1 4.28Å; V105-L159 HydrophobicContact CG2-CD2 4.08Å; V105-M169 HydrophobicContact CG2-CE 4.25Å
106	Q	96.3	Very high	95.8	Very high	88 Å²	88	50.8 Å²	50.8	41%	0.411	25%	0.245	S	C	.	.	H	α-helix	trans	-62.2	-43.6	179	-179.7	58.4	46.6	0	0	111.6	K102 E103 E108 K109 D110	K102-Q106 WeakPolarHBondContact O-CB 3.28Å; K102-Q106 PolarHBondContact O-N 3.42Å; E103-Q106 PolarHBondContact O-N 3.34Å; Q106-E108 VanDerWaalsContact C-N 3.31Å; Q106-E108 PolarHBondContact O-N 3.19Å; Q106-K109 PolarHBondContact O-N 3.48Å; Q106-D110 VanDerWaalsContact NE2-CG 3.33Å; Q106-D110 PolarHBondContact NE2-OD1 3.19Å; Q106-D110 PolarHBondContact NE2-OD2 3.06Å; Q106-D110 PolarHBondContact O-N 3.45Å
107	T	96.4	Very high	95.7	Very high	41 Å²	41	45.5 Å²	45.5	25%	0.252	23%	0.226	S	C	.	.	H	α-helix	trans	-75.7	-16	179	64	0	0	0	0	113.8	E103 L104 V105 Y111 R243	E103-T107 HydrophobicContact CG-CG2 3.93Å; E103-T107 VanDerWaalsContact O-CB 3.29Å; E103-T107 WeakPolarHBondContact O-CB 3.42Å; E103-T107 VanDerWaalsContact O-CG2 3.24Å; E103-T107 WeakPolarHBondContact O-CG2 3.45Å; E103-T107 PolarHBondContact O-N 3.19Å; E103-T107 PolarHBondContact O-OG1 3.04Å; L104-T107 PolarHBondContact O-OG1 3.49Å; V105-T107 PolarHBondContact O-N 3.29Å; T107-Y111 VanDerWaalsContact O-CB 3.28Å; T107-Y111 WeakPolarHBondContact O-CB 3.41Å; T107-Y111 PolarHBondContact O-N 3.47Å; T107-R243 VanDerWaalsContact C-NH1 3.27Å; T107-R243 VanDerWaalsContact CB-NH1 3.31Å; T107-R243 PolarHBondContact O-NH1 2.8Å; T107-R243 PolarHBondContact OG1-NH1 3.24Å
108	E	97.8	Very high	95.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-76.4	-45.1	165.4	-169.5	66.4	-151.1	0	0	109.9	L104 V105 Q106 Y111 L112 S148 L152 M155 R243 Y247	L104-E108 WeakPolarHBondContact O-CB 3.46Å; L104-E108 PolarHBondContact O-N 3.24Å; L104-E108 VanDerWaalsContact O-N 3.1Å; V105-E108 PolarHBondContact O-N 2.89Å; Q106-E108 VanDerWaalsContact C-N 3.31Å; Q106-E108 PolarHBondContact O-N 3.19Å; E108-Y111 PolarHBondContact O-N 3.41Å; E108-L112 WeakPolarHBondContact O-CB 3.41Å; E108-L112 PolarHBondContact O-N 2.98Å; E108-S148 WeakPolarHBondContact OE1-CB 3.31Å; E108-S148 PolarHBondContact OE1-OG 3.34Å; E108-L152 HydrophobicContact CB-CD1 4.14Å; E108-L152 HydrophobicContact CG-CB 4.05Å; E108-L152 HydrophobicContact CG-CD1 4.24Å; E108-M155 HydrophobicContact CB-SD 4.19Å; E108-M155 HydrophobicContact CG-SD 4.28Å; E108-R243 IonicContact OE2-CZ 3.26Å; E108-R243 IonicContact OE2-NE 3.25Å; E108-R243 PolarHBondContact OE2-NE 3.32Å; E108-R243 IonicContact OE2-NH2 3.04Å; E108-R243 PolarHBondContact OE2-NH2 3.42Å; E108-Y247 PolarHBondContact OE1-OH 3.33Å; E108-Y247 VanDerWaalsContact OE2-CE1 3.24Å; E108-Y247 WeakPolarHBondContact OE2-CE1 3.27Å; E108-Y247 PolarHBondContact OE2-OH 3.15Å
109	K	96.1	Very high	95.5	Very high	105 Å²	105	43.5 Å²	43.5	46%	0.457	21%	0.206	S	C	.	.	H	α-helix	trans	-58.4	-48.9	175.4	-177.6	178.1	177.3	179.2	0	112.4	V105 Q106 Y111 L112 T113 L152	V105-K109 PolarHBondContact O-N 3.19Å; Q106-K109 PolarHBondContact O-N 3.48Å; K109-Y111 VanDerWaalsContact C-N 3.3Å; K109-Y111 PolarHBondContact O-N 3.48Å; K109-L112 PolarHBondContact O-N 3.17Å; K109-T113 PolarHBondContact O-N 3.02Å; K109-T113 PolarHBondContact O-OG1 3.36Å; K109-T113 VanDerWaalsContact O-OG1 3.12Å; K109-L152 HydrophobicContact CB-CD1 4.18Å; K109-L152 HydrophobicContact CB-CD2 4.01Å; K109-L152 HydrophobicContact CG-CD2 4.3Å
110	D	93.2	Very high	95.4	Very high	46 Å²	46	43.3 Å²	43.3	25%	0.246	20%	0.202	C	C	.	.	H	α-helix	trans	-62.7	-37.8	177	-76.4	-48.4	0	0	0	112	Q106 D114 K227	Q106-D110 VanDerWaalsContact NE2-CG 3.33Å; Q106-D110 PolarHBondContact NE2-OD1 3.19Å; Q106-D110 PolarHBondContact NE2-OD2 3.06Å; Q106-D110 PolarHBondContact O-N 3.45Å; D110-D114 WeakPolarHBondContact O-CB 3.38Å; D110-D114 PolarHBondContact O-N 2.93Å; D110-K227 WeakPolarHBondContact OD1-CE 3.38Å; D110-K227 IonicContact OD1-NZ 2.78Å; D110-K227 PolarHBondContact OD1-NZ 2.81Å
111	Y	95.5	Very high	95.1	Very high	14 Å²	14	45.2 Å²	45.2	6%	0.055	21%	0.21	C	C	.	.	H	α-helix	trans	-66.3	-41.3	175.2	168	-110.5	0	0	0	112.5	T107 E108 K109 D114 L115 V144 S148 Y184 K239 P240 R243	T107-Y111 VanDerWaalsContact O-CB 3.28Å; T107-Y111 WeakPolarHBondContact O-CB 3.41Å; T107-Y111 PolarHBondContact O-N 3.47Å; E108-Y111 PolarHBondContact O-N 3.41Å; K109-Y111 VanDerWaalsContact C-N 3.3Å; K109-Y111 PolarHBondContact O-N 3.48Å; Y111-D114 WeakPolarHBondContact O-CB 3.14Å; Y111-D114 PolarHBondContact O-N 2.92Å; Y111-L115 HydrophobicContact CE1-CD1 3.86Å; Y111-L115 HydrophobicContact CE2-CD1 4.06Å; Y111-L115 HydrophobicContact CE2-CD2 4.24Å; Y111-L115 HydrophobicContact CE2-CG 4.1Å; Y111-L115 WeakPolarHBondContact O-CG 3.45Å; Y111-L115 PolarHBondContact O-N 2.99Å; Y111-L115 VanDerWaalsContact O-N 3.09Å; Y111-V144 VanDerWaalsContact OH-CG1 3.3Å; Y111-V144 WeakPolarHBondContact OH-CG1 3.37Å; Y111-S148 WeakPolarHBondContact CD1-OG 3.14Å; Y111-Y184 WeakPolarHBondContact CE1-OH 3.5Å; Y111-Y184 WeakPolarHBondContact OH-CE1 3.19Å; Y111-Y184 PolarHBondContact OH-OH 2.98Å; Y111-K239 HydrophobicContact CD2-CB 4.42Å; Y111-K239 HydrophobicContact CE2-CB 4.12Å; Y111-P240 WeakPolarHBondContact OH-CA 3.39Å; Y111-R243 HydrophobicContact CD1-CB 4.23Å; Y111-R243 HydrophobicContact CD1-CG 3.63Å; Y111-R243 HydrophobicContact CD2-CB 4.02Å; Y111-R243 HydrophobicContact CD2-CG 4.23Å; Y111-R243 HydrophobicContact CE1-CB 3.92Å; Y111-R243 HydrophobicContact CE1-CG 3.6Å; Y111-R243 HydrophobicContact CE2-CB 3.7Å; Y111-R243 HydrophobicContact CE2-CG 4.21Å; Y111-R243 HydrophobicContact CG-CB 4.26Å; Y111-R243 HydrophobicContact CG-CG 3.94Å
112	L	96.2	Very high	94.9	Very high	13 Å²	13	44.6 Å²	44.6	7%	0.068	21%	0.207	C	C	.	.	H	α-helix	trans	-62.4	-49.3	174.5	178.3	62.9	0	0	0	111	E108 K109 D114 L115 E116 C145 A149 L152	E108-L112 WeakPolarHBondContact O-CB 3.41Å; E108-L112 PolarHBondContact O-N 2.98Å; K109-L112 PolarHBondContact O-N 3.17Å; L112-D114 VanDerWaalsContact C-N 3.29Å; L112-D114 PolarHBondContact O-N 3.5Å; L112-L115 WeakPolarHBondContact O-CA 3.47Å; L112-L115 WeakPolarHBondContact O-CB 3.3Å; L112-L115 PolarHBondContact O-N 3.44Å; L112-E116 HydrophobicContact CD1-CG 4.2Å; L112-E116 HydrophobicContact CG-CG 4.31Å; L112-E116 WeakPolarHBondContact O-CG 3.48Å; L112-E116 PolarHBondContact O-N 2.82Å; L112-C145 VanDerWaalsContact CD1-SG 3.56Å; L112-A149 HydrophobicContact CD1-CB 3.94Å; L112-A149 HydrophobicContact CD2-CB 4.02Å; L112-L152 HydrophobicContact CD2-CD2 3.61Å
113	T	93.3	Very high	94.7	Very high	29 Å²	29	37 Å²	37	18%	0.178	17%	0.174	C	C	.	.	H	α-helix	trans	-57.9	-42.2	175.9	-59.6	0	0	0	0	111.3	K109 L115 E116 L117	K109-T113 PolarHBondContact O-N 3.02Å; K109-T113 PolarHBondContact O-OG1 3.36Å; K109-T113 VanDerWaalsContact O-OG1 3.12Å; T113-L115 VanDerWaalsContact C-N 3.27Å; T113-L115 PolarHBondContact O-N 3.37Å; T113-E116 PolarHBondContact O-N 3.13Å; T113-L117 HydrophobicContact CG2-CD1 3.84Å; T113-L117 HydrophobicContact CG2-CG 4.15Å; T113-L117 WeakPolarHBondContact O-CB 3.31Å; T113-L117 WeakPolarHBondContact O-CG 3.47Å; T113-L117 PolarHBondContact O-N 3.36Å
114	D	91.9	Very high	94.6	Very high	23 Å²	23	35.7 Å²	35.7	12%	0.123	17%	0.168	C	C	.	.	H	α-helix	trans	-59.3	-36.6	175.1	-73.4	-5	0	0	0	112.5	D110 Y111 L112 C118 Y222 K239	D110-D114 WeakPolarHBondContact O-CB 3.38Å; D110-D114 PolarHBondContact O-N 2.93Å; Y111-D114 WeakPolarHBondContact O-CB 3.14Å; Y111-D114 PolarHBondContact O-N 2.92Å; L112-D114 VanDerWaalsContact C-N 3.29Å; L112-D114 PolarHBondContact O-N 3.5Å; D114-C118 VanDerWaalsContact O-CB 3.22Å; D114-C118 WeakPolarHBondContact O-CB 3.33Å; D114-C118 PolarHBondContact O-N 3.45Å; D114-C118 VanDerWaalsContact O-N 3.1Å; D114-Y222 PolarHBondContact OD1-OH 2.95Å; D114-Y222 VanDerWaalsContact OD1-OH 3.08Å; D114-K239 HydrophobicContact CB-CD 3.91Å; D114-K239 IonicContact OD2-NZ 3.26Å; D114-K239 PolarHBondContact OD2-NZ 3.38Å
115	L	95.1	Very high	94.3	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-74.1	-46.4	175.8	-68.2	-179.1	0	0	0	112.6	Y111 L112 T113 L117 C118 I119 M141 V144 C145 P240	Y111-L115 HydrophobicContact CE1-CD1 3.86Å; Y111-L115 HydrophobicContact CE2-CD1 4.06Å; Y111-L115 HydrophobicContact CE2-CD2 4.24Å; Y111-L115 HydrophobicContact CE2-CG 4.1Å; Y111-L115 WeakPolarHBondContact O-CG 3.45Å; Y111-L115 PolarHBondContact O-N 2.99Å; Y111-L115 VanDerWaalsContact O-N 3.09Å; L112-L115 WeakPolarHBondContact O-CA 3.47Å; L112-L115 WeakPolarHBondContact O-CB 3.3Å; L112-L115 PolarHBondContact O-N 3.44Å; T113-L115 VanDerWaalsContact C-N 3.27Å; T113-L115 PolarHBondContact O-N 3.37Å; L115-L117 VanDerWaalsContact C-N 3.32Å; L115-L117 PolarHBondContact O-N 3.08Å; L115-C118 WeakPolarHBondContact O-CB 3.24Å; L115-C118 PolarHBondContact O-N 3.02Å; L115-C118 VanDerWaalsContact O-N 3.15Å; L115-I119 WeakPolarHBondContact O-CG1 3.39Å; L115-I119 PolarHBondContact O-N 3.17Å; L115-M141 HydrophobicContact CD2-CG 4.2Å; L115-M141 HydrophobicContact CD2-SD 4.32Å; L115-V144 HydrophobicContact CD1-CG1 3.94Å; L115-C145 HydrophobicContact CB-CB 4.25Å; L115-C145 HydrophobicContact CD1-CB 4.16Å; L115-P240 HydrophobicContact CD2-CG 4.18Å
116	E	94.9	Very high	94.1	Very high	91 Å²	91	37.3 Å²	37.3	43%	0.425	18%	0.179	S	C	.	.	H	α-helix	trans	-59.1	-44.2	178.3	-70.2	176.3	150.4	0	0	111.2	L112 T113 I119 R120	L112-E116 HydrophobicContact CD1-CG 4.2Å; L112-E116 HydrophobicContact CG-CG 4.31Å; L112-E116 WeakPolarHBondContact O-CG 3.48Å; L112-E116 PolarHBondContact O-N 2.82Å; T113-E116 PolarHBondContact O-N 3.13Å; E116-I119 PolarHBondContact O-N 3.37Å; E116-R120 WeakPolarHBondContact O-CB 3.5Å; E116-R120 PolarHBondContact O-N 3.44Å
117	L	91.9	Very high	93.9	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.037	17%	0.172	C	C	.	.	H	α-helix	trans	-66.4	-39.7	174.4	-65.2	177.7	0	0	0	111.8	T113 L115 I119 R120 E121 L218 I221 Y222	T113-L117 HydrophobicContact CG2-CD1 3.84Å; T113-L117 HydrophobicContact CG2-CG 4.15Å; T113-L117 WeakPolarHBondContact O-CB 3.31Å; T113-L117 WeakPolarHBondContact O-CG 3.47Å; T113-L117 PolarHBondContact O-N 3.36Å; L115-L117 VanDerWaalsContact C-N 3.32Å; L115-L117 PolarHBondContact O-N 3.08Å; L117-I119 PolarHBondContact O-N 3.42Å; L117-R120 PolarHBondContact O-N 3.49Å; L117-E121 VanDerWaalsContact O-CB 3.28Å; L117-E121 WeakPolarHBondContact O-CB 3.48Å; L117-E121 VanDerWaalsContact O-CG 3.31Å; L117-E121 WeakPolarHBondContact O-CG 3.26Å; L117-E121 PolarHBondContact O-N 2.83Å; L117-L218 HydrophobicContact CB-CD1 3.61Å; L117-I221 HydrophobicContact CD1-CG2 4.17Å; L117-I221 HydrophobicContact CD2-CG2 4.23Å; L117-Y222 HydrophobicContact CB-CE2 4.4Å; L117-Y222 HydrophobicContact CD1-CD2 4.11Å; L117-Y222 HydrophobicContact CD1-CE2 3.63Å
118	C	92.7	Very high	93.7	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.014	20%	0.196	C	C	.	.	H	α-helix	trans	-60.7	-44.3	174.1	-175.6	0	0	0	0	111.7	D114 L115 V122 V123 M141 L236	D114-C118 VanDerWaalsContact O-CB 3.22Å; D114-C118 WeakPolarHBondContact O-CB 3.33Å; D114-C118 PolarHBondContact O-N 3.45Å; D114-C118 VanDerWaalsContact O-N 3.1Å; L115-C118 WeakPolarHBondContact O-CB 3.24Å; L115-C118 PolarHBondContact O-N 3.02Å; L115-C118 VanDerWaalsContact O-N 3.15Å; C118-V122 WeakPolarHBondContact O-CA 3.45Å; C118-V122 VanDerWaalsContact O-CB 3.23Å; C118-V122 WeakPolarHBondContact O-CB 3.38Å; C118-V122 PolarHBondContact O-N 2.83Å; C118-V122 VanDerWaalsContact O-N 3.07Å; C118-V123 PolarHBondContact O-N 2.87Å; C118-M141 HydrophobicContact CB-SD 4.33Å; C118-L236 HydrophobicContact CB-CD2 4.1Å
119	I	94.4	Very high	93.3	Very high	23 Å²	23	44.3 Å²	44.3	12%	0.118	22%	0.216	C	C	.	.	I	π-helix	trans	-64.1	-50.6	178	-68.2	160.2	0	0	0	110.2	L115 E116 L117 V123 Q124 M141 E142 C145	L115-I119 WeakPolarHBondContact O-CG1 3.39Å; L115-I119 PolarHBondContact O-N 3.17Å; E116-I119 PolarHBondContact O-N 3.37Å; L117-I119 PolarHBondContact O-N 3.42Å; I119-V123 HydrophobicContact CG1-CG2 4.35Å; I119-V123 WeakPolarHBondContact O-CB 3.25Å; I119-V123 PolarHBondContact O-N 2.99Å; I119-Q124 HydrophobicContact CG2-CG 4.5Å; I119-Q124 WeakPolarHBondContact O-CG 3.43Å; I119-Q124 PolarHBondContact O-N 3.09Å; I119-M141 HydrophobicContact CG1-CG 4.37Å; I119-E142 HydrophobicContact CD1-CG 3.91Å; I119-E142 HydrophobicContact CG1-CG 4.04Å; I119-E142 HydrophobicContact CG2-CG 4.11Å; I119-C145 HydrophobicContact CD1-CB 3.68Å
120	R	93.7	Very high	92.8	Very high	134 Å²	134	47.5 Å²	47.5	51%	0.506	23%	0.233	S	C	.	.	I	π-helix	trans	-70.2	-42.7	-174.3	-164.9	179.5	71.4	-135.8	-0.5	113.7	E116 L117 P125	E116-R120 WeakPolarHBondContact O-CB 3.5Å; E116-R120 PolarHBondContact O-N 3.44Å; L117-R120 PolarHBondContact O-N 3.49Å; R120-P125 WeakPolarHBondContact O-CD 3.32Å
121	E	91.9	Very high	92.4	Very high	44 Å²	44	47.5 Å²	47.5	21%	0.206	23%	0.234	C	C	.	.	I	π-helix	trans	-97.6	-11.9	-171.3	-49.7	-62.3	156.1	0	0	113.6	L117 L218 I221	L117-E121 VanDerWaalsContact O-CB 3.28Å; L117-E121 WeakPolarHBondContact O-CB 3.48Å; L117-E121 VanDerWaalsContact O-CG 3.31Å; L117-E121 WeakPolarHBondContact O-CG 3.26Å; L117-E121 PolarHBondContact O-N 2.83Å; E121-L218 HydrophobicContact CB-CB 4.4Å; E121-L218 HydrophobicContact CB-CD1 4.19Å; E121-L218 HydrophobicContact CG-CD1 4.13Å; E121-I221 HydrophobicContact CG-CD1 3.74Å
122	V	92	Very high	92.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.236	C	C	.	.	I	π-helix	trans	-128.1	-52.8	-177.5	-163.2	0	0	0	0	112.4	C118 L126 F138 C214 L218 M233 L236	C118-V122 WeakPolarHBondContact O-CA 3.45Å; C118-V122 VanDerWaalsContact O-CB 3.23Å; C118-V122 WeakPolarHBondContact O-CB 3.38Å; C118-V122 PolarHBondContact O-N 2.83Å; C118-V122 VanDerWaalsContact O-N 3.07Å; V122-L126 HydrophobicContact CG1-CD1 3.9Å; V122-L126 WeakPolarHBondContact O-CB 3.31Å; V122-L126 WeakPolarHBondContact O-CD1 3.23Å; V122-L126 VanDerWaalsContact O-CG 3.23Å; V122-L126 WeakPolarHBondContact O-CG 3.41Å; V122-L126 PolarHBondContact O-N 2.84Å; V122-F138 HydrophobicContact CG1-CE1 4.41Å; V122-F138 HydrophobicContact CG1-CZ 3.83Å; V122-C214 HydrophobicContact CB-CB 4.32Å; V122-C214 HydrophobicContact CG1-CB 3.9Å; V122-C214 HydrophobicContact CG2-CB 4.2Å; V122-L218 HydrophobicContact CG2-CD2 3.81Å; V122-M233 HydrophobicContact CG1-CE 3.86Å; V122-M233 HydrophobicContact CG1-SD 3.82Å; V122-L236 HydrophobicContact CG2-CD1 4.16Å
123	V	93.4	Very high	92	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.012	25%	0.25	C	S	.	.	I	π-helix	trans	-66.5	-54.5	-176.3	-176.7	0	0	0	0	111.4	C118 I119 L126 R127 V134 F138	C118-V123 PolarHBondContact O-N 2.87Å; I119-V123 HydrophobicContact CG1-CG2 4.35Å; I119-V123 WeakPolarHBondContact O-CB 3.25Å; I119-V123 PolarHBondContact O-N 2.99Å; V123-L126 PolarHBondContact O-N 3.23Å; V123-R127 VanDerWaalsContact O-CB 3.32Å; V123-R127 WeakPolarHBondContact O-CB 3.36Å; V123-R127 PolarHBondContact O-N 3.01Å; V123-V134 HydrophobicContact CG1-CG1 3.59Å; V123-F138 HydrophobicContact CG1-CD2 4.47Å; V123-F138 HydrophobicContact CG2-CB 4.34Å; V123-F138 HydrophobicContact CG2-CD1 3.57Å; V123-F138 HydrophobicContact CG2-CD2 4Å; V123-F138 HydrophobicContact CG2-CE1 3.76Å; V123-F138 HydrophobicContact CG2-CE2 4.17Å; V123-F138 HydrophobicContact CG2-CG 3.69Å; V123-F138 HydrophobicContact CG2-CZ 4.05Å
124	Q	93.9	Very high	91.9	Very high	75 Å²	75	49.2 Å²	49.2	35%	0.35	24%	0.244	S	C	.	.	H	α-helix	trans	-64.9	-42.4	-177.3	-52.5	-54.7	-9.9	0	0	113.2	I119 L126 R127 V128 E142	I119-Q124 HydrophobicContact CG2-CG 4.5Å; I119-Q124 WeakPolarHBondContact O-CG 3.43Å; I119-Q124 PolarHBondContact O-N 3.09Å; Q124-L126 PolarHBondContact O-N 3.45Å; Q124-R127 PolarHBondContact O-N 3.28Å; Q124-V128 WeakPolarHBondContact O-CG2 3.26Å; Q124-V128 PolarHBondContact O-N 2.97Å; Q124-E142 PolarHBondContact NE2-OE1 3.46Å
125	P	92.8	Very high	91.9	Very high	45 Å²	45	52.8 Å²	52.8	29%	0.292	26%	0.263	S	S	.	.	H	α-helix	trans	-60.1	-42.4	175.1	-28.3	38.1	0	0	0	113.5	R120 R127 V128 L129	R120-P125 WeakPolarHBondContact O-CD 3.32Å; P125-R127 VanDerWaalsContact C-N 3.33Å; P125-R127 PolarHBondContact O-N 3Å; P125-V128 PolarHBondContact O-N 3.07Å; P125-L129 WeakPolarHBondContact O-CB 3.47Å; P125-L129 VanDerWaalsContact O-CG 3.28Å; P125-L129 WeakPolarHBondContact O-CG 3.43Å; P125-L129 PolarHBondContact O-N 3.45Å
126	L	91.9	Very high	91.7	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-67.2	-34.2	175.7	-68.3	171.9	0	0	0	112.2	V122 V123 Q124 L129 Q130 V131 V132 V134 F138 H210 F211 M233	V122-L126 HydrophobicContact CG1-CD1 3.9Å; V122-L126 WeakPolarHBondContact O-CB 3.31Å; V122-L126 WeakPolarHBondContact O-CD1 3.23Å; V122-L126 VanDerWaalsContact O-CG 3.23Å; V122-L126 WeakPolarHBondContact O-CG 3.41Å; V122-L126 PolarHBondContact O-N 2.84Å; V123-L126 PolarHBondContact O-N 3.23Å; Q124-L126 PolarHBondContact O-N 3.45Å; L126-L129 PolarHBondContact O-N 3.07Å; L126-Q130 PolarHBondContact O-N 3.35Å; L126-V131 HydrophobicContact CD2-CG2 4.1Å; L126-V132 HydrophobicContact CB-CG2 4.12Å; L126-V132 HydrophobicContact CD1-CG2 4.42Å; L126-V132 HydrophobicContact CD2-CG2 4.45Å; L126-V134 HydrophobicContact CB-CG2 3.96Å; L126-F138 HydrophobicContact CD1-CE2 3.95Å; L126-F138 HydrophobicContact CD1-CZ 4.11Å; L126-H210 HydrophobicContact CD2-CB 4.29Å; L126-F211 HydrophobicContact CD1-CD1 3.91Å; L126-F211 HydrophobicContact CD1-CE1 3.82Å; L126-F211 HydrophobicContact CD2-CD1 3.98Å; L126-F211 HydrophobicContact CD2-CE1 4.09Å; L126-M233 HydrophobicContact CD1-CE 4.23Å
127	R	92.7	Very high	91.6	Very high	70 Å²	70	54.9 Å²	54.9	26%	0.264	27%	0.267	S	S	.	.	H	α-helix	trans	-69.1	-35.5	176.6	-169.3	178.8	-82.5	149	-13.9	112.3	V123 Q124 P125 Q130 V134 D135 E142	V123-R127 VanDerWaalsContact O-CB 3.32Å; V123-R127 WeakPolarHBondContact O-CB 3.36Å; V123-R127 PolarHBondContact O-N 3.01Å; Q124-R127 PolarHBondContact O-N 3.28Å; P125-R127 VanDerWaalsContact C-N 3.33Å; P125-R127 PolarHBondContact O-N 3Å; R127-Q130 WeakPolarHBondContact O-CG 3.41Å; R127-V134 HydrophobicContact CB-CG1 4.34Å; R127-V134 HydrophobicContact CB-CG2 4.16Å; R127-D135 IonicContact CZ-OD1 2.58Å; R127-D135 IonicContact NE-OD1 3.95Å; R127-D135 IonicContact NH2-OD1 3.16Å; R127-D135 PolarHBondContact NH2-OD1 3.34Å; R127-E142 IonicContact CZ-OE1 2.66Å; R127-E142 IonicContact CZ-OE2 3.85Å; R127-E142 IonicContact NH1-OE1 2.74Å; R127-E142 PolarHBondContact NH1-OE1 3.24Å; R127-E142 IonicContact NH1-OE2 2.72Å; R127-E142 PolarHBondContact NH1-OE2 3.09Å; R127-E142 IonicContact NH2-OE1 3.41Å; R127-E142 IonicContact NH2-OE2 3.86Å; R127-E142 PolarHBondContact NH2-OE2 3.47Å
128	V	92.4	Very high	91.8	Very high	123 Å²	123	54.7 Å²	54.7	75%	0.745	27%	0.266	S	S	*	.	H	α-helix	trans	-69.8	-39.7	171.7	171.1	0	0	0	0	111.5	Q124 P125 Q130	Q124-V128 WeakPolarHBondContact O-CG2 3.26Å; Q124-V128 PolarHBondContact O-N 2.97Å; P125-V128 PolarHBondContact O-N 3.07Å; V128-Q130 VanDerWaalsContact C-N 3.34Å
129	L	88.6	Confident	91.9	Very high	83 Å²	83	55.7 Å²	55.7	44%	0.435	27%	0.272	S	S	.	.	H	α-helix	trans	-72.4	-23.9	178.7	-72.4	169.7	0	0	0	113.8	P125 L126 V131	P125-L129 WeakPolarHBondContact O-CB 3.47Å; P125-L129 VanDerWaalsContact O-CG 3.28Å; P125-L129 WeakPolarHBondContact O-CG 3.43Å; P125-L129 PolarHBondContact O-N 3.45Å; L126-L129 PolarHBondContact O-N 3.07Å; L129-V131 HydrophobicContact CB-CG1 4.18Å; L129-V131 HydrophobicContact CB-CG2 3.98Å; L129-V131 PolarHBondContact O-N 3.34Å
130	Q	87.3	Confident	92	Very high	171 Å²	171	55.8 Å²	55.8	80%	0.799	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	18.6	-177.3	-59	-171.5	-2.8	0	0	115.2	L126 R127 V128 V132	L126-Q130 PolarHBondContact O-N 3.35Å; R127-Q130 WeakPolarHBondContact O-CG 3.41Å; V128-Q130 VanDerWaalsContact C-N 3.34Å; Q130-V132 VanDerWaalsContact C-N 3.27Å; Q130-V132 PolarHBondContact O-N 3.4Å
131	V	84.6	Confident	92.1	Very high	47 Å²	47	49.5 Å²	49.5	29%	0.285	25%	0.249	S	C	.	.			trans	-74.3	-12.2	-179.8	-69.1	0	0	0	0	114.1	L126 L129	L126-V131 HydrophobicContact CD2-CG2 4.1Å; L129-V131 HydrophobicContact CB-CG1 4.18Å; L129-V131 HydrophobicContact CB-CG2 3.98Å; L129-V131 PolarHBondContact O-N 3.34Å
132	V	90.1	Very high	92.3	Very high	15 Å²	15	50.2 Å²	50.2	9%	0.091	25%	0.253	C	S	.	.	S	Bend	trans	-144	157.1	-179.4	-66.8	0	0	0	0	111.6	L126 Q130 V134 L137 Y201 I207 F211	L126-V132 HydrophobicContact CB-CG2 4.12Å; L126-V132 HydrophobicContact CD1-CG2 4.42Å; L126-V132 HydrophobicContact CD2-CG2 4.45Å; Q130-V132 VanDerWaalsContact C-N 3.27Å; Q130-V132 PolarHBondContact O-N 3.4Å; V132-V134 VanDerWaalsContact C-N 3.27Å; V132-V134 HydrophobicContact CG2-CG2 3.8Å; V132-V134 PolarHBondContact O-N 3.02Å; V132-L137 HydrophobicContact CG2-CD2 4.28Å; V132-Y201 HydrophobicContact CB-CD2 4.21Å; V132-Y201 HydrophobicContact CB-CE1 4.36Å; V132-Y201 HydrophobicContact CB-CE2 3.77Å; V132-Y201 HydrophobicContact CG1-CD1 3.9Å; V132-Y201 HydrophobicContact CG1-CD2 3.7Å; V132-Y201 HydrophobicContact CG1-CE1 3.93Å; V132-Y201 HydrophobicContact CG1-CE2 3.73Å; V132-Y201 HydrophobicContact CG1-CG 3.78Å; V132-I207 HydrophobicContact CG1-CD1 4.43Å; V132-I207 HydrophobicContact CG1-CG2 3.41Å; V132-I207 VanDerWaalsContact CG1-CG2 3.41Å; V132-F211 HydrophobicContact CG1-CE1 4.06Å; V132-F211 HydrophobicContact CG1-CZ 3.95Å; V132-F211 HydrophobicContact CG2-CE1 4.48Å
133	D	91.6	Very high	92.6	Very high	68 Å²	68	52.7 Å²	52.7	36%	0.364	27%	0.267	S	S	.	.			trans	-72.2	83	166.9	-175.3	-10.7	0	0	0	108.8	R136 L137 Y201	D133-R136 HydrophobicContact CB-CB 4.11Å; D133-R136 PolarHBondContact O-N 2.87Å; D133-R136 WeakPolarHBondContact OD1-CB 3.33Å; D133-R136 PolarHBondContact OD1-N 3.37Å; D133-R136 VanDerWaalsContact OD2-CB 3.25Å; D133-R136 WeakPolarHBondContact OD2-CB 3.31Å; D133-R136 WeakPolarHBondContact OD2-CD 3.2Å; D133-R136 IonicContact OD2-NH1 2.76Å; D133-L137 VanDerWaalsContact O-CB 3.29Å; D133-L137 WeakPolarHBondContact O-CB 3.49Å; D133-L137 PolarHBondContact O-N 3.38Å; D133-Y201 WeakPolarHBondContact CB-OH 3.45Å; D133-Y201 PolarHBondContact N-OH 3.02Å
134	V	92.7	Very high	92.8	Very high	8 Å²	8	52.6 Å²	52.6	5%	0.048	27%	0.267	C	S	.	.	H	α-helix	trans	-59.7	-47.5	-174	173.5	0	0	0	0	111.2	V123 L126 R127 V132 R136 L137 F138	V123-V134 HydrophobicContact CG1-CG1 3.59Å; L126-V134 HydrophobicContact CB-CG2 3.96Å; R127-V134 HydrophobicContact CB-CG1 4.34Å; R127-V134 HydrophobicContact CB-CG2 4.16Å; V132-V134 VanDerWaalsContact C-N 3.27Å; V132-V134 HydrophobicContact CG2-CG2 3.8Å; V132-V134 PolarHBondContact O-N 3.02Å; V134-R136 VanDerWaalsContact C-N 3.26Å; V134-R136 PolarHBondContact O-N 3.19Å; V134-L137 PolarHBondContact O-N 3.25Å; V134-F138 HydrophobicContact CG1-CD2 3.86Å; V134-F138 HydrophobicContact CG1-CE2 4.42Å; V134-F138 WeakPolarHBondContact O-CD2 3.4Å; V134-F138 PolarHBondContact O-N 3.14Å
135	D	90.4	Very high	93	Very high	98 Å²	98	49.6 Å²	49.6	52%	0.524	25%	0.254	S	S	.	.	H	α-helix	trans	-71.2	-24.5	-173.4	-53.7	-36.6	0	0	0	111.4	R127 T139	R127-D135 IonicContact CZ-OD1 2.58Å; R127-D135 IonicContact NE-OD1 3.95Å; R127-D135 IonicContact NH2-OD1 3.16Å; R127-D135 PolarHBondContact NH2-OD1 3.34Å; D135-T139 WeakPolarHBondContact O-CA 2.78Å; D135-T139 PolarHBondContact O-N 3.23Å
136	R	91.4	Very high	93.3	Very high	137 Å²	137	53.5 Å²	53.5	52%	0.517	27%	0.269	S	S	.	.	H	α-helix	trans	-78.5	-34.4	166.9	-179.8	-179	173	162.8	-1	113.9	D133 V134 S197	D133-R136 HydrophobicContact CB-CB 4.11Å; D133-R136 PolarHBondContact O-N 2.87Å; D133-R136 WeakPolarHBondContact OD1-CB 3.33Å; D133-R136 PolarHBondContact OD1-N 3.37Å; D133-R136 VanDerWaalsContact OD2-CB 3.25Å; D133-R136 WeakPolarHBondContact OD2-CB 3.31Å; D133-R136 WeakPolarHBondContact OD2-CD 3.2Å; D133-R136 IonicContact OD2-NH1 2.76Å; V134-R136 VanDerWaalsContact C-N 3.26Å; V134-R136 PolarHBondContact O-N 3.19Å; R136-S197 PolarHBondContact NE-OG 2.81Å
137	L	94.1	Very high	93.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-75.4	-40.4	-177.6	179.6	59.7	0	0	0	112.1	V132 D133 V134 A194 L198 Y201 F211 L237	V132-L137 HydrophobicContact CG2-CD2 4.28Å; D133-L137 VanDerWaalsContact O-CB 3.29Å; D133-L137 WeakPolarHBondContact O-CB 3.49Å; D133-L137 PolarHBondContact O-N 3.38Å; V134-L137 PolarHBondContact O-N 3.25Å; L137-A194 VanDerWaalsContact O-CB 3.29Å; L137-A194 WeakPolarHBondContact O-CB 3.37Å; L137-L198 HydrophobicContact CD1-CB 3.86Å; L137-L198 HydrophobicContact CD1-CD1 4.48Å; L137-Y201 HydrophobicContact CD2-CD2 4.49Å; L137-F211 HydrophobicContact CD2-CE1 4.03Å; L137-F211 HydrophobicContact CD2-CZ 3.89Å; L137-L237 HydrophobicContact CD1-CD1 4.02Å; L137-L237 WeakPolarHBondContact O-CD2 3.49Å
138	F	94.8	Very high	93.8	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.018	26%	0.262	C	S	.	.	H	α-helix	trans	-98.6	-14.1	178.4	-66.4	-85.5	0	0	0	112.9	V122 V123 L126 V134 M141 Y187 M233 L237	V122-F138 HydrophobicContact CG1-CE1 4.41Å; V122-F138 HydrophobicContact CG1-CZ 3.83Å; V123-F138 HydrophobicContact CG1-CD2 4.47Å; V123-F138 HydrophobicContact CG2-CB 4.34Å; V123-F138 HydrophobicContact CG2-CD1 3.57Å; V123-F138 HydrophobicContact CG2-CD2 4Å; V123-F138 HydrophobicContact CG2-CE1 3.76Å; V123-F138 HydrophobicContact CG2-CE2 4.17Å; V123-F138 HydrophobicContact CG2-CG 3.69Å; V123-F138 HydrophobicContact CG2-CZ 4.05Å; L126-F138 HydrophobicContact CD1-CE2 3.95Å; L126-F138 HydrophobicContact CD1-CZ 4.11Å; V134-F138 HydrophobicContact CG1-CD2 3.86Å; V134-F138 HydrophobicContact CG1-CE2 4.42Å; V134-F138 WeakPolarHBondContact O-CD2 3.4Å; V134-F138 PolarHBondContact O-N 3.14Å; F138-M141 HydrophobicContact CB-CB 4.22Å; F138-M141 HydrophobicContact CD1-CE 4.11Å; F138-M141 HydrophobicContact CD1-SD 3.94Å; F138-M141 WeakPolarHBondContact O-CB 3.36Å; F138-M141 PolarHBondContact O-N 3.38Å; F138-Y187 WeakPolarHBondContact O-CE2 3.42Å; F138-M233 HydrophobicContact CZ-CE 3.87Å; F138-L237 HydrophobicContact CD1-CD2 3.54Å; F138-L237 HydrophobicContact CE1-CD2 3.85Å; F138-L237 HydrophobicContact CG-CD2 4.25Å
139	T	94.5	Very high	94.1	Very high	22 Å²	22	47 Å²	47	14%	0.135	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	-143.1	-179	77.7	0	0	0	0	109.7	D135 M141 Y187 H190 A194	D135-T139 WeakPolarHBondContact O-CA 2.78Å; D135-T139 PolarHBondContact O-N 3.23Å; T139-M141 PolarHBondContact O-N 3.44Å; T139-M141 VanDerWaalsContact O-N 3.09Å; T139-Y187 WeakPolarHBondContact OG1-CD2 3.34Å; T139-Y187 VanDerWaalsContact OG1-CE2 3.24Å; T139-Y187 WeakPolarHBondContact OG1-CE2 3.18Å; T139-H190 HydrophobicContact CG2-CB 3.46Å; T139-H190 VanDerWaalsContact CG2-CB 3.46Å; T139-A194 HydrophobicContact CG2-CB 4.07Å
140	N	96.4	Very high	94.6	Very high	26 Å²	26	45.2 Å²	45.2	14%	0.139	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	42.4	178	68	-68.2	0	0	0	113.4	E142 T143 V144 V183 I186 Y187	N140-E142 VanDerWaalsContact C-N 3.26Å; N140-E142 PolarHBondContact O-N 2.68Å; N140-T143 PolarHBondContact ND2-OG1 2.9Å; N140-T143 PolarHBondContact O-N 3.31Å; N140-T143 PolarHBondContact O-OG1 2.78Å; N140-V144 WeakPolarHBondContact O-CG2 3.37Å; N140-V144 PolarHBondContact O-N 3.08Å; N140-V183 WeakPolarHBondContact ND2-CG1 3.42Å; N140-V183 PolarHBondContact ND2-O 3.5Å; N140-I186 HydrophobicContact CB-CG2 4.42Å; N140-I186 VanDerWaalsContact OD1-CG2 3.3Å; N140-I186 WeakPolarHBondContact OD1-CG2 3.44Å; N140-Y187 WeakPolarHBondContact OD1-CA 3.47Å; N140-Y187 WeakPolarHBondContact OD1-CB 3.46Å; N140-Y187 PolarHBondContact OD1-N 3.17Å
141	M	95.8	Very high	95.1	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-58.6	-35.9	-179.1	-175.7	167.8	-74.6	0	0	113	L115 C118 I119 F138 T139 V144 C145 Y187 L237	L115-M141 HydrophobicContact CD2-CG 4.2Å; L115-M141 HydrophobicContact CD2-SD 4.32Å; C118-M141 HydrophobicContact CB-SD 4.33Å; I119-M141 HydrophobicContact CG1-CG 4.37Å; F138-M141 HydrophobicContact CB-CB 4.22Å; F138-M141 HydrophobicContact CD1-CE 4.11Å; F138-M141 HydrophobicContact CD1-SD 3.94Å; F138-M141 WeakPolarHBondContact O-CB 3.36Å; F138-M141 PolarHBondContact O-N 3.38Å; T139-M141 PolarHBondContact O-N 3.44Å; T139-M141 VanDerWaalsContact O-N 3.09Å; M141-V144 WeakPolarHBondContact O-CB 3.41Å; M141-V144 PolarHBondContact O-N 3.33Å; M141-C145 PolarHBondContact O-N 2.9Å; M141-Y187 HydrophobicContact CB-CE2 4.09Å; M141-Y187 HydrophobicContact CE-CE2 4.08Å; M141-Y187 VanDerWaalsContact CE-OH 3.23Å; M141-Y187 WeakPolarHBondContact CE-OH 3.49Å; M141-L237 HydrophobicContact CE-CD2 4.09Å
142	E	96.7	Very high	95.7	Very high	60 Å²	60	35.6 Å²	35.6	28%	0.28	19%	0.19	S	C	.	.	H	α-helix	trans	-64.4	-42.4	179.3	-71.9	165.2	134	0	0	111.1	I119 Q124 R127 N140 C145 E146	I119-E142 HydrophobicContact CD1-CG 3.91Å; I119-E142 HydrophobicContact CG1-CG 4.04Å; I119-E142 HydrophobicContact CG2-CG 4.11Å; Q124-E142 PolarHBondContact NE2-OE1 3.46Å; R127-E142 IonicContact CZ-OE1 2.66Å; R127-E142 IonicContact CZ-OE2 3.85Å; R127-E142 IonicContact NH1-OE1 2.74Å; R127-E142 PolarHBondContact NH1-OE1 3.24Å; R127-E142 IonicContact NH1-OE2 2.72Å; R127-E142 PolarHBondContact NH1-OE2 3.09Å; R127-E142 IonicContact NH2-OE1 3.41Å; R127-E142 IonicContact NH2-OE2 3.86Å; R127-E142 PolarHBondContact NH2-OE2 3.47Å; N140-E142 VanDerWaalsContact C-N 3.26Å; N140-E142 PolarHBondContact O-N 2.68Å; E142-C145 WeakPolarHBondContact O-CB 3.26Å; E142-C145 PolarHBondContact O-N 3.05Å; E142-E146 WeakPolarHBondContact O-CG 3.34Å; E142-E146 PolarHBondContact O-N 3.05Å; E142-E146 VanDerWaalsContact O-N 3.1Å
143	T	98	Very high	96.1	Very high	51 Å²	51	41.2 Å²	41.2	31%	0.313	22%	0.215	S	C	.	.	H	α-helix	trans	-76.1	-25.4	175.7	68.7	0	0	0	0	113.7	N140 C145 E146 V147	N140-T143 PolarHBondContact ND2-OG1 2.9Å; N140-T143 PolarHBondContact O-N 3.31Å; N140-T143 PolarHBondContact O-OG1 2.78Å; T143-C145 VanDerWaalsContact C-N 3.27Å; T143-C145 PolarHBondContact O-N 3.48Å; T143-E146 WeakPolarHBondContact CA-OE2 2.81Å; T143-E146 PolarHBondContact O-N 2.88Å; T143-V147 WeakPolarHBondContact O-CG2 3.46Å; T143-V147 PolarHBondContact O-N 2.67Å; T143-V147 VanDerWaalsContact O-N 3.1Å
144	V	98.3	Very high	96.3	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.7	-38.8	166.9	168.3	0	0	0	0	110.8	Y111 L115 N140 M141 S148 V183 Y184 Y187 P240	Y111-V144 VanDerWaalsContact OH-CG1 3.3Å; Y111-V144 WeakPolarHBondContact OH-CG1 3.37Å; L115-V144 HydrophobicContact CD1-CG1 3.94Å; N140-V144 WeakPolarHBondContact O-CG2 3.37Å; N140-V144 PolarHBondContact O-N 3.08Å; M141-V144 WeakPolarHBondContact O-CB 3.41Å; M141-V144 PolarHBondContact O-N 3.33Å; V144-S148 PolarHBondContact O-N 3.28Å; V144-S148 VanDerWaalsContact O-N 3.13Å; V144-V183 HydrophobicContact CB-CG1 4.37Å; V144-V183 HydrophobicContact CG2-CG1 3.74Å; V144-Y184 HydrophobicContact CG1-CE1 3.99Å; V144-Y184 HydrophobicContact CG1-CE2 4.32Å; V144-Y187 HydrophobicContact CG2-CD2 3.81Å; V144-Y187 HydrophobicContact CG2-CG 4.13Å; V144-P240 HydrophobicContact CG1-CB 3.95Å; V144-P240 HydrophobicContact CG1-CG 3.98Å
145	C	98.2	Very high	96.6	Very high	13 Å²	13	42.7 Å²	42.7	9%	0.088	22%	0.215	C	C	.	.	H	α-helix	trans	-64.9	-47.5	175.7	-160.9	0	0	0	0	111.3	L112 L115 I119 M141 E142 T143 V147 S148 A149	L112-C145 VanDerWaalsContact CD1-SG 3.56Å; L115-C145 HydrophobicContact CB-CB 4.25Å; L115-C145 HydrophobicContact CD1-CB 4.16Å; I119-C145 HydrophobicContact CD1-CB 3.68Å; M141-C145 PolarHBondContact O-N 2.9Å; E142-C145 WeakPolarHBondContact O-CB 3.26Å; E142-C145 PolarHBondContact O-N 3.05Å; T143-C145 VanDerWaalsContact C-N 3.27Å; T143-C145 PolarHBondContact O-N 3.48Å; C145-V147 VanDerWaalsContact C-N 3.34Å; C145-V147 PolarHBondContact O-N 3.29Å; C145-S148 WeakPolarHBondContact O-CB 3.35Å; C145-S148 PolarHBondContact O-N 2.91Å; C145-S148 VanDerWaalsContact O-N 3.11Å; C145-A149 PolarHBondContact O-N 3.05Å
146	E	98.3	Very high	96.9	Very high	127 Å²	127	42 Å²	42	59%	0.593	21%	0.208	S	C	*	.	H	α-helix	trans	-55.1	-44.2	175.7	-67.6	166.4	175.6	0	0	112.8	E142 T143 A149 A150	E142-E146 WeakPolarHBondContact O-CG 3.34Å; E142-E146 PolarHBondContact O-N 3.05Å; E142-E146 VanDerWaalsContact O-N 3.1Å; T143-E146 WeakPolarHBondContact CA-OE2 2.81Å; T143-E146 PolarHBondContact O-N 2.88Å; E146-A149 PolarHBondContact O-N 2.9Å; E146-A150 WeakPolarHBondContact O-CB 3.31Å; E146-A150 PolarHBondContact O-N 3.44Å
147	V	98.2	Very high	97.1	Very high	19 Å²	19	39.4 Å²	39.4	12%	0.115	21%	0.208	C	C	.	.	H	α-helix	trans	-67.1	-37.4	177.3	172.9	0	0	0	0	112	T143 C145 A150 L151 A179 L180 V183 Y184	T143-V147 WeakPolarHBondContact O-CG2 3.46Å; T143-V147 PolarHBondContact O-N 2.67Å; T143-V147 VanDerWaalsContact O-N 3.1Å; C145-V147 VanDerWaalsContact C-N 3.34Å; C145-V147 PolarHBondContact O-N 3.29Å; V147-A150 PolarHBondContact O-N 3.43Å; V147-L151 WeakPolarHBondContact O-CB 3.37Å; V147-L151 PolarHBondContact O-N 3.18Å; V147-A179 HydrophobicContact CG1-CB 4.39Å; V147-A179 HydrophobicContact CG2-CB 4.26Å; V147-L180 HydrophobicContact CG1-CD2 3.8Å; V147-L180 HydrophobicContact CG1-CG 4.25Å; V147-V183 HydrophobicContact CG2-CB 4.06Å; V147-V183 HydrophobicContact CG2-CG1 4.11Å; V147-V183 HydrophobicContact CG2-CG2 3.77Å; V147-Y184 HydrophobicContact CG1-CE2 4.39Å
148	S	97.9	Very high	97	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.4	-43.4	175	-177	0	0	0	0	111.8	E108 Y111 V144 C145 A150 L151 L152	E108-S148 WeakPolarHBondContact OE1-CB 3.31Å; E108-S148 PolarHBondContact OE1-OG 3.34Å; Y111-S148 WeakPolarHBondContact CD1-OG 3.14Å; V144-S148 PolarHBondContact O-N 3.28Å; V144-S148 VanDerWaalsContact O-N 3.13Å; C145-S148 WeakPolarHBondContact O-CB 3.35Å; C145-S148 PolarHBondContact O-N 2.91Å; C145-S148 VanDerWaalsContact O-N 3.11Å; S148-A150 PolarHBondContact O-N 2.94Å; S148-L151 PolarHBondContact O-N 3.19Å; S148-L152 WeakPolarHBondContact O-CB 3.38Å; S148-L152 PolarHBondContact O-N 2.88Å
149	A	98.3	Very high	97	Very high	38 Å²	38	43.4 Å²	43.4	31%	0.314	23%	0.232	S	C	.	.	H	α-helix	trans	-61.3	-44.6	174.2	0	0	0	0	0	112	L112 C145 E146 L151 L152 H153	L112-A149 HydrophobicContact CD1-CB 3.94Å; L112-A149 HydrophobicContact CD2-CB 4.02Å; C145-A149 PolarHBondContact O-N 3.05Å; E146-A149 PolarHBondContact O-N 2.9Å; A149-L151 VanDerWaalsContact C-N 3.33Å; A149-L151 PolarHBondContact O-N 3.14Å; A149-L152 PolarHBondContact O-N 3.06Å; A149-H153 WeakPolarHBondContact O-CB 3.43Å; A149-H153 PolarHBondContact O-N 3.4Å
150	A	98.1	Very high	96.8	Very high	44 Å²	44	46.9 Å²	46.9	36%	0.364	26%	0.257	S	S	.	.	H	α-helix	trans	-65.9	-33	176.8	0	0	0	0	0	113	E146 V147 S148 R154	E146-A150 WeakPolarHBondContact O-CB 3.31Å; E146-A150 PolarHBondContact O-N 3.44Å; V147-A150 PolarHBondContact O-N 3.43Å; S148-A150 PolarHBondContact O-N 2.94Å; A150-R154 VanDerWaalsContact O-CG 3.3Å; A150-R154 WeakPolarHBondContact O-CG 3.32Å; A150-R154 PolarHBondContact O-N 3.23Å
151	L	98.1	Very high	96.5	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-70.3	-49.8	173.7	178.8	61.5	0	0	0	111.1	V147 S148 A149 H153 R154 M155 V172 F173 A176 Y247	V147-L151 WeakPolarHBondContact O-CB 3.37Å; V147-L151 PolarHBondContact O-N 3.18Å; S148-L151 PolarHBondContact O-N 3.19Å; A149-L151 VanDerWaalsContact C-N 3.33Å; A149-L151 PolarHBondContact O-N 3.14Å; L151-H153 VanDerWaalsContact C-N 3.3Å; L151-H153 PolarHBondContact O-N 2.93Å; L151-R154 PolarHBondContact O-N 3.44Å; L151-M155 HydrophobicContact CD1-CE 4.14Å; L151-M155 HydrophobicContact CD2-CE 4.16Å; L151-M155 HydrophobicContact CG-CE 3.92Å; L151-M155 WeakPolarHBondContact O-CG 3.33Å; L151-M155 PolarHBondContact O-N 3Å; L151-V172 HydrophobicContact CD1-CG1 3.84Å; L151-F173 HydrophobicContact CD1-CD1 4.48Å; L151-F173 HydrophobicContact CD1-CE1 4.24Å; L151-F173 HydrophobicContact CD1-CE2 4.46Å; L151-F173 HydrophobicContact CD1-CZ 4.23Å; L151-F173 HydrophobicContact CD2-CE1 3.92Å; L151-F173 HydrophobicContact CD2-CZ 4.04Å; L151-A176 HydrophobicContact CD1-CB 3.98Å; L151-Y247 HydrophobicContact CD2-CE1 3.92Å
152	L	98.1	Very high	95.9	Very high	15 Å²	15	55.4 Å²	55.4	8%	0.079	31%	0.31	C	S	.	.	H	α-helix	trans	-60.6	-38.7	178.6	-177.8	64.5	0	0	0	112	V105 E108 K109 L112 S148 A149 M155 H156	V105-L152 HydrophobicContact CG1-CD1 4.01Å; E108-L152 HydrophobicContact CB-CD1 4.14Å; E108-L152 HydrophobicContact CG-CB 4.05Å; E108-L152 HydrophobicContact CG-CD1 4.24Å; K109-L152 HydrophobicContact CB-CD1 4.18Å; K109-L152 HydrophobicContact CB-CD2 4.01Å; K109-L152 HydrophobicContact CG-CD2 4.3Å; L112-L152 HydrophobicContact CD2-CD2 3.61Å; S148-L152 WeakPolarHBondContact O-CB 3.38Å; S148-L152 PolarHBondContact O-N 2.88Å; A149-L152 PolarHBondContact O-N 3.06Å; L152-M155 WeakPolarHBondContact O-CB 3.34Å; L152-M155 PolarHBondContact O-N 3.06Å; L152-H156 PolarHBondContact O-CD2 2.75Å; L152-H156 PolarHBondContact O-N 3.4Å
153	H	97.8	Very high	95.5	Very high	132 Å²	132	56.5 Å²	56.5	61%	0.611	32%	0.317	S	S	*	.	H	α-helix	trans	-60.8	-48.6	174.2	179.7	58.2	0	0	0	111.7	A149 L151 M155 H156 T157	A149-H153 WeakPolarHBondContact O-CB 3.43Å; A149-H153 PolarHBondContact O-N 3.4Å; L151-H153 VanDerWaalsContact C-N 3.3Å; L151-H153 PolarHBondContact O-N 2.93Å; H153-M155 VanDerWaalsContact C-N 3.33Å; H153-M155 PolarHBondContact O-N 2.93Å; H153-H156 PolarHBondContact O-N 3.4Å; H153-H156 VanDerWaalsContact O-N 3.13Å; H153-T157 PolarHBondContact O-N 3.2Å; H153-T157 PolarHBondContact O-OG1 3.38Å; H153-T157 VanDerWaalsContact O-OG1 3.08Å
154	R	97.3	Very high	94.8	Very high	107 Å²	107	58.4 Å²	58.4	40%	0.404	33%	0.331	S	S	.	.	H	α-helix	trans	-61.3	-39.1	176.5	-68.8	168.6	-161.9	-88.3	-7.5	112.5	A150 L151 T157 A158 V172 Q175	A150-R154 VanDerWaalsContact O-CG 3.3Å; A150-R154 WeakPolarHBondContact O-CG 3.32Å; A150-R154 PolarHBondContact O-N 3.23Å; L151-R154 PolarHBondContact O-N 3.44Å; R154-T157 PolarHBondContact O-N 2.93Å; R154-A158 PolarHBondContact O-N 2.92Å; R154-V172 HydrophobicContact CB-CG1 3.76Å; R154-V172 HydrophobicContact CB-CG2 4.43Å; R154-Q175 VanDerWaalsContact NH1-OE1 3.07Å
155	M	97.1	Very high	94.3	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-59.3	-48.5	172.5	-68	176	170.1	0	0	111.1	L104 V105 E108 L151 L152 H153 T157 A158 L159 M169 V172 F173	L104-M155 HydrophobicContact CD1-CE 3.86Å; L104-M155 HydrophobicContact CD2-CE 4.36Å; L104-M155 HydrophobicContact CG-CE 3.88Å; V105-M155 HydrophobicContact CG2-CB 4.06Å; V105-M155 HydrophobicContact CG2-CG 4.47Å; V105-M155 HydrophobicContact CG2-SD 4.02Å; E108-M155 HydrophobicContact CB-SD 4.19Å; E108-M155 HydrophobicContact CG-SD 4.28Å; L151-M155 HydrophobicContact CD1-CE 4.14Å; L151-M155 HydrophobicContact CD2-CE 4.16Å; L151-M155 HydrophobicContact CG-CE 3.92Å; L151-M155 WeakPolarHBondContact O-CG 3.33Å; L151-M155 PolarHBondContact O-N 3Å; L152-M155 WeakPolarHBondContact O-CB 3.34Å; L152-M155 PolarHBondContact O-N 3.06Å; H153-M155 VanDerWaalsContact C-N 3.33Å; H153-M155 PolarHBondContact O-N 2.93Å; M155-T157 VanDerWaalsContact C-N 3.33Å; M155-T157 PolarHBondContact O-N 2.96Å; M155-A158 PolarHBondContact O-N 3.16Å; M155-L159 WeakPolarHBondContact O-CB 3.31Å; M155-L159 WeakPolarHBondContact O-CD1 3.47Å; M155-L159 PolarHBondContact O-N 3.11Å; M155-M169 HydrophobicContact CB-CE 4.31Å; M155-M169 HydrophobicContact CG-CE 3.9Å; M155-M169 HydrophobicContact SD-CE 4.48Å; M155-V172 HydrophobicContact CG-CG1 4.02Å; M155-F173 HydrophobicContact CE-CE2 3.46Å; M155-F173 VanDerWaalsContact CE-CE2 3.46Å; M155-F173 HydrophobicContact CE-CZ 3.48Å; M155-F173 VanDerWaalsContact CE-CZ 3.48Å
156	H	96.7	Very high	93.8	Very high	84 Å²	84	61.9 Å²	61.9	39%	0.389	35%	0.353	S	S	.	.	H	α-helix	trans	-64.2	-34.9	177.6	-79.3	-54.9	0	0	0	113.1	L152 H153 L159 S160	L152-H156 PolarHBondContact O-CD2 2.75Å; L152-H156 PolarHBondContact O-N 3.4Å; H153-H156 PolarHBondContact O-N 3.4Å; H153-H156 VanDerWaalsContact O-N 3.13Å; H156-L159 CarbonylContact O-C 3.59Å; H156-L159 PolarHBondContact O-N 3.04Å; H156-S160 PolarHBondContact O-N 3.02Å; H156-S160 VanDerWaalsContact O-N 3.11Å; H156-S160 PolarHBondContact O-OG 2.95Å
157	T	95.5	Very high	93.6	Very high	82 Å²	82	56.5 Å²	56.5	50%	0.503	33%	0.329	S	S	.	.	H	α-helix	trans	-62.7	-46	171.7	-53.6	0	0	0	0	111.5	H153 R154 M155 L159 S160	H153-T157 PolarHBondContact O-N 3.2Å; H153-T157 PolarHBondContact O-OG1 3.38Å; H153-T157 VanDerWaalsContact O-OG1 3.08Å; R154-T157 PolarHBondContact O-N 2.93Å; M155-T157 VanDerWaalsContact C-N 3.33Å; M155-T157 PolarHBondContact O-N 2.96Å; T157-L159 VanDerWaalsContact C-N 3.31Å; T157-L159 PolarHBondContact O-N 2.92Å; T157-S160 WeakPolarHBondContact O-CB 3.37Å; T157-S160 PolarHBondContact O-N 3.42Å; T157-S160 VanDerWaalsContact O-N 3.1Å
158	A	93.7	Very high	93.4	Very high	22 Å²	22	57.3 Å²	57.3	18%	0.182	33%	0.333	C	S	.	.	H	α-helix	trans	-64.6	-34	176	0	0	0	0	0	112.7	R154 M155 S160 M169 V172	R154-A158 PolarHBondContact O-N 2.92Å; M155-A158 PolarHBondContact O-N 3.16Å; A158-S160 PolarHBondContact O-N 3Å; A158-M169 HydrophobicContact CB-SD 4.43Å; A158-V172 HydrophobicContact CB-CG2 3.94Å
159	L	93.3	Very high	93.3	Very high	67 Å²	67	57.3 Å²	57.3	35%	0.351	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	2.1	174.1	-90.3	74.6	0	0	0	114	I101 V105 M155 H156 T157 V167 M169	I101-L159 HydrophobicContact CG2-CD1 3.8Å; I101-L159 HydrophobicContact CG2-CD2 3.99Å; I101-L159 HydrophobicContact CG2-CG 4.23Å; V105-L159 HydrophobicContact CG2-CD1 4.28Å; V105-L159 HydrophobicContact CG2-CD2 4.08Å; M155-L159 WeakPolarHBondContact O-CB 3.31Å; M155-L159 WeakPolarHBondContact O-CD1 3.47Å; M155-L159 PolarHBondContact O-N 3.11Å; H156-L159 CarbonylContact O-C 3.59Å; H156-L159 PolarHBondContact O-N 3.04Å; T157-L159 VanDerWaalsContact C-N 3.31Å; T157-L159 PolarHBondContact O-N 2.92Å; L159-V167 HydrophobicContact CD1-CG1 3.97Å; L159-V167 HydrophobicContact CG-CG1 4.5Å; L159-M169 HydrophobicContact CD1-CE 4.25Å; L159-M169 HydrophobicContact CD1-SD 3.62Å
160	S	91.4	Very high	93.2	Very high	95 Å²	95	55.5 Å²	55.5	66%	0.664	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-4.5	176	-60.4	0	0	0	0	113.2	H156 T157 A158	H156-S160 PolarHBondContact O-N 3.02Å; H156-S160 VanDerWaalsContact O-N 3.11Å; H156-S160 PolarHBondContact O-OG 2.95Å; T157-S160 WeakPolarHBondContact O-CB 3.37Å; T157-S160 PolarHBondContact O-N 3.42Å; T157-S160 VanDerWaalsContact O-N 3.1Å; A158-S160 PolarHBondContact O-N 3Å
161	D	89.5	Confident	93.2	Very high	78 Å²	78	56.7 Å²	56.7	42%	0.417	32%	0.319	S	S	.	.	S	Bend	trans	-71.6	135	173.6	-159.2	-67.9	0	0	0	110.8	D163	D161-D163 VanDerWaalsContact C-N 3.26Å; D161-D163 PolarHBondContact O-N 3.38Å; D161-D163 PolarHBondContact OD1-N 3.34Å
162	P	84.4	Confident	93.2	Very high	127 Å²	127	57.1 Å²	57.1	83%	0.825	32%	0.321	S	S	*	.	S	Bend	trans	-68.9	-16.1	176.5	28.7	-36.8	0	0	0	114.7
163	D	88.1	Confident	93.2	Very high	83 Å²	83	56.7 Å²	56.7	44%	0.444	32%	0.319	S	S	.	.			trans	-101.1	115.8	177.9	-175.5	-5	0	0	0	112.4	D161 E165 A166	D161-D163 VanDerWaalsContact C-N 3.26Å; D161-D163 PolarHBondContact O-N 3.38Å; D161-D163 PolarHBondContact OD1-N 3.34Å; D163-E165 VanDerWaalsContact C-N 3.28Å; D163-E165 PolarHBondContact O-N 3.41Å; D163-E165 PolarHBondContact OD1-N 2.9Å; D163-A166 HydrophobicContact CB-CB 3.91Å; D163-A166 WeakPolarHBondContact O-CB 3.4Å; D163-A166 PolarHBondContact O-N 3.1Å
164	P	83	Confident	93.2	Very high	91 Å²	91	51.9 Å²	51.9	59%	0.591	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.7	175.7	-24.8	35.7	0	0	0	116.6	R97	R97-P164 PolarHBondContact NH1-O 3.27Å
165	E	86.6	Confident	93.1	Very high	46 Å²	46	52.7 Å²	52.7	22%	0.215	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-21.8	173.3	-68.6	-101	171.9	0	0	111.6	R90 M94 D163 H262	R90-E165 IonicContact CZ-OE1 3.05Å; R90-E165 IonicContact CZ-OE2 3.53Å; R90-E165 IonicContact NE-OE1 3.73Å; R90-E165 PolarHBondContact NE-OE1 2.89Å; R90-E165 IonicContact NH2-OE1 2.66Å; R90-E165 PolarHBondContact NH2-OE1 2.93Å; R90-E165 IonicContact NH2-OE2 3.16Å; R90-E165 PolarHBondContact NH2-OE2 3.44Å; M94-E165 HydrophobicContact CE-CG 3.82Å; D163-E165 VanDerWaalsContact C-N 3.28Å; D163-E165 PolarHBondContact O-N 3.41Å; D163-E165 PolarHBondContact OD1-N 2.9Å; E165-H262 IonicContact OE2-CD2 3.92Å; E165-H262 PolarHBondContact OE2-CD2 2.91Å; E165-H262 IonicContact OE2-CG 2.66Å
166	A	88.8	Confident	93.1	Very high	41 Å²	41	53 Å²	53	34%	0.339	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-16.2	176.9	0	0	0	0	0	113.9	D163 V168	D163-A166 HydrophobicContact CB-CB 3.91Å; D163-A166 WeakPolarHBondContact O-CB 3.4Å; D163-A166 PolarHBondContact O-N 3.1Å; A166-V168 PolarHBondContact O-N 2.87Å
167	V	93.1	Very high	93.1	Very high	14 Å²	14	52.8 Å²	52.8	9%	0.085	31%	0.306	C	S	.	.			trans	-68	103.9	179.1	-178.1	0	0	0	0	110.5	R97 I101 L159 M169	R97-V167 PolarHBondContact NH1-O 3.01Å; R97-V167 PolarHBondContact NH2-O 2.98Å; I101-V167 HydrophobicContact CD1-CG1 4.49Å; L159-V167 HydrophobicContact CD1-CG1 3.97Å; L159-V167 HydrophobicContact CG-CG1 4.5Å; V167-M169 HydrophobicContact CG1-CG 4.17Å; V167-M169 HydrophobicContact CG1-SD 4.15Å
168	V	94.7	Very high	93	Very high	35 Å²	35	51.8 Å²	51.8	21%	0.212	31%	0.307	C	S	.	.			trans	-100.1	108.6	177.2	178.2	0	0	0	0	110.7	A166 D171 D264 P267	A166-V168 PolarHBondContact O-N 2.87Å; V168-D171 HydrophobicContact CG1-CB 3.89Å; V168-D264 HydrophobicContact CG1-CB 4.37Å; V168-D264 VanDerWaalsContact CG1-OD1 3.27Å; V168-D264 WeakPolarHBondContact CG1-OD1 3.25Å; V168-D264 HydrophobicContact CG2-CB 4.41Å; V168-P267 HydrophobicContact CG1-CB 4.16Å; V168-P267 HydrophobicContact CG1-CG 4.22Å
169	M	96.3	Very high	93.2	Very high	0 Å²	0	53 Å²	53	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-93.6	-21.2	-177.7	-66.8	-65.5	-72.9	0	0	113.4	I101 L104 V105 M155 A158 L159 V167 L254 D264 L268	I101-M169 HydrophobicContact CD1-CG 3.98Å; I101-M169 HydrophobicContact CG1-CG 4.17Å; I101-M169 HydrophobicContact CG2-CE 4.4Å; L104-M169 HydrophobicContact CD2-CE 3.79Å; L104-M169 HydrophobicContact CG-CE 4.43Å; V105-M169 HydrophobicContact CG2-CE 4.25Å; M155-M169 HydrophobicContact CB-CE 4.31Å; M155-M169 HydrophobicContact CG-CE 3.9Å; M155-M169 HydrophobicContact SD-CE 4.48Å; A158-M169 HydrophobicContact CB-SD 4.43Å; L159-M169 HydrophobicContact CD1-CE 4.25Å; L159-M169 HydrophobicContact CD1-SD 3.62Å; V167-M169 HydrophobicContact CG1-CG 4.17Å; V167-M169 HydrophobicContact CG1-SD 4.15Å; M169-L254 HydrophobicContact CB-CD2 3.87Å; M169-L254 HydrophobicContact CG-CD2 4.25Å; M169-D264 PolarHBondContact N-OD1 3.48Å; M169-D264 PolarHBondContact N-OD2 3.37Å; M169-L268 HydrophobicContact CB-CD2 4.38Å
170	G	96.8	Very high	93.4	Very high	0 Å²	0	50 Å²	50	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.5	-49.6	175.1	0	0	0	0	0	111.9	V172 F173 I174 D264	G170-V172 VanDerWaalsContact C-N 3.27Å; G170-V172 PolarHBondContact O-N 2.92Å; G170-F173 WeakPolarHBondContact O-CA 3.03Å; G170-F173 PolarHBondContact O-N 3.39Å; G170-I174 WeakPolarHBondContact O-CG1 3.3Å; G170-I174 PolarHBondContact O-N 2.88Å; G170-D264 PolarHBondContact N-OD1 3.25Å
171	D	96.4	Very high	93.6	Very high	70 Å²	70	47.4 Å²	47.4	37%	0.374	28%	0.278	S	S	.	.	H	α-helix	trans	-59.3	-35.9	179.5	-78	-7.2	0	0	0	113	V168 F173 I174 Q175	V168-D171 HydrophobicContact CG1-CB 3.89Å; D171-F173 VanDerWaalsContact C-N 3.27Å; D171-F173 PolarHBondContact O-N 3.19Å; D171-I174 PolarHBondContact O-N 3.23Å; D171-Q175 WeakPolarHBondContact O-CB 3.2Å; D171-Q175 VanDerWaalsContact O-CG 3.26Å; D171-Q175 WeakPolarHBondContact O-CG 3.44Å; D171-Q175 PolarHBondContact O-N 2.76Å
172	V	97.9	Very high	93.9	Very high	10 Å²	10	48 Å²	48	6%	0.061	28%	0.281	C	S	.	.	H	α-helix	trans	-56.9	-41.7	174.1	171.3	0	0	0	0	111.2	L151 R154 M155 A158 G170 A176	L151-V172 HydrophobicContact CD1-CG1 3.84Å; R154-V172 HydrophobicContact CB-CG1 3.76Å; R154-V172 HydrophobicContact CB-CG2 4.43Å; M155-V172 HydrophobicContact CG-CG1 4.02Å; A158-V172 HydrophobicContact CB-CG2 3.94Å; G170-V172 VanDerWaalsContact C-N 3.27Å; G170-V172 PolarHBondContact O-N 2.92Å; V172-A176 WeakPolarHBondContact O-CB 3.21Å; V172-A176 PolarHBondContact O-N 3.2Å
173	F	98.2	Very high	94.5	Very high	7 Å²	7	43.1 Å²	43.1	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-79.3	-34.3	176.1	-84.4	-86.3	0	0	0	113.5	L104 L151 M155 G170 D171 Q175 A176 K177 L180 Y247 L251 A271	L104-F173 HydrophobicContact CD1-CE2 4.31Å; L104-F173 HydrophobicContact CD1-CZ 4.12Å; L104-F173 HydrophobicContact CD2-CE2 4.18Å; L151-F173 HydrophobicContact CD1-CD1 4.48Å; L151-F173 HydrophobicContact CD1-CE1 4.24Å; L151-F173 HydrophobicContact CD1-CE2 4.46Å; L151-F173 HydrophobicContact CD1-CZ 4.23Å; L151-F173 HydrophobicContact CD2-CE1 3.92Å; L151-F173 HydrophobicContact CD2-CZ 4.04Å; M155-F173 HydrophobicContact CE-CE2 3.46Å; M155-F173 VanDerWaalsContact CE-CE2 3.46Å; M155-F173 HydrophobicContact CE-CZ 3.48Å; M155-F173 VanDerWaalsContact CE-CZ 3.48Å; G170-F173 WeakPolarHBondContact O-CA 3.03Å; G170-F173 PolarHBondContact O-N 3.39Å; D171-F173 VanDerWaalsContact C-N 3.27Å; D171-F173 PolarHBondContact O-N 3.19Å; F173-Q175 VanDerWaalsContact C-N 3.32Å; F173-Q175 PolarHBondContact O-N 3.42Å; F173-A176 PolarHBondContact O-N 2.92Å; F173-K177 PolarHBondContact O-N 3.33Å; F173-L180 HydrophobicContact CD1-CD1 4.11Å; F173-L180 HydrophobicContact CE1-CD1 4.36Å; F173-Y247 AromaticContact CE1-CD1 3.45Å; F173-Y247 HydrophobicContact CE1-CD1 3.45Å; F173-Y247 VanDerWaalsContact CE1-CD1 3.45Å; F173-Y247 AromaticContact CE1-CE1 3.82Å; F173-Y247 HydrophobicContact CE1-CE1 3.82Å; F173-Y247 AromaticContact CE1-CG 3.85Å; F173-Y247 HydrophobicContact CE1-CG 3.85Å; F173-Y247 AromaticContact CZ-CD1 3.65Å; F173-Y247 HydrophobicContact CZ-CD1 3.65Å; F173-Y247 AromaticContact CZ-CE1 3.93Å; F173-Y247 HydrophobicContact CZ-CE1 3.93Å; F173-Y247 HydrophobicContact CZ-CG 4.45Å; F173-L251 HydrophobicContact CB-CD1 4.43Å; F173-L251 HydrophobicContact CD1-CD1 4.04Å; F173-L251 HydrophobicContact CD2-CD1 4.38Å; F173-L251 HydrophobicContact CD2-CD2 3.74Å; F173-L251 HydrophobicContact CE1-CD1 4.42Å; F173-L251 HydrophobicContact CE2-CD2 4.01Å; F173-L251 HydrophobicContact CG-CD1 4.02Å; F173-L251 HydrophobicContact CG-CD2 4.17Å; F173-A271 HydrophobicContact CB-CB 3.78Å
174	I	97.8	Very high	95	Very high	31 Å²	31	39.1 Å²	39.1	16%	0.159	23%	0.228	C	C	.	.	H	α-helix	trans	-62.7	-40.7	175	-67	165.9	0	0	0	110.4	G170 D171 K177 P267 E270 A271	G170-I174 WeakPolarHBondContact O-CG1 3.3Å; G170-I174 PolarHBondContact O-N 2.88Å; D171-I174 PolarHBondContact O-N 3.23Å; I174-K177 VanDerWaalsContact O-CD 3.31Å; I174-K177 WeakPolarHBondContact O-CD 3.34Å; I174-K177 VanDerWaalsContact O-CE 3.29Å; I174-K177 WeakPolarHBondContact O-CE 3.38Å; I174-K177 WeakPolarHBondContact O-CG 3.2Å; I174-P267 HydrophobicContact CD1-CB 4.16Å; I174-E270 HydrophobicContact CD1-CB 3.96Å; I174-E270 HydrophobicContact CD1-CG 4.39Å; I174-E270 HydrophobicContact CG1-CB 4.36Å; I174-E270 HydrophobicContact CG1-CG 4.45Å; I174-A271 HydrophobicContact CG1-CB 4.24Å
175	Q	96.8	Very high	95.4	Very high	123 Å²	123	37.6 Å²	37.6	58%	0.575	21%	0.212	S	C	*	.	H	α-helix	trans	-67.3	-37.9	173.3	-69	173.7	30.6	0	0	112.3	R154 D171 F173	R154-Q175 VanDerWaalsContact NH1-OE1 3.07Å; D171-Q175 WeakPolarHBondContact O-CB 3.2Å; D171-Q175 VanDerWaalsContact O-CG 3.26Å; D171-Q175 WeakPolarHBondContact O-CG 3.44Å; D171-Q175 PolarHBondContact O-N 2.76Å; F173-Q175 VanDerWaalsContact C-N 3.32Å; F173-Q175 PolarHBondContact O-N 3.42Å
176	A	96.8	Very high	95.8	Very high	8 Å²	8	39.4 Å²	39.4	7%	0.066	22%	0.222	C	C	.	.	H	α-helix	trans	-78.2	-14.5	-179	0	0	0	0	0	114.4	L151 V172 F173 A178 A179 L180	L151-A176 HydrophobicContact CD1-CB 3.98Å; V172-A176 WeakPolarHBondContact O-CB 3.21Å; V172-A176 PolarHBondContact O-N 3.2Å; F173-A176 PolarHBondContact O-N 2.92Å; A176-A178 VanDerWaalsContact C-N 3.35Å; A176-A178 PolarHBondContact O-N 2.81Å; A176-A179 PolarHBondContact O-N 2.9Å; A176-L180 HydrophobicContact CB-CD1 3.84Å; A176-L180 HydrophobicContact CB-CG 4.22Å; A176-L180 WeakPolarHBondContact O-CB 3.39Å; A176-L180 WeakPolarHBondContact O-CG 3.44Å; A176-L180 PolarHBondContact O-N 3.37Å
177	K	95.3	Very high	96.1	Very high	78 Å²	78	37.5 Å²	37.5	34%	0.339	21%	0.206	S	C	.	.	H	α-helix	trans	-55.8	-40.6	-165.7	73.1	-167.3	160.9	177.8	0	114.8	F173 I174 E181 E270 A274 I278	F173-K177 PolarHBondContact O-N 3.33Å; I174-K177 VanDerWaalsContact O-CD 3.31Å; I174-K177 WeakPolarHBondContact O-CD 3.34Å; I174-K177 VanDerWaalsContact O-CE 3.29Å; I174-K177 WeakPolarHBondContact O-CE 3.38Å; I174-K177 WeakPolarHBondContact O-CG 3.2Å; K177-E181 PolarHBondContact O-N 3.44Å; K177-E270 IonicContact NZ-OE1 3.56Å; K177-E270 PolarHBondContact NZ-OE1 2.92Å; K177-A274 HydrophobicContact CB-CB 4.34Å; K177-A274 HydrophobicContact CD-CB 4.11Å; K177-I278 HydrophobicContact CB-CD1 4.2Å; K177-I278 WeakPolarHBondContact O-CD1 3.26Å
178	A	95.2	Very high	96.1	Very high	62 Å²	62	37.2 Å²	37.2	51%	0.512	20%	0.204	S	C	.	.	H	α-helix	trans	-68.1	-49.5	179	0	0	0	0	0	112.2	A176 L180 E181 D182	A176-A178 VanDerWaalsContact C-N 3.35Å; A176-A178 PolarHBondContact O-N 2.81Å; A178-L180 VanDerWaalsContact C-N 3.31Å; A178-L180 PolarHBondContact O-N 2.81Å; A178-E181 PolarHBondContact O-N 2.94Å; A178-E181 VanDerWaalsContact O-N 3.13Å; A178-D182 PolarHBondContact O-N 3.21Å
179	A	97.5	Very high	95.8	Very high	46 Å²	46	38.9 Å²	38.9	38%	0.38	21%	0.207	S	C	.	.	H	α-helix	trans	-62.5	-38.3	178.1	0	0	0	0	0	112.1	V147 A176 V183	V147-A179 HydrophobicContact CG1-CB 4.39Å; V147-A179 HydrophobicContact CG2-CB 4.26Å; A176-A179 PolarHBondContact O-N 2.9Å; A179-V183 VanDerWaalsContact O-CB 3.3Å; A179-V183 WeakPolarHBondContact O-CB 3.24Å; A179-V183 WeakPolarHBondContact O-CG2 3.48Å; A179-V183 PolarHBondContact O-N 3.01Å
180	L	97.3	Very high	95.6	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-62.9	-43	172.4	-74.8	170.3	0	0	0	112	V147 F173 A176 A178 Y184 Y247 I278	V147-L180 HydrophobicContact CG1-CD2 3.8Å; V147-L180 HydrophobicContact CG1-CG 4.25Å; F173-L180 HydrophobicContact CD1-CD1 4.11Å; F173-L180 HydrophobicContact CE1-CD1 4.36Å; A176-L180 HydrophobicContact CB-CD1 3.84Å; A176-L180 HydrophobicContact CB-CG 4.22Å; A176-L180 WeakPolarHBondContact O-CB 3.39Å; A176-L180 WeakPolarHBondContact O-CG 3.44Å; A176-L180 PolarHBondContact O-N 3.37Å; A178-L180 VanDerWaalsContact C-N 3.31Å; A178-L180 PolarHBondContact O-N 2.81Å; L180-Y184 HydrophobicContact CD2-CD2 4.24Å; L180-Y184 HydrophobicContact CD2-CE2 3.8Å; L180-Y184 WeakPolarHBondContact O-CB 3.37Å; L180-Y184 VanDerWaalsContact O-CD2 3.31Å; L180-Y184 WeakPolarHBondContact O-CD2 3.47Å; L180-Y184 PolarHBondContact O-N 3.41Å; L180-Y247 HydrophobicContact CD2-CE2 4.05Å; L180-I278 HydrophobicContact CB-CD1 4.29Å
181	E	95.8	Very high	95.4	Very high	41 Å²	41	42.8 Å²	42.8	19%	0.192	23%	0.225	C	C	.	.	H	α-helix	trans	-66.3	-57.5	178.3	-167	166.2	158.3	0	0	111.7	K177 A178 V183 K185 I278 N281	K177-E181 PolarHBondContact O-N 3.44Å; A178-E181 PolarHBondContact O-N 2.94Å; A178-E181 VanDerWaalsContact O-N 3.13Å; E181-V183 PolarHBondContact O-N 3.23Å; E181-K185 WeakPolarHBondContact O-CB 3.41Å; E181-K185 PolarHBondContact O-N 2.82Å; E181-I278 HydrophobicContact CB-CD1 4.38Å; E181-I278 HydrophobicContact CB-CG1 4.02Å; E181-I278 HydrophobicContact CB-CG2 4.2Å; E181-I278 HydrophobicContact CG-CG1 4.34Å; E181-I278 HydrophobicContact CG-CG2 4.24Å; E181-N281 WeakPolarHBondContact OE1-CB 3.42Å; E181-N281 PolarHBondContact OE1-ND2 3.44Å; E181-N281 PolarHBondContact OE2-ND2 2.91Å
182	D	95.6	Very high	95.1	Very high	90 Å²	90	42 Å²	42	48%	0.481	22%	0.221	S	C	.	.	H	α-helix	trans	-63.6	-41.1	-170.3	-75.9	-40.8	0	0	0	112.7	A178 K185 I186	A178-D182 PolarHBondContact O-N 3.21Å; D182-K185 IonicContact OD1-NZ 2.67Å; D182-I186 WeakPolarHBondContact O-CG1 3.28Å; D182-I186 PolarHBondContact O-N 2.9Å
183	V	97.4	Very high	94.7	Very high	24 Å²	24	43.2 Å²	43.2	15%	0.145	23%	0.228	C	C	.	.	H	α-helix	trans	-75.2	-44	-177.3	175.5	0	0	0	0	112.2	N140 V144 V147 A179 E181 I186 Y187	N140-V183 WeakPolarHBondContact ND2-CG1 3.42Å; N140-V183 PolarHBondContact ND2-O 3.5Å; V144-V183 HydrophobicContact CB-CG1 4.37Å; V144-V183 HydrophobicContact CG2-CG1 3.74Å; V147-V183 HydrophobicContact CG2-CB 4.06Å; V147-V183 HydrophobicContact CG2-CG1 4.11Å; V147-V183 HydrophobicContact CG2-CG2 3.77Å; A179-V183 VanDerWaalsContact O-CB 3.3Å; A179-V183 WeakPolarHBondContact O-CB 3.24Å; A179-V183 WeakPolarHBondContact O-CG2 3.48Å; A179-V183 PolarHBondContact O-N 3.01Å; E181-V183 PolarHBondContact O-N 3.23Å; V183-I186 PolarHBondContact O-N 3.29Å; V183-Y187 PolarHBondContact O-N 2.73Å
184	Y	97.1	Very high	94.5	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-75	-26	179.2	-75.7	-103.3	0	0	0	112.8	Y111 V144 V147 L180 Y187 C188 P240 I244	Y111-Y184 WeakPolarHBondContact CE1-OH 3.5Å; Y111-Y184 WeakPolarHBondContact OH-CE1 3.19Å; Y111-Y184 PolarHBondContact OH-OH 2.98Å; V144-Y184 HydrophobicContact CG1-CE1 3.99Å; V144-Y184 HydrophobicContact CG1-CE2 4.32Å; V147-Y184 HydrophobicContact CG1-CE2 4.39Å; L180-Y184 HydrophobicContact CD2-CD2 4.24Å; L180-Y184 HydrophobicContact CD2-CE2 3.8Å; L180-Y184 WeakPolarHBondContact O-CB 3.37Å; L180-Y184 VanDerWaalsContact O-CD2 3.31Å; L180-Y184 WeakPolarHBondContact O-CD2 3.47Å; L180-Y184 PolarHBondContact O-N 3.41Å; Y184-Y187 PolarHBondContact O-N 2.89Å; Y184-C188 VanDerWaalsContact O-CB 3.25Å; Y184-C188 WeakPolarHBondContact O-CB 3.34Å; Y184-C188 PolarHBondContact O-N 2.95Å; Y184-C188 PolarHBondContact O-SG 3.32Å; Y184-P240 HydrophobicContact CD1-CB 4.22Å; Y184-P240 HydrophobicContact CE1-CB 3.88Å; Y184-P240 WeakPolarHBondContact CE1-O 3.42Å; Y184-I244 HydrophobicContact CD1-CB 3.67Å; Y184-I244 HydrophobicContact CD1-CD1 4.17Å; Y184-I244 HydrophobicContact CD1-CG1 4.12Å; Y184-I244 HydrophobicContact CD1-CG2 4.23Å; Y184-I244 HydrophobicContact CD2-CD1 4.15Å; Y184-I244 HydrophobicContact CE1-CB 4.12Å; Y184-I244 HydrophobicContact CG-CB 4.2Å; Y184-I244 HydrophobicContact CG-CD1 3.88Å; Y184-I244 HydrophobicContact CG-CG1 4.13Å
185	K	93.1	Very high	94.2	Very high	58 Å²	58	42.9 Å²	42.9	25%	0.252	23%	0.227	S	C	.	.	H	α-helix	trans	-61.3	-42.9	171.9	174.4	179.7	169.5	-171.8	0	112.2	E181 D182 Y189 I282 F285	E181-K185 WeakPolarHBondContact O-CB 3.41Å; E181-K185 PolarHBondContact O-N 2.82Å; D182-K185 IonicContact OD1-NZ 2.67Å; K185-Y189 WeakPolarHBondContact O-CB 3.37Å; K185-Y189 PolarHBondContact O-N 2.9Å; K185-Y189 VanDerWaalsContact O-N 3.08Å; K185-I282 HydrophobicContact CB-CG1 4.05Å; K185-F285 HydrophobicContact CD-CD1 4.43Å; K185-F285 HydrophobicContact CG-CD1 3.47Å; K185-F285 VanDerWaalsContact CG-CD1 3.47Å; K185-F285 HydrophobicContact CG-CE1 3.71Å; K185-F285 HydrophobicContact CG-CG 4.14Å
186	I	93.2	Very high	93.9	Very high	84 Å²	84	42 Å²	42	43%	0.431	22%	0.224	S	C	.	.	H	α-helix	trans	-65.4	-45.2	175.4	-62	165.9	0	0	0	110.3	N140 D182 V183 Y189 H190	N140-I186 HydrophobicContact CB-CG2 4.42Å; N140-I186 VanDerWaalsContact OD1-CG2 3.3Å; N140-I186 WeakPolarHBondContact OD1-CG2 3.44Å; D182-I186 WeakPolarHBondContact O-CG1 3.28Å; D182-I186 PolarHBondContact O-N 2.9Å; V183-I186 PolarHBondContact O-N 3.29Å; I186-Y189 PolarHBondContact O-N 3.14Å; I186-H190 PolarHBondContact O-N 3.09Å; I186-H190 PolarHBondContact O-ND1 3.24Å
187	Y	96	Very high	93.7	Very high	2 Å²	2	42 Å²	42	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-62.2	-53.9	-179.3	-169.2	-81.3	0	0	0	111.3	F138 T139 N140 M141 V144 V183 Y184 Y189 H190 H191 L237 P240 V241	F138-Y187 WeakPolarHBondContact O-CE2 3.42Å; T139-Y187 WeakPolarHBondContact OG1-CD2 3.34Å; T139-Y187 VanDerWaalsContact OG1-CE2 3.24Å; T139-Y187 WeakPolarHBondContact OG1-CE2 3.18Å; N140-Y187 WeakPolarHBondContact OD1-CA 3.47Å; N140-Y187 WeakPolarHBondContact OD1-CB 3.46Å; N140-Y187 PolarHBondContact OD1-N 3.17Å; M141-Y187 HydrophobicContact CB-CE2 4.09Å; M141-Y187 HydrophobicContact CE-CE2 4.08Å; M141-Y187 VanDerWaalsContact CE-OH 3.23Å; M141-Y187 WeakPolarHBondContact CE-OH 3.49Å; V144-Y187 HydrophobicContact CG2-CD2 3.81Å; V144-Y187 HydrophobicContact CG2-CG 4.13Å; V183-Y187 PolarHBondContact O-N 2.73Å; Y184-Y187 PolarHBondContact O-N 2.89Å; Y187-Y189 VanDerWaalsContact C-N 3.26Å; Y187-Y189 PolarHBondContact O-N 2.88Å; Y187-H190 PolarHBondContact O-N 3.45Å; Y187-H190 VanDerWaalsContact O-N 3.13Å; Y187-H191 HydrophobicContact CE1-CB 4.41Å; Y187-H191 AromaticContact CE1-ND1 3.9Å; Y187-H191 WeakPolarHBondContact O-CB 3.41Å; Y187-H191 PolarHBondContact O-N 3.4Å; Y187-L237 WeakPolarHBondContact CE1-O 3.38Å; Y187-L237 PolarHBondContact OH-O 2.84Å; Y187-P240 HydrophobicContact CD1-CB 3.82Å; Y187-P240 HydrophobicContact CD1-CG 4.29Å; Y187-P240 HydrophobicContact CD2-CG 4.49Å; Y187-P240 HydrophobicContact CE1-CB 3.74Å; Y187-P240 HydrophobicContact CE1-CG 3.78Å; Y187-P240 HydrophobicContact CE2-CB 4.49Å; Y187-P240 HydrophobicContact CE2-CG 4Å; Y187-P240 HydrophobicContact CG-CB 4.27Å; Y187-V241 HydrophobicContact CD1-CG2 4.2Å; Y187-V241 HydrophobicContact CE1-CG2 4.06Å
188	C	93.6	Very high	93.6	Very high	7 Å²	7	38.5 Å²	38.5	5%	0.047	21%	0.208	C	C	.	.	H	α-helix	trans	-67.5	-25.2	-177.1	-64.4	0	0	0	0	113.2	Y184 I282	Y184-C188 VanDerWaalsContact O-CB 3.25Å; Y184-C188 WeakPolarHBondContact O-CB 3.34Å; Y184-C188 PolarHBondContact O-N 2.95Å; Y184-C188 PolarHBondContact O-SG 3.32Å; C188-I282 HydrophobicContact CB-CG2 3.49Å; C188-I282 VanDerWaalsContact CB-CG2 3.49Å
189	Y	88.9	Confident	93.5	Very high	70 Å²	70	40.9 Å²	40.9	28%	0.275	21%	0.207	S	C	.	.	H	α-helix	trans	-69.6	-42.5	171.6	178.2	-86.2	0	0	0	111.6	K185 I186 Y187 F285 K289	K185-Y189 WeakPolarHBondContact O-CB 3.37Å; K185-Y189 PolarHBondContact O-N 2.9Å; K185-Y189 VanDerWaalsContact O-N 3.08Å; I186-Y189 PolarHBondContact O-N 3.14Å; Y187-Y189 VanDerWaalsContact C-N 3.26Å; Y187-Y189 PolarHBondContact O-N 2.88Å; Y189-F285 AromaticContact CD2-CD1 3.63Å; Y189-F285 HydrophobicContact CD2-CD1 3.63Å; Y189-F285 AromaticContact CD2-CE1 3.27Å; Y189-F285 HydrophobicContact CD2-CE1 3.27Å; Y189-F285 HydrophobicContact CD2-CE2 4.5Å; Y189-F285 HydrophobicContact CD2-CG 4.39Å; Y189-F285 AromaticContact CD2-CZ 3.76Å; Y189-F285 HydrophobicContact CD2-CZ 3.76Å; Y189-F285 AromaticContact CE2-CE1 3.99Å; Y189-F285 HydrophobicContact CE2-CE1 3.99Å; Y189-F285 HydrophobicContact CE2-CZ 4Å; Y189-F285 HydrophobicContact CG-CD1 4.19Å; Y189-F285 AromaticContact CG-CE1 3.69Å; Y189-F285 HydrophobicContact CG-CE1 3.69Å; Y189-F285 HydrophobicContact CG-CZ 4.41Å; Y189-K289 HydrophobicContact CD1-CD 4.02Å; Y189-K289 HydrophobicContact CD2-CB 3.96Å; Y189-K289 HydrophobicContact CD2-CD 3.75Å; Y189-K289 HydrophobicContact CD2-CG 4.22Å; Y189-K289 HydrophobicContact CE1-CD 3.87Å; Y189-K289 HydrophobicContact CE2-CB 3.58Å; Y189-K289 HydrophobicContact CE2-CD 3.6Å; Y189-K289 HydrophobicContact CE2-CG 3.68Å; Y189-K289 HydrophobicContact CG-CD 3.96Å; Y189-K289 WeakPolarHBondContact O-CD 3.25Å; Y189-K289 PolarHBondContact O-NZ 3.48Å
190	H	91.4	Very high	93.3	Very high	76 Å²	76	40.6 Å²	40.6	35%	0.352	21%	0.205	S	C	.	.	H	α-helix	trans	-86.3	-20.9	-177.4	-66.5	104.6	0	0	0	114.3	T139 I186 Y187 D192 D193 A194	T139-H190 HydrophobicContact CG2-CB 3.46Å; T139-H190 VanDerWaalsContact CG2-CB 3.46Å; I186-H190 PolarHBondContact O-N 3.09Å; I186-H190 PolarHBondContact O-ND1 3.24Å; Y187-H190 PolarHBondContact O-N 3.45Å; Y187-H190 VanDerWaalsContact O-N 3.13Å; H190-D192 VanDerWaalsContact C-N 3.26Å; H190-D192 PolarHBondContact O-N 3.34Å; H190-D192 VanDerWaalsContact O-N 3.07Å; H190-D193 PolarHBondContact O-N 3.37Å; H190-A194 PolarHBondContact O-N 3.19Å
191	H	92.1	Very high	93	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.028	21%	0.211	C	C	.	.	H	α-helix	trans	-52.1	-32.8	-175.9	-179.3	73.9	0	0	0	115.4	Y187 N195 L237 I238 V241	Y187-H191 HydrophobicContact CE1-CB 4.41Å; Y187-H191 AromaticContact CE1-ND1 3.9Å; Y187-H191 WeakPolarHBondContact O-CB 3.41Å; Y187-H191 PolarHBondContact O-N 3.4Å; H191-N195 PolarHBondContact CD2-ND2 3.28Å; H191-N195 PolarHBondContact CE1-ND2 2.91Å; H191-N195 PolarHBondContact NE2-ND2 2.92Å; H191-N195 WeakPolarHBondContact O-CB 3.37Å; H191-N195 PolarHBondContact O-N 2.83Å; H191-N195 PolarHBondContact O-ND2 2.97Å; H191-L237 PolarHBondContact CE1-O 3.25Å; H191-L237 PolarHBondContact ND1-O 2.84Å; H191-I238 VanDerWaalsContact NE2-CD1 3.27Å; H191-I238 WeakPolarHBondContact NE2-CD1 3.41Å; H191-V241 HydrophobicContact CB-CG2 4.4Å
192	D	89.4	Confident	92.8	Very high	53 Å²	53	44.1 Å²	44.1	28%	0.283	22%	0.219	S	C	.	.	H	α-helix	trans	-70.6	-33.6	175.2	-78.7	-44.9	0	0	0	113.4	H190 M196 R286	H190-D192 VanDerWaalsContact C-N 3.26Å; H190-D192 PolarHBondContact O-N 3.34Å; H190-D192 VanDerWaalsContact O-N 3.07Å; D192-M196 PolarHBondContact O-N 2.7Å; D192-M196 VanDerWaalsContact O-N 3.1Å; D192-R286 IonicContact OD1-CZ 3.87Å; D192-R286 IonicContact OD1-NH2 2.72Å; D192-R286 PolarHBondContact OD1-NH2 3.46Å; D192-R286 IonicContact OD2-CZ 2.92Å; D192-R286 IonicContact OD2-NE 2.76Å; D192-R286 PolarHBondContact OD2-NE 2.98Å; D192-R286 IonicContact OD2-NH2 2.68Å; D192-R286 PolarHBondContact OD2-NH2 3.31Å
193	D	90.6	Very high	92.6	Very high	37 Å²	37	47.8 Å²	47.8	20%	0.198	23%	0.231	C	C	.	.	H	α-helix	trans	-79.6	-33.3	177	-63.5	-45.4	0	0	0	110.9	H190 M196 S197 K289	H190-D193 PolarHBondContact O-N 3.37Å; D193-M196 PolarHBondContact O-N 3.19Å; D193-S197 WeakPolarHBondContact O-CB 3.34Å; D193-S197 PolarHBondContact O-N 3.33Å; D193-S197 PolarHBondContact O-OG 3.05Å; D193-K289 VanDerWaalsContact OD2-CE 3.25Å; D193-K289 WeakPolarHBondContact OD2-CE 3.47Å; D193-K289 IonicContact OD2-NZ 2.72Å; D193-K289 PolarHBondContact OD2-NZ 2.93Å
194	A	93.5	Very high	92.4	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.008	25%	0.247	C	C	.	.	H	α-helix	trans	-57.9	-51.1	166.6	0	0	0	0	0	111.2	L137 T139 H190 M196 S197 L198	L137-A194 VanDerWaalsContact O-CB 3.29Å; L137-A194 WeakPolarHBondContact O-CB 3.37Å; T139-A194 HydrophobicContact CG2-CB 4.07Å; H190-A194 PolarHBondContact O-N 3.19Å; A194-M196 PolarHBondContact O-N 2.93Å; A194-S197 PolarHBondContact O-N 2.91Å; A194-L198 PolarHBondContact O-N 3.41Å
195	N	91.8	Very high	92.2	Very high	30 Å²	30	56.1 Å²	56.1	16%	0.16	27%	0.269	C	S	.	.	H	α-helix	trans	-59.1	-27.4	173.8	-90.1	-67.5	0	0	0	114.5	H191 K199	H191-N195 PolarHBondContact CD2-ND2 3.28Å; H191-N195 PolarHBondContact CE1-ND2 2.91Å; H191-N195 PolarHBondContact NE2-ND2 2.92Å; H191-N195 WeakPolarHBondContact O-CB 3.37Å; H191-N195 PolarHBondContact O-N 2.83Å; H191-N195 PolarHBondContact O-ND2 2.97Å; N195-K199 WeakPolarHBondContact O-CD 3.39Å; N195-K199 WeakPolarHBondContact O-CG 3.4Å; N195-K199 PolarHBondContact O-NZ 2.97Å
196	M	90.3	Very high	92	Very high	104 Å²	104	60.7 Å²	60.7	51%	0.512	29%	0.291	S	S	.	.	H	α-helix	trans	-79.6	-35.9	175.3	-166.9	177.8	-49	0	0	111.5	D192 D193 A194 K199 A200	D192-M196 PolarHBondContact O-N 2.7Å; D192-M196 VanDerWaalsContact O-N 3.1Å; D193-M196 PolarHBondContact O-N 3.19Å; A194-M196 PolarHBondContact O-N 2.93Å; M196-K199 PolarHBondContact O-N 2.93Å; M196-A200 PolarHBondContact O-N 3.21Å
197	S	92.6	Very high	91.9	Very high	9 Å²	9	57.5 Å²	57.5	6%	0.063	27%	0.274	C	S	.	.	H	α-helix	trans	-71.5	-43.2	178.2	-50.5	0	0	0	0	110.7	R136 D193 A194 K199 A200 Y201	R136-S197 PolarHBondContact NE-OG 2.81Å; D193-S197 WeakPolarHBondContact O-CB 3.34Å; D193-S197 PolarHBondContact O-N 3.33Å; D193-S197 PolarHBondContact O-OG 3.05Å; A194-S197 PolarHBondContact O-N 2.91Å; S197-K199 VanDerWaalsContact C-N 3.31Å; S197-K199 PolarHBondContact O-N 2.83Å; S197-A200 WeakPolarHBondContact O-CA 3.45Å; S197-A200 WeakPolarHBondContact O-CB 3.48Å; S197-A200 PolarHBondContact O-N 2.96Å; S197-Y201 WeakPolarHBondContact O-CD2 3.19Å; S197-Y201 PolarHBondContact O-N 3.28Å
198	L	93.8	Very high	91.7	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-51.2	-49.7	169.7	-179.5	59.6	0	0	0	111.3	L137 A194 A200 Y201 E202 F211 M233 L237	L137-L198 HydrophobicContact CD1-CB 3.86Å; L137-L198 HydrophobicContact CD1-CD1 4.48Å; A194-L198 PolarHBondContact O-N 3.41Å; L198-A200 PolarHBondContact O-N 3.46Å; L198-Y201 PolarHBondContact O-N 3.27Å; L198-E202 HydrophobicContact CD1-CG 4.06Å; L198-E202 HydrophobicContact CG-CG 4.24Å; L198-E202 WeakPolarHBondContact O-CB 3.46Å; L198-E202 VanDerWaalsContact O-CG 3.27Å; L198-E202 WeakPolarHBondContact O-CG 3.37Å; L198-E202 PolarHBondContact O-N 3.22Å; L198-F211 HydrophobicContact CD1-CD2 4.08Å; L198-F211 HydrophobicContact CD1-CE2 3.62Å; L198-F211 HydrophobicContact CD1-CZ 4.23Å; L198-M233 HydrophobicContact CD1-CB 3.85Å; L198-M233 HydrophobicContact CD1-CG 4.36Å; L198-M233 HydrophobicContact CD2-CB 4Å; L198-L237 HydrophobicContact CD2-CD1 4.1Å
199	K	92.8	Very high	91.6	Very high	113 Å²	113	65.9 Å²	65.9	49%	0.491	31%	0.312	S	S	.	.	H	α-helix	trans	-73.2	-1.9	177.9	-68.6	172.9	-173.9	114.4	0	115	N195 M196 S197 E202 K203	N195-K199 WeakPolarHBondContact O-CD 3.39Å; N195-K199 WeakPolarHBondContact O-CG 3.4Å; N195-K199 PolarHBondContact O-NZ 2.97Å; M196-K199 PolarHBondContact O-N 2.93Å; S197-K199 VanDerWaalsContact C-N 3.31Å; S197-K199 PolarHBondContact O-N 2.83Å; K199-E202 WeakPolarHBondContact CG-OE2 3.49Å; K199-K203 WeakPolarHBondContact O-CE 3.27Å; K199-K203 PolarHBondContact O-NZ 3.07Å
200	A	92.4	Very high	91.7	Very high	40 Å²	40	65.6 Å²	65.6	33%	0.331	31%	0.313	S	S	.	.	H	α-helix	trans	-87.9	-57.1	163.4	0	0	0	0	0	108.7	M196 S197 L198 E202 K203	M196-A200 PolarHBondContact O-N 3.21Å; S197-A200 WeakPolarHBondContact O-CA 3.45Å; S197-A200 WeakPolarHBondContact O-CB 3.48Å; S197-A200 PolarHBondContact O-N 2.96Å; L198-A200 PolarHBondContact O-N 3.46Å; A200-E202 VanDerWaalsContact C-N 3.31Å; A200-E202 PolarHBondContact O-N 3.19Å; A200-K203 VanDerWaalsContact O-CB 3.3Å; A200-K203 WeakPolarHBondContact O-CB 3.45Å; A200-K203 PolarHBondContact O-N 3.13Å
201	Y	92.6	Very high	91.7	Very high	39 Å²	39	62.4 Å²	62.4	15%	0.153	30%	0.298	C	S	.	.	H	α-helix	trans	-57.8	-35	179.8	-63.2	-42.9	0	0	0	114.3	V132 D133 L137 S197 L198 K203 E204 I207 F211	V132-Y201 HydrophobicContact CB-CD2 4.21Å; V132-Y201 HydrophobicContact CB-CE1 4.36Å; V132-Y201 HydrophobicContact CB-CE2 3.77Å; V132-Y201 HydrophobicContact CG1-CD1 3.9Å; V132-Y201 HydrophobicContact CG1-CD2 3.7Å; V132-Y201 HydrophobicContact CG1-CE1 3.93Å; V132-Y201 HydrophobicContact CG1-CE2 3.73Å; V132-Y201 HydrophobicContact CG1-CG 3.78Å; D133-Y201 WeakPolarHBondContact CB-OH 3.45Å; D133-Y201 PolarHBondContact N-OH 3.02Å; L137-Y201 HydrophobicContact CD2-CD2 4.49Å; S197-Y201 WeakPolarHBondContact O-CD2 3.19Å; S197-Y201 PolarHBondContact O-N 3.28Å; L198-Y201 PolarHBondContact O-N 3.27Å; Y201-K203 PolarHBondContact O-N 3.04Å; Y201-K203 VanDerWaalsContact O-N 3.08Å; Y201-E204 PolarHBondContact O-N 3.13Å; Y201-I207 HydrophobicContact CD1-CD1 3.68Å; Y201-I207 HydrophobicContact CD1-CG2 4.48Å; Y201-I207 HydrophobicContact CE1-CD1 4.3Å; Y201-I207 HydrophobicContact CG-CD1 4.46Å; Y201-I207 HydrophobicContact CG-CG2 4.29Å; Y201-F211 HydrophobicContact CD2-CZ 4.14Å; Y201-F211 HydrophobicContact CG-CZ 4.28Å
202	E	91.3	Very high	91.6	Very high	80 Å²	80	65.6 Å²	65.6	37%	0.374	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-12.9	174.7	-76.6	171.2	159.6	0	0	114.3	L198 K199 A200 K208	L198-E202 HydrophobicContact CD1-CG 4.06Å; L198-E202 HydrophobicContact CG-CG 4.24Å; L198-E202 WeakPolarHBondContact O-CB 3.46Å; L198-E202 VanDerWaalsContact O-CG 3.27Å; L198-E202 WeakPolarHBondContact O-CG 3.37Å; L198-E202 PolarHBondContact O-N 3.22Å; K199-E202 WeakPolarHBondContact CG-OE2 3.49Å; A200-E202 VanDerWaalsContact C-N 3.31Å; A200-E202 PolarHBondContact O-N 3.19Å; E202-K208 VanDerWaalsContact O-CD 3.32Å; E202-K208 WeakPolarHBondContact O-CD 3.18Å
203	K	91.7	Very high	91.7	Very high	167 Å²	167	67.4 Å²	67.4	73%	0.726	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-17.2	173.4	-58.3	167.7	-176.3	141.5	0	112.7	K199 A200 Y201	K199-K203 WeakPolarHBondContact O-CE 3.27Å; K199-K203 PolarHBondContact O-NZ 3.07Å; A200-K203 VanDerWaalsContact O-CB 3.3Å; A200-K203 WeakPolarHBondContact O-CB 3.45Å; A200-K203 PolarHBondContact O-N 3.13Å; Y201-K203 PolarHBondContact O-N 3.04Å; Y201-K203 VanDerWaalsContact O-N 3.08Å
204	E	92.9	Very high	91.7	Very high	102 Å²	102	66.2 Å²	66.2	48%	0.477	33%	0.325	S	S	.	.	S	Bend	trans	-96.6	101.4	-177.1	-66	175.9	-117.1	0	0	107.5	Y201 Q206 I207 K208	Y201-E204 PolarHBondContact O-N 3.13Å; E204-Q206 PolarHBondContact O-N 2.86Å; E204-I207 HydrophobicContact CB-CB 4.34Å; E204-I207 HydrophobicContact CB-CD1 3.99Å; E204-I207 HydrophobicContact CB-CG1 4.12Å; E204-I207 PolarHBondContact O-N 3.21Å; E204-K208 PolarHBondContact O-N 3.08Å
205	E	91.9	Very high	91.5	Very high	98 Å²	98	67.2 Å²	67.2	46%	0.458	33%	0.33	S	S	.	.	H	α-helix	trans	-58	-30.6	-165.5	-167.5	58.1	-138.6	0	0	113.2	K208 Q209	E205-K208 IonicContact OE1-NZ 2.6Å; E205-K208 PolarHBondContact OE1-NZ 3.22Å; E205-K208 IonicContact OE2-NZ 2.67Å; E205-K208 PolarHBondContact OE2-NZ 3.37Å; E205-Q209 WeakPolarHBondContact O-CB 3.23Å; E205-Q209 VanDerWaalsContact O-CG 3.22Å; E205-Q209 WeakPolarHBondContact O-CG 3.4Å; E205-Q209 PolarHBondContact O-N 3.4Å
206	Q	90.1	Very high	91.4	Very high	154 Å²	154	70.8 Å²	70.8	72%	0.72	35%	0.349	S	S	*	.	H	α-helix	trans	-65.5	-47.5	173.4	-67.6	178	-15	0	0	112.3	E204 Q209 H210	E204-Q206 PolarHBondContact O-N 2.86Å; Q206-Q209 WeakPolarHBondContact O-CB 3.39Å; Q206-Q209 PolarHBondContact O-N 3.31Å; Q206-H210 PolarHBondContact O-CD2 3.41Å; Q206-H210 PolarHBondContact O-N 2.97Å; Q206-H210 VanDerWaalsContact O-N 3.09Å
207	I	90.4	Very high	91.3	Very high	16 Å²	16	67.9 Å²	67.9	8%	0.082	34%	0.341	C	S	.	.	H	α-helix	trans	-68.1	-39.6	179	-53.2	178.1	0	0	0	110.2	V132 Y201 E204 Q209 H210 F211	V132-I207 HydrophobicContact CG1-CD1 4.43Å; V132-I207 HydrophobicContact CG1-CG2 3.41Å; V132-I207 VanDerWaalsContact CG1-CG2 3.41Å; Y201-I207 HydrophobicContact CD1-CD1 3.68Å; Y201-I207 HydrophobicContact CD1-CG2 4.48Å; Y201-I207 HydrophobicContact CE1-CD1 4.3Å; Y201-I207 HydrophobicContact CG-CD1 4.46Å; Y201-I207 HydrophobicContact CG-CG2 4.29Å; E204-I207 HydrophobicContact CB-CB 4.34Å; E204-I207 HydrophobicContact CB-CD1 3.99Å; E204-I207 HydrophobicContact CB-CG1 4.12Å; E204-I207 PolarHBondContact O-N 3.21Å; I207-Q209 VanDerWaalsContact C-N 3.3Å; I207-Q209 PolarHBondContact O-N 3.32Å; I207-H210 PolarHBondContact O-N 3.3Å; I207-H210 VanDerWaalsContact O-N 3.16Å; I207-F211 HydrophobicContact CG2-CD1 4.48Å; I207-F211 HydrophobicContact CG2-CE1 3.96Å; I207-F211 HydrophobicContact CG2-CE2 3.99Å; I207-F211 HydrophobicContact CG2-CZ 3.7Å; I207-F211 WeakPolarHBondContact O-CG 3.37Å; I207-F211 PolarHBondContact O-N 3.48Å
208	K	91	Very high	91.1	Very high	74 Å²	74	67.4 Å²	67.4	32%	0.322	34%	0.338	S	S	.	.	H	α-helix	trans	-59.3	-36.7	171.6	169.9	164.7	161.5	-83.8	0	112.7	E202 E204 E205 T212	E202-K208 VanDerWaalsContact O-CD 3.32Å; E202-K208 WeakPolarHBondContact O-CD 3.18Å; E204-K208 PolarHBondContact O-N 3.08Å; E205-K208 IonicContact OE1-NZ 2.6Å; E205-K208 PolarHBondContact OE1-NZ 3.22Å; E205-K208 IonicContact OE2-NZ 2.67Å; E205-K208 PolarHBondContact OE2-NZ 3.37Å; K208-T212 WeakPolarHBondContact O-CB 3.24Å; K208-T212 PolarHBondContact O-N 2.76Å; K208-T212 PolarHBondContact O-OG1 2.98Å
209	Q	91.1	Very high	90.7	Very high	111 Å²	111	71.2 Å²	71.2	52%	0.519	36%	0.355	S	S	.	.	H	α-helix	trans	-65.9	-44.1	172.1	-76.4	167.5	18.9	0	0	111.9	E205 Q206 I207 F211 T212 T213	E205-Q209 WeakPolarHBondContact O-CB 3.23Å; E205-Q209 VanDerWaalsContact O-CG 3.22Å; E205-Q209 WeakPolarHBondContact O-CG 3.4Å; E205-Q209 PolarHBondContact O-N 3.4Å; Q206-Q209 WeakPolarHBondContact O-CB 3.39Å; Q206-Q209 PolarHBondContact O-N 3.31Å; I207-Q209 VanDerWaalsContact C-N 3.3Å; I207-Q209 PolarHBondContact O-N 3.32Å; Q209-F211 PolarHBondContact O-N 3.12Å; Q209-T212 WeakPolarHBondContact O-CB 3.35Å; Q209-T212 PolarHBondContact O-N 3.5Å; Q209-T212 VanDerWaalsContact O-N 3.17Å; Q209-T213 PolarHBondContact O-N 3.41Å; Q209-T213 PolarHBondContact O-OG1 2.77Å; Q209-T213 VanDerWaalsContact O-OG1 3.07Å
210	H	91.2	Very high	90.4	Very high	65 Å²	65	72.1 Å²	72.1	30%	0.301	36%	0.359	S	S	.	.	H	α-helix	trans	-59.8	-46.1	174.3	-67.9	-62.9	0	0	0	112.6	L126 Q206 I207 T212 T213 C214	L126-H210 HydrophobicContact CD2-CB 4.29Å; Q206-H210 PolarHBondContact O-CD2 3.41Å; Q206-H210 PolarHBondContact O-N 2.97Å; Q206-H210 VanDerWaalsContact O-N 3.09Å; I207-H210 PolarHBondContact O-N 3.3Å; I207-H210 VanDerWaalsContact O-N 3.16Å; H210-T212 VanDerWaalsContact C-N 3.31Å; H210-T212 PolarHBondContact O-N 3.48Å; H210-T213 PolarHBondContact O-N 3.05Å; H210-C214 PolarHBondContact O-N 2.95Å; H210-C214 PolarHBondContact O-SG 3.36Å; H210-C214 VanDerWaalsContact O-SG 3.39Å
211	F	92	Very high	90.1	Very high	8 Å²	8	71.9 Å²	71.9	4%	0.035	35%	0.351	C	S	.	.	H	α-helix	trans	-58.1	-43	173.1	-66.1	-19.8	0	0	0	112.2	L126 V132 L137 L198 Y201 I207 Q209 T213 C214 I215 M233	L126-F211 HydrophobicContact CD1-CD1 3.91Å; L126-F211 HydrophobicContact CD1-CE1 3.82Å; L126-F211 HydrophobicContact CD2-CD1 3.98Å; L126-F211 HydrophobicContact CD2-CE1 4.09Å; V132-F211 HydrophobicContact CG1-CE1 4.06Å; V132-F211 HydrophobicContact CG1-CZ 3.95Å; V132-F211 HydrophobicContact CG2-CE1 4.48Å; L137-F211 HydrophobicContact CD2-CE1 4.03Å; L137-F211 HydrophobicContact CD2-CZ 3.89Å; L198-F211 HydrophobicContact CD1-CD2 4.08Å; L198-F211 HydrophobicContact CD1-CE2 3.62Å; L198-F211 HydrophobicContact CD1-CZ 4.23Å; Y201-F211 HydrophobicContact CD2-CZ 4.14Å; Y201-F211 HydrophobicContact CG-CZ 4.28Å; I207-F211 HydrophobicContact CG2-CD1 4.48Å; I207-F211 HydrophobicContact CG2-CE1 3.96Å; I207-F211 HydrophobicContact CG2-CE2 3.99Å; I207-F211 HydrophobicContact CG2-CZ 3.7Å; I207-F211 WeakPolarHBondContact O-CG 3.37Å; I207-F211 PolarHBondContact O-N 3.48Å; Q209-F211 PolarHBondContact O-N 3.12Å; F211-T213 VanDerWaalsContact C-N 3.34Å; F211-T213 PolarHBondContact O-N 3.37Å; F211-C214 PolarHBondContact O-N 2.86Å; F211-I215 WeakPolarHBondContact O-CB 3.32Å; F211-I215 WeakPolarHBondContact O-CG1 3.35Å; F211-I215 PolarHBondContact O-N 3.37Å; F211-M233 HydrophobicContact CB-CG 3.99Å; F211-M233 HydrophobicContact CB-SD 4.25Å; F211-M233 HydrophobicContact CD1-CE 3.72Å; F211-M233 HydrophobicContact CD1-SD 4.44Å; F211-M233 HydrophobicContact CD2-CG 4.41Å; F211-M233 HydrophobicContact CE1-CE 3.98Å; F211-M233 HydrophobicContact CG-CE 4.08Å; F211-M233 HydrophobicContact CG-CG 4.17Å; F211-M233 HydrophobicContact CG-SD 4.38Å
212	T	90.1	Very high	89.6	Confident	73 Å²	73	70.4 Å²	70.4	45%	0.448	35%	0.346	S	S	.	.	H	α-helix	trans	-61.9	-42	178	-57	0	0	0	0	111.1	K208 Q209 H210 I215 L216	K208-T212 WeakPolarHBondContact O-CB 3.24Å; K208-T212 PolarHBondContact O-N 2.76Å; K208-T212 PolarHBondContact O-OG1 2.98Å; Q209-T212 WeakPolarHBondContact O-CB 3.35Å; Q209-T212 PolarHBondContact O-N 3.5Å; Q209-T212 VanDerWaalsContact O-N 3.17Å; H210-T212 VanDerWaalsContact C-N 3.31Å; H210-T212 PolarHBondContact O-N 3.48Å; T212-I215 PolarHBondContact O-N 3.31Å; T212-L216 HydrophobicContact CG2-CD1 3.98Å; T212-L216 HydrophobicContact CG2-CG 4.39Å; T212-L216 WeakPolarHBondContact O-CB 3.36Å; T212-L216 VanDerWaalsContact O-CG 3.24Å; T212-L216 WeakPolarHBondContact O-CG 3.27Å; T212-L216 PolarHBondContact O-N 3.4Å
213	T	91.6	Very high	89.2	Confident	92 Å²	92	72 Å²	72	56%	0.564	35%	0.353	S	S	*	.	H	α-helix	trans	-60.8	-47.3	175.4	-56.5	0	0	0	0	112	Q209 H210 F211 L216 A217	Q209-T213 PolarHBondContact O-N 3.41Å; Q209-T213 PolarHBondContact O-OG1 2.77Å; Q209-T213 VanDerWaalsContact O-OG1 3.07Å; H210-T213 PolarHBondContact O-N 3.05Å; F211-T213 VanDerWaalsContact C-N 3.34Å; F211-T213 PolarHBondContact O-N 3.37Å; T213-L216 PolarHBondContact O-N 3.08Å; T213-A217 PolarHBondContact O-N 2.92Å
214	C	91.1	Very high	88.8	Confident	11 Å²	11	71 Å²	71	7%	0.074	35%	0.351	C	S	.	.	H	α-helix	trans	-63	-44.5	177.4	-64	0	0	0	0	112.1	V122 H210 F211 L216 A217 L218	V122-C214 HydrophobicContact CB-CB 4.32Å; V122-C214 HydrophobicContact CG1-CB 3.9Å; V122-C214 HydrophobicContact CG2-CB 4.2Å; H210-C214 PolarHBondContact O-N 2.95Å; H210-C214 PolarHBondContact O-SG 3.36Å; H210-C214 VanDerWaalsContact O-SG 3.39Å; F211-C214 PolarHBondContact O-N 2.86Å; C214-L216 VanDerWaalsContact C-N 3.33Å; C214-L216 PolarHBondContact O-N 3.18Å; C214-A217 PolarHBondContact O-N 2.89Å; C214-L218 WeakPolarHBondContact O-CB 3.49Å; C214-L218 PolarHBondContact O-N 2.65Å
215	I	89.3	Confident	88	Confident	22 Å²	22	70.2 Å²	70.2	11%	0.113	35%	0.347	C	S	.	.	H	α-helix	trans	-63.6	-37.1	176.8	-69.6	-68.3	0	0	0	111.7	F211 T212 K219 M233 L236	F211-I215 WeakPolarHBondContact O-CB 3.32Å; F211-I215 WeakPolarHBondContact O-CG1 3.35Å; F211-I215 PolarHBondContact O-N 3.37Å; T212-I215 PolarHBondContact O-N 3.31Å; I215-K219 WeakPolarHBondContact O-CB 3.06Å; I215-K219 PolarHBondContact O-N 3.49Å; I215-M233 HydrophobicContact CD1-CG 4.18Å; I215-M233 HydrophobicContact CD1-SD 3.81Å; I215-M233 HydrophobicContact CG1-CG 4Å; I215-M233 HydrophobicContact CG1-SD 3.79Å; I215-L236 HydrophobicContact CD1-CD1 3.66Å
216	L	88.5	Confident	87	Confident	106 Å²	106	68.4 Å²	68.4	56%	0.555	36%	0.355	S	S	*	.	H	α-helix	trans	-68.9	-39.7	176.1	-74.3	171.2	0	0	0	112.8	T212 T213 C214 K219 K220	T212-L216 HydrophobicContact CG2-CD1 3.98Å; T212-L216 HydrophobicContact CG2-CG 4.39Å; T212-L216 WeakPolarHBondContact O-CB 3.36Å; T212-L216 VanDerWaalsContact O-CG 3.24Å; T212-L216 WeakPolarHBondContact O-CG 3.27Å; T212-L216 PolarHBondContact O-N 3.4Å; T213-L216 PolarHBondContact O-N 3.08Å; C214-L216 VanDerWaalsContact C-N 3.33Å; C214-L216 PolarHBondContact O-N 3.18Å; L216-K219 PolarHBondContact O-N 3.36Å; L216-K220 PolarHBondContact O-N 3.39Å; L216-K220 VanDerWaalsContact O-N 3.08Å
217	A	88.6	Confident	85.9	Confident	42 Å²	42	63.3 Å²	63.3	35%	0.347	33%	0.331	S	S	.	.	H	α-helix	trans	-61.5	-47.2	173.7	0	0	0	0	0	111.2	T213 C214 K220 I221	T213-A217 PolarHBondContact O-N 2.92Å; C214-A217 PolarHBondContact O-N 2.89Å; A217-K220 WeakPolarHBondContact O-CB 3.34Å; A217-K220 PolarHBondContact O-N 3.26Å; A217-I221 PolarHBondContact O-N 3.3Å
218	L	87.8	Confident	84.5	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-64.2	-42.3	177.5	-174.3	58.6	0	0	0	112.4	L117 E121 V122 C214 K220 I221 Y222 L230 L236	L117-L218 HydrophobicContact CB-CD1 3.61Å; E121-L218 HydrophobicContact CB-CB 4.4Å; E121-L218 HydrophobicContact CB-CD1 4.19Å; E121-L218 HydrophobicContact CG-CD1 4.13Å; V122-L218 HydrophobicContact CG2-CD2 3.81Å; C214-L218 WeakPolarHBondContact O-CB 3.49Å; C214-L218 PolarHBondContact O-N 2.65Å; L218-K220 VanDerWaalsContact C-N 3.31Å; L218-K220 PolarHBondContact O-N 3.08Å; L218-I221 PolarHBondContact O-N 3.16Å; L218-I221 VanDerWaalsContact O-N 3.15Å; L218-Y222 HydrophobicContact CD1-CD2 3.93Å; L218-Y222 HydrophobicContact CD1-CE2 3.54Å; L218-Y222 HydrophobicContact CG-CD2 4.14Å; L218-Y222 HydrophobicContact CG-CE2 3.89Å; L218-Y222 WeakPolarHBondContact O-CD2 3.48Å; L218-Y222 PolarHBondContact O-N 2.86Å; L218-L230 HydrophobicContact CD2-CD2 3.45Å; L218-L230 VanDerWaalsContact CD2-CD2 3.45Å; L218-L230 HydrophobicContact CG-CD2 3.73Å; L218-L236 HydrophobicContact CD2-CD1 3.8Å; L218-L236 HydrophobicContact CD2-CD2 3.95Å; L218-L236 HydrophobicContact CD2-CG 4.47Å
219	K	85.7	Confident	83.1	Confident	82 Å²	82	70.5 Å²	70.5	36%	0.357	38%	0.378	S	S	.	.	H	α-helix	trans	-61.1	-38.2	176.6	-175.9	168.6	-176.1	-74.8	0	112.1	I215 L216 I221 Y222 E223	I215-K219 WeakPolarHBondContact O-CB 3.06Å; I215-K219 PolarHBondContact O-N 3.49Å; L216-K219 PolarHBondContact O-N 3.36Å; K219-I221 VanDerWaalsContact C-N 3.3Å; K219-I221 PolarHBondContact O-N 3.06Å; K219-Y222 PolarHBondContact O-N 3.02Å; K219-E223 HydrophobicContact CG-CG 4.45Å; K219-E223 IonicContact NZ-OE1 2.93Å; K219-E223 PolarHBondContact NZ-OE1 2.92Å; K219-E223 WeakPolarHBondContact O-CB 3.5Å; K219-E223 VanDerWaalsContact O-CG 3.32Å; K219-E223 WeakPolarHBondContact O-CG 3.46Å; K219-E223 PolarHBondContact O-N 2.91Å
220	K	86.4	Confident	81.7	Confident	133 Å²	133	65.6 Å²	65.6	58%	0.578	36%	0.355	S	S	*	.	H	α-helix	trans	-61.7	-35.9	175.4	-176.1	-176.1	176.1	-173.2	0	112.6	L216 A217 L218 Q224	L216-K220 PolarHBondContact O-N 3.39Å; L216-K220 VanDerWaalsContact O-N 3.08Å; A217-K220 WeakPolarHBondContact O-CB 3.34Å; A217-K220 PolarHBondContact O-N 3.26Å; L218-K220 VanDerWaalsContact C-N 3.31Å; L218-K220 PolarHBondContact O-N 3.08Å; K220-Q224 WeakPolarHBondContact O-CG 3.2Å; K220-Q224 PolarHBondContact O-N 3.19Å
221	I	86.6	Confident	80.6	Confident	35 Å²	35	69.2 Å²	69.2	18%	0.179	38%	0.376	C	S	.	.	H	α-helix	trans	-71.4	-46.7	174.8	-62.2	163.8	0	0	0	109.9	L117 E121 A217 L218 K219 E223 Q224 E225	L117-I221 HydrophobicContact CD1-CG2 4.17Å; L117-I221 HydrophobicContact CD2-CG2 4.23Å; E121-I221 HydrophobicContact CG-CD1 3.74Å; A217-I221 PolarHBondContact O-N 3.3Å; L218-I221 PolarHBondContact O-N 3.16Å; L218-I221 VanDerWaalsContact O-N 3.15Å; K219-I221 VanDerWaalsContact C-N 3.3Å; K219-I221 PolarHBondContact O-N 3.06Å; I221-E223 VanDerWaalsContact C-N 3.28Å; I221-E223 PolarHBondContact O-N 2.76Å; I221-Q224 WeakPolarHBondContact O-CA 3.35Å; I221-Q224 WeakPolarHBondContact O-CB 3.08Å; I221-Q224 PolarHBondContact O-N 3.44Å; I221-E225 PolarHBondContact O-N 3.27Å
222	Y	82.9	Confident	80.1	Confident	7 Å²	7	72.7 Å²	72.7	3%	0.027	40%	0.395	C	S	.	.	H	α-helix	trans	-60.2	-34.7	177.2	-87.7	-127.5	0	0	0	112.8	D114 L117 L218 K219 E225 G226 K227 L230	D114-Y222 PolarHBondContact OD1-OH 2.95Å; D114-Y222 VanDerWaalsContact OD1-OH 3.08Å; L117-Y222 HydrophobicContact CB-CE2 4.4Å; L117-Y222 HydrophobicContact CD1-CD2 4.11Å; L117-Y222 HydrophobicContact CD1-CE2 3.63Å; L218-Y222 HydrophobicContact CD1-CD2 3.93Å; L218-Y222 HydrophobicContact CD1-CE2 3.54Å; L218-Y222 HydrophobicContact CG-CD2 4.14Å; L218-Y222 HydrophobicContact CG-CE2 3.89Å; L218-Y222 WeakPolarHBondContact O-CD2 3.48Å; L218-Y222 PolarHBondContact O-N 2.86Å; K219-Y222 PolarHBondContact O-N 3.02Å; Y222-E225 PolarHBondContact O-N 3.27Å; Y222-G226 PolarHBondContact O-N 2.93Å; Y222-G226 VanDerWaalsContact O-N 3.1Å; Y222-K227 WeakPolarHBondContact CB-O 3.31Å; Y222-K227 HydrophobicContact CD1-CB 4.01Å; Y222-K227 WeakPolarHBondContact CD1-O 3.48Å; Y222-K227 HydrophobicContact CG-CB 4.46Å; Y222-K227 PolarHBondContact O-N 2.9Å; Y222-L230 HydrophobicContact CD1-CB 3.8Å; Y222-L230 HydrophobicContact CE1-CB 3.84Å; Y222-L230 HydrophobicContact CE1-CD1 3.98Å; Y222-L230 HydrophobicContact CE1-CD2 4.25Å; Y222-L230 HydrophobicContact CE1-CG 4.24Å
223	E	83	Confident	80	Confident	113 Å²	113	69.6 Å²	69.6	53%	0.528	38%	0.376	S	S	.	.	H	α-helix	trans	-66	-36.4	172.5	-77.1	170.3	173.7	0	0	112.5	K219 I221 G226	K219-E223 HydrophobicContact CG-CG 4.45Å; K219-E223 IonicContact NZ-OE1 2.93Å; K219-E223 PolarHBondContact NZ-OE1 2.92Å; K219-E223 WeakPolarHBondContact O-CB 3.5Å; K219-E223 VanDerWaalsContact O-CG 3.32Å; K219-E223 WeakPolarHBondContact O-CG 3.46Å; K219-E223 PolarHBondContact O-N 2.91Å; I221-E223 VanDerWaalsContact C-N 3.28Å; I221-E223 PolarHBondContact O-N 2.76Å; E223-G226 PolarHBondContact O-N 2.9Å
224	Q	81.9	Confident	79.9	Confident	148 Å²	148	66 Å²	66	69%	0.692	36%	0.357	S	S	*	.	H	α-helix	trans	-72.5	-32.3	174.6	-68.5	171.2	-5.5	0	0	112.3	K220 I221 G226	K220-Q224 WeakPolarHBondContact O-CG 3.2Å; K220-Q224 PolarHBondContact O-N 3.19Å; I221-Q224 WeakPolarHBondContact O-CA 3.35Å; I221-Q224 WeakPolarHBondContact O-CB 3.08Å; I221-Q224 PolarHBondContact O-N 3.44Å; Q224-G226 VanDerWaalsContact C-N 3.3Å
225	E	77.4	Confident	79.8	Confident	84 Å²	84	67 Å²	67	39%	0.393	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-3.8	172.4	-72.3	-172	-151.7	0	0	114.1	I221 Y222 K227	I221-E225 PolarHBondContact O-N 3.27Å; Y222-E225 PolarHBondContact O-N 3.27Å; E225-K227 VanDerWaalsContact C-N 3.34Å; E225-K227 HydrophobicContact CB-CD 4.13Å; E225-K227 HydrophobicContact CB-CG 4.27Å; E225-K227 WeakPolarHBondContact OE2-CE 3.34Å; E225-K227 IonicContact OE2-NZ 3.05Å; E225-K227 PolarHBondContact OE2-NZ 2.9Å
226	G	70.1	Confident	79.8	Confident	60 Å²	60	66 Å²	66	62%	0.619	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	22.3	-178.1	0	0	0	0	0	114.8	Y222 E223 Q224 P228	Y222-G226 PolarHBondContact O-N 2.93Å; Y222-G226 VanDerWaalsContact O-N 3.1Å; E223-G226 PolarHBondContact O-N 2.9Å; Q224-G226 VanDerWaalsContact C-N 3.3Å; G226-P228 WeakPolarHBondContact O-CD 3.37Å
227	K	67.1	Low	80	Confident	48 Å²	48	60.9 Å²	60.9	21%	0.209	33%	0.332	C	S	.	.			trans	-109	76.4	-176.2	-67.6	174.3	176.6	170.7	0	111.9	D110 Y222 E225 N229	D110-K227 WeakPolarHBondContact OD1-CE 3.38Å; D110-K227 IonicContact OD1-NZ 2.78Å; D110-K227 PolarHBondContact OD1-NZ 2.81Å; Y222-K227 WeakPolarHBondContact CB-O 3.31Å; Y222-K227 HydrophobicContact CD1-CB 4.01Å; Y222-K227 WeakPolarHBondContact CD1-O 3.48Å; Y222-K227 HydrophobicContact CG-CB 4.46Å; Y222-K227 PolarHBondContact O-N 2.9Å; E225-K227 VanDerWaalsContact C-N 3.34Å; E225-K227 HydrophobicContact CB-CD 4.13Å; E225-K227 HydrophobicContact CB-CG 4.27Å; E225-K227 WeakPolarHBondContact OE2-CE 3.34Å; E225-K227 IonicContact OE2-NZ 3.05Å; E225-K227 PolarHBondContact OE2-NZ 2.9Å; K227-N229 PolarHBondContact O-N 2.76Å
228	P	60.5	Low	80.2	Confident	96 Å²	96	61.3 Å²	61.3	62%	0.623	33%	0.328	S	S	*	.			trans	-69.7	-0.9	-172.4	29.5	-37.9	0	0	0	116.1	G226 L230	G226-P228 WeakPolarHBondContact O-CD 3.37Å; P228-L230 PolarHBondContact O-N 3.4Å
229	N	62	Low	80.5	Confident	145 Å²	145	62.8 Å²	62.8	78%	0.775	33%	0.334	S	S	*	.			trans	-89.6	27.9	-162.5	-68.6	-27.1	0	0	0	115.6	K227	K227-N229 PolarHBondContact O-N 2.76Å
230	L	62.3	Low	81	Confident	7 Å²	7	58.9 Å²	58.9	4%	0.037	32%	0.317	C	S	.	.			trans	-108.9	127.3	173.6	-156.5	79	0	0	0	111.1	L218 Y222 P228 L236	L218-L230 HydrophobicContact CD2-CD2 3.45Å; L218-L230 VanDerWaalsContact CD2-CD2 3.45Å; L218-L230 HydrophobicContact CG-CD2 3.73Å; Y222-L230 HydrophobicContact CD1-CB 3.8Å; Y222-L230 HydrophobicContact CE1-CB 3.84Å; Y222-L230 HydrophobicContact CE1-CD1 3.98Å; Y222-L230 HydrophobicContact CE1-CD2 4.25Å; Y222-L230 HydrophobicContact CE1-CG 4.24Å; P228-L230 PolarHBondContact O-N 3.4Å; L230-L236 HydrophobicContact CD1-CD2 3.62Å; L230-L236 HydrophobicContact CD1-CG 4.09Å; L230-L236 HydrophobicContact CD2-CD2 4.02Å; L230-L236 HydrophobicContact CD2-CG 4.34Å; L230-L236 HydrophobicContact CG-CD2 4.4Å
231	L	67.3	Low	81.5	Confident	141 Å²	141	53.2 Å²	53.2	74%	0.738	29%	0.294	S	S	*	.			trans	-120.1	-45.4	-166.3	-60.5	177.1	0	0	0	113.7	S235	L231-S235 PolarHBondContact N-OG 2.76Å
232	D	83	Confident	81.9	Confident	82 Å²	82	56 Å²	56	44%	0.439	31%	0.306	S	S	.	.			trans	-157.3	174.9	-176.6	63.1	50	0	0	0	113.2	G234 S235 L236	D232-G234 VanDerWaalsContact C-N 3.29Å; D232-G234 PolarHBondContact O-N 2.88Å; D232-G234 VanDerWaalsContact OD1-CA 3.23Å; D232-G234 WeakPolarHBondContact OD1-CA 3.39Å; D232-G234 PolarHBondContact OD1-N 2.78Å; D232-S235 PolarHBondContact N-OG 2.96Å; D232-S235 VanDerWaalsContact N-OG 3.15Å; D232-S235 WeakPolarHBondContact O-CB 3.36Å; D232-S235 PolarHBondContact O-N 3.27Å; D232-S235 VanDerWaalsContact O-N 3.15Å; D232-S235 PolarHBondContact O-OG 2.93Å; D232-S235 PolarHBondContact OD1-N 2.87Å; D232-L236 PolarHBondContact O-N 3.42Å
233	M	87.9	Confident	82.6	Confident	8 Å²	8	56 Å²	56	4%	0.039	31%	0.306	C	S	.	.	H	α-helix	trans	-59.6	-35.6	176.8	-69	-72	-72.4	0	0	113.1	V122 L126 F138 L198 F211 I215 S235 L236 L237	V122-M233 HydrophobicContact CG1-CE 3.86Å; V122-M233 HydrophobicContact CG1-SD 3.82Å; L126-M233 HydrophobicContact CD1-CE 4.23Å; F138-M233 HydrophobicContact CZ-CE 3.87Å; L198-M233 HydrophobicContact CD1-CB 3.85Å; L198-M233 HydrophobicContact CD1-CG 4.36Å; L198-M233 HydrophobicContact CD2-CB 4Å; F211-M233 HydrophobicContact CB-CG 3.99Å; F211-M233 HydrophobicContact CB-SD 4.25Å; F211-M233 HydrophobicContact CD1-CE 3.72Å; F211-M233 HydrophobicContact CD1-SD 4.44Å; F211-M233 HydrophobicContact CD2-CG 4.41Å; F211-M233 HydrophobicContact CE1-CE 3.98Å; F211-M233 HydrophobicContact CG-CE 4.08Å; F211-M233 HydrophobicContact CG-CG 4.17Å; F211-M233 HydrophobicContact CG-SD 4.38Å; I215-M233 HydrophobicContact CD1-CG 4.18Å; I215-M233 HydrophobicContact CD1-SD 3.81Å; I215-M233 HydrophobicContact CG1-CG 4Å; I215-M233 HydrophobicContact CG1-SD 3.79Å; M233-S235 VanDerWaalsContact C-N 3.31Å; M233-S235 PolarHBondContact O-N 3.43Å; M233-L236 PolarHBondContact O-N 2.97Å; M233-L237 WeakPolarHBondContact O-CG 3.19Å; M233-L237 PolarHBondContact O-N 3.47Å; M233-L237 VanDerWaalsContact O-N 3.13Å
234	G	89.2	Confident	83.2	Confident	17 Å²	17	51 Å²	51	18%	0.175	28%	0.282	C	S	.	.	H	α-helix	trans	-65.8	-35	176.2	0	0	0	0	0	112.3	D232 L236 L237 I238	D232-G234 VanDerWaalsContact C-N 3.29Å; D232-G234 PolarHBondContact O-N 2.88Å; D232-G234 VanDerWaalsContact OD1-CA 3.23Å; D232-G234 WeakPolarHBondContact OD1-CA 3.39Å; D232-G234 PolarHBondContact OD1-N 2.78Å; G234-L236 PolarHBondContact O-N 3.42Å; G234-L237 PolarHBondContact O-N 3.45Å; G234-I238 WeakPolarHBondContact O-CB 3.42Å; G234-I238 VanDerWaalsContact O-CG2 3.28Å; G234-I238 WeakPolarHBondContact O-CG2 3.31Å; G234-I238 PolarHBondContact O-N 3.1Å
235	S	88.3	Confident	83.8	Confident	30 Å²	30	48.7 Å²	48.7	21%	0.21	27%	0.273	C	S	.	.	H	α-helix	trans	-67.3	-21.3	176.2	81.5	0	0	0	0	113.5	L231 D232 M233 K239	L231-S235 PolarHBondContact N-OG 2.76Å; D232-S235 PolarHBondContact N-OG 2.96Å; D232-S235 VanDerWaalsContact N-OG 3.15Å; D232-S235 WeakPolarHBondContact O-CB 3.36Å; D232-S235 PolarHBondContact O-N 3.27Å; D232-S235 VanDerWaalsContact O-N 3.15Å; D232-S235 PolarHBondContact O-OG 2.93Å; D232-S235 PolarHBondContact OD1-N 2.87Å; M233-S235 VanDerWaalsContact C-N 3.31Å; M233-S235 PolarHBondContact O-N 3.43Å; S235-K239 WeakPolarHBondContact O-CG 3.49Å
236	L	89.4	Confident	84.8	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-79.9	-56.1	167.1	-69.5	168.2	0	0	0	111.2	C118 V122 I215 L218 L230 D232 M233 G234 I238 K239	C118-L236 HydrophobicContact CB-CD2 4.1Å; V122-L236 HydrophobicContact CG2-CD1 4.16Å; I215-L236 HydrophobicContact CD1-CD1 3.66Å; L218-L236 HydrophobicContact CD2-CD1 3.8Å; L218-L236 HydrophobicContact CD2-CD2 3.95Å; L218-L236 HydrophobicContact CD2-CG 4.47Å; L230-L236 HydrophobicContact CD1-CD2 3.62Å; L230-L236 HydrophobicContact CD1-CG 4.09Å; L230-L236 HydrophobicContact CD2-CD2 4.02Å; L230-L236 HydrophobicContact CD2-CG 4.34Å; L230-L236 HydrophobicContact CG-CD2 4.4Å; D232-L236 PolarHBondContact O-N 3.42Å; M233-L236 PolarHBondContact O-N 2.97Å; G234-L236 PolarHBondContact O-N 3.42Å; L236-I238 PolarHBondContact O-N 3.16Å; L236-K239 WeakPolarHBondContact O-CB 3.17Å; L236-K239 PolarHBondContact O-N 3.28Å
237	L	93.3	Very high	86.1	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.7	-24.5	-174.3	-65.8	-179.9	0	0	0	113.7	L137 F138 M141 Y187 H191 L198 M233 G234	L137-L237 HydrophobicContact CD1-CD1 4.02Å; L137-L237 WeakPolarHBondContact O-CD2 3.49Å; F138-L237 HydrophobicContact CD1-CD2 3.54Å; F138-L237 HydrophobicContact CE1-CD2 3.85Å; F138-L237 HydrophobicContact CG-CD2 4.25Å; M141-L237 HydrophobicContact CE-CD2 4.09Å; Y187-L237 WeakPolarHBondContact CE1-O 3.38Å; Y187-L237 PolarHBondContact OH-O 2.84Å; H191-L237 PolarHBondContact CE1-O 3.25Å; H191-L237 PolarHBondContact ND1-O 2.84Å; L198-L237 HydrophobicContact CD2-CD1 4.1Å; M233-L237 WeakPolarHBondContact O-CG 3.19Å; M233-L237 PolarHBondContact O-N 3.47Å; M233-L237 VanDerWaalsContact O-N 3.13Å; G234-L237 PolarHBondContact O-N 3.45Å
238	I	93.3	Very high	87.5	Confident	51 Å²	51	45.3 Å²	45.3	26%	0.262	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-16.4	178.4	-162.2	63.6	0	0	0	113.8	H191 G234 L236 V241 Q242	H191-I238 VanDerWaalsContact NE2-CD1 3.27Å; H191-I238 WeakPolarHBondContact NE2-CD1 3.41Å; G234-I238 WeakPolarHBondContact O-CB 3.42Å; G234-I238 VanDerWaalsContact O-CG2 3.28Å; G234-I238 WeakPolarHBondContact O-CG2 3.31Å; G234-I238 PolarHBondContact O-N 3.1Å; L236-I238 PolarHBondContact O-N 3.16Å; I238-V241 HydrophobicContact CD1-CB 4.09Å; I238-V241 HydrophobicContact CD1-CG1 4.45Å; I238-V241 HydrophobicContact CD1-CG2 4.35Å; I238-V241 PolarHBondContact O-N 2.9Å; I238-Q242 HydrophobicContact CG1-CG 4.16Å; I238-Q242 PolarHBondContact O-N 2.76Å
239	K	93.5	Very high	89.3	Confident	31 Å²	31	46.7 Å²	46.7	14%	0.135	24%	0.243	C	C	.	.	H	α-helix	trans	-55.6	-45.9	-173.9	-71.5	175.2	-174.2	-82.8	0	113.3	Y111 D114 S235 L236 V241 Q242 R243	Y111-K239 HydrophobicContact CD2-CB 4.42Å; Y111-K239 HydrophobicContact CE2-CB 4.12Å; D114-K239 HydrophobicContact CB-CD 3.91Å; D114-K239 IonicContact OD2-NZ 3.26Å; D114-K239 PolarHBondContact OD2-NZ 3.38Å; S235-K239 WeakPolarHBondContact O-CG 3.49Å; L236-K239 WeakPolarHBondContact O-CB 3.17Å; L236-K239 PolarHBondContact O-N 3.28Å; K239-V241 PolarHBondContact O-N 2.76Å; K239-Q242 WeakPolarHBondContact O-CB 3.39Å; K239-Q242 PolarHBondContact O-N 3.37Å; K239-Q242 VanDerWaalsContact O-N 3.13Å; K239-R243 PolarHBondContact O-N 3.37Å
240	P	96.6	Very high	90.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.7	-39	178.5	-27.1	38.6	0	0	0	114.1	Y111 L115 V144 Y184 Y187 Q242 R243 I244	Y111-P240 WeakPolarHBondContact OH-CA 3.39Å; L115-P240 HydrophobicContact CD2-CG 4.18Å; V144-P240 HydrophobicContact CG1-CB 3.95Å; V144-P240 HydrophobicContact CG1-CG 3.98Å; Y184-P240 HydrophobicContact CD1-CB 4.22Å; Y184-P240 HydrophobicContact CE1-CB 3.88Å; Y184-P240 WeakPolarHBondContact CE1-O 3.42Å; Y187-P240 HydrophobicContact CD1-CB 3.82Å; Y187-P240 HydrophobicContact CD1-CG 4.29Å; Y187-P240 HydrophobicContact CD2-CG 4.49Å; Y187-P240 HydrophobicContact CE1-CB 3.74Å; Y187-P240 HydrophobicContact CE1-CG 3.78Å; Y187-P240 HydrophobicContact CE2-CB 4.49Å; Y187-P240 HydrophobicContact CE2-CG 4Å; Y187-P240 HydrophobicContact CG-CB 4.27Å; P240-Q242 PolarHBondContact O-N 3.06Å; P240-R243 PolarHBondContact O-N 2.9Å; P240-I244 PolarHBondContact O-N 3.09Å; P240-I244 VanDerWaalsContact O-N 3.12Å
241	V	95.6	Very high	92.6	Very high	14 Å²	14	40.4 Å²	40.4	9%	0.085	21%	0.21	C	C	.	.	H	α-helix	trans	-63.9	-32.6	176.2	-169	0	0	0	0	110.6	Y187 H191 I238 K239 M245	Y187-V241 HydrophobicContact CD1-CG2 4.2Å; Y187-V241 HydrophobicContact CE1-CG2 4.06Å; H191-V241 HydrophobicContact CB-CG2 4.4Å; I238-V241 HydrophobicContact CD1-CB 4.09Å; I238-V241 HydrophobicContact CD1-CG1 4.45Å; I238-V241 HydrophobicContact CD1-CG2 4.35Å; I238-V241 PolarHBondContact O-N 2.9Å; K239-V241 PolarHBondContact O-N 2.76Å; V241-M245 WeakPolarHBondContact O-CG 3.33Å
242	Q	95.3	Very high	94.1	Very high	93 Å²	93	34.5 Å²	34.5	44%	0.435	18%	0.183	S	C	.	.	H	α-helix	trans	-75.1	-40.8	173.3	-66.3	177	5.9	0	0	112.8	I238 K239 P240 M245 K246	I238-Q242 HydrophobicContact CG1-CG 4.16Å; I238-Q242 PolarHBondContact O-N 2.76Å; K239-Q242 WeakPolarHBondContact O-CB 3.39Å; K239-Q242 PolarHBondContact O-N 3.37Å; K239-Q242 VanDerWaalsContact O-N 3.13Å; P240-Q242 PolarHBondContact O-N 3.06Å; Q242-M245 PolarHBondContact O-N 2.94Å; Q242-K246 WeakPolarHBondContact O-CG 3.26Å; Q242-K246 PolarHBondContact O-N 2.91Å
243	R	97.4	Very high	94.8	Very high	8 Å²	8	34.4 Å²	34.4	3%	0.03	18%	0.18	C	C	.	.	H	α-helix	trans	-66	-46.1	-177.3	-169.5	76.6	-175.2	156.1	10.2	111.9	L104 T107 E108 Y111 K239 P240 M245 K246 Y247	L104-R243 PolarHBondContact O-NH2 3.2Å; T107-R243 VanDerWaalsContact C-NH1 3.27Å; T107-R243 VanDerWaalsContact CB-NH1 3.31Å; T107-R243 PolarHBondContact O-NH1 2.8Å; T107-R243 PolarHBondContact OG1-NH1 3.24Å; E108-R243 IonicContact OE2-CZ 3.26Å; E108-R243 IonicContact OE2-NE 3.25Å; E108-R243 PolarHBondContact OE2-NE 3.32Å; E108-R243 IonicContact OE2-NH2 3.04Å; E108-R243 PolarHBondContact OE2-NH2 3.42Å; Y111-R243 HydrophobicContact CD1-CB 4.23Å; Y111-R243 HydrophobicContact CD1-CG 3.63Å; Y111-R243 HydrophobicContact CD2-CB 4.02Å; Y111-R243 HydrophobicContact CD2-CG 4.23Å; Y111-R243 HydrophobicContact CE1-CB 3.92Å; Y111-R243 HydrophobicContact CE1-CG 3.6Å; Y111-R243 HydrophobicContact CE2-CB 3.7Å; Y111-R243 HydrophobicContact CE2-CG 4.21Å; Y111-R243 HydrophobicContact CG-CB 4.26Å; Y111-R243 HydrophobicContact CG-CG 3.94Å; K239-R243 PolarHBondContact O-N 3.37Å; P240-R243 PolarHBondContact O-N 2.9Å; R243-M245 PolarHBondContact O-N 3.38Å; R243-K246 WeakPolarHBondContact O-CB 3.25Å; R243-K246 PolarHBondContact O-N 3.36Å; R243-Y247 HydrophobicContact CG-CE1 4.25Å; R243-Y247 HydrophobicContact CG-CE2 4.06Å; R243-Y247 WeakPolarHBondContact CG-OH 3.21Å; R243-Y247 PolarHBondContact O-N 3.09Å
244	I	96.8	Very high	95.2	Very high	6 Å²	6	34 Å²	34	3%	0.031	18%	0.178	C	C	.	.	H	α-helix	trans	-59.8	-31.7	179.5	-162.6	64.5	0	0	0	112.5	Y184 P240 Y247 I278 N279 I282	Y184-I244 HydrophobicContact CD1-CB 3.67Å; Y184-I244 HydrophobicContact CD1-CD1 4.17Å; Y184-I244 HydrophobicContact CD1-CG1 4.12Å; Y184-I244 HydrophobicContact CD1-CG2 4.23Å; Y184-I244 HydrophobicContact CD2-CD1 4.15Å; Y184-I244 HydrophobicContact CE1-CB 4.12Å; Y184-I244 HydrophobicContact CG-CB 4.2Å; Y184-I244 HydrophobicContact CG-CD1 3.88Å; Y184-I244 HydrophobicContact CG-CG1 4.13Å; P240-I244 PolarHBondContact O-N 3.09Å; P240-I244 VanDerWaalsContact O-N 3.12Å; I244-Y247 HydrophobicContact CD1-CD2 4.1Å; I244-Y247 HydrophobicContact CD1-CE2 4.18Å; I244-I278 HydrophobicContact CD1-CG2 4.03Å; I244-I278 HydrophobicContact CG1-CG2 4.28Å; I244-N279 PolarHBondContact O-ND2 3.49Å; I244-N279 PolarHBondContact O-OD1 2.96Å; I244-I282 HydrophobicContact CG1-CD1 3.98Å
245	M	94.7	Very high	95.6	Very high	100 Å²	100	35.5 Å²	35.5	49%	0.493	18%	0.179	S	C	.	.	H	α-helix	trans	-78.6	-15.7	174.8	-67.3	-176.8	69.8	0	0	114.2	V241 Q242 R243 N279	V241-M245 WeakPolarHBondContact O-CG 3.33Å; Q242-M245 PolarHBondContact O-N 2.94Å; R243-M245 PolarHBondContact O-N 3.38Å; M245-N279 WeakPolarHBondContact CA-OD1 3.43Å; M245-N279 WeakPolarHBondContact CG-OD1 3.34Å
246	K	97.1	Very high	96	Very high	97 Å²	97	39.4 Å²	39.4	42%	0.422	19%	0.194	S	C	.	.	H	α-helix	trans	-85.1	-31.5	178.4	-77.7	177.1	178.5	-173.8	0	113.4	Q242 R243 L249 L250	Q242-K246 WeakPolarHBondContact O-CG 3.26Å; Q242-K246 PolarHBondContact O-N 2.91Å; R243-K246 WeakPolarHBondContact O-CB 3.25Å; R243-K246 PolarHBondContact O-N 3.36Å; K246-L249 WeakPolarHBondContact O-CA 3.18Å; K246-L249 WeakPolarHBondContact O-CB 3.19Å; K246-L249 PolarHBondContact O-N 3.41Å; K246-L250 HydrophobicContact CB-CD1 4.44Å; K246-L250 PolarHBondContact O-N 3.33Å; K246-L250 VanDerWaalsContact O-N 3.07Å
247	Y	98.1	Very high	96.3	Very high	3 Å²	3	39.4 Å²	39.4	1%	0.012	19%	0.194	C	C	.	.	H	α-helix	trans	-54.1	-42.7	-178.4	-59.8	-58.1	0	0	0	114.1	E108 L151 F173 L180 R243 I244 L249 L250 L251	E108-Y247 PolarHBondContact OE1-OH 3.33Å; E108-Y247 VanDerWaalsContact OE2-CE1 3.24Å; E108-Y247 WeakPolarHBondContact OE2-CE1 3.27Å; E108-Y247 PolarHBondContact OE2-OH 3.15Å; L151-Y247 HydrophobicContact CD2-CE1 3.92Å; F173-Y247 AromaticContact CE1-CD1 3.45Å; F173-Y247 HydrophobicContact CE1-CD1 3.45Å; F173-Y247 VanDerWaalsContact CE1-CD1 3.45Å; F173-Y247 AromaticContact CE1-CE1 3.82Å; F173-Y247 HydrophobicContact CE1-CE1 3.82Å; F173-Y247 AromaticContact CE1-CG 3.85Å; F173-Y247 HydrophobicContact CE1-CG 3.85Å; F173-Y247 AromaticContact CZ-CD1 3.65Å; F173-Y247 HydrophobicContact CZ-CD1 3.65Å; F173-Y247 AromaticContact CZ-CE1 3.93Å; F173-Y247 HydrophobicContact CZ-CE1 3.93Å; F173-Y247 HydrophobicContact CZ-CG 4.45Å; L180-Y247 HydrophobicContact CD2-CE2 4.05Å; R243-Y247 HydrophobicContact CG-CE1 4.25Å; R243-Y247 HydrophobicContact CG-CE2 4.06Å; R243-Y247 WeakPolarHBondContact CG-OH 3.21Å; R243-Y247 PolarHBondContact O-N 3.09Å; I244-Y247 HydrophobicContact CD1-CD2 4.1Å; I244-Y247 HydrophobicContact CD1-CE2 4.18Å; Y247-L249 PolarHBondContact O-N 2.79Å; Y247-L250 PolarHBondContact O-N 3.46Å; Y247-L251 VanDerWaalsContact O-CB 3.28Å; Y247-L251 WeakPolarHBondContact O-CB 3.13Å; Y247-L251 WeakPolarHBondContact O-CG 3.36Å; Y247-L251 PolarHBondContact O-N 2.91Å
248	P	97	Very high	96.4	Very high	22 Å²	22	39.4 Å²	39.4	14%	0.143	19%	0.194	C	C	.	.	H	α-helix	trans	-65	-18.9	175.8	-21.2	33.5	0	0	0	114.9	G252 L272 A275 K276	P248-G252 PolarHBondContact O-N 3Å; P248-L272 HydrophobicContact CB-CD1 4.44Å; P248-L272 WeakPolarHBondContact O-CD1 3.47Å; P248-A275 HydrophobicContact CG-CB 3.92Å; P248-K276 HydrophobicContact CB-CG 4.16Å
249	L	96.4	Very high	96.5	Very high	124 Å²	124	37.2 Å²	37.2	65%	0.649	18%	0.183	S	C	*	.	H	α-helix	trans	-84.3	-50.2	176.5	-53.6	178.6	0	0	0	109.8	K246 Y247 G252 E253	K246-L249 WeakPolarHBondContact O-CA 3.18Å; K246-L249 WeakPolarHBondContact O-CB 3.19Å; K246-L249 PolarHBondContact O-N 3.41Å; Y247-L249 PolarHBondContact O-N 2.79Å; L249-G252 WeakPolarHBondContact O-CA 3.43Å; L249-G252 PolarHBondContact O-N 3.2Å; L249-G252 VanDerWaalsContact O-N 3.13Å; L249-E253 PolarHBondContact O-N 2.83Å
250	L	97.3	Very high	96.5	Very high	20 Å²	20	42.4 Å²	42.4	11%	0.105	21%	0.208	C	C	.	.	H	α-helix	trans	-63.8	-44.7	179.4	-64.7	169.5	0	0	0	111.9	L104 K246 Y247 G252 E253 L254	L104-L250 HydrophobicContact CD1-CB 4.06Å; L104-L250 HydrophobicContact CD1-CD1 3.83Å; K246-L250 HydrophobicContact CB-CD1 4.44Å; K246-L250 PolarHBondContact O-N 3.33Å; K246-L250 VanDerWaalsContact O-N 3.07Å; Y247-L250 PolarHBondContact O-N 3.46Å; L250-G252 VanDerWaalsContact C-N 3.29Å; L250-G252 PolarHBondContact O-N 2.83Å; L250-E253 PolarHBondContact O-N 2.95Å; L250-L254 VanDerWaalsContact O-CB 3.28Å; L250-L254 WeakPolarHBondContact O-CB 3.41Å; L250-L254 PolarHBondContact O-N 3.28Å
251	L	98.1	Very high	96.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-66.3	-32.4	172.9	-69.1	169.5	0	0	0	112	F173 Y247 W255 L268 A271 L272 A275	F173-L251 HydrophobicContact CB-CD1 4.43Å; F173-L251 HydrophobicContact CD1-CD1 4.04Å; F173-L251 HydrophobicContact CD2-CD1 4.38Å; F173-L251 HydrophobicContact CD2-CD2 3.74Å; F173-L251 HydrophobicContact CE1-CD1 4.42Å; F173-L251 HydrophobicContact CE2-CD2 4.01Å; F173-L251 HydrophobicContact CG-CD1 4.02Å; F173-L251 HydrophobicContact CG-CD2 4.17Å; Y247-L251 VanDerWaalsContact O-CB 3.28Å; Y247-L251 WeakPolarHBondContact O-CB 3.13Å; Y247-L251 WeakPolarHBondContact O-CG 3.36Å; Y247-L251 PolarHBondContact O-N 2.91Å; L251-W255 VanDerWaalsContact O-CB 3.28Å; L251-W255 WeakPolarHBondContact O-CB 3.14Å; L251-W255 PolarHBondContact O-N 2.81Å; L251-L268 HydrophobicContact CD2-CD2 3.96Å; L251-A271 HydrophobicContact CD1-CB 4.2Å; L251-A271 HydrophobicContact CD2-CB 4.39Å; L251-L272 HydrophobicContact CB-CB 4.25Å; L251-L272 HydrophobicContact CB-CD1 4.15Å; L251-A275 HydrophobicContact CD1-CB 3.96Å
252	G	97.2	Very high	96.2	Very high	18 Å²	18	46.9 Å²	46.9	19%	0.186	23%	0.231	C	C	.	.	H	α-helix	trans	-65.6	-44.9	176.6	0	0	0	0	0	112.1	P248 L249 L250 Q256	P248-G252 PolarHBondContact O-N 3Å; L249-G252 WeakPolarHBondContact O-CA 3.43Å; L249-G252 PolarHBondContact O-N 3.2Å; L249-G252 VanDerWaalsContact O-N 3.13Å; L250-G252 VanDerWaalsContact C-N 3.29Å; L250-G252 PolarHBondContact O-N 2.83Å; G252-Q256 VanDerWaalsContact O-CG 3.26Å; G252-Q256 WeakPolarHBondContact O-CG 3.34Å; G252-Q256 PolarHBondContact O-N 3.37Å
253	E	97.6	Very high	96.1	Very high	79 Å²	79	50.2 Å²	50.2	37%	0.369	24%	0.244	S	C	.	.	H	α-helix	trans	-70.7	-38.6	174.7	-177	161.8	-176.4	0	0	112.2	R96 V100 L249 L250 W255 Q256 A257	R96-E253 IonicContact CZ-OE1 2.63Å; R96-E253 VanDerWaalsContact CZ-OE1 3.26Å; R96-E253 IonicContact NE-OE1 2.67Å; R96-E253 PolarHBondContact NE-OE1 3.34Å; R96-E253 VanDerWaalsContact NH2-CD 3.31Å; R96-E253 IonicContact NH2-OE1 3.59Å; R96-E253 PolarHBondContact NH2-OE1 2.67Å; V100-E253 HydrophobicContact CG1-CB 4.37Å; V100-E253 HydrophobicContact CG1-CG 4.25Å; V100-E253 HydrophobicContact CG2-CG 3.79Å; L249-E253 PolarHBondContact O-N 2.83Å; L250-E253 PolarHBondContact O-N 2.95Å; E253-W255 PolarHBondContact O-N 3.35Å; E253-Q256 PolarHBondContact O-N 3.33Å; E253-A257 WeakPolarHBondContact O-CB 3.47Å; E253-A257 PolarHBondContact O-N 2.94Å
254	L	97.8	Very high	96	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.9	-43	178.3	-176.5	53	0	0	0	111.8	R97 V100 I101 L104 M169 L250 A257 T258 L268	R97-L254 HydrophobicContact CG-CD1 3.65Å; V100-L254 HydrophobicContact CB-CD1 4.25Å; V100-L254 HydrophobicContact CG1-CB 3.8Å; V100-L254 HydrophobicContact CG1-CD1 4.21Å; I101-L254 HydrophobicContact CD1-CD1 4.15Å; I101-L254 HydrophobicContact CG1-CD1 3.57Å; I101-L254 HydrophobicContact CG1-CD2 4.09Å; L104-L254 HydrophobicContact CD2-CD2 3.94Å; M169-L254 HydrophobicContact CB-CD2 3.87Å; M169-L254 HydrophobicContact CG-CD2 4.25Å; L250-L254 VanDerWaalsContact O-CB 3.28Å; L250-L254 WeakPolarHBondContact O-CB 3.41Å; L250-L254 PolarHBondContact O-N 3.28Å; L254-A257 PolarHBondContact O-N 2.72Å; L254-T258 PolarHBondContact O-N 3.42Å; L254-T258 VanDerWaalsContact O-N 3.17Å; L254-T258 PolarHBondContact O-OG1 2.86Å; L254-L268 HydrophobicContact CB-CD2 4.4Å; L254-L268 HydrophobicContact CD2-CD2 3.7Å; L254-L268 HydrophobicContact CG-CD1 3.93Å; L254-L268 HydrophobicContact CG-CD2 3.86Å
255	W	97.9	Very high	96	Very high	49 Å²	49	51.6 Å²	51.6	19%	0.186	25%	0.249	C	C	.	.	H	α-helix	trans	-60.7	-46	173.3	-177.9	60.1	0	0	0	111.9	L251 E253 A257 T258 Y265 L268 Q269 L272	L251-W255 VanDerWaalsContact O-CB 3.28Å; L251-W255 WeakPolarHBondContact O-CB 3.14Å; L251-W255 PolarHBondContact O-N 2.81Å; E253-W255 PolarHBondContact O-N 3.35Å; W255-A257 PolarHBondContact O-N 3.04Å; W255-T258 PolarHBondContact O-N 2.92Å; W255-T258 VanDerWaalsContact O-N 3.09Å; W255-Y265 AromaticContact CD1-CD2 3.78Å; W255-Y265 AromaticContact CD1-CE2 3.77Å; W255-Y265 VanDerWaalsContact CD1-O 3.3Å; W255-Y265 AromaticContact CE2-CE2 3.79Å; W255-Y265 AromaticContact CE2-CZ 3.74Å; W255-Y265 HydrophobicContact CZ2-CE1 4.44Å; W255-Y265 HydrophobicContact CZ2-CE2 4.26Å; W255-Y265 AromaticContact CZ2-CZ 3.79Å; W255-Y265 WeakPolarHBondContact CZ2-OH 3.43Å; W255-Y265 AromaticContact NE1-CD2 3.56Å; W255-Y265 AromaticContact NE1-CE1 3.81Å; W255-Y265 AromaticContact NE1-CE2 3.23Å; W255-Y265 AromaticContact NE1-CG 3.98Å; W255-Y265 AromaticContact NE1-CZ 3.38Å; W255-Y265 PolarHBondContact NE1-O 3.49Å; W255-L268 HydrophobicContact CB-CB 4.1Å; W255-L268 HydrophobicContact CG-CB 4.34Å; W255-Q269 HydrophobicContact CZ2-CG 4.22Å; W255-L272 HydrophobicContact CD2-CD2 4.46Å; W255-L272 HydrophobicContact CE3-CD2 4.04Å
256	Q	96.3	Very high	96.2	Very high	112 Å²	112	52.5 Å²	52.5	52%	0.523	26%	0.256	S	S	.	.	H	α-helix	trans	-66.7	-23.6	176.6	-70.4	-70.5	-59.5	0	0	113.8	G252 E253	G252-Q256 VanDerWaalsContact O-CG 3.26Å; G252-Q256 WeakPolarHBondContact O-CG 3.34Å; G252-Q256 PolarHBondContact O-N 3.37Å; E253-Q256 PolarHBondContact O-N 3.33Å
257	A	95.3	Very high	96.2	Very high	1 Å²	1	49 Å²	49	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-84.5	-9.8	173.7	0	0	0	0	0	113.7	K93 R96 R97 V100 E253 L254 W255	K93-A257 CarbonylContact C-O 3.53Å; K93-A257 WeakPolarHBondContact CB-O 3.37Å; R96-A257 HydrophobicContact CB-CB 4.02Å; R96-A257 HydrophobicContact CG-CB 3.78Å; R97-A257 HydrophobicContact CB-CB 4.27Å; V100-A257 HydrophobicContact CG2-CB 4.4Å; E253-A257 WeakPolarHBondContact O-CB 3.47Å; E253-A257 PolarHBondContact O-N 2.94Å; L254-A257 PolarHBondContact O-N 2.72Å; W255-A257 PolarHBondContact O-N 3.04Å
258	T	95.9	Very high	96.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	-93.8	139.6	-174.8	-59.5	0	0	0	0	110.9	K93 R97 L254 W255 H262 Y265 L268	K93-T258 PolarHBondContact NZ-O 3.14Å; R97-T258 WeakPolarHBondContact CD-OG1 3.35Å; R97-T258 PolarHBondContact NE-OG1 3.11Å; L254-T258 PolarHBondContact O-N 3.42Å; L254-T258 VanDerWaalsContact O-N 3.17Å; L254-T258 PolarHBondContact O-OG1 2.86Å; W255-T258 PolarHBondContact O-N 2.92Å; W255-T258 VanDerWaalsContact O-N 3.09Å; T258-H262 HydrophobicContact CG2-CB 3.8Å; T258-Y265 HydrophobicContact CG2-CD2 4.48Å; T258-L268 HydrophobicContact CG2-CD1 4.28Å; T258-L268 WeakPolarHBondContact OG1-CD1 3.27Å
259	P	94.3	Very high	96.2	Very high	4 Å²	4	51.9 Å²	51.9	3%	0.026	25%	0.254	C	S	.	.			trans	-59.8	156.1	169	-22.3	33.8	0	0	0	111.8	R90 K93 M94 D261 H262 Y265	R90-P259 HydrophobicContact CG-CB 4.38Å; R90-P259 HydrophobicContact CG-CG 3.92Å; K93-P259 HydrophobicContact CB-CG 4.36Å; M94-P259 HydrophobicContact CG-CG 3.97Å; M94-P259 HydrophobicContact SD-CG 3.95Å; P259-D261 VanDerWaalsContact C-N 3.33Å; P259-D261 VanDerWaalsContact CB-OD1 3.25Å; P259-D261 WeakPolarHBondContact CB-OD1 3.45Å; P259-H262 HydrophobicContact CB-CB 3.98Å; P259-H262 HydrophobicContact CG-CB 4.19Å; P259-Y265 WeakPolarHBondContact O-CD2 3.29Å
260	E	93.3	Very high	96.3	Very high	141 Å²	141	50.2 Å²	50.2	66%	0.659	24%	0.243	S	C	*	.	S	Bend	trans	-80.2	-19.4	-174.3	-70.7	169.3	-142.9	0	0	112.8	K93 Y265	K93-E260 IonicContact NZ-OE1 3.91Å; E260-Y265 HydrophobicContact CB-CE1 4.5Å; E260-Y265 HydrophobicContact CG-CD2 4.42Å; E260-Y265 HydrophobicContact CG-CE1 4.26Å; E260-Y265 HydrophobicContact CG-CE2 3.83Å
261	D	91.5	Very high	96.3	Very high	103 Å²	103	49.3 Å²	49.3	55%	0.551	24%	0.239	S	C	*	.	S	Bend	trans	-93.7	-11.8	175.7	64.3	-63.7	0	0	0	113.7	R90 P259	R90-D261 IonicContact CZ-OD2 3.09Å; R90-D261 VanDerWaalsContact CZ-OD2 3.25Å; R90-D261 IonicContact NH1-OD1 2.77Å; R90-D261 PolarHBondContact NH1-OD1 3.47Å; R90-D261 IonicContact NH1-OD2 2.7Å; R90-D261 PolarHBondContact NH1-OD2 3.38Å; R90-D261 IonicContact NH2-OD2 3.11Å; R90-D261 PolarHBondContact NH2-OD2 2.92Å; P259-D261 VanDerWaalsContact C-N 3.33Å; P259-D261 VanDerWaalsContact CB-OD1 3.25Å; P259-D261 WeakPolarHBondContact CB-OD1 3.45Å
262	H	94.4	Very high	96.3	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.019	24%	0.241	C	C	.	.	S	Bend	trans	-70.9	132.7	179.4	178.2	-63.2	0	0	0	110.3	M94 R97 E165 T258 P259 D264 Y265	M94-H262 VanDerWaalsContact SD-CD2 3.6Å; R97-H262 VanDerWaalsContact CZ-NE2 3.29Å; R97-H262 PolarHBondContact NH1-CE1 2.82Å; R97-H262 PolarHBondContact NH1-NE2 2.75Å; E165-H262 IonicContact OE2-CD2 3.92Å; E165-H262 PolarHBondContact OE2-CD2 2.91Å; E165-H262 IonicContact OE2-CG 2.66Å; T258-H262 HydrophobicContact CG2-CB 3.8Å; P259-H262 HydrophobicContact CB-CB 3.98Å; P259-H262 HydrophobicContact CG-CB 4.19Å; H262-D264 VanDerWaalsContact C-N 3.27Å; H262-D264 VanDerWaalsContact CE1-CB 3.46Å; H262-D264 WeakPolarHBondContact CE1-CB 3.44Å; H262-D264 WeakPolarHBondContact ND1-CB 3.33Å; H262-D264 PolarHBondContact ND1-N 3.24Å; H262-D264 PolarHBondContact O-N 3.42Å; H262-Y265 VanDerWaalsContact O-CB 3.24Å; H262-Y265 WeakPolarHBondContact O-CB 3.44Å; H262-Y265 PolarHBondContact O-N 2.86Å
263	F	93.7	Very high	96.3	Very high	163 Å²	163	52 Å²	52	72%	0.715	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-41	-170.7	-57.6	-74.2	0	0	0	114.5	Y265 P267	F263-Y265 PolarHBondContact O-N 2.81Å; F263-P267 WeakPolarHBondContact O-CD 3.36Å
264	D	96.4	Very high	96.2	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-10.2	177.3	-160.3	29.1	0	0	0	115.5	R97 V168 M169 G170 H262 L266 L268	R97-D264 IonicContact CZ-OD2 3.59Å; R97-D264 IonicContact NH2-OD2 3.96Å; R97-D264 PolarHBondContact NH2-OD2 3.23Å; V168-D264 HydrophobicContact CG1-CB 4.37Å; V168-D264 VanDerWaalsContact CG1-OD1 3.27Å; V168-D264 WeakPolarHBondContact CG1-OD1 3.25Å; V168-D264 HydrophobicContact CG2-CB 4.41Å; M169-D264 PolarHBondContact N-OD1 3.48Å; M169-D264 PolarHBondContact N-OD2 3.37Å; G170-D264 PolarHBondContact N-OD1 3.25Å; H262-D264 VanDerWaalsContact C-N 3.27Å; H262-D264 VanDerWaalsContact CE1-CB 3.46Å; H262-D264 WeakPolarHBondContact CE1-CB 3.44Å; H262-D264 WeakPolarHBondContact ND1-CB 3.33Å; H262-D264 PolarHBondContact ND1-N 3.24Å; H262-D264 PolarHBondContact O-N 3.42Å; D264-L266 PolarHBondContact O-N 2.97Å; D264-L268 HydrophobicContact CB-CD1 4.26Å; D264-L268 VanDerWaalsContact O-CB 3.24Å; D264-L268 WeakPolarHBondContact O-CB 3.48Å; D264-L268 WeakPolarHBondContact O-CD1 3.1Å; D264-L268 WeakPolarHBondContact O-CG 3.46Å; D264-L268 PolarHBondContact O-N 2.79Å; D264-L268 WeakPolarHBondContact OD2-CD1 3.39Å
265	Y	96.7	Very high	96.1	Very high	44 Å²	44	49.3 Å²	49.3	17%	0.173	24%	0.243	C	C	.	.	H	α-helix	trans	-62.9	-45.1	-173.8	-175.5	-100.5	0	0	0	113.5	W255 T258 P259 E260 H262 F263 Q269	W255-Y265 AromaticContact CD1-CD2 3.78Å; W255-Y265 AromaticContact CD1-CE2 3.77Å; W255-Y265 VanDerWaalsContact CD1-O 3.3Å; W255-Y265 AromaticContact CE2-CE2 3.79Å; W255-Y265 AromaticContact CE2-CZ 3.74Å; W255-Y265 HydrophobicContact CZ2-CE1 4.44Å; W255-Y265 HydrophobicContact CZ2-CE2 4.26Å; W255-Y265 AromaticContact CZ2-CZ 3.79Å; W255-Y265 WeakPolarHBondContact CZ2-OH 3.43Å; W255-Y265 AromaticContact NE1-CD2 3.56Å; W255-Y265 AromaticContact NE1-CE1 3.81Å; W255-Y265 AromaticContact NE1-CE2 3.23Å; W255-Y265 AromaticContact NE1-CG 3.98Å; W255-Y265 AromaticContact NE1-CZ 3.38Å; W255-Y265 PolarHBondContact NE1-O 3.49Å; T258-Y265 HydrophobicContact CG2-CD2 4.48Å; P259-Y265 WeakPolarHBondContact O-CD2 3.29Å; E260-Y265 HydrophobicContact CB-CE1 4.5Å; E260-Y265 HydrophobicContact CG-CD2 4.42Å; E260-Y265 HydrophobicContact CG-CE1 4.26Å; E260-Y265 HydrophobicContact CG-CE2 3.83Å; H262-Y265 VanDerWaalsContact O-CB 3.24Å; H262-Y265 WeakPolarHBondContact O-CB 3.44Å; H262-Y265 PolarHBondContact O-N 2.86Å; F263-Y265 PolarHBondContact O-N 2.81Å; Y265-Q269 PolarHBondContact O-N 3.14Å
266	L	97.1	Very high	95.8	Very high	119 Å²	119	51.9 Å²	51.9	62%	0.623	26%	0.255	S	S	*	.	H	α-helix	trans	-74.5	-45.2	176.9	-66.5	174.6	0	0	0	112.5	D264 L268 Q269 E270	D264-L266 PolarHBondContact O-N 2.97Å; L266-L268 VanDerWaalsContact C-N 3.31Å; L266-L268 PolarHBondContact O-N 2.82Å; L266-Q269 WeakPolarHBondContact O-CB 3.44Å; L266-Q269 PolarHBondContact O-N 2.82Å; L266-E270 PolarHBondContact O-N 3.34Å
267	P	97.6	Very high	95.5	Very high	24 Å²	24	50.7 Å²	50.7	16%	0.156	25%	0.251	C	S	.	.	H	α-helix	trans	-52.6	-42.7	169.1	-30.7	36.9	0	0	0	113.9	V168 I174 F263 Q269 E270 A271	V168-P267 HydrophobicContact CG1-CB 4.16Å; V168-P267 HydrophobicContact CG1-CG 4.22Å; I174-P267 HydrophobicContact CD1-CB 4.16Å; F263-P267 WeakPolarHBondContact O-CD 3.36Å; P267-Q269 VanDerWaalsContact C-N 3.32Å; P267-Q269 PolarHBondContact O-N 2.75Å; P267-E270 PolarHBondContact O-N 2.98Å; P267-A271 VanDerWaalsContact O-CB 3.25Å; P267-A271 WeakPolarHBondContact O-CB 3.32Å; P267-A271 PolarHBondContact O-N 3.26Å
268	L	98.3	Very high	95.4	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.5	-35.7	175.3	-75.4	169.5	0	0	0	112.3	M169 L251 L254 W255 T258 D264 L266 L272	M169-L268 HydrophobicContact CB-CD2 4.38Å; L251-L268 HydrophobicContact CD2-CD2 3.96Å; L254-L268 HydrophobicContact CB-CD2 4.4Å; L254-L268 HydrophobicContact CD2-CD2 3.7Å; L254-L268 HydrophobicContact CG-CD1 3.93Å; L254-L268 HydrophobicContact CG-CD2 3.86Å; W255-L268 HydrophobicContact CB-CB 4.1Å; W255-L268 HydrophobicContact CG-CB 4.34Å; T258-L268 HydrophobicContact CG2-CD1 4.28Å; T258-L268 WeakPolarHBondContact OG1-CD1 3.27Å; D264-L268 HydrophobicContact CB-CD1 4.26Å; D264-L268 VanDerWaalsContact O-CB 3.24Å; D264-L268 WeakPolarHBondContact O-CB 3.48Å; D264-L268 WeakPolarHBondContact O-CD1 3.1Å; D264-L268 WeakPolarHBondContact O-CG 3.46Å; D264-L268 PolarHBondContact O-N 2.79Å; D264-L268 WeakPolarHBondContact OD2-CD1 3.39Å; L266-L268 VanDerWaalsContact C-N 3.31Å; L266-L268 PolarHBondContact O-N 2.82Å; L268-L272 WeakPolarHBondContact O-CB 3.48Å; L268-L272 PolarHBondContact O-N 2.94Å
269	Q	97.8	Very high	95	Very high	85 Å²	85	52.6 Å²	52.6	40%	0.397	26%	0.261	S	S	.	.	H	α-helix	trans	-66.7	-41	176	-164.7	-178.1	9.3	0	0	111.9	W255 Y265 L266 P267 T273	W255-Q269 HydrophobicContact CZ2-CG 4.22Å; Y265-Q269 PolarHBondContact O-N 3.14Å; L266-Q269 WeakPolarHBondContact O-CB 3.44Å; L266-Q269 PolarHBondContact O-N 2.82Å; P267-Q269 VanDerWaalsContact C-N 3.32Å; P267-Q269 PolarHBondContact O-N 2.75Å; Q269-T273 WeakPolarHBondContact O-CB 3.47Å; Q269-T273 PolarHBondContact O-N 3.02Å; Q269-T273 PolarHBondContact O-OG1 3.38Å
270	E	97.6	Very high	94.5	Very high	89 Å²	89	56.9 Å²	56.9	42%	0.416	29%	0.287	S	S	.	.	H	α-helix	trans	-67	-50.3	172.2	-166.2	-160	130.2	0	0	110.8	I174 K177 L266 P267 L272 T273 A274	I174-E270 HydrophobicContact CD1-CB 3.96Å; I174-E270 HydrophobicContact CD1-CG 4.39Å; I174-E270 HydrophobicContact CG1-CB 4.36Å; I174-E270 HydrophobicContact CG1-CG 4.45Å; K177-E270 IonicContact NZ-OE1 3.56Å; K177-E270 PolarHBondContact NZ-OE1 2.92Å; L266-E270 PolarHBondContact O-N 3.34Å; P267-E270 PolarHBondContact O-N 2.98Å; E270-L272 VanDerWaalsContact C-N 3.31Å; E270-L272 PolarHBondContact O-N 3.01Å; E270-T273 CarbonylContact O-C 3.58Å; E270-T273 WeakPolarHBondContact O-CA 3.23Å; E270-T273 WeakPolarHBondContact O-CB 3.4Å; E270-T273 PolarHBondContact O-N 2.92Å; E270-A274 PolarHBondContact O-N 3.44Å
271	A	98.1	Very high	94	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-55.5	-44.6	-179.6	0	0	0	0	0	112.3	F173 I174 L251 P267 T273 A274 A275	F173-A271 HydrophobicContact CB-CB 3.78Å; I174-A271 HydrophobicContact CG1-CB 4.24Å; L251-A271 HydrophobicContact CD1-CB 4.2Å; L251-A271 HydrophobicContact CD2-CB 4.39Å; P267-A271 VanDerWaalsContact O-CB 3.25Å; P267-A271 WeakPolarHBondContact O-CB 3.32Å; P267-A271 PolarHBondContact O-N 3.26Å; A271-T273 VanDerWaalsContact C-N 3.29Å; A271-T273 PolarHBondContact O-N 3.18Å; A271-A274 PolarHBondContact O-N 2.99Å; A271-A275 WeakPolarHBondContact O-CB 3.41Å; A271-A275 PolarHBondContact O-N 2.94Å
272	L	97.9	Very high	93.7	Very high	8 Å²	8	49 Å²	49	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-61.5	-36.8	174.1	175.7	58.8	0	0	0	112.2	P248 L251 W255 L268 E270 K276	P248-L272 HydrophobicContact CB-CD1 4.44Å; P248-L272 WeakPolarHBondContact O-CD1 3.47Å; L251-L272 HydrophobicContact CB-CB 4.25Å; L251-L272 HydrophobicContact CB-CD1 4.15Å; W255-L272 HydrophobicContact CD2-CD2 4.46Å; W255-L272 HydrophobicContact CE3-CD2 4.04Å; L268-L272 WeakPolarHBondContact O-CB 3.48Å; L268-L272 PolarHBondContact O-N 2.94Å; E270-L272 VanDerWaalsContact C-N 3.31Å; E270-L272 PolarHBondContact O-N 3.01Å; L272-K276 HydrophobicContact CD1-CD 4.46Å; L272-K276 HydrophobicContact CG-CD 4.44Å; L272-K276 WeakPolarHBondContact O-CD 3.22Å; L272-K276 WeakPolarHBondContact O-CG 3.5Å; L272-K276 PolarHBondContact O-N 3.04Å
273	T	95.9	Very high	93.1	Very high	67 Å²	67	52.9 Å²	52.9	41%	0.411	27%	0.27	S	S	.	.	H	α-helix	trans	-73.6	-43.7	178.4	-59.2	0	0	0	0	111.1	Q269 E270 A271 K276 I277	Q269-T273 WeakPolarHBondContact O-CB 3.47Å; Q269-T273 PolarHBondContact O-N 3.02Å; Q269-T273 PolarHBondContact O-OG1 3.38Å; E270-T273 CarbonylContact O-C 3.58Å; E270-T273 WeakPolarHBondContact O-CA 3.23Å; E270-T273 WeakPolarHBondContact O-CB 3.4Å; E270-T273 PolarHBondContact O-N 2.92Å; A271-T273 VanDerWaalsContact C-N 3.29Å; A271-T273 PolarHBondContact O-N 3.18Å; T273-K276 WeakPolarHBondContact O-CB 3.5Å; T273-K276 PolarHBondContact O-N 3.36Å; T273-I277 HydrophobicContact CG2-CD1 4.06Å; T273-I277 WeakPolarHBondContact O-CG1 3.32Å; T273-I277 PolarHBondContact O-N 2.76Å
274	A	95.8	Very high	92.3	Very high	14 Å²	14	46.7 Å²	46.7	12%	0.116	24%	0.244	C	C	.	.	H	α-helix	trans	-58.8	-49.3	172.5	0	0	0	0	0	111.3	K177 E270 A271 K276 I277 I278	K177-A274 HydrophobicContact CB-CB 4.34Å; K177-A274 HydrophobicContact CD-CB 4.11Å; E270-A274 PolarHBondContact O-N 3.44Å; A271-A274 PolarHBondContact O-N 2.99Å; A274-K276 VanDerWaalsContact C-N 3.26Å; A274-K276 PolarHBondContact O-N 3.3Å; A274-I277 PolarHBondContact O-N 2.76Å; A274-I278 VanDerWaalsContact O-CG1 3.31Å; A274-I278 WeakPolarHBondContact O-CG1 3.08Å; A274-I278 PolarHBondContact O-N 2.78Å
275	A	96.3	Very high	91.3	Very high	8 Å²	8	50 Å²	50	7%	0.066	26%	0.258	C	S	.	.	H	α-helix	trans	-60.5	-33.3	178.1	0	0	0	0	0	113	P248 L251 A271 N279	P248-A275 HydrophobicContact CG-CB 3.92Å; L251-A275 HydrophobicContact CD1-CB 3.96Å; A271-A275 WeakPolarHBondContact O-CB 3.41Å; A271-A275 PolarHBondContact O-N 2.94Å; A275-N279 PolarHBondContact O-N 3.32Å; A275-N279 PolarHBondContact O-ND2 3.26Å
276	K	91.9	Very high	90.4	Very high	103 Å²	103	50.1 Å²	50.1	45%	0.448	26%	0.258	S	S	.	.	H	α-helix	trans	-68	-44.8	171.1	-72.5	163.4	-174.8	166.2	0	111.8	P248 L272 T273 A274 N279 V280	P248-K276 HydrophobicContact CB-CG 4.16Å; L272-K276 HydrophobicContact CD1-CD 4.46Å; L272-K276 HydrophobicContact CG-CD 4.44Å; L272-K276 WeakPolarHBondContact O-CD 3.22Å; L272-K276 WeakPolarHBondContact O-CG 3.5Å; L272-K276 PolarHBondContact O-N 3.04Å; T273-K276 WeakPolarHBondContact O-CB 3.5Å; T273-K276 PolarHBondContact O-N 3.36Å; A274-K276 VanDerWaalsContact C-N 3.26Å; A274-K276 PolarHBondContact O-N 3.3Å; K276-N279 PolarHBondContact O-N 3Å; K276-V280 WeakPolarHBondContact O-CG2 3.49Å; K276-V280 PolarHBondContact O-N 2.95Å; K276-V280 VanDerWaalsContact O-N 3.08Å
277	I	89.4	Confident	89.3	Confident	86 Å²	86	49.4 Å²	49.4	44%	0.441	25%	0.247	S	C	.	.	H	α-helix	trans	-61.2	-47.1	178.1	-70.3	164.9	0	0	0	110.8	T273 A274 N279 V280 N281	T273-I277 HydrophobicContact CG2-CD1 4.06Å; T273-I277 WeakPolarHBondContact O-CG1 3.32Å; T273-I277 PolarHBondContact O-N 2.76Å; A274-I277 PolarHBondContact O-N 2.76Å; I277-N279 VanDerWaalsContact C-N 3.31Å; I277-N279 PolarHBondContact O-N 3.1Å; I277-V280 CarbonylContact O-C 3.46Å; I277-V280 WeakPolarHBondContact O-CA 3.13Å; I277-V280 WeakPolarHBondContact O-CB 3.25Å; I277-V280 PolarHBondContact O-N 3.1Å; I277-N281 PolarHBondContact O-N 3.19Å; I277-N281 PolarHBondContact O-OD1 3.25Å
278	I	92.4	Very high	87.9	Confident	8 Å²	8	52.3 Å²	52.3	4%	0.041	26%	0.255	C	S	.	.	H	α-helix	trans	-54.2	-47.3	176.9	-66.9	171.4	0	0	0	110.9	K177 L180 E181 I244 A274 V280 N281 I282	K177-I278 HydrophobicContact CB-CD1 4.2Å; K177-I278 WeakPolarHBondContact O-CD1 3.26Å; L180-I278 HydrophobicContact CB-CD1 4.29Å; E181-I278 HydrophobicContact CB-CD1 4.38Å; E181-I278 HydrophobicContact CB-CG1 4.02Å; E181-I278 HydrophobicContact CB-CG2 4.2Å; E181-I278 HydrophobicContact CG-CG1 4.34Å; E181-I278 HydrophobicContact CG-CG2 4.24Å; I244-I278 HydrophobicContact CD1-CG2 4.03Å; I244-I278 HydrophobicContact CG1-CG2 4.28Å; A274-I278 VanDerWaalsContact O-CG1 3.31Å; A274-I278 WeakPolarHBondContact O-CG1 3.08Å; A274-I278 PolarHBondContact O-N 2.78Å; I278-V280 VanDerWaalsContact C-N 3.34Å; I278-V280 PolarHBondContact O-N 3.09Å; I278-N281 PolarHBondContact O-N 3.2Å; I278-I282 HydrophobicContact CG2-CD1 3.65Å; I278-I282 HydrophobicContact CG2-CG1 4.34Å; I278-I282 WeakPolarHBondContact O-CB 3.4Å; I278-I282 VanDerWaalsContact O-CG1 3.28Å; I278-I282 WeakPolarHBondContact O-CG1 3.38Å; I278-I282 PolarHBondContact O-N 2.96Å
279	N	88.3	Confident	86.8	Confident	33 Å²	33	53.2 Å²	53.2	18%	0.176	26%	0.259	C	S	.	.	H	α-helix	trans	-64.6	-35	177.7	-83.9	-85.3	0	0	0	113	I244 M245 A275 K276 I277 N283	I244-N279 PolarHBondContact O-ND2 3.49Å; I244-N279 PolarHBondContact O-OD1 2.96Å; M245-N279 WeakPolarHBondContact CA-OD1 3.43Å; M245-N279 WeakPolarHBondContact CG-OD1 3.34Å; A275-N279 PolarHBondContact O-N 3.32Å; A275-N279 PolarHBondContact O-ND2 3.26Å; K276-N279 PolarHBondContact O-N 3Å; I277-N279 VanDerWaalsContact C-N 3.31Å; I277-N279 PolarHBondContact O-N 3.1Å; N279-N283 WeakPolarHBondContact O-CB 3.01Å; N279-N283 PolarHBondContact O-N 3.18Å; N279-N283 VanDerWaalsContact O-N 3.12Å
280	V	83.8	Confident	85.4	Confident	95 Å²	95	53.5 Å²	53.5	58%	0.576	26%	0.263	S	S	*	.	H	α-helix	trans	-67.6	-46.2	173.3	171.1	0	0	0	0	111	K276 I277 I278 N283 E284	K276-V280 WeakPolarHBondContact O-CG2 3.49Å; K276-V280 PolarHBondContact O-N 2.95Å; K276-V280 VanDerWaalsContact O-N 3.08Å; I277-V280 CarbonylContact O-C 3.46Å; I277-V280 WeakPolarHBondContact O-CA 3.13Å; I277-V280 WeakPolarHBondContact O-CB 3.25Å; I277-V280 PolarHBondContact O-N 3.1Å; I278-V280 VanDerWaalsContact C-N 3.34Å; I278-V280 PolarHBondContact O-N 3.09Å; V280-N283 PolarHBondContact O-N 3.07Å; V280-E284 WeakPolarHBondContact O-CB 3.48Å; V280-E284 PolarHBondContact O-N 3.19Å
281	N	82.9	Confident	84	Confident	64 Å²	64	50.9 Å²	50.9	34%	0.342	25%	0.252	S	S	.	.	H	α-helix	trans	-62.7	-46.7	-179.4	-69.9	-3	0	0	0	111.6	E181 I277 I278 E284 F285	E181-N281 WeakPolarHBondContact OE1-CB 3.42Å; E181-N281 PolarHBondContact OE1-ND2 3.44Å; E181-N281 PolarHBondContact OE2-ND2 2.91Å; I277-N281 PolarHBondContact O-N 3.19Å; I277-N281 PolarHBondContact O-OD1 3.25Å; I278-N281 PolarHBondContact O-N 3.2Å; N281-E284 PolarHBondContact O-N 3.24Å; N281-F285 VanDerWaalsContact O-CB 3.29Å; N281-F285 WeakPolarHBondContact O-CB 3.3Å; N281-F285 PolarHBondContact O-N 3.37Å
282	I	86.3	Confident	82.5	Confident	13 Å²	13	53.2 Å²	53.2	7%	0.067	27%	0.266	C	S	.	.	H	α-helix	trans	-62.4	-45	176.5	-68.2	174.4	0	0	0	111.1	K185 C188 I244 I278 F285 R286	K185-I282 HydrophobicContact CB-CG1 4.05Å; C188-I282 HydrophobicContact CB-CG2 3.49Å; C188-I282 VanDerWaalsContact CB-CG2 3.49Å; I244-I282 HydrophobicContact CG1-CD1 3.98Å; I278-I282 HydrophobicContact CG2-CD1 3.65Å; I278-I282 HydrophobicContact CG2-CG1 4.34Å; I278-I282 WeakPolarHBondContact O-CB 3.4Å; I278-I282 VanDerWaalsContact O-CG1 3.28Å; I278-I282 WeakPolarHBondContact O-CG1 3.38Å; I278-I282 PolarHBondContact O-N 2.96Å; I282-F285 PolarHBondContact O-N 3.13Å; I282-R286 PolarHBondContact O-N 3.32Å
283	N	81.8	Confident	81	Confident	86 Å²	86	55.1 Å²	55.1	46%	0.46	28%	0.275	S	S	.	.	H	α-helix	trans	-65.5	-39.8	178.5	175.2	80.1	0	0	0	112.4	N279 V280 R286 R287	N279-N283 WeakPolarHBondContact O-CB 3.01Å; N279-N283 PolarHBondContact O-N 3.18Å; N279-N283 VanDerWaalsContact O-N 3.12Å; V280-N283 PolarHBondContact O-N 3.07Å; N283-R286 PolarHBondContact O-N 3.45Å; N283-R287 WeakPolarHBondContact O-CB 3.47Å; N283-R287 PolarHBondContact O-N 3.04Å
284	E	76.6	Confident	79.6	Confident	34 Å²	34	58 Å²	58	16%	0.159	28%	0.282	C	S	.	.	H	α-helix	trans	-68.7	-39.1	175	179.2	53.3	-148.1	0	0	111.3	V280 N281 R286 R287 R288	V280-E284 WeakPolarHBondContact O-CB 3.48Å; V280-E284 PolarHBondContact O-N 3.19Å; N281-E284 PolarHBondContact O-N 3.24Å; E284-R286 VanDerWaalsContact C-N 3.35Å; E284-R286 PolarHBondContact O-N 3.01Å; E284-R287 WeakPolarHBondContact O-CB 3.44Å; E284-R287 PolarHBondContact O-N 2.72Å; E284-R287 VanDerWaalsContact O-N 3.15Å; E284-R287 WeakPolarHBondContact OE2-CD 3.45Å; E284-R287 IonicContact OE2-NH1 2.99Å; E284-R288 VanDerWaalsContact O-CG 3.23Å; E284-R288 WeakPolarHBondContact O-CG 3.46Å; E284-R288 PolarHBondContact O-N 2.98Å; E284-R288 IonicContact OE1-CZ 2.75Å; E284-R288 IonicContact OE1-NE 3.49Å; E284-R288 PolarHBondContact OE1-NE 3.25Å; E284-R288 VanDerWaalsContact OE1-NE 3.09Å; E284-R288 IonicContact OE1-NH2 3.82Å
285	F	75	Confident	77.6	Confident	68 Å²	68	60.2 Å²	60.2	30%	0.298	29%	0.288	S	S	.	.	H	α-helix	trans	-60.8	-41.2	173.4	-169.9	-120.7	0	0	0	112.3	K185 Y189 N281 I282 R288 K289	K185-F285 HydrophobicContact CD-CD1 4.43Å; K185-F285 HydrophobicContact CG-CD1 3.47Å; K185-F285 VanDerWaalsContact CG-CD1 3.47Å; K185-F285 HydrophobicContact CG-CE1 3.71Å; K185-F285 HydrophobicContact CG-CG 4.14Å; Y189-F285 AromaticContact CD2-CD1 3.63Å; Y189-F285 HydrophobicContact CD2-CD1 3.63Å; Y189-F285 AromaticContact CD2-CE1 3.27Å; Y189-F285 HydrophobicContact CD2-CE1 3.27Å; Y189-F285 HydrophobicContact CD2-CE2 4.5Å; Y189-F285 HydrophobicContact CD2-CG 4.39Å; Y189-F285 AromaticContact CD2-CZ 3.76Å; Y189-F285 HydrophobicContact CD2-CZ 3.76Å; Y189-F285 AromaticContact CE2-CE1 3.99Å; Y189-F285 HydrophobicContact CE2-CE1 3.99Å; Y189-F285 HydrophobicContact CE2-CZ 4Å; Y189-F285 HydrophobicContact CG-CD1 4.19Å; Y189-F285 AromaticContact CG-CE1 3.69Å; Y189-F285 HydrophobicContact CG-CE1 3.69Å; Y189-F285 HydrophobicContact CG-CZ 4.41Å; N281-F285 VanDerWaalsContact O-CB 3.29Å; N281-F285 WeakPolarHBondContact O-CB 3.3Å; N281-F285 PolarHBondContact O-N 3.37Å; I282-F285 PolarHBondContact O-N 3.13Å; F285-R288 WeakPolarHBondContact O-CB 3.47Å; F285-R288 PolarHBondContact O-N 3.14Å; F285-K289 PolarHBondContact O-N 3.45Å; F285-K289 VanDerWaalsContact O-N 3.13Å
286	R	77.1	Confident	75.8	Confident	47 Å²	47	66.1 Å²	66.1	18%	0.177	31%	0.312	C	S	.	.	H	α-helix	trans	-66.2	-41	171.3	-173	176.6	176.3	-161.6	3.6	112.3	D192 I282 N283 E284 R288 K289 D290	D192-R286 IonicContact OD1-CZ 3.87Å; D192-R286 IonicContact OD1-NH2 2.72Å; D192-R286 PolarHBondContact OD1-NH2 3.46Å; D192-R286 IonicContact OD2-CZ 2.92Å; D192-R286 IonicContact OD2-NE 2.76Å; D192-R286 PolarHBondContact OD2-NE 2.98Å; D192-R286 IonicContact OD2-NH2 2.68Å; D192-R286 PolarHBondContact OD2-NH2 3.31Å; I282-R286 PolarHBondContact O-N 3.32Å; N283-R286 PolarHBondContact O-N 3.45Å; E284-R286 VanDerWaalsContact C-N 3.35Å; E284-R286 PolarHBondContact O-N 3.01Å; R286-R288 VanDerWaalsContact C-N 3.29Å; R286-R288 PolarHBondContact O-N 3.05Å; R286-K289 WeakPolarHBondContact O-CB 3.42Å; R286-K289 PolarHBondContact O-N 3.39Å; R286-D290 PolarHBondContact O-N 3.29Å
287	R	73.6	Confident	74.1	Confident	105 Å²	105	67.6 Å²	67.6	40%	0.396	32%	0.315	S	S	.	.	H	α-helix	trans	-60.1	-38.5	174.6	-178.4	-177.9	175.8	-170.9	-3.4	112	N283 E284 D290 I291 D485	N283-R287 WeakPolarHBondContact O-CB 3.47Å; N283-R287 PolarHBondContact O-N 3.04Å; E284-R287 WeakPolarHBondContact O-CB 3.44Å; E284-R287 PolarHBondContact O-N 2.72Å; E284-R287 VanDerWaalsContact O-N 3.15Å; E284-R287 WeakPolarHBondContact OE2-CD 3.45Å; E284-R287 IonicContact OE2-NH1 2.99Å; R287-D290 PolarHBondContact O-N 3.45Å; R287-I291 HydrophobicContact CG-CD1 4.16Å; R287-I291 VanDerWaalsContact O-CG1 3.29Å; R287-I291 WeakPolarHBondContact O-CG1 3.42Å; R287-I291 PolarHBondContact O-N 2.82Å; R287-D485 IonicContact CZ-OD1 2.62Å; R287-D485 IonicContact NH2-OD1 2.77Å; R287-D485 PolarHBondContact NH2-OD1 3.06Å
288	R	69.6	Low	72.3	Confident	85 Å²	85	66 Å²	66	32%	0.321	31%	0.307	S	S	.	.	H	α-helix	trans	-63	-46.6	174.4	-68.7	167.4	-175.5	-166.8	7	111	E284 F285 R286 D290 I291 V292 L492	E284-R288 VanDerWaalsContact O-CG 3.23Å; E284-R288 WeakPolarHBondContact O-CG 3.46Å; E284-R288 PolarHBondContact O-N 2.98Å; E284-R288 IonicContact OE1-CZ 2.75Å; E284-R288 IonicContact OE1-NE 3.49Å; E284-R288 PolarHBondContact OE1-NE 3.25Å; E284-R288 VanDerWaalsContact OE1-NE 3.09Å; E284-R288 IonicContact OE1-NH2 3.82Å; F285-R288 WeakPolarHBondContact O-CB 3.47Å; F285-R288 PolarHBondContact O-N 3.14Å; R286-R288 VanDerWaalsContact C-N 3.29Å; R286-R288 PolarHBondContact O-N 3.05Å; R288-D290 PolarHBondContact O-N 3.27Å; R288-I291 WeakPolarHBondContact O-CB 3.48Å; R288-I291 PolarHBondContact O-N 3.13Å; R288-V292 PolarHBondContact O-N 3.29Å; R288-L492 HydrophobicContact CB-CD1 3.62Å; R288-L492 HydrophobicContact CG-CD1 3.5Å; R288-L492 VanDerWaalsContact CG-CD1 3.5Å
289	K	73.9	Confident	70.2	Confident	18 Å²	18	68.4 Å²	68.4	8%	0.078	32%	0.318	C	S	.	.	H	α-helix	trans	-54.7	-49.7	171.9	-170.8	-177.7	-176.4	159.4	0	112.4	Y189 D193 F285 R286 I291 V292 M293	Y189-K289 HydrophobicContact CD1-CD 4.02Å; Y189-K289 HydrophobicContact CD2-CB 3.96Å; Y189-K289 HydrophobicContact CD2-CD 3.75Å; Y189-K289 HydrophobicContact CD2-CG 4.22Å; Y189-K289 HydrophobicContact CE1-CD 3.87Å; Y189-K289 HydrophobicContact CE2-CB 3.58Å; Y189-K289 HydrophobicContact CE2-CD 3.6Å; Y189-K289 HydrophobicContact CE2-CG 3.68Å; Y189-K289 HydrophobicContact CG-CD 3.96Å; Y189-K289 WeakPolarHBondContact O-CD 3.25Å; Y189-K289 PolarHBondContact O-NZ 3.48Å; D193-K289 VanDerWaalsContact OD2-CE 3.25Å; D193-K289 WeakPolarHBondContact OD2-CE 3.47Å; D193-K289 IonicContact OD2-NZ 2.72Å; D193-K289 PolarHBondContact OD2-NZ 2.93Å; F285-K289 PolarHBondContact O-N 3.45Å; F285-K289 VanDerWaalsContact O-N 3.13Å; R286-K289 WeakPolarHBondContact O-CB 3.42Å; R286-K289 PolarHBondContact O-N 3.39Å; K289-I291 VanDerWaalsContact C-N 3.28Å; K289-I291 PolarHBondContact O-N 3.24Å; K289-V292 PolarHBondContact O-N 3.06Å; K289-M293 HydrophobicContact CG-CG 4.17Å; K289-M293 WeakPolarHBondContact O-CB 3.15Å; K289-M293 WeakPolarHBondContact O-CG 3.34Å; K289-M293 PolarHBondContact O-N 3.42Å
290	D	69.4	Low	68.4	Low	92 Å²	92	73.6 Å²	73.6	49%	0.492	35%	0.345	S	S	.	.	H	α-helix	trans	-60.8	-37.1	178.8	-96.3	-21.5	0	0	0	112.4	R286 R287 R288 K294	R286-D290 PolarHBondContact O-N 3.29Å; R287-D290 PolarHBondContact O-N 3.45Å; R288-D290 PolarHBondContact O-N 3.27Å; D290-K294 WeakPolarHBondContact O-CB 3.34Å; D290-K294 PolarHBondContact O-N 2.76Å
291	I	68.6	Low	66.6	Low	33 Å²	33	73.3 Å²	73.3	17%	0.169	34%	0.341	C	S	.	.	H	α-helix	trans	-62	-54.5	173.2	-75.5	166.2	0	0	0	110.1	R287 R288 K289 K294 Y295 L437 K440	R287-I291 HydrophobicContact CG-CD1 4.16Å; R287-I291 VanDerWaalsContact O-CG1 3.29Å; R287-I291 WeakPolarHBondContact O-CG1 3.42Å; R287-I291 PolarHBondContact O-N 2.82Å; R288-I291 WeakPolarHBondContact O-CB 3.48Å; R288-I291 PolarHBondContact O-N 3.13Å; K289-I291 VanDerWaalsContact C-N 3.28Å; K289-I291 PolarHBondContact O-N 3.24Å; I291-K294 WeakPolarHBondContact O-CB 3.45Å; I291-K294 PolarHBondContact O-N 2.71Å; I291-Y295 HydrophobicContact CG2-CD2 4.34Å; I291-Y295 HydrophobicContact CG2-CE2 4.16Å; I291-Y295 WeakPolarHBondContact O-CD2 3.5Å; I291-Y295 PolarHBondContact O-N 3.12Å; I291-L437 HydrophobicContact CG2-CD2 4.47Å; I291-K440 VanDerWaalsContact CG2-NZ 3.27Å
292	V	66.3	Low	64.9	Low	50 Å²	50	73.3 Å²	73.3	30%	0.303	34%	0.339	S	S	.	.	H	α-helix	trans	-61.6	-48.7	-178.7	174.6	0	0	0	0	111.3	R288 K289 K294 Y295 K296	R288-V292 PolarHBondContact O-N 3.29Å; K289-V292 PolarHBondContact O-N 3.06Å; V292-K294 VanDerWaalsContact C-N 3.25Å; V292-K294 PolarHBondContact O-N 2.95Å; V292-Y295 PolarHBondContact O-N 3.05Å; V292-K296 PolarHBondContact O-N 2.94Å
293	M	65.9	Low	63	Low	49 Å²	49	76.3 Å²	76.3	24%	0.241	37%	0.373	C	S	.	.	H	α-helix	trans	-62.6	-30.6	179.4	-74.2	-70	-89.9	0	0	112.8	K289 R297	K289-M293 HydrophobicContact CG-CG 4.17Å; K289-M293 WeakPolarHBondContact O-CB 3.15Å; K289-M293 WeakPolarHBondContact O-CG 3.34Å; K289-M293 PolarHBondContact O-N 3.42Å; M293-R297 WeakPolarHBondContact O-CB 3.11Å; M293-R297 VanDerWaalsContact O-CG 3.26Å; M293-R297 WeakPolarHBondContact O-CG 3.4Å; M293-R297 PolarHBondContact O-N 3.07Å
294	K	67.1	Low	61.3	Low	128 Å²	128	76.2 Å²	76.2	56%	0.557	38%	0.375	S	S	*	.	H	α-helix	trans	-66.1	-37.6	172.5	180	177.6	179.1	178.9	0	112.4	D290 I291 V292 L298	D290-K294 WeakPolarHBondContact O-CB 3.34Å; D290-K294 PolarHBondContact O-N 2.76Å; I291-K294 WeakPolarHBondContact O-CB 3.45Å; I291-K294 PolarHBondContact O-N 2.71Å; V292-K294 VanDerWaalsContact C-N 3.25Å; V292-K294 PolarHBondContact O-N 2.95Å; K294-L298 HydrophobicContact CG-CD1 4.19Å; K294-L298 VanDerWaalsContact O-CD1 3.28Å; K294-L298 WeakPolarHBondContact O-CD1 3.07Å; K294-L298 PolarHBondContact O-N 3.12Å
295	Y	54.1	Low	59.7	Low	59 Å²	59	81.5 Å²	81.5	23%	0.231	40%	0.404	C	S	.	.	H	α-helix	trans	-75.1	-41.9	176.3	-71.6	-73.3	0	0	0	112.3	I291 V292 R297 L298 E299 L437 K440	I291-Y295 HydrophobicContact CG2-CD2 4.34Å; I291-Y295 HydrophobicContact CG2-CE2 4.16Å; I291-Y295 WeakPolarHBondContact O-CD2 3.5Å; I291-Y295 PolarHBondContact O-N 3.12Å; V292-Y295 PolarHBondContact O-N 3.05Å; Y295-R297 VanDerWaalsContact C-N 3.3Å; Y295-R297 PolarHBondContact O-N 2.72Å; Y295-L298 WeakPolarHBondContact O-CB 3.03Å; Y295-L298 PolarHBondContact O-N 3.05Å; Y295-E299 PolarHBondContact O-N 2.86Å; Y295-L437 HydrophobicContact CD2-CD2 3.96Å; Y295-L437 HydrophobicContact CE2-CD2 4.31Å; Y295-K440 HydrophobicContact CE2-CD 3.82Å; Y295-K440 WeakPolarHBondContact OH-CD 3.19Å; Y295-K440 VanDerWaalsContact OH-CE 3.27Å; Y295-K440 WeakPolarHBondContact OH-CE 3.39Å
296	K	57.7	Low	58.1	Low	133 Å²	133	88.2 Å²	88.2	58%	0.578	43%	0.427	S	S	*	.	H	α-helix	trans	-58.8	-39.3	172.9	-170.3	171.4	-175.9	172.8	0	112.4	V292	V292-K296 PolarHBondContact O-N 2.94Å
297	R	56.1	Low	56.6	Low	133 Å²	133	87 Å²	87	50%	0.502	43%	0.429	S	S	.	.	H	α-helix	trans	-71.1	-33.3	173	-72.4	175.5	-174.6	155.2	6.2	113.2	M293 Y295 E299 D301	M293-R297 WeakPolarHBondContact O-CB 3.11Å; M293-R297 VanDerWaalsContact O-CG 3.26Å; M293-R297 WeakPolarHBondContact O-CG 3.4Å; M293-R297 PolarHBondContact O-N 3.07Å; Y295-R297 VanDerWaalsContact C-N 3.3Å; Y295-R297 PolarHBondContact O-N 2.72Å; R297-E299 VanDerWaalsContact C-N 3.3Å; R297-E299 PolarHBondContact O-N 3.5Å; R297-D301 WeakPolarHBondContact O-CB 3.34Å; R297-D301 PolarHBondContact O-N 3.23Å
298	L	52.4	Low	55.4	Low	53 Å²	53	87.1 Å²	87.1	28%	0.277	43%	0.433	S	S	.	.	H	α-helix	trans	-64.5	-36	175.3	-112.8	93.1	0	0	0	112	K294 Y295 D301 E302	K294-L298 HydrophobicContact CG-CD1 4.19Å; K294-L298 VanDerWaalsContact O-CD1 3.28Å; K294-L298 WeakPolarHBondContact O-CD1 3.07Å; K294-L298 PolarHBondContact O-N 3.12Å; Y295-L298 WeakPolarHBondContact O-CB 3.03Å; Y295-L298 PolarHBondContact O-N 3.05Å; L298-D301 CarbonylContact O-C 3.56Å; L298-D301 PolarHBondContact O-N 3.19Å; L298-E302 VanDerWaalsContact O-CB 3.27Å; L298-E302 WeakPolarHBondContact O-CB 3.42Å; L298-E302 WeakPolarHBondContact O-CG 3.31Å; L298-E302 PolarHBondContact O-N 3.2Å
299	E	48	Very low	54.3	Low	59 Å²	59	89 Å²	89	28%	0.276	45%	0.448	S	S	.	.	H	α-helix	trans	-63	-45.7	179.3	-168.4	143.1	-109.4	0	0	112.2	Y295 R297 D301 E302 T432 K436	Y295-E299 PolarHBondContact O-N 2.86Å; R297-E299 VanDerWaalsContact C-N 3.3Å; R297-E299 PolarHBondContact O-N 3.5Å; E299-D301 VanDerWaalsContact C-N 3.26Å; E299-D301 PolarHBondContact O-N 3.08Å; E299-E302 PolarHBondContact O-N 3.15Å; E299-T432 VanDerWaalsContact OE1-CB 3.3Å; E299-T432 WeakPolarHBondContact OE1-CB 3.35Å; E299-T432 PolarHBondContact OE1-OG1 3.49Å; E299-T432 PolarHBondContact OE2-OG1 2.68Å; E299-T432 VanDerWaalsContact OE2-OG1 3.07Å; E299-K436 IonicContact OE1-NZ 2.95Å; E299-K436 PolarHBondContact OE1-NZ 2.89Å
300	N	49.2	Very low	52.8	Low	141 Å²	141	94.6 Å²	94.6	75%	0.754	48%	0.479	S	S	*	.	H	α-helix	trans	-66.5	-26.6	173.9	-64.9	12.2	0	0	0	112.9
301	D	47.3	Very low	51.6	Low	89 Å²	89	95.6 Å²	95.6	48%	0.476	48%	0.479	S	S	.	.	H	α-helix	trans	-88.1	-12.3	178.9	-161.7	54	0	0	0	112.2	R297 L298 E299 G303 K311	R297-D301 WeakPolarHBondContact O-CB 3.34Å; R297-D301 PolarHBondContact O-N 3.23Å; L298-D301 CarbonylContact O-C 3.56Å; L298-D301 PolarHBondContact O-N 3.19Å; E299-D301 VanDerWaalsContact C-N 3.26Å; E299-D301 PolarHBondContact O-N 3.08Å; D301-G303 VanDerWaalsContact C-N 3.34Å; D301-K311 IonicContact OD2-NZ 3.46Å; D301-K311 PolarHBondContact OD2-NZ 2.92Å
302	E	47.3	Very low	50.5	Low	65 Å²	65	99 Å²	99	30%	0.304	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-5.6	-176.6	-93.7	168.6	-177.1	0	0	114	L298 E299 T304 K308 K436	L298-E302 VanDerWaalsContact O-CB 3.27Å; L298-E302 WeakPolarHBondContact O-CB 3.42Å; L298-E302 WeakPolarHBondContact O-CG 3.31Å; L298-E302 PolarHBondContact O-N 3.2Å; E299-E302 PolarHBondContact O-N 3.15Å; E302-T304 PolarHBondContact O-N 3.4Å; E302-K308 WeakPolarHBondContact O-CE 3Å; E302-K308 PolarHBondContact O-NZ 3.42Å; E302-K436 IonicContact OE2-NZ 3.11Å; E302-K436 PolarHBondContact OE2-NZ 3.01Å
303	G	45.2	Very low	49.5	Very low	75 Å²	75	101.1 Å²	101.1	77%	0.773	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-13.4	179.7	0	0	0	0	0	115.4	D301	D301-G303 VanDerWaalsContact C-N 3.34Å
304	T	47	Very low	48.5	Very low	85 Å²	85	105.7 Å²	105.7	52%	0.521	53%	0.53	S	S	.	.			trans	-114.2	124.6	177.1	63.8	0	0	0	0	112.6	E302 R306 G307	E302-T304 PolarHBondContact O-N 3.4Å; T304-R306 PolarHBondContact O-N 3.35Å; T304-G307 PolarHBondContact O-N 3.25Å; T304-G307 PolarHBondContact OG1-N 3.18Å
305	L	41.9	Very low	47.5	Very low	145 Å²	145	105.3 Å²	105.3	76%	0.759	53%	0.53	S	S	*	.	H	α-helix	trans	-57.5	-35.7	174.4	-64.3	172.2	0	0	0	111.8	G307 K308 L309	L305-G307 VanDerWaalsContact C-N 3.27Å; L305-G307 PolarHBondContact O-N 3.46Å; L305-K308 WeakPolarHBondContact O-CB 3.46Å; L305-K308 PolarHBondContact O-N 3.41Å; L305-L309 PolarHBondContact O-N 3.27Å
306	R	41.8	Very low	47.3	Very low	209 Å²	209	104.9 Å²	104.9	79%	0.789	54%	0.536	S	S	*	.	H	α-helix	trans	-59.7	-32.6	175.2	-162.9	173.1	-176	174.8	0.9	113	T304	T304-R306 PolarHBondContact O-N 3.35Å
307	G	45.9	Very low	46.9	Very low	21 Å²	21	103.1 Å²	103.1	22%	0.216	53%	0.532	C	S	.	.	H	α-helix	trans	-74.4	-22.7	174.3	0	0	0	0	0	114.3	T304 L305	T304-G307 PolarHBondContact O-N 3.25Å; T304-G307 PolarHBondContact OG1-N 3.18Å; L305-G307 VanDerWaalsContact C-N 3.27Å; L305-G307 PolarHBondContact O-N 3.46Å
308	K	49	Very low	46.7	Very low	107 Å²	107	105.2 Å²	105.2	47%	0.465	54%	0.54	S	S	.	.	H	α-helix	trans	-78.9	-41.5	177.3	-63.6	176.6	-178.1	166.7	0	111.3	E302 L305 K311	E302-K308 WeakPolarHBondContact O-CE 3Å; E302-K308 PolarHBondContact O-NZ 3.42Å; L305-K308 WeakPolarHBondContact O-CB 3.46Å; L305-K308 PolarHBondContact O-N 3.41Å; K308-K311 PolarHBondContact O-N 3.49Å
309	L	46.9	Very low	46.9	Very low	124 Å²	124	106.2 Å²	106.2	65%	0.649	54%	0.542	S	S	*	.	H	α-helix	trans	-63.6	-45.3	179.6	-152.9	73.8	0	0	0	112.1	L305 K311 I312	L305-L309 PolarHBondContact O-N 3.27Å; L309-K311 PolarHBondContact O-N 3.11Å; L309-I312 HydrophobicContact CD1-CD1 4.1Å; L309-I312 WeakPolarHBondContact O-CG1 3.28Å; L309-I312 PolarHBondContact O-N 2.93Å
310	N	42.2	Very low	47.1	Very low	137 Å²	137	110.3 Å²	110.3	73%	0.733	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	0.6	-178.2	-70.5	5.1	0	0	0	115
311	K	43.2	Very low	47.3	Very low	113 Å²	113	105.6 Å²	105.6	49%	0.491	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	0.6	177.3	-81.4	170.8	-176.4	157.2	0	113.6	D301 K308 L309 N313	D301-K311 IonicContact OD2-NZ 3.46Å; D301-K311 PolarHBondContact OD2-NZ 2.92Å; K308-K311 PolarHBondContact O-N 3.49Å; L309-K311 PolarHBondContact O-N 3.11Å; K311-N313 PolarHBondContact O-N 3.41Å
312	I	45.5	Very low	47.8	Very low	105 Å²	105	103.6 Å²	103.6	54%	0.538	53%	0.533	S	S	.	.			trans	-73.6	93.5	-179.4	-57.8	173.6	0	0	0	110.2	L309 L317	L309-I312 HydrophobicContact CD1-CD1 4.1Å; L309-I312 WeakPolarHBondContact O-CG1 3.28Å; L309-I312 PolarHBondContact O-N 2.93Å; I312-L317 HydrophobicContact CG2-CD1 3.78Å; I312-L317 HydrophobicContact CG2-CD2 4.19Å; I312-L317 HydrophobicContact CG2-CG 4.09Å
313	N	46.1	Very low	48.5	Very low	94 Å²	94	102.1 Å²	102.1	50%	0.503	53%	0.525	S	S	.	.			trans	-98.6	133.9	176.2	-177.3	-39.9	0	0	0	110.1	K311 H315 S316 L317	K311-N313 PolarHBondContact O-N 3.41Å; N313-H315 PolarHBondContact O-N 3.47Å; N313-H315 WeakPolarHBondContact OD1-CB 3.33Å; N313-H315 PolarHBondContact OD1-N 2.97Å; N313-S316 PolarHBondContact N-OG 3.23Å; N313-S316 WeakPolarHBondContact O-CA 3.39Å; N313-S316 WeakPolarHBondContact O-CB 3.43Å; N313-S316 PolarHBondContact O-N 3.23Å; N313-S316 PolarHBondContact O-OG 3.05Å; N313-L317 PolarHBondContact O-N 2.9Å; N313-L317 VanDerWaalsContact O-N 3.11Å
314	I	43.9	Very low	49.1	Very low	145 Å²	145	105.5 Å²	105.5	74%	0.744	52%	0.518	S	S	*	.	H	α-helix	trans	-51.4	-40.3	178.8	-61.6	171.1	0	0	0	112.1	S316 L317 R318	I314-S316 VanDerWaalsContact C-N 3.27Å; I314-S316 PolarHBondContact O-N 3.38Å; I314-L317 PolarHBondContact O-N 2.84Å; I314-R318 PolarHBondContact O-N 3.13Å
315	H	46.7	Very low	49.7	Very low	120 Å²	120	103.9 Å²	103.9	56%	0.556	51%	0.514	S	S	*	.	H	α-helix	trans	-66.1	-26	176.3	173	-120.6	0	0	0	113.2	N313 K319	N313-H315 PolarHBondContact O-N 3.47Å; N313-H315 WeakPolarHBondContact OD1-CB 3.33Å; N313-H315 PolarHBondContact OD1-N 2.97Å; H315-K319 WeakPolarHBondContact NE2-CE 3.37Å; H315-K319 WeakPolarHBondContact O-CG 3.41Å; H315-K319 PolarHBondContact O-N 3.4Å
316	S	51.1	Low	50.5	Low	50 Å²	50	97 Å²	97	35%	0.35	48%	0.478	S	S	.	.	H	α-helix	trans	-80	-33.9	173	74.2	0	0	0	0	112.8	N313 I314 K320	N313-S316 PolarHBondContact N-OG 3.23Å; N313-S316 WeakPolarHBondContact O-CA 3.39Å; N313-S316 WeakPolarHBondContact O-CB 3.43Å; N313-S316 PolarHBondContact O-N 3.23Å; N313-S316 PolarHBondContact O-OG 3.05Å; I314-S316 VanDerWaalsContact C-N 3.27Å; I314-S316 PolarHBondContact O-N 3.38Å; S316-K320 PolarHBondContact O-N 2.89Å; S316-K320 VanDerWaalsContact O-N 3.15Å
317	L	48.3	Very low	51.3	Low	96 Å²	96	93.1 Å²	93.1	50%	0.503	46%	0.464	S	S	.	.	H	α-helix	trans	-66.7	-47.8	173.1	-66.4	177	0	0	0	110.8	I312 N313 I314 K319 K320 G321	I312-L317 HydrophobicContact CG2-CD1 3.78Å; I312-L317 HydrophobicContact CG2-CD2 4.19Å; I312-L317 HydrophobicContact CG2-CG 4.09Å; N313-L317 PolarHBondContact O-N 2.9Å; N313-L317 VanDerWaalsContact O-N 3.11Å; I314-L317 PolarHBondContact O-N 2.84Å; L317-K319 VanDerWaalsContact C-N 3.29Å; L317-K319 PolarHBondContact O-N 2.95Å; L317-K320 WeakPolarHBondContact O-CB 3.42Å; L317-K320 PolarHBondContact O-N 2.91Å; L317-G321 PolarHBondContact O-N 3.41Å
318	R	51.1	Low	51.7	Low	177 Å²	177	96.5 Å²	96.5	67%	0.668	48%	0.477	S	S	*	.	H	α-helix	trans	-55.3	-43.9	175.8	-175.7	173.6	178.4	169.4	2.3	111.9	I314 K320 G321 D322	I314-R318 PolarHBondContact O-N 3.13Å; R318-K320 PolarHBondContact O-N 3.38Å; R318-G321 WeakPolarHBondContact O-CA 3.33Å; R318-G321 PolarHBondContact O-N 3.43Å; R318-G321 VanDerWaalsContact O-N 3.12Å; R318-D322 PolarHBondContact O-N 3.49Å
319	K	57.4	Low	52.2	Low	74 Å²	74	94.7 Å²	94.7	32%	0.322	47%	0.469	S	S	.	.	H	α-helix	trans	-63.5	-36.6	175.6	-77.7	-171	173.2	-159.2	0	113.9	H315 L317 G321 R323	H315-K319 WeakPolarHBondContact NE2-CE 3.37Å; H315-K319 WeakPolarHBondContact O-CG 3.41Å; H315-K319 PolarHBondContact O-N 3.4Å; L317-K319 VanDerWaalsContact C-N 3.29Å; L317-K319 PolarHBondContact O-N 2.95Å; K319-G321 VanDerWaalsContact C-N 3.31Å; K319-R323 WeakPolarHBondContact O-CB 3.23Å; K319-R323 VanDerWaalsContact O-CD 3.29Å; K319-R323 WeakPolarHBondContact O-CD 3.41Å; K319-R323 WeakPolarHBondContact O-CG 3.29Å; K319-R323 PolarHBondContact O-N 3.08Å
320	K	53.1	Low	52.7	Low	145 Å²	145	90.9 Å²	90.9	63%	0.63	45%	0.449	S	S	*	.	H	α-helix	trans	-65	-37.1	172.1	-73.1	-175.2	174	-168.5	0	111.6	S316 L317 R318 F324	S316-K320 PolarHBondContact O-N 2.89Å; S316-K320 VanDerWaalsContact O-N 3.15Å; L317-K320 WeakPolarHBondContact O-CB 3.42Å; L317-K320 PolarHBondContact O-N 2.91Å; R318-K320 PolarHBondContact O-N 3.38Å; K320-F324 VanDerWaalsContact O-CB 3.31Å; K320-F324 WeakPolarHBondContact O-CB 3.21Å; K320-F324 PolarHBondContact O-N 3.43Å
321	G	53.1	Low	53.1	Low	42 Å²	42	89.8 Å²	89.8	43%	0.433	44%	0.442	S	S	.	.	H	α-helix	trans	-62.1	-56.8	172	0	0	0	0	0	113.2	L317 R318 K319 R323 F324 A325	L317-G321 PolarHBondContact O-N 3.41Å; R318-G321 WeakPolarHBondContact O-CA 3.33Å; R318-G321 PolarHBondContact O-N 3.43Å; R318-G321 VanDerWaalsContact O-N 3.12Å; K319-G321 VanDerWaalsContact C-N 3.31Å; G321-R323 PolarHBondContact O-N 3.43Å; G321-F324 PolarHBondContact O-N 3.5Å; G321-F324 VanDerWaalsContact O-N 3.1Å; G321-A325 PolarHBondContact O-N 3.46Å
322	D	57	Low	53.5	Low	47 Å²	47	88.6 Å²	88.6	25%	0.251	45%	0.445	S	S	.	.	H	α-helix	trans	-50.8	-45	176.5	-77.8	36.2	0	0	0	111	R318 A325 G326 R454	R318-D322 PolarHBondContact O-N 3.49Å; D322-A325 PolarHBondContact O-N 2.92Å; D322-G326 PolarHBondContact O-N 3.5Å; D322-G326 VanDerWaalsContact O-N 3.12Å; D322-R454 IonicContact OD2-CZ 2.78Å; D322-R454 IonicContact OD2-NH1 3.89Å; D322-R454 IonicContact OD2-NH2 2.68Å; D322-R454 PolarHBondContact OD2-NH2 2.93Å
323	R	62.8	Low	53.6	Low	34 Å²	34	86.9 Å²	86.9	13%	0.128	45%	0.453	C	S	.	.	H	α-helix	trans	-70.2	-37.5	178.6	-69.6	167.3	-177.6	-172.9	-13.6	114	K319 G321 A325 G326 Y327 D443 L446 D447	K319-R323 WeakPolarHBondContact O-CB 3.23Å; K319-R323 VanDerWaalsContact O-CD 3.29Å; K319-R323 WeakPolarHBondContact O-CD 3.41Å; K319-R323 WeakPolarHBondContact O-CG 3.29Å; K319-R323 PolarHBondContact O-N 3.08Å; G321-R323 PolarHBondContact O-N 3.43Å; R323-A325 VanDerWaalsContact C-N 3.3Å; R323-G326 PolarHBondContact O-N 2.87Å; R323-Y327 WeakPolarHBondContact O-CB 3.46Å; R323-Y327 PolarHBondContact O-N 2.88Å; R323-D443 IonicContact CZ-OD1 3.79Å; R323-D443 IonicContact CZ-OD2 3.34Å; R323-D443 PolarHBondContact NE-O 3.03Å; R323-D443 VanDerWaalsContact NE-O 3.17Å; R323-D443 IonicContact NH1-OD1 3.41Å; R323-D443 PolarHBondContact NH1-OD1 3.32Å; R323-D443 IonicContact NH1-OD2 2.76Å; R323-D443 PolarHBondContact NH1-OD2 3.25Å; R323-D443 PolarHBondContact NH2-O 3.03Å; R323-D443 IonicContact NH2-OD2 3.6Å; R323-L446 HydrophobicContact CB-CB 4.09Å; R323-L446 HydrophobicContact CB-CD1 4.09Å; R323-L446 HydrophobicContact CG-CB 3.84Å; R323-D447 IonicContact CZ-OD1 3.3Å; R323-D447 IonicContact CZ-OD2 3.7Å; R323-D447 IonicContact NE-OD1 3.61Å; R323-D447 PolarHBondContact NE-OD1 3.26Å; R323-D447 VanDerWaalsContact NH2-CG 3.25Å; R323-D447 IonicContact NH2-OD1 3.72Å; R323-D447 PolarHBondContact NH2-OD1 3.11Å; R323-D447 IonicContact NH2-OD2 2.76Å; R323-D447 PolarHBondContact NH2-OD2 3.35Å
324	F	57.6	Low	53.6	Low	145 Å²	145	87.6 Å²	87.6	64%	0.636	46%	0.46	S	S	*	.	H	α-helix	trans	-65.3	-37.8	176.6	-175.8	-97.6	0	0	0	110.9	K320 G321 Y327 L328	K320-F324 VanDerWaalsContact O-CB 3.31Å; K320-F324 WeakPolarHBondContact O-CB 3.21Å; K320-F324 PolarHBondContact O-N 3.43Å; G321-F324 PolarHBondContact O-N 3.5Å; G321-F324 VanDerWaalsContact O-N 3.1Å; F324-Y327 PolarHBondContact O-N 3.05Å; F324-L328 WeakPolarHBondContact O-CB 3.34Å; F324-L328 PolarHBondContact O-N 3.1Å
325	A	59.8	Low	53.8	Low	51 Å²	51	82 Å²	82	42%	0.421	43%	0.431	S	S	.	.	H	α-helix	trans	-63.2	-43.7	171.6	0	0	0	0	0	112.2	G321 D322 R323 L328 K329	G321-A325 PolarHBondContact O-N 3.46Å; D322-A325 PolarHBondContact O-N 2.92Å; R323-A325 VanDerWaalsContact C-N 3.3Å; A325-L328 PolarHBondContact O-N 3.01Å; A325-K329 WeakPolarHBondContact O-CG 3.35Å; A325-K329 PolarHBondContact O-N 3.29Å; A325-K329 VanDerWaalsContact O-N 3.08Å
326	G	59.1	Low	53.7	Low	1 Å²	1	81.8 Å²	81.8	1%	0.01	44%	0.44	C	S	.	.	H	α-helix	trans	-62.3	-42.1	173.5	0	0	0	0	0	113.3	D322 R323 L328 K329 I330	D322-G326 PolarHBondContact O-N 3.5Å; D322-G326 VanDerWaalsContact O-N 3.12Å; R323-G326 PolarHBondContact O-N 2.87Å; G326-L328 VanDerWaalsContact C-N 3.3Å; G326-L328 PolarHBondContact O-N 3.34Å; G326-K329 WeakPolarHBondContact O-CB 3.4Å; G326-K329 PolarHBondContact O-N 3.37Å; G326-I330 WeakPolarHBondContact O-CG1 3.48Å; G326-I330 PolarHBondContact O-N 2.84Å
327	Y	58.1	Low	53.8	Low	127 Å²	127	84.7 Å²	84.7	50%	0.498	45%	0.448	S	S	.	.	H	α-helix	trans	-62.6	-37.8	175.7	-178.1	-109.9	0	0	0	112.1	R323 F324 I330 L331	R323-Y327 WeakPolarHBondContact O-CB 3.46Å; R323-Y327 PolarHBondContact O-N 2.88Å; F324-Y327 PolarHBondContact O-N 3.05Å; Y327-I330 PolarHBondContact O-N 2.7Å; Y327-L331 HydrophobicContact CD1-CD1 3.86Å; Y327-L331 HydrophobicContact CE1-CD1 3.37Å; Y327-L331 HydrophobicContact CE1-CG 4.3Å; Y327-L331 PolarHBondContact O-N 3.18Å
328	L	54	Low	54.1	Low	93 Å²	93	83.3 Å²	83.3	49%	0.487	44%	0.444	S	S	.	.	H	α-helix	trans	-64.5	-42.5	174.2	-171.4	63.8	0	0	0	111.9	F324 A325 G326 I330 L331 T332	F324-L328 WeakPolarHBondContact O-CB 3.34Å; F324-L328 PolarHBondContact O-N 3.1Å; A325-L328 PolarHBondContact O-N 3.01Å; G326-L328 VanDerWaalsContact C-N 3.3Å; G326-L328 PolarHBondContact O-N 3.34Å; L328-I330 VanDerWaalsContact C-N 3.34Å; L328-I330 PolarHBondContact O-N 3.43Å; L328-L331 WeakPolarHBondContact O-CB 3.48Å; L328-L331 PolarHBondContact O-N 2.96Å; L328-T332 PolarHBondContact O-N 3.19Å; L328-T332 PolarHBondContact O-OG1 3.43Å; L328-T332 VanDerWaalsContact O-OG1 3.08Å
329	K	58.8	Low	54.4	Low	69 Å²	69	83.5 Å²	83.5	30%	0.3	44%	0.444	S	S	.	.	H	α-helix	trans	-58.1	-43.6	176.2	-72.1	178.4	178.5	-174.3	0	112.9	A325 G326 T332 G333 V334 E453	A325-K329 WeakPolarHBondContact O-CG 3.35Å; A325-K329 PolarHBondContact O-N 3.29Å; A325-K329 VanDerWaalsContact O-N 3.08Å; G326-K329 WeakPolarHBondContact O-CB 3.4Å; G326-K329 PolarHBondContact O-N 3.37Å; K329-T332 WeakPolarHBondContact CA-OG1 3.43Å; K329-T332 PolarHBondContact O-N 3.32Å; K329-T332 PolarHBondContact O-OG1 3.35Å; K329-G333 PolarHBondContact O-N 3.13Å; K329-V334 PolarHBondContact O-N 3.02Å; K329-E453 IonicContact NZ-OE1 2.66Å; K329-E453 PolarHBondContact NZ-OE1 2.85Å; K329-E453 IonicContact NZ-OE2 3.73Å; K329-E453 PolarHBondContact NZ-OE2 3.29Å
330	I	58.8	Low	55.1	Low	43 Å²	43	81.6 Å²	81.6	22%	0.221	44%	0.438	C	S	.	.	H	α-helix	trans	-64.5	-44	176.7	-63.8	168.3	0	0	0	110.1	G326 Y327 L328 T332 G333 L446	G326-I330 WeakPolarHBondContact O-CG1 3.48Å; G326-I330 PolarHBondContact O-N 2.84Å; Y327-I330 PolarHBondContact O-N 2.7Å; L328-I330 VanDerWaalsContact C-N 3.34Å; L328-I330 PolarHBondContact O-N 3.43Å; I330-T332 VanDerWaalsContact C-N 3.32Å; I330-T332 PolarHBondContact O-N 2.95Å; I330-G333 PolarHBondContact O-N 3.05Å; I330-G333 VanDerWaalsContact O-N 3.12Å; I330-L446 HydrophobicContact CD1-CD2 3.91Å
331	L	50.3	Low	56.3	Low	114 Å²	114	80.9 Å²	80.9	60%	0.597	44%	0.436	S	S	*	.	H	α-helix	trans	-63.1	-33.6	175.5	-86.3	170.6	0	0	0	113.6	Y327 L328 G333	Y327-L331 HydrophobicContact CD1-CD1 3.86Å; Y327-L331 HydrophobicContact CE1-CD1 3.37Å; Y327-L331 HydrophobicContact CE1-CG 4.3Å; Y327-L331 PolarHBondContact O-N 3.18Å; L328-L331 WeakPolarHBondContact O-CB 3.48Å; L328-L331 PolarHBondContact O-N 2.96Å; L331-G333 VanDerWaalsContact C-N 3.25Å; L331-G333 PolarHBondContact O-N 2.99Å
332	T	50.2	Low	57.5	Low	89 Å²	89	82.2 Å²	82.2	55%	0.546	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	3.2	175.2	53.5	0	0	0	0	113.7	L328 K329 I330 V334	L328-T332 PolarHBondContact O-N 3.19Å; L328-T332 PolarHBondContact O-OG1 3.43Å; L328-T332 VanDerWaalsContact O-OG1 3.08Å; K329-T332 WeakPolarHBondContact CA-OG1 3.43Å; K329-T332 PolarHBondContact O-N 3.32Å; K329-T332 PolarHBondContact O-OG1 3.35Å; I330-T332 VanDerWaalsContact C-N 3.32Å; I330-T332 PolarHBondContact O-N 2.95Å; T332-V334 VanDerWaalsContact C-N 3.27Å; T332-V334 PolarHBondContact O-N 3.07Å; T332-V334 WeakPolarHBondContact OG1-CG2 3.32Å
333	G	48.3	Very low	58.7	Low	68 Å²	68	80 Å²	80	70%	0.701	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	17.5	179.4	0	0	0	0	0	115.1	K329 I330 L331	K329-G333 PolarHBondContact O-N 3.13Å; I330-G333 PolarHBondContact O-N 3.05Å; I330-G333 VanDerWaalsContact O-N 3.12Å; L331-G333 VanDerWaalsContact C-N 3.25Å; L331-G333 PolarHBondContact O-N 2.99Å
334	V	47.3	Very low	59.5	Low	109 Å²	109	81 Å²	81	66%	0.661	43%	0.432	S	S	*	.			trans	-85.8	-21.6	-173.3	173.9	0	0	0	0	112.5	K329 T332	K329-V334 PolarHBondContact O-N 3.02Å; T332-V334 VanDerWaalsContact C-N 3.27Å; T332-V334 PolarHBondContact O-N 3.07Å; T332-V334 WeakPolarHBondContact OG1-CG2 3.32Å
335	E	47.8	Very low	60.7	Low	29 Å²	29	79.9 Å²	79.9	14%	0.136	43%	0.427	C	S	.	.	S	Bend	trans	-128.8	132.7	-178.9	-165.6	178.6	-177	0	0	110.2	Q337 C449	E335-Q337 PolarHBondContact O-N 2.9Å; E335-C449 WeakPolarHBondContact OE1-CB 3.42Å
336	P	44.2	Very low	61.9	Low	114 Å²	114	79 Å²	79	74%	0.74	42%	0.415	S	S	*	.			trans	-67.8	124	-176.6	26.4	-34.1	0	0	0	111.8	V338	P336-V338 PolarHBondContact O-N 3.23Å
337	Q	52.8	Low	63.1	Low	111 Å²	111	79.7 Å²	79.7	52%	0.519	42%	0.417	S	S	.	.			trans	-66.5	115	180	-173.2	-173.3	35.4	0	0	111.3	E335 R339	E335-Q337 PolarHBondContact O-N 2.9Å; Q337-R339 HydrophobicContact CB-CG 4.46Å; Q337-R339 HydrophobicContact CG-CG 4Å; Q337-R339 PolarHBondContact O-N 3.21Å; Q337-R339 VanDerWaalsContact OE1-NE 3.07Å
338	V	55.5	Low	64.5	Low	68 Å²	68	81.5 Å²	81.5	41%	0.412	43%	0.428	S	S	.	.			trans	-69	94	167.3	-176.8	0	0	0	0	108.6	P336 L445	P336-V338 PolarHBondContact O-N 3.23Å; V338-L445 HydrophobicContact CB-CD1 4.04Å; V338-L445 HydrophobicContact CG2-CD1 4.42Å
339	R	56.5	Low	66.1	Low	180 Å²	180	80.7 Å²	80.7	68%	0.679	42%	0.423	S	S	*	.			trans	-82.1	148.6	174.2	-59.1	-174.3	-161.4	158.7	12.6	110.5	Q337	Q337-R339 HydrophobicContact CB-CG 4.46Å; Q337-R339 HydrophobicContact CG-CG 4Å; Q337-R339 PolarHBondContact O-N 3.21Å; Q337-R339 VanDerWaalsContact OE1-NE 3.07Å
340	D	72.2	Confident	67.6	Low	34 Å²	34	77.4 Å²	77.4	18%	0.182	41%	0.409	C	S	.	.			trans	-127.8	100.7	166.8	176.1	-26.6	0	0	0	105.6	V342 F343 D344 N490	D340-V342 PolarHBondContact O-N 3.19Å; D340-V342 PolarHBondContact OD1-N 2.93Å; D340-F343 HydrophobicContact CB-CB 3.9Å; D340-F343 PolarHBondContact O-N 3.34Å; D340-F343 PolarHBondContact OD1-N 3.4Å; D340-D344 WeakPolarHBondContact O-CB 3.29Å; D340-D344 PolarHBondContact O-N 3.48Å; D340-N490 PolarHBondContact OD2-ND2 3.08Å; D340-N490 PolarHBondContact OD2-OD1 3.37Å
341	E	77.6	Confident	69	Low	130 Å²	130	80.9 Å²	80.9	61%	0.607	42%	0.419	S	S	*	.	H	α-helix	trans	-62.9	-26.8	-173.8	-65.6	-164.7	-170.9	0	0	113.5	K345	E341-K345 WeakPolarHBondContact O-CB 3.3Å; E341-K345 WeakPolarHBondContact O-CD 3.3Å; E341-K345 WeakPolarHBondContact O-CE 3.03Å; E341-K345 WeakPolarHBondContact O-CG 3.35Å; E341-K345 PolarHBondContact O-N 3.16Å; E341-K345 VanDerWaalsContact O-N 3.15Å; E341-K345 IonicContact OE2-NZ 2.97Å; E341-K345 PolarHBondContact OE2-NZ 3.33Å
342	V	78.3	Confident	71	Confident	71 Å²	71	79 Å²	79	43%	0.43	42%	0.416	S	S	.	.	H	α-helix	trans	-73.4	-49.9	179.7	-172.7	0	0	0	0	108.2	D340 D344 K345 E346 V494	D340-V342 PolarHBondContact O-N 3.19Å; D340-V342 PolarHBondContact OD1-N 2.93Å; V342-D344 PolarHBondContact O-N 2.95Å; V342-K345 PolarHBondContact O-N 2.86Å; V342-E346 WeakPolarHBondContact O-CG 3.45Å; V342-E346 PolarHBondContact O-N 3.29Å; V342-V494 HydrophobicContact CB-CG1 4.5Å; V342-V494 HydrophobicContact CG1-CG1 3.68Å
343	F	82.1	Confident	72.8	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-58.8	-46.3	174.2	177.3	-91.1	0	0	0	112.5	D340 K345 E346 E347 I438 R441 Y442 L493 V494 L497	D340-F343 HydrophobicContact CB-CB 3.9Å; D340-F343 PolarHBondContact O-N 3.34Å; D340-F343 PolarHBondContact OD1-N 3.4Å; F343-K345 VanDerWaalsContact C-N 3.27Å; F343-K345 PolarHBondContact O-N 3.38Å; F343-E346 PolarHBondContact O-N 3.45Å; F343-E346 VanDerWaalsContact O-N 3.16Å; F343-E347 HydrophobicContact CE1-CB 4.05Å; F343-E347 WeakPolarHBondContact CE1-OE2 3.4Å; F343-E347 HydrophobicContact CZ-CB 4.1Å; F343-E347 WeakPolarHBondContact CZ-OE2 3.43Å; F343-E347 PolarHBondContact O-N 3.21Å; F343-I438 HydrophobicContact CE2-CG1 4.41Å; F343-I438 HydrophobicContact CZ-CG1 4.15Å; F343-I438 HydrophobicContact CZ-CG2 4.37Å; F343-R441 VanDerWaalsContact CE2-CD 3.49Å; F343-Y442 HydrophobicContact CE1-CE2 4.48Å; F343-L493 HydrophobicContact CE2-CB 4.49Å; F343-L493 HydrophobicContact CE2-CD2 3.57Å; F343-L493 HydrophobicContact CE2-CG 3.86Å; F343-L493 HydrophobicContact CZ-CD2 4.21Å; F343-V494 HydrophobicContact CB-CG2 3.8Å; F343-V494 HydrophobicContact CD2-CG2 4.21Å; F343-L497 HydrophobicContact CD2-CD1 4.22Å; F343-L497 HydrophobicContact CE2-CD1 3.69Å; F343-L497 HydrophobicContact CZ-CD1 4.5Å
344	D	79.8	Confident	74.8	Confident	55 Å²	55	73 Å²	73	29%	0.294	36%	0.364	S	S	.	.	H	α-helix	trans	-66	-30	-176.9	-65.6	-27.3	0	0	0	111.5	D340 V342 K348	D340-D344 WeakPolarHBondContact O-CB 3.29Å; D340-D344 PolarHBondContact O-N 3.48Å; V342-D344 PolarHBondContact O-N 2.95Å; D344-K348 WeakPolarHBondContact O-CB 3.21Å; D344-K348 PolarHBondContact O-N 2.71Å
345	K	84.3	Confident	76.7	Confident	121 Å²	121	75.2 Å²	75.2	53%	0.526	36%	0.364	S	S	.	.	H	α-helix	trans	-69.3	-46.4	170.8	-73	160.6	-159.9	161.5	0	111.4	E341 V342 F343 K348 L349	E341-K345 WeakPolarHBondContact O-CB 3.3Å; E341-K345 WeakPolarHBondContact O-CD 3.3Å; E341-K345 WeakPolarHBondContact O-CE 3.03Å; E341-K345 WeakPolarHBondContact O-CG 3.35Å; E341-K345 PolarHBondContact O-N 3.16Å; E341-K345 VanDerWaalsContact O-N 3.15Å; E341-K345 IonicContact OE2-NZ 2.97Å; E341-K345 PolarHBondContact OE2-NZ 3.33Å; V342-K345 PolarHBondContact O-N 2.86Å; F343-K345 VanDerWaalsContact C-N 3.27Å; F343-K345 PolarHBondContact O-N 3.38Å; K345-K348 PolarHBondContact O-N 2.66Å; K345-L349 PolarHBondContact O-N 2.87Å; K345-L349 VanDerWaalsContact O-N 3.08Å
346	E	84.7	Confident	78.6	Confident	34 Å²	34	75.8 Å²	75.8	16%	0.159	37%	0.374	C	S	.	.	H	α-helix	trans	-69.6	-37.5	-179.4	-67.2	-58.9	152.6	0	0	113.5	V342 F343 K348 L349 F350 L497 Q498 N501	V342-E346 WeakPolarHBondContact O-CG 3.45Å; V342-E346 PolarHBondContact O-N 3.29Å; F343-E346 PolarHBondContact O-N 3.45Å; F343-E346 VanDerWaalsContact O-N 3.16Å; E346-K348 VanDerWaalsContact C-N 3.34Å; E346-L349 PolarHBondContact O-N 3.08Å; E346-F350 VanDerWaalsContact O-CB 3.27Å; E346-F350 WeakPolarHBondContact O-CB 3.48Å; E346-F350 PolarHBondContact O-N 3.49Å; E346-L497 HydrophobicContact CB-CB 4.13Å; E346-L497 HydrophobicContact CB-CD1 4.46Å; E346-Q498 HydrophobicContact CG-CG 3.71Å; E346-Q498 WeakPolarHBondContact OE1-CG 3.18Å; E346-N501 PolarHBondContact O-ND2 3.25Å; E346-N501 PolarHBondContact OE2-ND2 3.13Å
347	E	84.4	Confident	80.8	Confident	14 Å²	14	70.3 Å²	70.3	7%	0.065	34%	0.339	C	S	.	.	H	α-helix	trans	-64.8	-39.5	173.2	177.5	171.3	155.5	0	0	111.2	F343 L349 F350 R351 I438 Y442	F343-E347 HydrophobicContact CE1-CB 4.05Å; F343-E347 WeakPolarHBondContact CE1-OE2 3.4Å; F343-E347 HydrophobicContact CZ-CB 4.1Å; F343-E347 WeakPolarHBondContact CZ-OE2 3.43Å; F343-E347 PolarHBondContact O-N 3.21Å; E347-L349 VanDerWaalsContact C-N 3.34Å; E347-L349 PolarHBondContact O-N 3.24Å; E347-F350 PolarHBondContact O-N 2.88Å; E347-R351 HydrophobicContact CG-CG 4.31Å; E347-R351 WeakPolarHBondContact O-CB 3.46Å; E347-R351 WeakPolarHBondContact O-CG 3.24Å; E347-R351 PolarHBondContact O-N 3Å; E347-R351 IonicContact OE1-CZ 2.82Å; E347-R351 IonicContact OE1-NE 2.9Å; E347-R351 PolarHBondContact OE1-NE 3.13Å; E347-R351 IonicContact OE1-NH2 3.18Å; E347-R351 PolarHBondContact OE1-NH2 2.83Å; E347-I438 HydrophobicContact CG-CD1 4.26Å; E347-I438 HydrophobicContact CG-CG2 4.44Å; E347-I438 WeakPolarHBondContact OE2-CG2 3.5Å; E347-Y442 WeakPolarHBondContact OE2-CE2 3.34Å; E347-Y442 PolarHBondContact OE2-OH 2.97Å
348	K	86.1	Confident	82.5	Confident	166 Å²	166	71.3 Å²	71.3	72%	0.722	34%	0.338	S	S	*	.	H	α-helix	trans	-63.2	-41.1	176.4	-174.9	179.2	179.1	-177.8	0	111.5	D344 K345 E346 S352	D344-K348 WeakPolarHBondContact O-CB 3.21Å; D344-K348 PolarHBondContact O-N 2.71Å; K345-K348 PolarHBondContact O-N 2.66Å; E346-K348 VanDerWaalsContact C-N 3.34Å; K348-S352 WeakPolarHBondContact O-CB 3.31Å; K348-S352 PolarHBondContact O-N 3.37Å
349	L	87.3	Confident	84.1	Confident	75 Å²	75	72.6 Å²	72.6	39%	0.393	34%	0.339	S	S	.	.	H	α-helix	trans	-65.2	-48.3	173.8	178.7	56.1	0	0	0	111.3	K345 E346 E347 R351 S352 L353 N501	K345-L349 PolarHBondContact O-N 2.87Å; K345-L349 VanDerWaalsContact O-N 3.08Å; E346-L349 PolarHBondContact O-N 3.08Å; E347-L349 VanDerWaalsContact C-N 3.34Å; E347-L349 PolarHBondContact O-N 3.24Å; L349-R351 PolarHBondContact O-N 3.4Å; L349-S352 WeakPolarHBondContact O-CA 3.5Å; L349-S352 WeakPolarHBondContact O-CB 3.3Å; L349-S352 PolarHBondContact O-N 3.22Å; L349-S352 VanDerWaalsContact O-N 3.08Å; L349-L353 HydrophobicContact CD1-CD1 4.04Å; L349-L353 HydrophobicContact CD1-CG 4.11Å; L349-L353 HydrophobicContact CG-CD1 3.95Å; L349-L353 HydrophobicContact CG-CG 4.47Å; L349-L353 WeakPolarHBondContact O-CG 3.3Å; L349-L353 PolarHBondContact O-N 3.35Å; L349-N501 HydrophobicContact CD2-CB 3.84Å; L349-N501 HydrophobicContact CG-CB 4.15Å
350	F	91.6	Very high	85.6	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-53.6	-49.8	177.2	174.9	-93.9	0	0	0	112.4	E346 E347 S352 L353 E354 F431 P434 Q435 I438 L497 F500 N501	E346-F350 VanDerWaalsContact O-CB 3.27Å; E346-F350 WeakPolarHBondContact O-CB 3.48Å; E346-F350 PolarHBondContact O-N 3.49Å; E347-F350 PolarHBondContact O-N 2.88Å; F350-S352 VanDerWaalsContact C-N 3.3Å; F350-S352 PolarHBondContact O-N 2.96Å; F350-L353 PolarHBondContact O-N 3.17Å; F350-E354 WeakPolarHBondContact O-CB 3.37Å; F350-E354 PolarHBondContact O-N 2.95Å; F350-F431 AromaticContact CD2-CD1 4Å; F350-F431 HydrophobicContact CD2-CD1 4Å; F350-F431 HydrophobicContact CD2-CE1 4.13Å; F350-F431 HydrophobicContact CE1-CD1 4.18Å; F350-F431 AromaticContact CE2-CD1 3.44Å; F350-F431 HydrophobicContact CE2-CD1 3.44Å; F350-F431 VanDerWaalsContact CE2-CD1 3.44Å; F350-F431 HydrophobicContact CE2-CE1 4.02Å; F350-F431 HydrophobicContact CE2-CG 4.38Å; F350-F431 HydrophobicContact CZ-CB 4.22Å; F350-F431 AromaticContact CZ-CD1 3.56Å; F350-F431 HydrophobicContact CZ-CD1 3.56Å; F350-F431 HydrophobicContact CZ-CE1 4.45Å; F350-F431 HydrophobicContact CZ-CG 4.35Å; F350-P434 HydrophobicContact CE2-CB 3.6Å; F350-P434 HydrophobicContact CE2-CG 4.15Å; F350-P434 HydrophobicContact CZ-CB 3.8Å; F350-Q435 HydrophobicContact CE1-CB 4.12Å; F350-Q435 HydrophobicContact CZ-CB 4.14Å; F350-I438 HydrophobicContact CD1-CD1 3.58Å; F350-I438 HydrophobicContact CE1-CD1 3.65Å; F350-I438 HydrophobicContact CG-CD1 4.2Å; F350-I438 HydrophobicContact CZ-CD1 4.29Å; F350-L497 HydrophobicContact CB-CD2 4.22Å; F350-L497 HydrophobicContact CD2-CD2 3.54Å; F350-L497 HydrophobicContact CE2-CD2 4.02Å; F350-L497 HydrophobicContact CG-CD2 3.91Å; F350-F500 AromaticContact CD2-CD1 3.78Å; F350-F500 HydrophobicContact CD2-CD1 3.78Å; F350-F500 AromaticContact CD2-CE1 3.81Å; F350-F500 HydrophobicContact CD2-CE1 3.81Å; F350-F500 AromaticContact CE2-CD1 3.82Å; F350-F500 HydrophobicContact CE2-CD1 3.82Å; F350-F500 AromaticContact CE2-CE1 3.55Å; F350-F500 HydrophobicContact CE2-CE1 3.55Å; F350-F500 HydrophobicContact CE2-CZ 4.29Å; F350-N501 VanDerWaalsContact CA-OD1 3.24Å; F350-N501 WeakPolarHBondContact CA-OD1 3.32Å; F350-N501 WeakPolarHBondContact CB-OD1 3.18Å
351	R	88.6	Confident	86.4	Confident	116 Å²	116	64.1 Å²	64.1	44%	0.438	31%	0.308	S	S	.	.	H	α-helix	trans	-65.7	-31.5	178.1	-69.9	179.7	-178.1	-76.8	3.5	112.9	E347 L349 K355	E347-R351 HydrophobicContact CG-CG 4.31Å; E347-R351 WeakPolarHBondContact O-CB 3.46Å; E347-R351 WeakPolarHBondContact O-CG 3.24Å; E347-R351 PolarHBondContact O-N 3Å; E347-R351 IonicContact OE1-CZ 2.82Å; E347-R351 IonicContact OE1-NE 2.9Å; E347-R351 PolarHBondContact OE1-NE 3.13Å; E347-R351 IonicContact OE1-NH2 3.18Å; E347-R351 PolarHBondContact OE1-NH2 2.83Å; L349-R351 PolarHBondContact O-N 3.4Å; R351-K355 PolarHBondContact O-N 3.23Å
352	S	90.8	Very high	86.9	Confident	76 Å²	76	64.3 Å²	64.3	53%	0.531	31%	0.307	S	S	.	.	H	α-helix	trans	-67.7	-47.1	173.7	-166	0	0	0	0	111.2	K348 L349 F350 K355 A356	K348-S352 WeakPolarHBondContact O-CB 3.31Å; K348-S352 PolarHBondContact O-N 3.37Å; L349-S352 WeakPolarHBondContact O-CA 3.5Å; L349-S352 WeakPolarHBondContact O-CB 3.3Å; L349-S352 PolarHBondContact O-N 3.22Å; L349-S352 VanDerWaalsContact O-N 3.08Å; F350-S352 VanDerWaalsContact C-N 3.3Å; F350-S352 PolarHBondContact O-N 2.96Å; S352-K355 PolarHBondContact O-N 3.36Å; S352-A356 WeakPolarHBondContact O-CB 3.25Å; S352-A356 PolarHBondContact O-N 2.85Å
353	L	89.6	Confident	87.3	Confident	7 Å²	7	65.1 Å²	65.1	4%	0.037	31%	0.309	C	S	.	.	H	α-helix	trans	-62.3	-43.3	176.8	-69.1	169.1	0	0	0	111.8	L349 F350 K355 A356 V357 F431 N501 A504 Y505 L508	L349-L353 HydrophobicContact CD1-CD1 4.04Å; L349-L353 HydrophobicContact CD1-CG 4.11Å; L349-L353 HydrophobicContact CG-CD1 3.95Å; L349-L353 HydrophobicContact CG-CG 4.47Å; L349-L353 WeakPolarHBondContact O-CG 3.3Å; L349-L353 PolarHBondContact O-N 3.35Å; F350-L353 PolarHBondContact O-N 3.17Å; L353-K355 VanDerWaalsContact C-N 3.3Å; L353-K355 PolarHBondContact O-N 3.21Å; L353-A356 PolarHBondContact O-N 2.62Å; L353-V357 WeakPolarHBondContact O-CB 3.18Å; L353-V357 WeakPolarHBondContact O-CG2 3.25Å; L353-V357 PolarHBondContact O-N 3.29Å; L353-F431 HydrophobicContact CB-CE1 4.08Å; L353-F431 HydrophobicContact CB-CZ 3.95Å; L353-N501 HydrophobicContact CD1-CB 3.99Å; L353-N501 WeakPolarHBondContact CD1-O 3.47Å; L353-A504 HydrophobicContact CD1-CB 4.24Å; L353-Y505 HydrophobicContact CD2-CD2 4.15Å; L353-L508 HydrophobicContact CD2-CD2 4.07Å
354	E	88.4	Confident	87.5	Confident	22 Å²	22	65.3 Å²	65.3	10%	0.103	31%	0.31	C	S	.	.	H	α-helix	trans	-56.8	-45.6	176.6	-168.7	-167.5	158	0	0	111.2	F350 R358 F431 Q435	F350-E354 WeakPolarHBondContact O-CB 3.37Å; F350-E354 PolarHBondContact O-N 2.95Å; E354-R358 WeakPolarHBondContact O-CB 3.37Å; E354-R358 PolarHBondContact O-N 3.33Å; E354-R358 VanDerWaalsContact O-N 3.14Å; E354-R358 IonicContact OE1-CZ 4Å; E354-R358 IonicContact OE1-NH2 3.57Å; E354-R358 PolarHBondContact OE1-NH2 3.17Å; E354-F431 VanDerWaalsContact CA-CE1 3.44Å; E354-F431 HydrophobicContact CB-CD1 3.54Å; E354-F431 HydrophobicContact CB-CE1 3.61Å; E354-F431 HydrophobicContact CB-CG 4.12Å; E354-F431 HydrophobicContact CB-CZ 4.21Å; E354-F431 HydrophobicContact CG-CB 4.11Å; E354-F431 HydrophobicContact CG-CD1 3.77Å; E354-F431 HydrophobicContact CG-CD2 4.38Å; E354-F431 HydrophobicContact CG-CE1 4.28Å; E354-F431 HydrophobicContact CG-CG 3.85Å; E354-F431 VanDerWaalsContact N-CE1 3.31Å; E354-Q435 PolarHBondContact OE1-NE2 3.45Å; E354-Q435 PolarHBondContact OE2-NE2 2.84Å
355	K	87.9	Confident	87.9	Confident	156 Å²	156	65.9 Å²	65.9	68%	0.678	31%	0.313	S	S	*	.	H	α-helix	trans	-66.8	-42.5	177.4	-173.3	-179.8	178.7	-176.7	0	111.6	R351 S352 L353 Q359	R351-K355 PolarHBondContact O-N 3.23Å; S352-K355 PolarHBondContact O-N 3.36Å; L353-K355 VanDerWaalsContact C-N 3.3Å; L353-K355 PolarHBondContact O-N 3.21Å; K355-Q359 VanDerWaalsContact O-CB 3.28Å; K355-Q359 WeakPolarHBondContact O-CB 3.35Å; K355-Q359 PolarHBondContact O-N 2.99Å
356	A	88.4	Confident	87.9	Confident	41 Å²	41	63.1 Å²	63.1	34%	0.339	31%	0.308	S	S	.	.	H	α-helix	trans	-65.7	-48.5	-179	0	0	0	0	0	112.3	S352 L353 Q359 L360 L508	S352-A356 WeakPolarHBondContact O-CB 3.25Å; S352-A356 PolarHBondContact O-N 2.85Å; L353-A356 PolarHBondContact O-N 2.62Å; A356-Q359 PolarHBondContact O-N 2.99Å; A356-L360 WeakPolarHBondContact O-CB 3.26Å; A356-L360 PolarHBondContact O-N 3.05Å; A356-L508 HydrophobicContact CB-CD2 3.82Å
357	V	90.8	Very high	87.9	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-59.5	-49.4	176.8	171.4	0	0	0	0	110.6	L353 Q359 L360 A361 L424 L427 Q428 F431 L508	L353-V357 WeakPolarHBondContact O-CB 3.18Å; L353-V357 WeakPolarHBondContact O-CG2 3.25Å; L353-V357 PolarHBondContact O-N 3.29Å; V357-Q359 VanDerWaalsContact C-N 3.34Å; V357-Q359 PolarHBondContact O-N 3.03Å; V357-L360 PolarHBondContact O-N 3.25Å; V357-A361 WeakPolarHBondContact O-CB 3.42Å; V357-A361 PolarHBondContact O-N 2.95Å; V357-L424 HydrophobicContact CG1-CB 4.46Å; V357-L424 HydrophobicContact CG1-CD2 4.08Å; V357-L424 WeakPolarHBondContact CG1-O 3.23Å; V357-L427 HydrophobicContact CG1-CB 4.43Å; V357-L427 HydrophobicContact CG1-CD2 4.23Å; V357-L427 HydrophobicContact CG1-CG 4.28Å; V357-L427 HydrophobicContact CG2-CD2 3.65Å; V357-L427 HydrophobicContact CG2-CG 4.32Å; V357-Q428 HydrophobicContact CG1-CB 4.14Å; V357-F431 HydrophobicContact CB-CE2 4.18Å; V357-F431 HydrophobicContact CG1-CE2 4.35Å; V357-F431 HydrophobicContact CG2-CE2 4.08Å; V357-F431 HydrophobicContact CG2-CZ 4.27Å; V357-L508 HydrophobicContact CG2-CB 4.38Å; V357-L508 HydrophobicContact CG2-CD1 4.11Å; V357-L508 HydrophobicContact CG2-CD2 4.35Å
358	R	88.4	Confident	87.9	Confident	132 Å²	132	65.4 Å²	65.4	50%	0.498	32%	0.316	S	S	.	.	H	α-helix	trans	-60.7	-40.6	179.2	-168.9	-166.2	-60.7	-160	1	112.4	E354 K362	E354-R358 WeakPolarHBondContact O-CB 3.37Å; E354-R358 PolarHBondContact O-N 3.33Å; E354-R358 VanDerWaalsContact O-N 3.14Å; E354-R358 IonicContact OE1-CZ 4Å; E354-R358 IonicContact OE1-NH2 3.57Å; E354-R358 PolarHBondContact OE1-NH2 3.17Å; R358-K362 PolarHBondContact O-N 2.91Å
359	Q	88.5	Confident	87.6	Confident	95 Å²	95	62.3 Å²	62.3	44%	0.444	30%	0.304	S	S	.	.	H	α-helix	trans	-72.4	-40.9	178.7	-171.2	64.9	61.4	0	0	112	K355 A356 V357 K362 N363	K355-Q359 VanDerWaalsContact O-CB 3.28Å; K355-Q359 WeakPolarHBondContact O-CB 3.35Å; K355-Q359 PolarHBondContact O-N 2.99Å; A356-Q359 PolarHBondContact O-N 2.99Å; V357-Q359 VanDerWaalsContact C-N 3.34Å; V357-Q359 PolarHBondContact O-N 3.03Å; Q359-K362 PolarHBondContact O-N 3.27Å; Q359-N363 PolarHBondContact NE2-OD1 3.45Å; Q359-N363 WeakPolarHBondContact O-CB 3.31Å; Q359-N363 PolarHBondContact O-N 2.77Å; Q359-N363 PolarHBondContact O-OD1 3.07Å
360	L	87.7	Confident	87.2	Confident	29 Å²	29	65.2 Å²	65.2	15%	0.152	31%	0.311	C	S	.	.	H	α-helix	trans	-65.8	-44.9	178.1	-174.2	63.1	0	0	0	111.1	A356 V357 K362 N363 V364 L424 L508 C511 V512 L515	A356-L360 WeakPolarHBondContact O-CB 3.26Å; A356-L360 PolarHBondContact O-N 3.05Å; V357-L360 PolarHBondContact O-N 3.25Å; L360-K362 VanDerWaalsContact C-N 3.33Å; L360-K362 PolarHBondContact O-N 2.85Å; L360-N363 PolarHBondContact O-N 3.26Å; L360-V364 HydrophobicContact CD1-CG2 4.01Å; L360-V364 HydrophobicContact CG-CG2 4.22Å; L360-V364 WeakPolarHBondContact O-CB 3.18Å; L360-V364 VanDerWaalsContact O-CG2 3.32Å; L360-V364 WeakPolarHBondContact O-CG2 3.39Å; L360-V364 PolarHBondContact O-N 2.8Å; L360-L424 HydrophobicContact CB-CD1 4.16Å; L360-L424 HydrophobicContact CD2-CD1 3.73Å; L360-L424 HydrophobicContact CD2-CD2 4.12Å; L360-L424 HydrophobicContact CG-CD1 3.69Å; L360-L508 HydrophobicContact CD2-CD1 3.61Å; L360-C511 HydrophobicContact CD2-CB 4.5Å; L360-V512 HydrophobicContact CD2-CG2 3.68Å; L360-L515 HydrophobicContact CD1-CD2 4.04Å
361	A	89.3	Confident	86.4	Confident	7 Å²	7	65.7 Å²	65.7	6%	0.058	31%	0.314	C	S	.	.	H	α-helix	trans	-55.8	-47	175.3	0	0	0	0	0	111.7	V357 N365 L424	V357-A361 WeakPolarHBondContact O-CB 3.42Å; V357-A361 PolarHBondContact O-N 2.95Å; A361-N365 WeakPolarHBondContact O-CB 3.29Å; A361-N365 PolarHBondContact O-N 3.09Å; A361-L424 HydrophobicContact CB-CB 4.05Å
362	K	87.8	Confident	85.7	Confident	133 Å²	133	64.7 Å²	64.7	58%	0.578	31%	0.314	S	S	*	.	H	α-helix	trans	-61.1	-48.1	175.4	-175.3	179	178.4	-178.4	0	111.9	R358 Q359 L360 N365 C366	R358-K362 PolarHBondContact O-N 2.91Å; Q359-K362 PolarHBondContact O-N 3.27Å; L360-K362 VanDerWaalsContact C-N 3.33Å; L360-K362 PolarHBondContact O-N 2.85Å; K362-N365 PolarHBondContact O-N 3.08Å; K362-C366 PolarHBondContact O-N 3.33Å; K362-C366 PolarHBondContact O-SG 3.32Å; K362-C366 VanDerWaalsContact O-SG 3.37Å
363	N	86.4	Confident	84.9	Confident	88 Å²	88	67.2 Å²	67.2	47%	0.471	32%	0.317	S	S	.	.	H	α-helix	trans	-62.5	-45.2	-177.8	-72.4	5.1	0	0	0	111.8	Q359 L360 C366 Y367	Q359-N363 PolarHBondContact NE2-OD1 3.45Å; Q359-N363 WeakPolarHBondContact O-CB 3.31Å; Q359-N363 PolarHBondContact O-N 2.77Å; Q359-N363 PolarHBondContact O-OD1 3.07Å; L360-N363 PolarHBondContact O-N 3.26Å; N363-C366 PolarHBondContact O-N 2.84Å; N363-Y367 WeakPolarHBondContact O-CB 3.29Å; N363-Y367 PolarHBondContact O-N 3.11Å
364	V	87.6	Confident	84.1	Confident	4 Å²	4	71 Å²	71	2%	0.024	34%	0.336	C	S	.	.	H	α-helix	trans	-64.9	-42.1	178.2	174.7	0	0	0	0	110.8	L360 Y367 V368 M416 V420 L421 L515	L360-V364 HydrophobicContact CD1-CG2 4.01Å; L360-V364 HydrophobicContact CG-CG2 4.22Å; L360-V364 WeakPolarHBondContact O-CB 3.18Å; L360-V364 VanDerWaalsContact O-CG2 3.32Å; L360-V364 WeakPolarHBondContact O-CG2 3.39Å; L360-V364 PolarHBondContact O-N 2.8Å; V364-Y367 PolarHBondContact O-N 3.14Å; V364-V368 HydrophobicContact CG1-CG2 4.47Å; V364-V368 WeakPolarHBondContact O-CG2 3.36Å; V364-V368 PolarHBondContact O-N 3.01Å; V364-M416 HydrophobicContact CG1-CE 4.09Å; V364-M416 HydrophobicContact CG1-CG 3.61Å; V364-M416 HydrophobicContact CG1-SD 3.83Å; V364-V420 HydrophobicContact CB-CG1 4.47Å; V364-V420 HydrophobicContact CG1-CB 4.45Å; V364-V420 HydrophobicContact CG1-CG1 3.98Å; V364-V420 HydrophobicContact CG2-CG1 3.96Å; V364-L421 HydrophobicContact CB-CD2 3.93Å; V364-L421 HydrophobicContact CB-CG 4.48Å; V364-L421 HydrophobicContact CG1-CD1 4.23Å; V364-L421 HydrophobicContact CG1-CD2 3.73Å; V364-L421 HydrophobicContact CG1-CG 3.74Å; V364-L515 HydrophobicContact CG2-CD1 4.26Å; V364-L515 HydrophobicContact CG2-CD2 4.05Å
365	N	86.6	Confident	83.4	Confident	68 Å²	68	72.3 Å²	72.3	36%	0.364	35%	0.345	S	S	.	.	H	α-helix	trans	-63.3	-46.2	178	-174.7	86.9	0	0	0	111.8	A361 K362 Y367 V368 Q369 L421	A361-N365 WeakPolarHBondContact O-CB 3.29Å; A361-N365 PolarHBondContact O-N 3.09Å; K362-N365 PolarHBondContact O-N 3.08Å; N365-Y367 VanDerWaalsContact C-N 3.3Å; N365-Y367 PolarHBondContact O-N 3.15Å; N365-V368 PolarHBondContact O-N 3.3Å; N365-Q369 VanDerWaalsContact ND2-CD 3.3Å; N365-Q369 PolarHBondContact ND2-NE2 3.46Å; N365-Q369 PolarHBondContact ND2-OE1 3.21Å; N365-Q369 VanDerWaalsContact O-CG 3.31Å; N365-Q369 WeakPolarHBondContact O-CG 2.96Å; N365-Q369 PolarHBondContact O-N 3.1Å; N365-L421 HydrophobicContact CB-CD2 3.97Å
366	C	84.9	Confident	82.5	Confident	62 Å²	62	68.3 Å²	68.3	42%	0.419	34%	0.335	S	S	.	.	H	α-helix	trans	-63.7	-35	175.2	-68.1	0	0	0	0	112.4	K362 N363 Y370	K362-C366 PolarHBondContact O-N 3.33Å; K362-C366 PolarHBondContact O-SG 3.32Å; K362-C366 VanDerWaalsContact O-SG 3.37Å; N363-C366 PolarHBondContact O-N 2.84Å; C366-Y370 WeakPolarHBondContact O-CB 3.49Å; C366-Y370 PolarHBondContact O-N 3.32Å
367	Y	84.6	Confident	81.7	Confident	91 Å²	91	70.4 Å²	70.4	36%	0.357	34%	0.344	S	S	.	.	H	α-helix	trans	-64.8	-49.2	175.1	-175.9	-90.5	0	0	0	111.7	N363 V364 N365 Q369 Y370 T371 F412 M416 L519	N363-Y367 WeakPolarHBondContact O-CB 3.29Å; N363-Y367 PolarHBondContact O-N 3.11Å; V364-Y367 PolarHBondContact O-N 3.14Å; N365-Y367 VanDerWaalsContact C-N 3.3Å; N365-Y367 PolarHBondContact O-N 3.15Å; Y367-Q369 VanDerWaalsContact C-N 3.3Å; Y367-Q369 PolarHBondContact O-N 2.84Å; Y367-Y370 PolarHBondContact O-N 2.97Å; Y367-T371 HydrophobicContact CD1-CG2 4.06Å; Y367-T371 HydrophobicContact CE1-CG2 3.51Å; Y367-T371 HydrophobicContact CE2-CG2 4.18Å; Y367-T371 PolarHBondContact O-N 3.06Å; Y367-T371 PolarHBondContact O-OG1 2.98Å; Y367-T371 VanDerWaalsContact O-OG1 3.07Å; Y367-F412 HydrophobicContact CD1-CZ 4.46Å; Y367-F412 HydrophobicContact CE1-CE1 4.08Å; Y367-F412 AromaticContact CE1-CZ 3.83Å; Y367-F412 HydrophobicContact CE1-CZ 3.83Å; Y367-M416 HydrophobicContact CD1-CE 3.99Å; Y367-M416 HydrophobicContact CE1-CE 4.36Å; Y367-L519 HydrophobicContact CE1-CD2 3.61Å; Y367-L519 WeakPolarHBondContact OH-CD2 3.41Å
368	V	83.8	Confident	80.7	Confident	5 Å²	5	73 Å²	73	3%	0.03	37%	0.365	C	S	.	.	H	α-helix	trans	-60.5	-38.8	177.8	171.8	0	0	0	0	111.9	V364 N365 T371 Q372 Y409 K413 M416 L421	V364-V368 HydrophobicContact CG1-CG2 4.47Å; V364-V368 WeakPolarHBondContact O-CG2 3.36Å; V364-V368 PolarHBondContact O-N 3.01Å; N365-V368 PolarHBondContact O-N 3.3Å; V368-T371 WeakPolarHBondContact CA-OG1 3.26Å; V368-T371 PolarHBondContact O-OG1 3.36Å; V368-Q372 WeakPolarHBondContact O-CB 3.33Å; V368-Q372 PolarHBondContact O-N 3.12Å; V368-Y409 PolarHBondContact O-OH 2.96Å; V368-K413 HydrophobicContact CG1-CD 4.13Å; V368-K413 HydrophobicContact CG1-CG 3.86Å; V368-M416 HydrophobicContact CG2-CB 4.12Å; V368-M416 HydrophobicContact CG2-CE 4.25Å; V368-M416 HydrophobicContact CG2-CG 3.63Å; V368-L421 HydrophobicContact CG2-CD1 4.42Å
369	Q	81.1	Confident	79.8	Confident	102 Å²	102	69.5 Å²	69.5	48%	0.477	37%	0.365	S	S	.	.	H	α-helix	trans	-63.1	-50.6	174	-72.8	172	-25.5	0	0	111.1	N365 Y367 T371 Q372 E373	N365-Q369 VanDerWaalsContact ND2-CD 3.3Å; N365-Q369 PolarHBondContact ND2-NE2 3.46Å; N365-Q369 PolarHBondContact ND2-OE1 3.21Å; N365-Q369 VanDerWaalsContact O-CG 3.31Å; N365-Q369 WeakPolarHBondContact O-CG 2.96Å; N365-Q369 PolarHBondContact O-N 3.1Å; Y367-Q369 VanDerWaalsContact C-N 3.3Å; Y367-Q369 PolarHBondContact O-N 2.84Å; Q369-T371 PolarHBondContact O-N 3.02Å; Q369-Q372 WeakPolarHBondContact O-CB 3.22Å; Q369-Q372 PolarHBondContact O-N 3.26Å; Q369-Q372 VanDerWaalsContact O-N 3.14Å; Q369-E373 PolarHBondContact O-N 3.34Å
370	Y	79.2	Confident	78.9	Confident	136 Å²	136	69.4 Å²	69.4	53%	0.533	36%	0.364	S	S	.	.	H	α-helix	trans	-61.2	-42.1	179	-179.2	-108.5	0	0	0	113	C366 Y367 Q372 E373 M374	C366-Y370 WeakPolarHBondContact O-CB 3.49Å; C366-Y370 PolarHBondContact O-N 3.32Å; Y367-Y370 PolarHBondContact O-N 2.97Å; Y370-Q372 VanDerWaalsContact C-N 3.31Å; Y370-Q372 PolarHBondContact O-N 3.42Å; Y370-E373 PolarHBondContact O-N 2.9Å; Y370-M374 HydrophobicContact CD1-CG 4.37Å; Y370-M374 HydrophobicContact CD2-CE 4.46Å; Y370-M374 HydrophobicContact CD2-CG 4.01Å; Y370-M374 HydrophobicContact CE1-CG 4.02Å; Y370-M374 HydrophobicContact CE2-CE 3.93Å; Y370-M374 HydrophobicContact CE2-CG 3.6Å; Y370-M374 HydrophobicContact CE2-SD 4.09Å; Y370-M374 HydrophobicContact CG-CG 4.37Å; Y370-M374 WeakPolarHBondContact O-CB 3.38Å; Y370-M374 VanDerWaalsContact O-CG 3.26Å; Y370-M374 WeakPolarHBondContact O-CG 3.32Å; Y370-M374 PolarHBondContact O-N 3.18Å; Y370-M374 VanDerWaalsContact O-N 3.07Å
371	T	73.8	Confident	77.8	Confident	10 Å²	10	72.4 Å²	72.4	6%	0.061	38%	0.38	C	S	.	.	H	α-helix	trans	-69.4	-27.9	176.4	51.5	0	0	0	0	113	Y367 V368 Q369 E373 V375 Y409	Y367-T371 HydrophobicContact CD1-CG2 4.06Å; Y367-T371 HydrophobicContact CE1-CG2 3.51Å; Y367-T371 HydrophobicContact CE2-CG2 4.18Å; Y367-T371 PolarHBondContact O-N 3.06Å; Y367-T371 PolarHBondContact O-OG1 2.98Å; Y367-T371 VanDerWaalsContact O-OG1 3.07Å; V368-T371 WeakPolarHBondContact CA-OG1 3.26Å; V368-T371 PolarHBondContact O-OG1 3.36Å; Q369-T371 PolarHBondContact O-N 3.02Å; T371-E373 VanDerWaalsContact C-N 3.29Å; T371-E373 PolarHBondContact O-N 3.48Å; T371-V375 VanDerWaalsContact O-CB 3.3Å; T371-V375 WeakPolarHBondContact O-CB 3.23Å; T371-V375 VanDerWaalsContact O-CG2 3.26Å; T371-V375 WeakPolarHBondContact O-CG2 3.46Å; T371-V375 PolarHBondContact O-N 3.42Å; T371-Y409 WeakPolarHBondContact OG1-CE2 3.43Å; T371-Y409 PolarHBondContact OG1-OH 3.46Å
372	Q	74.7	Confident	76.8	Confident	95 Å²	95	76.2 Å²	76.2	44%	0.444	40%	0.403	S	S	.	.	H	α-helix	trans	-66.7	-32.7	176.3	-175	179.5	-52.2	0	0	112.1	V368 Q369 Y370 P376 Y409	V368-Q372 WeakPolarHBondContact O-CB 3.33Å; V368-Q372 PolarHBondContact O-N 3.12Å; Q369-Q372 WeakPolarHBondContact O-CB 3.22Å; Q369-Q372 PolarHBondContact O-N 3.26Å; Q369-Q372 VanDerWaalsContact O-N 3.14Å; Y370-Q372 VanDerWaalsContact C-N 3.31Å; Y370-Q372 PolarHBondContact O-N 3.42Å; Q372-P376 VanDerWaalsContact O-CD 3.31Å; Q372-P376 WeakPolarHBondContact O-CD 3.47Å; Q372-P376 WeakPolarHBondContact O-CG 3.4Å; Q372-Y409 WeakPolarHBondContact CA-OH 3.31Å; Q372-Y409 HydrophobicContact CB-CE1 3.98Å; Q372-Y409 HydrophobicContact CG-CE1 4.26Å; Q372-Y409 PolarHBondContact N-OH 2.9Å
373	E	73.9	Confident	75.8	Confident	128 Å²	128	72.8 Å²	72.8	60%	0.598	39%	0.388	S	S	*	.	H	α-helix	trans	-81	-42.1	176.6	-66.1	171.6	-176.9	0	0	111.6	Q369 Y370 T371	Q369-E373 PolarHBondContact O-N 3.34Å; Y370-E373 PolarHBondContact O-N 2.9Å; T371-E373 VanDerWaalsContact C-N 3.29Å; T371-E373 PolarHBondContact O-N 3.48Å
374	M	72.6	Confident	74.8	Confident	88 Å²	88	71.6 Å²	71.6	43%	0.433	38%	0.381	S	S	.	.	H	α-helix	trans	-85.3	-36.5	-169.8	-63.1	-70	139.1	0	0	114.8	Y370 V377 A378	Y370-M374 HydrophobicContact CD1-CG 4.37Å; Y370-M374 HydrophobicContact CD2-CE 4.46Å; Y370-M374 HydrophobicContact CD2-CG 4.01Å; Y370-M374 HydrophobicContact CE1-CG 4.02Å; Y370-M374 HydrophobicContact CE2-CE 3.93Å; Y370-M374 HydrophobicContact CE2-CG 3.6Å; Y370-M374 HydrophobicContact CE2-SD 4.09Å; Y370-M374 HydrophobicContact CG-CG 4.37Å; Y370-M374 WeakPolarHBondContact O-CB 3.38Å; Y370-M374 VanDerWaalsContact O-CG 3.26Å; Y370-M374 WeakPolarHBondContact O-CG 3.32Å; Y370-M374 PolarHBondContact O-N 3.18Å; Y370-M374 VanDerWaalsContact O-N 3.07Å; M374-V377 PolarHBondContact O-N 3.08Å; M374-A378 PolarHBondContact O-N 3.39Å
375	V	72.9	Confident	73.7	Confident	48 Å²	48	76.4 Å²	76.4	29%	0.291	41%	0.405	S	S	.	.	H	α-helix	trans	-66.7	-41.4	-173.7	176	0	0	0	0	113	T371 V377 A378 A379 Y409	T371-V375 VanDerWaalsContact O-CB 3.3Å; T371-V375 WeakPolarHBondContact O-CB 3.23Å; T371-V375 VanDerWaalsContact O-CG2 3.26Å; T371-V375 WeakPolarHBondContact O-CG2 3.46Å; T371-V375 PolarHBondContact O-N 3.42Å; V375-V377 VanDerWaalsContact C-N 3.34Å; V375-V377 PolarHBondContact O-N 3.21Å; V375-A378 PolarHBondContact O-N 3.34Å; V375-A379 WeakPolarHBondContact O-CB 3.21Å; V375-A379 PolarHBondContact O-N 3.07Å; V375-Y409 HydrophobicContact CB-CD2 4.05Å; V375-Y409 HydrophobicContact CB-CG 4.17Å; V375-Y409 HydrophobicContact CG1-CD2 4.1Å; V375-Y409 HydrophobicContact CG1-CG 4.02Å; V375-Y409 HydrophobicContact CG2-CD2 3.94Å; V375-Y409 HydrophobicContact CG2-CE2 4.29Å
376	P	70.3	Confident	72.7	Confident	73 Å²	73	78.7 Å²	78.7	47%	0.474	41%	0.413	S	S	.	.	H	α-helix	trans	-61.7	-39.5	175.1	-24.4	35.7	0	0	0	113	Q372 A379 Q380	Q372-P376 VanDerWaalsContact O-CD 3.31Å; Q372-P376 WeakPolarHBondContact O-CD 3.47Å; Q372-P376 WeakPolarHBondContact O-CG 3.4Å; P376-A379 PolarHBondContact O-N 2.99Å; P376-Q380 WeakPolarHBondContact O-CB 3.11Å; P376-Q380 PolarHBondContact O-N 3.4Å
377	V	71.2	Confident	71.8	Confident	84 Å²	84	79.5 Å²	79.5	51%	0.509	41%	0.414	S	S	.	.	H	α-helix	trans	-66.1	-45.8	177.7	179.2	0	0	0	0	110.7	M374 V375 A379 Q380 N381	M374-V377 PolarHBondContact O-N 3.08Å; V375-V377 VanDerWaalsContact C-N 3.34Å; V375-V377 PolarHBondContact O-N 3.21Å; V377-A379 VanDerWaalsContact C-N 3.35Å; V377-A379 PolarHBondContact O-N 3.24Å; V377-Q380 PolarHBondContact O-N 2.9Å; V377-N381 PolarHBondContact O-N 3.49Å; V377-N381 PolarHBondContact O-OD1 3.09Å
378	A	69.1	Low	70.9	Confident	54 Å²	54	81.5 Å²	81.5	45%	0.446	43%	0.428	S	S	.	.	H	α-helix	trans	-61.6	-41.8	176.4	0	0	0	0	0	112.3	M374 V375 N381 V382	M374-A378 PolarHBondContact O-N 3.39Å; V375-A378 PolarHBondContact O-N 3.34Å; A378-N381 PolarHBondContact O-N 3.06Å; A378-V382 WeakPolarHBondContact O-CG2 3.27Å; A378-V382 PolarHBondContact O-N 3.16Å; A378-V382 VanDerWaalsContact O-N 3.07Å
379	A	70.7	Confident	70.1	Confident	60 Å²	60	86 Å²	86	50%	0.496	45%	0.451	S	S	.	.	H	α-helix	trans	-66.3	-37.3	177.3	0	0	0	0	0	112.7	V375 P376 V377 K383	V375-A379 WeakPolarHBondContact O-CB 3.21Å; V375-A379 PolarHBondContact O-N 3.07Å; P376-A379 PolarHBondContact O-N 2.99Å; V377-A379 VanDerWaalsContact C-N 3.35Å; V377-A379 PolarHBondContact O-N 3.24Å; A379-K383 PolarHBondContact O-N 3.06Å
380	Q	68.4	Low	69.3	Low	92 Å²	92	86 Å²	86	43%	0.43	46%	0.458	S	S	.	.	H	α-helix	trans	-65.9	-50.4	174.6	-175	56.2	44.2	0	0	110.8	P376 V377 V382 K383 D384	P376-Q380 WeakPolarHBondContact O-CB 3.11Å; P376-Q380 PolarHBondContact O-N 3.4Å; V377-Q380 PolarHBondContact O-N 2.9Å; Q380-V382 VanDerWaalsContact C-N 3.3Å; Q380-V382 PolarHBondContact O-N 3.17Å; Q380-K383 WeakPolarHBondContact O-CA 2.99Å; Q380-K383 WeakPolarHBondContact O-CB 3.27Å; Q380-K383 PolarHBondContact O-N 3.44Å; Q380-D384 WeakPolarHBondContact CG-OD2 3.45Å; Q380-D384 PolarHBondContact NE2-OD1 3.49Å; Q380-D384 PolarHBondContact NE2-OD2 2.93Å; Q380-D384 PolarHBondContact O-N 2.94Å
381	N	65.2	Low	68.5	Low	92 Å²	92	82.2 Å²	82.2	49%	0.492	45%	0.447	S	S	.	.	H	α-helix	trans	-56.6	-40.3	177.9	-66.9	2.2	0	0	0	112.8	V377 A378 D384 M385	V377-N381 PolarHBondContact O-N 3.49Å; V377-N381 PolarHBondContact O-OD1 3.09Å; A378-N381 PolarHBondContact O-N 3.06Å; N381-D384 PolarHBondContact O-N 3.07Å; N381-M385 WeakPolarHBondContact O-CE 3.35Å; N381-M385 WeakPolarHBondContact O-CG 3.31Å; N381-M385 PolarHBondContact O-N 2.94Å
382	V	67.7	Low	67.7	Low	88 Å²	88	86.9 Å²	86.9	53%	0.533	48%	0.477	S	S	.	.	H	α-helix	trans	-63.5	-42	175.7	168	0	0	0	0	111.5	A378 Q380 M385 E386	A378-V382 WeakPolarHBondContact O-CG2 3.27Å; A378-V382 PolarHBondContact O-N 3.16Å; A378-V382 VanDerWaalsContact O-N 3.07Å; Q380-V382 VanDerWaalsContact C-N 3.3Å; Q380-V382 PolarHBondContact O-N 3.17Å; V382-M385 HydrophobicContact CG2-CE 4.31Å; V382-M385 PolarHBondContact O-N 3.2Å; V382-E386 PolarHBondContact O-N 2.94Å
383	K	68	Low	66.7	Low	60 Å²	60	87 Å²	87	26%	0.261	49%	0.488	S	S	.	.	H	α-helix	trans	-68.2	-36.6	178.3	-168.4	-178	-173.8	-177.7	0	112.3	A379 Q380 E386 N387 S401	A379-K383 PolarHBondContact O-N 3.06Å; Q380-K383 WeakPolarHBondContact O-CA 2.99Å; Q380-K383 WeakPolarHBondContact O-CB 3.27Å; Q380-K383 PolarHBondContact O-N 3.44Å; K383-E386 WeakPolarHBondContact O-CB 3.31Å; K383-E386 PolarHBondContact O-N 2.97Å; K383-N387 PolarHBondContact O-N 3.12Å; K383-N387 PolarHBondContact O-ND2 2.86Å; K383-N387 VanDerWaalsContact O-ND2 3.15Å; K383-S401 PolarHBondContact NZ-O 3.34Å
384	D	64.8	Low	65.7	Low	63 Å²	63	86.5 Å²	86.5	34%	0.337	48%	0.484	S	S	.	.	H	α-helix	trans	-69.8	-37.7	176.9	-64.2	-32.5	0	0	0	111.3	Q380 N381 N387 M388	Q380-D384 WeakPolarHBondContact CG-OD2 3.45Å; Q380-D384 PolarHBondContact NE2-OD1 3.49Å; Q380-D384 PolarHBondContact NE2-OD2 2.93Å; Q380-D384 PolarHBondContact O-N 2.94Å; N381-D384 PolarHBondContact O-N 3.07Å; D384-N387 PolarHBondContact O-N 2.91Å; D384-M388 VanDerWaalsContact O-CG 3.31Å; D384-M388 WeakPolarHBondContact O-CG 3.29Å; D384-M388 PolarHBondContact O-N 3.15Å
385	M	64.6	Low	64.6	Low	106 Å²	106	86.2 Å²	86.2	52%	0.522	50%	0.496	S	S	.	.	H	α-helix	trans	-63.7	-40.5	167.9	-71	-175.1	-68.7	0	0	112.6	N381 V382 N387 M388 I389	N381-M385 WeakPolarHBondContact O-CE 3.35Å; N381-M385 WeakPolarHBondContact O-CG 3.31Å; N381-M385 PolarHBondContact O-N 2.94Å; V382-M385 HydrophobicContact CG2-CE 4.31Å; V382-M385 PolarHBondContact O-N 3.2Å; M385-N387 PolarHBondContact O-N 3.37Å; M385-M388 PolarHBondContact O-N 3.32Å; M385-I389 WeakPolarHBondContact O-CB 3.37Å; M385-I389 WeakPolarHBondContact O-CD1 3.32Å; M385-I389 VanDerWaalsContact O-CG1 3.26Å; M385-I389 WeakPolarHBondContact O-CG1 3.4Å; M385-I389 PolarHBondContact O-N 3.02Å
386	E	64.5	Low	63.4	Low	115 Å²	115	91.8 Å²	91.8	54%	0.537	52%	0.524	S	S	.	.	H	α-helix	trans	-59.9	-44.1	174.3	-172.1	-176.4	-168.5	0	0	111.2	V382 K383 I389 T390	V382-E386 PolarHBondContact O-N 2.94Å; K383-E386 WeakPolarHBondContact O-CB 3.31Å; K383-E386 PolarHBondContact O-N 2.97Å; E386-I389 PolarHBondContact O-N 3.09Å; E386-T390 WeakPolarHBondContact O-CB 3.38Å; E386-T390 WeakPolarHBondContact O-CG2 3.47Å; E386-T390 PolarHBondContact O-N 3.35Å; E386-T390 PolarHBondContact O-OG1 3.28Å
387	N	67.4	Low	62.3	Low	80 Å²	80	93 Å²	93	43%	0.428	53%	0.531	S	S	.	.	H	α-helix	trans	-60.8	-48	175.1	-65	-33	0	0	0	111.6	K383 D384 M385 I389 T390 D391	K383-N387 PolarHBondContact O-N 3.12Å; K383-N387 PolarHBondContact O-ND2 2.86Å; K383-N387 VanDerWaalsContact O-ND2 3.15Å; D384-N387 PolarHBondContact O-N 2.91Å; M385-N387 PolarHBondContact O-N 3.37Å; N387-I389 VanDerWaalsContact C-N 3.31Å; N387-I389 PolarHBondContact O-N 3.1Å; N387-T390 PolarHBondContact O-N 2.83Å; N387-T390 PolarHBondContact O-OG1 3.19Å; N387-D391 PolarHBondContact O-N 3.2Å
388	M	65.8	Low	61.2	Low	133 Å²	133	97.4 Å²	97.4	66%	0.655	55%	0.551	S	S	*	*	H	α-helix	trans	-61.3	-36	179	-72.8	177	73.4	0	0	113.2	D384 M385	D384-M388 VanDerWaalsContact O-CG 3.31Å; D384-M388 WeakPolarHBondContact O-CG 3.29Å; D384-M388 PolarHBondContact O-N 3.15Å; M385-M388 PolarHBondContact O-N 3.32Å
389	I	65.8	Low	59.9	Low	100 Å²	100	97.7 Å²	97.7	51%	0.513	56%	0.559	S	S	.	*	H	α-helix	trans	-76.1	-33.3	179.1	-68.5	165.6	0	0	0	111.6	M385 E386 N387 L536	M385-I389 WeakPolarHBondContact O-CB 3.37Å; M385-I389 WeakPolarHBondContact O-CD1 3.32Å; M385-I389 VanDerWaalsContact O-CG1 3.26Å; M385-I389 WeakPolarHBondContact O-CG1 3.4Å; M385-I389 PolarHBondContact O-N 3.02Å; E386-I389 PolarHBondContact O-N 3.09Å; N387-I389 VanDerWaalsContact C-N 3.31Å; N387-I389 PolarHBondContact O-N 3.1Å; I389-L536 HydrophobicContact CD1-CD2 4.38Å
390	T	65.1	Low	58.7	Low	100 Å²	100	99 Å²	99	61%	0.613	57%	0.565	S	S	*	*	H	α-helix	trans	-94.4	-30	-171.4	53.5	0	0	0	0	114.8	E386 N387	E386-T390 WeakPolarHBondContact O-CB 3.38Å; E386-T390 WeakPolarHBondContact O-CG2 3.47Å; E386-T390 PolarHBondContact O-N 3.35Å; E386-T390 PolarHBondContact O-OG1 3.28Å; N387-T390 PolarHBondContact O-N 2.83Å; N387-T390 PolarHBondContact O-OG1 3.19Å
391	D	61.2	Low	57.5	Low	57 Å²	57	98 Å²	98	31%	0.305	57%	0.568	S	S	.	*			trans	-150	83	174.6	-166.5	-16.5	0	0	0	112.5	N387 S393 K394	N387-D391 PolarHBondContact O-N 3.2Å; D391-S393 PolarHBondContact O-N 3.03Å; D391-S393 WeakPolarHBondContact OD1-CB 3.42Å; D391-S393 PolarHBondContact OD1-N 3.01Å; D391-S393 VanDerWaalsContact OD1-N 3.11Å; D391-S393 PolarHBondContact OD1-OG 2.72Å; D391-K394 PolarHBondContact O-N 3.11Å; D391-K394 IonicContact OD1-NZ 2.6Å; D391-K394 WeakPolarHBondContact OD2-CD 3.43Å; D391-K394 IonicContact OD2-NZ 2.93Å; D391-K394 PolarHBondContact OD2-NZ 3.08Å
392	P	57.2	Low	56.5	Low	109 Å²	109	101.3 Å²	101.3	71%	0.708	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-3.1	179.3	27.2	-35.5	0	0	0	114.1
393	S	53.7	Low	55.5	Low	96 Å²	96	105.9 Å²	105.9	67%	0.671	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-6.5	175.6	77.3	0	0	0	0	114.5	D391	D391-S393 PolarHBondContact O-N 3.03Å; D391-S393 WeakPolarHBondContact OD1-CB 3.42Å; D391-S393 PolarHBondContact OD1-N 3.01Å; D391-S393 VanDerWaalsContact OD1-N 3.11Å; D391-S393 PolarHBondContact OD1-OG 2.72Å
394	K	53.7	Low	54.4	Low	119 Å²	119	111.4 Å²	111.4	52%	0.517	63%	0.625	S	S	.	*			trans	-121	13.7	-172.7	-68.5	-169	-176.1	62.7	0	115.7	D391 D396 T397	D391-K394 PolarHBondContact O-N 3.11Å; D391-K394 IonicContact OD1-NZ 2.6Å; D391-K394 WeakPolarHBondContact OD2-CD 3.43Å; D391-K394 IonicContact OD2-NZ 2.93Å; D391-K394 PolarHBondContact OD2-NZ 3.08Å; K394-D396 PolarHBondContact O-N 3.37Å; K394-T397 PolarHBondContact O-N 3.34Å; K394-T397 PolarHBondContact O-OG1 3.38Å
395	A	49.5	Very low	53.6	Low	82 Å²	82	111.3 Å²	111.3	68%	0.678	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.8	-35.5	-174.9	0	0	0	0	0	114.5	T397	A395-T397 VanDerWaalsContact C-N 3.31Å; A395-T397 PolarHBondContact O-N 2.96Å
396	D	47.3	Very low	53.1	Low	164 Å²	164	116 Å²	116	88%	0.877	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-5.6	-178.3	-63.8	-45.6	0	0	0	115.1	K394	K394-D396 PolarHBondContact O-N 3.37Å
397	T	48.2	Very low	53.4	Low	100 Å²	100	114.5 Å²	114.5	61%	0.613	65%	0.652	S	S	*	*			trans	-95.7	101.6	-178.5	46	0	0	0	0	113.1	K394 A395 G399	K394-T397 PolarHBondContact O-N 3.34Å; K394-T397 PolarHBondContact O-OG1 3.38Å; A395-T397 VanDerWaalsContact C-N 3.31Å; A395-T397 PolarHBondContact O-N 2.96Å; T397-G399 PolarHBondContact O-N 2.62Å
398	N	46.8	Very low	53.5	Low	176 Å²	176	113.7 Å²	113.7	94%	0.941	65%	0.651	S	S	*	*			trans	-61.5	69.2	173.9	-89.6	-48.8	0	0	0	113.7	S400	N398-S400 PolarHBondContact O-N 2.84Å
399	G	43	Very low	54	Low	60 Å²	60	108 Å²	108	62%	0.619	62%	0.623	S	S	*	*			trans	-85	83.6	-179.1	0	0	0	0	0	113	T397 S401	T397-G399 PolarHBondContact O-N 2.62Å; G399-S401 PolarHBondContact O-N 2.69Å
400	S	45.1	Very low	54.8	Low	88 Å²	88	108.9 Å²	108.9	62%	0.615	62%	0.623	S	S	*	*			trans	-69.1	77.1	173.9	-169.7	0	0	0	0	112.5	N398 H402	N398-S400 PolarHBondContact O-N 2.84Å; S400-H402 PolarHBondContact O-N 3.47Å; S400-H402 VanDerWaalsContact O-N 3.11Å; S400-H402 PolarHBondContact OG-CD2 2.85Å; S400-H402 PolarHBondContact OG-NE2 2.95Å
401	S	43.3	Very low	55.7	Low	70 Å²	70	110.7 Å²	110.7	49%	0.49	62%	0.62	S	S	.	*			trans	-79.7	87.5	172.6	-169.9	0	0	0	0	109.8	K383 G399 K403	K383-S401 PolarHBondContact NZ-O 3.34Å; G399-S401 PolarHBondContact O-N 2.69Å; S401-K403 PolarHBondContact O-N 3.06Å
402	H	43.6	Very low	56.9	Low	161 Å²	161	108.3 Å²	108.3	75%	0.745	61%	0.606	S	S	*	*			trans	-72.8	95.6	167.2	-73.8	-77.5	0	0	0	109.7	S400	S400-H402 PolarHBondContact O-N 3.47Å; S400-H402 VanDerWaalsContact O-N 3.11Å; S400-H402 PolarHBondContact OG-CD2 2.85Å; S400-H402 PolarHBondContact OG-NE2 2.95Å
403	K	46.3	Very low	58.3	Low	184 Å²	184	105.6 Å²	105.6	80%	0.8	58%	0.583	S	S	*	*			trans	-71	129.8	166.3	-71.5	178.5	179.7	169.6	0	108.9	S401 G405	S401-K403 PolarHBondContact O-N 3.06Å; K403-G405 PolarHBondContact O-N 2.89Å
404	N	44.7	Very low	60	Low	176 Å²	176	105.4 Å²	105.4	94%	0.941	57%	0.572	S	S	*	*			trans	-72.5	52.8	178.4	-84.7	-21.2	0	0	0	113.3
405	G	48.1	Very low	61.9	Low	62 Å²	62	103.1 Å²	103.1	64%	0.639	56%	0.56	S	S	*	*			trans	-78.1	150	163.2	0	0	0	0	0	110.6	K403 D407	K403-G405 PolarHBondContact O-N 2.89Å; G405-D407 PolarHBondContact O-N 3.19Å
406	K	55	Low	63.9	Low	204 Å²	204	99.2 Å²	99.2	89%	0.887	53%	0.528	S	S	*	.			trans	-63.7	117.9	165.9	-70.9	-177.2	178.6	-179.3	0	108	P408	K406-P408 VanDerWaalsContact O-CD 3.27Å; K406-P408 WeakPolarHBondContact O-CD 3.47Å; K406-P408 VanDerWaalsContact O-N 3.11Å
407	D	69.9	Low	66.1	Low	83 Å²	83	95.2 Å²	95.2	44%	0.444	50%	0.504	S	S	.	.			trans	-58.3	113.6	175.7	171.3	15.4	0	0	0	110	G405 Y409 K410 Y411	G405-D407 PolarHBondContact O-N 3.19Å; D407-Y409 PolarHBondContact O-N 3.21Å; D407-Y409 WeakPolarHBondContact OD1-CA 3.34Å; D407-Y409 WeakPolarHBondContact OD1-CB 3.42Å; D407-Y409 PolarHBondContact OD1-N 3.39Å; D407-K410 HydrophobicContact CB-CB 3.9Å; D407-K410 VanDerWaalsContact CG-N 3.33Å; D407-K410 PolarHBondContact O-N 2.88Å; D407-K410 PolarHBondContact OD1-N 3.41Å; D407-K410 WeakPolarHBondContact OD2-CB 3.45Å; D407-K410 PolarHBondContact OD2-N 2.9Å; D407-K410 VanDerWaalsContact OD2-N 3.08Å; D407-Y411 PolarHBondContact O-N 3.19Å; D407-Y411 VanDerWaalsContact O-N 3.13Å
408	P	70.5	Confident	68.2	Low	63 Å²	63	95.2 Å²	95.2	41%	0.409	50%	0.497	S	S	.	.	H	α-helix	trans	-68.8	-23.9	-178.9	30.1	-35.1	0	0	0	111.7	K406 F412 C525	K406-P408 VanDerWaalsContact O-CD 3.27Å; K406-P408 WeakPolarHBondContact O-CD 3.47Å; K406-P408 VanDerWaalsContact O-N 3.11Å; P408-F412 VanDerWaalsContact O-CB 3.31Å; P408-F412 WeakPolarHBondContact O-CB 3.2Å; P408-F412 PolarHBondContact O-N 3.35Å; P408-C525 HydrophobicContact CB-CB 4.04Å
409	Y	76.6	Confident	70.5	Confident	14 Å²	14	89.3 Å²	89.3	6%	0.055	47%	0.465	C	S	.	.	H	α-helix	trans	-73.1	-48.6	175.4	-177.9	-103.1	0	0	0	111.6	V368 T371 Q372 V375 D407 Y411 F412 K413	V368-Y409 PolarHBondContact O-OH 2.96Å; T371-Y409 WeakPolarHBondContact OG1-CE2 3.43Å; T371-Y409 PolarHBondContact OG1-OH 3.46Å; Q372-Y409 WeakPolarHBondContact CA-OH 3.31Å; Q372-Y409 HydrophobicContact CB-CE1 3.98Å; Q372-Y409 HydrophobicContact CG-CE1 4.26Å; Q372-Y409 PolarHBondContact N-OH 2.9Å; V375-Y409 HydrophobicContact CB-CD2 4.05Å; V375-Y409 HydrophobicContact CB-CG 4.17Å; V375-Y409 HydrophobicContact CG1-CD2 4.1Å; V375-Y409 HydrophobicContact CG1-CG 4.02Å; V375-Y409 HydrophobicContact CG2-CD2 3.94Å; V375-Y409 HydrophobicContact CG2-CE2 4.29Å; D407-Y409 PolarHBondContact O-N 3.21Å; D407-Y409 WeakPolarHBondContact OD1-CA 3.34Å; D407-Y409 WeakPolarHBondContact OD1-CB 3.42Å; D407-Y409 PolarHBondContact OD1-N 3.39Å; Y409-Y411 VanDerWaalsContact C-N 3.3Å; Y409-Y411 PolarHBondContact O-N 2.7Å; Y409-F412 HydrophobicContact CD2-CD1 4.19Å; Y409-F412 AromaticContact CE2-CD1 3.83Å; Y409-F412 HydrophobicContact CE2-CD1 3.83Å; Y409-F412 HydrophobicContact CE2-CE1 4.29Å; Y409-F412 WeakPolarHBondContact O-CB 3.34Å; Y409-F412 PolarHBondContact O-N 3.23Å; Y409-F412 VanDerWaalsContact O-N 3.17Å; Y409-K413 HydrophobicContact CE1-CB 4.32Å; Y409-K413 WeakPolarHBondContact O-CB 3.49Å; Y409-K413 PolarHBondContact O-N 3.23Å
410	K	81.7	Confident	72.9	Confident	118 Å²	118	86.4 Å²	86.4	51%	0.513	44%	0.436	S	S	.	.	H	α-helix	trans	-53.5	-47.1	172.3	176.3	172.8	176.1	176.4	0	111.8	D407 K413 E414	D407-K410 HydrophobicContact CB-CB 3.9Å; D407-K410 VanDerWaalsContact CG-N 3.33Å; D407-K410 PolarHBondContact O-N 2.88Å; D407-K410 PolarHBondContact OD1-N 3.41Å; D407-K410 WeakPolarHBondContact OD2-CB 3.45Å; D407-K410 PolarHBondContact OD2-N 2.9Å; D407-K410 VanDerWaalsContact OD2-N 3.08Å; K410-K413 PolarHBondContact O-N 3.12Å; K410-E414 WeakPolarHBondContact CE-OE1 3.4Å; K410-E414 HydrophobicContact CG-CG 4.36Å; K410-E414 IonicContact NZ-OE1 3.93Å; K410-E414 WeakPolarHBondContact O-CB 3.43Å; K410-E414 WeakPolarHBondContact O-CG 3.48Å; K410-E414 PolarHBondContact O-N 3.08Å
411	Y	83.9	Confident	75.1	Confident	139 Å²	139	83.1 Å²	83.1	55%	0.545	41%	0.411	S	S	.	.	H	α-helix	trans	-61.9	-43.9	176.8	177.2	-105.6	0	0	0	112.5	D407 Y409 K413 R415	D407-Y411 PolarHBondContact O-N 3.19Å; D407-Y411 VanDerWaalsContact O-N 3.13Å; Y409-Y411 VanDerWaalsContact C-N 3.3Å; Y409-Y411 PolarHBondContact O-N 2.7Å; Y411-K413 PolarHBondContact O-N 2.77Å; Y411-R415 HydrophobicContact CD2-CG 4.09Å; Y411-R415 HydrophobicContact CE1-CG 4.24Å; Y411-R415 HydrophobicContact CE2-CG 3.69Å; Y411-R415 WeakPolarHBondContact O-CB 3.44Å; Y411-R415 VanDerWaalsContact O-CG 3.24Å; Y411-R415 WeakPolarHBondContact O-CG 3.47Å; Y411-R415 PolarHBondContact O-N 2.85Å; Y411-R415 VanDerWaalsContact O-N 3.09Å
412	F	86.5	Confident	77.5	Confident	6 Å²	6	85.1 Å²	85.1	3%	0.026	42%	0.415	C	S	.	.	H	α-helix	trans	-59.1	-45.6	174.2	167.5	-95.9	0	0	0	112	Y367 P408 Y409 R415 M416 L518 L519 L522	Y367-F412 HydrophobicContact CD1-CZ 4.46Å; Y367-F412 HydrophobicContact CE1-CE1 4.08Å; Y367-F412 AromaticContact CE1-CZ 3.83Å; Y367-F412 HydrophobicContact CE1-CZ 3.83Å; P408-F412 VanDerWaalsContact O-CB 3.31Å; P408-F412 WeakPolarHBondContact O-CB 3.2Å; P408-F412 PolarHBondContact O-N 3.35Å; Y409-F412 HydrophobicContact CD2-CD1 4.19Å; Y409-F412 AromaticContact CE2-CD1 3.83Å; Y409-F412 HydrophobicContact CE2-CD1 3.83Å; Y409-F412 HydrophobicContact CE2-CE1 4.29Å; Y409-F412 WeakPolarHBondContact O-CB 3.34Å; Y409-F412 PolarHBondContact O-N 3.23Å; Y409-F412 VanDerWaalsContact O-N 3.17Å; F412-R415 PolarHBondContact O-N 2.96Å; F412-M416 HydrophobicContact CE1-CE 4.1Å; F412-M416 HydrophobicContact CE2-CE 4.1Å; F412-M416 HydrophobicContact CZ-CE 3.41Å; F412-M416 VanDerWaalsContact CZ-CE 3.41Å; F412-M416 WeakPolarHBondContact O-CB 3.28Å; F412-M416 PolarHBondContact O-N 3.06Å; F412-L518 HydrophobicContact CD2-CB 3.98Å; F412-L518 WeakPolarHBondContact CD2-O 3.27Å; F412-L518 HydrophobicContact CE2-CB 3.81Å; F412-L519 HydrophobicContact CE2-CD2 4.12Å; F412-L519 HydrophobicContact CE2-CG 4.49Å; F412-L519 HydrophobicContact CZ-CD2 3.91Å; F412-L522 HydrophobicContact CB-CD1 4.14Å; F412-L522 HydrophobicContact CD1-CD2 3.91Å; F412-L522 HydrophobicContact CD2-CB 3.81Å; F412-L522 HydrophobicContact CD2-CD2 4.05Å; F412-L522 HydrophobicContact CD2-CG 4.4Å; F412-L522 HydrophobicContact CE1-CD2 3.95Å; F412-L522 HydrophobicContact CE2-CB 4.19Å; F412-L522 HydrophobicContact CE2-CD2 4.08Å; F412-L522 HydrophobicContact CG-CB 4.25Å; F412-L522 HydrophobicContact CG-CD1 4.27Å; F412-L522 HydrophobicContact CG-CD2 3.95Å; F412-L522 HydrophobicContact CG-CG 4.39Å; F412-L522 HydrophobicContact CZ-CD2 4.03Å
413	K	87.3	Confident	79.9	Confident	52 Å²	52	79.3 Å²	79.3	23%	0.226	39%	0.392	C	S	.	.	H	α-helix	trans	-60.7	-54.3	178.2	174.2	175.8	176.5	-177.6	0	111.4	V368 Y409 K410 Y411 R415 M416 E417	V368-K413 HydrophobicContact CG1-CD 4.13Å; V368-K413 HydrophobicContact CG1-CG 3.86Å; Y409-K413 HydrophobicContact CE1-CB 4.32Å; Y409-K413 WeakPolarHBondContact O-CB 3.49Å; Y409-K413 PolarHBondContact O-N 3.23Å; K410-K413 PolarHBondContact O-N 3.12Å; Y411-K413 PolarHBondContact O-N 2.77Å; K413-R415 VanDerWaalsContact C-N 3.26Å; K413-R415 PolarHBondContact O-N 2.84Å; K413-M416 PolarHBondContact O-N 3.27Å; K413-M416 VanDerWaalsContact O-N 3.08Å; K413-E417 WeakPolarHBondContact CE-OE1 3.22Å; K413-E417 HydrophobicContact CG-CG 4.45Å; K413-E417 IonicContact NZ-OE1 2.66Å; K413-E417 WeakPolarHBondContact O-CG 3.23Å; K413-E417 PolarHBondContact O-N 3.18Å
414	E	89.8	Confident	82	Confident	92 Å²	92	70.6 Å²	70.6	43%	0.43	35%	0.354	S	S	.	.	H	α-helix	trans	-55.5	-43.4	-179.2	-73	170.9	166	0	0	110.9	K410 E417 E418	K410-E414 WeakPolarHBondContact CE-OE1 3.4Å; K410-E414 HydrophobicContact CG-CG 4.36Å; K410-E414 IonicContact NZ-OE1 3.93Å; K410-E414 WeakPolarHBondContact O-CB 3.43Å; K410-E414 WeakPolarHBondContact O-CG 3.48Å; K410-E414 PolarHBondContact O-N 3.08Å; E414-E417 PolarHBondContact O-N 3.04Å; E414-E418 VanDerWaalsContact O-CB 3.31Å; E414-E418 WeakPolarHBondContact O-CB 3.44Å; E414-E418 PolarHBondContact O-N 2.99Å
415	R	92.4	Very high	84.2	Confident	72 Å²	72	65.8 Å²	65.8	27%	0.272	33%	0.331	S	S	.	.	H	α-helix	trans	-73.8	-29	178.3	-61.9	-66.4	-73.5	163.7	-3.7	113.6	Y411 F412 K413 E418 L419 L518	Y411-R415 HydrophobicContact CD2-CG 4.09Å; Y411-R415 HydrophobicContact CE1-CG 4.24Å; Y411-R415 HydrophobicContact CE2-CG 3.69Å; Y411-R415 WeakPolarHBondContact O-CB 3.44Å; Y411-R415 VanDerWaalsContact O-CG 3.24Å; Y411-R415 WeakPolarHBondContact O-CG 3.47Å; Y411-R415 PolarHBondContact O-N 2.85Å; Y411-R415 VanDerWaalsContact O-N 3.09Å; F412-R415 PolarHBondContact O-N 2.96Å; K413-R415 VanDerWaalsContact C-N 3.26Å; K413-R415 PolarHBondContact O-N 2.84Å; R415-E418 IonicContact CZ-OE1 3.69Å; R415-E418 IonicContact CZ-OE2 3.81Å; R415-E418 IonicContact NE-OE2 2.78Å; R415-E418 IonicContact NH1-OE1 2.67Å; R415-E418 PolarHBondContact NH1-OE1 3.22Å; R415-E418 IonicContact NH1-OE2 3.99Å; R415-E418 PolarHBondContact NH1-OE2 3.1Å; R415-L419 WeakPolarHBondContact O-CB 3.42Å; R415-L419 VanDerWaalsContact O-CG 3.31Å; R415-L419 WeakPolarHBondContact O-CG 3.3Å; R415-L419 PolarHBondContact O-N 2.89Å; R415-L518 HydrophobicContact CB-CD1 4.34Å; R415-L518 HydrophobicContact CB-CD2 3.66Å
416	M	91.8	Very high	86.3	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-70.5	-39.7	171.7	-169.2	86.5	105	0	0	111.3	V364 Y367 V368 F412 K413 V420 L421 L515 L518	V364-M416 HydrophobicContact CG1-CE 4.09Å; V364-M416 HydrophobicContact CG1-CG 3.61Å; V364-M416 HydrophobicContact CG1-SD 3.83Å; Y367-M416 HydrophobicContact CD1-CE 3.99Å; Y367-M416 HydrophobicContact CE1-CE 4.36Å; V368-M416 HydrophobicContact CG2-CB 4.12Å; V368-M416 HydrophobicContact CG2-CE 4.25Å; V368-M416 HydrophobicContact CG2-CG 3.63Å; F412-M416 HydrophobicContact CE1-CE 4.1Å; F412-M416 HydrophobicContact CE2-CE 4.1Å; F412-M416 HydrophobicContact CZ-CE 3.41Å; F412-M416 VanDerWaalsContact CZ-CE 3.41Å; F412-M416 WeakPolarHBondContact O-CB 3.28Å; F412-M416 PolarHBondContact O-N 3.06Å; K413-M416 PolarHBondContact O-N 3.27Å; K413-M416 VanDerWaalsContact O-N 3.08Å; M416-V420 HydrophobicContact CG-CB 4.42Å; M416-V420 WeakPolarHBondContact O-CB 3.34Å; M416-V420 PolarHBondContact O-N 3.34Å; M416-V420 VanDerWaalsContact O-N 3.11Å; M416-V420 HydrophobicContact SD-CB 4.21Å; M416-V420 HydrophobicContact SD-CG2 3.97Å; M416-L421 PolarHBondContact O-N 2.78Å; M416-L515 HydrophobicContact CE-CD1 3.39Å; M416-L515 HydrophobicContact SD-CD1 3.61Å; M416-L518 HydrophobicContact CB-CD1 4.25Å; M416-L518 HydrophobicContact SD-CD1 4.11Å
417	E	92.8	Very high	88	Confident	79 Å²	79	56.7 Å²	56.7	37%	0.369	28%	0.283	S	S	.	.	I	π-helix	trans	-63.4	-47.1	175.2	-73.6	176.3	160.4	0	0	110.8	K413 E414 L421 L422	K413-E417 WeakPolarHBondContact CE-OE1 3.22Å; K413-E417 HydrophobicContact CG-CG 4.45Å; K413-E417 IonicContact NZ-OE1 2.66Å; K413-E417 WeakPolarHBondContact O-CG 3.23Å; K413-E417 PolarHBondContact O-N 3.18Å; E414-E417 PolarHBondContact O-N 3.04Å; E417-L421 HydrophobicContact CG-CD1 4.03Å; E417-L422 WeakPolarHBondContact O-CB 3.49Å; E417-L422 PolarHBondContact O-N 2.95Å
418	E	94.1	Very high	88.8	Confident	101 Å²	101	56.5 Å²	56.5	47%	0.472	28%	0.28	S	S	.	.	I	π-helix	trans	-69.5	-49.3	180	-170.9	-163.6	151.7	0	0	114.1	E414 R415 P423	E414-E418 VanDerWaalsContact O-CB 3.31Å; E414-E418 WeakPolarHBondContact O-CB 3.44Å; E414-E418 PolarHBondContact O-N 2.99Å; R415-E418 IonicContact CZ-OE1 3.69Å; R415-E418 IonicContact CZ-OE2 3.81Å; R415-E418 IonicContact NE-OE2 2.78Å; R415-E418 IonicContact NH1-OE1 2.67Å; R415-E418 PolarHBondContact NH1-OE1 3.22Å; R415-E418 IonicContact NH1-OE2 3.99Å; R415-E418 PolarHBondContact NH1-OE2 3.1Å; E418-P423 WeakPolarHBondContact O-CD 3.27Å
419	L	93.6	Very high	89.4	Confident	51 Å²	51	55.5 Å²	55.5	27%	0.267	28%	0.281	S	S	.	.	I	π-helix	trans	-92.3	-17.3	-170	-59.1	-180	0	0	0	114.6	R415 C514 L518	R415-L419 WeakPolarHBondContact O-CB 3.42Å; R415-L419 VanDerWaalsContact O-CG 3.31Å; R415-L419 WeakPolarHBondContact O-CG 3.3Å; R415-L419 PolarHBondContact O-N 2.89Å; L419-C514 HydrophobicContact CB-CB 4.2Å; L419-L518 HydrophobicContact CD1-CD1 4.43Å
420	V	93.3	Very high	89.8	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.303	C	S	.	.	I	π-helix	trans	-126.1	-54.9	-171.9	-171.4	0	0	0	0	111.4	V364 M416 L424 C511 C514 L515 L518	V364-V420 HydrophobicContact CB-CG1 4.47Å; V364-V420 HydrophobicContact CG1-CB 4.45Å; V364-V420 HydrophobicContact CG1-CG1 3.98Å; V364-V420 HydrophobicContact CG2-CG1 3.96Å; M416-V420 HydrophobicContact CG-CB 4.42Å; M416-V420 WeakPolarHBondContact O-CB 3.34Å; M416-V420 PolarHBondContact O-N 3.34Å; M416-V420 VanDerWaalsContact O-N 3.11Å; M416-V420 HydrophobicContact SD-CB 4.21Å; M416-V420 HydrophobicContact SD-CG2 3.97Å; V420-L424 HydrophobicContact CG1-CD1 3.81Å; V420-L424 VanDerWaalsContact O-CB 3.31Å; V420-L424 WeakPolarHBondContact O-CB 3.49Å; V420-L424 WeakPolarHBondContact O-CD1 3.44Å; V420-L424 WeakPolarHBondContact O-CG 3.4Å; V420-L424 PolarHBondContact O-N 2.75Å; V420-L424 VanDerWaalsContact O-N 3.16Å; V420-C511 HydrophobicContact CG1-CB 4.29Å; V420-C514 HydrophobicContact CG2-CB 3.91Å; V420-L515 HydrophobicContact CG2-CB 4.43Å; V420-L518 HydrophobicContact CG2-CD1 4.24Å
421	L	92.4	Very high	89.9	Confident	18 Å²	18	54.4 Å²	54.4	9%	0.094	28%	0.279	C	S	.	.	I	π-helix	trans	-71.8	-45.3	-176.9	-71	167.8	0	0	0	112.9	V364 N365 V368 M416 E417 L424 T425	V364-L421 HydrophobicContact CB-CD2 3.93Å; V364-L421 HydrophobicContact CB-CG 4.48Å; V364-L421 HydrophobicContact CG1-CD1 4.23Å; V364-L421 HydrophobicContact CG1-CD2 3.73Å; V364-L421 HydrophobicContact CG1-CG 3.74Å; N365-L421 HydrophobicContact CB-CD2 3.97Å; V368-L421 HydrophobicContact CG2-CD1 4.42Å; M416-L421 PolarHBondContact O-N 2.78Å; E417-L421 HydrophobicContact CG-CD1 4.03Å; L421-L424 PolarHBondContact O-N 3.35Å; L421-T425 WeakPolarHBondContact O-CB 3.47Å; L421-T425 WeakPolarHBondContact O-CG2 3.47Å; L421-T425 PolarHBondContact O-N 2.77Å; L421-T425 PolarHBondContact O-OG1 3.31Å
422	L	93.2	Very high	89.8	Confident	112 Å²	112	50.2 Å²	50.2	59%	0.586	27%	0.268	S	S	*	.	H	α-helix	trans	-62.6	-46.1	179.8	177.9	66.3	0	0	0	112.4	E417 T425 S426	E417-L422 WeakPolarHBondContact O-CB 3.49Å; E417-L422 PolarHBondContact O-N 2.95Å; L422-T425 PolarHBondContact O-OG1 2.87Å; L422-S426 WeakPolarHBondContact O-CB 3.5Å; L422-S426 PolarHBondContact O-N 3.43Å
423	P	94.7	Very high	89.2	Confident	40 Å²	40	51.5 Å²	51.5	26%	0.26	28%	0.28	S	S	.	.	H	α-helix	trans	-64	-42.4	174.1	-25.8	37	0	0	0	113.6	E418 L427 I507	E418-P423 WeakPolarHBondContact O-CD 3.27Å; P423-L427 WeakPolarHBondContact O-CB 3.43Å; P423-L427 PolarHBondContact O-N 3.42Å; P423-I507 HydrophobicContact CB-CG2 4.31Å
424	L	90.9	Very high	88.8	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-68.1	-39.7	-179.9	-70.1	171.8	0	0	0	112.7	V357 L360 A361 V420 L421 Q428 L508 C511	V357-L424 HydrophobicContact CG1-CB 4.46Å; V357-L424 HydrophobicContact CG1-CD2 4.08Å; V357-L424 WeakPolarHBondContact CG1-O 3.23Å; L360-L424 HydrophobicContact CB-CD1 4.16Å; L360-L424 HydrophobicContact CD2-CD1 3.73Å; L360-L424 HydrophobicContact CD2-CD2 4.12Å; L360-L424 HydrophobicContact CG-CD1 3.69Å; A361-L424 HydrophobicContact CB-CB 4.05Å; V420-L424 HydrophobicContact CG1-CD1 3.81Å; V420-L424 VanDerWaalsContact O-CB 3.31Å; V420-L424 WeakPolarHBondContact O-CB 3.49Å; V420-L424 WeakPolarHBondContact O-CD1 3.44Å; V420-L424 WeakPolarHBondContact O-CG 3.4Å; V420-L424 PolarHBondContact O-N 2.75Å; V420-L424 VanDerWaalsContact O-N 3.16Å; L421-L424 PolarHBondContact O-N 3.35Å; L424-Q428 VanDerWaalsContact O-CB 3.26Å; L424-Q428 WeakPolarHBondContact O-CB 3.33Å; L424-Q428 PolarHBondContact O-N 3.36Å; L424-L508 HydrophobicContact CD2-CD1 4.03Å; L424-C511 HydrophobicContact CD1-CB 4.23Å; L424-C511 HydrophobicContact CD2-CB 3.93Å; L424-C511 HydrophobicContact CG-CB 3.99Å
425	T	90.6	Very high	88.3	Confident	75 Å²	75	49.1 Å²	49.1	46%	0.46	27%	0.271	S	S	.	.	H	α-helix	trans	-72	-38.5	178	52.2	0	0	0	0	112.1	L421 L422 Q428 G429	L421-T425 WeakPolarHBondContact O-CB 3.47Å; L421-T425 WeakPolarHBondContact O-CG2 3.47Å; L421-T425 PolarHBondContact O-N 2.77Å; L421-T425 PolarHBondContact O-OG1 3.31Å; L422-T425 PolarHBondContact O-OG1 2.87Å; T425-Q428 PolarHBondContact O-N 2.96Å; T425-G429 PolarHBondContact O-N 3.46Å; T425-G429 VanDerWaalsContact O-N 3.12Å
426	S	92	Very high	87.5	Confident	71 Å²	71	48.5 Å²	48.5	50%	0.497	27%	0.27	S	S	.	.	H	α-helix	trans	-59.4	-51.5	170.5	-175.3	0	0	0	0	111.1	L422 Q428 G429 M430	L422-S426 WeakPolarHBondContact O-CB 3.5Å; L422-S426 PolarHBondContact O-N 3.43Å; S426-Q428 VanDerWaalsContact C-N 3.35Å; S426-Q428 PolarHBondContact O-N 2.9Å; S426-G429 PolarHBondContact O-N 3.12Å; S426-G429 VanDerWaalsContact O-N 3.08Å; S426-M430 PolarHBondContact O-N 3.29Å
427	L	90.8	Very high	86.7	Confident	5 Å²	5	48.9 Å²	48.9	3%	0.026	27%	0.272	C	S	.	.	H	α-helix	trans	-60.9	-40.8	177.1	179.3	61.5	0	0	0	112.2	V357 P423 G429 M430 F431 F500 A504 I507	V357-L427 HydrophobicContact CG1-CB 4.43Å; V357-L427 HydrophobicContact CG1-CD2 4.23Å; V357-L427 HydrophobicContact CG1-CG 4.28Å; V357-L427 HydrophobicContact CG2-CD2 3.65Å; V357-L427 HydrophobicContact CG2-CG 4.32Å; P423-L427 WeakPolarHBondContact O-CB 3.43Å; P423-L427 PolarHBondContact O-N 3.42Å; L427-G429 PolarHBondContact O-N 3.37Å; L427-M430 WeakPolarHBondContact O-CB 3.21Å; L427-M430 PolarHBondContact O-N 3.41Å; L427-F431 HydrophobicContact CD1-CE2 4.3Å; L427-F431 HydrophobicContact CG-CE2 3.97Å; L427-F431 WeakPolarHBondContact O-CD2 3.4Å; L427-F500 HydrophobicContact CD1-CZ 4.43Å; L427-A504 HydrophobicContact CD1-CB 3.94Å; L427-A504 HydrophobicContact CD2-CB 4.23Å; L427-I507 HydrophobicContact CB-CG2 4.49Å; L427-I507 HydrophobicContact CD1-CD1 4.26Å; L427-I507 HydrophobicContact CD2-CB 3.97Å; L427-I507 HydrophobicContact CD2-CG2 3.76Å
428	Q	86.8	Confident	85.8	Confident	79 Å²	79	45.2 Å²	45.2	37%	0.369	26%	0.255	S	S	.	.	H	α-helix	trans	-57.1	-39	174.6	-175.4	179.9	-41.9	0	0	111.7	V357 L424 T425 S426 M430	V357-Q428 HydrophobicContact CG1-CB 4.14Å; L424-Q428 VanDerWaalsContact O-CB 3.26Å; L424-Q428 WeakPolarHBondContact O-CB 3.33Å; L424-Q428 PolarHBondContact O-N 3.36Å; T425-Q428 PolarHBondContact O-N 2.96Å; S426-Q428 VanDerWaalsContact C-N 3.35Å; S426-Q428 PolarHBondContact O-N 2.9Å; Q428-M430 VanDerWaalsContact C-N 3.32Å; Q428-M430 PolarHBondContact O-N 3.43Å
429	G	82.4	Confident	85	Confident	42 Å²	42	45.9 Å²	45.9	43%	0.433	26%	0.258	S	S	.	.	H	α-helix	trans	-64.9	-32.5	173.3	0	0	0	0	0	113.5	T425 S426 L427 F431 T432	T425-G429 PolarHBondContact O-N 3.46Å; T425-G429 VanDerWaalsContact O-N 3.12Å; S426-G429 PolarHBondContact O-N 3.12Å; S426-G429 VanDerWaalsContact O-N 3.08Å; L427-G429 PolarHBondContact O-N 3.37Å; G429-F431 VanDerWaalsContact C-N 3.31Å; G429-F431 PolarHBondContact O-N 2.95Å; G429-T432 PolarHBondContact O-N 3.35Å; G429-T432 PolarHBondContact O-OG1 3.38Å
430	M	85.9	Confident	84	Confident	105 Å²	105	44.5 Å²	44.5	52%	0.517	25%	0.251	S	S	.	.	H	α-helix	trans	-72.1	-18.2	-178.1	-63.4	177.7	65.2	0	0	114.3	S426 L427 Q428 T432 P434 F500	S426-M430 PolarHBondContact O-N 3.29Å; L427-M430 WeakPolarHBondContact O-CB 3.21Å; L427-M430 PolarHBondContact O-N 3.41Å; Q428-M430 VanDerWaalsContact C-N 3.32Å; Q428-M430 PolarHBondContact O-N 3.43Å; M430-T432 VanDerWaalsContact C-N 3.28Å; M430-T432 PolarHBondContact O-N 3.2Å; M430-P434 WeakPolarHBondContact O-CD 3.42Å; M430-F500 HydrophobicContact CB-CE2 3.97Å; M430-F500 HydrophobicContact CB-CZ 4.32Å
431	F	82.4	Confident	83.4	Confident	4 Å²	4	44.6 Å²	44.6	2%	0.018	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-21.3	176.8	-76.3	-92	0	0	0	113.7	F350 L353 E354 V357 L427 G429 A433 P434 Q435 F500 A504	F350-F431 AromaticContact CD2-CD1 4Å; F350-F431 HydrophobicContact CD2-CD1 4Å; F350-F431 HydrophobicContact CD2-CE1 4.13Å; F350-F431 HydrophobicContact CE1-CD1 4.18Å; F350-F431 AromaticContact CE2-CD1 3.44Å; F350-F431 HydrophobicContact CE2-CD1 3.44Å; F350-F431 VanDerWaalsContact CE2-CD1 3.44Å; F350-F431 HydrophobicContact CE2-CE1 4.02Å; F350-F431 HydrophobicContact CE2-CG 4.38Å; F350-F431 HydrophobicContact CZ-CB 4.22Å; F350-F431 AromaticContact CZ-CD1 3.56Å; F350-F431 HydrophobicContact CZ-CD1 3.56Å; F350-F431 HydrophobicContact CZ-CE1 4.45Å; F350-F431 HydrophobicContact CZ-CG 4.35Å; L353-F431 HydrophobicContact CB-CE1 4.08Å; L353-F431 HydrophobicContact CB-CZ 3.95Å; E354-F431 VanDerWaalsContact CA-CE1 3.44Å; E354-F431 HydrophobicContact CB-CD1 3.54Å; E354-F431 HydrophobicContact CB-CE1 3.61Å; E354-F431 HydrophobicContact CB-CG 4.12Å; E354-F431 HydrophobicContact CB-CZ 4.21Å; E354-F431 HydrophobicContact CG-CB 4.11Å; E354-F431 HydrophobicContact CG-CD1 3.77Å; E354-F431 HydrophobicContact CG-CD2 4.38Å; E354-F431 HydrophobicContact CG-CE1 4.28Å; E354-F431 HydrophobicContact CG-CG 3.85Å; E354-F431 VanDerWaalsContact N-CE1 3.31Å; V357-F431 HydrophobicContact CB-CE2 4.18Å; V357-F431 HydrophobicContact CG1-CE2 4.35Å; V357-F431 HydrophobicContact CG2-CE2 4.08Å; V357-F431 HydrophobicContact CG2-CZ 4.27Å; L427-F431 HydrophobicContact CD1-CE2 4.3Å; L427-F431 HydrophobicContact CG-CE2 3.97Å; L427-F431 WeakPolarHBondContact O-CD2 3.4Å; G429-F431 VanDerWaalsContact C-N 3.31Å; G429-F431 PolarHBondContact O-N 2.95Å; F431-A433 PolarHBondContact O-N 3.43Å; F431-P434 WeakPolarHBondContact O-CD 3.38Å; F431-Q435 WeakPolarHBondContact O-CB 3.24Å; F431-Q435 PolarHBondContact O-N 3.41Å; F431-Q435 VanDerWaalsContact O-N 3.09Å; F431-F500 AromaticContact CD1-CE1 3.74Å; F431-F500 HydrophobicContact CD1-CE1 3.74Å; F431-F500 HydrophobicContact CD1-CZ 4.06Å; F431-F500 HydrophobicContact CD2-CZ 4.29Å; F431-F500 AromaticContact CE1-CE1 3.61Å; F431-F500 HydrophobicContact CE1-CE1 3.61Å; F431-F500 HydrophobicContact CE1-CZ 4.21Å; F431-F500 HydrophobicContact CE2-CZ 4.45Å; F431-F500 HydrophobicContact CG-CE1 4.24Å; F431-F500 HydrophobicContact CG-CZ 4.08Å; F431-F500 HydrophobicContact CZ-CE1 4.02Å; F431-F500 HydrophobicContact CZ-CZ 4.39Å; F431-A504 HydrophobicContact CZ-CB 4.3Å
432	T	81.8	Confident	82.5	Confident	51 Å²	51	47.2 Å²	47.2	31%	0.313	26%	0.26	S	S	.	.	H	α-helix	trans	-64.2	-41.4	-172.3	62.3	0	0	0	0	113.1	E299 G429 M430 K436	E299-T432 VanDerWaalsContact OE1-CB 3.3Å; E299-T432 WeakPolarHBondContact OE1-CB 3.35Å; E299-T432 PolarHBondContact OE1-OG1 3.49Å; E299-T432 PolarHBondContact OE2-OG1 2.68Å; E299-T432 VanDerWaalsContact OE2-OG1 3.07Å; G429-T432 PolarHBondContact O-N 3.35Å; G429-T432 PolarHBondContact O-OG1 3.38Å; M430-T432 VanDerWaalsContact C-N 3.28Å; M430-T432 PolarHBondContact O-N 3.2Å; T432-K436 WeakPolarHBondContact O-CB 3.49Å; T432-K436 WeakPolarHBondContact O-CG 3.36Å; T432-K436 PolarHBondContact O-N 3.35Å
433	A	74	Confident	81.5	Confident	32 Å²	32	44.3 Å²	44.3	26%	0.264	25%	0.245	S	C	.	.	H	α-helix	trans	-71.3	-47.9	-176.1	0	0	0	0	0	112.8	F431 Q435 K436 L437	F431-A433 PolarHBondContact O-N 3.43Å; A433-Q435 VanDerWaalsContact C-N 3.34Å; A433-Q435 PolarHBondContact O-N 3.22Å; A433-K436 PolarHBondContact O-N 3.04Å; A433-L437 WeakPolarHBondContact O-CG 3.45Å; A433-L437 PolarHBondContact O-N 3.3Å
434	P	80	Confident	80.6	Confident	21 Å²	21	43.8 Å²	43.8	14%	0.136	24%	0.239	C	C	.	.	H	α-helix	trans	-62	-38.2	171.5	-22.2	33.2	0	0	0	112.8	F350 M430 F431 K436 L437 I438 L497 F500	F350-P434 HydrophobicContact CE2-CB 3.6Å; F350-P434 HydrophobicContact CE2-CG 4.15Å; F350-P434 HydrophobicContact CZ-CB 3.8Å; M430-P434 WeakPolarHBondContact O-CD 3.42Å; F431-P434 WeakPolarHBondContact O-CD 3.38Å; P434-K436 VanDerWaalsContact C-N 3.33Å; P434-K436 PolarHBondContact O-N 3.35Å; P434-L437 CarbonylContact O-C 3.55Å; P434-L437 WeakPolarHBondContact O-CA 3.32Å; P434-L437 WeakPolarHBondContact O-CB 3.45Å; P434-L437 PolarHBondContact O-N 2.91Å; P434-I438 WeakPolarHBondContact O-CG1 3.44Å; P434-I438 PolarHBondContact O-N 3.49Å; P434-L497 HydrophobicContact CB-CD2 4.09Å; P434-F500 HydrophobicContact CG-CD2 4.19Å; P434-F500 HydrophobicContact CG-CE2 4.21Å; P434-F500 HydrophobicContact CG-CG 4.49Å
435	Q	78.9	Confident	79.7	Confident	74 Å²	74	44.4 Å²	44.4	35%	0.346	24%	0.242	S	C	.	.	H	α-helix	trans	-61.7	-39.4	176.3	-169.2	-176.1	83.8	0	0	112	F350 E354 F431 A433 L437 I438 Q439	F350-Q435 HydrophobicContact CE1-CB 4.12Å; F350-Q435 HydrophobicContact CZ-CB 4.14Å; E354-Q435 PolarHBondContact OE1-NE2 3.45Å; E354-Q435 PolarHBondContact OE2-NE2 2.84Å; F431-Q435 WeakPolarHBondContact O-CB 3.24Å; F431-Q435 PolarHBondContact O-N 3.41Å; F431-Q435 VanDerWaalsContact O-N 3.09Å; A433-Q435 VanDerWaalsContact C-N 3.34Å; A433-Q435 PolarHBondContact O-N 3.22Å; Q435-L437 VanDerWaalsContact C-N 3.34Å; Q435-I438 PolarHBondContact O-N 2.77Å; Q435-Q439 PolarHBondContact O-N 3.25Å; Q435-Q439 VanDerWaalsContact O-N 3.13Å
436	K	75.9	Confident	78.8	Confident	58 Å²	58	41.7 Å²	41.7	25%	0.252	23%	0.225	S	C	.	.	H	α-helix	trans	-65	-33.3	170.9	-77.4	168.2	167.8	176.6	0	112.7	E299 E302 T432 A433 P434 K440	E299-K436 IonicContact OE1-NZ 2.95Å; E299-K436 PolarHBondContact OE1-NZ 2.89Å; E302-K436 IonicContact OE2-NZ 3.11Å; E302-K436 PolarHBondContact OE2-NZ 3.01Å; T432-K436 WeakPolarHBondContact O-CB 3.49Å; T432-K436 WeakPolarHBondContact O-CG 3.36Å; T432-K436 PolarHBondContact O-N 3.35Å; A433-K436 PolarHBondContact O-N 3.04Å; P434-K436 VanDerWaalsContact C-N 3.33Å; P434-K436 PolarHBondContact O-N 3.35Å; K436-K440 WeakPolarHBondContact O-CB 3.31Å; K436-K440 PolarHBondContact O-N 2.95Å; K436-K440 VanDerWaalsContact O-N 3.15Å
437	L	73.5	Confident	77.8	Confident	8 Å²	8	39.4 Å²	39.4	4%	0.042	21%	0.206	C	C	.	.	H	α-helix	trans	-74.8	-37.5	175.4	-68.3	173.5	0	0	0	112.8	I291 Y295 A433 P434 Q435 K440 R441 L493	I291-L437 HydrophobicContact CG2-CD2 4.47Å; Y295-L437 HydrophobicContact CD2-CD2 3.96Å; Y295-L437 HydrophobicContact CE2-CD2 4.31Å; A433-L437 WeakPolarHBondContact O-CG 3.45Å; A433-L437 PolarHBondContact O-N 3.3Å; P434-L437 CarbonylContact O-C 3.55Å; P434-L437 WeakPolarHBondContact O-CA 3.32Å; P434-L437 WeakPolarHBondContact O-CB 3.45Å; P434-L437 PolarHBondContact O-N 2.91Å; Q435-L437 VanDerWaalsContact C-N 3.34Å; L437-K440 HydrophobicContact CD2-CD 4.15Å; L437-K440 CarbonylContact O-C 3.57Å; L437-K440 WeakPolarHBondContact O-CA 3.33Å; L437-K440 WeakPolarHBondContact O-CB 3.28Å; L437-K440 PolarHBondContact O-N 3.44Å; L437-K440 VanDerWaalsContact O-N 3.14Å; L437-R441 PolarHBondContact O-N 3.01Å; L437-L493 HydrophobicContact CB-CD1 3.76Å; L437-L493 HydrophobicContact CB-CD2 4.34Å; L437-L493 HydrophobicContact CD1-CD1 4.41Å
438	I	75.3	Confident	77	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-56.2	-52	170.4	-73.5	165.4	0	0	0	110.4	F343 E347 F350 P434 Q435 K440 R441 Y442 L493 L497	F343-I438 HydrophobicContact CE2-CG1 4.41Å; F343-I438 HydrophobicContact CZ-CG1 4.15Å; F343-I438 HydrophobicContact CZ-CG2 4.37Å; E347-I438 HydrophobicContact CG-CD1 4.26Å; E347-I438 HydrophobicContact CG-CG2 4.44Å; E347-I438 WeakPolarHBondContact OE2-CG2 3.5Å; F350-I438 HydrophobicContact CD1-CD1 3.58Å; F350-I438 HydrophobicContact CE1-CD1 3.65Å; F350-I438 HydrophobicContact CG-CD1 4.2Å; F350-I438 HydrophobicContact CZ-CD1 4.29Å; P434-I438 WeakPolarHBondContact O-CG1 3.44Å; P434-I438 PolarHBondContact O-N 3.49Å; Q435-I438 PolarHBondContact O-N 2.77Å; I438-K440 PolarHBondContact O-N 3.25Å; I438-R441 WeakPolarHBondContact O-CB 3.27Å; I438-R441 PolarHBondContact O-N 2.87Å; I438-Y442 HydrophobicContact CG2-CD2 4.21Å; I438-Y442 HydrophobicContact CG2-CE2 3.95Å; I438-Y442 WeakPolarHBondContact O-CD2 3.37Å; I438-Y442 PolarHBondContact O-N 3.03Å; I438-L493 HydrophobicContact CB-CD2 4.48Å; I438-L493 HydrophobicContact CG1-CD2 3.96Å; I438-L497 HydrophobicContact CD1-CD1 4.16Å; I438-L497 HydrophobicContact CD1-CD2 4.15Å; I438-L497 HydrophobicContact CG1-CD1 4.17Å
439	Q	76.4	Confident	76.1	Confident	115 Å²	115	37.8 Å²	37.8	54%	0.537	20%	0.198	S	C	.	.	H	α-helix	trans	-59.5	-37	176.5	-174.7	58.3	62.6	0	0	112	Q435 Y442 D443	Q435-Q439 PolarHBondContact O-N 3.25Å; Q435-Q439 VanDerWaalsContact O-N 3.13Å; Q439-Y442 PolarHBondContact O-N 3.08Å; Q439-D443 WeakPolarHBondContact O-CB 3.25Å; Q439-D443 PolarHBondContact O-N 3.02Å
440	K	73.1	Confident	75.4	Confident	23 Å²	23	36.4 Å²	36.4	10%	0.1	18%	0.182	C	C	.	.	H	α-helix	trans	-68.8	-30.7	176.6	-169.4	-155.8	175	-158.4	0	112.9	I291 Y295 K436 L437 I438 D443 K444 I489	I291-K440 VanDerWaalsContact CG2-NZ 3.27Å; Y295-K440 HydrophobicContact CE2-CD 3.82Å; Y295-K440 WeakPolarHBondContact OH-CD 3.19Å; Y295-K440 VanDerWaalsContact OH-CE 3.27Å; Y295-K440 WeakPolarHBondContact OH-CE 3.39Å; K436-K440 WeakPolarHBondContact O-CB 3.31Å; K436-K440 PolarHBondContact O-N 2.95Å; K436-K440 VanDerWaalsContact O-N 3.15Å; L437-K440 HydrophobicContact CD2-CD 4.15Å; L437-K440 CarbonylContact O-C 3.57Å; L437-K440 WeakPolarHBondContact O-CA 3.33Å; L437-K440 WeakPolarHBondContact O-CB 3.28Å; L437-K440 PolarHBondContact O-N 3.44Å; L437-K440 VanDerWaalsContact O-N 3.14Å; I438-K440 PolarHBondContact O-N 3.25Å; K440-D443 WeakPolarHBondContact O-CB 3.43Å; K440-K444 VanDerWaalsContact O-CB 3.29Å; K440-K444 WeakPolarHBondContact O-CB 3.21Å; K440-K444 VanDerWaalsContact O-CG 3.31Å; K440-K444 WeakPolarHBondContact O-CG 3.34Å; K440-K444 PolarHBondContact O-N 2.82Å; K440-K444 VanDerWaalsContact O-N 3.11Å; K440-I489 HydrophobicContact CD-CD1 4.16Å; K440-I489 VanDerWaalsContact NZ-CD1 3.28Å
441	R	80.3	Confident	74.5	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-62.9	-51.1	172.2	-179.5	-158.9	172.8	-114.3	0	110.1	F343 L437 I438 K444 L445 Y486 I489 N490 L493	F343-R441 VanDerWaalsContact CE2-CD 3.49Å; L437-R441 PolarHBondContact O-N 3.01Å; I438-R441 WeakPolarHBondContact O-CB 3.27Å; I438-R441 PolarHBondContact O-N 2.87Å; R441-K444 CarbonylContact O-C 3.39Å; R441-K444 WeakPolarHBondContact O-CA 3.38Å; R441-K444 WeakPolarHBondContact O-CB 3.38Å; R441-K444 PolarHBondContact O-N 2.84Å; R441-L445 PolarHBondContact O-N 3.4Å; R441-Y486 HydrophobicContact CG-CE2 4.09Å; R441-Y486 PolarHBondContact NH2-OH 2.87Å; R441-Y486 VanDerWaalsContact NH2-OH 3.12Å; R441-I489 HydrophobicContact CB-CG2 4.24Å; R441-N490 VanDerWaalsContact CZ-OD1 3.28Å; R441-N490 PolarHBondContact NE-OD1 3.26Å; R441-N490 PolarHBondContact NH2-OD1 3.45Å; R441-L493 HydrophobicContact CB-CD2 3.99Å
442	Y	74.3	Confident	73.5	Confident	73 Å²	73	42.2 Å²	42.2	29%	0.286	20%	0.204	S	C	.	.	H	α-helix	trans	-62	-44.2	177.6	-71.6	-65.4	0	0	0	112.4	F343 E347 I438 Q439 K444 L445 L446	F343-Y442 HydrophobicContact CE1-CE2 4.48Å; E347-Y442 WeakPolarHBondContact OE2-CE2 3.34Å; E347-Y442 PolarHBondContact OE2-OH 2.97Å; I438-Y442 HydrophobicContact CG2-CD2 4.21Å; I438-Y442 HydrophobicContact CG2-CE2 3.95Å; I438-Y442 WeakPolarHBondContact O-CD2 3.37Å; I438-Y442 PolarHBondContact O-N 3.03Å; Q439-Y442 PolarHBondContact O-N 3.08Å; Y442-K444 PolarHBondContact O-N 2.87Å; Y442-K444 VanDerWaalsContact O-N 3.1Å; Y442-L445 PolarHBondContact O-N 3.15Å; Y442-L446 WeakPolarHBondContact O-CG 3.47Å; Y442-L446 PolarHBondContact O-N 2.89Å
443	D	71.4	Confident	72.4	Confident	50 Å²	50	42.6 Å²	42.6	27%	0.267	20%	0.202	S	C	.	.	H	α-helix	trans	-49.2	-33.7	168.5	-103	11.6	0	0	0	113.3	R323 Q439 K440 D447	R323-D443 IonicContact CZ-OD1 3.79Å; R323-D443 IonicContact CZ-OD2 3.34Å; R323-D443 PolarHBondContact NE-O 3.03Å; R323-D443 VanDerWaalsContact NE-O 3.17Å; R323-D443 IonicContact NH1-OD1 3.41Å; R323-D443 PolarHBondContact NH1-OD1 3.32Å; R323-D443 IonicContact NH1-OD2 2.76Å; R323-D443 PolarHBondContact NH1-OD2 3.25Å; R323-D443 PolarHBondContact NH2-O 3.03Å; R323-D443 IonicContact NH2-OD2 3.6Å; Q439-D443 WeakPolarHBondContact O-CB 3.25Å; Q439-D443 PolarHBondContact O-N 3.02Å; K440-D443 WeakPolarHBondContact O-CB 3.43Å; D443-D447 PolarHBondContact O-N 3.16Å
444	K	75.4	Confident	71.7	Confident	30 Å²	30	47.4 Å²	47.4	13%	0.13	21%	0.213	C	C	.	.	H	α-helix	trans	-92.2	-31.8	-175.1	-84	-72.3	-170.2	-175	0	114.2	K440 R441 Y442 L446 D447 Y448 D485 Y486 I489	K440-K444 VanDerWaalsContact O-CB 3.29Å; K440-K444 WeakPolarHBondContact O-CB 3.21Å; K440-K444 VanDerWaalsContact O-CG 3.31Å; K440-K444 WeakPolarHBondContact O-CG 3.34Å; K440-K444 PolarHBondContact O-N 2.82Å; K440-K444 VanDerWaalsContact O-N 3.11Å; R441-K444 CarbonylContact O-C 3.39Å; R441-K444 WeakPolarHBondContact O-CA 3.38Å; R441-K444 WeakPolarHBondContact O-CB 3.38Å; R441-K444 PolarHBondContact O-N 2.84Å; Y442-K444 PolarHBondContact O-N 2.87Å; Y442-K444 VanDerWaalsContact O-N 3.1Å; K444-L446 VanDerWaalsContact C-N 3.3Å; K444-D447 HydrophobicContact CD-CB 4.26Å; K444-D447 IonicContact NZ-OD2 3.96Å; K444-D447 PolarHBondContact NZ-OD2 3.26Å; K444-D447 PolarHBondContact O-N 3.38Å; K444-Y448 PolarHBondContact O-N 3.03Å; K444-Y448 VanDerWaalsContact O-N 3.1Å; K444-D485 HydrophobicContact CD-CB 4.17Å; K444-D485 WeakPolarHBondContact CE-OD2 3.45Å; K444-D485 IonicContact NZ-OD2 3.8Å; K444-D485 PolarHBondContact NZ-OD2 2.92Å; K444-Y486 HydrophobicContact CB-CD2 4.47Å; K444-I489 HydrophobicContact CG-CD1 3.91Å
445	L	73.6	Confident	70.4	Confident	13 Å²	13	49.7 Å²	49.7	7%	0.068	23%	0.23	C	C	.	.	H	α-helix	trans	-59	-45.8	165.3	178.2	53.2	0	0	0	109.8	V338 R441 Y442 Y448 C449 Y486	V338-L445 HydrophobicContact CB-CD1 4.04Å; V338-L445 HydrophobicContact CG2-CD1 4.42Å; R441-L445 PolarHBondContact O-N 3.4Å; Y442-L445 PolarHBondContact O-N 3.15Å; L445-Y448 HydrophobicContact CD1-CD1 4.33Å; L445-Y448 WeakPolarHBondContact O-CA 3.47Å; L445-Y448 WeakPolarHBondContact O-CB 3.43Å; L445-Y448 PolarHBondContact O-N 3.01Å; L445-C449 PolarHBondContact O-N 3.47Å; L445-C449 PolarHBondContact O-SG 3.16Å; L445-Y486 HydrophobicContact CB-CD2 3.92Å; L445-Y486 HydrophobicContact CB-CE2 3.71Å; L445-Y486 HydrophobicContact CD1-CE1 4.28Å; L445-Y486 HydrophobicContact CD1-CE2 4.09Å; L445-Y486 HydrophobicContact CG-CE2 4.33Å
446	L	70.4	Confident	69.2	Low	18 Å²	18	49.4 Å²	49.4	9%	0.094	24%	0.236	C	C	.	.	H	α-helix	trans	-64.8	-40.5	175	-65.2	167	0	0	0	112.5	R323 I330 Y442 K444 Y448 C450	R323-L446 HydrophobicContact CB-CB 4.09Å; R323-L446 HydrophobicContact CB-CD1 4.09Å; R323-L446 HydrophobicContact CG-CB 3.84Å; I330-L446 HydrophobicContact CD1-CD2 3.91Å; Y442-L446 WeakPolarHBondContact O-CG 3.47Å; Y442-L446 PolarHBondContact O-N 2.89Å; K444-L446 VanDerWaalsContact C-N 3.3Å; L446-Y448 PolarHBondContact O-N 3.47Å; L446-C450 WeakPolarHBondContact O-CB 3.32Å; L446-C450 PolarHBondContact O-N 3.08Å; L446-C450 VanDerWaalsContact O-N 3.1Å; L446-C450 PolarHBondContact O-SG 3Å; L446-C450 VanDerWaalsContact O-SG 3.34Å
447	D	71.6	Confident	68	Low	22 Å²	22	49.3 Å²	49.3	12%	0.118	24%	0.243	C	C	.	.	H	α-helix	trans	-59	-24.1	170.8	-83.5	-5.4	0	0	0	113	R323 D443 K444	R323-D447 IonicContact CZ-OD1 3.3Å; R323-D447 IonicContact CZ-OD2 3.7Å; R323-D447 IonicContact NE-OD1 3.61Å; R323-D447 PolarHBondContact NE-OD1 3.26Å; R323-D447 VanDerWaalsContact NH2-CG 3.25Å; R323-D447 IonicContact NH2-OD1 3.72Å; R323-D447 PolarHBondContact NH2-OD1 3.11Å; R323-D447 IonicContact NH2-OD2 2.76Å; R323-D447 PolarHBondContact NH2-OD2 3.35Å; D443-D447 PolarHBondContact O-N 3.16Å; K444-D447 HydrophobicContact CD-CB 4.26Å; K444-D447 IonicContact NZ-OD2 3.96Å; K444-D447 PolarHBondContact NZ-OD2 3.26Å; K444-D447 PolarHBondContact O-N 3.38Å
448	Y	73.4	Confident	66.8	Low	43 Å²	43	54.8 Å²	54.8	17%	0.169	27%	0.272	C	S	.	.	H	α-helix	trans	-87.4	-52.8	178.6	166.6	-122.9	0	0	0	111.9	K444 L445 L446 C450 R451 L452 K483 Y486	K444-Y448 PolarHBondContact O-N 3.03Å; K444-Y448 VanDerWaalsContact O-N 3.1Å; L445-Y448 HydrophobicContact CD1-CD1 4.33Å; L445-Y448 WeakPolarHBondContact O-CA 3.47Å; L445-Y448 WeakPolarHBondContact O-CB 3.43Å; L445-Y448 PolarHBondContact O-N 3.01Å; L446-Y448 PolarHBondContact O-N 3.47Å; Y448-C450 PolarHBondContact O-N 3.39Å; Y448-R451 PolarHBondContact O-N 2.67Å; Y448-L452 PolarHBondContact O-N 3.36Å; Y448-K483 HydrophobicContact CD2-CB 3.68Å; Y448-K483 HydrophobicContact CD2-CG 4.24Å; Y448-K483 HydrophobicContact CE2-CB 3.58Å; Y448-K483 HydrophobicContact CE2-CD 3.81Å; Y448-K483 HydrophobicContact CE2-CG 3.76Å; Y448-Y486 HydrophobicContact CD1-CD1 4.38Å
449	C	69.1	Low	65.4	Low	7 Å²	7	58.7 Å²	58.7	5%	0.047	30%	0.299	C	S	.	.	H	α-helix	trans	-52.3	-53.2	175.6	-68.1	0	0	0	0	111.5	E335 L445 R451 L452 E453	E335-C449 WeakPolarHBondContact OE1-CB 3.42Å; L445-C449 PolarHBondContact O-N 3.47Å; L445-C449 PolarHBondContact O-SG 3.16Å; C449-R451 PolarHBondContact O-N 2.85Å; C449-L452 WeakPolarHBondContact O-CB 3.15Å; C449-L452 PolarHBondContact O-N 3.17Å; C449-E453 PolarHBondContact O-N 3.1Å
450	C	66.9	Low	63.7	Low	14 Å²	14	57.2 Å²	57.2	10%	0.095	30%	0.301	C	S	.	.	H	α-helix	trans	-65.1	-2.5	178.4	-59.9	0	0	0	0	115	L446 Y448 R454	L446-C450 WeakPolarHBondContact O-CB 3.32Å; L446-C450 PolarHBondContact O-N 3.08Å; L446-C450 VanDerWaalsContact O-N 3.1Å; L446-C450 PolarHBondContact O-SG 3Å; L446-C450 VanDerWaalsContact O-SG 3.34Å; Y448-C450 PolarHBondContact O-N 3.39Å; C450-R454 WeakPolarHBondContact O-CD 3.4Å
451	R	66.1	Low	62.2	Low	142 Å²	142	60.9 Å²	60.9	54%	0.536	33%	0.33	S	S	.	.	H	α-helix	trans	-103.3	-33.9	166.3	-74.8	-165.2	-178.4	-140.5	-4.2	113.1	Y448 C449 E453 R454 S455	Y448-R451 PolarHBondContact O-N 2.67Å; C449-R451 PolarHBondContact O-N 2.85Å; R451-E453 VanDerWaalsContact C-N 3.29Å; R451-E453 PolarHBondContact O-N 3.35Å; R451-R454 PolarHBondContact O-N 3.17Å; R451-R454 VanDerWaalsContact O-N 3.13Å; R451-S455 PolarHBondContact O-N 3.1Å; R451-S455 VanDerWaalsContact O-N 3.1Å; R451-S455 PolarHBondContact O-OG 3.2Å
452	L	63.3	Low	60.3	Low	88 Å²	88	65.4 Å²	65.4	46%	0.461	36%	0.362	S	S	.	.	H	α-helix	trans	-58.4	-44.8	173.3	-170.2	64.5	0	0	0	110.4	Y448 C449 R454 S455 S456	Y448-L452 PolarHBondContact O-N 3.36Å; C449-L452 WeakPolarHBondContact O-CB 3.15Å; C449-L452 PolarHBondContact O-N 3.17Å; L452-R454 VanDerWaalsContact C-N 3.3Å; L452-R454 PolarHBondContact O-N 3.03Å; L452-S455 WeakPolarHBondContact CA-OG 3.29Å; L452-S455 PolarHBondContact O-N 2.97Å; L452-S455 PolarHBondContact O-OG 2.79Å; L452-S456 PolarHBondContact O-N 3.45Å; L452-S456 PolarHBondContact O-OG 2.9Å
453	E	58.6	Low	58.6	Low	59 Å²	59	66.9 Å²	66.9	28%	0.276	38%	0.383	S	S	.	.	H	α-helix	trans	-56.8	-39.8	172.5	-63.7	-162.4	107.5	0	0	113.3	K329 C449 R451 S455 S456 S457	K329-E453 IonicContact NZ-OE1 2.66Å; K329-E453 PolarHBondContact NZ-OE1 2.85Å; K329-E453 IonicContact NZ-OE2 3.73Å; K329-E453 PolarHBondContact NZ-OE2 3.29Å; C449-E453 PolarHBondContact O-N 3.1Å; R451-E453 VanDerWaalsContact C-N 3.29Å; R451-E453 PolarHBondContact O-N 3.35Å; E453-S455 VanDerWaalsContact C-N 3.33Å; E453-S456 WeakPolarHBondContact CA-OG 3.28Å; E453-S456 PolarHBondContact O-N 3.08Å; E453-S456 PolarHBondContact O-OG 3.19Å; E453-S456 VanDerWaalsContact O-OG 3.04Å; E453-S457 WeakPolarHBondContact O-CB 3.44Å; E453-S457 PolarHBondContact O-N 3.34Å; E453-S457 PolarHBondContact O-OG 3.04Å
454	R	58.3	Low	57	Low	133 Å²	133	70.5 Å²	70.5	50%	0.502	41%	0.407	S	S	.	.	H	α-helix	trans	-73.1	-26.7	-179.1	-69.3	179.3	-178.3	153.9	8.2	112.2	D322 C450 R451 L452 S457 L458	D322-R454 IonicContact OD2-CZ 2.78Å; D322-R454 IonicContact OD2-NH1 3.89Å; D322-R454 IonicContact OD2-NH2 2.68Å; D322-R454 PolarHBondContact OD2-NH2 2.93Å; C450-R454 WeakPolarHBondContact O-CD 3.4Å; R451-R454 PolarHBondContact O-N 3.17Å; R451-R454 VanDerWaalsContact O-N 3.13Å; L452-R454 VanDerWaalsContact C-N 3.3Å; L452-R454 PolarHBondContact O-N 3.03Å; R454-S457 PolarHBondContact O-OG 3.1Å; R454-L458 WeakPolarHBondContact O-CD1 3.27Å
455	S	53.3	Low	55	Low	69 Å²	69	74.4 Å²	74.4	48%	0.483	44%	0.438	S	S	.	.	H	α-helix	trans	-73.4	-45.9	168.4	30.1	0	0	0	0	112.2	R451 L452 E453 S457 L458 S459	R451-S455 PolarHBondContact O-N 3.1Å; R451-S455 VanDerWaalsContact O-N 3.1Å; R451-S455 PolarHBondContact O-OG 3.2Å; L452-S455 WeakPolarHBondContact CA-OG 3.29Å; L452-S455 PolarHBondContact O-N 2.97Å; L452-S455 PolarHBondContact O-OG 2.79Å; E453-S455 VanDerWaalsContact C-N 3.33Å; S455-S457 PolarHBondContact O-N 3.4Å; S455-L458 PolarHBondContact O-N 3.22Å; S455-S459 PolarHBondContact O-N 3.17Å; S455-S459 PolarHBondContact O-OG 3.41Å
456	S	52.9	Low	53	Low	68 Å²	68	80.3 Å²	80.3	48%	0.476	48%	0.475	S	S	.	.	H	α-helix	trans	-65.3	-38.8	-179.1	56.3	0	0	0	0	112.2	L452 E453 L458 S459 S460	L452-S456 PolarHBondContact O-N 3.45Å; L452-S456 PolarHBondContact O-OG 2.9Å; E453-S456 WeakPolarHBondContact CA-OG 3.28Å; E453-S456 PolarHBondContact O-N 3.08Å; E453-S456 PolarHBondContact O-OG 3.19Å; E453-S456 VanDerWaalsContact O-OG 3.04Å; S456-L458 VanDerWaalsContact C-N 3.3Å; S456-L458 PolarHBondContact O-N 3.32Å; S456-S459 WeakPolarHBondContact CA-OG 3.24Å; S456-S459 PolarHBondContact O-N 2.96Å; S456-S459 PolarHBondContact O-OG 3.41Å; S456-S460 PolarHBondContact O-N 3.27Å; S456-S460 PolarHBondContact O-OG 3Å
457	S	50.2	Low	51.4	Low	56 Å²	56	87.7 Å²	87.7	39%	0.392	51%	0.513	S	S	.	.	H	α-helix	trans	-62.2	-33.1	176.6	67.6	0	0	0	0	113.5	E453 R454 S455 S460 S461	E453-S457 WeakPolarHBondContact O-CB 3.44Å; E453-S457 PolarHBondContact O-N 3.34Å; E453-S457 PolarHBondContact O-OG 3.04Å; R454-S457 PolarHBondContact O-OG 3.1Å; S455-S457 PolarHBondContact O-N 3.4Å; S457-S460 WeakPolarHBondContact CA-OG 3.46Å; S457-S460 PolarHBondContact O-OG 3.01Å; S457-S461 PolarHBondContact O-OG 2.83Å
458	L	48.1	Very low	49.4	Very low	124 Å²	124	91.8 Å²	91.8	65%	0.649	54%	0.544	S	S	*	.	H	α-helix	trans	-74.1	-38.2	175.4	-95.8	92.4	0	0	0	112.2	R454 S455 S456 S460 S461 S462	R454-L458 WeakPolarHBondContact O-CD1 3.27Å; S455-L458 PolarHBondContact O-N 3.22Å; S456-L458 VanDerWaalsContact C-N 3.3Å; S456-L458 PolarHBondContact O-N 3.32Å; L458-S460 VanDerWaalsContact C-N 3.33Å; L458-S460 PolarHBondContact O-N 3.48Å; L458-S461 PolarHBondContact O-N 3.31Å; L458-S462 PolarHBondContact O-OG 2.93Å
459	S	46.2	Very low	47.9	Very low	84 Å²	84	96 Å²	96	59%	0.587	58%	0.576	S	S	*	*	H	α-helix	trans	-64.1	-35.8	174.8	43.3	0	0	0	0	112.8	S455 S456 S461 S462	S455-S459 PolarHBondContact O-N 3.17Å; S455-S459 PolarHBondContact O-OG 3.41Å; S456-S459 WeakPolarHBondContact CA-OG 3.24Å; S456-S459 PolarHBondContact O-N 2.96Å; S456-S459 PolarHBondContact O-OG 3.41Å; S459-S461 PolarHBondContact O-N 3.15Å; S459-S462 PolarHBondContact O-N 3.41Å
460	S	42	Very low	46	Very low	84 Å²	84	101.8 Å²	101.8	59%	0.587	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-10.4	175.1	50.7	0	0	0	0	114.7	S456 S457 L458	S456-S460 PolarHBondContact O-N 3.27Å; S456-S460 PolarHBondContact O-OG 3Å; S457-S460 WeakPolarHBondContact CA-OG 3.46Å; S457-S460 PolarHBondContact O-OG 3.01Å; L458-S460 VanDerWaalsContact C-N 3.33Å; L458-S460 PolarHBondContact O-N 3.48Å
461	S	40.6	Very low	44.5	Very low	100 Å²	100	107 Å²	107	70%	0.699	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	7	177.7	-58.7	0	0	0	0	113.8	S457 L458 S459	S457-S461 PolarHBondContact O-OG 2.83Å; L458-S461 PolarHBondContact O-N 3.31Å; S459-S461 PolarHBondContact O-N 3.15Å
462	S	41.2	Very low	42.7	Very low	97 Å²	97	105.4 Å²	105.4	68%	0.678	66%	0.659	S	S	*	*			trans	-122	34.5	-170.1	-57.8	0	0	0	0	113.3	L458 S459	L458-S462 PolarHBondContact O-OG 2.93Å; S459-S462 PolarHBondContact O-N 3.41Å
463	S	39	Very low	41.5	Very low	103 Å²	103	106.6 Å²	106.6	72%	0.72	67%	0.672	S	S	*	*			trans	-107.7	55.6	-172.4	64.4	0	0	0	0	114.3
464	T	35.9	Very low	40.4	Very low	127 Å²	127	108.8 Å²	108.8	78%	0.779	70%	0.7	S	S	*	*			trans	-142	127.4	167	30.1	0	0	0	0	110.7
465	S	34	Very low	39.2	Very low	111 Å²	111	106.6 Å²	106.6	78%	0.776	71%	0.705	S	S	*	*	S	Bend	trans	47.4	110.4	168.9	57.9	0	0	0	0	116.8
466	T	32.8	Very low	38.3	Very low	138 Å²	138	110.1 Å²	110.1	85%	0.847	72%	0.719	S	S	*	*			cis	-158.9	168	45.5	42.1	0	0	0	0	112.3
467	L	37	Very low	37.7	Very low	172 Å²	172	110.8 Å²	110.8	90%	0.901	73%	0.728	S	S	*	*			trans	-85.5	135.6	179.6	-71.1	120.7	0	0	0	113.1
468	S	28.8	Very low	37.4	Very low	109 Å²	109	113.2 Å²	113.2	76%	0.762	74%	0.743	S	S	*	*			trans	-160.5	121.4	159.2	-77.9	0	0	0	0	110	T470	S468-T470 PolarHBondContact O-N 3.4Å
469	P	42	Very low	37.7	Very low	131 Å²	131	109.6 Å²	109.6	85%	0.851	73%	0.727	S	S	*	*			trans	-95.2	91.3	-171.5	35.2	-33.6	0	0	0	113.4
470	T	29.3	Very low	38.7	Very low	128 Å²	128	107.5 Å²	107.5	79%	0.785	72%	0.718	S	S	*	*			trans	-133.6	83.2	165.5	42.1	0	0	0	0	111.1	S468 S472	S468-T470 PolarHBondContact O-N 3.4Å; T470-S472 PolarHBondContact O-N 2.99Å; T470-S472 VanDerWaalsContact O-N 3.11Å
471	S	34.7	Very low	39.9	Very low	125 Å²	125	107.3 Å²	107.3	87%	0.874	72%	0.715	S	S	*	*			trans	-78.5	89.6	-179.5	55.7	0	0	0	0	112.5
472	S	29.1	Very low	41	Very low	108 Å²	108	103 Å²	103	76%	0.755	69%	0.685	S	S	*	*			trans	-89.3	133.6	162.6	-61.8	0	0	0	0	110.1	T470	T470-S472 PolarHBondContact O-N 2.99Å; T470-S472 VanDerWaalsContact O-N 3.11Å
473	P	37.7	Very low	42.4	Very low	112 Å²	112	101.9 Å²	101.9	73%	0.727	67%	0.668	S	S	*	*			trans	-68.2	134.5	-177.7	27.4	-34.1	0	0	0	111.9	S475	P473-S475 PolarHBondContact O-N 3.34Å
474	A	35.4	Very low	43.9	Very low	106 Å²	106	103.3 Å²	103.3	88%	0.876	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	46.3	-176.1	0	0	0	0	0	113.6
475	S	33.4	Very low	45.4	Very low	87 Å²	87	99.3 Å²	99.3	61%	0.608	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-33.3	-178.4	47.4	0	0	0	0	114.1	P473 A477	P473-S475 PolarHBondContact O-N 3.34Å; S475-A477 PolarHBondContact O-N 3.33Å
476	D	34.1	Very low	47.3	Very low	143 Å²	143	94.8 Å²	94.8	77%	0.765	60%	0.598	S	S	*	*			trans	-96.3	6.8	-157.4	-68.7	18	0	0	0	114.5	P478	D476-P478 VanDerWaalsContact O-CD 3.32Å; D476-P478 WeakPolarHBondContact O-CD 3.26Å
477	A	39.8	Very low	49.2	Very low	81 Å²	81	91.8 Å²	91.8	67%	0.669	57%	0.574	S	S	*	*	S	Bend	trans	-71.2	114.2	174.6	0	0	0	0	0	110.3	S475	S475-A477 PolarHBondContact O-N 3.33Å
478	P	44.4	Very low	50.8	Low	108 Å²	108	84.7 Å²	84.7	70%	0.701	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-63.6	132.8	-172.1	24.2	-34	0	0	0	111.1	D476 G480	D476-P478 VanDerWaalsContact O-CD 3.32Å; D476-P478 WeakPolarHBondContact O-CD 3.26Å; P478-G480 PolarHBondContact O-N 3.02Å
479	P	54.3	Low	52.8	Low	48 Å²	48	80.1 Å²	80.1	31%	0.312	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-55.2	136	-165	14.2	-28.5	0	0	0	113.2	K483 R484	P479-K483 HydrophobicContact CB-CB 4.19Å; P479-K483 HydrophobicContact CB-CD 3.8Å; P479-K483 HydrophobicContact CB-CG 3.96Å; P479-R484 HydrophobicContact CB-CG 4.08Å; P479-R484 HydrophobicContact CG-CG 3.79Å; P479-R484 PolarHBondContact O-NE 2.91Å; P479-R484 PolarHBondContact O-NH2 3.48Å; P479-R484 VanDerWaalsContact O-NH2 3.15Å
480	G	67	Low	54.4	Low	39 Å²	39	74.8 Å²	74.8	40%	0.402	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-56.5	152.3	-178.1	0	0	0	0	0	112.3	P478 A482 K483 R484	P478-G480 PolarHBondContact O-N 3.02Å; G480-A482 PolarHBondContact O-N 3.08Å; G480-K483 WeakPolarHBondContact O-CB 3.44Å; G480-K483 PolarHBondContact O-N 3.44Å; G480-R484 PolarHBondContact O-N 3.33Å; G480-R484 VanDerWaalsContact O-N 3.16Å
481	P	67.1	Low	56.4	Low	80 Å²	80	71.5 Å²	71.5	52%	0.519	46%	0.457	S	S	.	.	H	α-helix	trans	-61.6	-20.8	-169	22.5	-33.8	0	0	0	114.7	D485	P481-D485 VanDerWaalsContact O-CB 3.27Å; P481-D485 WeakPolarHBondContact O-CB 3.37Å; P481-D485 PolarHBondContact O-N 3.45Å; P481-D485 VanDerWaalsContact O-N 3.16Å
482	A	64.7	Low	58.1	Low	9 Å²	9	66.1 Å²	66.1	7%	0.074	42%	0.419	C	S	.	.	H	α-helix	trans	-77.2	-38.1	171.7	0	0	0	0	0	113.1	G480 D485 Y486	G480-A482 PolarHBondContact O-N 3.08Å; A482-D485 PolarHBondContact O-N 2.72Å; A482-Y486 PolarHBondContact O-N 2.65Å
483	K	70.5	Confident	60.3	Low	75 Å²	75	61 Å²	61	33%	0.326	38%	0.383	S	S	.	.	H	α-helix	trans	-61.4	-52.2	175.5	-178.8	167.4	168.2	176.3	0	109.9	Y448 P479 G480 D485 Y486 E487	Y448-K483 HydrophobicContact CD2-CB 3.68Å; Y448-K483 HydrophobicContact CD2-CG 4.24Å; Y448-K483 HydrophobicContact CE2-CB 3.58Å; Y448-K483 HydrophobicContact CE2-CD 3.81Å; Y448-K483 HydrophobicContact CE2-CG 3.76Å; P479-K483 HydrophobicContact CB-CB 4.19Å; P479-K483 HydrophobicContact CB-CD 3.8Å; P479-K483 HydrophobicContact CB-CG 3.96Å; G480-K483 WeakPolarHBondContact O-CB 3.44Å; G480-K483 PolarHBondContact O-N 3.44Å; K483-D485 PolarHBondContact O-N 3.4Å; K483-Y486 WeakPolarHBondContact O-CB 3.31Å; K483-Y486 PolarHBondContact O-N 2.84Å; K483-Y486 VanDerWaalsContact O-N 3.08Å; K483-E487 WeakPolarHBondContact CE-OE1 3.38Å; K483-E487 VanDerWaalsContact CG-CD 3.49Å; K483-E487 HydrophobicContact CG-CG 4.3Å; K483-E487 WeakPolarHBondContact CG-OE1 3.13Å; K483-E487 WeakPolarHBondContact CG-OE2 3.4Å; K483-E487 IonicContact NZ-OE1 3.51Å; K483-E487 VanDerWaalsContact O-CG 3.31Å; K483-E487 WeakPolarHBondContact O-CG 3.29Å; K483-E487 PolarHBondContact O-N 2.68Å
484	R	69	Low	62.1	Low	132 Å²	132	56.7 Å²	56.7	50%	0.498	35%	0.354	S	S	.	.	H	α-helix	trans	-60.4	-39.2	174.5	-79.6	-175.1	-76.9	143.1	-6.2	114.2	P479 G480 Y486 E487 A488	P479-R484 HydrophobicContact CB-CG 4.08Å; P479-R484 HydrophobicContact CG-CG 3.79Å; P479-R484 PolarHBondContact O-NE 2.91Å; P479-R484 PolarHBondContact O-NH2 3.48Å; P479-R484 VanDerWaalsContact O-NH2 3.15Å; G480-R484 PolarHBondContact O-N 3.33Å; G480-R484 VanDerWaalsContact O-N 3.16Å; R484-Y486 VanDerWaalsContact C-N 3.29Å; R484-Y486 PolarHBondContact O-N 2.94Å; R484-E487 WeakPolarHBondContact CA-OE2 3.49Å; R484-E487 PolarHBondContact N-OE2 2.87Å; R484-A488 VanDerWaalsContact O-CB 3.24Å; R484-A488 WeakPolarHBondContact O-CB 3.39Å; R484-A488 PolarHBondContact O-N 3.42Å
485	D	69	Low	64	Low	44 Å²	44	54.8 Å²	54.8	24%	0.235	33%	0.329	C	S	.	.	H	α-helix	trans	-64.7	-33	175.4	-101.3	18.4	0	0	0	112.3	R287 K444 P481 A482 K483 I489	R287-D485 IonicContact CZ-OD1 2.62Å; R287-D485 IonicContact NH2-OD1 2.77Å; R287-D485 PolarHBondContact NH2-OD1 3.06Å; K444-D485 HydrophobicContact CD-CB 4.17Å; K444-D485 WeakPolarHBondContact CE-OD2 3.45Å; K444-D485 IonicContact NZ-OD2 3.8Å; K444-D485 PolarHBondContact NZ-OD2 2.92Å; P481-D485 VanDerWaalsContact O-CB 3.27Å; P481-D485 WeakPolarHBondContact O-CB 3.37Å; P481-D485 PolarHBondContact O-N 3.45Å; P481-D485 VanDerWaalsContact O-N 3.16Å; A482-D485 PolarHBondContact O-N 2.72Å; K483-D485 PolarHBondContact O-N 3.4Å; D485-I489 VanDerWaalsContact O-CD1 3.26Å; D485-I489 WeakPolarHBondContact O-CD1 2.79Å; D485-I489 VanDerWaalsContact O-CG1 3.31Å; D485-I489 WeakPolarHBondContact O-CG1 3.46Å
486	Y	74.2	Confident	66.2	Low	15 Å²	15	54.1 Å²	54.1	6%	0.059	32%	0.316	C	S	.	.	H	α-helix	trans	-74.1	-54.1	173.6	166.1	-108.5	0	0	0	111.1	R441 K444 L445 Y448 A482 K483 R484 A488 I489 N490	R441-Y486 HydrophobicContact CG-CE2 4.09Å; R441-Y486 PolarHBondContact NH2-OH 2.87Å; R441-Y486 VanDerWaalsContact NH2-OH 3.12Å; K444-Y486 HydrophobicContact CB-CD2 4.47Å; L445-Y486 HydrophobicContact CB-CD2 3.92Å; L445-Y486 HydrophobicContact CB-CE2 3.71Å; L445-Y486 HydrophobicContact CD1-CE1 4.28Å; L445-Y486 HydrophobicContact CD1-CE2 4.09Å; L445-Y486 HydrophobicContact CG-CE2 4.33Å; Y448-Y486 HydrophobicContact CD1-CD1 4.38Å; A482-Y486 PolarHBondContact O-N 2.65Å; K483-Y486 WeakPolarHBondContact O-CB 3.31Å; K483-Y486 PolarHBondContact O-N 2.84Å; K483-Y486 VanDerWaalsContact O-N 3.08Å; R484-Y486 VanDerWaalsContact C-N 3.29Å; R484-Y486 PolarHBondContact O-N 2.94Å; Y486-A488 VanDerWaalsContact C-N 3.34Å; Y486-A488 PolarHBondContact O-N 2.97Å; Y486-I489 PolarHBondContact O-N 3.27Å; Y486-I489 VanDerWaalsContact O-N 3.08Å; Y486-N490 HydrophobicContact CE2-CB 4.24Å; Y486-N490 WeakPolarHBondContact O-CB 3.47Å; Y486-N490 PolarHBondContact O-N 2.66Å; Y486-N490 PolarHBondContact OH-OD1 3.37Å
487	E	72.4	Confident	68.4	Low	75 Å²	75	47.3 Å²	47.3	35%	0.35	28%	0.28	S	S	.	.	H	α-helix	trans	-55.2	-45.6	-178.2	-69.9	164.4	150.7	0	0	112.2	K483 R484 I489 N490 A491	K483-E487 WeakPolarHBondContact CE-OE1 3.38Å; K483-E487 VanDerWaalsContact CG-CD 3.49Å; K483-E487 HydrophobicContact CG-CG 4.3Å; K483-E487 WeakPolarHBondContact CG-OE1 3.13Å; K483-E487 WeakPolarHBondContact CG-OE2 3.4Å; K483-E487 IonicContact NZ-OE1 3.51Å; K483-E487 VanDerWaalsContact O-CG 3.31Å; K483-E487 WeakPolarHBondContact O-CG 3.29Å; K483-E487 PolarHBondContact O-N 2.68Å; R484-E487 WeakPolarHBondContact CA-OE2 3.49Å; R484-E487 PolarHBondContact N-OE2 2.87Å; E487-I489 VanDerWaalsContact C-N 3.35Å; E487-I489 PolarHBondContact O-N 2.93Å; E487-N490 PolarHBondContact O-N 3.48Å; E487-A491 WeakPolarHBondContact O-CB 3.43Å; E487-A491 PolarHBondContact O-N 2.91Å
488	A	68.9	Low	70.7	Confident	23 Å²	23	46.8 Å²	46.8	19%	0.19	26%	0.264	C	S	.	.	H	α-helix	trans	-66.5	-33.6	178.9	0	0	0	0	0	113.2	R484 Y486 L492	R484-A488 VanDerWaalsContact O-CB 3.24Å; R484-A488 WeakPolarHBondContact O-CB 3.39Å; R484-A488 PolarHBondContact O-N 3.42Å; Y486-A488 VanDerWaalsContact C-N 3.34Å; Y486-A488 PolarHBondContact O-N 2.97Å; A488-L492 VanDerWaalsContact O-CB 3.27Å; A488-L492 WeakPolarHBondContact O-CB 3.31Å; A488-L492 PolarHBondContact O-N 3.13Å
489	I	70.8	Confident	72.5	Confident	14 Å²	14	49.7 Å²	49.7	7%	0.072	26%	0.261	C	S	.	.	H	α-helix	trans	-76	-38.9	174.9	-72.1	170.3	0	0	0	110.6	K440 R441 K444 D485 Y486 E487 L493	K440-I489 HydrophobicContact CD-CD1 4.16Å; K440-I489 VanDerWaalsContact NZ-CD1 3.28Å; R441-I489 HydrophobicContact CB-CG2 4.24Å; K444-I489 HydrophobicContact CG-CD1 3.91Å; D485-I489 VanDerWaalsContact O-CD1 3.26Å; D485-I489 WeakPolarHBondContact O-CD1 2.79Å; D485-I489 VanDerWaalsContact O-CG1 3.31Å; D485-I489 WeakPolarHBondContact O-CG1 3.46Å; Y486-I489 PolarHBondContact O-N 3.27Å; Y486-I489 VanDerWaalsContact O-N 3.08Å; E487-I489 VanDerWaalsContact C-N 3.35Å; E487-I489 PolarHBondContact O-N 2.93Å; I489-L493 WeakPolarHBondContact O-CB 3.49Å; I489-L493 PolarHBondContact O-N 3.15Å
490	N	77.3	Confident	74	Confident	19 Å²	19	48.9 Å²	48.9	10%	0.102	25%	0.252	C	S	.	.	H	α-helix	trans	-62.9	-53.9	178.8	-172.7	90.8	0	0	0	111.2	D340 R441 Y486 E487 L492 L493 V494	D340-N490 PolarHBondContact OD2-ND2 3.08Å; D340-N490 PolarHBondContact OD2-OD1 3.37Å; R441-N490 VanDerWaalsContact CZ-OD1 3.28Å; R441-N490 PolarHBondContact NE-OD1 3.26Å; R441-N490 PolarHBondContact NH2-OD1 3.45Å; Y486-N490 HydrophobicContact CE2-CB 4.24Å; Y486-N490 WeakPolarHBondContact O-CB 3.47Å; Y486-N490 PolarHBondContact O-N 2.66Å; Y486-N490 PolarHBondContact OH-OD1 3.37Å; E487-N490 PolarHBondContact O-N 3.48Å; N490-L492 PolarHBondContact O-N 3.48Å; N490-L493 PolarHBondContact O-N 3.38Å; N490-L493 VanDerWaalsContact O-N 3.14Å; N490-V494 WeakPolarHBondContact O-CG2 3.5Å; N490-V494 PolarHBondContact O-N 2.83Å
491	A	71	Confident	75.1	Confident	58 Å²	58	47.1 Å²	47.1	48%	0.479	23%	0.234	S	C	.	.	H	α-helix	trans	-64.1	-38.4	-179.6	0	0	0	0	0	113.1	E487	E487-A491 WeakPolarHBondContact O-CB 3.43Å; E487-A491 PolarHBondContact O-N 2.91Å
492	L	69.3	Low	76.3	Confident	13 Å²	13	50.3 Å²	50.3	7%	0.068	24%	0.243	C	C	.	.	H	α-helix	trans	-60.6	-46.2	171.3	167.7	146.7	0	0	0	111.4	R288 A488 N490 V494 D495 E496	R288-L492 HydrophobicContact CB-CD1 3.62Å; R288-L492 HydrophobicContact CG-CD1 3.5Å; R288-L492 VanDerWaalsContact CG-CD1 3.5Å; A488-L492 VanDerWaalsContact O-CB 3.27Å; A488-L492 WeakPolarHBondContact O-CB 3.31Å; A488-L492 PolarHBondContact O-N 3.13Å; N490-L492 PolarHBondContact O-N 3.48Å; L492-V494 VanDerWaalsContact C-N 3.34Å; L492-V494 PolarHBondContact O-N 2.62Å; L492-D495 PolarHBondContact O-N 3.24Å; L492-E496 WeakPolarHBondContact CD1-OE1 3.46Å; L492-E496 HydrophobicContact CD2-CG 4.32Å; L492-E496 WeakPolarHBondContact CD2-OE2 3.42Å; L492-E496 HydrophobicContact CG-CG 4.22Å; L492-E496 WeakPolarHBondContact CG-OE1 3.4Å; L492-E496 WeakPolarHBondContact O-CB 3.47Å; L492-E496 WeakPolarHBondContact O-CG 3.4Å; L492-E496 PolarHBondContact O-N 3.44Å
493	L	75.3	Confident	77.5	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-74.8	-25.9	-170.4	-169.2	60.3	0	0	0	112.5	F343 L437 I438 R441 I489 N490 L497	F343-L493 HydrophobicContact CE2-CB 4.49Å; F343-L493 HydrophobicContact CE2-CD2 3.57Å; F343-L493 HydrophobicContact CE2-CG 3.86Å; F343-L493 HydrophobicContact CZ-CD2 4.21Å; L437-L493 HydrophobicContact CB-CD1 3.76Å; L437-L493 HydrophobicContact CB-CD2 4.34Å; L437-L493 HydrophobicContact CD1-CD1 4.41Å; I438-L493 HydrophobicContact CB-CD2 4.48Å; I438-L493 HydrophobicContact CG1-CD2 3.96Å; R441-L493 HydrophobicContact CB-CD2 3.99Å; I489-L493 WeakPolarHBondContact O-CB 3.49Å; I489-L493 PolarHBondContact O-N 3.15Å; N490-L493 PolarHBondContact O-N 3.38Å; N490-L493 VanDerWaalsContact O-N 3.14Å; L493-L497 HydrophobicContact CD1-CD1 4.27Å; L493-L497 HydrophobicContact CD1-CG 4Å; L493-L497 HydrophobicContact CG-CD1 3.94Å; L493-L497 HydrophobicContact CG-CG 4.15Å; L493-L497 WeakPolarHBondContact O-CB 3.48Å; L493-L497 WeakPolarHBondContact O-CG 3.34Å; L493-L497 PolarHBondContact O-N 2.96Å
494	V	76.9	Confident	78.4	Confident	20 Å²	20	48.8 Å²	48.8	12%	0.121	25%	0.245	C	C	.	.	H	α-helix	trans	-63.8	-53	169.3	171.6	0	0	0	0	111	V342 F343 N490 L492 L497 Q498	V342-V494 HydrophobicContact CB-CG1 4.5Å; V342-V494 HydrophobicContact CG1-CG1 3.68Å; F343-V494 HydrophobicContact CB-CG2 3.8Å; F343-V494 HydrophobicContact CD2-CG2 4.21Å; N490-V494 WeakPolarHBondContact O-CG2 3.5Å; N490-V494 PolarHBondContact O-N 2.83Å; L492-V494 VanDerWaalsContact C-N 3.34Å; L492-V494 PolarHBondContact O-N 2.62Å; V494-L497 PolarHBondContact O-N 3.44Å; V494-Q498 WeakPolarHBondContact O-CB 3.4Å; V494-Q498 WeakPolarHBondContact O-CG 3.37Å; V494-Q498 PolarHBondContact O-N 2.92Å
495	D	75.1	Confident	79.6	Confident	66 Å²	66	49.3 Å²	49.3	35%	0.353	25%	0.248	S	C	.	.	H	α-helix	trans	-64.5	-41.9	-179.8	-178.8	39.2	0	0	0	112.4	L492 R499	L492-D495 PolarHBondContact O-N 3.24Å; D495-R499 WeakPolarHBondContact O-CG 3.4Å; D495-R499 PolarHBondContact O-N 3.1Å; D495-R499 IonicContact OD1-CZ 2.7Å; D495-R499 IonicContact OD1-NE 3.51Å; D495-R499 PolarHBondContact OD1-NE 2.99Å; D495-R499 IonicContact OD1-NH2 2.65Å; D495-R499 PolarHBondContact OD1-NH2 3.05Å; D495-R499 IonicContact OD2-CZ 3.26Å; D495-R499 IonicContact OD2-NE 2.76Å; D495-R499 IonicContact OD2-NH2 3.83Å; D495-R499 PolarHBondContact OD2-NH2 3.06Å
496	E	78.6	Confident	80.8	Confident	73 Å²	73	49.4 Å²	49.4	34%	0.341	26%	0.255	S	S	.	.	H	α-helix	trans	-67	-41.3	175.7	-74	-175.3	-173.8	0	0	112.4	L492 F500	L492-E496 WeakPolarHBondContact CD1-OE1 3.46Å; L492-E496 HydrophobicContact CD2-CG 4.32Å; L492-E496 WeakPolarHBondContact CD2-OE2 3.42Å; L492-E496 HydrophobicContact CG-CG 4.22Å; L492-E496 WeakPolarHBondContact CG-OE1 3.4Å; L492-E496 WeakPolarHBondContact O-CB 3.47Å; L492-E496 WeakPolarHBondContact O-CG 3.4Å; L492-E496 PolarHBondContact O-N 3.44Å; E496-F500 WeakPolarHBondContact O-CB 3.22Å; E496-F500 PolarHBondContact O-N 3.35Å
497	L	80.8	Confident	81.7	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-68	-39.7	177.3	-75.8	174.9	0	0	0	112.3	F343 E346 F350 P434 I438 L493 V494 R499 F500 N501	F343-L497 HydrophobicContact CD2-CD1 4.22Å; F343-L497 HydrophobicContact CE2-CD1 3.69Å; F343-L497 HydrophobicContact CZ-CD1 4.5Å; E346-L497 HydrophobicContact CB-CB 4.13Å; E346-L497 HydrophobicContact CB-CD1 4.46Å; F350-L497 HydrophobicContact CB-CD2 4.22Å; F350-L497 HydrophobicContact CD2-CD2 3.54Å; F350-L497 HydrophobicContact CE2-CD2 4.02Å; F350-L497 HydrophobicContact CG-CD2 3.91Å; P434-L497 HydrophobicContact CB-CD2 4.09Å; I438-L497 HydrophobicContact CD1-CD1 4.16Å; I438-L497 HydrophobicContact CD1-CD2 4.15Å; I438-L497 HydrophobicContact CG1-CD1 4.17Å; L493-L497 HydrophobicContact CD1-CD1 4.27Å; L493-L497 HydrophobicContact CD1-CG 4Å; L493-L497 HydrophobicContact CG-CD1 3.94Å; L493-L497 HydrophobicContact CG-CG 4.15Å; L493-L497 WeakPolarHBondContact O-CB 3.48Å; L493-L497 WeakPolarHBondContact O-CG 3.34Å; L493-L497 PolarHBondContact O-N 2.96Å; V494-L497 PolarHBondContact O-N 3.44Å; L497-R499 PolarHBondContact O-N 2.97Å; L497-F500 PolarHBondContact O-N 3.42Å; L497-N501 WeakPolarHBondContact O-CB 3.33Å; L497-N501 PolarHBondContact O-N 3.05Å; L497-N501 PolarHBondContact O-ND2 3.45Å
498	Q	87.6	Confident	82.7	Confident	70 Å²	70	49.1 Å²	49.1	33%	0.327	26%	0.256	S	S	.	.	H	α-helix	trans	-57.8	-51.3	177.1	-79.8	175.3	-21.1	0	0	111.5	E346 V494 F500 N501 M502	E346-Q498 HydrophobicContact CG-CG 3.71Å; E346-Q498 WeakPolarHBondContact OE1-CG 3.18Å; V494-Q498 WeakPolarHBondContact O-CB 3.4Å; V494-Q498 WeakPolarHBondContact O-CG 3.37Å; V494-Q498 PolarHBondContact O-N 2.92Å; Q498-F500 PolarHBondContact O-N 3.23Å; Q498-N501 PolarHBondContact O-N 3.22Å; Q498-M502 WeakPolarHBondContact O-CG 3.4Å; Q498-M502 PolarHBondContact O-N 3.39Å
499	R	81.8	Confident	83.8	Confident	169 Å²	169	50.4 Å²	50.4	64%	0.638	26%	0.261	S	S	*	.	H	α-helix	trans	-63.7	-41.8	178.3	-62.5	173.6	-161.7	-139.4	8.2	111.8	D495 L497 A503	D495-R499 WeakPolarHBondContact O-CG 3.4Å; D495-R499 PolarHBondContact O-N 3.1Å; D495-R499 IonicContact OD1-CZ 2.7Å; D495-R499 IonicContact OD1-NE 3.51Å; D495-R499 PolarHBondContact OD1-NE 2.99Å; D495-R499 IonicContact OD1-NH2 2.65Å; D495-R499 PolarHBondContact OD1-NH2 3.05Å; D495-R499 IonicContact OD2-CZ 3.26Å; D495-R499 IonicContact OD2-NE 2.76Å; D495-R499 IonicContact OD2-NH2 3.83Å; D495-R499 PolarHBondContact OD2-NH2 3.06Å; L497-R499 PolarHBondContact O-N 2.97Å; R499-A503 WeakPolarHBondContact O-CB 3.24Å; R499-A503 PolarHBondContact O-N 2.97Å; R499-A503 VanDerWaalsContact O-N 3.09Å
500	F	87.6	Confident	84.9	Confident	30 Å²	30	54.3 Å²	54.3	13%	0.132	28%	0.282	C	S	.	.	H	α-helix	trans	-64.7	-45.5	177.6	-177.3	-86	0	0	0	112	F350 L427 M430 F431 P434 E496 L497 Q498 A503 A504	F350-F500 AromaticContact CD2-CD1 3.78Å; F350-F500 HydrophobicContact CD2-CD1 3.78Å; F350-F500 AromaticContact CD2-CE1 3.81Å; F350-F500 HydrophobicContact CD2-CE1 3.81Å; F350-F500 AromaticContact CE2-CD1 3.82Å; F350-F500 HydrophobicContact CE2-CD1 3.82Å; F350-F500 AromaticContact CE2-CE1 3.55Å; F350-F500 HydrophobicContact CE2-CE1 3.55Å; F350-F500 HydrophobicContact CE2-CZ 4.29Å; L427-F500 HydrophobicContact CD1-CZ 4.43Å; M430-F500 HydrophobicContact CB-CE2 3.97Å; M430-F500 HydrophobicContact CB-CZ 4.32Å; F431-F500 AromaticContact CD1-CE1 3.74Å; F431-F500 HydrophobicContact CD1-CE1 3.74Å; F431-F500 HydrophobicContact CD1-CZ 4.06Å; F431-F500 HydrophobicContact CD2-CZ 4.29Å; F431-F500 AromaticContact CE1-CE1 3.61Å; F431-F500 HydrophobicContact CE1-CE1 3.61Å; F431-F500 HydrophobicContact CE1-CZ 4.21Å; F431-F500 HydrophobicContact CE2-CZ 4.45Å; F431-F500 HydrophobicContact CG-CE1 4.24Å; F431-F500 HydrophobicContact CG-CZ 4.08Å; F431-F500 HydrophobicContact CZ-CE1 4.02Å; F431-F500 HydrophobicContact CZ-CZ 4.39Å; P434-F500 HydrophobicContact CG-CD2 4.19Å; P434-F500 HydrophobicContact CG-CE2 4.21Å; P434-F500 HydrophobicContact CG-CG 4.49Å; E496-F500 WeakPolarHBondContact O-CB 3.22Å; E496-F500 PolarHBondContact O-N 3.35Å; L497-F500 PolarHBondContact O-N 3.42Å; Q498-F500 PolarHBondContact O-N 3.23Å; F500-A503 PolarHBondContact O-N 3.43Å; F500-A504 HydrophobicContact CD1-CB 4.41Å; F500-A504 HydrophobicContact CE1-CB 4.12Å; F500-A504 VanDerWaalsContact O-CB 3.23Å; F500-A504 WeakPolarHBondContact O-CB 3.42Å; F500-A504 PolarHBondContact O-N 3.37Å
501	N	90	Very high	85.7	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.011	28%	0.278	C	S	.	.	H	α-helix	trans	-62.1	-44.3	179.7	-76.7	-18.7	0	0	0	111.2	E346 L349 F350 L353 L497 Q498 Y505	E346-N501 PolarHBondContact O-ND2 3.25Å; E346-N501 PolarHBondContact OE2-ND2 3.13Å; L349-N501 HydrophobicContact CD2-CB 3.84Å; L349-N501 HydrophobicContact CG-CB 4.15Å; F350-N501 VanDerWaalsContact CA-OD1 3.24Å; F350-N501 WeakPolarHBondContact CA-OD1 3.32Å; F350-N501 WeakPolarHBondContact CB-OD1 3.18Å; L353-N501 HydrophobicContact CD1-CB 3.99Å; L353-N501 WeakPolarHBondContact CD1-O 3.47Å; L497-N501 WeakPolarHBondContact O-CB 3.33Å; L497-N501 PolarHBondContact O-N 3.05Å; L497-N501 PolarHBondContact O-ND2 3.45Å; Q498-N501 PolarHBondContact O-N 3.22Å; N501-Y505 VanDerWaalsContact O-CB 3.24Å; N501-Y505 WeakPolarHBondContact O-CB 3.48Å; N501-Y505 PolarHBondContact O-N 3.34Å
502	M	90.7	Very high	86.6	Confident	147 Å²	147	53.8 Å²	53.8	72%	0.724	27%	0.274	S	S	*	.	H	α-helix	trans	-61.3	-46.5	174.3	-71.6	-167.7	76	0	0	112.3	Q498 Y505 A506	Q498-M502 WeakPolarHBondContact O-CG 3.4Å; Q498-M502 PolarHBondContact O-N 3.39Å; M502-Y505 PolarHBondContact O-N 3.42Å; M502-A506 WeakPolarHBondContact O-CB 3.42Å; M502-A506 PolarHBondContact O-N 2.89Å
503	A	90.2	Very high	87.6	Confident	51 Å²	51	58.3 Å²	58.3	42%	0.421	30%	0.298	S	S	.	.	H	α-helix	trans	-64.8	-44.3	178.8	0	0	0	0	0	112.3	R499 F500 A506 I507	R499-A503 WeakPolarHBondContact O-CB 3.24Å; R499-A503 PolarHBondContact O-N 2.97Å; R499-A503 VanDerWaalsContact O-N 3.09Å; F500-A503 PolarHBondContact O-N 3.43Å; A503-A506 PolarHBondContact O-N 2.91Å; A503-I507 VanDerWaalsContact O-CG1 3.3Å; A503-I507 WeakPolarHBondContact O-CG1 3.5Å; A503-I507 PolarHBondContact O-N 3.43Å
504	A	90.9	Very high	88.4	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.008	31%	0.31	C	S	.	.	H	α-helix	trans	-64.2	-39.8	177.6	0	0	0	0	0	112.1	L353 L427 F431 F500 L508	L353-A504 HydrophobicContact CD1-CB 4.24Å; L427-A504 HydrophobicContact CD1-CB 3.94Å; L427-A504 HydrophobicContact CD2-CB 4.23Å; F431-A504 HydrophobicContact CZ-CB 4.3Å; F500-A504 HydrophobicContact CD1-CB 4.41Å; F500-A504 HydrophobicContact CE1-CB 4.12Å; F500-A504 VanDerWaalsContact O-CB 3.23Å; F500-A504 WeakPolarHBondContact O-CB 3.42Å; F500-A504 PolarHBondContact O-N 3.37Å; A504-L508 WeakPolarHBondContact O-CB 3.49Å; A504-L508 PolarHBondContact O-N 2.89Å
505	Y	93.6	Very high	88.9	Confident	144 Å²	144	60.4 Å²	60.4	57%	0.565	31%	0.311	S	S	*	.	H	α-helix	trans	-64.7	-43	173.9	-178.9	-93.7	0	0	0	112.1	L353 N501 M502 L508 T509	L353-Y505 HydrophobicContact CD2-CD2 4.15Å; N501-Y505 VanDerWaalsContact O-CB 3.24Å; N501-Y505 WeakPolarHBondContact O-CB 3.48Å; N501-Y505 PolarHBondContact O-N 3.34Å; M502-Y505 PolarHBondContact O-N 3.42Å; Y505-L508 PolarHBondContact O-N 3.23Å; Y505-T509 WeakPolarHBondContact O-CB 3.44Å; Y505-T509 PolarHBondContact O-N 3.22Å; Y505-T509 PolarHBondContact O-OG1 3.25Å
506	A	94.6	Very high	89.6	Confident	46 Å²	46	61.6 Å²	61.6	38%	0.38	32%	0.32	S	S	.	.	H	α-helix	trans	-63.7	-45.4	177	0	0	0	0	0	112.1	M502 A503 T509 N510	M502-A506 WeakPolarHBondContact O-CB 3.42Å; M502-A506 PolarHBondContact O-N 2.89Å; A503-A506 PolarHBondContact O-N 2.91Å; A506-T509 PolarHBondContact O-N 3.13Å; A506-N510 WeakPolarHBondContact O-CB 3.44Å; A506-N510 VanDerWaalsContact O-CG 3.28Å; A506-N510 PolarHBondContact O-N 3.06Å
507	I	93.4	Very high	90.1	Very high	60 Å²	60	61.2 Å²	61.2	31%	0.308	33%	0.329	S	S	.	.	H	α-helix	trans	-62.2	-47.4	175.8	-66.5	162.6	0	0	0	110.5	P423 L427 A503 T509 N510 C511	P423-I507 HydrophobicContact CB-CG2 4.31Å; L427-I507 HydrophobicContact CB-CG2 4.49Å; L427-I507 HydrophobicContact CD1-CD1 4.26Å; L427-I507 HydrophobicContact CD2-CB 3.97Å; L427-I507 HydrophobicContact CD2-CG2 3.76Å; A503-I507 VanDerWaalsContact O-CG1 3.3Å; A503-I507 WeakPolarHBondContact O-CG1 3.5Å; A503-I507 PolarHBondContact O-N 3.43Å; I507-T509 VanDerWaalsContact C-N 3.32Å; I507-T509 PolarHBondContact O-N 2.91Å; I507-N510 PolarHBondContact O-N 3.17Å; I507-C511 PolarHBondContact O-N 3.46Å; I507-C511 PolarHBondContact O-SG 3.18Å
508	L	92.1	Very high	90.4	Very high	23 Å²	23	62.2 Å²	62.2	12%	0.12	34%	0.335	C	S	.	.	H	α-helix	trans	-58.8	-43.3	177.9	177.7	61.5	0	0	0	111.8	L353 A356 V357 L360 L424 A504 Y505 C511 V512	L353-L508 HydrophobicContact CD2-CD2 4.07Å; A356-L508 HydrophobicContact CB-CD2 3.82Å; V357-L508 HydrophobicContact CG2-CB 4.38Å; V357-L508 HydrophobicContact CG2-CD1 4.11Å; V357-L508 HydrophobicContact CG2-CD2 4.35Å; L360-L508 HydrophobicContact CD2-CD1 3.61Å; L424-L508 HydrophobicContact CD2-CD1 4.03Å; A504-L508 WeakPolarHBondContact O-CB 3.49Å; A504-L508 PolarHBondContact O-N 2.89Å; Y505-L508 PolarHBondContact O-N 3.23Å; L508-C511 PolarHBondContact O-N 2.69Å; L508-V512 WeakPolarHBondContact O-CG2 3.28Å; L508-V512 PolarHBondContact O-N 3.4Å
509	T	92.4	Very high	90.3	Very high	50 Å²	50	61 Å²	61	31%	0.307	33%	0.33	S	S	.	.	H	α-helix	trans	-63.3	-46.5	177.1	-57.6	0	0	0	0	111.2	Y505 A506 I507 C511 V512 L513	Y505-T509 WeakPolarHBondContact O-CB 3.44Å; Y505-T509 PolarHBondContact O-N 3.22Å; Y505-T509 PolarHBondContact O-OG1 3.25Å; A506-T509 PolarHBondContact O-N 3.13Å; I507-T509 VanDerWaalsContact C-N 3.32Å; I507-T509 PolarHBondContact O-N 2.91Å; T509-C511 VanDerWaalsContact C-N 3.32Å; T509-C511 PolarHBondContact O-N 3.04Å; T509-V512 PolarHBondContact O-N 3.03Å; T509-L513 HydrophobicContact CG2-CD1 4.27Å; T509-L513 WeakPolarHBondContact O-CG 3.41Å; T509-L513 PolarHBondContact O-N 3.42Å
510	N	94.5	Very high	90.3	Very high	96 Å²	96	62.4 Å²	62.4	51%	0.513	34%	0.335	S	S	.	.	H	α-helix	trans	-62	-38.2	176.5	-71.5	-14.2	0	0	0	112.2	A506 I507 L513 C514	A506-N510 WeakPolarHBondContact O-CB 3.44Å; A506-N510 VanDerWaalsContact O-CG 3.28Å; A506-N510 PolarHBondContact O-N 3.06Å; I507-N510 PolarHBondContact O-N 3.17Å; N510-L513 PolarHBondContact O-N 2.69Å; N510-C514 WeakPolarHBondContact O-CB 3.28Å; N510-C514 PolarHBondContact O-N 3.24Å; N510-C514 PolarHBondContact O-SG 3.4Å
511	C	92.6	Very high	90	Very high	3 Å²	3	62.8 Å²	62.8	2%	0.02	35%	0.348	C	S	.	.	H	α-helix	trans	-63.3	-39.9	175	-66.7	0	0	0	0	112.1	L360 V420 L424 I507 L508 T509 L515	L360-C511 HydrophobicContact CD2-CB 4.5Å; V420-C511 HydrophobicContact CG1-CB 4.29Å; L424-C511 HydrophobicContact CD1-CB 4.23Å; L424-C511 HydrophobicContact CD2-CB 3.93Å; L424-C511 HydrophobicContact CG-CB 3.99Å; I507-C511 PolarHBondContact O-N 3.46Å; I507-C511 PolarHBondContact O-SG 3.18Å; L508-C511 PolarHBondContact O-N 2.69Å; T509-C511 VanDerWaalsContact C-N 3.32Å; T509-C511 PolarHBondContact O-N 3.04Å; C511-L515 VanDerWaalsContact O-CB 3.26Å; C511-L515 WeakPolarHBondContact O-CB 3.38Å; C511-L515 PolarHBondContact O-N 2.85Å
512	V	90.6	Very high	89.5	Confident	64 Å²	64	64 Å²	64	39%	0.388	35%	0.354	S	S	.	.	H	α-helix	trans	-67.8	-40.8	175.2	172.4	0	0	0	0	111.6	L360 L508 T509 L515 V516	L360-V512 HydrophobicContact CD2-CG2 3.68Å; L508-V512 WeakPolarHBondContact O-CG2 3.28Å; L508-V512 PolarHBondContact O-N 3.4Å; T509-V512 PolarHBondContact O-N 3.03Å; V512-L515 WeakPolarHBondContact O-CB 3.33Å; V512-L515 PolarHBondContact O-N 3.44Å; V512-V516 WeakPolarHBondContact O-CG2 3.46Å; V512-V516 PolarHBondContact O-N 2.82Å
513	L	90.5	Very high	88.8	Confident	107 Å²	107	62.6 Å²	62.6	56%	0.56	35%	0.347	S	S	*	.	H	α-helix	trans	-64.1	-44	175.4	-68.8	172	0	0	0	111.7	T509 N510 V516 A517	T509-L513 HydrophobicContact CG2-CD1 4.27Å; T509-L513 WeakPolarHBondContact O-CG 3.41Å; T509-L513 PolarHBondContact O-N 3.42Å; N510-L513 PolarHBondContact O-N 2.69Å; L513-V516 PolarHBondContact O-N 2.89Å; L513-A517 WeakPolarHBondContact O-CB 3.26Å; L513-A517 PolarHBondContact O-N 3.2Å
514	C	91.6	Very high	88.1	Confident	39 Å²	39	61.8 Å²	61.8	26%	0.264	34%	0.344	S	S	.	.	H	α-helix	trans	-62	-44.6	174.8	-68.2	0	0	0	0	111.6	L419 V420 N510 V516 A517 L518	L419-C514 HydrophobicContact CB-CB 4.2Å; V420-C514 HydrophobicContact CG2-CB 3.91Å; N510-C514 WeakPolarHBondContact O-CB 3.28Å; N510-C514 PolarHBondContact O-N 3.24Å; N510-C514 PolarHBondContact O-SG 3.4Å; C514-V516 PolarHBondContact O-N 3.18Å; C514-A517 PolarHBondContact O-N 3.06Å; C514-L518 WeakPolarHBondContact O-CB 3.46Å; C514-L518 VanDerWaalsContact O-CG 3.25Å; C514-L518 WeakPolarHBondContact O-CG 3.5Å; C514-L518 PolarHBondContact O-N 2.86Å
515	L	88.6	Confident	87.2	Confident	27 Å²	27	65.1 Å²	65.1	14%	0.141	37%	0.366	C	S	.	.	H	α-helix	trans	-55.2	-50.1	175.1	172.4	61.7	0	0	0	111.8	L360 V364 M416 V420 C511 V512 L518 L519	L360-L515 HydrophobicContact CD1-CD2 4.04Å; V364-L515 HydrophobicContact CG2-CD1 4.26Å; V364-L515 HydrophobicContact CG2-CD2 4.05Å; M416-L515 HydrophobicContact CE-CD1 3.39Å; M416-L515 HydrophobicContact SD-CD1 3.61Å; V420-L515 HydrophobicContact CG2-CB 4.43Å; C511-L515 VanDerWaalsContact O-CB 3.26Å; C511-L515 WeakPolarHBondContact O-CB 3.38Å; C511-L515 PolarHBondContact O-N 2.85Å; V512-L515 WeakPolarHBondContact O-CB 3.33Å; V512-L515 PolarHBondContact O-N 3.44Å; L515-L518 PolarHBondContact O-N 3.47Å; L515-L519 HydrophobicContact CD1-CD1 3.78Å; L515-L519 HydrophobicContact CD1-CG 4.17Å; L515-L519 HydrophobicContact CG-CD1 4.04Å; L515-L519 WeakPolarHBondContact O-CB 3.12Å; L515-L519 VanDerWaalsContact O-CG 3.23Å; L515-L519 WeakPolarHBondContact O-CG 3.38Å; L515-L519 PolarHBondContact O-N 3.2Å
516	V	88.3	Confident	85.9	Confident	91 Å²	91	61.6 Å²	61.6	55%	0.552	37%	0.367	S	S	*	.	H	α-helix	trans	-64.6	-40.9	178.8	172.8	0	0	0	0	111.7	V512 L513 C514 R520	V512-V516 WeakPolarHBondContact O-CG2 3.46Å; V512-V516 PolarHBondContact O-N 2.82Å; L513-V516 PolarHBondContact O-N 2.89Å; C514-V516 PolarHBondContact O-N 3.18Å; V516-R520 WeakPolarHBondContact O-CB 3.34Å; V516-R520 PolarHBondContact O-N 2.9Å
517	A	89	Confident	84.5	Confident	64 Å²	64	65.7 Å²	65.7	53%	0.529	38%	0.382	S	S	.	.	H	α-helix	trans	-64.9	-43.5	178	0	0	0	0	0	112.5	L513 C514 R520 G521	L513-A517 WeakPolarHBondContact O-CB 3.26Å; L513-A517 PolarHBondContact O-N 3.2Å; C514-A517 PolarHBondContact O-N 3.06Å; A517-R520 PolarHBondContact O-N 2.86Å; A517-G521 PolarHBondContact O-N 3.19Å
518	L	88.1	Confident	82.9	Confident	23 Å²	23	69.1 Å²	69.1	12%	0.12	41%	0.405	C	S	.	.	H	α-helix	trans	-65.8	-43.4	177.5	-70.6	172.2	0	0	0	111.7	F412 R415 M416 L419 V420 C514 L515 R520 G521 L522	F412-L518 HydrophobicContact CD2-CB 3.98Å; F412-L518 WeakPolarHBondContact CD2-O 3.27Å; F412-L518 HydrophobicContact CE2-CB 3.81Å; R415-L518 HydrophobicContact CB-CD1 4.34Å; R415-L518 HydrophobicContact CB-CD2 3.66Å; M416-L518 HydrophobicContact CB-CD1 4.25Å; M416-L518 HydrophobicContact SD-CD1 4.11Å; L419-L518 HydrophobicContact CD1-CD1 4.43Å; V420-L518 HydrophobicContact CG2-CD1 4.24Å; C514-L518 WeakPolarHBondContact O-CB 3.46Å; C514-L518 VanDerWaalsContact O-CG 3.25Å; C514-L518 WeakPolarHBondContact O-CG 3.5Å; C514-L518 PolarHBondContact O-N 2.86Å; L515-L518 PolarHBondContact O-N 3.47Å; L518-R520 PolarHBondContact O-N 2.86Å; L518-G521 PolarHBondContact O-N 3.32Å; L518-L522 PolarHBondContact O-N 3.18Å
519	L	84.8	Confident	81.1	Confident	45 Å²	45	71.1 Å²	71.1	24%	0.236	43%	0.432	C	S	.	.	H	α-helix	trans	-61.6	-43	175.3	-71.8	169.9	0	0	0	111.6	Y367 F412 L515 G521 L522 M523	Y367-L519 HydrophobicContact CE1-CD2 3.61Å; Y367-L519 WeakPolarHBondContact OH-CD2 3.41Å; F412-L519 HydrophobicContact CE2-CD2 4.12Å; F412-L519 HydrophobicContact CE2-CG 4.49Å; F412-L519 HydrophobicContact CZ-CD2 3.91Å; L515-L519 HydrophobicContact CD1-CD1 3.78Å; L515-L519 HydrophobicContact CD1-CG 4.17Å; L515-L519 HydrophobicContact CG-CD1 4.04Å; L515-L519 WeakPolarHBondContact O-CB 3.12Å; L515-L519 VanDerWaalsContact O-CG 3.23Å; L515-L519 WeakPolarHBondContact O-CG 3.38Å; L515-L519 PolarHBondContact O-N 3.2Å; L519-G521 VanDerWaalsContact C-N 3.32Å; L519-G521 PolarHBondContact O-N 2.89Å; L519-L522 PolarHBondContact O-N 2.72Å; L519-M523 WeakPolarHBondContact O-CG 3.45Å; L519-M523 PolarHBondContact O-N 3.27Å
520	R	81.9	Confident	79.3	Confident	197 Å²	197	71.7 Å²	71.7	74%	0.743	44%	0.441	S	S	*	.	H	α-helix	trans	-62.1	-39.2	173.9	-176.5	177.6	175.1	124.3	1.3	112	V516 A517 L518 G524	V516-R520 WeakPolarHBondContact O-CB 3.34Å; V516-R520 PolarHBondContact O-N 2.9Å; A517-R520 PolarHBondContact O-N 2.86Å; L518-R520 PolarHBondContact O-N 2.86Å; R520-G524 PolarHBondContact O-N 3.03Å
521	G	82.5	Confident	77.2	Confident	38 Å²	38	71.3 Å²	71.3	39%	0.392	44%	0.444	S	S	.	.	H	α-helix	trans	-61.5	-48.5	174.3	0	0	0	0	0	112.6	A517 L518 L519 M523 G524 C525	A517-G521 PolarHBondContact O-N 3.19Å; L518-G521 PolarHBondContact O-N 3.32Å; L519-G521 VanDerWaalsContact C-N 3.32Å; L519-G521 PolarHBondContact O-N 2.89Å; G521-M523 PolarHBondContact O-N 2.76Å; G521-G524 PolarHBondContact O-N 3.18Å; G521-C525 PolarHBondContact O-N 3.41Å; G521-C525 PolarHBondContact O-SG 3.47Å; G521-C525 VanDerWaalsContact O-SG 3.42Å
522	L	78.8	Confident	75.2	Confident	29 Å²	29	73.8 Å²	73.8	15%	0.152	46%	0.464	C	S	.	.	H	α-helix	trans	-60.7	-45.3	178.3	-176.8	64.6	0	0	0	112	F412 L518 L519 G524 C525 A526	F412-L522 HydrophobicContact CB-CD1 4.14Å; F412-L522 HydrophobicContact CD1-CD2 3.91Å; F412-L522 HydrophobicContact CD2-CB 3.81Å; F412-L522 HydrophobicContact CD2-CD2 4.05Å; F412-L522 HydrophobicContact CD2-CG 4.4Å; F412-L522 HydrophobicContact CE1-CD2 3.95Å; F412-L522 HydrophobicContact CE2-CB 4.19Å; F412-L522 HydrophobicContact CE2-CD2 4.08Å; F412-L522 HydrophobicContact CG-CB 4.25Å; F412-L522 HydrophobicContact CG-CD1 4.27Å; F412-L522 HydrophobicContact CG-CD2 3.95Å; F412-L522 HydrophobicContact CG-CG 4.39Å; F412-L522 HydrophobicContact CZ-CD2 4.03Å; L518-L522 PolarHBondContact O-N 3.18Å; L519-L522 PolarHBondContact O-N 2.72Å; L522-G524 VanDerWaalsContact C-N 3.33Å; L522-G524 PolarHBondContact O-N 3.39Å; L522-C525 PolarHBondContact O-N 2.64Å; L522-A526 PolarHBondContact O-N 2.91Å
523	M	76.1	Confident	73.2	Confident	117 Å²	117	76 Å²	76	58%	0.576	48%	0.478	S	S	*	.	H	α-helix	trans	-62.3	-38.7	174.7	-69.5	-174.3	-66	0	0	112.3	L519 G521 A526 L527	L519-M523 WeakPolarHBondContact O-CG 3.45Å; L519-M523 PolarHBondContact O-N 3.27Å; G521-M523 PolarHBondContact O-N 2.76Å; M523-A526 PolarHBondContact O-N 3Å; M523-L527 WeakPolarHBondContact O-CG 3.42Å; M523-L527 PolarHBondContact O-N 2.98Å
524	G	74.8	Confident	71.2	Confident	33 Å²	33	79.6 Å²	79.6	34%	0.34	49%	0.492	S	S	.	.	H	α-helix	trans	-61.2	-46.5	174.4	0	0	0	0	0	112.7	R520 G521 L522 A526 L527 V528	R520-G524 PolarHBondContact O-N 3.03Å; G521-G524 PolarHBondContact O-N 3.18Å; L522-G524 VanDerWaalsContact C-N 3.33Å; L522-G524 PolarHBondContact O-N 3.39Å; G524-A526 VanDerWaalsContact C-N 3.34Å; G524-A526 PolarHBondContact O-N 2.76Å; G524-L527 PolarHBondContact O-N 2.66Å; G524-V528 WeakPolarHBondContact O-CG2 3.46Å; G524-V528 PolarHBondContact O-N 3.42Å; G524-V528 VanDerWaalsContact O-N 3.15Å
525	C	71.6	Confident	69	Low	72 Å²	72	85.2 Å²	85.2	49%	0.486	51%	0.514	S	S	.	.	H	α-helix	trans	-60.9	-40.8	175.7	-67.6	0	0	0	0	112.4	P408 G521 L522 G529	P408-C525 HydrophobicContact CB-CB 4.04Å; G521-C525 PolarHBondContact O-N 3.41Å; G521-C525 PolarHBondContact O-SG 3.47Å; G521-C525 VanDerWaalsContact O-SG 3.42Å; L522-C525 PolarHBondContact O-N 2.64Å; C525-G529 PolarHBondContact O-N 3.15Å
526	A	66.9	Low	67	Low	70 Å²	70	88.2 Å²	88.2	58%	0.579	53%	0.53	S	S	*	.	H	α-helix	trans	-64.8	-40.4	177.7	0	0	0	0	0	112.5	L522 M523 G524 G529	L522-A526 PolarHBondContact O-N 2.91Å; M523-A526 PolarHBondContact O-N 3Å; G524-A526 VanDerWaalsContact C-N 3.34Å; G524-A526 PolarHBondContact O-N 2.76Å; A526-G529 PolarHBondContact O-N 3.45Å
527	L	64.9	Low	65.1	Low	132 Å²	132	88 Å²	88	69%	0.691	53%	0.531	S	S	*	.	H	α-helix	trans	-69.1	-34.2	179.1	-73.1	167.1	0	0	0	113.3	M523 G524 G529 A530	M523-L527 WeakPolarHBondContact O-CG 3.42Å; M523-L527 PolarHBondContact O-N 2.98Å; G524-L527 PolarHBondContact O-N 2.66Å; L527-G529 PolarHBondContact O-N 3.03Å; L527-A530 PolarHBondContact O-N 3.05Å
528	V	60.6	Low	63.3	Low	131 Å²	131	90.1 Å²	90.1	79%	0.794	54%	0.538	S	S	*	.	H	α-helix	trans	-71.1	-20.9	177.9	172.6	0	0	0	0	112.4	G524	G524-V528 WeakPolarHBondContact O-CG2 3.46Å; G524-V528 PolarHBondContact O-N 3.42Å; G524-V528 VanDerWaalsContact O-N 3.15Å
529	G	55.1	Low	61.4	Low	66 Å²	66	93.4 Å²	93.4	68%	0.68	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-8.8	175.6	0	0	0	0	0	115.2	C525 A526 L527	C525-G529 PolarHBondContact O-N 3.15Å; A526-G529 PolarHBondContact O-N 3.45Å; L527-G529 PolarHBondContact O-N 3.03Å
530	A	52.9	Low	59.8	Low	61 Å²	61	99.9 Å²	99.9	50%	0.504	60%	0.595	S	S	.	*	S	Bend	trans	-95	132.1	-178.3	0	0	0	0	0	111.5	L527	L527-A530 PolarHBondContact O-N 3.05Å
531	P	51.4	Low	58.6	Low	88 Å²	88	94 Å²	94	57%	0.571	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-63.4	149.3	167.7	28.8	-34	0	0	0	109.9	V533	P531-V533 PolarHBondContact O-N 3.31Å
532	A	50.1	Low	57.6	Low	55 Å²	55	96.2 Å²	96.2	46%	0.455	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-60.6	130.5	174	0	0	0	0	0	109.4	H534 Q535	A532-H534 PolarHBondContact O-N 2.98Å; A532-Q535 WeakPolarHBondContact O-CB 3.4Å; A532-Q535 PolarHBondContact O-N 3.46Å
533	V	48.8	Very low	56.3	Low	111 Å²	111	101.2 Å²	101.2	67%	0.673	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-52.6	-28.1	-175.3	-178.8	0	0	0	0	112.5	P531 Q535 L536	P531-V533 PolarHBondContact O-N 3.31Å; V533-Q535 PolarHBondContact O-N 2.99Å; V533-L536 HydrophobicContact CG1-CD1 4.4Å; V533-L536 PolarHBondContact O-N 2.98Å
534	H	47.9	Very low	55.2	Low	183 Å²	183	98 Å²	98	85%	0.847	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-68.3	-3.5	175.5	-45.3	-60.4	0	0	0	115.5	A532	A532-H534 PolarHBondContact O-N 2.98Å
535	Q	46.3	Very low	54.4	Low	156 Å²	156	102.3 Å²	102.3	73%	0.729	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-106.6	-3.5	176.4	-66.4	-175.3	-20.2	0	0	113.6	A532 V533	A532-Q535 WeakPolarHBondContact O-CB 3.4Å; A532-Q535 PolarHBondContact O-N 3.46Å; V533-Q535 PolarHBondContact O-N 2.99Å
536	L	46.3	Very low	53.7	Low	90 Å²	90	102 Å²	102	47%	0.471	61%	0.61	S	S	.	*	S	Bend	trans	-70.9	137.1	171.2	-67.7	169.2	0	0	0	109.6	I389 V533	I389-L536 HydrophobicContact CD1-CD2 4.38Å; V533-L536 HydrophobicContact CG1-CD1 4.4Å; V533-L536 PolarHBondContact O-N 2.98Å
537	P	47.9	Very low	53	Low	88 Å²	88	104.4 Å²	104.4	57%	0.571	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-58.2	146.8	172.1	-22.5	33.2	0	0	0	111.1
538	P	50.6	Low	52.7	Low	107 Å²	107	102.9 Å²	102.9	70%	0.695	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-58.8	135.6	167.6	27	-33.6	0	0	0	109.1	L540	P538-L540 PolarHBondContact O-N 2.92Å
539	P	49.7	Very low	52.4	Low	93 Å²	93	99.9 Å²	99.9	60%	0.604	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-62.1	130.5	-175.8	24.5	-33.5	0	0	0	110.7	S541	P539-S541 PolarHBondContact O-N 2.98Å; P539-S541 VanDerWaalsContact O-N 3.15Å
540	L	51.2	Low	52.3	Low	180 Å²	180	100.9 Å²	100.9	94%	0.942	58%	0.576	S	S	*	*	S	Bend	trans	-73.6	0.3	-176	-67.8	171.9	0	0	0	114.2	P538	P538-L540 PolarHBondContact O-N 2.92Å
541	S	56.7	Low	52.2	Low	75 Å²	75	102.8 Å²	102.8	52%	0.524	58%	0.575	S	S	.	*	S	Bend	trans	-138.7	158.6	-175.4	-54.8	0	0	0	0	110.5	P539 M543	P539-S541 PolarHBondContact O-N 2.98Å; P539-S541 VanDerWaalsContact O-N 3.15Å; S541-M543 PolarHBondContact O-N 3.24Å; S541-M543 VanDerWaalsContact O-N 3.08Å
542	N	60.6	Low	52.4	Low	83 Å²	83	103.3 Å²	103.3	44%	0.444	57%	0.573	S	S	.	*			trans	-57.6	115.7	172.2	177.2	2.5	0	0	0	110.1	A544 E545 V546	N542-A544 PolarHBondContact O-N 3.43Å; N542-A544 VanDerWaalsContact O-N 3.15Å; N542-A544 PolarHBondContact OD1-N 3.49Å; N542-E545 HydrophobicContact CB-CB 4.15Å; N542-E545 HydrophobicContact CB-CG 4.09Å; N542-E545 VanDerWaalsContact ND2-CD 3.32Å; N542-E545 PolarHBondContact ND2-OE1 3.01Å; N542-E545 PolarHBondContact O-N 2.89Å; N542-V546 PolarHBondContact O-N 3.12Å; N542-V546 VanDerWaalsContact O-N 3.14Å
543	M	52.4	Low	52.4	Low	135 Å²	135	106.2 Å²	106.2	67%	0.665	58%	0.578	S	S	*	*	H	α-helix	trans	-61.4	-26.9	-174.9	-164.1	164.2	68.3	0	0	112.6	S541 Q547	S541-M543 PolarHBondContact O-N 3.24Å; S541-M543 VanDerWaalsContact O-N 3.08Å; M543-Q547 WeakPolarHBondContact O-CB 3.32Å; M543-Q547 PolarHBondContact O-N 2.87Å
544	A	53.4	Low	52.3	Low	48 Å²	48	105.8 Å²	105.8	40%	0.397	57%	0.571	S	S	.	*	H	α-helix	trans	-74.1	-35.6	174.6	0	0	0	0	0	113.1	N542 N548	N542-A544 PolarHBondContact O-N 3.43Å; N542-A544 VanDerWaalsContact O-N 3.15Å; N542-A544 PolarHBondContact OD1-N 3.49Å; A544-N548 WeakPolarHBondContact O-CB 3.48Å; A544-N548 PolarHBondContact O-N 3.02Å; A544-N548 PolarHBondContact O-ND2 3.39Å
545	E	57.3	Low	52.3	Low	125 Å²	125	101 Å²	101	58%	0.584	55%	0.552	S	S	*	*	H	α-helix	trans	-68.4	-44.3	175.9	-76.3	158.2	-145.7	0	0	111	N542 N548 S549	N542-E545 HydrophobicContact CB-CB 4.15Å; N542-E545 HydrophobicContact CB-CG 4.09Å; N542-E545 VanDerWaalsContact ND2-CD 3.32Å; N542-E545 PolarHBondContact ND2-OE1 3.01Å; N542-E545 PolarHBondContact O-N 2.89Å; E545-N548 PolarHBondContact O-N 3.12Å; E545-S549 WeakPolarHBondContact O-CB 3.44Å; E545-S549 PolarHBondContact O-N 3.06Å
546	V	56.2	Low	52.6	Low	64 Å²	64	100.1 Å²	100.1	39%	0.388	55%	0.552	S	S	.	*	H	α-helix	trans	-63.6	-43.6	175.1	179.3	0	0	0	0	110.8	N542 N548 S549 I550	N542-V546 PolarHBondContact O-N 3.12Å; N542-V546 VanDerWaalsContact O-N 3.14Å; V546-N548 PolarHBondContact O-N 2.72Å; V546-S549 PolarHBondContact O-N 3.35Å; V546-I550 HydrophobicContact CG1-CD1 3.74Å; V546-I550 HydrophobicContact CG1-CG1 4.44Å; V546-I550 WeakPolarHBondContact O-CB 3.28Å; V546-I550 VanDerWaalsContact O-CG1 3.31Å; V546-I550 WeakPolarHBondContact O-CG1 3.09Å; V546-I550 PolarHBondContact O-N 2.79Å
547	Q	52.4	Low	52.5	Low	122 Å²	122	102.7 Å²	102.7	57%	0.57	57%	0.565	S	S	*	*	H	α-helix	trans	-62.1	-41.4	176.2	-177.9	175	-7.3	0	0	112.4	M543 M551	M543-Q547 WeakPolarHBondContact O-CB 3.32Å; M543-Q547 PolarHBondContact O-N 2.87Å; Q547-M551 WeakPolarHBondContact O-CB 3.17Å; Q547-M551 WeakPolarHBondContact O-CG 3.24Å; Q547-M551 PolarHBondContact O-N 3.4Å
548	N	59.9	Low	52.2	Low	99 Å²	99	102.2 Å²	102.2	53%	0.529	56%	0.561	S	S	.	*	H	α-helix	trans	-67.1	-43.6	176.7	-70.8	-18.4	0	0	0	111.7	A544 E545 V546 I550 M551 D552	A544-N548 WeakPolarHBondContact O-CB 3.48Å; A544-N548 PolarHBondContact O-N 3.02Å; A544-N548 PolarHBondContact O-ND2 3.39Å; E545-N548 PolarHBondContact O-N 3.12Å; V546-N548 PolarHBondContact O-N 2.72Å; N548-I550 PolarHBondContact O-N 3.16Å; N548-M551 WeakPolarHBondContact O-CB 3.34Å; N548-M551 PolarHBondContact O-N 3.34Å; N548-D552 PolarHBondContact O-N 3.17Å
549	S	53.8	Low	51.7	Low	69 Å²	69	107.1 Å²	107.1	48%	0.483	57%	0.572	S	S	.	*	H	α-helix	trans	-59.9	-45.2	176.5	-166.9	0	0	0	0	111.9	E545 V546 M551 D552 E553	E545-S549 WeakPolarHBondContact O-CB 3.44Å; E545-S549 PolarHBondContact O-N 3.06Å; V546-S549 PolarHBondContact O-N 3.35Å; S549-M551 VanDerWaalsContact C-N 3.35Å; S549-M551 PolarHBondContact O-N 2.74Å; S549-D552 PolarHBondContact O-N 2.58Å; S549-E553 PolarHBondContact O-N 3.38Å
550	I	51.7	Low	51.4	Low	87 Å²	87	106.8 Å²	106.8	45%	0.446	57%	0.568	S	S	.	*	H	α-helix	trans	-66.3	-37	177.3	-69	170.9	0	0	0	111.2	V546 N548 E553 L554	V546-I550 HydrophobicContact CG1-CD1 3.74Å; V546-I550 HydrophobicContact CG1-CG1 4.44Å; V546-I550 WeakPolarHBondContact O-CB 3.28Å; V546-I550 VanDerWaalsContact O-CG1 3.31Å; V546-I550 WeakPolarHBondContact O-CG1 3.09Å; V546-I550 PolarHBondContact O-N 2.79Å; N548-I550 PolarHBondContact O-N 3.16Å; I550-E553 PolarHBondContact O-N 3.1Å; I550-L554 HydrophobicContact CG2-CD1 3.75Å; I550-L554 WeakPolarHBondContact O-CB 3.24Å; I550-L554 VanDerWaalsContact O-CD1 3.26Å; I550-L554 WeakPolarHBondContact O-CD1 3.21Å; I550-L554 PolarHBondContact O-N 3.37Å
551	M	51.9	Low	51.2	Low	100 Å²	100	106.3 Å²	106.3	49%	0.493	56%	0.558	S	S	.	*	H	α-helix	trans	-64.4	-40.7	174.2	-78.2	-69.6	-61.7	0	0	112.1	Q547 N548 S549 L554 N555	Q547-M551 WeakPolarHBondContact O-CB 3.17Å; Q547-M551 WeakPolarHBondContact O-CG 3.24Å; Q547-M551 PolarHBondContact O-N 3.4Å; N548-M551 WeakPolarHBondContact O-CB 3.34Å; N548-M551 PolarHBondContact O-N 3.34Å; S549-M551 VanDerWaalsContact C-N 3.35Å; S549-M551 PolarHBondContact O-N 2.74Å; M551-L554 PolarHBondContact O-N 2.84Å; M551-N555 WeakPolarHBondContact O-CB 3.39Å; M551-N555 PolarHBondContact O-N 2.84Å; M551-N555 PolarHBondContact O-ND2 2.97Å; M551-N555 VanDerWaalsContact O-ND2 3.11Å
552	D	55.6	Low	50.3	Low	99 Å²	99	109.2 Å²	109.2	53%	0.529	57%	0.568	S	S	.	*	H	α-helix	trans	-70.5	-37.2	176.3	-79.8	-20.5	0	0	0	112.3	N548 S549 N555 N556	N548-D552 PolarHBondContact O-N 3.17Å; S549-D552 PolarHBondContact O-N 2.58Å; D552-N555 PolarHBondContact O-N 2.81Å; D552-N556 WeakPolarHBondContact O-CB 3.45Å; D552-N556 VanDerWaalsContact O-CG 3.28Å; D552-N556 PolarHBondContact O-N 2.76Å; D552-N556 PolarHBondContact O-ND2 3.15Å
553	E	49.5	Very low	49.4	Very low	117 Å²	117	110 Å²	110	55%	0.547	57%	0.572	S	S	.	*	H	α-helix	trans	-65.3	-42.2	171.4	-72.9	-172.8	125.9	0	0	112.2	S549 I550 N555 N556 L557	S549-E553 PolarHBondContact O-N 3.38Å; I550-E553 PolarHBondContact O-N 3.1Å; E553-N555 PolarHBondContact O-N 3.44Å; E553-N556 PolarHBondContact O-N 2.75Å; E553-L557 WeakPolarHBondContact O-CB 3.43Å; E553-L557 VanDerWaalsContact O-CG 3.28Å; E553-L557 WeakPolarHBondContact O-CG 3.27Å; E553-L557 PolarHBondContact O-N 2.86Å
554	L	47	Very low	48.5	Very low	101 Å²	101	106.5 Å²	106.5	53%	0.529	57%	0.565	S	S	.	*	H	α-helix	trans	-61.4	-42.2	171.6	-99	92.1	0	0	0	112.1	I550 M551 N556 L557 T558	I550-L554 HydrophobicContact CG2-CD1 3.75Å; I550-L554 WeakPolarHBondContact O-CB 3.24Å; I550-L554 VanDerWaalsContact O-CD1 3.26Å; I550-L554 WeakPolarHBondContact O-CD1 3.21Å; I550-L554 PolarHBondContact O-N 3.37Å; M551-L554 PolarHBondContact O-N 2.84Å; L554-N556 PolarHBondContact O-N 3.26Å; L554-L557 PolarHBondContact O-N 2.75Å; L554-T558 WeakPolarHBondContact O-CG2 3.34Å; L554-T558 PolarHBondContact O-N 3.06Å; L554-T558 PolarHBondContact O-OG1 2.92Å
555	N	48.5	Very low	47.9	Very low	83 Å²	83	111.1 Å²	111.1	44%	0.444	58%	0.578	S	S	.	*	H	α-helix	trans	-60.1	-35	175.6	-78.4	-35.2	0	0	0	112	M551 D552 E553 T558	M551-N555 WeakPolarHBondContact O-CB 3.39Å; M551-N555 PolarHBondContact O-N 2.84Å; M551-N555 PolarHBondContact O-ND2 2.97Å; M551-N555 VanDerWaalsContact O-ND2 3.11Å; D552-N555 PolarHBondContact O-N 2.81Å; E553-N555 PolarHBondContact O-N 3.44Å; N555-T558 PolarHBondContact O-OG1 2.95Å; N555-T558 VanDerWaalsContact O-OG1 3.06Å
556	N	51.3	Low	47.2	Very low	137 Å²	137	111 Å²	111	73%	0.733	58%	0.576	S	S	*	*	H	α-helix	trans	-80.7	-29.9	177.9	-71.6	-42.4	0	0	0	113.5	D552 E553 L554	D552-N556 WeakPolarHBondContact O-CB 3.45Å; D552-N556 VanDerWaalsContact O-CG 3.28Å; D552-N556 PolarHBondContact O-N 2.76Å; D552-N556 PolarHBondContact O-ND2 3.15Å; E553-N556 PolarHBondContact O-N 2.75Å; L554-N556 PolarHBondContact O-N 3.26Å
557	L	45.9	Very low	46.2	Very low	144 Å²	144	113.7 Å²	113.7	75%	0.754	59%	0.587	S	S	*	*	H	α-helix	trans	-80.5	-12.4	178.2	-70.9	168.4	0	0	0	113.9	E553 L554 F559	E553-L557 WeakPolarHBondContact O-CB 3.43Å; E553-L557 VanDerWaalsContact O-CG 3.28Å; E553-L557 WeakPolarHBondContact O-CG 3.27Å; E553-L557 PolarHBondContact O-N 2.86Å; L554-L557 PolarHBondContact O-N 2.75Å; L557-F559 PolarHBondContact O-N 3.01Å
558	T	40.5	Very low	45.3	Very low	79 Å²	79	114.3 Å²	114.3	49%	0.485	59%	0.592	S	S	.	*			trans	-77.9	86.7	179.2	48	0	0	0	0	113.3	L554 N555 V560	L554-T558 WeakPolarHBondContact O-CG2 3.34Å; L554-T558 PolarHBondContact O-N 3.06Å; L554-T558 PolarHBondContact O-OG1 2.92Å; N555-T558 PolarHBondContact O-OG1 2.95Å; N555-T558 VanDerWaalsContact O-OG1 3.06Å; T558-V560 PolarHBondContact O-N 3.36Å
559	F	40.4	Very low	44.4	Very low	209 Å²	209	115.6 Å²	115.6	92%	0.917	60%	0.595	S	S	*	*	S	Bend	trans	-61.2	10	172.3	-170	-104.2	0	0	0	115.2	L557	L557-F559 PolarHBondContact O-N 3.01Å
560	V	43.5	Very low	43.7	Very low	87 Å²	87	121.1 Å²	121.1	53%	0.527	61%	0.605	S	S	.	*			trans	-133.9	55.5	-173.8	-165.6	0	0	0	0	111.2	T558 D562 N563	T558-V560 PolarHBondContact O-N 3.36Å; V560-D562 VanDerWaalsContact C-N 3.32Å; V560-D562 PolarHBondContact O-N 3.31Å; V560-N563 HydrophobicContact CG1-CB 3.95Å
561	K	45.9	Very low	43	Very low	169 Å²	169	124.8 Å²	124.8	74%	0.735	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-30.3	-176.3	-146.8	160.6	-171.7	162.9	0	113.7
562	D	39.3	Very low	42.1	Very low	137 Å²	137	124.5 Å²	124.5	73%	0.733	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-12.2	-171.8	-67.8	-24.8	0	0	0	116.4	V560	V560-D562 VanDerWaalsContact C-N 3.32Å; V560-D562 PolarHBondContact O-N 3.31Å
563	N	40.3	Very low	41.1	Very low	98 Å²	98	122.7 Å²	122.7	52%	0.524	62%	0.617	S	S	.	*	T	Hydrogen-bonded Turn	trans	-113.5	-16	-176.3	-76	-48.3	0	0	0	114.8	V560 Q565 K566 L567	V560-N563 HydrophobicContact CG1-CB 3.95Å; N563-Q565 VanDerWaalsContact C-N 3.34Å; N563-Q565 PolarHBondContact O-N 2.91Å; N563-K566 PolarHBondContact O-N 3.35Å; N563-L567 PolarHBondContact O-N 3.45Å; N563-L567 VanDerWaalsContact O-N 3.14Å
564	A	35.1	Very low	40.6	Very low	63 Å²	63	124.7 Å²	124.7	52%	0.521	62%	0.623	S	S	.	*	H	α-helix	trans	-61.1	-42.7	177.9	0	0	0	0	0	112.2	L567 M568	A564-L567 PolarHBondContact O-N 3.47Å; A564-M568 PolarHBondContact O-N 3.13Å
565	Q	39.9	Very low	40.1	Very low	144 Å²	144	128 Å²	128	67%	0.673	64%	0.636	S	S	*	*	H	α-helix	trans	-62.2	-48.6	-179.2	-157.6	163.5	-2	0	0	111.6	N563 L567 M568 E569	N563-Q565 VanDerWaalsContact C-N 3.34Å; N563-Q565 PolarHBondContact O-N 2.91Å; Q565-L567 PolarHBondContact O-N 3.07Å; Q565-M568 PolarHBondContact O-N 3.16Å; Q565-E569 WeakPolarHBondContact O-CG 3.43Å; Q565-E569 PolarHBondContact O-N 3.26Å; Q565-E569 VanDerWaalsContact O-N 3.09Å
566	K	41.8	Very low	39.3	Very low	124 Å²	124	134.2 Å²	134.2	54%	0.539	65%	0.654	S	S	.	*	H	α-helix	trans	-63.7	-23	175.2	-71.3	172.4	179.8	161.8	0	114.3	N563	N563-K566 PolarHBondContact O-N 3.35Å
567	L	36.4	Very low	38.6	Very low	119 Å²	119	134.4 Å²	134.4	62%	0.623	65%	0.65	S	S	*	*	H	α-helix	trans	-84	-36.5	176.6	-162	74.3	0	0	0	111.9	N563 A564 Q565 R570 K571	N563-L567 PolarHBondContact O-N 3.45Å; N563-L567 VanDerWaalsContact O-N 3.14Å; A564-L567 PolarHBondContact O-N 3.47Å; Q565-L567 PolarHBondContact O-N 3.07Å; L567-R570 PolarHBondContact O-N 3.39Å; L567-K571 PolarHBondContact O-N 2.93Å
568	M	33.7	Very low	38.1	Very low	135 Å²	135	138.2 Å²	138.2	67%	0.665	66%	0.655	S	S	*	*	H	α-helix	trans	-73	-39.7	179	-164.9	154.6	-74.1	0	0	111.9	A564 Q565 R570 K571 V572	A564-M568 PolarHBondContact O-N 3.13Å; Q565-M568 PolarHBondContact O-N 3.16Å; M568-R570 PolarHBondContact O-N 2.95Å; M568-K571 PolarHBondContact O-N 3.04Å; M568-V572 HydrophobicContact CG-CG2 4.22Å; M568-V572 PolarHBondContact O-N 2.72Å
569	E	41.3	Very low	37.7	Very low	126 Å²	126	142.2 Å²	142.2	59%	0.589	67%	0.673	S	S	*	*	H	α-helix	trans	-55.2	-35.2	169.6	-72.2	172.3	162.5	0	0	112.3	Q565 S573	Q565-E569 WeakPolarHBondContact O-CG 3.43Å; Q565-E569 PolarHBondContact O-N 3.26Å; Q565-E569 VanDerWaalsContact O-N 3.09Å; E569-S573 WeakPolarHBondContact O-CB 3.38Å; E569-S573 PolarHBondContact O-OG 3.09Å
570	R	38.3	Very low	37.3	Very low	186 Å²	186	140 Å²	140	70%	0.702	66%	0.663	S	S	*	*	H	α-helix	trans	-79.8	-9.1	177.2	-94.8	-172.3	167.9	84.5	3.2	115.8	L567 M568	L567-R570 PolarHBondContact O-N 3.39Å; M568-R570 PolarHBondContact O-N 2.95Å
571	K	36.5	Very low	36.7	Very low	164 Å²	164	145.2 Å²	145.2	71%	0.713	68%	0.678	S	S	*	*	H	α-helix	trans	-104.1	-39.9	173.9	-84.1	-170.1	171.6	-176.3	0	113.3	L567 M568 S573 F574	L567-K571 PolarHBondContact O-N 2.93Å; M568-K571 PolarHBondContact O-N 3.04Å; K571-S573 PolarHBondContact O-N 2.92Å; K571-F574 PolarHBondContact O-N 3.17Å
572	V	33	Very low	35.8	Very low	94 Å²	94	143.4 Å²	143.4	57%	0.57	68%	0.682	S	S	*	*	H	α-helix	trans	-70.1	-22	-179.6	-178.9	0	0	0	0	112.3	M568	M568-V572 HydrophobicContact CG-CG2 4.22Å; M568-V572 PolarHBondContact O-N 2.72Å
573	S	35.8	Very low	35.4	Very low	61 Å²	61	142.6 Å²	142.6	43%	0.427	68%	0.682	S	S	.	*	H	α-helix	trans	-68.7	-31.1	176	38	0	0	0	0	114.5	E569 K571	E569-S573 WeakPolarHBondContact O-CB 3.38Å; E569-S573 PolarHBondContact O-OG 3.09Å; K571-S573 PolarHBondContact O-N 2.92Å
574	F	38.8	Very low	35.1	Very low	158 Å²	158	143.3 Å²	143.3	69%	0.693	69%	0.689	S	S	*	*	H	α-helix	trans	-81.6	-25.5	-174.9	-97.3	-80.8	0	0	0	114.9	K571	K571-F574 PolarHBondContact O-N 3.17Å
575	E	35.5	Very low	35.3	Very low	171 Å²	171	148.6 Å²	148.6	80%	0.799	70%	0.703	S	S	*	*	H	α-helix	trans	-89.7	-28.3	-177	-154.3	143.9	-125.4	0	0	111.9	Q577	E575-Q577 PolarHBondContact O-N 3.25Å
576	R	32.4	Very low	35.6	Very low	214 Å²	214	149.7 Å²	149.7	81%	0.808	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	8.7	176.7	-138	175.5	-168.5	-180	4	114.6
577	Q	36.1	Very low	36.4	Very low	141 Å²	141	145.4 Å²	145.4	66%	0.659	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.1	9.7	-175.3	-146.8	176.2	22	0	0	114.1	E575	E575-Q577 PolarHBondContact O-N 3.25Å
578	R	35.8	Very low	37.7	Very low	224 Å²	224	148.1 Å²	148.1	85%	0.845	70%	0.702	S	S	*	*	S	Bend	trans	-92.8	-28.4	171.3	-76.8	-173.9	172.3	174.1	-0.1	114.4	K580	R578-K580 PolarHBondContact O-N 3.2Å
579	D	32.3	Very low	39.6	Very low	162 Å²	162	148.6 Å²	148.6	87%	0.866	70%	0.702	S	S	*	*	S	Bend	trans	-99.1	39.4	176	-70	-65.7	0	0	0	113.5
580	K	32.3	Very low	41.7	Very low	163 Å²	163	144 Å²	144	71%	0.709	68%	0.681	S	S	*	*			trans	-108.6	112.7	154	-76.5	-171	175.6	-175.9	0	108.1	R578 T582	R578-K580 PolarHBondContact O-N 3.2Å; K580-T582 PolarHBondContact O-N 3.48Å
581	K	30.1	Very low	43.9	Very low	196 Å²	196	138.1 Å²	138.1	85%	0.852	67%	0.665	S	S	*	*			trans	-47.9	132.4	156.7	-74.1	-179.6	176.5	178.3	0	107.3	V583	K581-V583 PolarHBondContact O-N 2.96Å
582	T	27.6	Very low	46	Very low	132 Å²	132	138.4 Å²	138.4	81%	0.81	67%	0.669	S	S	*	*			trans	-70.7	77.1	168.4	-48.1	0	0	0	0	108.8	K580 V584	K580-T582 PolarHBondContact O-N 3.48Å; T582-V584 VanDerWaalsContact C-N 3.28Å; T582-V584 HydrophobicContact CG2-CG2 4.28Å; T582-V584 PolarHBondContact O-N 2.91Å
583	V	31.6	Very low	48.4	Very low	120 Å²	120	141.7 Å²	141.7	73%	0.727	68%	0.679	S	S	*	*			trans	-57.2	106.1	148.7	178.3	0	0	0	0	104.2	K581 Q585	K581-V583 PolarHBondContact O-N 2.96Å; V583-Q585 VanDerWaalsContact C-N 3.28Å; V583-Q585 PolarHBondContact O-N 3.24Å
584	V	33.8	Very low	50.9	Low	113 Å²	113	141.5 Å²	141.5	69%	0.685	67%	0.671	S	S	*	*			trans	-62.9	103.2	164.7	175.5	0	0	0	0	104.4	T582 E586	T582-V584 VanDerWaalsContact C-N 3.28Å; T582-V584 HydrophobicContact CG2-CG2 4.28Å; T582-V584 PolarHBondContact O-N 2.91Å; V584-E586 VanDerWaalsContact C-N 3.35Å; V584-E586 PolarHBondContact O-N 3.13Å
585	Q	38.4	Very low	53.2	Low	174 Å²	174	136.3 Å²	136.3	81%	0.813	65%	0.647	S	S	*	*			trans	-63.6	104.4	171.1	-171.7	171.1	-0.7	0	0	105.5	V583 V587	V583-Q585 VanDerWaalsContact C-N 3.28Å; V583-Q585 PolarHBondContact O-N 3.24Å; Q585-V587 PolarHBondContact O-N 3.23Å
586	E	45.9	Very low	55.6	Low	166 Å²	166	130.8 Å²	130.8	78%	0.776	63%	0.631	S	S	*	*			trans	-57.7	126.5	-179	-66.8	-171.4	125.5	0	0	107.9	V584 Q588	V584-E586 VanDerWaalsContact C-N 3.35Å; V584-E586 PolarHBondContact O-N 3.13Å; E586-Q588 VanDerWaalsContact C-N 3.35Å; E586-Q588 PolarHBondContact O-N 3.36Å
587	V	58.9	Low	58.4	Low	34 Å²	34	125.6 Å²	125.6	21%	0.206	61%	0.611	C	S	.	*			trans	-67.4	101.6	177	-177	0	0	0	0	105.7	Q585 H589 L625	Q585-V587 PolarHBondContact O-N 3.23Å; V587-H589 PolarHBondContact O-N 2.68Å; V587-L625 HydrophobicContact CB-CD2 4.02Å; V587-L625 HydrophobicContact CB-CG 4.15Å; V587-L625 HydrophobicContact CG1-CD1 4.45Å; V587-L625 HydrophobicContact CG1-CD2 4.1Å; V587-L625 HydrophobicContact CG1-CG 3.83Å
588	Q	64.6	Low	60.8	Low	177 Å²	177	118.9 Å²	118.9	83%	0.827	58%	0.58	S	S	*	*			trans	-62.4	131.3	-179.4	-68.2	-176.5	-19.2	0	0	108.6	E586 Q590	E586-Q588 VanDerWaalsContact C-N 3.35Å; E586-Q588 PolarHBondContact O-N 3.36Å; Q588-Q590 PolarHBondContact O-N 3.26Å
589	H	73.8	Confident	63.3	Low	145 Å²	145	111.8 Å²	111.8	67%	0.671	56%	0.558	S	S	*	*			trans	-60.6	135	176.4	-79.8	-82.4	0	0	0	110.5	V587 T591 L625 E628	V587-H589 PolarHBondContact O-N 2.68Å; H589-T591 PolarHBondContact O-N 3.46Å; H589-L625 WeakPolarHBondContact CE1-CD1 3.26Å; H589-L625 WeakPolarHBondContact ND1-CD1 3.49Å; H589-E628 WeakPolarHBondContact CA-OE1 3.14Å
590	Q	84.8	Confident	65.9	Low	29 Å²	29	108.3 Å²	108.3	14%	0.136	55%	0.552	C	S	.	*			trans	-45.4	126.4	167.3	168	172.8	76.5	0	0	110.9	Q588 Q594 R595 E628 L629 N649	Q588-Q590 PolarHBondContact O-N 3.26Å; Q590-Q594 HydrophobicContact CG-CB 4.19Å; Q590-R595 HydrophobicContact CG-CB 4.31Å; Q590-E628 HydrophobicContact CB-CB 4.4Å; Q590-E628 HydrophobicContact CB-CG 4.03Å; Q590-E628 PolarHBondContact N-OE1 2.95Å; Q590-L629 PolarHBondContact NE2-O 2.84Å; Q590-N649 PolarHBondContact NE2-O 3.14Å
591	T	83.4	Confident	68.6	Low	62 Å²	62	106.1 Å²	106.1	38%	0.38	54%	0.544	S	S	.	.			trans	-74.4	156	179.5	74.3	0	0	0	0	111.4	H589 E593 Q594 R595	H589-T591 PolarHBondContact O-N 3.46Å; T591-E593 PolarHBondContact O-N 2.96Å; T591-Q594 PolarHBondContact O-N 2.82Å; T591-Q594 VanDerWaalsContact OG1-CG 3.27Å; T591-Q594 WeakPolarHBondContact OG1-CG 3.47Å; T591-Q594 PolarHBondContact OG1-N 2.91Å; T591-Q594 VanDerWaalsContact OG1-N 3.13Å; T591-R595 PolarHBondContact O-N 3.11Å
592	E	81.9	Confident	71.4	Confident	171 Å²	171	99 Å²	99	80%	0.799	51%	0.512	S	S	*	.	H	α-helix	trans	-65.2	-30.7	177.7	-166.5	154.4	-142.9	0	0	111.7	R595 A596	E592-R595 PolarHBondContact O-N 3.36Å; E592-A596 VanDerWaalsContact O-CB 3.26Å; E592-A596 WeakPolarHBondContact O-CB 3.48Å; E592-A596 PolarHBondContact O-N 2.99Å
593	E	83.6	Confident	74.2	Confident	163 Å²	163	95.7 Å²	95.7	76%	0.762	49%	0.493	S	S	*	.	H	α-helix	trans	-63.5	-47.6	170.7	-61.8	178.3	164.3	0	0	112.2	T591 R595 A596 W597	T591-E593 PolarHBondContact O-N 2.96Å; E593-R595 VanDerWaalsContact C-N 3.31Å; E593-R595 PolarHBondContact O-N 2.93Å; E593-A596 PolarHBondContact O-N 3.15Å; E593-W597 WeakPolarHBondContact O-CB 3.43Å; E593-W597 PolarHBondContact O-N 3.33Å
594	Q	87.3	Confident	76.6	Confident	57 Å²	57	93.7 Å²	93.7	27%	0.266	48%	0.482	S	S	.	.	H	α-helix	trans	-60.5	-41.1	175.4	-75.3	168.4	-14.6	0	0	111.6	Q590 T591 L598	Q590-Q594 HydrophobicContact CG-CB 4.19Å; T591-Q594 PolarHBondContact O-N 2.82Å; T591-Q594 VanDerWaalsContact OG1-CG 3.27Å; T591-Q594 WeakPolarHBondContact OG1-CG 3.47Å; T591-Q594 PolarHBondContact OG1-N 2.91Å; T591-Q594 VanDerWaalsContact OG1-N 3.13Å; Q594-L598 WeakPolarHBondContact O-CG 3.35Å; Q594-L598 PolarHBondContact O-N 3.18Å
595	R	87.5	Confident	78.9	Confident	48 Å²	48	93.2 Å²	93.2	18%	0.181	48%	0.476	C	S	.	.	H	α-helix	trans	-66.5	-44	176.9	-167.1	-176	-172.4	88	-6.1	111.6	Q590 T591 E592 E593 L598 L599 G627 L629 D669	Q590-R595 HydrophobicContact CG-CB 4.31Å; T591-R595 PolarHBondContact O-N 3.11Å; E592-R595 PolarHBondContact O-N 3.36Å; E593-R595 VanDerWaalsContact C-N 3.31Å; E593-R595 PolarHBondContact O-N 2.93Å; R595-L598 PolarHBondContact O-N 3.18Å; R595-L599 HydrophobicContact CG-CD1 4.2Å; R595-L599 WeakPolarHBondContact O-CD1 3.44Å; R595-L599 VanDerWaalsContact O-CG 3.25Å; R595-L599 WeakPolarHBondContact O-CG 3.46Å; R595-L599 PolarHBondContact O-N 3.49Å; R595-L599 VanDerWaalsContact O-N 3.1Å; R595-G627 PolarHBondContact NH1-O 3.08Å; R595-L629 HydrophobicContact CG-CB 4.34Å; R595-L629 HydrophobicContact CG-CD2 3.98Å; R595-D669 IonicContact CZ-OD2 3.56Å; R595-D669 IonicContact NH2-OD2 2.76Å; R595-D669 PolarHBondContact NH2-OD2 3.22Å
596	A	85.3	Confident	81.4	Confident	56 Å²	56	90.8 Å²	90.8	46%	0.463	46%	0.459	S	S	.	.	H	α-helix	trans	-64.7	-41	177.2	0	0	0	0	0	111.8	E592 E593 L599 A600	E592-A596 VanDerWaalsContact O-CB 3.26Å; E592-A596 WeakPolarHBondContact O-CB 3.48Å; E592-A596 PolarHBondContact O-N 2.99Å; E593-A596 PolarHBondContact O-N 3.15Å; A596-L599 PolarHBondContact O-N 3.13Å; A596-A600 PolarHBondContact O-N 3.34Å
597	W	90.6	Very high	83.5	Confident	105 Å²	105	83 Å²	83	40%	0.398	42%	0.423	S	S	.	.	H	α-helix	trans	-62.5	-46.9	175.2	-177.4	79.9	0	0	0	111.8	E593 L599 A600 E601 Y602 H648	E593-W597 WeakPolarHBondContact O-CB 3.43Å; E593-W597 PolarHBondContact O-N 3.33Å; W597-L599 VanDerWaalsContact C-N 3.25Å; W597-L599 PolarHBondContact O-N 2.76Å; W597-A600 PolarHBondContact O-N 2.97Å; W597-A600 VanDerWaalsContact O-N 3.09Å; W597-E601 HydrophobicContact CD2-CB 4.41Å; W597-E601 HydrophobicContact CH2-CB 4.32Å; W597-E601 HydrophobicContact CH2-CG 3.96Å; W597-E601 HydrophobicContact CZ2-CB 4.03Å; W597-E601 HydrophobicContact CZ2-CG 3.67Å; W597-E601 WeakPolarHBondContact O-CB 3.44Å; W597-E601 PolarHBondContact O-N 3.45Å; W597-Y602 AromaticContact CH2-CE2 3.94Å; W597-Y602 HydrophobicContact CH2-CE2 3.94Å; W597-Y602 AromaticContact CZ3-CE2 3.87Å; W597-Y602 HydrophobicContact CZ3-CE2 3.87Å; W597-H648 AromaticContact CH2-CE1 3.94Å; W597-H648 AromaticContact CZ3-CE1 3.52Å; W597-H648 AromaticContact CZ3-ND1 3.66Å
598	L	88.3	Confident	85.1	Confident	0 Å²	0	83.3 Å²	83.3	0%	0	42%	0.421	C	S	.	.	H	α-helix	trans	-57.7	-37.1	174.3	-76.5	178.2	0	0	0	112.9	Q594 R595 A600 Y602 L607 L629 A631 H648	Q594-L598 WeakPolarHBondContact O-CG 3.35Å; Q594-L598 PolarHBondContact O-N 3.18Å; R595-L598 PolarHBondContact O-N 3.18Å; L598-A600 VanDerWaalsContact C-N 3.34Å; L598-Y602 HydrophobicContact CD2-CD2 3.88Å; L598-Y602 HydrophobicContact CD2-CE2 3.98Å; L598-Y602 PolarHBondContact O-N 3.1Å; L598-Y602 VanDerWaalsContact O-N 3.16Å; L598-L607 HydrophobicContact CB-CD2 4.28Å; L598-L629 HydrophobicContact CB-CD2 4.09Å; L598-L629 HydrophobicContact CD1-CB 4.34Å; L598-L629 HydrophobicContact CD1-CD2 4.37Å; L598-L629 HydrophobicContact CD1-CG 4.3Å; L598-L629 VanDerWaalsContact CD1-O 3.31Å; L598-L629 WeakPolarHBondContact CD1-O 3.34Å; L598-A631 HydrophobicContact CD2-CB 3.89Å; L598-H648 HydrophobicContact CD2-CB 4.32Å
599	L	87.2	Confident	86.4	Confident	74 Å²	74	76.2 Å²	76.2	39%	0.387	39%	0.388	S	S	.	.	H	α-helix	trans	-73.9	-21.8	178.5	-72.5	165.1	0	0	0	113.7	R595 A596 W597 L607 L629 Y664	R595-L599 HydrophobicContact CG-CD1 4.2Å; R595-L599 WeakPolarHBondContact O-CD1 3.44Å; R595-L599 VanDerWaalsContact O-CG 3.25Å; R595-L599 WeakPolarHBondContact O-CG 3.46Å; R595-L599 PolarHBondContact O-N 3.49Å; R595-L599 VanDerWaalsContact O-N 3.1Å; A596-L599 PolarHBondContact O-N 3.13Å; W597-L599 VanDerWaalsContact C-N 3.25Å; W597-L599 PolarHBondContact O-N 2.76Å; L599-L607 HydrophobicContact CD2-CD1 3.82Å; L599-L629 HydrophobicContact CD1-CD2 4.41Å; L599-L629 HydrophobicContact CD2-CD2 3.94Å; L599-L629 HydrophobicContact CG-CD2 3.81Å; L599-Y664 HydrophobicContact CD2-CD1 4.19Å; L599-Y664 HydrophobicContact CD2-CE1 3.4Å
600	A	86.5	Confident	87.1	Confident	89 Å²	89	69.3 Å²	69.3	74%	0.736	36%	0.356	S	S	*	.	H	α-helix	trans	-89.9	-40.7	176.1	0	0	0	0	0	112.4	A596 W597 L598	A596-A600 PolarHBondContact O-N 3.34Å; W597-A600 PolarHBondContact O-N 2.97Å; W597-A600 VanDerWaalsContact O-N 3.09Å; L598-A600 VanDerWaalsContact C-N 3.34Å
601	E	90.5	Very high	87.2	Confident	118 Å²	118	72.8 Å²	72.8	55%	0.551	37%	0.37	S	S	*	.	H	α-helix	trans	-81	-34.8	-174.3	-167.9	71.1	-162.8	0	0	113	W597	W597-E601 HydrophobicContact CD2-CB 4.41Å; W597-E601 HydrophobicContact CH2-CB 4.32Å; W597-E601 HydrophobicContact CH2-CG 3.96Å; W597-E601 HydrophobicContact CZ2-CB 4.03Å; W597-E601 HydrophobicContact CZ2-CG 3.67Å; W597-E601 WeakPolarHBondContact O-CB 3.44Å; W597-E601 PolarHBondContact O-N 3.45Å
602	Y	88.7	Confident	87	Confident	45 Å²	45	75.9 Å²	75.9	18%	0.176	38%	0.375	C	S	.	.	S	Bend	trans	-115.6	135.4	-172.1	-65.5	-82.2	0	0	0	113.6	W597 L598 A631 L633	W597-Y602 AromaticContact CH2-CE2 3.94Å; W597-Y602 HydrophobicContact CH2-CE2 3.94Å; W597-Y602 AromaticContact CZ3-CE2 3.87Å; W597-Y602 HydrophobicContact CZ3-CE2 3.87Å; L598-Y602 HydrophobicContact CD2-CD2 3.88Å; L598-Y602 HydrophobicContact CD2-CE2 3.98Å; L598-Y602 PolarHBondContact O-N 3.1Å; L598-Y602 VanDerWaalsContact O-N 3.16Å; Y602-A631 HydrophobicContact CD1-CB 3.73Å; Y602-A631 HydrophobicContact CD2-CB 3.39Å; Y602-A631 HydrophobicContact CE1-CB 4.05Å; Y602-A631 HydrophobicContact CE2-CB 3.73Å; Y602-A631 HydrophobicContact CG-CB 3.39Å; Y602-L633 HydrophobicContact CE1-CD2 3.94Å
603	P	85.4	Confident	87.1	Confident	64 Å²	64	73 Å²	73	42%	0.416	36%	0.36	S	S	.	.			trans	-68.7	150.2	179.3	28.5	-35.4	0	0	0	112	N605 R606 L607	P603-N605 WeakPolarHBondContact CB-OD1 3.28Å; P603-N605 WeakPolarHBondContact CG-OD1 3.42Å; P603-N605 PolarHBondContact O-N 3.4Å; P603-R606 HydrophobicContact CG-CB 4.44Å; P603-R606 HydrophobicContact CG-CG 4.4Å; P603-R606 PolarHBondContact O-N 3.27Å; P603-L607 PolarHBondContact O-N 3.46Å
604	P	81.5	Confident	87	Confident	77 Å²	77	65.4 Å²	65.4	50%	0.5	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-20.6	-174.8	-27.8	35.4	0	0	0	116.1	R606	P604-R606 VanDerWaalsContact C-N 3.33Å
605	N	83.6	Confident	86.8	Confident	103 Å²	103	67.4 Å²	67.4	55%	0.551	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-15.1	175.2	65.3	-13.2	0	0	0	114	P603	P603-N605 WeakPolarHBondContact CB-OD1 3.28Å; P603-N605 WeakPolarHBondContact CG-OD1 3.42Å; P603-N605 PolarHBondContact O-N 3.4Å
606	R	89.4	Confident	86.4	Confident	123 Å²	123	66.5 Å²	66.5	46%	0.464	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-2.2	171.8	-71.9	-174.3	172.6	-117.3	2.9	113.2	P603 P604 Y608 A631 L632	P603-R606 HydrophobicContact CG-CB 4.44Å; P603-R606 HydrophobicContact CG-CG 4.4Å; P603-R606 PolarHBondContact O-N 3.27Å; P604-R606 VanDerWaalsContact C-N 3.33Å; R606-Y608 WeakPolarHBondContact O-CD2 3.36Å; R606-A631 WeakPolarHBondContact O-CA 3.37Å; R606-L632 PolarHBondContact NH1-O 2.93Å; R606-L632 PolarHBondContact O-N 3.08Å
607	L	91.5	Very high	85.4	Confident	2 Å²	2	69.1 Å²	69.1	1%	0.01	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	133.4	179.2	-72	175.4	0	0	0	111.5	L598 L599 P603 L629 A631 Y664	L598-L607 HydrophobicContact CB-CD2 4.28Å; L599-L607 HydrophobicContact CD2-CD1 3.82Å; P603-L607 PolarHBondContact O-N 3.46Å; L607-L629 HydrophobicContact CB-CD1 4.28Å; L607-L629 HydrophobicContact CD2-CD2 4.23Å; L607-L629 HydrophobicContact CD2-CG 4.23Å; L607-A631 HydrophobicContact CD2-CB 4Å; L607-Y664 HydrophobicContact CB-CD1 4.18Å; L607-Y664 HydrophobicContact CB-CG 4.36Å; L607-Y664 HydrophobicContact CD1-CD1 4.28Å; L607-Y664 VanDerWaalsContact O-CB 3.31Å; L607-Y664 WeakPolarHBondContact O-CB 3.33Å; L607-Y664 PolarHBondContact O-N 3.18Å
608	Y	91.6	Very high	84.6	Confident	41 Å²	41	69 Å²	69	16%	0.161	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	148.6	-178.7	-68.4	-97.4	0	0	0	110.2	R606 L629 V630 L632 W645 L661 K662 Q663	R606-Y608 WeakPolarHBondContact O-CD2 3.36Å; Y608-L629 CarbonylContact O-C 3.57Å; Y608-L629 WeakPolarHBondContact O-CA 3.25Å; Y608-V630 PolarHBondContact N-O 3.33Å; Y608-V630 PolarHBondContact O-N 2.92Å; Y608-L632 HydrophobicContact CD2-CB 3.91Å; Y608-L632 HydrophobicContact CE2-CB 3.75Å; Y608-L632 HydrophobicContact CE2-CD2 3.72Å; Y608-L632 HydrophobicContact CE2-CG 4.38Å; Y608-W645 HydrophobicContact CD1-CZ3 4.27Å; Y608-W645 HydrophobicContact CE1-CH2 4.41Å; Y608-W645 AromaticContact CE1-CZ3 3.86Å; Y608-W645 HydrophobicContact CE1-CZ3 3.86Å; Y608-W645 HydrophobicContact CE2-CZ3 4.4Å; Y608-W645 AromaticContact CZ-CZ3 3.94Å; Y608-L661 HydrophobicContact CD1-CB 4.14Å; Y608-L661 HydrophobicContact CG-CB 4.45Å; Y608-K662 CarbonylContact C-O 3.58Å; Y608-K662 VanDerWaalsContact CA-O 3.23Å; Y608-K662 WeakPolarHBondContact CA-O 3.46Å; Y608-K662 WeakPolarHBondContact CB-O 3.32Å; Y608-Q663 HydrophobicContact CD1-CB 4.34Å; Y608-Q663 HydrophobicContact CE1-CB 4.14Å
609	Q	91.8	Very high	83.7	Confident	29 Å²	29	77.7 Å²	77.7	14%	0.136	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	144	175.5	-175.4	-179.7	57.2	0	0	109.8	G627 E628 K662	Q609-G627 WeakPolarHBondContact CG-O 3.23Å; Q609-G627 PolarHBondContact NE2-O 3.49Å; Q609-E628 CarbonylContact C-O 3.55Å; Q609-E628 VanDerWaalsContact CA-O 3.27Å; Q609-E628 WeakPolarHBondContact CA-O 3.28Å; Q609-E628 WeakPolarHBondContact CG-O 3.49Å; Q609-K662 HydrophobicContact CB-CG 4.27Å; Q609-K662 PolarHBondContact N-O 3.24Å; Q609-K662 WeakPolarHBondContact O-CG 3.48Å; Q609-K662 PolarHBondContact O-N 3.28Å
610	L	89.3	Confident	83.2	Confident	0 Å²	0	81.1 Å²	81.1	0%	0	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	138	175.3	-93.7	75.6	0	0	0	112.2	C614 L624 L625 G627 E628 V630 L661 K662	L610-C614 HydrophobicContact CD2-CB 3.72Å; L610-L624 HydrophobicContact CD1-CB 4.29Å; L610-L624 HydrophobicContact CD1-CD1 3.87Å; L610-L624 HydrophobicContact CD2-CB 3.48Å; L610-L624 VanDerWaalsContact CD2-CB 3.48Å; L610-L624 HydrophobicContact CD2-CD1 4.37Å; L610-L625 WeakPolarHBondContact CB-O 3.41Å; L610-G627 PolarHBondContact O-N 2.97Å; L610-E628 PolarHBondContact N-O 3.35Å; L610-V630 HydrophobicContact CD1-CG1 4.21Å; L610-L661 HydrophobicContact CD1-CD2 3.6Å; L610-L661 HydrophobicContact CG-CD2 4.16Å; L610-K662 WeakPolarHBondContact O-CE 3.15Å
611	K	85.4	Confident	83.1	Confident	101 Å²	101	78 Å²	78	44%	0.439	39%	0.386	S	S	.	.	S	Bend	trans	-86.1	-19	175.3	-66.9	167.2	168.7	150.4	0	113.9	T659 F660 L661 K662	K611-T659 WeakPolarHBondContact CD-O 3.37Å; K611-T659 PolarHBondContact NZ-O 3.19Å; K611-F660 VanDerWaalsContact CB-O 3.29Å; K611-F660 WeakPolarHBondContact CB-O 3.43Å; K611-F660 WeakPolarHBondContact CG-O 3.38Å; K611-F660 PolarHBondContact N-O 3.47Å; K611-L661 WeakPolarHBondContact CE-O 3.24Å; K611-L661 PolarHBondContact NZ-O 3.39Å; K611-K662 HydrophobicContact CD-CB 4.49Å; K611-K662 HydrophobicContact CG-CB 3.92Å; K611-K662 HydrophobicContact CG-CD 4.13Å; K611-K662 HydrophobicContact CG-CG 3.8Å
612	R	80.3	Confident	82.8	Confident	127 Å²	127	73.3 Å²	73.3	48%	0.479	36%	0.364	S	S	.	.	S	Bend	trans	-164.9	158.6	-177.4	57.5	178.1	171.3	-155.9	-6.1	109.3	C614 E626 F660	R612-C614 PolarHBondContact O-N 3.21Å; R612-E626 WeakPolarHBondContact CA-OE2 3.48Å; R612-F660 HydrophobicContact CG-CD2 4.35Å; R612-F660 HydrophobicContact CG-CG 4.42Å; R612-F660 VanDerWaalsContact NH2-CD1 3.28Å
613	K	84.4	Confident	82.7	Confident	110 Å²	110	73.7 Å²	73.7	48%	0.478	37%	0.374	S	S	.	.			trans	-53.9	132.1	172.9	179.7	167	-176.8	163.8	0	111.4	N615 L625	K613-N615 WeakPolarHBondContact CE-OD1 3.45Å; K613-L625 HydrophobicContact CD-CD2 3.65Å; K613-L625 HydrophobicContact CG-CD2 4.02Å
614	C	80.8	Confident	82.7	Confident	4 Å²	4	70.9 Å²	70.9	3%	0.027	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-108.6	130.9	172.1	-168.2	0	0	0	0	109.2	L610 R612 S623 L624 F660	L610-C614 HydrophobicContact CD2-CB 3.72Å; R612-C614 PolarHBondContact O-N 3.21Å; C614-S623 CarbonylContact O-C 3.51Å; C614-S623 WeakPolarHBondContact O-CA 3.29Å; C614-L624 PolarHBondContact N-O 3.13Å; C614-L624 PolarHBondContact O-N 2.93Å; C614-L624 VanDerWaalsContact O-O 3.05Å; C614-F660 HydrophobicContact CB-CD2 3.94Å; C614-F660 HydrophobicContact CB-CE2 4.31Å
615	N	82.9	Confident	82.9	Confident	100 Å²	100	68.3 Å²	68.3	54%	0.535	34%	0.337	S	S	.	.			trans	-109.3	128.6	165.9	-58.9	-23.5	0	0	0	106.4	K613	K613-N615 WeakPolarHBondContact CE-OD1 3.45Å
616	G	79.6	Confident	83	Confident	28 Å²	28	69.9 Å²	69.9	29%	0.289	34%	0.341	S	S	.	.			trans	-66.6	131.8	174.4	0	0	0	0	0	110.7	S623	G616-S623 PolarHBondContact N-OG 3.22Å
617	C	63.9	Low	82.7	Confident	111 Å²	111	65.1 Å²	65.1	75%	0.75	33%	0.331	S	S	*	.			trans	-117.7	-12.5	-173.6	-73.7	0	0	0	0	113	D621	C617-D621 PolarHBondContact N-OD2 3.04Å
618	Q	74.8	Confident	82.6	Confident	102 Å²	102	65.5 Å²	65.5	48%	0.477	33%	0.333	S	S	.	.	S	Bend	trans	-123.4	165.7	177.5	-51.8	-172.9	15.2	0	0	110.5	Q620 D621 Y657	Q618-Q620 PolarHBondContact O-N 3.11Å; Q618-D621 WeakPolarHBondContact CB-OD2 3.28Å; Q618-D621 PolarHBondContact N-OD2 3.2Å; Q618-D621 PolarHBondContact O-N 3.21Å; Q618-Y657 PolarHBondContact NE2-OH 2.83Å
619	E	68.8	Low	82.6	Confident	183 Å²	183	63.6 Å²	63.6	86%	0.855	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	136.7	167.5	-64.9	177.7	155.2	0	0	109.7	D621 R644	E619-D621 VanDerWaalsContact C-N 3.27Å; E619-D621 PolarHBondContact O-N 2.82Å; E619-R644 PolarHBondContact O-NH2 3.29Å
620	Q	77.1	Confident	82.6	Confident	146 Å²	146	62.2 Å²	62.2	68%	0.682	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	9.1	-175	-49.5	177.7	4.7	0	0	116.5	Q618 G654 Y655	Q618-Q620 PolarHBondContact O-N 3.11Å; Q620-G654 CarbonylContact O-C 3.59Å; Q620-G654 VanDerWaalsContact O-CA 3.25Å; Q620-G654 WeakPolarHBondContact O-CA 3.36Å; Q620-Y655 HydrophobicContact CB-CD2 3.99Å; Q620-Y655 HydrophobicContact CB-CE2 4.23Å; Q620-Y655 PolarHBondContact O-N 3.34Å
621	D	84.4	Confident	82.8	Confident	24 Å²	24	62.2 Å²	62.2	13%	0.128	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-74.1	143.8	165.6	-74.7	-17	0	0	0	111.5	C617 Q618 E619 R644 Y655	C617-D621 PolarHBondContact N-OD2 3.04Å; Q618-D621 WeakPolarHBondContact CB-OD2 3.28Å; Q618-D621 PolarHBondContact N-OD2 3.2Å; Q618-D621 PolarHBondContact O-N 3.21Å; E619-D621 VanDerWaalsContact C-N 3.27Å; E619-D621 PolarHBondContact O-N 2.82Å; D621-R644 IonicContact OD1-CZ 2.69Å; D621-R644 VanDerWaalsContact OD1-CZ 3.26Å; D621-R644 IonicContact OD1-NE 3.75Å; D621-R644 PolarHBondContact OD1-NE 2.75Å; D621-R644 IonicContact OD1-NH2 3.86Å; D621-R644 PolarHBondContact OD1-NH2 3.35Å; D621-Y655 WeakPolarHBondContact CA-O 3.41Å
622	L	83.9	Confident	83.1	Confident	19 Å²	19	58.2 Å²	58.2	10%	0.099	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-88.4	136.5	170.2	-66.9	173.3	0	0	0	111.8	L624 V647 N649 D652 Y655 V656	L622-L624 HydrophobicContact CB-CD1 4.06Å; L622-L624 HydrophobicContact CB-CG 4Å; L622-L624 HydrophobicContact CD1-CD1 4.36Å; L622-V647 HydrophobicContact CD1-CG2 3.96Å; L622-N649 HydrophobicContact CD1-CB 4.41Å; L622-D652 HydrophobicContact CD2-CB 4.05Å; L622-Y655 PolarHBondContact N-O 3.06Å; L622-V656 HydrophobicContact CB-CG2 4.04Å
623	S	86.5	Confident	83.5	Confident	54 Å²	54	54 Å²	54	38%	0.378	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-93.6	125.3	164.1	-60.2	0	0	0	0	108.9	C614 G616	C614-S623 CarbonylContact O-C 3.51Å; C614-S623 WeakPolarHBondContact O-CA 3.29Å; G616-S623 PolarHBondContact N-OG 3.22Å
624	L	85.8	Confident	83.7	Confident	4 Å²	4	53.9 Å²	53.9	2%	0.021	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-146.9	150.7	-170.2	-64.8	173.8	0	0	0	110.5	L610 C614 L622 E628 V630 N649 V656	L610-L624 HydrophobicContact CD1-CB 4.29Å; L610-L624 HydrophobicContact CD1-CD1 3.87Å; L610-L624 HydrophobicContact CD2-CB 3.48Å; L610-L624 VanDerWaalsContact CD2-CB 3.48Å; L610-L624 HydrophobicContact CD2-CD1 4.37Å; C614-L624 PolarHBondContact N-O 3.13Å; C614-L624 PolarHBondContact O-N 2.93Å; C614-L624 VanDerWaalsContact O-O 3.05Å; L622-L624 HydrophobicContact CB-CD1 4.06Å; L622-L624 HydrophobicContact CB-CG 4Å; L622-L624 HydrophobicContact CD1-CD1 4.36Å; L624-E628 WeakPolarHBondContact CA-OE2 3.38Å; L624-E628 WeakPolarHBondContact CB-OE2 3.37Å; L624-V630 HydrophobicContact CD1-CG1 3.64Å; L624-N649 HydrophobicContact CD2-CB 3.78Å; L624-V656 HydrophobicContact CD1-CG2 3.94Å
625	L	85.4	Confident	83.9	Confident	23 Å²	23	58.2 Å²	58.2	12%	0.12	31%	0.313	C	S	.	.			trans	-92.6	163.3	-178.6	-60.4	178.3	0	0	0	112.5	V587 H589 L610 K613 G627 E628	V587-L625 HydrophobicContact CB-CD2 4.02Å; V587-L625 HydrophobicContact CB-CG 4.15Å; V587-L625 HydrophobicContact CG1-CD1 4.45Å; V587-L625 HydrophobicContact CG1-CD2 4.1Å; V587-L625 HydrophobicContact CG1-CG 3.83Å; H589-L625 WeakPolarHBondContact CE1-CD1 3.26Å; H589-L625 WeakPolarHBondContact ND1-CD1 3.49Å; L610-L625 WeakPolarHBondContact CB-O 3.41Å; K613-L625 HydrophobicContact CD-CD2 3.65Å; K613-L625 HydrophobicContact CG-CD2 4.02Å; L625-G627 PolarHBondContact O-N 2.81Å; L625-E628 HydrophobicContact CB-CG 4.12Å; L625-E628 PolarHBondContact N-OE2 3.32Å; L625-E628 PolarHBondContact O-N 3.39Å
626	E	85.4	Confident	83.9	Confident	136 Å²	136	56 Å²	56	64%	0.636	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	132.3	177.3	-172.8	173.7	148.7	0	0	110.9	R612	R612-E626 WeakPolarHBondContact CA-OE2 3.48Å
627	G	83.1	Confident	84	Confident	24 Å²	24	55.6 Å²	55.6	25%	0.247	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.2	-7.6	-178.3	0	0	0	0	0	115.7	R595 Q609 L610 L625	R595-G627 PolarHBondContact NH1-O 3.08Å; Q609-G627 WeakPolarHBondContact CG-O 3.23Å; Q609-G627 PolarHBondContact NE2-O 3.49Å; L610-G627 PolarHBondContact O-N 2.97Å; L625-G627 PolarHBondContact O-N 2.81Å
628	E	90	Very high	84.5	Confident	10 Å²	10	55.2 Å²	55.2	5%	0.047	29%	0.29	C	S	.	.			trans	-69.4	146.7	173.6	-63.3	-173	152	0	0	111.6	H589 Q590 Q609 L610 L624 L625	H589-E628 WeakPolarHBondContact CA-OE1 3.14Å; Q590-E628 HydrophobicContact CB-CB 4.4Å; Q590-E628 HydrophobicContact CB-CG 4.03Å; Q590-E628 PolarHBondContact N-OE1 2.95Å; Q609-E628 CarbonylContact C-O 3.55Å; Q609-E628 VanDerWaalsContact CA-O 3.27Å; Q609-E628 WeakPolarHBondContact CA-O 3.28Å; Q609-E628 WeakPolarHBondContact CG-O 3.49Å; L610-E628 PolarHBondContact N-O 3.35Å; L624-E628 WeakPolarHBondContact CA-OE2 3.38Å; L624-E628 WeakPolarHBondContact CB-OE2 3.37Å; L625-E628 HydrophobicContact CB-CG 4.12Å; L625-E628 PolarHBondContact N-OE2 3.32Å; L625-E628 PolarHBondContact O-N 3.39Å
629	L	90.9	Very high	84.5	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	138.9	-177.7	-170.7	72	0	0	0	110.1	Q590 R595 L598 L599 L607 Y608 Y664	Q590-L629 PolarHBondContact NE2-O 2.84Å; R595-L629 HydrophobicContact CG-CB 4.34Å; R595-L629 HydrophobicContact CG-CD2 3.98Å; L598-L629 HydrophobicContact CB-CD2 4.09Å; L598-L629 HydrophobicContact CD1-CB 4.34Å; L598-L629 HydrophobicContact CD1-CD2 4.37Å; L598-L629 HydrophobicContact CD1-CG 4.3Å; L598-L629 VanDerWaalsContact CD1-O 3.31Å; L598-L629 WeakPolarHBondContact CD1-O 3.34Å; L599-L629 HydrophobicContact CD1-CD2 4.41Å; L599-L629 HydrophobicContact CD2-CD2 3.94Å; L599-L629 HydrophobicContact CG-CD2 3.81Å; L607-L629 HydrophobicContact CB-CD1 4.28Å; L607-L629 HydrophobicContact CD2-CD2 4.23Å; L607-L629 HydrophobicContact CD2-CG 4.23Å; Y608-L629 CarbonylContact O-C 3.57Å; Y608-L629 WeakPolarHBondContact O-CA 3.25Å; L629-Y664 HydrophobicContact CD1-CD1 4.11Å; L629-Y664 HydrophobicContact CD1-CD2 3.49Å; L629-Y664 VanDerWaalsContact CD1-CD2 3.49Å; L629-Y664 HydrophobicContact CD1-CE2 4.05Å; L629-Y664 HydrophobicContact CD1-CG 3.52Å
630	V	92.6	Very high	84.6	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	147.4	172.8	-59.4	0	0	0	0	110.9	Y608 L610 L624 V647 H648 N649 L661	Y608-V630 PolarHBondContact N-O 3.33Å; Y608-V630 PolarHBondContact O-N 2.92Å; L610-V630 HydrophobicContact CD1-CG1 4.21Å; L624-V630 HydrophobicContact CD1-CG1 3.64Å; V630-V647 HydrophobicContact CB-CB 4Å; V630-V647 HydrophobicContact CB-CG2 4.01Å; V630-V647 HydrophobicContact CG1-CG2 4.13Å; V630-V647 HydrophobicContact CG2-CB 4.02Å; V630-V647 HydrophobicContact CG2-CG1 4.2Å; V630-V647 HydrophobicContact CG2-CG2 4.12Å; V630-H648 CarbonylContact C-O 3.56Å; V630-H648 WeakPolarHBondContact CA-O 3.48Å; V630-H648 WeakPolarHBondContact CB-O 3.22Å; V630-N649 HydrophobicContact CG1-CB 4.36Å; V630-L661 HydrophobicContact CG2-CD2 3.79Å
631	A	91.8	Very high	84.6	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	134.7	168.6	0	0	0	0	0	111	L598 Y602 R606 L607 V647 H648	L598-A631 HydrophobicContact CD2-CB 3.89Å; Y602-A631 HydrophobicContact CD1-CB 3.73Å; Y602-A631 HydrophobicContact CD2-CB 3.39Å; Y602-A631 HydrophobicContact CE1-CB 4.05Å; Y602-A631 HydrophobicContact CE2-CB 3.73Å; Y602-A631 HydrophobicContact CG-CB 3.39Å; R606-A631 WeakPolarHBondContact O-CA 3.37Å; L607-A631 HydrophobicContact CD2-CB 4Å; A631-V647 CarbonylContact O-C 3.52Å; A631-V647 WeakPolarHBondContact O-CA 3.41Å; A631-V647 WeakPolarHBondContact O-CB 3.45Å; A631-H648 HydrophobicContact CB-CB 4.28Å; A631-H648 PolarHBondContact N-O 3.25Å; A631-H648 PolarHBondContact O-N 3.06Å
632	L	92.1	Very high	84.4	Confident	18 Å²	18	49.9 Å²	49.9	9%	0.094	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	118.9	174.7	-179.8	59.6	0	0	0	110.7	R606 Y608 E634 D635 W645 V647	R606-L632 PolarHBondContact NH1-O 2.93Å; R606-L632 PolarHBondContact O-N 3.08Å; Y608-L632 HydrophobicContact CD2-CB 3.91Å; Y608-L632 HydrophobicContact CE2-CB 3.75Å; Y608-L632 HydrophobicContact CE2-CD2 3.72Å; Y608-L632 HydrophobicContact CE2-CG 4.38Å; L632-E634 WeakPolarHBondContact CD1-O 3.45Å; L632-D635 HydrophobicContact CD2-CB 4.43Å; L632-W645 HydrophobicContact CD1-CB 3.8Å; L632-W645 HydrophobicContact CD1-CD2 3.89Å; L632-W645 HydrophobicContact CD1-CE3 3.65Å; L632-W645 HydrophobicContact CD1-CG 4.01Å; L632-W645 HydrophobicContact CD1-CZ3 4.45Å; L632-W645 HydrophobicContact CD2-CE3 4.03Å; L632-W645 HydrophobicContact CD2-CZ3 4Å; L632-W645 HydrophobicContact CG-CE3 4.45Å; L632-V647 HydrophobicContact CD1-CG1 4.3Å
633	L	90.1	Very high	84.4	Confident	39 Å²	39	51.6 Å²	51.6	20%	0.204	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-56.6	174.8	-55.6	-178.6	0	0	0	109.8	Y602 L646 H648 K653	Y602-L633 HydrophobicContact CE1-CD2 3.94Å; L633-L646 HydrophobicContact CB-CD2 4.4Å; L633-L646 HydrophobicContact CB-CG 4.23Å; L633-L646 WeakPolarHBondContact CB-O 3.37Å; L633-L646 HydrophobicContact CD1-CD2 4.5Å; L633-L646 HydrophobicContact CD1-CG 4.25Å; L633-L646 PolarHBondContact N-O 2.67Å; L633-H648 HydrophobicContact CD1-CB 4.34Å; L633-H648 HydrophobicContact CD2-CB 4.47Å; L633-H648 HydrophobicContact CG-CB 4.47Å; L633-K653 HydrophobicContact CD1-CD 3.81Å; L633-K653 HydrophobicContact CD1-CG 3.87Å
634	E	88.8	Confident	84.5	Confident	106 Å²	106	50.2 Å²	50.2	50%	0.495	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	137.4	-178.8	-57.1	177.3	161.3	0	0	110.3	L632 W645 L646	L632-E634 WeakPolarHBondContact CD1-O 3.45Å; E634-W645 WeakPolarHBondContact O-CA 3.36Å; E634-L646 HydrophobicContact CB-CB 4.08Å; E634-L646 HydrophobicContact CG-CD2 4.36Å; E634-L646 PolarHBondContact N-O 2.99Å; E634-L646 PolarHBondContact O-N 3.05Å
635	D	84.3	Confident	84.7	Confident	95 Å²	95	52.1 Å²	52.1	51%	0.508	31%	0.305	S	S	.	.	S	Bend	trans	-94.8	12.7	-175.3	65.4	-17	0	0	0	113.7	L632 S642 W645	L632-D635 HydrophobicContact CD2-CB 4.43Å; D635-S642 WeakPolarHBondContact O-CA 3.22Å; D635-W645 VanDerWaalsContact CA-CD1 3.49Å; D635-W645 HydrophobicContact CB-CZ2 4.47Å; D635-W645 PolarHBondContact O-NE1 2.87Å
636	T	83.2	Confident	85	Confident	53 Å²	53	52.3 Å²	52.3	33%	0.325	31%	0.306	S	S	.	.	S	Bend	trans	-140.8	157.5	174.1	41.8	0	0	0	0	109.9	S641 R644	T636-S641 WeakPolarHBondContact CA-O 3.36Å; T636-R644 CarbonylContact C-O 3.6Å
637	D	82.2	Confident	85.3	Confident	20 Å²	20	45.9 Å²	45.9	11%	0.107	28%	0.275	C	S	.	.			trans	-89.2	170.7	168.2	80.4	1.9	0	0	0	111.8	L639 G640 S641 R644 Y655	D637-L639 PolarHBondContact O-N 3.01Å; D637-L639 WeakPolarHBondContact OD1-CA 3.13Å; D637-L639 PolarHBondContact OD1-N 3.2Å; D637-G640 PolarHBondContact O-N 3Å; D637-G640 PolarHBondContact OD1-N 3.32Å; D637-S641 VanDerWaalsContact CG-CB 3.46Å; D637-S641 PolarHBondContact N-O 3.12Å; D637-S641 WeakPolarHBondContact OD1-CB 3.39Å; D637-S641 PolarHBondContact OD1-N 3.21Å; D637-S641 WeakPolarHBondContact OD2-CB 3.39Å; D637-R644 HydrophobicContact CB-CB 4.3Å; D637-R644 HydrophobicContact CB-CG 4.43Å; D637-R644 PolarHBondContact N-O 2.6Å; D637-Y655 HydrophobicContact CB-CD1 4.41Å; D637-Y655 HydrophobicContact CB-CE1 4.12Å
638	P	73.9	Confident	85.7	Confident	103 Å²	103	45.5 Å²	45.5	67%	0.669	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-1.4	-178.2	-24.6	36	0	0	0	115.6	Y655	P638-Y655 WeakPolarHBondContact CD-OH 3.43Å; P638-Y655 WeakPolarHBondContact CG-OH 3.32Å
639	L	73.5	Confident	85.7	Confident	164 Å²	164	46.2 Å²	46.2	86%	0.859	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	6.2	173.7	-57.3	176.6	0	0	0	111.9	D637	D637-L639 PolarHBondContact O-N 3.01Å; D637-L639 WeakPolarHBondContact OD1-CA 3.13Å; D637-L639 PolarHBondContact OD1-N 3.2Å
640	G	71	Confident	85.3	Confident	56 Å²	56	46.9 Å²	46.9	58%	0.577	28%	0.279	S	S	*	.			trans	86.6	12.9	178.3	0	0	0	0	0	114.9	D637 S642	D637-G640 PolarHBondContact O-N 3Å; D637-G640 PolarHBondContact OD1-N 3.32Å; G640-S642 PolarHBondContact O-N 3.5Å
641	S	76.9	Confident	84.9	Confident	41 Å²	41	49.1 Å²	49.1	29%	0.287	30%	0.301	S	S	.	.			trans	-82.7	106.9	-175.6	-172.1	0	0	0	0	112.4	T636 D637 S643 R644	T636-S641 WeakPolarHBondContact CA-O 3.36Å; D637-S641 VanDerWaalsContact CG-CB 3.46Å; D637-S641 PolarHBondContact N-O 3.12Å; D637-S641 WeakPolarHBondContact OD1-CB 3.39Å; D637-S641 PolarHBondContact OD1-N 3.21Å; D637-S641 WeakPolarHBondContact OD2-CB 3.39Å; S641-S643 PolarHBondContact O-N 2.84Å; S641-S643 PolarHBondContact OG-OG 2.9Å; S641-R644 PolarHBondContact O-N 3.2Å
642	S	81.7	Confident	84.6	Confident	83 Å²	83	54.2 Å²	54.2	58%	0.58	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	3.2	174.9	59.6	0	0	0	0	114.9	D635 G640 W645 S658	D635-S642 WeakPolarHBondContact O-CA 3.22Å; G640-S642 PolarHBondContact O-N 3.5Å; S642-W645 PolarHBondContact O-NE1 3.4Å; S642-W645 VanDerWaalsContact O-NE1 3.07Å; S642-S658 PolarHBondContact O-OG 3.17Å
643	S	84.2	Confident	84.5	Confident	54 Å²	54	59.8 Å²	59.8	38%	0.378	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-18	176.2	69.6	0	0	0	0	113.9	S641 Y657 S658	S641-S643 PolarHBondContact O-N 2.84Å; S641-S643 PolarHBondContact OG-OG 2.9Å; S643-Y657 CarbonylContact O-C 3.51Å; S643-Y657 WeakPolarHBondContact O-CA 3.31Å; S643-Y657 WeakPolarHBondContact O-CD1 3.49Å; S643-S658 PolarHBondContact O-N 3.38Å; S643-S658 PolarHBondContact O-OG 2.93Å
644	R	87.8	Confident	84.4	Confident	25 Å²	25	58 Å²	58	9%	0.094	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	113.9	-175.1	-176.7	174.7	-176.3	-129.2	2.4	108.1	E619 D621 T636 D637 S641 Y655 Y657	E619-R644 PolarHBondContact O-NH2 3.29Å; D621-R644 IonicContact OD1-CZ 2.69Å; D621-R644 VanDerWaalsContact OD1-CZ 3.26Å; D621-R644 IonicContact OD1-NE 3.75Å; D621-R644 PolarHBondContact OD1-NE 2.75Å; D621-R644 IonicContact OD1-NH2 3.86Å; D621-R644 PolarHBondContact OD1-NH2 3.35Å; T636-R644 CarbonylContact C-O 3.6Å; D637-R644 HydrophobicContact CB-CB 4.3Å; D637-R644 HydrophobicContact CB-CG 4.43Å; D637-R644 PolarHBondContact N-O 2.6Å; S641-R644 PolarHBondContact O-N 3.2Å; R644-Y655 HydrophobicContact CG-CD1 4.01Å; R644-Y655 HydrophobicContact CG-CG 4.16Å; R644-Y657 HydrophobicContact CB-CD1 4.47Å; R644-Y657 HydrophobicContact CB-CE1 4.46Å
645	W	90.5	Very high	84.5	Confident	44 Å²	44	53.8 Å²	53.8	17%	0.167	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	142.8	-172.8	-68.4	-3.7	0	0	0	110.7	Y608 L632 E634 D635 S642 V647 Y655 V656 S658 L661	Y608-W645 HydrophobicContact CD1-CZ3 4.27Å; Y608-W645 HydrophobicContact CE1-CH2 4.41Å; Y608-W645 AromaticContact CE1-CZ3 3.86Å; Y608-W645 HydrophobicContact CE1-CZ3 3.86Å; Y608-W645 HydrophobicContact CE2-CZ3 4.4Å; Y608-W645 AromaticContact CZ-CZ3 3.94Å; L632-W645 HydrophobicContact CD1-CB 3.8Å; L632-W645 HydrophobicContact CD1-CD2 3.89Å; L632-W645 HydrophobicContact CD1-CE3 3.65Å; L632-W645 HydrophobicContact CD1-CG 4.01Å; L632-W645 HydrophobicContact CD1-CZ3 4.45Å; L632-W645 HydrophobicContact CD2-CE3 4.03Å; L632-W645 HydrophobicContact CD2-CZ3 4Å; L632-W645 HydrophobicContact CG-CE3 4.45Å; E634-W645 WeakPolarHBondContact O-CA 3.36Å; D635-W645 VanDerWaalsContact CA-CD1 3.49Å; D635-W645 HydrophobicContact CB-CZ2 4.47Å; D635-W645 PolarHBondContact O-NE1 2.87Å; S642-W645 PolarHBondContact O-NE1 3.4Å; S642-W645 VanDerWaalsContact O-NE1 3.07Å; W645-V647 HydrophobicContact CB-CG1 4.24Å; W645-Y655 CarbonylContact O-C 3.53Å; W645-Y655 VanDerWaalsContact O-CA 3.31Å; W645-Y655 WeakPolarHBondContact O-CA 3.15Å; W645-V656 PolarHBondContact N-O 2.8Å; W645-V656 PolarHBondContact O-N 2.66Å; W645-S658 VanDerWaalsContact CD2-CB 3.49Å; W645-L661 HydrophobicContact CE3-CD1 3.7Å; W645-L661 HydrophobicContact CZ3-CD1 4.28Å
646	L	91.2	Very high	84.7	Confident	28 Å²	28	49.4 Å²	49.4	15%	0.147	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	121.4	172.4	-176.9	61.3	0	0	0	109.2	L633 E634 Y655	L633-L646 HydrophobicContact CB-CD2 4.4Å; L633-L646 HydrophobicContact CB-CG 4.23Å; L633-L646 WeakPolarHBondContact CB-O 3.37Å; L633-L646 HydrophobicContact CD1-CD2 4.5Å; L633-L646 HydrophobicContact CD1-CG 4.25Å; L633-L646 PolarHBondContact N-O 2.67Å; E634-L646 HydrophobicContact CB-CB 4.08Å; E634-L646 HydrophobicContact CG-CD2 4.36Å; E634-L646 PolarHBondContact N-O 2.99Å; E634-L646 PolarHBondContact O-N 3.05Å; L646-Y655 HydrophobicContact CB-CD1 4.13Å; L646-Y655 HydrophobicContact CB-CE1 3.75Å; L646-Y655 HydrophobicContact CD1-CD1 4.34Å; L646-Y655 HydrophobicContact CD1-CD2 4.46Å; L646-Y655 HydrophobicContact CD1-CE1 4.03Å; L646-Y655 HydrophobicContact CD1-CE2 4.15Å; L646-Y655 HydrophobicContact CG-CE1 4.38Å
647	V	91.6	Very high	85	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	159.7	-175	-53	0	0	0	0	112.9	L622 V630 A631 L632 W645 K653 G654 V656 L661	L622-V647 HydrophobicContact CD1-CG2 3.96Å; V630-V647 HydrophobicContact CB-CB 4Å; V630-V647 HydrophobicContact CB-CG2 4.01Å; V630-V647 HydrophobicContact CG1-CG2 4.13Å; V630-V647 HydrophobicContact CG2-CB 4.02Å; V630-V647 HydrophobicContact CG2-CG1 4.2Å; V630-V647 HydrophobicContact CG2-CG2 4.12Å; A631-V647 CarbonylContact O-C 3.52Å; A631-V647 WeakPolarHBondContact O-CA 3.41Å; A631-V647 WeakPolarHBondContact O-CB 3.45Å; L632-V647 HydrophobicContact CD1-CG1 4.3Å; W645-V647 HydrophobicContact CB-CG1 4.24Å; V647-K653 WeakPolarHBondContact O-CA 3.25Å; V647-G654 PolarHBondContact N-O 3.31Å; V647-G654 PolarHBondContact O-N 2.88Å; V647-V656 HydrophobicContact CG2-CB 4.09Å; V647-V656 HydrophobicContact CG2-CG2 3.59Å; V647-L661 HydrophobicContact CG1-CD1 4.22Å
648	H	92.2	Very high	85.2	Confident	17 Å²	17	50.7 Å²	50.7	8%	0.079	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	125.1	176.6	-154.6	-75.4	0	0	0	110.1	W597 L598 V630 A631 L633 G650 D652 K653	W597-H648 AromaticContact CH2-CE1 3.94Å; W597-H648 AromaticContact CZ3-CE1 3.52Å; W597-H648 AromaticContact CZ3-ND1 3.66Å; L598-H648 HydrophobicContact CD2-CB 4.32Å; V630-H648 CarbonylContact C-O 3.56Å; V630-H648 WeakPolarHBondContact CA-O 3.48Å; V630-H648 WeakPolarHBondContact CB-O 3.22Å; A631-H648 HydrophobicContact CB-CB 4.28Å; A631-H648 PolarHBondContact N-O 3.25Å; A631-H648 PolarHBondContact O-N 3.06Å; L633-H648 HydrophobicContact CD1-CB 4.34Å; L633-H648 HydrophobicContact CD2-CB 4.47Å; L633-H648 HydrophobicContact CG-CB 4.47Å; H648-G650 WeakPolarHBondContact ND1-CA 3.11Å; H648-G650 PolarHBondContact ND1-N 2.88Å; H648-G650 VanDerWaalsContact ND1-N 3.13Å; H648-D652 WeakPolarHBondContact CA-O 3.46Å; H648-K653 WeakPolarHBondContact CD2-CE 3.29Å; H648-K653 WeakPolarHBondContact CD2-CG 3.46Å
649	N	89.3	Confident	85.8	Confident	24 Å²	24	50 Å²	50	13%	0.128	30%	0.296	C	S	.	.			trans	-90.8	-6.4	177.1	75.1	-3.6	0	0	0	114.2	Q590 L622 L624 V630 G651 D652	Q590-N649 PolarHBondContact NE2-O 3.14Å; L622-N649 HydrophobicContact CD1-CB 4.41Å; L624-N649 HydrophobicContact CD2-CB 3.78Å; V630-N649 HydrophobicContact CG1-CB 4.36Å; N649-G651 PolarHBondContact OD1-N 3.38Å; N649-D652 PolarHBondContact N-O 2.96Å; N649-D652 PolarHBondContact OD1-N 3.12Å; N649-D652 PolarHBondContact OD1-O 2.91Å
650	G	83.1	Confident	86.5	Confident	15 Å²	15	44.2 Å²	44.2	16%	0.155	26%	0.263	C	S	.	.	S	Bend	trans	112.2	-15.9	-179.1	0	0	0	0	0	113.6	H648	H648-G650 WeakPolarHBondContact ND1-CA 3.11Å; H648-G650 PolarHBondContact ND1-N 2.88Å; H648-G650 VanDerWaalsContact ND1-N 3.13Å
651	G	84.6	Confident	87.3	Confident	46 Å²	46	41.9 Å²	41.9	47%	0.474	24%	0.237	S	C	.	.	S	Bend	trans	-119.5	-53	164.8	0	0	0	0	0	112	N649	N649-G651 PolarHBondContact OD1-N 3.38Å
652	D	83.9	Confident	87.9	Confident	108 Å²	108	43.5 Å²	43.5	58%	0.578	24%	0.24	S	C	*	.			trans	-107.3	158.4	-174.3	-67.5	-57.8	0	0	0	113.3	L622 H648 N649	L622-D652 HydrophobicContact CD2-CB 4.05Å; H648-D652 WeakPolarHBondContact CA-O 3.46Å; N649-D652 PolarHBondContact N-O 2.96Å; N649-D652 PolarHBondContact OD1-N 3.12Å; N649-D652 PolarHBondContact OD1-O 2.91Å
653	K	90.1	Very high	88.2	Confident	135 Å²	135	45.2 Å²	45.2	59%	0.587	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110.5	138.7	170.2	-68.2	176.6	-179.9	171.1	0	110	L633 V647 H648	L633-K653 HydrophobicContact CD1-CD 3.81Å; L633-K653 HydrophobicContact CD1-CG 3.87Å; V647-K653 WeakPolarHBondContact O-CA 3.25Å; H648-K653 WeakPolarHBondContact CD2-CE 3.29Å; H648-K653 WeakPolarHBondContact CD2-CG 3.46Å
654	G	89.1	Confident	88.3	Confident	2 Å²	2	43.8 Å²	43.8	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.2	-176.7	173.2	0	0	0	0	0	112.7	Q620 V647	Q620-G654 CarbonylContact O-C 3.59Å; Q620-G654 VanDerWaalsContact O-CA 3.25Å; Q620-G654 WeakPolarHBondContact O-CA 3.36Å; V647-G654 PolarHBondContact N-O 3.31Å; V647-G654 PolarHBondContact O-N 2.88Å
655	Y	90.7	Very high	87.9	Confident	17 Å²	17	46.7 Å²	46.7	7%	0.067	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	142	-167.5	-66.5	-80.5	0	0	0	113.4	Q620 D621 L622 D637 P638 R644 W645 L646	Q620-Y655 HydrophobicContact CB-CD2 3.99Å; Q620-Y655 HydrophobicContact CB-CE2 4.23Å; Q620-Y655 PolarHBondContact O-N 3.34Å; D621-Y655 WeakPolarHBondContact CA-O 3.41Å; L622-Y655 PolarHBondContact N-O 3.06Å; D637-Y655 HydrophobicContact CB-CD1 4.41Å; D637-Y655 HydrophobicContact CB-CE1 4.12Å; P638-Y655 WeakPolarHBondContact CD-OH 3.43Å; P638-Y655 WeakPolarHBondContact CG-OH 3.32Å; R644-Y655 HydrophobicContact CG-CD1 4.01Å; R644-Y655 HydrophobicContact CG-CG 4.16Å; W645-Y655 CarbonylContact O-C 3.53Å; W645-Y655 VanDerWaalsContact O-CA 3.31Å; W645-Y655 WeakPolarHBondContact O-CA 3.15Å; L646-Y655 HydrophobicContact CB-CD1 4.13Å; L646-Y655 HydrophobicContact CB-CE1 3.75Å; L646-Y655 HydrophobicContact CD1-CD1 4.34Å; L646-Y655 HydrophobicContact CD1-CD2 4.46Å; L646-Y655 HydrophobicContact CD1-CE1 4.03Å; L646-Y655 HydrophobicContact CD1-CE2 4.15Å; L646-Y655 HydrophobicContact CG-CE1 4.38Å
656	V	88	Confident	86.9	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.012	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	143.1	174.8	178.5	0	0	0	0	109.5	L622 L624 W645 V647 S658 L661	L622-V656 HydrophobicContact CB-CG2 4.04Å; L624-V656 HydrophobicContact CD1-CG2 3.94Å; W645-V656 PolarHBondContact N-O 2.8Å; W645-V656 PolarHBondContact O-N 2.66Å; V647-V656 HydrophobicContact CG2-CB 4.09Å; V647-V656 HydrophobicContact CG2-CG2 3.59Å; V656-S658 PolarHBondContact O-N 3.39Å; V656-L661 HydrophobicContact CG1-CD2 4.11Å; V656-L661 HydrophobicContact CG1-CG 4.26Å
657	Y	89.4	Confident	85.3	Confident	76 Å²	76	52.4 Å²	52.4	30%	0.298	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	126.7	176.6	-72.7	-74.9	0	0	0	112	Q618 S643 R644 T659 F660	Q618-Y657 PolarHBondContact NE2-OH 2.83Å; S643-Y657 CarbonylContact O-C 3.51Å; S643-Y657 WeakPolarHBondContact O-CA 3.31Å; S643-Y657 WeakPolarHBondContact O-CD1 3.49Å; R644-Y657 HydrophobicContact CB-CD1 4.47Å; R644-Y657 HydrophobicContact CB-CE1 4.46Å; Y657-T659 PolarHBondContact O-N 2.86Å; Y657-T659 VanDerWaalsContact O-N 3.14Å; Y657-F660 HydrophobicContact CD2-CZ 4.45Å; Y657-F660 WeakPolarHBondContact O-CB 3.41Å; Y657-F660 PolarHBondContact O-N 2.92Å
658	S	87.3	Confident	83.7	Confident	24 Å²	24	61.3 Å²	61.3	17%	0.168	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-57.1	-34.8	-175.4	61	0	0	0	0	113.3	S642 S643 W645 V656 F660 L661	S642-S658 PolarHBondContact O-OG 3.17Å; S643-S658 PolarHBondContact O-N 3.38Å; S643-S658 PolarHBondContact O-OG 2.93Å; W645-S658 VanDerWaalsContact CD2-CB 3.49Å; V656-S658 PolarHBondContact O-N 3.39Å; S658-F660 PolarHBondContact O-N 3.43Å; S658-F660 VanDerWaalsContact O-N 3.12Å; S658-L661 PolarHBondContact O-N 2.92Å
659	T	85.9	Confident	81.9	Confident	90 Å²	90	62.6 Å²	62.6	55%	0.552	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-60	-22.9	176	60.8	0	0	0	0	114	K611 Y657	K611-T659 WeakPolarHBondContact CD-O 3.37Å; K611-T659 PolarHBondContact NZ-O 3.19Å; Y657-T659 PolarHBondContact O-N 2.86Å; Y657-T659 VanDerWaalsContact O-N 3.14Å
660	F	88.5	Confident	80	Confident	41 Å²	41	65.1 Å²	65.1	18%	0.18	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-85.4	-10	-179.7	-66.2	27.2	0	0	0	112	K611 R612 C614 Y657 S658	K611-F660 VanDerWaalsContact CB-O 3.29Å; K611-F660 WeakPolarHBondContact CB-O 3.43Å; K611-F660 WeakPolarHBondContact CG-O 3.38Å; K611-F660 PolarHBondContact N-O 3.47Å; R612-F660 HydrophobicContact CG-CD2 4.35Å; R612-F660 HydrophobicContact CG-CG 4.42Å; R612-F660 VanDerWaalsContact NH2-CD1 3.28Å; C614-F660 HydrophobicContact CB-CD2 3.94Å; C614-F660 HydrophobicContact CB-CE2 4.31Å; Y657-F660 HydrophobicContact CD2-CZ 4.45Å; Y657-F660 WeakPolarHBondContact O-CB 3.41Å; Y657-F660 PolarHBondContact O-N 2.92Å; S658-F660 PolarHBondContact O-N 3.43Å; S658-F660 VanDerWaalsContact O-N 3.12Å
661	L	87.5	Confident	78.4	Confident	7 Å²	7	71 Å²	71	4%	0.037	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	143.9	-177.3	-60.6	176.4	0	0	0	111.6	Y608 L610 K611 V630 W645 V647 V656 S658	Y608-L661 HydrophobicContact CD1-CB 4.14Å; Y608-L661 HydrophobicContact CG-CB 4.45Å; L610-L661 HydrophobicContact CD1-CD2 3.6Å; L610-L661 HydrophobicContact CG-CD2 4.16Å; K611-L661 WeakPolarHBondContact CE-O 3.24Å; K611-L661 PolarHBondContact NZ-O 3.39Å; V630-L661 HydrophobicContact CG2-CD2 3.79Å; W645-L661 HydrophobicContact CE3-CD1 3.7Å; W645-L661 HydrophobicContact CZ3-CD1 4.28Å; V647-L661 HydrophobicContact CG1-CD1 4.22Å; V656-L661 HydrophobicContact CG1-CD2 4.11Å; V656-L661 HydrophobicContact CG1-CG 4.26Å; S658-L661 PolarHBondContact O-N 2.92Å
662	K	89.4	Confident	76.6	Confident	76 Å²	76	77 Å²	77	33%	0.33	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	146.1	164.9	47.6	177.2	178.4	176.1	0	107.7	Y608 Q609 L610 K611 Y664	Y608-K662 CarbonylContact C-O 3.58Å; Y608-K662 VanDerWaalsContact CA-O 3.23Å; Y608-K662 WeakPolarHBondContact CA-O 3.46Å; Y608-K662 WeakPolarHBondContact CB-O 3.32Å; Q609-K662 HydrophobicContact CB-CG 4.27Å; Q609-K662 PolarHBondContact N-O 3.24Å; Q609-K662 WeakPolarHBondContact O-CG 3.48Å; Q609-K662 PolarHBondContact O-N 3.28Å; L610-K662 WeakPolarHBondContact O-CE 3.15Å; K611-K662 HydrophobicContact CD-CB 4.49Å; K611-K662 HydrophobicContact CG-CB 3.92Å; K611-K662 HydrophobicContact CG-CD 4.13Å; K611-K662 HydrophobicContact CG-CG 3.8Å; K662-Y664 PolarHBondContact O-N 3.15Å
663	Q	88.3	Confident	74.7	Confident	119 Å²	119	74.9 Å²	74.9	56%	0.556	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.3	140.3	174.9	-169	176.9	-0.5	0	0	110.1	Y608	Y608-Q663 HydrophobicContact CD1-CB 4.34Å; Y608-Q663 HydrophobicContact CE1-CB 4.14Å
664	Y	87	Confident	72.3	Confident	24 Å²	24	74.6 Å²	74.6	9%	0.094	37%	0.374	C	S	.	.			trans	-72.2	141.1	177.8	178.1	-114.8	0	0	0	110.8	L599 L607 L629 K662 P666	L599-Y664 HydrophobicContact CD2-CD1 4.19Å; L599-Y664 HydrophobicContact CD2-CE1 3.4Å; L607-Y664 HydrophobicContact CB-CD1 4.18Å; L607-Y664 HydrophobicContact CB-CG 4.36Å; L607-Y664 HydrophobicContact CD1-CD1 4.28Å; L607-Y664 VanDerWaalsContact O-CB 3.31Å; L607-Y664 WeakPolarHBondContact O-CB 3.33Å; L607-Y664 PolarHBondContact O-N 3.18Å; L629-Y664 HydrophobicContact CD1-CD1 4.11Å; L629-Y664 HydrophobicContact CD1-CD2 3.49Å; L629-Y664 VanDerWaalsContact CD1-CD2 3.49Å; L629-Y664 HydrophobicContact CD1-CE2 4.05Å; L629-Y664 HydrophobicContact CD1-CG 3.52Å; K662-Y664 PolarHBondContact O-N 3.15Å; Y664-P666 HydrophobicContact CE1-CB 3.85Å; Y664-P666 HydrophobicContact CE1-CG 4.49Å
665	N	79.4	Confident	70.2	Confident	86 Å²	86	81 Å²	81	46%	0.46	40%	0.403	S	S	.	.			trans	-129.8	104	176.8	-175.8	-18.2	0	0	0	109.4	L667 R668	N665-L667 PolarHBondContact O-N 3.17Å; N665-L667 WeakPolarHBondContact OD1-CB 3.4Å; N665-L667 PolarHBondContact OD1-N 3Å; N665-R668 PolarHBondContact O-N 2.88Å
666	P	67.9	Low	67.7	Low	59 Å²	59	88.9 Å²	88.9	38%	0.383	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-21.2	-172.7	25.1	-33.9	0	0	0	114	Y664 R668 S670	Y664-P666 HydrophobicContact CE1-CB 3.85Å; Y664-P666 HydrophobicContact CE1-CG 4.49Å; P666-R668 PolarHBondContact O-N 2.9Å; P666-R668 VanDerWaalsContact O-N 3.15Å; P666-S670 PolarHBondContact O-OG 3.27Å
667	L	59	Low	65.2	Low	132 Å²	132	92.5 Å²	92.5	69%	0.691	47%	0.467	S	S	*	.	H	α-helix	trans	-63.2	-21.4	178.3	-65.6	166.6	0	0	0	112.9	N665	N665-L667 PolarHBondContact O-N 3.17Å; N665-L667 WeakPolarHBondContact OD1-CB 3.4Å; N665-L667 PolarHBondContact OD1-N 3Å
668	R	57.8	Low	62.7	Low	188 Å²	188	97.9 Å²	97.9	71%	0.709	49%	0.493	S	S	*	.	H	α-helix	trans	-93	-24.3	-169	-154.9	172.3	-175.4	177.3	1.4	114.5	N665 P666	N665-R668 PolarHBondContact O-N 2.88Å; P666-R668 PolarHBondContact O-N 2.9Å; P666-R668 VanDerWaalsContact O-N 3.15Å
669	D	54.1	Low	60.2	Low	44 Å²	44	105 Å²	105	24%	0.235	52%	0.523	C	S	.	.	H	α-helix	trans	-85.2	-34.1	175.6	-82.6	-16.8	0	0	0	111.7	R595 Q671 R672 A673	R595-D669 IonicContact CZ-OD2 3.56Å; R595-D669 IonicContact NH2-OD2 2.76Å; R595-D669 PolarHBondContact NH2-OD2 3.22Å; D669-Q671 PolarHBondContact O-N 2.85Å; D669-R672 WeakPolarHBondContact O-CB 3.36Å; D669-R672 PolarHBondContact O-N 2.78Å; D669-A673 PolarHBondContact O-N 3.42Å; D669-A673 VanDerWaalsContact O-N 3.08Å
670	S	49.2	Very low	57.7	Low	77 Å²	77	109.4 Å²	109.4	54%	0.538	54%	0.537	S	S	.	.	H	α-helix	trans	-57.9	-31.6	173.5	-54.2	0	0	0	0	113.2	P666	P666-S670 PolarHBondContact O-OG 3.27Å
671	Q	49.5	Very low	54.9	Low	137 Å²	137	115.9 Å²	115.9	64%	0.64	57%	0.568	S	S	*	*	H	α-helix	trans	-71.4	-28.8	174.5	-69.8	178.8	-20.9	0	0	112.9	D669	D669-Q671 PolarHBondContact O-N 2.85Å
672	R	47	Very low	52.1	Low	173 Å²	173	125 Å²	125	65%	0.653	61%	0.61	S	S	*	*	H	α-helix	trans	-79.2	-36.2	176.3	-79.8	178.5	154.1	-172.3	-8.7	112.8	D669 N674 Q675 K676	D669-R672 WeakPolarHBondContact O-CB 3.36Å; D669-R672 PolarHBondContact O-N 2.78Å; R672-N674 VanDerWaalsContact C-N 3.33Å; R672-N674 PolarHBondContact O-N 2.89Å; R672-Q675 PolarHBondContact O-N 3.19Å; R672-K676 PolarHBondContact O-N 3.42Å
673	A	44.4	Very low	49.4	Very low	64 Å²	64	125.9 Å²	125.9	53%	0.529	63%	0.632	S	S	.	*	H	α-helix	trans	-57.5	-46.4	174.8	0	0	0	0	0	111.5	D669 Q675 K676	D669-A673 PolarHBondContact O-N 3.42Å; D669-A673 VanDerWaalsContact O-N 3.08Å; A673-Q675 PolarHBondContact O-N 2.95Å; A673-K676 PolarHBondContact O-N 3.16Å
674	N	39.6	Very low	46.6	Very low	129 Å²	129	126.5 Å²	126.5	69%	0.69	65%	0.646	S	S	*	*	H	α-helix	trans	-69.5	-12.9	178.5	-82.9	-8.3	0	0	0	115.1	R672	R672-N674 VanDerWaalsContact C-N 3.33Å; R672-N674 PolarHBondContact O-N 2.89Å
675	Q	43.4	Very low	43.8	Very low	136 Å²	136	132.2 Å²	132.2	64%	0.636	68%	0.684	S	S	*	*	H	α-helix	trans	-85.4	-42.3	174.4	-75.6	178.2	-29.6	0	0	111.8	R672 A673 A677 K678	R672-Q675 PolarHBondContact O-N 3.19Å; A673-Q675 PolarHBondContact O-N 2.95Å; Q675-A677 PolarHBondContact O-N 3.3Å; Q675-A677 VanDerWaalsContact O-N 3.14Å; Q675-K678 PolarHBondContact O-N 3.47Å
676	K	39.2	Very low	41.3	Very low	182 Å²	182	131 Å²	131	79%	0.791	68%	0.677	S	S	*	*	H	α-helix	trans	-61.1	-23.7	177.4	-76.8	-169.4	171.8	-173	0	114.1	R672 A673 K678	R672-K676 PolarHBondContact O-N 3.42Å; A673-K676 PolarHBondContact O-N 3.16Å; K676-K678 PolarHBondContact O-N 3.01Å
677	A	36.5	Very low	39.2	Very low	78 Å²	78	133.9 Å²	133.9	65%	0.645	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-0.9	-179.5	0	0	0	0	0	115.2	Q675	Q675-A677 PolarHBondContact O-N 3.3Å; Q675-A677 VanDerWaalsContact O-N 3.14Å
678	K	36.4	Very low	37.6	Very low	190 Å²	190	131.5 Å²	131.5	83%	0.826	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.5	-7.1	-175.5	-78.6	-169	171.5	-173.5	0	116.5	Q675 K676	Q675-K678 PolarHBondContact O-N 3.47Å; K676-K678 PolarHBondContact O-N 3.01Å
679	E	34.3	Very low	36.2	Very low	174 Å²	174	130 Å²	130	81%	0.813	68%	0.676	S	S	*	*			trans	-103.8	23.8	-173.1	-62.6	-177.9	138.7	0	0	113.3
680	Q	32.4	Very low	34.9	Very low	182 Å²	182	133.3 Å²	133.3	85%	0.85	69%	0.694	S	S	*	*			trans	-103.5	27.8	-169.5	-143.1	176.2	31.9	0	0	114.7
681	Q	31.3	Very low	33.8	Very low	177 Å²	177	137.6 Å²	137.6	83%	0.827	70%	0.703	S	S	*	*	S	Bend	trans	-134.8	129.1	176.8	-68.5	-169.4	-1.8	0	0	113.5
682	Q	27.7	Very low	32.9	Very low	197 Å²	197	138 Å²	138	92%	0.921	71%	0.71	S	S	*	*			trans	78.2	135.6	169.5	-55.8	-177.5	2.8	0	0	118.3
683	A	32.1	Very low	32	Very low	96 Å²	96	135 Å²	135	79%	0.793	71%	0.707	S	S	*	*			trans	-157.8	151.1	176.8	0	0	0	0	0	109.6
684	P	31.4	Very low	31.2	Very low	131 Å²	131	139.3 Å²	139.3	85%	0.851	72%	0.721	S	S	*	*			trans	-123.8	179.1	164.3	32.1	-15.2	0	0	0	113.9
685	V	26.4	Very low	30.6	Very low	145 Å²	145	136.4 Å²	136.4	88%	0.879	71%	0.71	S	S	*	*			trans	-118.6	169.3	-159	174.4	0	0	0	0	113
686	I	27.4	Very low	29.9	Very low	61 Å²	61	136.3 Å²	136.3	31%	0.313	71%	0.713	S	S	.	*			trans	-102.6	144.4	-169.4	-42	139.4	0	0	0	111.7	Y688 M706 R707	I686-Y688 HydrophobicContact CG2-CD2 3.64Å; I686-Y688 HydrophobicContact CG2-CE2 4.03Å; I686-M706 HydrophobicContact CD1-CB 3.83Å; I686-R707 HydrophobicContact CD1-CB 3.65Å; I686-R707 HydrophobicContact CD1-CG 4.49Å; I686-R707 HydrophobicContact CG1-CB 3.75Å
687	T	23.5	Very low	29.1	Very low	118 Å²	118	136 Å²	136	72%	0.724	71%	0.713	S	S	*	*			trans	-136.1	147.5	135.3	61.3	0	0	0	0	106.9
688	Y	26.1	Very low	28.5	Very low	82 Å²	82	138 Å²	138	32%	0.322	72%	0.716	S	S	.	*			cis	66.4	154.3	29.2	-70	-65.6	0	0	0	112.5	I686 D690 M706 R707	I686-Y688 HydrophobicContact CG2-CD2 3.64Å; I686-Y688 HydrophobicContact CG2-CE2 4.03Å; Y688-D690 WeakPolarHBondContact CD1-OD2 3.4Å; Y688-D690 VanDerWaalsContact CE1-OD2 3.25Å; Y688-D690 WeakPolarHBondContact CE1-OD2 3.36Å; Y688-M706 HydrophobicContact CE2-CE 3.68Å; Y688-M706 HydrophobicContact CE2-SD 3.95Å; Y688-M706 PolarHBondContact OH-SD 2.89Å; Y688-R707 VanDerWaalsContact CE1-NH2 3.29Å; Y688-R707 PolarHBondContact OH-NH2 3.32Å
689	E	27.5	Very low	28	Very low	156 Å²	156	134.1 Å²	134.1	73%	0.729	71%	0.713	S	S	*	*			cis	-105.1	-144	11.3	-69.8	66.8	-118.3	0	0	114.5
690	D	28.1	Very low	27.5	Very low	114 Å²	114	131.4 Å²	131.4	61%	0.61	71%	0.711	S	S	*	*			trans	-152.3	-148.6	-138.8	-68.1	-58.6	0	0	0	109.8	Y688	Y688-D690 WeakPolarHBondContact CD1-OD2 3.4Å; Y688-D690 VanDerWaalsContact CE1-OD2 3.25Å; Y688-D690 WeakPolarHBondContact CE1-OD2 3.36Å
691	F	26.2	Very low	27.1	Very low	167 Å²	167	128.2 Å²	128.2	73%	0.732	71%	0.708	S	S	*	*			cis	-160.6	-149.4	7.4	-160.6	-123	0	0	0	111.7
692	D	29	Very low	26.7	Very low	146 Å²	146	125.4 Å²	125.4	78%	0.781	71%	0.708	S	S	*	*			trans	73.2	131.3	166.3	-59.6	-15.5	0	0	0	120.2
693	D	29.6	Very low	26.5	Very low	111 Å²	111	122 Å²	122	59%	0.594	71%	0.706	S	S	*	*			cis	-148.8	-152.9	-44.7	-162.9	12.9	0	0	0	105.3
694	L	28	Very low	26	Very low	154 Å²	154	120.7 Å²	120.7	81%	0.806	70%	0.702	S	S	*	*			cis	-146.1	156.8	13.9	-75.7	160.5	0	0	0	108.8
695	S	26.8	Very low	25.7	Very low	68 Å²	68	119.1 Å²	119.1	48%	0.476	69%	0.694	S	S	.	*			cis	-174.9	159.7	-27.7	61	0	0	0	0	109.3
696	L	27.7	Very low	25.6	Very low	134 Å²	134	117.6 Å²	117.6	70%	0.702	68%	0.679	S	S	*	*			trans	65.1	138.2	159.2	-48.7	-169.5	0	0	0	119.9
697	F	22.9	Very low	25.5	Very low	176 Å²	176	121.1 Å²	121.1	77%	0.772	69%	0.688	S	S	*	*			cis	-158.1	157.7	-1.2	-127.3	-34.6	0	0	0	113.6
698	V	24.6	Very low	25.8	Very low	119 Å²	119	120.2 Å²	120.2	72%	0.721	69%	0.687	S	S	*	*			trans	73.5	105.4	166	-169.1	0	0	0	0	118.3
699	S	24.3	Very low	25.7	Very low	109 Å²	109	122.4 Å²	122.4	76%	0.762	71%	0.708	S	S	*	*			trans	-145.8	131.4	136.1	-75.5	0	0	0	0	109.1
700	P	24.6	Very low	25.4	Very low	117 Å²	117	120.5 Å²	120.5	76%	0.76	71%	0.712	S	S	*	*			trans	-86.8	121.4	155.7	32.1	-26.7	0	0	0	108.4
701	S	23.5	Very low	25.4	Very low	114 Å²	114	122.8 Å²	122.8	80%	0.797	72%	0.723	S	S	*	*				92	93.1	50.8	-71	0	0	0	0	114
702	S	22.7	Very low	25.2	Very low	118 Å²	118	121.6 Å²	121.6	83%	0.825	73%	0.725	S	S	*	*			trans	-166.8	115.2	144.3	56.3	0	0	0	0	111.8
703	S	23.5	Very low	24.9	Very low	125 Å²	125	119.9 Å²	119.9	87%	0.874	72%	0.72	S	S	*	*			trans	43.2	123.9	163.7	-154.4	0	0	0	0	119.4
704	G	23.2	Very low	24.7	Very low	69 Å²	69	120.4 Å²	120.4	71%	0.711	73%	0.727	S	S	*	*			cis	102.8	135.4	20.5	0	0	0	0	0	111.2
705	S	23.4	Very low	24.4	Very low	98 Å²	98	119.7 Å²	119.7	69%	0.685	72%	0.724	S	S	*	*			cis	-164.2	147.1	-2.9	-167.6	0	0	0	0	112.7
706	M	25.6	Very low	24.2	Very low	113 Å²	113	121.1 Å²	121.1	56%	0.557	73%	0.734	S	S	*	*			trans	22.4	161.8	145.5	-60.1	-164.1	-81.7	0	0	123.4	I686 Y688	I686-M706 HydrophobicContact CD1-CB 3.83Å; Y688-M706 HydrophobicContact CE2-CE 3.68Å; Y688-M706 HydrophobicContact CE2-SD 3.95Å; Y688-M706 PolarHBondContact OH-SD 2.89Å
707	R	25.5	Very low	24.1	Very low	136 Å²	136	119.6 Å²	119.6	51%	0.513	73%	0.734	S	S	.	*			cis	-160.8	-170.9	5.6	-134.3	172.1	-178.2	-168.9	3.8	111	I686 Y688	I686-R707 HydrophobicContact CD1-CB 3.65Å; I686-R707 HydrophobicContact CD1-CG 4.49Å; I686-R707 HydrophobicContact CG1-CB 3.75Å; Y688-R707 VanDerWaalsContact CE1-NH2 3.29Å; Y688-R707 PolarHBondContact OH-NH2 3.32Å
708	S	28.6	Very low	24.1	Very low	99 Å²	99	116.5 Å²	116.5	69%	0.692	74%	0.735	S	S	*	*			trans	-125.4	176.3	170.5	52	0	0	0	0	110.8
709	V	25.6	Very low	24.2	Very low	128 Å²	128	116.9 Å²	116.9	78%	0.776	74%	0.738	S	S	*	*			cis	-146	176	19.3	-141	0	0	0	0	110.8
710	S	21.3	Very low	24.2	Very low	115 Å²	115	119.9 Å²	119.9	80%	0.804	74%	0.744	S	S	*	*				170.8	177.5	100.1	-85.1	0	0	0	0	113.4
711	L	26.8	Very low	24.2	Very low	162 Å²	162	119.6 Å²	119.6	85%	0.848	75%	0.745	S	S	*	*			trans	-112.7	174.1	-171.5	-79.4	160.9	0	0	0	115
712	N	23	Very low	24.2	Very low	142 Å²	142	117.2 Å²	117.2	76%	0.759	74%	0.739	S	S	*	*			trans	96.3	147.3	163.7	-58	-12.8	0	0	0	117.3
713	T	22.8	Very low	24.4	Very low	111 Å²	111	119.7 Å²	119.7	68%	0.681	74%	0.742	S	S	*	*			cis	-168.3	171.7	-22.6	31.7	0	0	0	0	108.7
714	T	23.9	Very low	24.4	Very low	122 Å²	122	122.8 Å²	122.8	75%	0.748	74%	0.742	S	S	*	*			trans	66.5	150.3	163.9	59.5	0	0	0	0	117.5
715	D	21.4	Very low	24.4	Very low	139 Å²	139	123.2 Å²	123.2	74%	0.743	75%	0.747	S	S	*	*			cis	-161.2	168.8	-11.8	-116.6	15	0	0	0	112.6
716	S	23.8	Very low	24.4	Very low	97 Å²	97	127.6 Å²	127.6	68%	0.678	76%	0.756	S	S	*	*			trans	36.7	130.4	143.1	-56.9	0	0	0	0	121.2
717	S	24.4	Very low	24.4	Very low	102 Å²	102	130.3 Å²	130.3	71%	0.713	77%	0.772	S	S	*	*			cis	121.5	124.3	13.8	64.4	0	0	0	0	111.8
718	S	24.5	Very low	24.3	Very low	111 Å²	111	131.3 Å²	131.3	78%	0.776	78%	0.783	S	S	*	*			trans	-175.8	135.7	154.4	24.4	0	0	0	0	108.8
719	T	26	Very low	24	Very low	128 Å²	128	133.3 Å²	133.3	79%	0.785	79%	0.786	S	S	*	*			cis	98.8	126.1	21.1	64.4	0	0	0	0	115.2
720	L	24.6	Very low	23.9	Very low	171 Å²	171	132 Å²	132	90%	0.895	79%	0.788	S	S	*	*			trans	154.9	145.7	156.8	-87.3	166.3	0	0	0	106.8
721	S	25.3	Very low	24.1	Very low	111 Å²	111	135.6 Å²	135.6	78%	0.776	79%	0.792	S	S	*	*			cis	-174	156.4	-17.3	41.1	0	0	0	0	107.4
722	G	23.2	Very low	23.9	Very low	65 Å²	65	136.9 Å²	136.9	67%	0.67	79%	0.794	S	S	*	*			cis	161.6	170.4	-4.1	0	0	0	0	0	110.9
723	L	26.3	Very low	24	Very low	169 Å²	169	139 Å²	139	89%	0.885	80%	0.799	S	S	*	*			trans	60.3	155.9	157.8	-49.1	178.1	0	0	0	117.7
724	Q	23.7	Very low	24.1	Very low	190 Å²	190	137.2 Å²	137.2	89%	0.888	80%	0.803	S	S	*	*			cis	-158.1	155	16.5	-159.3	168.3	-9.1	0	0	111.1
725	G	23.5	Very low	24.2	Very low	78 Å²	78	140.5 Å²	140.5	80%	0.804	81%	0.81	S	S	*	*			trans	135	120.7	161.4	0	0	0	0	0	116
726	E	23.3	Very low	24.3	Very low	191 Å²	191	139.7 Å²	139.7	89%	0.893	82%	0.815	S	S	*	*			trans	-113.6	152.1	172.1	-59.6	169.7	119.5	0	0	110
727	L	24.5	Very low	24.9	Very low	169 Å²	169	141.7 Å²	141.7	89%	0.885	82%	0.823	S	S	*	*				177.8	175	129.2	-96	159	0	0	0	111.2
728	E	24	Very low	25.1	Very low	157 Å²	157	144.3 Å²	144.3	73%	0.734	83%	0.829	S	S	*	*			trans	-108.7	165.2	-149.5	-44.2	173.4	120.1	0	0	117.4
729	N	21.6	Very low	25.5	Very low	141 Å²	141	141.9 Å²	141.9	75%	0.754	82%	0.822	S	S	*	*			trans	80.3	158.7	137.8	-79.4	-41.7	0	0	0	121.8
730	A	24	Very low	26.1	Very low	101 Å²	101	143.2 Å²	143.2	84%	0.835	82%	0.824	S	S	*	*			trans	81	118.2	166.9	0	0	0	0	0	119.4
731	E	24.7	Very low	27.3	Very low	190 Å²	190	139.6 Å²	139.6	89%	0.888	81%	0.809	S	S	*	*			trans	-57.8	147.2	172	-52.7	162.9	130.2	0	0	113.7
732	E	24.2	Very low	28.9	Very low	189 Å²	189	139.3 Å²	139.3	88%	0.883	80%	0.796	S	S	*	*				-164.6	-167	113.6	-115.6	-174.6	-172.6	0	0	112.6
733	Q	24.8	Very low	31.1	Very low	187 Å²	187	141 Å²	141	87%	0.874	79%	0.786	S	S	*	*			trans	-107.3	156.6	-156.7	-54.1	170.6	21.5	0	0	114.1
734	G	24.5	Very low	33.9	Very low	74 Å²	74	133.8 Å²	133.8	76%	0.763	75%	0.747	S	S	*	*			trans	119.1	138.5	145.8	0	0	0	0	0	117.6
735	E	25.3	Very low	37	Very low	190 Å²	190	127.9 Å²	127.9	89%	0.888	72%	0.717	S	S	*	*			trans	7.4	128.1	157.3	-51.9	-175	150.1	0	0	118.2
736	S	23.6	Very low	40	Very low	122 Å²	122	124.1 Å²	124.1	85%	0.853	68%	0.679	S	S	*	*				-176.8	-175.5	70.7	44.5	0	0	0	0	112.2
737	V	36	Very low	42.9	Very low	140 Å²	140	117 Å²	117	85%	0.848	65%	0.649	S	S	*	*			trans	-107.4	117.1	-171.2	176.9	0	0	0	0	112.4
738	D	29.4	Very low	45.3	Very low	156 Å²	156	115.4 Å²	115.4	83%	0.834	63%	0.631	S	S	*	*			trans	-162.5	156.9	131.3	-124.4	-7	0	0	0	108.8
739	G	32.4	Very low	48.2	Very low	60 Å²	60	110.9 Å²	110.9	62%	0.619	62%	0.621	S	S	*	*			cis	-175.7	98.4	-3.3	0	0	0	0	0	110.8
740	D	39.8	Very low	51.4	Low	156 Å²	156	105.2 Å²	105.2	83%	0.834	59%	0.59	S	S	*	*			trans	-135.6	119	174.8	-153	-6.4	0	0	0	110.5	Q742	D740-Q742 PolarHBondContact O-N 3.03Å
741	T	48.7	Very low	54.5	Low	96 Å²	96	107.4 Å²	107.4	59%	0.589	58%	0.583	S	S	*	*			trans	-82.3	81.5	-161.8	50.2	0	0	0	0	112.7	Q743	T741-Q743 PolarHBondContact O-N 3.35Å
742	Q	58.6	Low	57.4	Low	105 Å²	105	99.6 Å²	99.6	49%	0.491	55%	0.55	S	S	.	*			trans	-63.4	97.9	166	-64	-169.7	37.3	0	0	109.7	D740 Y744	D740-Q742 PolarHBondContact O-N 3.03Å; Q742-Y744 HydrophobicContact CB-CE2 3.8Å; Q742-Y744 WeakPolarHBondContact O-CD2 3.36Å; Q742-Y744 WeakPolarHBondContact O-CE2 3.49Å; Q742-Y744 PolarHBondContact OE1-OH 3.44Å
743	Q	70.3	Confident	60	Low	101 Å²	101	99.1 Å²	99.1	47%	0.472	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	137.6	176.5	-64.2	-178.3	8.9	0	0	110.2	T741 M800	T741-Q743 PolarHBondContact O-N 3.35Å; Q743-M800 HydrophobicContact CB-CB 4.34Å; Q743-M800 WeakPolarHBondContact O-CB 3.36Å; Q743-M800 PolarHBondContact O-N 2.63Å
744	Y	85.4	Confident	62.6	Low	17 Å²	17	93.4 Å²	93.4	7%	0.067	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	156.8	177.2	-71.4	-101.5	0	0	0	109.9	Q742 V766 I768 F771 W781 L797 G798 R799	Q742-Y744 HydrophobicContact CB-CE2 3.8Å; Q742-Y744 WeakPolarHBondContact O-CD2 3.36Å; Q742-Y744 WeakPolarHBondContact O-CE2 3.49Å; Q742-Y744 PolarHBondContact OE1-OH 3.44Å; Y744-V766 PolarHBondContact N-O 3.38Å; Y744-V766 PolarHBondContact O-N 3.25Å; Y744-V766 VanDerWaalsContact O-O 3.07Å; Y744-I768 HydrophobicContact CD1-CG1 4.41Å; Y744-I768 HydrophobicContact CD2-CB 4.33Å; Y744-I768 HydrophobicContact CD2-CG1 3.47Å; Y744-I768 VanDerWaalsContact CD2-CG1 3.47Å; Y744-I768 HydrophobicContact CE2-CG1 3.98Å; Y744-I768 HydrophobicContact CG-CD1 4.45Å; Y744-I768 HydrophobicContact CG-CG1 3.73Å; Y744-F771 HydrophobicContact CE2-CE1 4.09Å; Y744-F771 HydrophobicContact CE2-CZ 4.08Å; Y744-F771 AromaticContact CZ-CE1 3.81Å; Y744-F771 WeakPolarHBondContact OH-CE1 3.44Å; Y744-W781 HydrophobicContact CD1-CZ3 4.06Å; Y744-W781 HydrophobicContact CE1-CH2 4.24Å; Y744-W781 AromaticContact CE1-CZ3 3.66Å; Y744-W781 HydrophobicContact CE1-CZ3 3.66Å; Y744-L797 HydrophobicContact CD1-CB 4.43Å; Y744-G798 CarbonylContact C-O 3.51Å; Y744-G798 VanDerWaalsContact CA-O 3.25Å; Y744-G798 WeakPolarHBondContact CA-O 3.47Å; Y744-G798 WeakPolarHBondContact CD1-O 3.5Å; Y744-R799 HydrophobicContact CD1-CB 3.99Å; Y744-R799 HydrophobicContact CD1-CG 4.45Å; Y744-R799 HydrophobicContact CE1-CB 3.59Å; Y744-R799 HydrophobicContact CE1-CG 3.94Å; Y744-R799 HydrophobicContact CE2-CG 4.37Å
745	Y	87.9	Confident	65	Low	65 Å²	65	99.4 Å²	99.4	26%	0.255	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	155.3	172.9	66.3	-85.7	0	0	0	110.4	V747 Y763 Q764 L797 G798 M800	Y745-V747 HydrophobicContact CD2-CG2 4.31Å; Y745-V747 HydrophobicContact CE2-CG2 3.7Å; Y745-V747 PolarHBondContact O-N 3.03Å; Y745-Y763 HydrophobicContact CD2-CD1 4.21Å; Y745-Y763 HydrophobicContact CE2-CD1 4.23Å; Y745-Q764 CarbonylContact C-O 3.04Å; Y745-Q764 VanDerWaalsContact CA-O 3.29Å; Y745-Q764 WeakPolarHBondContact CA-O 3.36Å; Y745-L797 WeakPolarHBondContact O-CA 2.79Å; Y745-G798 WeakPolarHBondContact CD1-O 3.28Å; Y745-G798 PolarHBondContact N-O 3.17Å; Y745-G798 PolarHBondContact O-N 3.01Å; Y745-M800 HydrophobicContact CD1-SD 4.35Å
746	A	86.9	Confident	67.7	Low	0 Å²	0	97.2 Å²	97.2	0%	0	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	117.7	173.7	0	0	0	0	0	110.8	Y748 L760 Q761 Y763 Q764 Y796	A746-Y748 VanDerWaalsContact C-N 3.3Å; A746-L760 HydrophobicContact CB-CB 3.98Å; A746-L760 HydrophobicContact CB-CD1 4.1Å; A746-Q761 WeakPolarHBondContact CB-O 3.48Å; A746-Y763 WeakPolarHBondContact O-CA 3.35Å; A746-Y763 PolarHBondContact O-N 2.8Å; A746-Q764 PolarHBondContact N-O 3.05Å; A746-Y796 CarbonylContact C-O 3.55Å; A746-Y796 WeakPolarHBondContact CA-O 3.48Å
747	V	83.9	Confident	70.8	Confident	42 Å²	42	92.9 Å²	92.9	26%	0.255	49%	0.485	S	S	.	.	S	Bend	trans	-78.1	-21.4	173.7	175.5	0	0	0	0	111.1	Y745 Y796	Y745-V747 HydrophobicContact CD2-CG2 4.31Å; Y745-V747 HydrophobicContact CE2-CG2 3.7Å; Y745-V747 PolarHBondContact O-N 3.03Å; V747-Y796 PolarHBondContact N-O 3.29Å
748	Y	75.5	Confident	73.2	Confident	134 Å²	134	86.5 Å²	86.5	53%	0.525	45%	0.446	S	S	.	.	S	Bend	trans	-140.9	147.2	174.2	-54.6	-70	0	0	0	109.7	A746 Y796	A746-Y748 VanDerWaalsContact C-N 3.3Å; Y748-Y796 HydrophobicContact CD2-CD1 4.47Å
749	A	85.3	Confident	76.1	Confident	62 Å²	62	81.3 Å²	81.3	51%	0.512	42%	0.422	S	S	.	.			trans	-62.4	142.6	169.9	0	0	0	0	0	111.5	L760	A749-L760 CarbonylContact C-O 3.22Å; A749-L760 VanDerWaalsContact CA-O 3.28Å; A749-L760 WeakPolarHBondContact CA-O 3.32Å
750	F	87.3	Confident	78.8	Confident	22 Å²	22	78.8 Å²	78.8	10%	0.096	39%	0.394	C	S	.	.	B	Isolated β-bridge	trans	-138.5	126.6	-179	173.4	-107.4	0	0	0	110	E757 L758 S759 L760 W780 V792 P793 Y796	F750-E757 HydrophobicContact CE1-CB 4.24Å; F750-E757 HydrophobicContact CZ-CB 4.44Å; F750-E757 HydrophobicContact CZ-CG 4.42Å; F750-L758 VanDerWaalsContact CD1-O 3.22Å; F750-L758 WeakPolarHBondContact CD1-O 3.3Å; F750-L758 WeakPolarHBondContact CE1-O 3.15Å; F750-S759 CarbonylContact O-C 3.59Å; F750-S759 VanDerWaalsContact O-CA 3.31Å; F750-S759 WeakPolarHBondContact O-CA 3.32Å; F750-L760 PolarHBondContact N-O 3.02Å; F750-L760 PolarHBondContact O-N 3.25Å; F750-W780 HydrophobicContact CE1-CZ3 4.42Å; F750-W780 HydrophobicContact CE2-CH2 4.29Å; F750-W780 AromaticContact CZ-CH2 3.88Å; F750-W780 HydrophobicContact CZ-CH2 3.88Å; F750-W780 AromaticContact CZ-CZ3 3.89Å; F750-W780 HydrophobicContact CZ-CZ3 3.89Å; F750-V792 HydrophobicContact CD1-CB 4.49Å; F750-V792 HydrophobicContact CD1-CG1 4.23Å; F750-V792 HydrophobicContact CE1-CG1 4.35Å; F750-P793 HydrophobicContact CD2-CG 3.96Å; F750-P793 HydrophobicContact CE2-CG 3.75Å; F750-P793 HydrophobicContact CZ-CG 4.14Å; F750-Y796 HydrophobicContact CB-CD1 3.9Å; F750-Y796 HydrophobicContact CB-CE1 4.32Å; F750-Y796 HydrophobicContact CD2-CD1 4.48Å; F750-Y796 HydrophobicContact CD2-CE1 4.42Å
751	Q	89.1	Confident	80.9	Confident	147 Å²	147	78.4 Å²	78.4	69%	0.687	39%	0.387	S	S	*	.			trans	-101.2	122.9	179	-169.8	69.2	43.3	0	0	109.8	S759	Q751-S759 PolarHBondContact NE2-OG 3.28Å
752	A	86.6	Confident	82.6	Confident	26 Å²	26	78.5 Å²	78.5	22%	0.215	38%	0.381	C	S	.	.			trans	-63.7	141.4	174.9	0	0	0	0	0	111.8	E757 S759	A752-E757 HydrophobicContact CB-CB 3.64Å; A752-E757 WeakPolarHBondContact CB-O 3.43Å; A752-S759 WeakPolarHBondContact CB-OG 3.2Å; A752-S759 PolarHBondContact N-OG 3.13Å
753	R	79.6	Confident	83.5	Confident	179 Å²	179	80.5 Å²	80.5	68%	0.675	39%	0.385	S	S	*	.	S	Bend	trans	-112.6	-7.9	-177.4	-57.7	164.6	-65.2	-176.6	6.1	113	E757	R753-E757 WeakPolarHBondContact CB-OE2 3.44Å; R753-E757 IonicContact CZ-OE1 3.94Å; R753-E757 IonicContact CZ-OE2 3.6Å; R753-E757 PolarHBondContact N-OE2 3.22Å; R753-E757 IonicContact NE-OE1 3.16Å; R753-E757 PolarHBondContact NE-OE1 3.05Å; R753-E757 IonicContact NE-OE2 2.75Å; R753-E757 PolarHBondContact NE-OE2 3.22Å; R753-E757 IonicContact NH2-OE1 3.2Å; R753-E757 PolarHBondContact NH2-OE1 3.31Å; R753-E757 IonicContact NH2-OE2 3.98Å
754	C	78.5	Confident	84.2	Confident	67 Å²	67	77.7 Å²	77.7	45%	0.453	37%	0.372	S	S	.	.	S	Bend	trans	-153.1	168.4	171.6	64.8	0	0	0	0	109.9	Q756 E757	C754-Q756 PolarHBondContact O-N 3.14Å; C754-E757 PolarHBondContact O-N 3Å
755	E	74.8	Confident	84.2	Confident	201 Å²	201	82.1 Å²	82.1	94%	0.939	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-8.9	-178.3	-60	173.3	171.3	0	0	114.5
756	Q	81.4	Confident	84.1	Confident	143 Å²	143	79.5 Å²	79.5	67%	0.668	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-9.6	176.7	-63.7	179.5	-11.1	0	0	113.1	C754 G790 Y791	C754-Q756 PolarHBondContact O-N 3.14Å; Q756-G790 CarbonylContact O-C 3.45Å; Q756-G790 WeakPolarHBondContact O-CA 3.42Å; Q756-Y791 WeakPolarHBondContact O-CD2 3.48Å; Q756-Y791 PolarHBondContact O-N 2.93Å
757	E	89.3	Confident	84	Confident	31 Å²	31	86.6 Å²	86.6	15%	0.145	41%	0.41	C	S	.	.	B	Isolated β-bridge	trans	-98	143.3	174.4	-71.1	-179.6	167.3	0	0	110.2	F750 A752 R753 C754 W780 Y791	F750-E757 HydrophobicContact CE1-CB 4.24Å; F750-E757 HydrophobicContact CZ-CB 4.44Å; F750-E757 HydrophobicContact CZ-CG 4.42Å; A752-E757 HydrophobicContact CB-CB 3.64Å; A752-E757 WeakPolarHBondContact CB-O 3.43Å; R753-E757 WeakPolarHBondContact CB-OE2 3.44Å; R753-E757 IonicContact CZ-OE1 3.94Å; R753-E757 IonicContact CZ-OE2 3.6Å; R753-E757 PolarHBondContact N-OE2 3.22Å; R753-E757 IonicContact NE-OE1 3.16Å; R753-E757 PolarHBondContact NE-OE1 3.05Å; R753-E757 IonicContact NE-OE2 2.75Å; R753-E757 PolarHBondContact NE-OE2 3.22Å; R753-E757 IonicContact NH2-OE1 3.2Å; R753-E757 PolarHBondContact NH2-OE1 3.31Å; R753-E757 IonicContact NH2-OE2 3.98Å; C754-E757 PolarHBondContact O-N 3Å; E757-W780 HydrophobicContact CG-CZ3 4.19Å; E757-W780 VanDerWaalsContact OE1-CH2 3.32Å; E757-W780 WeakPolarHBondContact OE1-CH2 3.38Å; E757-Y791 VanDerWaalsContact CA-O 3.3Å; E757-Y791 WeakPolarHBondContact CA-O 3.4Å
758	L	87.5	Confident	84.3	Confident	7 Å²	7	85.5 Å²	85.5	4%	0.037	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-99.2	130.6	175.5	178.8	64.7	0	0	0	110.2	F750 L760 A783 Q788 Y791 V792	F750-L758 VanDerWaalsContact CD1-O 3.22Å; F750-L758 WeakPolarHBondContact CD1-O 3.3Å; F750-L758 WeakPolarHBondContact CE1-O 3.15Å; L758-L760 HydrophobicContact CD2-CD2 4.03Å; L758-L760 HydrophobicContact CG-CD2 4.12Å; L758-A783 HydrophobicContact CD2-CB 4.27Å; L758-Q788 HydrophobicContact CD1-CB 3.68Å; L758-Y791 PolarHBondContact N-O 3.02Å; L758-V792 HydrophobicContact CB-CG1 3.79Å; L758-V792 WeakPolarHBondContact O-CG1 3.26Å
759	S	89.5	Confident	84.7	Confident	46 Å²	46	82.5 Å²	82.5	32%	0.322	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-81.1	136	175	-60.6	0	0	0	0	111	F750 Q751 A752	F750-S759 CarbonylContact O-C 3.59Å; F750-S759 VanDerWaalsContact O-CA 3.31Å; F750-S759 WeakPolarHBondContact O-CA 3.32Å; Q751-S759 PolarHBondContact NE2-OG 3.28Å; A752-S759 WeakPolarHBondContact CB-OG 3.2Å; A752-S759 PolarHBondContact N-OG 3.13Å
760	L	88.6	Confident	84.6	Confident	8 Å²	8	83.1 Å²	83.1	4%	0.042	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-129.7	140.1	-178.8	-59.6	-179.9	0	0	0	111.5	A746 A749 F750 L758 V766 V792 L797	A746-L760 HydrophobicContact CB-CB 3.98Å; A746-L760 HydrophobicContact CB-CD1 4.1Å; A749-L760 CarbonylContact C-O 3.22Å; A749-L760 VanDerWaalsContact CA-O 3.28Å; A749-L760 WeakPolarHBondContact CA-O 3.32Å; F750-L760 PolarHBondContact N-O 3.02Å; F750-L760 PolarHBondContact O-N 3.25Å; L758-L760 HydrophobicContact CD2-CD2 4.03Å; L758-L760 HydrophobicContact CG-CD2 4.12Å; L760-V766 HydrophobicContact CD1-CG1 3.89Å; L760-V766 HydrophobicContact CD2-CG1 3.43Å; L760-V766 VanDerWaalsContact CD2-CG1 3.43Å; L760-V766 HydrophobicContact CG-CG1 4.33Å; L760-V792 HydrophobicContact CD1-CB 4.21Å; L760-V792 HydrophobicContact CD1-CG1 3.86Å; L760-V792 HydrophobicContact CD1-CG2 4.35Å; L760-V792 HydrophobicContact CG-CG1 4.21Å; L760-L797 HydrophobicContact CD1-CD2 3.97Å
761	Q	84.4	Confident	84.5	Confident	147 Å²	147	86.6 Å²	86.6	69%	0.687	40%	0.403	S	S	*	.			trans	-92.4	158.3	167	-62.3	-178	-9.5	0	0	110.6	A746 Y763 Q764	A746-Q761 WeakPolarHBondContact CB-O 3.48Å; Q761-Y763 PolarHBondContact O-N 2.87Å; Q761-Q764 HydrophobicContact CB-CB 4.35Å; Q761-Q764 WeakPolarHBondContact O-CB 3.21Å; Q761-Q764 PolarHBondContact O-N 3.37Å; Q761-Q764 VanDerWaalsContact O-N 3.08Å
762	E	83.8	Confident	84.1	Confident	99 Å²	99	81 Å²	81	46%	0.463	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	137.8	177	-153.2	178.7	133.9	0	0	110.8	Q764	E762-Q764 PolarHBondContact O-N 2.82Å; E762-Q764 VanDerWaalsContact O-N 3.16Å
763	Y	78.8	Confident	84	Confident	147 Å²	147	81.7 Å²	81.7	58%	0.576	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	5	-171.1	-45.5	-77.6	0	0	0	116.4	Y745 A746 Q761 H765	Y745-Y763 HydrophobicContact CD2-CD1 4.21Å; Y745-Y763 HydrophobicContact CE2-CD1 4.23Å; A746-Y763 WeakPolarHBondContact O-CA 3.35Å; A746-Y763 PolarHBondContact O-N 2.8Å; Q761-Y763 PolarHBondContact O-N 2.87Å; Y763-H765 PolarHBondContact O-N 2.82Å; Y763-H765 PolarHBondContact O-ND1 3.32Å; Y763-H765 VanDerWaalsContact O-ND1 3.08Å
764	Q	84.9	Confident	83.8	Confident	41 Å²	41	80.7 Å²	80.7	19%	0.192	39%	0.387	C	S	.	.			trans	-61.4	129.4	172.3	-175.8	174.2	-14.9	0	0	110.5	Y745 A746 Q761 E762 S785	Y745-Q764 CarbonylContact C-O 3.04Å; Y745-Q764 VanDerWaalsContact CA-O 3.29Å; Y745-Q764 WeakPolarHBondContact CA-O 3.36Å; A746-Q764 PolarHBondContact N-O 3.05Å; Q761-Q764 HydrophobicContact CB-CB 4.35Å; Q761-Q764 WeakPolarHBondContact O-CB 3.21Å; Q761-Q764 PolarHBondContact O-N 3.37Å; Q761-Q764 VanDerWaalsContact O-N 3.08Å; E762-Q764 PolarHBondContact O-N 2.82Å; E762-Q764 VanDerWaalsContact O-N 3.16Å; Q764-S785 PolarHBondContact NE2-OG 3Å
765	H	84.3	Confident	83.3	Confident	111 Å²	111	80.9 Å²	80.9	51%	0.514	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	140.7	179.6	-68.7	38.3	0	0	0	111	Y763 S785	Y763-H765 PolarHBondContact O-N 2.82Å; Y763-H765 PolarHBondContact O-ND1 3.32Å; Y763-H765 VanDerWaalsContact O-ND1 3.08Å; H765-S785 PolarHBondContact O-OG 3.31Å
766	V	87.3	Confident	83.1	Confident	9 Å²	9	73.6 Å²	73.6	6%	0.055	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	144.4	-180	-51.4	0	0	0	0	111.1	Y744 L760 I768 A783 E784 L797	Y744-V766 PolarHBondContact N-O 3.38Å; Y744-V766 PolarHBondContact O-N 3.25Å; Y744-V766 VanDerWaalsContact O-O 3.07Å; L760-V766 HydrophobicContact CD1-CG1 3.89Å; L760-V766 HydrophobicContact CD2-CG1 3.43Å; L760-V766 VanDerWaalsContact CD2-CG1 3.43Å; L760-V766 HydrophobicContact CG-CG1 4.33Å; V766-I768 HydrophobicContact CG2-CD1 3.72Å; V766-A783 HydrophobicContact CB-CB 4.36Å; V766-A783 HydrophobicContact CG2-CB 4.5Å; V766-E784 WeakPolarHBondContact CA-O 3.39Å; V766-L797 HydrophobicContact CG2-CD2 3.71Å
767	R	84.4	Confident	82.6	Confident	149 Å²	149	69.7 Å²	69.7	56%	0.562	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	129.7	166.4	-170.4	179.8	-171	-179.7	4.2	108.3	L769 A783 E784	R767-L769 HydrophobicContact CG-CD2 4.48Å; R767-A783 CarbonylContact O-C 3.56Å; R767-A783 WeakPolarHBondContact O-CA 3.37Å; R767-E784 HydrophobicContact CB-CB 4.46Å; R767-E784 PolarHBondContact N-O 3.45Å; R767-E784 PolarHBondContact O-N 3.36Å
768	I	89.3	Confident	82.4	Confident	20 Å²	20	76.3 Å²	76.3	10%	0.103	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	124.8	175.2	-52.5	-54.7	0	0	0	108.9	Y744 V766 F771 W781 A783 L797	Y744-I768 HydrophobicContact CD1-CG1 4.41Å; Y744-I768 HydrophobicContact CD2-CB 4.33Å; Y744-I768 HydrophobicContact CD2-CG1 3.47Å; Y744-I768 VanDerWaalsContact CD2-CG1 3.47Å; Y744-I768 HydrophobicContact CE2-CG1 3.98Å; Y744-I768 HydrophobicContact CG-CD1 4.45Å; Y744-I768 HydrophobicContact CG-CG1 3.73Å; V766-I768 HydrophobicContact CG2-CD1 3.72Å; I768-F771 HydrophobicContact CB-CE1 4.13Å; I768-F771 HydrophobicContact CB-CZ 4.09Å; I768-F771 HydrophobicContact CG1-CE1 4.44Å; I768-F771 HydrophobicContact CG2-CD1 3.88Å; I768-F771 HydrophobicContact CG2-CD2 4.38Å; I768-F771 HydrophobicContact CG2-CE1 3.69Å; I768-F771 HydrophobicContact CG2-CE2 4.22Å; I768-F771 HydrophobicContact CG2-CG 4.22Å; I768-F771 HydrophobicContact CG2-CZ 3.88Å; I768-W781 HydrophobicContact CD1-CE3 4.23Å; I768-W781 HydrophobicContact CG1-CE3 4.17Å; I768-W781 HydrophobicContact CG2-CB 4.17Å; I768-W781 HydrophobicContact CG2-CE3 4.22Å; I768-A783 HydrophobicContact CD1-CB 3.87Å; I768-L797 HydrophobicContact CD1-CD1 3.51Å
769	L	84.4	Confident	82.2	Confident	70 Å²	70	82.4 Å²	82.4	37%	0.366	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-32.6	178.4	-57.4	-177.8	0	0	0	111.4	R767 L782 E784 K789	R767-L769 HydrophobicContact CG-CD2 4.48Å; L769-L782 HydrophobicContact CB-CB 4.4Å; L769-L782 HydrophobicContact CB-CD2 4.17Å; L769-L782 HydrophobicContact CB-CG 4.14Å; L769-L782 HydrophobicContact CD1-CD2 4.37Å; L769-L782 HydrophobicContact CD1-CG 4.34Å; L769-L782 PolarHBondContact N-O 3.18Å; L769-E784 HydrophobicContact CD1-CB 4.04Å; L769-E784 HydrophobicContact CD2-CB 4.47Å; L769-E784 HydrophobicContact CG-CB 4.2Å; L769-K789 HydrophobicContact CD1-CD 3.66Å; L769-K789 HydrophobicContact CD1-CG 4.04Å
770	Q	83.3	Confident	82	Confident	75 Å²	75	83 Å²	83	35%	0.35	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	132.7	178.5	-164.2	173.8	-2.3	0	0	111.6	C772 W781 L782	Q770-C772 WeakPolarHBondContact CG-O 3.14Å; Q770-C772 PolarHBondContact O-N 2.96Å; Q770-W781 CarbonylContact O-C 3.48Å; Q770-W781 VanDerWaalsContact O-CA 3.22Å; Q770-W781 WeakPolarHBondContact O-CA 3.12Å; Q770-W781 WeakPolarHBondContact O-CB 3.38Å; Q770-L782 HydrophobicContact CB-CB 3.89Å; Q770-L782 PolarHBondContact N-O 3.08Å; Q770-L782 PolarHBondContact O-N 3.46Å
771	F	85.9	Confident	82.1	Confident	96 Å²	96	84.8 Å²	84.8	42%	0.421	42%	0.421	S	S	.	.	S	Bend	trans	-85.7	22.2	-179	-64.9	-83.3	0	0	0	114.1	Y744 I768 W781	Y744-F771 HydrophobicContact CE2-CE1 4.09Å; Y744-F771 HydrophobicContact CE2-CZ 4.08Å; Y744-F771 AromaticContact CZ-CE1 3.81Å; Y744-F771 WeakPolarHBondContact OH-CE1 3.44Å; I768-F771 HydrophobicContact CB-CE1 4.13Å; I768-F771 HydrophobicContact CB-CZ 4.09Å; I768-F771 HydrophobicContact CG1-CE1 4.44Å; I768-F771 HydrophobicContact CG2-CD1 3.88Å; I768-F771 HydrophobicContact CG2-CD2 4.38Å; I768-F771 HydrophobicContact CG2-CE1 3.69Å; I768-F771 HydrophobicContact CG2-CE2 4.22Å; I768-F771 HydrophobicContact CG2-CG 4.22Å; I768-F771 HydrophobicContact CG2-CZ 3.88Å; F771-W781 VanDerWaalsContact CA-CD1 3.5Å; F771-W781 AromaticContact CD1-CD2 3.7Å; F771-W781 HydrophobicContact CD1-CD2 3.7Å; F771-W781 AromaticContact CD1-CE2 3.72Å; F771-W781 AromaticContact CD1-CE3 3.76Å; F771-W781 HydrophobicContact CD1-CE3 3.76Å; F771-W781 HydrophobicContact CD1-CG 4.36Å; F771-W781 AromaticContact CD1-CH2 3.95Å; F771-W781 HydrophobicContact CD1-CH2 3.95Å; F771-W781 AromaticContact CD1-CZ2 3.86Å; F771-W781 HydrophobicContact CD1-CZ2 3.86Å; F771-W781 AromaticContact CD1-CZ3 3.89Å; F771-W781 HydrophobicContact CD1-CZ3 3.89Å; F771-W781 HydrophobicContact CE1-CD2 4.39Å; F771-W781 AromaticContact CE1-CE3 3.98Å; F771-W781 HydrophobicContact CE1-CE3 3.98Å; F771-W781 HydrophobicContact CE1-CH2 4.15Å; F771-W781 AromaticContact CE1-CZ3 3.86Å; F771-W781 HydrophobicContact CE1-CZ3 3.86Å; F771-W781 PolarHBondContact O-NE1 2.82Å
772	C	80.3	Confident	82.3	Confident	30 Å²	30	79.3 Å²	79.3	20%	0.203	40%	0.397	C	S	.	.	S	Bend	trans	-159.3	164.3	173.6	50.8	0	0	0	0	110.9	Q770 N777 W780	Q770-C772 WeakPolarHBondContact CG-O 3.14Å; Q770-C772 PolarHBondContact O-N 2.96Å; C772-N777 WeakPolarHBondContact CA-O 3.32Å; C772-W780 CarbonylContact C-O 3.51Å; C772-W780 WeakPolarHBondContact CA-O 3.45Å
773	D	84.1	Confident	82.5	Confident	40 Å²	40	74.6 Å²	74.6	21%	0.214	38%	0.375	C	S	.	.			trans	-80.4	176.1	167	70.6	14	0	0	0	112.8	G775 G776 N777 W780 Y791	D773-G775 PolarHBondContact O-N 2.94Å; D773-G775 VanDerWaalsContact OD1-C 3.31Å; D773-G775 VanDerWaalsContact OD1-CA 3.26Å; D773-G775 WeakPolarHBondContact OD1-CA 3.4Å; D773-G775 PolarHBondContact OD1-N 3.4Å; D773-G776 PolarHBondContact O-N 3.05Å; D773-G776 PolarHBondContact OD1-N 3.08Å; D773-G776 VanDerWaalsContact OD1-N 3.11Å; D773-N777 VanDerWaalsContact CG-CB 3.49Å; D773-N777 PolarHBondContact N-O 2.66Å; D773-N777 VanDerWaalsContact OD1-CB 3.27Å; D773-N777 WeakPolarHBondContact OD1-CB 3.33Å; D773-N777 PolarHBondContact OD1-N 2.88Å; D773-N777 VanDerWaalsContact OD2-CB 3.29Å; D773-N777 WeakPolarHBondContact OD2-CB 3.49Å; D773-W780 HydrophobicContact CB-CB 4.22Å; D773-W780 PolarHBondContact N-O 3.11Å; D773-W780 VanDerWaalsContact N-O 3.14Å; D773-Y791 HydrophobicContact CB-CD1 4.23Å; D773-Y791 HydrophobicContact CB-CE1 4.02Å
774	L	75	Confident	83	Confident	157 Å²	157	69.8 Å²	69.8	82%	0.822	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-15.5	175.9	-61.6	175.1	0	0	0	114
775	G	69	Low	83.1	Confident	72 Å²	72	68.3 Å²	68.3	74%	0.742	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	3.9	174	0	0	0	0	0	114	D773	D773-G775 PolarHBondContact O-N 2.94Å; D773-G775 VanDerWaalsContact OD1-C 3.31Å; D773-G775 VanDerWaalsContact OD1-CA 3.26Å; D773-G775 WeakPolarHBondContact OD1-CA 3.4Å; D773-G775 PolarHBondContact OD1-N 3.4Å
776	G	69.1	Low	82.8	Confident	47 Å²	47	70.3 Å²	70.3	49%	0.485	37%	0.366	S	S	.	.			trans	79.4	11.4	-177.7	0	0	0	0	0	114.7	D773 K778	D773-G776 PolarHBondContact O-N 3.05Å; D773-G776 PolarHBondContact OD1-N 3.08Å; D773-G776 VanDerWaalsContact OD1-N 3.11Å; G776-K778 PolarHBondContact O-N 2.93Å
777	N	72	Confident	82.3	Confident	62 Å²	62	72.9 Å²	72.9	33%	0.332	39%	0.394	S	S	.	.			trans	-76	108.2	-178.9	-176.5	5.3	0	0	0	111.4	C772 D773 Q779 W780	C772-N777 WeakPolarHBondContact CA-O 3.32Å; D773-N777 VanDerWaalsContact CG-CB 3.49Å; D773-N777 PolarHBondContact N-O 2.66Å; D773-N777 VanDerWaalsContact OD1-CB 3.27Å; D773-N777 WeakPolarHBondContact OD1-CB 3.33Å; D773-N777 PolarHBondContact OD1-N 2.88Å; D773-N777 VanDerWaalsContact OD2-CB 3.29Å; D773-N777 WeakPolarHBondContact OD2-CB 3.49Å; N777-Q779 PolarHBondContact O-N 3.04Å; N777-Q779 WeakPolarHBondContact OD1-CB 3.29Å; N777-Q779 PolarHBondContact OD1-N 2.87Å; N777-Q779 VanDerWaalsContact OD1-N 3.13Å; N777-W780 PolarHBondContact O-N 2.87Å
778	K	83.6	Confident	82.1	Confident	169 Å²	169	72.3 Å²	72.3	74%	0.735	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-1.4	180	-58.5	-170.9	178.8	-171.4	0	115	G776 W781	G776-K778 PolarHBondContact O-N 2.93Å; K778-W781 PolarHBondContact O-NE1 3.36Å
779	Q	83.7	Confident	82.1	Confident	136 Å²	136	77.3 Å²	77.3	64%	0.636	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-12.4	175	-62.7	-168.1	-25.7	0	0	114.1	N777 A794	N777-Q779 PolarHBondContact O-N 3.04Å; N777-Q779 WeakPolarHBondContact OD1-CB 3.29Å; N777-Q779 PolarHBondContact OD1-N 2.87Å; N777-Q779 VanDerWaalsContact OD1-N 3.13Å; Q779-A794 WeakPolarHBondContact O-CB 3.44Å; Q779-A794 PolarHBondContact O-N 3.06Å
780	W	86.5	Confident	82.3	Confident	58 Å²	58	74.2 Å²	74.2	22%	0.22	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.2	176.4	-74.6	90.1	0	0	0	109.2	F750 E757 C772 D773 N777 V792 P793	F750-W780 HydrophobicContact CE1-CZ3 4.42Å; F750-W780 HydrophobicContact CE2-CH2 4.29Å; F750-W780 AromaticContact CZ-CH2 3.88Å; F750-W780 HydrophobicContact CZ-CH2 3.88Å; F750-W780 AromaticContact CZ-CZ3 3.89Å; F750-W780 HydrophobicContact CZ-CZ3 3.89Å; E757-W780 HydrophobicContact CG-CZ3 4.19Å; E757-W780 VanDerWaalsContact OE1-CH2 3.32Å; E757-W780 WeakPolarHBondContact OE1-CH2 3.38Å; C772-W780 CarbonylContact C-O 3.51Å; C772-W780 WeakPolarHBondContact CA-O 3.45Å; D773-W780 HydrophobicContact CB-CB 4.22Å; D773-W780 PolarHBondContact N-O 3.11Å; D773-W780 VanDerWaalsContact N-O 3.14Å; N777-W780 PolarHBondContact O-N 2.87Å; W780-V792 WeakPolarHBondContact CA-O 3.45Å; W780-V792 VanDerWaalsContact CE3-C 3.44Å; W780-P793 HydrophobicContact CE3-CG 4.38Å; W780-P793 HydrophobicContact CH2-CG 3.79Å; W780-P793 HydrophobicContact CZ2-CG 4.28Å; W780-P793 HydrophobicContact CZ3-CG 3.85Å
781	W	90.6	Very high	82.6	Confident	45 Å²	45	72.5 Å²	72.5	17%	0.17	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	139.9	-178.9	-63.1	-6.2	0	0	0	109.4	Y744 I768 Q770 F771 K778 A783 Y791 V792 A794 L797	Y744-W781 HydrophobicContact CD1-CZ3 4.06Å; Y744-W781 HydrophobicContact CE1-CH2 4.24Å; Y744-W781 AromaticContact CE1-CZ3 3.66Å; Y744-W781 HydrophobicContact CE1-CZ3 3.66Å; I768-W781 HydrophobicContact CD1-CE3 4.23Å; I768-W781 HydrophobicContact CG1-CE3 4.17Å; I768-W781 HydrophobicContact CG2-CB 4.17Å; I768-W781 HydrophobicContact CG2-CE3 4.22Å; Q770-W781 CarbonylContact O-C 3.48Å; Q770-W781 VanDerWaalsContact O-CA 3.22Å; Q770-W781 WeakPolarHBondContact O-CA 3.12Å; Q770-W781 WeakPolarHBondContact O-CB 3.38Å; F771-W781 VanDerWaalsContact CA-CD1 3.5Å; F771-W781 AromaticContact CD1-CD2 3.7Å; F771-W781 HydrophobicContact CD1-CD2 3.7Å; F771-W781 AromaticContact CD1-CE2 3.72Å; F771-W781 AromaticContact CD1-CE3 3.76Å; F771-W781 HydrophobicContact CD1-CE3 3.76Å; F771-W781 HydrophobicContact CD1-CG 4.36Å; F771-W781 AromaticContact CD1-CH2 3.95Å; F771-W781 HydrophobicContact CD1-CH2 3.95Å; F771-W781 AromaticContact CD1-CZ2 3.86Å; F771-W781 HydrophobicContact CD1-CZ2 3.86Å; F771-W781 AromaticContact CD1-CZ3 3.89Å; F771-W781 HydrophobicContact CD1-CZ3 3.89Å; F771-W781 HydrophobicContact CE1-CD2 4.39Å; F771-W781 AromaticContact CE1-CE3 3.98Å; F771-W781 HydrophobicContact CE1-CE3 3.98Å; F771-W781 HydrophobicContact CE1-CH2 4.15Å; F771-W781 AromaticContact CE1-CZ3 3.86Å; F771-W781 HydrophobicContact CE1-CZ3 3.86Å; F771-W781 PolarHBondContact O-NE1 2.82Å; K778-W781 PolarHBondContact O-NE1 3.36Å; W781-A783 PolarHBondContact O-N 2.9Å; W781-Y791 WeakPolarHBondContact O-CA 3.31Å; W781-V792 PolarHBondContact N-O 3.2Å; W781-V792 PolarHBondContact O-N 3.1Å; W781-A794 HydrophobicContact CD2-CB 3.8Å; W781-A794 HydrophobicContact CG-CB 4.07Å; W781-A794 HydrophobicContact CH2-CB 4.46Å; W781-A794 HydrophobicContact CZ2-CB 3.76Å; W781-L797 HydrophobicContact CD2-CD1 4.42Å; W781-L797 HydrophobicContact CE3-CD1 3.57Å; W781-L797 HydrophobicContact CZ3-CB 4.44Å; W781-L797 HydrophobicContact CZ3-CD1 4.14Å
782	L	87.8	Confident	82.7	Confident	33 Å²	33	67.9 Å²	67.9	17%	0.173	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	114.6	171.6	-174.9	60	0	0	0	108.2	L769 Q770 Y791	L769-L782 HydrophobicContact CB-CB 4.4Å; L769-L782 HydrophobicContact CB-CD2 4.17Å; L769-L782 HydrophobicContact CB-CG 4.14Å; L769-L782 HydrophobicContact CD1-CD2 4.37Å; L769-L782 HydrophobicContact CD1-CG 4.34Å; L769-L782 PolarHBondContact N-O 3.18Å; Q770-L782 HydrophobicContact CB-CB 3.89Å; Q770-L782 PolarHBondContact N-O 3.08Å; Q770-L782 PolarHBondContact O-N 3.46Å; L782-Y791 HydrophobicContact CB-CD1 4.09Å; L782-Y791 HydrophobicContact CB-CE1 3.67Å; L782-Y791 HydrophobicContact CD1-CD1 4.33Å; L782-Y791 HydrophobicContact CD1-CD2 4.44Å; L782-Y791 HydrophobicContact CD1-CE1 4.07Å; L782-Y791 HydrophobicContact CD1-CE2 4.19Å; L782-Y791 HydrophobicContact CD1-CG 4.49Å; L782-Y791 HydrophobicContact CG-CE1 4.37Å
783	A	89.3	Confident	83.1	Confident	0 Å²	0	67 Å²	67	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	154.8	-179.6	0	0	0	0	0	111.3	L758 V766 R767 I768 W781 K789 G790 V792	L758-A783 HydrophobicContact CD2-CB 4.27Å; V766-A783 HydrophobicContact CB-CB 4.36Å; V766-A783 HydrophobicContact CG2-CB 4.5Å; R767-A783 CarbonylContact O-C 3.56Å; R767-A783 WeakPolarHBondContact O-CA 3.37Å; I768-A783 HydrophobicContact CD1-CB 3.87Å; W781-A783 PolarHBondContact O-N 2.9Å; A783-K789 WeakPolarHBondContact O-CA 3.4Å; A783-G790 PolarHBondContact N-O 3.29Å; A783-G790 PolarHBondContact O-N 2.99Å; A783-V792 HydrophobicContact CB-CG1 4.31Å; A783-V792 HydrophobicContact CB-CG2 3.62Å
784	E	88.6	Confident	83.2	Confident	46 Å²	46	65.9 Å²	65.9	22%	0.215	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	132	173.6	-179.7	169.2	-139.2	0	0	109.9	V766 R767 L769 Q788 K789	V766-E784 WeakPolarHBondContact CA-O 3.39Å; R767-E784 HydrophobicContact CB-CB 4.46Å; R767-E784 PolarHBondContact N-O 3.45Å; R767-E784 PolarHBondContact O-N 3.36Å; L769-E784 HydrophobicContact CD1-CB 4.04Å; L769-E784 HydrophobicContact CD2-CB 4.47Å; L769-E784 HydrophobicContact CG-CB 4.2Å; E784-Q788 VanDerWaalsContact CA-O 3.31Å; E784-Q788 WeakPolarHBondContact CA-O 3.22Å; E784-K789 HydrophobicContact CB-CG 4.11Å; E784-K789 HydrophobicContact CG-CG 4.02Å; E784-K789 WeakPolarHBondContact OE1-CE 3.36Å; E784-K789 IonicContact OE1-NZ 2.84Å
785	S	85.9	Confident	83.7	Confident	9 Å²	9	64 Å²	64	6%	0.063	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	135.5	172.1	-163.6	0	0	0	0	109.4	Q764 H765 G787 Q788	Q764-S785 PolarHBondContact NE2-OG 3Å; H765-S785 PolarHBondContact O-OG 3.31Å; S785-G787 PolarHBondContact O-N 3.07Å; S785-G787 VanDerWaalsContact O-N 3.08Å; S785-Q788 PolarHBondContact N-O 3.38Å; S785-Q788 PolarHBondContact O-N 3.44Å
786	N	78.7	Confident	84.3	Confident	154 Å²	154	64.4 Å²	64.4	82%	0.824	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	33.8	-178.2	-58.5	-19.6	0	0	0	114.5	Q788	N786-Q788 VanDerWaalsContact C-N 3.28Å; N786-Q788 PolarHBondContact O-N 3.35Å
787	G	75.9	Confident	85	Confident	63 Å²	63	63.1 Å²	63.1	65%	0.649	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	-2.1	-178.9	0	0	0	0	0	115.7	S785	S785-G787 PolarHBondContact O-N 3.07Å; S785-G787 VanDerWaalsContact O-N 3.08Å
788	Q	81.6	Confident	85.4	Confident	136 Å²	136	60.7 Å²	60.7	64%	0.636	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	139.1	171.5	-64.6	-173.8	0.5	0	0	110.4	L758 E784 S785 N786	L758-Q788 HydrophobicContact CD1-CB 3.68Å; E784-Q788 VanDerWaalsContact CA-O 3.31Å; E784-Q788 WeakPolarHBondContact CA-O 3.22Å; S785-Q788 PolarHBondContact N-O 3.38Å; S785-Q788 PolarHBondContact O-N 3.44Å; N786-Q788 VanDerWaalsContact C-N 3.28Å; N786-Q788 PolarHBondContact O-N 3.35Å
789	K	89.1	Confident	85.3	Confident	126 Å²	126	59.1 Å²	59.1	55%	0.548	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	135.6	-179.1	-64.1	-178.7	178.9	-175.8	0	110.3	L769 A783 E784	L769-K789 HydrophobicContact CD1-CD 3.66Å; L769-K789 HydrophobicContact CD1-CG 4.04Å; A783-K789 WeakPolarHBondContact O-CA 3.4Å; E784-K789 HydrophobicContact CB-CG 4.11Å; E784-K789 HydrophobicContact CG-CG 4.02Å; E784-K789 WeakPolarHBondContact OE1-CE 3.36Å; E784-K789 IonicContact OE1-NZ 2.84Å
790	G	88.4	Confident	84.3	Confident	4 Å²	4	56.5 Å²	56.5	4%	0.041	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.2	166.6	176.4	0	0	0	0	0	112.8	Q756 A783	Q756-G790 CarbonylContact O-C 3.45Å; Q756-G790 WeakPolarHBondContact O-CA 3.42Å; A783-G790 PolarHBondContact N-O 3.29Å; A783-G790 PolarHBondContact O-N 2.99Å
791	Y	89.5	Confident	82.3	Confident	39 Å²	39	58 Å²	58	15%	0.153	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	137.9	-178.9	-68.4	-75.3	0	0	0	111.7	Q756 E757 L758 D773 W781 L782	Q756-Y791 WeakPolarHBondContact O-CD2 3.48Å; Q756-Y791 PolarHBondContact O-N 2.93Å; E757-Y791 VanDerWaalsContact CA-O 3.3Å; E757-Y791 WeakPolarHBondContact CA-O 3.4Å; L758-Y791 PolarHBondContact N-O 3.02Å; D773-Y791 HydrophobicContact CB-CD1 4.23Å; D773-Y791 HydrophobicContact CB-CE1 4.02Å; W781-Y791 WeakPolarHBondContact O-CA 3.31Å; L782-Y791 HydrophobicContact CB-CD1 4.09Å; L782-Y791 HydrophobicContact CB-CE1 3.67Å; L782-Y791 HydrophobicContact CD1-CD1 4.33Å; L782-Y791 HydrophobicContact CD1-CD2 4.44Å; L782-Y791 HydrophobicContact CD1-CE1 4.07Å; L782-Y791 HydrophobicContact CD1-CE2 4.19Å; L782-Y791 HydrophobicContact CD1-CG 4.49Å; L782-Y791 HydrophobicContact CG-CE1 4.37Å
792	V	88	Confident	79.6	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	152.2	177	-58.3	0	0	0	0	110.6	F750 L758 L760 W780 W781 A783 A794 L797	F750-V792 HydrophobicContact CD1-CB 4.49Å; F750-V792 HydrophobicContact CD1-CG1 4.23Å; F750-V792 HydrophobicContact CE1-CG1 4.35Å; L758-V792 HydrophobicContact CB-CG1 3.79Å; L758-V792 WeakPolarHBondContact O-CG1 3.26Å; L760-V792 HydrophobicContact CD1-CB 4.21Å; L760-V792 HydrophobicContact CD1-CG1 3.86Å; L760-V792 HydrophobicContact CD1-CG2 4.35Å; L760-V792 HydrophobicContact CG-CG1 4.21Å; W780-V792 WeakPolarHBondContact CA-O 3.45Å; W780-V792 VanDerWaalsContact CE3-C 3.44Å; W781-V792 PolarHBondContact N-O 3.2Å; W781-V792 PolarHBondContact O-N 3.1Å; A783-V792 HydrophobicContact CB-CG1 4.31Å; A783-V792 HydrophobicContact CB-CG2 3.62Å; V792-A794 PolarHBondContact O-N 3.1Å; V792-L797 HydrophobicContact CG2-CD1 3.67Å; V792-L797 HydrophobicContact CG2-CD2 4.31Å; V792-L797 HydrophobicContact CG2-CG 4.2Å
793	P	88	Confident	76.8	Confident	11 Å²	11	73.6 Å²	73.6	7%	0.071	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	128.6	179.1	-17.8	30.9	0	0	0	111.4	F750 W780 N795 Y796	F750-P793 HydrophobicContact CD2-CG 3.96Å; F750-P793 HydrophobicContact CE2-CG 3.75Å; F750-P793 HydrophobicContact CZ-CG 4.14Å; W780-P793 HydrophobicContact CE3-CG 4.38Å; W780-P793 HydrophobicContact CH2-CG 3.79Å; W780-P793 HydrophobicContact CZ2-CG 4.28Å; W780-P793 HydrophobicContact CZ3-CG 3.85Å; P793-N795 PolarHBondContact O-N 3.14Å; P793-N795 VanDerWaalsContact O-N 3.13Å; P793-Y796 HydrophobicContact CB-CD2 3.7Å; P793-Y796 HydrophobicContact CB-CE2 4.36Å; P793-Y796 HydrophobicContact CB-CG 4.26Å; P793-Y796 HydrophobicContact CG-CD2 4.03Å; P793-Y796 HydrophobicContact CG-CE2 4.45Å; P793-Y796 HydrophobicContact CG-CG 4.35Å; P793-Y796 WeakPolarHBondContact O-CB 3.27Å; P793-Y796 PolarHBondContact O-N 3.24Å
794	A	86.1	Confident	76.2	Confident	17 Å²	17	77.3 Å²	77.3	14%	0.14	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-54.2	-35.5	179.6	0	0	0	0	0	113.1	Q779 W781 V792 Y796 L797	Q779-A794 WeakPolarHBondContact O-CB 3.44Å; Q779-A794 PolarHBondContact O-N 3.06Å; W781-A794 HydrophobicContact CD2-CB 3.8Å; W781-A794 HydrophobicContact CG-CB 4.07Å; W781-A794 HydrophobicContact CH2-CB 4.46Å; W781-A794 HydrophobicContact CZ2-CB 3.76Å; V792-A794 PolarHBondContact O-N 3.1Å; A794-Y796 VanDerWaalsContact C-N 3.27Å; A794-Y796 PolarHBondContact O-N 2.7Å; A794-L797 PolarHBondContact O-N 3.08Å
795	N	85.8	Confident	75.5	Confident	117 Å²	117	78.9 Å²	78.9	63%	0.626	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-82	2.2	-179	71.4	-72.1	0	0	0	114.3	P793	P793-N795 PolarHBondContact O-N 3.14Å; P793-N795 VanDerWaalsContact O-N 3.13Å
796	Y	81.5	Confident	74.9	Confident	80 Å²	80	82.8 Å²	82.8	31%	0.314	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-96.9	-0.9	169.7	-81.3	-121.7	0	0	0	111.5	A746 V747 Y748 F750 P793 A794	A746-Y796 CarbonylContact C-O 3.55Å; A746-Y796 WeakPolarHBondContact CA-O 3.48Å; V747-Y796 PolarHBondContact N-O 3.29Å; Y748-Y796 HydrophobicContact CD2-CD1 4.47Å; F750-Y796 HydrophobicContact CB-CD1 3.9Å; F750-Y796 HydrophobicContact CB-CE1 4.32Å; F750-Y796 HydrophobicContact CD2-CD1 4.48Å; F750-Y796 HydrophobicContact CD2-CE1 4.42Å; P793-Y796 HydrophobicContact CB-CD2 3.7Å; P793-Y796 HydrophobicContact CB-CE2 4.36Å; P793-Y796 HydrophobicContact CB-CG 4.26Å; P793-Y796 HydrophobicContact CG-CD2 4.03Å; P793-Y796 HydrophobicContact CG-CE2 4.45Å; P793-Y796 HydrophobicContact CG-CG 4.35Å; P793-Y796 WeakPolarHBondContact O-CB 3.27Å; P793-Y796 PolarHBondContact O-N 3.24Å; A794-Y796 VanDerWaalsContact C-N 3.27Å; A794-Y796 PolarHBondContact O-N 2.7Å
797	L	84.1	Confident	74.7	Confident	20 Å²	20	78.6 Å²	78.6	11%	0.105	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	136	-175.1	-62.3	174.9	0	0	0	112.1	Y744 Y745 L760 V766 I768 W781 V792 A794	Y744-L797 HydrophobicContact CD1-CB 4.43Å; Y745-L797 WeakPolarHBondContact O-CA 2.79Å; L760-L797 HydrophobicContact CD1-CD2 3.97Å; V766-L797 HydrophobicContact CG2-CD2 3.71Å; I768-L797 HydrophobicContact CD1-CD1 3.51Å; W781-L797 HydrophobicContact CD2-CD1 4.42Å; W781-L797 HydrophobicContact CE3-CD1 3.57Å; W781-L797 HydrophobicContact CZ3-CB 4.44Å; W781-L797 HydrophobicContact CZ3-CD1 4.14Å; V792-L797 HydrophobicContact CG2-CD1 3.67Å; V792-L797 HydrophobicContact CG2-CD2 4.31Å; V792-L797 HydrophobicContact CG2-CG 4.2Å; A794-L797 PolarHBondContact O-N 3.08Å
798	G	80.8	Confident	74.6	Confident	11 Å²	11	79.6 Å²	79.6	11%	0.113	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	137.9	170.9	0	0	0	0	0	109.9	Y744 Y745	Y744-G798 CarbonylContact C-O 3.51Å; Y744-G798 VanDerWaalsContact CA-O 3.25Å; Y744-G798 WeakPolarHBondContact CA-O 3.47Å; Y744-G798 WeakPolarHBondContact CD1-O 3.5Å; Y745-G798 WeakPolarHBondContact CD1-O 3.28Å; Y745-G798 PolarHBondContact N-O 3.17Å; Y745-G798 PolarHBondContact O-N 3.01Å
799	R	80.7	Confident	74.2	Confident	137 Å²	137	75.9 Å²	75.9	52%	0.517	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	134	169.9	-169.6	172	66.8	173.9	3.1	109	Y744 S801	Y744-R799 HydrophobicContact CD1-CB 3.99Å; Y744-R799 HydrophobicContact CD1-CG 4.45Å; Y744-R799 HydrophobicContact CE1-CB 3.59Å; Y744-R799 HydrophobicContact CE1-CG 3.94Å; Y744-R799 HydrophobicContact CE2-CG 4.37Å; R799-S801 PolarHBondContact O-N 3.01Å; R799-S801 VanDerWaalsContact O-N 3.12Å
800	M	64	Low	73.1	Confident	81 Å²	81	72.3 Å²	72.3	40%	0.399	39%	0.39	S	S	.	.			trans	-72.6	101.7	171.6	-164.1	94.9	82.2	0	0	108.9	Q743 Y745	Q743-M800 HydrophobicContact CB-CB 4.34Å; Q743-M800 WeakPolarHBondContact O-CB 3.36Å; Q743-M800 PolarHBondContact O-N 2.63Å; Y745-M800 HydrophobicContact CD1-SD 4.35Å
801	S	44.6	Very low	71.9	Confident	88 Å²	88	77.5 Å²	77.5	62%	0.615	42%	0.417	S	S	*	.			trans	-115.2	86.8	177.8	60.8	0	0	0	0	111.1	R799	R799-S801 PolarHBondContact O-N 3.01Å; R799-S801 VanDerWaalsContact O-N 3.12Å
802	Y	33.7	Very low	70.5	Confident	230 Å²	230	80.8 Å²	80.8	90%	0.902	44%	0.439	S	S	*	.			trans	-137.5	104	164.9	-92.2	-75	0	0	0	110
803	A	28.3	Very low	68.9	Low	177 Å²	177	88.1 Å²	88.1	100%	1.463	48%	0.479	S	S	*	.			trans	-136.3	0	148	0	0	0	0	0	105.3

Retrieved 803 of 803 residues in 534 ms (Link to these results)

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