A0A087Y623_POEFO Loading...

AMP deaminase

AMP deaminase plays a critical role in energy metabolism. Catalyzes the deamination of AMP to IMP and plays an important role in the purine nucleotide cycle.

AlphaFold DB , UniProt , Accession A0A087Y623, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 835 aa.

						>A0A087Y623_POEFO|A0A087Y623
MSSNVPSGTAAGGSGVKNKPLSPFKKRGSLQYTASTVELRGPRRLLTSQHSLPGIPVALKQSIDLRTSMDGKYKEIAEELFSRSLAESEMRSAPYEFPEDSPIEQLEEKRHRLERQISQDVKFEPDILLRAKQEFMKTDSATDLEFMKEQSQAPNQQERDVVPEREYQRVTISGEEKCGVPFTDLLDAAKCVVKALFIRQKYMGLSLQSFYRTTARYLQELSERPLYLDIYEEEEELAETTETSVTADATVHPPTSDTHPYENQDPASMAPDVGYGCKMVNGVMHVYTSRDVMEKSTELDLPYPDLQEYIADMNVMMALIINGPVKSFCYRRLQYLSSKFQMHILLNEMKELAAQKKVPHRDFYNIRKVDTHIHASSCMNQKHLLRFIKRAMKKYPKEIVHVEKGKGQTLMEVFESMNLTAFDLSVDTLDMHADRNTFHRFDKFNAKYNPIGESILREIFIKTDNYIEGKYFGHIIKEVMADLEESKYQNVELRLSIYGRSRNEWDKLAKWAVRHQVYSNNVRWLVQVPRLFDVYHTKRQLSNFQEMLENVFRPLFEVTINPGSHPELHLFLQHVVGFDSVDDESKPEQHIFNLDSPLPANWTEEDNPPYSYYLYYMYANMTVLNHLRRQCGFHTLVLRPHCGEAGPIHHLVSGFMLSENISHGLLLRKAPVLQYLYYLAQIGIAMSPLSNNSLFLSYHRNPLPEYLSRGLMVSLSTDDPLQFHFTKEPLMEEYSIAAQVWKLSSCDMCELARNSVLMSGFSHKMKSYWLGPDYIAEGQESNDIRRTNVPDIRVAYRYETMCEELNLITQAIRTDELETTEGEGALCMGAVQAEK
					

Structure Viewer

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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	34.3	Very low	33.2	Very low	242 Å²	242	125.2 Å²	125.2	100%	1.192	82%	0.824	S	S	*	*				0	141.1	0	-79.4	174.2	166.8	0	0	108.3
2	S	28.8	Very low	32.7	Very low	114 Å²	114	122.1 Å²	122.1	80%	0.797	83%	0.831	S	S	*	*			trans	-12.9	149	161.3	-48.1	0	0	0	0	117.7
3	S	32.1	Very low	32.3	Very low	90 Å²	90	119.2 Å²	119.2	63%	0.629	84%	0.835	S	S	*	*			cis	151.7	146	-12.5	52.8	0	0	0	0	107
4	N	32.4	Very low	32.1	Very low	158 Å²	158	120.1 Å²	120.1	85%	0.845	84%	0.841	S	S	*	*			trans	76.5	135.3	154.3	-63.3	-6.4	0	0	0	122
5	V	34.9	Very low	31.9	Very low	132 Å²	132	117.1 Å²	117.1	80%	0.8	84%	0.837	S	S	*	*			trans	-75.2	167.8	165.4	-150.8	0	0	0	0	110.2
6	P	48.4	Very low	31.9	Very low	111 Å²	111	118.4 Å²	118.4	72%	0.721	84%	0.837	S	S	*	*				-151.4	158.6	95.9	38.4	-20.3	0	0	0	117.9
7	S	33.2	Very low	31.9	Very low	114 Å²	114	123.4 Å²	123.4	80%	0.797	84%	0.839	S	S	*	*			trans	34.6	116.6	150.6	59.6	0	0	0	0	120.9
8	G	29.4	Very low	31.8	Very low	71 Å²	71	125.1 Å²	125.1	73%	0.732	84%	0.838	S	S	*	*				134.6	174	85.4	0	0	0	0	0	111.1
9	T	29.5	Very low	31.7	Very low	139 Å²	139	128.9 Å²	128.9	85%	0.853	84%	0.839	S	S	*	*			cis	-162.5	148.7	-9	35.6	0	0	0	0	110
10	A	31	Very low	31.9	Very low	104 Å²	104	129 Å²	129	86%	0.86	84%	0.84	S	S	*	*			trans	30.3	132.2	159.5	0	0	0	0	0	121.4
11	A	30.9	Very low	31.8	Very low	102 Å²	102	130.9 Å²	130.9	84%	0.843	84%	0.842	S	S	*	*				-174.7	156	61.6	0	0	0	0	0	115.1
12	G	28.2	Very low	31.6	Very low	88 Å²	88	124.2 Å²	124.2	91%	0.907	82%	0.819	S	S	*	*			trans	11.6	142.2	161.3	0	0	0	0	0	125.5
13	G	27.1	Very low	32.1	Very low	85 Å²	85	124.6 Å²	124.6	88%	0.876	82%	0.819	S	S	*	*			trans	166.2	109.4	159.4	0	0	0	0	0	114.6
14	S	29.3	Very low	32	Very low	132 Å²	132	130.2 Å²	130.2	92%	0.923	83%	0.832	S	S	*	*			trans	-86.8	144.6	175.6	48.3	0	0	0	0	112.4
15	G	29	Very low	31.8	Very low	75 Å²	75	132.8 Å²	132.8	77%	0.773	84%	0.836	S	S	*	*			trans	-176.9	102.8	178.6	0	0	0	0	0	115.7
16	V	31.3	Very low	31.5	Very low	138 Å²	138	136.2 Å²	136.2	84%	0.836	84%	0.84	S	S	*	*			trans	-49.5	140	174.7	177.9	0	0	0	0	113.4
17	K	32.5	Very low	30.5	Very low	203 Å²	203	143 Å²	143	88%	0.883	85%	0.851	S	S	*	*			trans	-109.3	129	166.1	-78.6	-171.9	175.9	-179	0	111.7
18	N	29.5	Very low	30.1	Very low	154 Å²	154	141.6 Å²	141.6	82%	0.824	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-85	153.3	179.5	-80.1	-28.2	0	0	0	113.3
19	K	31	Very low	30	Very low	197 Å²	197	143.7 Å²	143.7	86%	0.857	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-75.8	149	163.5	-63.2	177.6	176.6	-178.8	0	110.8
20	P	35.5	Very low	29.8	Very low	130 Å²	130	145.3 Å²	145.3	84%	0.844	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-86.9	145.8	162.1	33	-29.1	0	0	0	111.8
21	L	29.5	Very low	29.5	Very low	170 Å²	170	149 Å²	149	89%	0.89	86%	0.86	S	S	*	*			trans	-104.7	146.6	177.2	-86.8	141.3	0	0	0	111
22	S	30.8	Very low	29.3	Very low	101 Å²	101	154.7 Å²	154.7	71%	0.706	86%	0.861	S	S	*	*			trans	-80.6	161.1	163.7	59.9	0	0	0	0	111.7
23	P	39.3	Very low	29.1	Very low	123 Å²	123	156.2 Å²	156.2	80%	0.799	85%	0.853	S	S	*	*			trans	-132.5	124.2	153.2	33.6	-19.1	0	0	0	113.8
24	F	28.7	Very low	29	Very low	208 Å²	208	157 Å²	157	91%	0.912	85%	0.851	S	S	*	*			trans	-68.2	150.6	159.6	-93.6	-96.6	0	0	0	111.3
25	K	28.3	Very low	28.7	Very low	212 Å²	212	156.4 Å²	156.4	92%	0.922	85%	0.848	S	S	*	*			trans	-134.9	145.6	157.4	-89	-172.3	174.7	179.1	0	111.6
26	K	28.4	Very low	28.4	Very low	203 Å²	203	159.4 Å²	159.4	88%	0.883	85%	0.851	S	S	*	*			trans	-96.2	149.3	-173.1	-79.4	176.9	171.4	175.4	0	113
27	R	28.8	Very low	28.1	Very low	254 Å²	254	159.7 Å²	159.7	96%	0.958	85%	0.852	S	S	*	*			trans	31.1	127.9	146.2	-70.7	-175.1	172.8	177.9	-2.8	120
28	G	25.4	Very low	27.6	Very low	84 Å²	84	157.5 Å²	157.5	87%	0.866	85%	0.846	S	S	*	*			trans	-135.5	136.9	148.8	0	0	0	0	0	109.6
29	S	25.3	Very low	27.4	Very low	115 Å²	115	155.6 Å²	155.6	80%	0.804	84%	0.835	S	S	*	*			trans	-103.9	139.6	-176.6	52.7	0	0	0	0	112
30	L	26.5	Very low	27	Very low	174 Å²	174	157.2 Å²	157.2	91%	0.911	84%	0.835	S	S	*	*			trans	-139.5	121.8	162.5	-82.1	172	0	0	0	110.6
31	Q	23.5	Very low	26.3	Very low	182 Å²	182	154.5 Å²	154.5	85%	0.85	83%	0.831	S	S	*	*			trans	-85.9	149.2	160.2	-62.7	169.3	-50.9	0	0	108.1
32	Y	26.6	Very low	26.1	Very low	220 Å²	220	152.6 Å²	152.6	86%	0.863	83%	0.829	S	S	*	*			trans	-151.7	145.3	143.4	-115.4	-79.4	0	0	0	112.6
33	T	24.2	Very low	25.9	Very low	120 Å²	120	159.7 Å²	159.7	74%	0.736	84%	0.84	S	S	*	*			trans	-49.8	155.5	-169.8	53.8	0	0	0	0	119.3
34	A	25.2	Very low	25.1	Very low	101 Å²	101	164.8 Å²	164.8	84%	0.835	84%	0.843	S	S	*	*			trans	-76.5	157.1	162.9	0	0	0	0	0	113.5
35	S	23.6	Very low	24.8	Very low	121 Å²	121	162 Å²	162	85%	0.846	84%	0.837	S	S	*	*			trans	-151.7	150.8	158.1	59.3	0	0	0	0	111.6
36	T	23	Very low	24.7	Very low	137 Å²	137	160.1 Å²	160.1	84%	0.84	84%	0.836	S	S	*	*			trans	-108.4	143.7	-168.3	42.8	0	0	0	0	112.7
37	V	25	Very low	24.5	Very low	144 Å²	144	157 Å²	157	87%	0.873	83%	0.834	S	S	*	*			trans	-145.6	142.2	167.4	-179.6	0	0	0	0	112.7
38	E	22	Very low	24.2	Very low	158 Å²	158	148.9 Å²	148.9	74%	0.738	82%	0.816	S	S	*	*			trans	-120.2	166.1	176.8	-91.5	-161.4	124.4	0	0	110.4
39	L	24.4	Very low	24.2	Very low	113 Å²	113	153.8 Å²	153.8	59%	0.592	82%	0.817	S	S	*	*			cis	-159	162	9.3	-119.8	157.7	0	0	0	109.8
40	R	22.2	Very low	24.4	Very low	231 Å²	231	156.2 Å²	156.2	87%	0.872	82%	0.815	S	S	*	*			trans	64.6	123.8	152.5	-77.4	162.5	-171.3	-157.1	4.4	121.6
41	G	20.7	Very low	24.5	Very low	73 Å²	73	152.6 Å²	152.6	75%	0.753	81%	0.805	S	S	*	*			trans	167.6	129	153.1	0	0	0	0	0	112.7
42	P	27.3	Very low	24.7	Very low	130 Å²	130	151.5 Å²	151.5	84%	0.844	80%	0.804	S	S	*	*			trans	-103.7	148.7	-154.4	37.6	-35.1	0	0	0	116.5
43	R	25.3	Very low	24.7	Very low	250 Å²	250	146.9 Å²	146.9	94%	0.943	80%	0.8	S	S	*	*			trans	-150.9	125.3	151.5	-109.7	172.8	-172.8	-169.2	-0.1	112.7
44	R	22.5	Very low	24.8	Very low	231 Å²	231	144.2 Å²	144.2	87%	0.872	80%	0.797	S	S	*	*			trans	-71.3	162.4	160.7	-65.8	176.1	178.4	-168.2	-1.3	108.9
45	L	23	Very low	25	Very low	150 Å²	150	145.5 Å²	145.5	79%	0.785	79%	0.789	S	S	*	*			cis	-157.5	127.2	-9.4	-118.8	160.4	0	0	0	103.8
46	L	25.4	Very low	25.3	Very low	171 Å²	171	144.6 Å²	144.6	90%	0.895	78%	0.78	S	S	*	*			trans	-105.2	136.6	167.6	-84.4	166	0	0	0	108.3
47	T	24.6	Very low	25.9	Very low	138 Å²	138	141.8 Å²	141.8	85%	0.847	76%	0.762	S	S	*	*			trans	-64.8	137.2	-178.8	35.7	0	0	0	0	111	Q49	T47-Q49 PolarHBondContact O-N 3.18Å
48	S	22.9	Very low	26.2	Very low	83 Å²	83	137.4 Å²	137.4	58%	0.58	74%	0.742	S	S	*	*			trans	-71	120.6	-177.7	37.5	0	0	0	0	111.6	H50	S48-H50 WeakPolarHBondContact CB-NE2 3.35Å; S48-H50 PolarHBondContact O-N 2.97Å; S48-H50 PolarHBondContact OG-CD2 3.22Å; S48-H50 VanDerWaalsContact OG-CD2 3.32Å; S48-H50 PolarHBondContact OG-NE2 2.91Å
49	Q	25.9	Very low	26.9	Very low	187 Å²	187	136.1 Å²	136.1	87%	0.874	74%	0.739	S	S	*	*			trans	-69.9	111.1	152.8	-72.8	-179.8	-42.3	0	0	107.1	T47 S51	T47-Q49 PolarHBondContact O-N 3.18Å; Q49-S51 VanDerWaalsContact C-N 3.35Å; Q49-S51 PolarHBondContact O-N 3.28Å
50	H	29.1	Very low	27.5	Very low	167 Å²	167	140 Å²	140	77%	0.773	75%	0.751	S	S	*	*			trans	-91.9	74	172.1	-76	-66.3	0	0	0	109.8	S48	S48-H50 WeakPolarHBondContact CB-NE2 3.35Å; S48-H50 PolarHBondContact O-N 2.97Å; S48-H50 PolarHBondContact OG-CD2 3.22Å; S48-H50 VanDerWaalsContact OG-CD2 3.32Å; S48-H50 PolarHBondContact OG-NE2 2.91Å
51	S	28.4	Very low	28.6	Very low	98 Å²	98	132.8 Å²	132.8	69%	0.685	73%	0.727	S	S	*	*			trans	-68.7	143.4	150.2	47.5	0	0	0	0	108.7	Q49	Q49-S51 VanDerWaalsContact C-N 3.35Å; Q49-S51 PolarHBondContact O-N 3.28Å
52	L	27.2	Very low	30.1	Very low	158 Å²	158	131.8 Å²	131.8	83%	0.827	71%	0.709	S	S	*	*			trans	-60.9	139.9	153.4	-72	168	0	0	0	107.3	G54	L52-G54 PolarHBondContact O-N 3.13Å
53	P	27.2	Very low	31.8	Very low	123 Å²	123	126.3 Å²	126.3	80%	0.799	67%	0.672	S	S	*	*			trans	-71.1	78.1	169.3	29.3	-32.8	0	0	0	109.2	I55	P53-I55 PolarHBondContact O-N 2.94Å
54	G	26.2	Very low	34.1	Very low	65 Å²	65	117.4 Å²	117.4	67%	0.67	64%	0.643	S	S	*	*			trans	-76.4	114.6	-176.3	0	0	0	0	0	112.1	L52	L52-G54 PolarHBondContact O-N 3.13Å
55	I	29.5	Very low	36.7	Very low	127 Å²	127	106.9 Å²	106.9	65%	0.651	60%	0.604	S	S	*	*			trans	-79.1	135.3	175.2	-61.7	168.3	0	0	0	108.2	P53 V57 A58	P53-I55 PolarHBondContact O-N 2.94Å; I55-V57 PolarHBondContact O-N 3.11Å; I55-A58 HydrophobicContact CB-CB 4.16Å; I55-A58 HydrophobicContact CG2-CB 3.65Å
56	P	29.9	Very low	39.2	Very low	102 Å²	102	107.9 Å²	107.9	66%	0.662	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	123.7	179.6	24.7	-34.8	0	0	0	111.2	A58	P56-A58 VanDerWaalsContact C-N 3.29Å; P56-A58 PolarHBondContact O-N 2.8Å
57	V	35.6	Very low	41.7	Very low	78 Å²	78	100.6 Å²	100.6	47%	0.473	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	41.7	53.2	177.4	-163.8	0	0	0	0	112.8	I55	I55-V57 PolarHBondContact O-N 3.11Å
58	A	30.7	Very low	43.9	Very low	53 Å²	53	97.9 Å²	97.9	44%	0.438	55%	0.547	S	S	.	.			trans	-136.8	51.4	170.2	0	0	0	0	0	111.8	I55 P56 K60	I55-A58 HydrophobicContact CB-CB 4.16Å; I55-A58 HydrophobicContact CG2-CB 3.65Å; P56-A58 VanDerWaalsContact C-N 3.29Å; P56-A58 PolarHBondContact O-N 2.8Å; A58-K60 PolarHBondContact O-N 3.48Å
59	L	38	Very low	46.5	Very low	130 Å²	130	94.3 Å²	94.3	68%	0.681	52%	0.521	S	S	*	.	S	Bend	trans	-47.7	129.6	134	-82	164.2	0	0	0	106	Q61	L59-Q61 PolarHBondContact O-N 3.44Å
60	K	36	Very low	49	Very low	194 Å²	194	88.3 Å²	88.3	84%	0.843	50%	0.495	S	S	*	.			trans	-66.7	79.7	177	-79.3	-173.9	171.8	-173.5	0	109.7	A58	A58-K60 PolarHBondContact O-N 3.48Å
61	Q	46.3	Very low	51.2	Low	81 Å²	81	84.1 Å²	84.1	38%	0.379	50%	0.497	S	S	.	.			trans	-65.1	127.7	159.8	-67.9	175.7	-25.8	0	0	106.2	L59 I63	L59-Q61 PolarHBondContact O-N 3.44Å; Q61-I63 PolarHBondContact O-N 3.21Å
62	S	52.1	Low	53.6	Low	52 Å²	52	84.7 Å²	84.7	36%	0.364	49%	0.487	S	S	.	.	S	Bend	trans	-65.8	-23.3	173	43.3	0	0	0	0	112.2	E223	S62-E223 WeakPolarHBondContact CB-OE1 3.46Å; S62-E223 WeakPolarHBondContact OG-CG 3.35Å; S62-E223 PolarHBondContact OG-N 3.2Å
63	I	62.1	Low	56.3	Low	14 Å²	14	78.3 Å²	78.3	7%	0.072	45%	0.453	C	S	.	.	S	Bend	trans	-88.6	138.1	-173.7	-43.9	171	0	0	0	111.4	Q61 L65 L221 I812 E816	Q61-I63 PolarHBondContact O-N 3.21Å; I63-L65 HydrophobicContact CB-CG 4.37Å; I63-L65 HydrophobicContact CG2-CD2 3.8Å; I63-L65 HydrophobicContact CG2-CG 4.05Å; I63-L65 PolarHBondContact O-N 2.78Å; I63-L65 VanDerWaalsContact O-N 3.13Å; I63-L221 HydrophobicContact CD1-CB 3.53Å; I63-L221 HydrophobicContact CD1-CG 4.43Å; I63-L221 WeakPolarHBondContact CD1-O 3.43Å; I63-L221 WeakPolarHBondContact CG1-O 3.43Å; I63-I812 HydrophobicContact CG2-CG2 3.6Å; I63-E816 WeakPolarHBondContact CG2-OE1 3.27Å
64	D	73.1	Confident	58.6	Low	64 Å²	64	78 Å²	78	34%	0.342	44%	0.438	S	S	.	.			trans	-82	85.5	168.5	-167.7	4.9	0	0	0	113.1	R66 K190	D64-R66 VanDerWaalsContact CG-NE 3.29Å; D64-R66 PolarHBondContact O-N 3.48Å; D64-R66 WeakPolarHBondContact OD1-CB 3.45Å; D64-R66 WeakPolarHBondContact OD1-CD 3.46Å; D64-R66 WeakPolarHBondContact OD1-CG 3.4Å; D64-R66 IonicContact OD1-CZ 3.28Å; D64-R66 PolarHBondContact OD1-N 2.73Å; D64-R66 IonicContact OD1-NE 3.09Å; D64-R66 PolarHBondContact OD1-NE 3.25Å; D64-R66 IonicContact OD1-NH2 2.66Å; D64-R66 IonicContact OD2-CZ 3.79Å; D64-R66 VanDerWaalsContact OD2-CZ 3.28Å; D64-R66 IonicContact OD2-NE 3.87Å; D64-R66 PolarHBondContact OD2-NE 2.59Å; D64-R66 VanDerWaalsContact OD2-NE 3.09Å; D64-R66 IonicContact OD2-NH2 3.75Å; D64-R66 PolarHBondContact OD2-NH2 3.33Å; D64-K190 WeakPolarHBondContact O-CD 3.48Å; D64-K190 WeakPolarHBondContact O-CE 3.5Å; D64-K190 PolarHBondContact O-NZ 3.29Å
65	L	77.1	Confident	61.1	Low	9 Å²	9	81.3 Å²	81.3	5%	0.047	44%	0.436	C	S	.	.			trans	-82.4	21.5	170.6	-60.6	-178.3	0	0	0	113.7	I63 K190 V193 F197 I812	I63-L65 HydrophobicContact CB-CG 4.37Å; I63-L65 HydrophobicContact CG2-CD2 3.8Å; I63-L65 HydrophobicContact CG2-CG 4.05Å; I63-L65 PolarHBondContact O-N 2.78Å; I63-L65 VanDerWaalsContact O-N 3.13Å; L65-K190 HydrophobicContact CD2-CB 4.42Å; L65-K190 HydrophobicContact CD2-CG 4.24Å; L65-V193 HydrophobicContact CD1-CG1 4.3Å; L65-V193 HydrophobicContact CD2-CG1 4.24Å; L65-F197 HydrophobicContact CD1-CD2 3.9Å; L65-F197 HydrophobicContact CD1-CE2 4.03Å; L65-I812 HydrophobicContact CD2-CD1 3.98Å
66	R	76.3	Confident	63.4	Low	172 Å²	172	76.9 Å²	76.9	65%	0.649	41%	0.414	S	S	*	.			trans	-69.1	146	172.4	-69	176.1	-67.7	-175.7	-0.1	111.1	D64 D70 K190	D64-R66 VanDerWaalsContact CG-NE 3.29Å; D64-R66 PolarHBondContact O-N 3.48Å; D64-R66 WeakPolarHBondContact OD1-CB 3.45Å; D64-R66 WeakPolarHBondContact OD1-CD 3.46Å; D64-R66 WeakPolarHBondContact OD1-CG 3.4Å; D64-R66 IonicContact OD1-CZ 3.28Å; D64-R66 PolarHBondContact OD1-N 2.73Å; D64-R66 IonicContact OD1-NE 3.09Å; D64-R66 PolarHBondContact OD1-NE 3.25Å; D64-R66 IonicContact OD1-NH2 2.66Å; D64-R66 IonicContact OD2-CZ 3.79Å; D64-R66 VanDerWaalsContact OD2-CZ 3.28Å; D64-R66 IonicContact OD2-NE 3.87Å; D64-R66 PolarHBondContact OD2-NE 2.59Å; D64-R66 VanDerWaalsContact OD2-NE 3.09Å; D64-R66 IonicContact OD2-NH2 3.75Å; D64-R66 PolarHBondContact OD2-NH2 3.33Å; R66-D70 WeakPolarHBondContact CA-OD2 3.49Å; R66-K190 WeakPolarHBondContact O-CD 3.45Å
67	T	77.4	Confident	65.6	Low	17 Å²	17	72 Å²	72	10%	0.104	38%	0.382	C	S	.	.			trans	-137.2	165.8	-174.3	64	0	0	0	0	109.7	M69 D70 Y73 K190	T67-M69 PolarHBondContact O-N 2.67Å; T67-M69 PolarHBondContact OG1-N 2.73Å; T67-D70 PolarHBondContact N-OD2 3.15Å; T67-D70 PolarHBondContact O-N 2.82Å; T67-D70 PolarHBondContact OG1-OD2 2.86Å; T67-Y73 PolarHBondContact OG1-OH 3.35Å; T67-K190 HydrophobicContact CG2-CB 4.03Å
68	S	71.2	Confident	67.7	Low	81 Å²	81	72.5 Å²	72.5	57%	0.566	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-8	174.3	54.7	0	0	0	0	115.5
69	M	77.9	Confident	69.8	Low	9 Å²	9	74.4 Å²	74.4	4%	0.044	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-13.1	179.4	-68.3	-179.4	-76.5	0	0	114.8	T67 G71 K72 Y73 I76 C191 L319 N322	T67-M69 PolarHBondContact O-N 2.67Å; T67-M69 PolarHBondContact OG1-N 2.73Å; M69-G71 PolarHBondContact O-N 3.13Å; M69-K72 WeakPolarHBondContact O-CB 3.4Å; M69-K72 PolarHBondContact O-N 2.94Å; M69-Y73 HydrophobicContact CB-CD1 4.1Å; M69-Y73 HydrophobicContact CB-CE1 3.48Å; M69-Y73 VanDerWaalsContact CB-CE1 3.48Å; M69-I76 HydrophobicContact CB-CD1 4.37Å; M69-I76 HydrophobicContact CG-CD1 4.19Å; M69-C191 WeakPolarHBondContact CE-SG 3.3Å; M69-L319 HydrophobicContact CE-CD2 3.46Å; M69-L319 VanDerWaalsContact CE-CD2 3.46Å; M69-L319 HydrophobicContact SD-CD2 4.45Å; M69-N322 HydrophobicContact CE-CB 4.15Å; M69-N322 WeakPolarHBondContact CE-ND2 3.29Å; M69-N322 HydrophobicContact SD-CB 3.82Å; M69-N322 PolarHBondContact SD-ND2 2.95Å
70	D	77.2	Confident	71.3	Confident	60 Å²	60	69.3 Å²	69.3	32%	0.321	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	136.5	-176	-75	-80.5	0	0	0	111.8	R66 T67 K72 Y73 K194	R66-D70 WeakPolarHBondContact CA-OD2 3.49Å; T67-D70 PolarHBondContact N-OD2 3.15Å; T67-D70 PolarHBondContact O-N 2.82Å; T67-D70 PolarHBondContact OG1-OD2 2.86Å; D70-K72 VanDerWaalsContact C-N 3.32Å; D70-Y73 HydrophobicContact CB-CE2 4.38Å; D70-Y73 VanDerWaalsContact CG-OH 3.25Å; D70-Y73 VanDerWaalsContact OD1-CE2 3.25Å; D70-Y73 WeakPolarHBondContact OD1-CE2 3.48Å; D70-Y73 PolarHBondContact OD1-OH 3.16Å; D70-Y73 VanDerWaalsContact OD1-OH 3.04Å; D70-Y73 PolarHBondContact OD2-OH 3.46Å; D70-K194 IonicContact OD1-NZ 3.67Å; D70-K194 PolarHBondContact OD1-NZ 3.38Å; D70-K194 IonicContact OD2-NZ 3.41Å
71	G	75.4	Confident	72.8	Confident	80 Å²	80	60.6 Å²	60.6	83%	0.825	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	-6.9	-171.7	0	0	0	0	0	115.8	M69	M69-G71 PolarHBondContact O-N 3.13Å
72	K	80.4	Confident	73.9	Confident	110 Å²	110	60.1 Å²	60.1	48%	0.478	32%	0.32	S	S	.	.			trans	-116.2	-3.3	-178.6	-61.8	173.4	-173.9	161.1	0	114.9	M69 D70 K74 E75 I76	M69-K72 WeakPolarHBondContact O-CB 3.4Å; M69-K72 PolarHBondContact O-N 2.94Å; D70-K72 VanDerWaalsContact C-N 3.32Å; K72-K74 VanDerWaalsContact C-N 3.28Å; K72-K74 PolarHBondContact O-N 2.92Å; K72-K74 VanDerWaalsContact O-N 3.13Å; K72-E75 PolarHBondContact O-N 3.09Å; K72-E75 VanDerWaalsContact O-N 3.08Å; K72-I76 HydrophobicContact CB-CD1 3.75Å; K72-I76 HydrophobicContact CB-CG1 4.2Å; K72-I76 WeakPolarHBondContact O-CG1 3.49Å; K72-I76 PolarHBondContact O-N 3.23Å; K72-I76 VanDerWaalsContact O-N 3.08Å
73	Y	82.2	Confident	74.7	Confident	24 Å²	24	63.9 Å²	63.9	9%	0.094	33%	0.326	C	S	.	.	H	α-helix	trans	-51.4	-41.1	-172.7	-62.1	-56.8	0	0	0	114.6	T67 M69 D70 I76 A77 K194 V315 A318	T67-Y73 PolarHBondContact OG1-OH 3.35Å; M69-Y73 HydrophobicContact CB-CD1 4.1Å; M69-Y73 HydrophobicContact CB-CE1 3.48Å; M69-Y73 VanDerWaalsContact CB-CE1 3.48Å; D70-Y73 HydrophobicContact CB-CE2 4.38Å; D70-Y73 VanDerWaalsContact CG-OH 3.25Å; D70-Y73 VanDerWaalsContact OD1-CE2 3.25Å; D70-Y73 WeakPolarHBondContact OD1-CE2 3.48Å; D70-Y73 PolarHBondContact OD1-OH 3.16Å; D70-Y73 VanDerWaalsContact OD1-OH 3.04Å; D70-Y73 PolarHBondContact OD2-OH 3.46Å; Y73-I76 PolarHBondContact O-N 3.36Å; Y73-A77 VanDerWaalsContact O-CB 3.29Å; Y73-A77 WeakPolarHBondContact O-CB 3.27Å; Y73-A77 PolarHBondContact O-N 3.25Å; Y73-K194 PolarHBondContact OH-NZ 3.39Å; Y73-V315 HydrophobicContact CD1-CG2 4.4Å; Y73-V315 HydrophobicContact CD2-CG2 3.72Å; Y73-V315 HydrophobicContact CE1-CG1 4.37Å; Y73-V315 HydrophobicContact CE2-CG2 3.92Å; Y73-V315 HydrophobicContact CG-CG2 3.97Å; Y73-A318 HydrophobicContact CD1-CB 3.65Å; Y73-A318 HydrophobicContact CE1-CB 4.44Å
74	K	77	Confident	74.8	Confident	115 Å²	115	64.8 Å²	64.8	50%	0.5	33%	0.334	S	S	.	.	H	α-helix	trans	-63.1	-48.7	177.8	-178.9	172.5	173.6	172	0	112.4	K72 I76 A77 E78	K72-K74 VanDerWaalsContact C-N 3.28Å; K72-K74 PolarHBondContact O-N 2.92Å; K72-K74 VanDerWaalsContact O-N 3.13Å; K74-I76 VanDerWaalsContact C-N 3.3Å; K74-I76 PolarHBondContact O-N 3.11Å; K74-A77 PolarHBondContact O-N 3.25Å; K74-E78 WeakPolarHBondContact CE-OE1 3.3Å; K74-E78 IonicContact NZ-OE1 3.66Å; K74-E78 WeakPolarHBondContact O-CG 3.29Å; K74-E78 PolarHBondContact O-N 2.8Å
75	E	78.5	Confident	74.2	Confident	135 Å²	135	64.8 Å²	64.8	63%	0.631	33%	0.334	S	S	*	.	H	α-helix	trans	-61.3	-40.9	179.3	-58	179	167	0	0	111.3	K72 E79	K72-E75 PolarHBondContact O-N 3.09Å; K72-E75 VanDerWaalsContact O-N 3.08Å; E75-E79 PolarHBondContact O-N 2.83Å; E75-E79 VanDerWaalsContact O-N 3.16Å
76	I	77.5	Confident	73.3	Confident	34 Å²	34	66.6 Å²	66.6	17%	0.174	35%	0.35	C	S	.	.	H	α-helix	trans	-69	-39.9	179	-61.7	170.8	0	0	0	110.9	M69 K72 Y73 K74 E79 L80 A318 I321	M69-I76 HydrophobicContact CB-CD1 4.37Å; M69-I76 HydrophobicContact CG-CD1 4.19Å; K72-I76 HydrophobicContact CB-CD1 3.75Å; K72-I76 HydrophobicContact CB-CG1 4.2Å; K72-I76 WeakPolarHBondContact O-CG1 3.49Å; K72-I76 PolarHBondContact O-N 3.23Å; K72-I76 VanDerWaalsContact O-N 3.08Å; Y73-I76 PolarHBondContact O-N 3.36Å; K74-I76 VanDerWaalsContact C-N 3.3Å; K74-I76 PolarHBondContact O-N 3.11Å; I76-E79 PolarHBondContact O-N 2.97Å; I76-L80 PolarHBondContact O-N 3.19Å; I76-A318 HydrophobicContact CB-CB 3.93Å; I76-A318 HydrophobicContact CG2-CB 3.57Å; I76-I321 HydrophobicContact CG2-CD1 3.48Å; I76-I321 VanDerWaalsContact CG2-CD1 3.48Å; I76-I321 HydrophobicContact CG2-CG1 3.64Å; I76-I321 WeakPolarHBondContact O-CD1 3.27Å
77	A	76.5	Confident	72.3	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-67.2	-42.9	176.2	0	0	0	0	0	112.2	Y73 K74 E79 L80 F81 N314 M317	Y73-A77 VanDerWaalsContact O-CB 3.29Å; Y73-A77 WeakPolarHBondContact O-CB 3.27Å; Y73-A77 PolarHBondContact O-N 3.25Å; K74-A77 PolarHBondContact O-N 3.25Å; A77-E79 PolarHBondContact O-N 2.93Å; A77-L80 PolarHBondContact O-N 3.11Å; A77-L80 VanDerWaalsContact O-N 3.09Å; A77-F81 HydrophobicContact CB-CE2 4.5Å; A77-F81 WeakPolarHBondContact O-CD2 3.5Å; A77-F81 PolarHBondContact O-N 3.05Å; A77-N314 HydrophobicContact CB-CB 4.21Å; A77-N314 WeakPolarHBondContact CB-OD1 3.49Å; A77-M317 HydrophobicContact CB-CB 3.83Å
78	E	78.1	Confident	70.9	Confident	89 Å²	89	68.3 Å²	68.3	42%	0.416	37%	0.372	S	S	.	.	H	α-helix	trans	-58.7	-34.1	174	-74.6	173.4	-178.8	0	0	112.2	K74 S82	K74-E78 WeakPolarHBondContact CE-OE1 3.3Å; K74-E78 IonicContact NZ-OE1 3.66Å; K74-E78 WeakPolarHBondContact O-CG 3.29Å; K74-E78 PolarHBondContact O-N 2.8Å; E78-S82 WeakPolarHBondContact O-CB 3.43Å; E78-S82 PolarHBondContact O-N 2.93Å; E78-S82 PolarHBondContact O-OG 3.33Å
79	E	76.3	Confident	69.3	Low	92 Å²	92	72.1 Å²	72.1	43%	0.43	38%	0.381	S	S	.	.	H	α-helix	trans	-65.5	-43.9	172.3	-165.6	-173.2	172.9	0	0	112.3	E75 I76 A77 S82 R83	E75-E79 PolarHBondContact O-N 2.83Å; E75-E79 VanDerWaalsContact O-N 3.16Å; I76-E79 PolarHBondContact O-N 2.97Å; A77-E79 PolarHBondContact O-N 2.93Å; E79-S82 PolarHBondContact O-N 3.08Å; E79-R83 WeakPolarHBondContact O-CG 3.45Å; E79-R83 PolarHBondContact O-N 3.15Å; E79-R83 IonicContact OE1-CZ 3.63Å; E79-R83 VanDerWaalsContact OE1-CZ 3.28Å; E79-R83 IonicContact OE1-NE 2.71Å; E79-R83 PolarHBondContact OE1-NE 2.74Å; E79-R83 VanDerWaalsContact OE1-NE 3.14Å; E79-R83 IonicContact OE1-NH2 2.78Å; E79-R83 PolarHBondContact OE1-NH2 3.06Å
80	L	69.9	Low	67.2	Low	24 Å²	24	78.8 Å²	78.8	13%	0.126	41%	0.414	C	S	.	.	H	α-helix	trans	-61.2	-45.9	176.2	173.7	54.8	0	0	0	111.3	I76 A77 S82 R83 S84 M317 I321	I76-L80 PolarHBondContact O-N 3.19Å; A77-L80 PolarHBondContact O-N 3.11Å; A77-L80 VanDerWaalsContact O-N 3.09Å; L80-S82 PolarHBondContact O-N 2.67Å; L80-R83 PolarHBondContact O-N 2.95Å; L80-S84 WeakPolarHBondContact O-CB 3.46Å; L80-S84 PolarHBondContact O-N 3.34Å; L80-M317 HydrophobicContact CB-CE 4.22Å; L80-M317 HydrophobicContact CD2-CB 4.35Å; L80-M317 HydrophobicContact CD2-CE 3.27Å; L80-M317 HydrophobicContact CD2-SD 3.6Å; L80-M317 VanDerWaalsContact CD2-SD 3.6Å; L80-M317 HydrophobicContact CG-CE 3.66Å; L80-I321 HydrophobicContact CB-CD1 4.18Å; L80-I321 HydrophobicContact CB-CG2 3.97Å; L80-I321 HydrophobicContact CD1-CG2 3.79Å; L80-I321 HydrophobicContact CD2-CG2 3.72Å; L80-I321 HydrophobicContact CG-CG2 4.02Å
81	F	67.4	Low	65.3	Low	10 Å²	10	87.8 Å²	87.8	4%	0.044	44%	0.443	C	S	.	.	H	α-helix	trans	-61.2	-44	176	-70.8	-66.4	0	0	0	111.8	A77 R83 S84 L85 M317 I591 H649	A77-F81 HydrophobicContact CB-CE2 4.5Å; A77-F81 WeakPolarHBondContact O-CD2 3.5Å; A77-F81 PolarHBondContact O-N 3.05Å; F81-R83 VanDerWaalsContact C-N 3.3Å; F81-R83 PolarHBondContact O-N 2.98Å; F81-S84 PolarHBondContact O-N 3.2Å; F81-S84 VanDerWaalsContact O-N 3.16Å; F81-L85 WeakPolarHBondContact O-CG 3.29Å; F81-L85 PolarHBondContact O-N 3.05Å; F81-M317 HydrophobicContact CD1-CE 3.99Å; F81-M317 HydrophobicContact CD2-CE 4.16Å; F81-M317 HydrophobicContact CE1-CE 3.61Å; F81-M317 HydrophobicContact CE2-CE 3.79Å; F81-M317 HydrophobicContact CG-CE 4.26Å; F81-M317 HydrophobicContact CZ-CE 3.51Å; F81-I591 HydrophobicContact CB-CD1 3.49Å; F81-I591 VanDerWaalsContact CB-CD1 3.49Å; F81-I591 HydrophobicContact CB-CG1 3.9Å; F81-I591 HydrophobicContact CD1-CG1 4.01Å; F81-I591 HydrophobicContact CD1-CG2 3.93Å; F81-I591 HydrophobicContact CD2-CD1 4.37Å; F81-I591 HydrophobicContact CD2-CG1 4.5Å; F81-I591 HydrophobicContact CD2-CG2 3.61Å; F81-I591 HydrophobicContact CE1-CG2 3.87Å; F81-I591 HydrophobicContact CE2-CG2 3.56Å; F81-I591 HydrophobicContact CG-CD1 3.93Å; F81-I591 HydrophobicContact CG-CG1 3.92Å; F81-I591 HydrophobicContact CG-CG2 3.8Å; F81-I591 HydrophobicContact CZ-CG2 3.68Å; F81-H649 AromaticContact CD1-ND1 4Å; F81-H649 HydrophobicContact CE1-CB 4.18Å; F81-H649 AromaticContact CE1-CG 3.83Å; F81-H649 AromaticContact CE1-ND1 3.71Å
82	S	68.6	Low	63.1	Low	71 Å²	71	88 Å²	88	50%	0.497	43%	0.432	S	S	.	.	H	α-helix	trans	-59.4	-39.8	177	-59.4	0	0	0	0	112.4	E78 E79 L80 A86	E78-S82 WeakPolarHBondContact O-CB 3.43Å; E78-S82 PolarHBondContact O-N 2.93Å; E78-S82 PolarHBondContact O-OG 3.33Å; E79-S82 PolarHBondContact O-N 3.08Å; L80-S82 PolarHBondContact O-N 2.67Å; S82-A86 WeakPolarHBondContact O-CB 3.32Å; S82-A86 PolarHBondContact O-N 3.03Å
83	R	69.5	Low	60.6	Low	131 Å²	131	85.6 Å²	85.6	49%	0.494	43%	0.433	S	S	.	.	H	α-helix	trans	-67.5	-43.8	174.1	-69.6	172.1	-178.7	-153.9	6.5	111.8	E79 L80 F81 L85 A86 E87	E79-R83 WeakPolarHBondContact O-CG 3.45Å; E79-R83 PolarHBondContact O-N 3.15Å; E79-R83 IonicContact OE1-CZ 3.63Å; E79-R83 VanDerWaalsContact OE1-CZ 3.28Å; E79-R83 IonicContact OE1-NE 2.71Å; E79-R83 PolarHBondContact OE1-NE 2.74Å; E79-R83 VanDerWaalsContact OE1-NE 3.14Å; E79-R83 IonicContact OE1-NH2 2.78Å; E79-R83 PolarHBondContact OE1-NH2 3.06Å; L80-R83 PolarHBondContact O-N 2.95Å; F81-R83 VanDerWaalsContact C-N 3.3Å; F81-R83 PolarHBondContact O-N 2.98Å; R83-L85 VanDerWaalsContact C-N 3.34Å; R83-L85 PolarHBondContact O-N 3.26Å; R83-A86 PolarHBondContact O-N 3.4Å; R83-E87 WeakPolarHBondContact O-CG 3.48Å; R83-E87 PolarHBondContact O-N 2.86Å
84	S	63.3	Low	58.5	Low	33 Å²	33	89 Å²	89	23%	0.231	46%	0.458	C	S	.	.	H	α-helix	trans	-64.3	-37.5	179.1	-165.7	0	0	0	0	112.5	L80 F81 S88 P647	L80-S84 WeakPolarHBondContact O-CB 3.46Å; L80-S84 PolarHBondContact O-N 3.34Å; F81-S84 PolarHBondContact O-N 3.2Å; F81-S84 VanDerWaalsContact O-N 3.16Å; S84-S88 PolarHBondContact O-N 2.56Å; S84-S88 VanDerWaalsContact O-N 3.09Å; S84-P647 WeakPolarHBondContact OG-CB 3.46Å
85	L	60.9	Low	57.1	Low	65 Å²	65	88.3 Å²	88.3	34%	0.34	45%	0.453	S	S	.	.	H	α-helix	trans	-67.7	-43.5	172.8	-71.3	169.1	0	0	0	111.1	F81 R83 E87 S88 E89 E588 I591	F81-L85 WeakPolarHBondContact O-CG 3.29Å; F81-L85 PolarHBondContact O-N 3.05Å; R83-L85 VanDerWaalsContact C-N 3.34Å; R83-L85 PolarHBondContact O-N 3.26Å; L85-E87 PolarHBondContact O-N 3.11Å; L85-S88 CarbonylContact O-C 3.5Å; L85-S88 WeakPolarHBondContact O-CA 3.26Å; L85-S88 WeakPolarHBondContact O-CB 3.23Å; L85-S88 PolarHBondContact O-N 2.72Å; L85-E89 PolarHBondContact O-N 3.13Å; L85-E588 WeakPolarHBondContact CD2-O 3.26Å; L85-I591 HydrophobicContact CD1-CD1 4.23Å; L85-I591 HydrophobicContact CD1-CG1 4.46Å
86	A	57.9	Low	54.8	Low	47 Å²	47	89.9 Å²	89.9	39%	0.388	46%	0.46	S	S	.	.	H	α-helix	trans	-63.8	-37.3	176.3	0	0	0	0	0	113.1	S82 R83 S88 E89 M90	S82-A86 WeakPolarHBondContact O-CB 3.32Å; S82-A86 PolarHBondContact O-N 3.03Å; R83-A86 PolarHBondContact O-N 3.4Å; A86-S88 VanDerWaalsContact C-N 3.29Å; A86-E89 PolarHBondContact O-N 2.86Å; A86-M90 WeakPolarHBondContact O-CB 3.36Å; A86-M90 WeakPolarHBondContact O-CG 3.24Å; A86-M90 PolarHBondContact O-N 3.49Å
87	E	55.3	Low	52.6	Low	153 Å²	153	92.7 Å²	92.7	72%	0.715	47%	0.471	S	S	*	.	H	α-helix	trans	-65.8	-31.4	171.2	-75.1	179.6	-168.1	0	0	111.9	R83 L85	R83-E87 WeakPolarHBondContact O-CG 3.48Å; R83-E87 PolarHBondContact O-N 2.86Å; L85-E87 PolarHBondContact O-N 3.11Å
88	S	47.2	Very low	50.5	Low	71 Å²	71	97.4 Å²	97.4	50%	0.497	50%	0.502	S	S	.	.	H	α-helix	trans	-77.5	-27	172.9	-171.4	0	0	0	0	114	S84 L85 A86	S84-S88 PolarHBondContact O-N 2.56Å; S84-S88 VanDerWaalsContact O-N 3.09Å; L85-S88 CarbonylContact O-C 3.5Å; L85-S88 WeakPolarHBondContact O-CA 3.26Å; L85-S88 WeakPolarHBondContact O-CB 3.23Å; L85-S88 PolarHBondContact O-N 2.72Å; A86-S88 VanDerWaalsContact C-N 3.29Å
89	E	38.8	Very low	48.6	Very low	162 Å²	162	101 Å²	101	76%	0.757	52%	0.519	S	S	*	.	H	α-helix	trans	-85.1	-27.7	176.9	-74.5	-166.8	155.2	0	0	113.1	L85 A86 R91	L85-E89 PolarHBondContact O-N 3.13Å; A86-E89 PolarHBondContact O-N 2.86Å; E89-R91 PolarHBondContact O-N 2.7Å
90	M	33.1	Very low	46.7	Very low	148 Å²	148	102.6 Å²	102.6	73%	0.729	53%	0.53	S	S	*	.	S	Bend	trans	-66	93	171.4	-82.2	-163.8	171.3	0	0	110.4	A86 S92	A86-M90 WeakPolarHBondContact O-CB 3.36Å; A86-M90 WeakPolarHBondContact O-CG 3.24Å; A86-M90 PolarHBondContact O-N 3.49Å; M90-S92 PolarHBondContact O-N 2.65Å
91	R	38	Very low	45.3	Very low	249 Å²	249	103.5 Å²	103.5	94%	0.94	54%	0.539	S	S	*	.			trans	-66.7	68.4	174.5	-66	-177.9	177.6	179.7	-0.9	113.3	E89	E89-R91 PolarHBondContact O-N 2.7Å
92	S	29.2	Very low	44	Very low	84 Å²	84	107.5 Å²	107.5	59%	0.587	57%	0.566	S	S	*	*			trans	-85.4	158.6	138.8	51.9	0	0	0	0	108.6	M90	M90-S92 PolarHBondContact O-N 2.65Å
93	A	28.2	Very low	42.9	Very low	61 Å²	61	108.8 Å²	108.8	50%	0.504	57%	0.566	S	S	.	*			trans	-63.7	161.6	156.3	0	0	0	0	0	108.2	Y95 E96	A93-Y95 HydrophobicContact CB-CD2 4.27Å; A93-Y95 PolarHBondContact O-N 3.01Å; A93-E96 PolarHBondContact O-N 3.31Å
94	P	37	Very low	41.7	Very low	96 Å²	96	105.9 Å²	105.9	62%	0.623	56%	0.558	S	S	*	*	S	Bend	trans	-58.4	4.3	172.1	-25.1	35.4	0	0	0	115.6
95	Y	47.6	Very low	40.7	Very low	100 Å²	100	107.5 Å²	107.5	39%	0.392	56%	0.562	S	S	.	*			trans	-146.8	73.8	-179.4	-12.7	-112.8	0	0	0	109.2	A93 F438 H439	A93-Y95 HydrophobicContact CB-CD2 4.27Å; A93-Y95 PolarHBondContact O-N 3.01Å; Y95-F438 HydrophobicContact CE1-CD1 4.3Å; Y95-F438 AromaticContact CE1-CE1 3.53Å; Y95-F438 HydrophobicContact CE1-CE1 3.53Å; Y95-F438 HydrophobicContact CE1-CZ 4.22Å; Y95-F438 AromaticContact CZ-CE1 3.77Å; Y95-F438 WeakPolarHBondContact OH-CD1 3.27Å; Y95-F438 WeakPolarHBondContact OH-CE1 3.49Å; Y95-H439 AromaticContact CE1-CD2 3.78Å; Y95-H439 AromaticContact CE1-CE1 3.54Å; Y95-H439 AromaticContact CE1-NE2 3.29Å; Y95-H439 VanDerWaalsContact CE1-NE2 3.29Å; Y95-H439 WeakPolarHBondContact CE1-NE2 3.42Å; Y95-H439 HydrophobicContact CE2-CB 4.49Å; Y95-H439 AromaticContact CZ-CD2 3.43Å; Y95-H439 VanDerWaalsContact CZ-CD2 3.43Å; Y95-H439 AromaticContact CZ-CE1 3.57Å; Y95-H439 AromaticContact CZ-CG 3.52Å; Y95-H439 AromaticContact CZ-ND1 3.63Å; Y95-H439 AromaticContact CZ-NE2 3.43Å; Y95-H439 VanDerWaalsContact OH-CB 3.31Å; Y95-H439 WeakPolarHBondContact OH-CB 2.99Å; Y95-H439 PolarHBondContact OH-CD2 2.98Å; Y95-H439 PolarHBondContact OH-NE2 3.33Å
96	E	30.5	Very low	40.2	Very low	167 Å²	167	110 Å²	110	78%	0.78	58%	0.575	S	S	*	*				-128.2	115.9	107.5	-98.9	166.7	-171.5	0	0	105.4	A93	A93-E96 PolarHBondContact O-N 3.31Å
97	F	30.8	Very low	39.9	Very low	93 Å²	93	110.6 Å²	110.6	41%	0.408	57%	0.57	S	S	.	*			trans	-60	133.9	159.4	-79.4	-110.2	0	0	0	105.3	E99 E104	F97-E99 PolarHBondContact O-N 3.33Å; F97-E99 VanDerWaalsContact O-N 3.11Å; F97-E104 WeakPolarHBondContact CD1-OE2 3.39Å; F97-E104 WeakPolarHBondContact CE1-OE2 2.98Å
98	P	32.8	Very low	39.7	Very low	99 Å²	99	108.2 Å²	108.2	64%	0.643	56%	0.559	S	S	*	*			trans	-54.3	120.3	146.6	-11.7	26.7	0	0	0	104.9	D100	P98-D100 HydrophobicContact CB-CB 4.45Å; P98-D100 PolarHBondContact O-N 3.42Å
99	E	37.8	Very low	39.8	Very low	164 Å²	164	110.8 Å²	110.8	77%	0.766	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	-3.6	173.3	-64.4	-169.4	142.7	0	0	111.4	F97 Q105	F97-E99 PolarHBondContact O-N 3.33Å; F97-E99 VanDerWaalsContact O-N 3.11Å; E99-Q105 WeakPolarHBondContact O-CG 3.44Å; E99-Q105 PolarHBondContact O-NE2 2.99Å
100	D	37.4	Very low	40.7	Very low	126 Å²	126	108.6 Å²	108.6	67%	0.674	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	25.5	-166.4	-55.4	-49.9	0	0	0	115	P98 P102	P98-D100 HydrophobicContact CB-CB 4.45Å; P98-D100 PolarHBondContact O-N 3.42Å; D100-P102 VanDerWaalsContact O-CD 3.27Å; D100-P102 WeakPolarHBondContact O-CD 3.46Å
101	S	40.3	Very low	41.8	Very low	44 Å²	44	105.9 Å²	105.9	31%	0.308	53%	0.531	S	S	.	.			trans	-78.2	112.3	156.9	175.7	0	0	0	0	108.4	I103 E104 Q105	S101-I103 PolarHBondContact O-N 3.49Å; S101-I103 VanDerWaalsContact O-N 3.09Å; S101-E104 PolarHBondContact O-N 3.22Å; S101-Q105 PolarHBondContact O-N 2.93Å
102	P	40.7	Very low	42.7	Very low	93 Å²	93	100.6 Å²	100.6	60%	0.604	51%	0.511	S	S	*	.	H	α-helix	trans	-61.3	-25.9	-177.5	-22.9	35.1	0	0	0	112.5	D100 L106	D100-P102 VanDerWaalsContact O-CD 3.27Å; D100-P102 WeakPolarHBondContact O-CD 3.46Å; P102-L106 WeakPolarHBondContact O-CB 3.36Å; P102-L106 WeakPolarHBondContact O-CD1 3.49Å; P102-L106 WeakPolarHBondContact O-CG 3.5Å; P102-L106 PolarHBondContact O-N 3.05Å; P102-L106 VanDerWaalsContact O-N 3.12Å
103	I	44.3	Very low	43.6	Very low	99 Å²	99	101.2 Å²	101.2	51%	0.508	51%	0.507	S	S	.	.	H	α-helix	trans	-76.4	-48.7	-179.1	-59.9	173.6	0	0	0	110.6	S101 Q105 L106 E107	S101-I103 PolarHBondContact O-N 3.49Å; S101-I103 VanDerWaalsContact O-N 3.09Å; I103-Q105 VanDerWaalsContact C-N 3.34Å; I103-Q105 PolarHBondContact O-N 3.45Å; I103-L106 PolarHBondContact O-N 3.46Å; I103-L106 VanDerWaalsContact O-N 3.1Å; I103-E107 PolarHBondContact O-N 3.45Å
104	E	44.7	Very low	44.8	Very low	69 Å²	69	101.9 Å²	101.9	32%	0.322	50%	0.5	S	S	.	.	H	α-helix	trans	-66.4	-35.5	176.3	-80.4	-174.6	126.3	0	0	111.5	F97 S101 L106 E107 E108	F97-E104 WeakPolarHBondContact CD1-OE2 3.39Å; F97-E104 WeakPolarHBondContact CE1-OE2 2.98Å; S101-E104 PolarHBondContact O-N 3.22Å; E104-L106 VanDerWaalsContact C-N 3.3Å; E104-L106 PolarHBondContact O-N 3.32Å; E104-E107 PolarHBondContact O-N 3.21Å; E104-E108 VanDerWaalsContact O-CB 3.29Å; E104-E108 WeakPolarHBondContact O-CB 3.44Å; E104-E108 PolarHBondContact O-N 2.76Å
105	Q	43.1	Very low	45.9	Very low	68 Å²	68	105.3 Å²	105.3	32%	0.318	50%	0.501	S	S	.	.	H	α-helix	trans	-61.7	-37.3	170.7	-74.9	-159.2	11.3	0	0	112.7	E99 S101 I103 K109	E99-Q105 WeakPolarHBondContact O-CG 3.44Å; E99-Q105 PolarHBondContact O-NE2 2.99Å; S101-Q105 PolarHBondContact O-N 2.93Å; I103-Q105 VanDerWaalsContact C-N 3.34Å; I103-Q105 PolarHBondContact O-N 3.45Å; Q105-K109 WeakPolarHBondContact O-CB 3.48Å; Q105-K109 WeakPolarHBondContact O-CD 3.44Å; Q105-K109 WeakPolarHBondContact O-CG 3.22Å; Q105-K109 PolarHBondContact O-N 3.07Å
106	L	49.2	Very low	45.9	Very low	117 Å²	117	105.5 Å²	105.5	61%	0.613	51%	0.505	S	S	*	.	H	α-helix	trans	-71.7	-42.3	178.4	-79.2	168.2	0	0	0	111.2	P102 I103 E104 K109 R110	P102-L106 WeakPolarHBondContact O-CB 3.36Å; P102-L106 WeakPolarHBondContact O-CD1 3.49Å; P102-L106 WeakPolarHBondContact O-CG 3.5Å; P102-L106 PolarHBondContact O-N 3.05Å; P102-L106 VanDerWaalsContact O-N 3.12Å; I103-L106 PolarHBondContact O-N 3.46Å; I103-L106 VanDerWaalsContact O-N 3.1Å; E104-L106 VanDerWaalsContact C-N 3.3Å; E104-L106 PolarHBondContact O-N 3.32Å; L106-K109 PolarHBondContact O-N 3.11Å; L106-R110 VanDerWaalsContact O-CB 3.3Å; L106-R110 WeakPolarHBondContact O-CB 3.46Å; L106-R110 PolarHBondContact O-N 3.39Å
107	E	51.8	Low	46.7	Very low	59 Å²	59	102.3 Å²	102.3	28%	0.276	49%	0.492	S	S	.	.	H	α-helix	trans	-66.3	-42	174.5	-71.1	-172.6	141.2	0	0	112.1	I103 E104 R110 H111 Y330 Q334	I103-E107 PolarHBondContact O-N 3.45Å; E104-E107 PolarHBondContact O-N 3.21Å; E107-R110 PolarHBondContact O-N 3.06Å; E107-H111 WeakPolarHBondContact O-CB 3.48Å; E107-H111 PolarHBondContact O-N 3.07Å; E107-Y330 PolarHBondContact OE1-OH 3.34Å; E107-Q334 PolarHBondContact OE1-NE2 3.01Å
108	E	50.4	Low	47.8	Very low	103 Å²	103	102 Å²	102	48%	0.481	50%	0.502	S	S	.	.	H	α-helix	trans	-69.6	-37.9	176.9	-151.2	-158.3	165.6	0	0	111.6	E104 R110 R112	E104-E108 VanDerWaalsContact O-CB 3.29Å; E104-E108 WeakPolarHBondContact O-CB 3.44Å; E104-E108 PolarHBondContact O-N 2.76Å; E108-R110 VanDerWaalsContact C-N 3.34Å; E108-R112 VanDerWaalsContact O-CB 3.25Å; E108-R112 WeakPolarHBondContact O-CB 3.35Å; E108-R112 WeakPolarHBondContact O-CG 3.42Å; E108-R112 PolarHBondContact O-N 2.95Å; E108-R112 IonicContact OE1-CZ 3.06Å; E108-R112 VanDerWaalsContact OE1-CZ 3.24Å; E108-R112 IonicContact OE1-NE 3.45Å; E108-R112 PolarHBondContact OE1-NE 3.05Å; E108-R112 IonicContact OE1-NH2 3.79Å; E108-R112 PolarHBondContact OE1-NH2 3.28Å; E108-R112 IonicContact OE2-CZ 3.81Å; E108-R112 IonicContact OE2-NE 3.14Å; E108-R112 IonicContact OE2-NH2 3.28Å; E108-R112 PolarHBondContact OE2-NH2 3.25Å
109	K	50.7	Low	48.6	Very low	126 Å²	126	103.7 Å²	103.7	55%	0.548	50%	0.501	S	S	.	.	H	α-helix	trans	-61.6	-41.3	168.2	-80.7	168.2	179.3	154.8	0	111.3	Q105 L106 R112 L113	Q105-K109 WeakPolarHBondContact O-CB 3.48Å; Q105-K109 WeakPolarHBondContact O-CD 3.44Å; Q105-K109 WeakPolarHBondContact O-CG 3.22Å; Q105-K109 PolarHBondContact O-N 3.07Å; L106-K109 PolarHBondContact O-N 3.11Å; K109-R112 PolarHBondContact O-N 2.98Å; K109-L113 VanDerWaalsContact O-CB 3.24Å; K109-L113 WeakPolarHBondContact O-CB 3.49Å; K109-L113 PolarHBondContact O-N 3.15Å
110	R	57.7	Low	48.7	Very low	116 Å²	116	102 Å²	102	44%	0.438	50%	0.497	S	S	.	.	H	α-helix	trans	-65.1	-45.1	178.5	-153.8	-168.3	95.6	-154.9	6.5	111.3	L106 E107 E108 L113 E114	L106-R110 VanDerWaalsContact O-CB 3.3Å; L106-R110 WeakPolarHBondContact O-CB 3.46Å; L106-R110 PolarHBondContact O-N 3.39Å; E107-R110 PolarHBondContact O-N 3.06Å; E108-R110 VanDerWaalsContact C-N 3.34Å; R110-L113 CarbonylContact O-C 3.57Å; R110-L113 PolarHBondContact O-N 3.5Å; R110-E114 IonicContact CZ-OE1 3.5Å; R110-E114 VanDerWaalsContact CZ-OE1 3.23Å; R110-E114 IonicContact NE-OE1 3.68Å; R110-E114 PolarHBondContact NE-OE1 3.01Å; R110-E114 IonicContact NH2-OE1 3.07Å; R110-E114 PolarHBondContact NH2-OE1 2.94Å; R110-E114 WeakPolarHBondContact O-CB 3.39Å; R110-E114 VanDerWaalsContact O-CG 3.31Å; R110-E114 WeakPolarHBondContact O-CG 3.2Å; R110-E114 PolarHBondContact O-N 3.08Å
111	H	55.3	Low	49.1	Very low	91 Å²	91	101.4 Å²	101.4	42%	0.421	50%	0.498	S	S	.	.	H	α-helix	trans	-69.2	-34.3	175.3	-78.4	-41.8	0	0	0	113.3	E107 L113 E114 R115	E107-H111 WeakPolarHBondContact O-CB 3.48Å; E107-H111 PolarHBondContact O-N 3.07Å; H111-L113 VanDerWaalsContact C-N 3.34Å; H111-E114 IonicContact CE1-OE2 3.87Å; H111-E114 IonicContact CG-OE2 2.69Å; H111-E114 IonicContact ND1-OE2 3.24Å; H111-E114 PolarHBondContact ND1-OE2 3.08Å; H111-R115 WeakPolarHBondContact O-CB 3.47Å; H111-R115 WeakPolarHBondContact O-CG 3.49Å; H111-R115 PolarHBondContact O-N 3.2Å
112	R	57.2	Low	49.5	Very low	138 Å²	138	107.2 Å²	107.2	52%	0.521	52%	0.518	S	S	.	.	H	α-helix	trans	-64.6	-40.1	169.8	-73.8	172.3	-172.8	-167.3	8.6	110.5	E108 K109 R115 Q116	E108-R112 VanDerWaalsContact O-CB 3.25Å; E108-R112 WeakPolarHBondContact O-CB 3.35Å; E108-R112 WeakPolarHBondContact O-CG 3.42Å; E108-R112 PolarHBondContact O-N 2.95Å; E108-R112 IonicContact OE1-CZ 3.06Å; E108-R112 VanDerWaalsContact OE1-CZ 3.24Å; E108-R112 IonicContact OE1-NE 3.45Å; E108-R112 PolarHBondContact OE1-NE 3.05Å; E108-R112 IonicContact OE1-NH2 3.79Å; E108-R112 PolarHBondContact OE1-NH2 3.28Å; E108-R112 IonicContact OE2-CZ 3.81Å; E108-R112 IonicContact OE2-NE 3.14Å; E108-R112 IonicContact OE2-NH2 3.28Å; E108-R112 PolarHBondContact OE2-NH2 3.25Å; K109-R112 PolarHBondContact O-N 2.98Å; R112-R115 PolarHBondContact O-N 3.26Å; R112-Q116 WeakPolarHBondContact O-CB 3.49Å; R112-Q116 WeakPolarHBondContact O-CG 3.29Å; R112-Q116 PolarHBondContact O-N 3.02Å
113	L	48.9	Very low	49.5	Very low	97 Å²	97	112 Å²	112	51%	0.508	53%	0.529	S	S	.	.	H	α-helix	trans	-69.7	-42.3	176.9	-162.2	75.8	0	0	0	112.2	K109 R110 H111 R115 Q116 I117	K109-L113 VanDerWaalsContact O-CB 3.24Å; K109-L113 WeakPolarHBondContact O-CB 3.49Å; K109-L113 PolarHBondContact O-N 3.15Å; R110-L113 CarbonylContact O-C 3.57Å; R110-L113 PolarHBondContact O-N 3.5Å; H111-L113 VanDerWaalsContact C-N 3.34Å; L113-R115 VanDerWaalsContact C-N 3.32Å; L113-R115 PolarHBondContact O-N 3.09Å; L113-Q116 PolarHBondContact O-N 3.36Å; L113-I117 HydrophobicContact CD2-CD1 4.48Å; L113-I117 HydrophobicContact CG-CD1 4.1Å; L113-I117 WeakPolarHBondContact O-CB 3.14Å; L113-I117 WeakPolarHBondContact O-CD1 3.09Å; L113-I117 VanDerWaalsContact O-CG1 3.24Å; L113-I117 WeakPolarHBondContact O-CG1 3.08Å; L113-I117 PolarHBondContact O-N 3.38Å
114	E	53.3	Low	49.5	Very low	75 Å²	75	113.4 Å²	113.4	35%	0.35	53%	0.534	S	S	.	.	H	α-helix	trans	-60.1	-41.6	172.2	-76	166.2	179.9	0	0	111.2	R110 H111 S118	R110-E114 IonicContact CZ-OE1 3.5Å; R110-E114 VanDerWaalsContact CZ-OE1 3.23Å; R110-E114 IonicContact NE-OE1 3.68Å; R110-E114 PolarHBondContact NE-OE1 3.01Å; R110-E114 IonicContact NH2-OE1 3.07Å; R110-E114 PolarHBondContact NH2-OE1 2.94Å; R110-E114 WeakPolarHBondContact O-CB 3.39Å; R110-E114 VanDerWaalsContact O-CG 3.31Å; R110-E114 WeakPolarHBondContact O-CG 3.2Å; R110-E114 PolarHBondContact O-N 3.08Å; H111-E114 IonicContact CE1-OE2 3.87Å; H111-E114 IonicContact CG-OE2 2.69Å; H111-E114 IonicContact ND1-OE2 3.24Å; H111-E114 PolarHBondContact ND1-OE2 3.08Å; E114-S118 VanDerWaalsContact O-CB 3.22Å; E114-S118 WeakPolarHBondContact O-CB 3.4Å; E114-S118 PolarHBondContact O-N 3.19Å
115	R	59	Low	49.7	Very low	168 Å²	168	114.6 Å²	114.6	63%	0.634	55%	0.548	S	S	*	.	H	α-helix	trans	-67.3	-37.9	173.4	-73	173.4	-168.3	175.4	6.7	112.4	H111 R112 L113 S118 Q119	H111-R115 WeakPolarHBondContact O-CB 3.47Å; H111-R115 WeakPolarHBondContact O-CG 3.49Å; H111-R115 PolarHBondContact O-N 3.2Å; R112-R115 PolarHBondContact O-N 3.26Å; L113-R115 VanDerWaalsContact C-N 3.32Å; L113-R115 PolarHBondContact O-N 3.09Å; R115-S118 PolarHBondContact O-N 2.9Å; R115-Q119 WeakPolarHBondContact O-CB 3.19Å; R115-Q119 VanDerWaalsContact O-CG 3.25Å; R115-Q119 WeakPolarHBondContact O-CG 3.46Å; R115-Q119 PolarHBondContact O-N 3.04Å
116	Q	47.7	Very low	49.9	Very low	103 Å²	103	116.7 Å²	116.7	48%	0.481	56%	0.561	S	S	.	*	H	α-helix	trans	-65.3	-48.9	173.7	-79.9	-179.7	-52.4	0	0	111	R112 L113 S118 Q119 D120	R112-Q116 WeakPolarHBondContact O-CB 3.49Å; R112-Q116 WeakPolarHBondContact O-CG 3.29Å; R112-Q116 PolarHBondContact O-N 3.02Å; L113-Q116 PolarHBondContact O-N 3.36Å; Q116-S118 VanDerWaalsContact C-N 3.27Å; Q116-S118 PolarHBondContact O-N 3.47Å; Q116-Q119 CarbonylContact O-C 3.54Å; Q116-Q119 WeakPolarHBondContact O-CA 3.49Å; Q116-Q119 PolarHBondContact O-N 3.32Å; Q116-D120 WeakPolarHBondContact O-CB 3.46Å; Q116-D120 VanDerWaalsContact O-CG 3.26Å; Q116-D120 PolarHBondContact O-N 3.1Å
117	I	48.6	Very low	50.1	Low	101 Å²	101	116.3 Å²	116.3	52%	0.518	56%	0.558	S	S	.	*	H	α-helix	trans	-57	-42	174.4	-67.2	162.3	0	0	0	110.9	L113 Q119 V121	L113-I117 HydrophobicContact CD2-CD1 4.48Å; L113-I117 HydrophobicContact CG-CD1 4.1Å; L113-I117 WeakPolarHBondContact O-CB 3.14Å; L113-I117 WeakPolarHBondContact O-CD1 3.09Å; L113-I117 VanDerWaalsContact O-CG1 3.24Å; L113-I117 WeakPolarHBondContact O-CG1 3.08Å; L113-I117 PolarHBondContact O-N 3.38Å; I117-Q119 VanDerWaalsContact C-N 3.29Å; I117-Q119 PolarHBondContact O-N 3.22Å; I117-V121 VanDerWaalsContact O-CG2 3.25Å; I117-V121 WeakPolarHBondContact O-CG2 3.47Å; I117-V121 PolarHBondContact O-N 2.69Å
118	S	52.4	Low	49.9	Very low	87 Å²	87	119.9 Å²	119.9	61%	0.608	58%	0.579	S	S	*	*	H	α-helix	trans	-66	-27.1	175.1	-174.3	0	0	0	0	113.8	E114 R115 Q116	E114-S118 VanDerWaalsContact O-CB 3.22Å; E114-S118 WeakPolarHBondContact O-CB 3.4Å; E114-S118 PolarHBondContact O-N 3.19Å; R115-S118 PolarHBondContact O-N 2.9Å; Q116-S118 VanDerWaalsContact C-N 3.27Å; Q116-S118 PolarHBondContact O-N 3.47Å
119	Q	50	Low	49.9	Very low	133 Å²	133	119.4 Å²	119.4	62%	0.621	58%	0.579	S	S	*	*	H	α-helix	trans	-88.2	-37.6	176.6	-74.1	176.7	2	0	0	112.8	R115 Q116 I117 V121 K122	R115-Q119 WeakPolarHBondContact O-CB 3.19Å; R115-Q119 VanDerWaalsContact O-CG 3.25Å; R115-Q119 WeakPolarHBondContact O-CG 3.46Å; R115-Q119 PolarHBondContact O-N 3.04Å; Q116-Q119 CarbonylContact O-C 3.54Å; Q116-Q119 WeakPolarHBondContact O-CA 3.49Å; Q116-Q119 PolarHBondContact O-N 3.32Å; I117-Q119 VanDerWaalsContact C-N 3.29Å; I117-Q119 PolarHBondContact O-N 3.22Å; Q119-V121 VanDerWaalsContact C-N 3.28Å; Q119-V121 PolarHBondContact O-N 3.39Å; Q119-K122 WeakPolarHBondContact O-CB 3.42Å; Q119-K122 PolarHBondContact O-N 2.86Å; Q119-K122 VanDerWaalsContact O-N 3.1Å
120	D	40.7	Very low	49.7	Very low	128 Å²	128	121.8 Å²	121.8	68%	0.684	58%	0.584	S	S	*	*	H	α-helix	trans	-73.1	-18.9	-178.3	-69.3	-25.5	0	0	0	112.5	Q116 K122	Q116-D120 WeakPolarHBondContact O-CB 3.46Å; Q116-D120 VanDerWaalsContact O-CG 3.26Å; Q116-D120 PolarHBondContact O-N 3.1Å; D120-K122 PolarHBondContact O-N 2.82Å; D120-K122 VanDerWaalsContact O-N 3.16Å
121	V	45.2	Very low	49.3	Very low	115 Å²	115	118.5 Å²	118.5	70%	0.697	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-4.1	167.8	169.1	0	0	0	0	112.6	I117 Q119 F123	I117-V121 VanDerWaalsContact O-CG2 3.25Å; I117-V121 WeakPolarHBondContact O-CG2 3.47Å; I117-V121 PolarHBondContact O-N 2.69Å; Q119-V121 VanDerWaalsContact C-N 3.28Å; Q119-V121 PolarHBondContact O-N 3.39Å; V121-F123 PolarHBondContact O-N 3.32Å
122	K	47.6	Very low	48.8	Very low	165 Å²	165	120.8 Å²	120.8	72%	0.717	59%	0.591	S	S	*	*			trans	-88.3	66.8	173.4	-70.5	-172.8	172.1	179.1	0	114.5	Q119 D120	Q119-K122 WeakPolarHBondContact O-CB 3.42Å; Q119-K122 PolarHBondContact O-N 2.86Å; Q119-K122 VanDerWaalsContact O-N 3.1Å; D120-K122 PolarHBondContact O-N 2.82Å; D120-K122 VanDerWaalsContact O-N 3.16Å
123	F	41.2	Very low	48.3	Very low	194 Å²	194	119.2 Å²	119.2	85%	0.851	59%	0.589	S	S	*	*			trans	-151.3	83.8	146.6	-85.6	-66	0	0	0	112.3	V121	V121-F123 PolarHBondContact O-N 3.32Å
124	E	45.3	Very low	48.2	Very low	128 Å²	128	120.7 Å²	120.7	60%	0.598	59%	0.594	S	S	*	*				-163.3	91.1	125	-108.6	-171.7	-141.3	0	0	110	D126 I127	E124-D126 PolarHBondContact O-N 3Å; E124-I127 HydrophobicContact CB-CD1 4.43Å; E124-I127 HydrophobicContact CB-CG1 4.47Å; E124-I127 PolarHBondContact O-N 2.84Å; E124-I127 WeakPolarHBondContact OE2-CD1 3.4Å; E124-I127 WeakPolarHBondContact OE2-CG1 3.21Å
125	P	47.8	Very low	47.8	Very low	95 Å²	95	124 Å²	124	62%	0.617	61%	0.607	S	S	*	*	H	α-helix	trans	-60.3	-30.8	-176.3	-25.3	35.2	0	0	0	114	L129	P125-L129 VanDerWaalsContact O-CB 3.3Å; P125-L129 WeakPolarHBondContact O-CB 3.45Å; P125-L129 PolarHBondContact O-N 3.15Å
126	D	48.2	Very low	47.1	Very low	111 Å²	111	122.4 Å²	122.4	59%	0.594	61%	0.609	S	S	*	*	H	α-helix	trans	-75.1	-29.3	-174	-74.9	-15.2	0	0	0	113.5	E124 R130	E124-D126 PolarHBondContact O-N 3Å; D126-R130 VanDerWaalsContact O-CB 3.27Å; D126-R130 WeakPolarHBondContact O-CB 3.4Å; D126-R130 WeakPolarHBondContact O-CG 3.11Å; D126-R130 PolarHBondContact O-N 3.06Å
127	I	53.1	Low	46.9	Very low	109 Å²	109	125.2 Å²	125.2	56%	0.559	62%	0.619	S	S	*	*	H	α-helix	trans	-68.8	-47.6	173.9	-67	-178	0	0	0	110	E124 L129 R130 A131	E124-I127 HydrophobicContact CB-CD1 4.43Å; E124-I127 HydrophobicContact CB-CG1 4.47Å; E124-I127 PolarHBondContact O-N 2.84Å; E124-I127 WeakPolarHBondContact OE2-CD1 3.4Å; E124-I127 WeakPolarHBondContact OE2-CG1 3.21Å; I127-L129 VanDerWaalsContact C-N 3.33Å; I127-L129 PolarHBondContact O-N 3.21Å; I127-R130 PolarHBondContact O-N 3.49Å; I127-A131 VanDerWaalsContact O-CB 3.23Å; I127-A131 WeakPolarHBondContact O-CB 3.42Å; I127-A131 PolarHBondContact O-N 3.42Å
128	L	46.8	Very low	46.5	Very low	135 Å²	135	124.6 Å²	124.6	71%	0.707	62%	0.62	S	S	*	*	H	α-helix	trans	-65.5	-36	177.8	-101.5	162.5	0	0	0	112.2	K132	L128-K132 VanDerWaalsContact O-CB 3.22Å; L128-K132 WeakPolarHBondContact O-CB 2.88Å; L128-K132 PolarHBondContact O-N 3.39Å
129	L	50.4	Low	46.4	Very low	92 Å²	92	124.7 Å²	124.7	48%	0.482	61%	0.614	S	S	.	*	H	α-helix	trans	-72.1	-40	176.4	-164.7	68.9	0	0	0	112.1	P125 I127 Q133	P125-L129 VanDerWaalsContact O-CB 3.3Å; P125-L129 WeakPolarHBondContact O-CB 3.45Å; P125-L129 PolarHBondContact O-N 3.15Å; I127-L129 VanDerWaalsContact C-N 3.33Å; I127-L129 PolarHBondContact O-N 3.21Å; L129-Q133 VanDerWaalsContact O-CB 3.32Å; L129-Q133 WeakPolarHBondContact O-CB 3.35Å; L129-Q133 VanDerWaalsContact O-CG 3.27Å; L129-Q133 WeakPolarHBondContact O-CG 3.37Å; L129-Q133 PolarHBondContact O-N 3.46Å
130	R	48.3	Very low	46.6	Very low	176 Å²	176	122 Å²	122	66%	0.664	61%	0.61	S	S	*	*	H	α-helix	trans	-65.5	-49.1	172.7	-80.3	-175.4	-178.9	166.2	4.4	112	D126 I127 K132 Q133 E134	D126-R130 VanDerWaalsContact O-CB 3.27Å; D126-R130 WeakPolarHBondContact O-CB 3.4Å; D126-R130 WeakPolarHBondContact O-CG 3.11Å; D126-R130 PolarHBondContact O-N 3.06Å; I127-R130 PolarHBondContact O-N 3.49Å; R130-K132 PolarHBondContact O-N 2.85Å; R130-Q133 CarbonylContact O-C 3.47Å; R130-Q133 PolarHBondContact O-N 2.95Å; R130-E134 WeakPolarHBondContact O-CB 3.48Å; R130-E134 PolarHBondContact O-N 3.41Å
131	A	48.6	Very low	47.1	Very low	47 Å²	47	118.9 Å²	118.9	39%	0.388	60%	0.602	S	S	.	*	H	α-helix	trans	-54.9	-43.2	176.8	0	0	0	0	0	111.1	I127 F135	I127-A131 VanDerWaalsContact O-CB 3.23Å; I127-A131 WeakPolarHBondContact O-CB 3.42Å; I127-A131 PolarHBondContact O-N 3.42Å; A131-F135 WeakPolarHBondContact O-CB 3.38Å; A131-F135 PolarHBondContact O-N 2.88Å
132	K	44.7	Very low	47.4	Very low	140 Å²	140	117.9 Å²	117.9	61%	0.609	60%	0.596	S	S	*	*	H	α-helix	trans	-70	-35.3	176.7	-159.4	174.8	-169.6	179.4	0	113.4	L128 R130 M136	L128-K132 VanDerWaalsContact O-CB 3.22Å; L128-K132 WeakPolarHBondContact O-CB 2.88Å; L128-K132 PolarHBondContact O-N 3.39Å; R130-K132 PolarHBondContact O-N 2.85Å; K132-M136 WeakPolarHBondContact O-CB 3.39Å; K132-M136 VanDerWaalsContact O-CG 3.31Å; K132-M136 WeakPolarHBondContact O-CG 3.21Å; K132-M136 PolarHBondContact O-N 3.43Å; K132-M136 VanDerWaalsContact O-N 3.08Å
133	Q	47.6	Very low	47.6	Very low	105 Å²	105	114.5 Å²	114.5	49%	0.491	59%	0.586	S	S	.	*	H	α-helix	trans	-76.7	-25.2	176.2	-76.3	-179.2	-2	0	0	113.8	L129 R130 K137	L129-Q133 VanDerWaalsContact O-CB 3.32Å; L129-Q133 WeakPolarHBondContact O-CB 3.35Å; L129-Q133 VanDerWaalsContact O-CG 3.27Å; L129-Q133 WeakPolarHBondContact O-CG 3.37Å; L129-Q133 PolarHBondContact O-N 3.46Å; R130-Q133 CarbonylContact O-C 3.47Å; R130-Q133 PolarHBondContact O-N 2.95Å; Q133-K137 WeakPolarHBondContact O-CD 3.19Å; Q133-K137 VanDerWaalsContact O-CG 3.27Å; Q133-K137 WeakPolarHBondContact O-CG 3.41Å
134	E	46.8	Very low	47.9	Very low	128 Å²	128	110.8 Å²	110.8	60%	0.598	57%	0.574	S	S	*	*	H	α-helix	trans	-81.7	-39.2	171.9	-71.4	-179	157.2	0	0	111.1	R130 K137 T138	R130-E134 WeakPolarHBondContact O-CB 3.48Å; R130-E134 PolarHBondContact O-N 3.41Å; E134-K137 PolarHBondContact O-N 3.12Å; E134-T138 PolarHBondContact O-N 2.99Å; E134-T138 PolarHBondContact O-OG1 3.07Å
135	F	43.9	Very low	48.2	Very low	144 Å²	144	111.3 Å²	111.3	63%	0.632	58%	0.577	S	S	*	*	H	α-helix	trans	-55.9	-54.3	169.5	-117.4	-93.6	0	0	0	111.5	A131 K137 T138 D139	A131-F135 WeakPolarHBondContact O-CB 3.38Å; A131-F135 PolarHBondContact O-N 2.88Å; F135-K137 PolarHBondContact O-N 3.36Å; F135-T138 PolarHBondContact O-N 3.32Å; F135-D139 PolarHBondContact O-N 2.86Å
136	M	43.3	Very low	48.2	Very low	135 Å²	135	112.7 Å²	112.7	67%	0.665	57%	0.573	S	S	*	*	H	α-helix	trans	-64.4	-16.7	-178.1	-72.5	-174.8	71.2	0	0	114.6	K132	K132-M136 WeakPolarHBondContact O-CB 3.39Å; K132-M136 VanDerWaalsContact O-CG 3.31Å; K132-M136 WeakPolarHBondContact O-CG 3.21Å; K132-M136 PolarHBondContact O-N 3.43Å; K132-M136 VanDerWaalsContact O-N 3.08Å
137	K	43.4	Very low	48.2	Very low	161 Å²	161	113.7 Å²	113.7	70%	0.7	58%	0.576	S	S	*	*	H	α-helix	trans	-86.5	-18.9	173.7	-78.2	175.6	-176.3	175.4	0	113.4	Q133 E134 F135	Q133-K137 WeakPolarHBondContact O-CD 3.19Å; Q133-K137 VanDerWaalsContact O-CG 3.27Å; Q133-K137 WeakPolarHBondContact O-CG 3.41Å; E134-K137 PolarHBondContact O-N 3.12Å; F135-K137 PolarHBondContact O-N 3.36Å
138	T	42.2	Very low	48.1	Very low	88 Å²	88	115.3 Å²	115.3	54%	0.54	58%	0.579	S	S	.	*	H	α-helix	trans	-85.9	-35	-177.6	-49.6	0	0	0	0	111.2	E134 F135 S140	E134-T138 PolarHBondContact O-N 2.99Å; E134-T138 PolarHBondContact O-OG1 3.07Å; F135-T138 PolarHBondContact O-N 3.32Å; T138-S140 PolarHBondContact O-N 3Å
139	D	48.3	Very low	48	Very low	90 Å²	90	116.1 Å²	116.1	48%	0.481	58%	0.579	S	S	.	*	S	Bend	trans	-91.4	8.8	-167.3	-60.9	-7.3	0	0	0	116.2	F135	F135-D139 PolarHBondContact O-N 2.86Å
140	S	54.3	Low	47.6	Very low	77 Å²	77	117.7 Å²	117.7	54%	0.538	58%	0.584	S	S	.	*	S	Bend	trans	-121	-17.5	-168.7	62	0	0	0	0	117.9	T138	T138-S140 PolarHBondContact O-N 3Å
141	A	52.7	Low	47.1	Very low	61 Å²	61	113.7 Å²	113.7	50%	0.504	58%	0.583	S	S	.	*	S	Bend	trans	-110.7	-56.3	-179.5	0	0	0	0	0	111.9	D143 L144 E145	A141-D143 PolarHBondContact O-N 3.07Å; A141-L144 WeakPolarHBondContact O-CB 3.34Å; A141-L144 PolarHBondContact O-N 3.46Å; A141-E145 PolarHBondContact O-N 3.3Å
142	T	51.3	Low	46.6	Very low	95 Å²	95	119.7 Å²	119.7	58%	0.583	60%	0.603	S	S	*	*	H	α-helix	trans	-62.8	-45.6	-173.9	-18.3	0	0	0	0	112.5	L144 E145 F146	T142-L144 VanDerWaalsContact C-N 3.29Å; T142-L144 PolarHBondContact O-N 3.26Å; T142-E145 PolarHBondContact O-N 3.22Å; T142-F146 PolarHBondContact O-N 2.89Å
143	D	50.9	Low	46.1	Very low	94 Å²	94	116.1 Å²	116.1	50%	0.503	60%	0.6	S	S	.	*	H	α-helix	trans	-70.3	-26.7	179	-70.3	-8.5	0	0	0	112.5	A141 F146 M147	A141-D143 PolarHBondContact O-N 3.07Å; D143-F146 PolarHBondContact O-N 2.66Å; D143-M147 VanDerWaalsContact O-CB 3.29Å; D143-M147 WeakPolarHBondContact O-CB 3.11Å; D143-M147 WeakPolarHBondContact O-CG 3.46Å; D143-M147 PolarHBondContact O-N 3.34Å
144	L	48.5	Very low	45.7	Very low	116 Å²	116	116.6 Å²	116.6	61%	0.607	61%	0.612	S	S	*	*	H	α-helix	trans	-72.9	-30.5	177.4	-146.1	89.4	0	0	0	112	A141 T142 K148	A141-L144 WeakPolarHBondContact O-CB 3.34Å; A141-L144 PolarHBondContact O-N 3.46Å; T142-L144 VanDerWaalsContact C-N 3.29Å; T142-L144 PolarHBondContact O-N 3.26Å; L144-K148 PolarHBondContact O-N 3.5Å
145	E	50.2	Low	45.4	Very low	139 Å²	139	118.7 Å²	118.7	65%	0.65	63%	0.627	S	S	*	*	H	α-helix	trans	-75.7	-43.4	171	-68.3	-174.3	151.2	0	0	110.8	A141 T142 M147 K148 E149	A141-E145 PolarHBondContact O-N 3.3Å; T142-E145 PolarHBondContact O-N 3.22Å; E145-M147 VanDerWaalsContact C-N 3.33Å; E145-M147 PolarHBondContact O-N 3.49Å; E145-K148 WeakPolarHBondContact O-CB 3.46Å; E145-K148 PolarHBondContact O-N 2.9Å; E145-E149 PolarHBondContact O-N 2.59Å
146	F	48.3	Very low	44.9	Very low	123 Å²	123	118.4 Å²	118.4	54%	0.539	63%	0.628	S	S	.	*	H	α-helix	trans	-60.4	-39.1	175.9	-158.1	-104.3	0	0	0	112.9	T142 D143 K148 E149 Q150	T142-F146 PolarHBondContact O-N 2.89Å; D143-F146 PolarHBondContact O-N 2.66Å; F146-K148 VanDerWaalsContact C-N 3.34Å; F146-K148 PolarHBondContact O-N 3.41Å; F146-E149 PolarHBondContact O-N 2.86Å; F146-Q150 PolarHBondContact O-N 3.22Å; F146-Q150 VanDerWaalsContact O-N 3.15Å
147	M	49.4	Very low	44.5	Very low	132 Å²	132	120.7 Å²	120.7	65%	0.65	64%	0.637	S	S	*	*	H	α-helix	trans	-66.5	-31.3	173.1	-75.7	-100.2	157.4	0	0	113.2	D143 E145 S151	D143-M147 VanDerWaalsContact O-CB 3.29Å; D143-M147 WeakPolarHBondContact O-CB 3.11Å; D143-M147 WeakPolarHBondContact O-CG 3.46Å; D143-M147 PolarHBondContact O-N 3.34Å; E145-M147 VanDerWaalsContact C-N 3.33Å; E145-M147 PolarHBondContact O-N 3.49Å; M147-S151 WeakPolarHBondContact O-CB 3.37Å; M147-S151 PolarHBondContact O-N 2.98Å; M147-S151 PolarHBondContact O-OG 3.22Å
148	K	49.9	Very low	44.3	Very low	143 Å²	143	122.6 Å²	122.6	62%	0.622	65%	0.648	S	S	*	*	H	α-helix	trans	-73.2	-32.6	174.9	-96.5	179.2	175.7	174.2	0	113	L144 E145 F146 S151	L144-K148 PolarHBondContact O-N 3.5Å; E145-K148 WeakPolarHBondContact O-CB 3.46Å; E145-K148 PolarHBondContact O-N 2.9Å; F146-K148 VanDerWaalsContact C-N 3.34Å; F146-K148 PolarHBondContact O-N 3.41Å; K148-S151 WeakPolarHBondContact CA-OG 3.18Å; K148-S151 PolarHBondContact O-OG 2.97Å
149	E	44.8	Very low	44.1	Very low	153 Å²	153	127.7 Å²	127.7	72%	0.715	66%	0.658	S	S	*	*	H	α-helix	trans	-73.8	-38.5	175.4	-68.2	-170.7	147.6	0	0	111.8	E145 F146 S151	E145-E149 PolarHBondContact O-N 2.59Å; F146-E149 PolarHBondContact O-N 2.86Å; E149-S151 PolarHBondContact O-N 3.1Å
150	Q	41.3	Very low	43.7	Very low	124 Å²	124	130.2 Å²	130.2	58%	0.579	67%	0.671	S	S	*	*	H	α-helix	trans	-70	-28.6	176.4	-72	-166.8	-2.1	0	0	114.1	F146 Q152 A153	F146-Q150 PolarHBondContact O-N 3.22Å; F146-Q150 VanDerWaalsContact O-N 3.15Å; Q150-Q152 PolarHBondContact O-N 3.06Å; Q150-A153 PolarHBondContact O-N 3.18Å
151	S	39.1	Very low	43.5	Very low	92 Å²	92	130.1 Å²	130.1	64%	0.643	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	6.4	-179.5	44.6	0	0	0	0	114.8	M147 K148 E149	M147-S151 WeakPolarHBondContact O-CB 3.37Å; M147-S151 PolarHBondContact O-N 2.98Å; M147-S151 PolarHBondContact O-OG 3.22Å; K148-S151 WeakPolarHBondContact CA-OG 3.18Å; K148-S151 PolarHBondContact O-OG 2.97Å; E149-S151 PolarHBondContact O-N 3.1Å
152	Q	37.3	Very low	43.4	Very low	173 Å²	173	133 Å²	133	81%	0.808	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	10.2	171.9	-63.2	-167.6	7.8	0	0	114.5	Q150	Q150-Q152 PolarHBondContact O-N 3.06Å
153	A	34.3	Very low	43.6	Very low	66 Å²	66	131 Å²	131	55%	0.545	67%	0.667	S	S	.	*	S	Bend	trans	-86.3	131.5	172.4	0	0	0	0	0	111.8	Q150	Q150-A153 PolarHBondContact O-N 3.18Å
154	P	38.6	Very low	44	Very low	115 Å²	115	129.7 Å²	129.7	75%	0.747	66%	0.658	S	S	*	*			trans	-77	138.7	-179.6	30.2	-33.3	0	0	0	112.4	Q156	P154-Q156 PolarHBondContact O-N 3.13Å
155	N	41.5	Very low	44.8	Very low	171 Å²	171	131.7 Å²	131.7	91%	0.914	66%	0.657	S	S	*	*			trans	13.7	97.6	169.8	-77.9	3.9	0	0	0	116.7
156	Q	33.1	Very low	46.1	Very low	138 Å²	138	132.7 Å²	132.7	65%	0.645	66%	0.662	S	S	*	*			trans	-100.1	133.7	157.5	-66	-169.3	9.4	0	0	109.5	P154	P154-Q156 PolarHBondContact O-N 3.13Å
157	Q	35.8	Very low	48.2	Very low	183 Å²	183	127.5 Å²	127.5	86%	0.855	64%	0.639	S	S	*	*			trans	-60.7	157.4	175.4	-68.1	159.7	-73	0	0	110.8	R159	Q157-R159 PolarHBondContact O-N 2.94Å
158	E	38.2	Very low	50.2	Low	202 Å²	202	126.2 Å²	126.2	94%	0.944	63%	0.631	S	S	*	*			trans	-47.5	113.5	174.1	-67.1	167.3	136.8	0	0	109.8
159	R	38.7	Very low	52.1	Low	195 Å²	195	124.7 Å²	124.7	74%	0.736	62%	0.621	S	S	*	*			trans	-86.2	127.3	171.8	-66.8	-171.9	-174.5	-164.7	3.3	107.8	Q157 V161	Q157-R159 PolarHBondContact O-N 2.94Å; R159-V161 PolarHBondContact O-N 3.36Å
160	D	39.8	Very low	54	Low	143 Å²	143	120.2 Å²	120.2	77%	0.765	60%	0.604	S	S	*	*			trans	-49.9	128.2	170.5	-72.4	-54.5	0	0	0	110.7	V162	D160-V162 VanDerWaalsContact C-N 3.33Å; D160-V162 PolarHBondContact O-N 3.47Å
161	V	50.3	Low	56	Low	75 Å²	75	119.8 Å²	119.8	46%	0.455	61%	0.61	S	S	.	*			trans	-71.9	93.5	172.6	-179.2	0	0	0	0	107.1	R159 P163	R159-V161 PolarHBondContact O-N 3.36Å; V161-P163 WeakPolarHBondContact O-CD 3.33Å
162	V	50	Low	57.9	Low	121 Å²	121	119.4 Å²	119.4	73%	0.733	60%	0.6	S	S	*	*			trans	-58.6	123	175.3	-179	0	0	0	0	108.6	D160 E164	D160-V162 VanDerWaalsContact C-N 3.33Å; D160-V162 PolarHBondContact O-N 3.47Å; V162-E164 PolarHBondContact O-N 3.48Å
163	P	55.8	Low	59.8	Low	54 Å²	54	116.4 Å²	116.4	35%	0.351	60%	0.598	S	S	.	*			trans	-54	133	178.7	-29.9	37.1	0	0	0	111.9	V161 R165	V161-P163 WeakPolarHBondContact O-CD 3.33Å; P163-R165 HydrophobicContact CB-CG 4.14Å; P163-R165 PolarHBondContact O-N 3.23Å
164	E	58.6	Low	61.5	Low	65 Å²	65	115.7 Å²	115.7	30%	0.304	60%	0.598	S	S	.	*			trans	-81.5	72	-177.9	-167.1	157.1	-140.9	0	0	110.5	V162 E166 K357 I792	V162-E164 PolarHBondContact O-N 3.48Å; E164-E166 PolarHBondContact O-N 2.95Å; E164-E166 VanDerWaalsContact O-N 3.17Å; E164-K357 IonicContact OE1-NZ 2.81Å; E164-K357 PolarHBondContact OE1-NZ 3.31Å; E164-K357 IonicContact OE2-NZ 3.45Å; E164-K357 PolarHBondContact OE2-NZ 3.47Å; E164-I792 HydrophobicContact CG-CD1 4.43Å; E164-I792 WeakPolarHBondContact O-CG1 3.38Å
165	R	65.6	Low	62.6	Low	158 Å²	158	119.8 Å²	119.8	60%	0.596	61%	0.607	S	S	*	*			trans	-67.5	-11.6	-172.1	-64.5	177.8	178.6	-166.5	-5.6	114.7	P163	P163-R165 HydrophobicContact CB-CG 4.14Å; P163-R165 PolarHBondContact O-N 3.23Å
166	E	78.4	Confident	63.9	Low	161 Å²	161	119.7 Å²	119.7	75%	0.752	60%	0.601	S	S	*	*			trans	-102.1	97	-173.6	-67.9	-169	177.5	0	0	113.2	E164 K350	E164-E166 PolarHBondContact O-N 2.95Å; E164-E166 VanDerWaalsContact O-N 3.17Å; E166-K350 PolarHBondContact O-NZ 3.41Å
167	Y	91.1	Very high	65.6	Low	14 Å²	14	118.9 Å²	118.9	6%	0.055	60%	0.595	C	S	.	*			trans	-122.1	163.8	169.2	70.1	-85.6	0	0	0	111.6	R169 N347 I792 A795 Y796 E799	Y167-R169 HydrophobicContact CD2-CG 4.11Å; Y167-R169 VanDerWaalsContact CE1-CZ 3.47Å; Y167-R169 VanDerWaalsContact CE1-NH2 3.27Å; Y167-R169 HydrophobicContact CE2-CG 3.6Å; Y167-R169 PolarHBondContact O-N 3.44Å; Y167-N347 WeakPolarHBondContact CB-OD1 3.45Å; Y167-I792 HydrophobicContact CD1-CB 4.33Å; Y167-I792 HydrophobicContact CD1-CG1 4.24Å; Y167-I792 HydrophobicContact CD1-CG2 4.02Å; Y167-I792 HydrophobicContact CD2-CG2 4.22Å; Y167-I792 HydrophobicContact CG-CB 4.48Å; Y167-I792 HydrophobicContact CG-CG1 4.5Å; Y167-I792 HydrophobicContact CG-CG2 3.72Å; Y167-A795 HydrophobicContact CD1-CB 4.48Å; Y167-A795 HydrophobicContact CE1-CB 3.41Å; Y167-A795 VanDerWaalsContact CE1-CB 3.41Å; Y167-A795 WeakPolarHBondContact OH-CB 3.39Å; Y167-Y796 WeakPolarHBondContact OH-CA 3.38Å; Y167-Y796 PolarHBondContact OH-N 3.34Å; Y167-E799 PolarHBondContact OH-OE1 3.47Å; Y167-E799 PolarHBondContact OH-OE2 3.27Å
168	Q	91.4	Very high	67.3	Low	104 Å²	104	110.8 Å²	110.8	49%	0.486	56%	0.559	S	S	.	*			trans	-77.5	121.4	-179.3	-59.9	-171.3	10.1	0	0	109.9	L346 N347	Q168-L346 HydrophobicContact CB-CB 4.07Å; Q168-L346 HydrophobicContact CB-CD1 4.29Å; Q168-N347 PolarHBondContact N-OD1 2.9Å; Q168-N347 PolarHBondContact O-ND2 3.31Å
169	R	90.3	Very high	68.9	Low	111 Å²	111	103.4 Å²	103.4	42%	0.419	54%	0.537	S	S	.	.			trans	-102.8	145.4	179.6	-69.1	174.4	174.4	84.8	-7.5	110.7	Y167 E799	Y167-R169 HydrophobicContact CD2-CG 4.11Å; Y167-R169 VanDerWaalsContact CE1-CZ 3.47Å; Y167-R169 VanDerWaalsContact CE1-NH2 3.27Å; Y167-R169 HydrophobicContact CE2-CG 3.6Å; Y167-R169 PolarHBondContact O-N 3.44Å; R169-E799 WeakPolarHBondContact CD-OE2 3.47Å; R169-E799 IonicContact CZ-OE1 3.39Å; R169-E799 VanDerWaalsContact CZ-OE1 3.31Å; R169-E799 IonicContact CZ-OE2 3.96Å; R169-E799 VanDerWaalsContact NE-CD 3.32Å; R169-E799 IonicContact NE-OE1 2.67Å; R169-E799 PolarHBondContact NE-OE1 2.69Å; R169-E799 IonicContact NE-OE2 2.68Å; R169-E799 PolarHBondContact NE-OE2 2.8Å; R169-E799 IonicContact NH2-OE1 3.63Å; R169-E799 PolarHBondContact NH2-OE1 2.79Å; R169-E799 IonicContact NH2-OE2 3.9Å
170	V	86.1	Confident	70.9	Confident	59 Å²	59	95.4 Å²	95.4	36%	0.358	51%	0.509	S	S	.	.			trans	-112	101.9	174.7	-178.9	0	0	0	0	108.6	M342 L346	V170-M342 HydrophobicContact CG2-CG 3.8Å; V170-L346 HydrophobicContact CG2-CD1 3.64Å
171	T	81.3	Confident	73.1	Confident	115 Å²	115	92.1 Å²	92.1	71%	0.706	50%	0.496	S	S	*	.			trans	-97.7	131.3	177.4	50.1	0	0	0	0	110.8
172	I	79.9	Confident	74.7	Confident	85 Å²	85	92.5 Å²	92.5	44%	0.436	49%	0.492	S	S	.	.			trans	-100.3	119.4	175.4	-60.5	-174	0	0	0	110	K177 Y335	I172-K177 WeakPolarHBondContact O-CE 3.45Å; I172-Y335 HydrophobicContact CD1-CD2 4.36Å; I172-Y335 HydrophobicContact CD1-CE2 3.51Å
173	S	76.7	Confident	76.4	Confident	109 Å²	109	91.1 Å²	91.1	76%	0.762	48%	0.484	S	S	*	.			trans	-116.3	152.3	179.7	57.8	0	0	0	0	111.7
174	G	71.3	Confident	77.8	Confident	52 Å²	52	92.2 Å²	92.2	54%	0.536	49%	0.487	S	S	.	.	S	Bend	trans	134.2	179	-176.3	0	0	0	0	0	110.8	K177	G174-K177 WeakPolarHBondContact O-CE 2.91Å; G174-K177 WeakPolarHBondContact O-CG 3.19Å
175	E	61	Low	79.3	Confident	200 Å²	200	89.6 Å²	89.6	94%	0.935	48%	0.475	S	S	*	.	S	Bend	trans	-83.3	-37.1	175	-67.4	171.9	-176.6	0	0	110.8	K177	E175-K177 VanDerWaalsContact C-N 3.3Å; E175-K177 PolarHBondContact O-N 2.79Å; E175-K177 VanDerWaalsContact O-N 3.13Å
176	E	67.7	Low	80.5	Confident	170 Å²	170	83 Å²	83	79%	0.794	45%	0.451	S	S	*	.			trans	-85.3	32.1	-176.7	-57.4	-173.2	160.9	0	0	114.9	C178 G179	E176-C178 PolarHBondContact O-N 3.29Å; E176-G179 PolarHBondContact O-N 3.22Å
177	K	69.9	Low	81	Confident	121 Å²	121	78.6 Å²	78.6	53%	0.526	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-30	-173	-62.8	-178.4	-176.9	175.6	0	114.9	I172 G174 E175	I172-K177 WeakPolarHBondContact O-CE 3.45Å; G174-K177 WeakPolarHBondContact O-CE 2.91Å; G174-K177 WeakPolarHBondContact O-CG 3.19Å; E175-K177 VanDerWaalsContact C-N 3.3Å; E175-K177 PolarHBondContact O-N 2.79Å; E175-K177 VanDerWaalsContact O-N 3.13Å
178	C	71.8	Confident	81.1	Confident	13 Å²	13	78 Å²	78	9%	0.088	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-12.5	-179.9	56.2	0	0	0	0	113.3	E176 V180 L185 L807	E176-C178 PolarHBondContact O-N 3.29Å; C178-V180 HydrophobicContact CB-CG2 3.95Å; C178-V180 PolarHBondContact O-N 2.84Å; C178-V180 PolarHBondContact SG-O 2.88Å; C178-L185 HydrophobicContact CB-CD1 4.35Å; C178-L185 HydrophobicContact CB-CD2 4.31Å; C178-L807 HydrophobicContact CB-CD1 4.33Å
179	G	72.3	Confident	81.2	Confident	47 Å²	47	73.1 Å²	73.1	49%	0.485	41%	0.408	S	S	.	.	S	Bend	trans	65.6	14.8	-175.4	0	0	0	0	0	114.7	E176 R331	E176-G179 PolarHBondContact O-N 3.22Å; G179-R331 PolarHBondContact O-NH1 3.26Å
180	V	80.2	Confident	81.4	Confident	26 Å²	26	68.4 Å²	68.4	16%	0.158	39%	0.391	C	S	.	.	S	Bend	trans	-132.5	157.9	177.7	-65.8	0	0	0	0	109.9	C178 D184 L185 F328	C178-V180 HydrophobicContact CB-CG2 3.95Å; C178-V180 PolarHBondContact O-N 2.84Å; C178-V180 PolarHBondContact SG-O 2.88Å; V180-D184 HydrophobicContact CB-CB 4.3Å; V180-L185 HydrophobicContact CG2-CB 4.01Å; V180-F328 HydrophobicContact CG2-CD2 4.22Å
181	P	84.7	Confident	81.8	Confident	75 Å²	75	65.8 Å²	65.8	49%	0.487	38%	0.375	S	S	.	.			trans	-55.4	149.8	169.7	-24.1	34.6	0	0	0	112.1	T183 D184 L185	P181-T183 VanDerWaalsContact C-N 3.25Å; P181-T183 PolarHBondContact O-N 2.74Å; P181-D184 PolarHBondContact O-N 2.9Å; P181-D184 VanDerWaalsContact O-N 3.08Å; P181-L185 PolarHBondContact O-N 2.87Å
182	F	85.4	Confident	82.5	Confident	83 Å²	83	60.4 Å²	60.4	36%	0.364	34%	0.342	S	S	.	.	H	α-helix	trans	-58.7	-36.4	179.6	179.7	-103.2	0	0	0	112.7	D184 L185 L186 A811 T814	F182-D184 VanDerWaalsContact C-N 3.34Å; F182-D184 PolarHBondContact O-N 3.4Å; F182-L185 HydrophobicContact CD2-CD2 4.33Å; F182-L185 WeakPolarHBondContact O-CB 3.34Å; F182-L185 PolarHBondContact O-N 3.18Å; F182-L186 HydrophobicContact CE1-CD2 4.37Å; F182-L186 WeakPolarHBondContact O-CB 3.38Å; F182-L186 PolarHBondContact O-N 2.71Å; F182-A811 HydrophobicContact CE2-CB 4.48Å; F182-T814 HydrophobicContact CE2-CG2 4.39Å; F182-T814 HydrophobicContact CZ-CG2 3.92Å
183	T	85.1	Confident	83.3	Confident	92 Å²	92	56.4 Å²	56.4	56%	0.564	32%	0.321	S	S	*	.	H	α-helix	trans	-58.9	-43.3	174.6	51.5	0	0	0	0	112.7	P181 L186 D187	P181-T183 VanDerWaalsContact C-N 3.25Å; P181-T183 PolarHBondContact O-N 2.74Å; T183-L186 PolarHBondContact O-N 3.1Å; T183-D187 PolarHBondContact O-N 3.2Å
184	D	86.1	Confident	84.2	Confident	77 Å²	77	52.3 Å²	52.3	41%	0.412	29%	0.29	S	S	.	.	H	α-helix	trans	-73.2	-35	-178.3	-62.6	9.3	0	0	0	110.7	V180 P181 F182 A188	V180-D184 HydrophobicContact CB-CB 4.3Å; P181-D184 PolarHBondContact O-N 2.9Å; P181-D184 VanDerWaalsContact O-N 3.08Å; F182-D184 VanDerWaalsContact C-N 3.34Å; F182-D184 PolarHBondContact O-N 3.4Å; D184-A188 WeakPolarHBondContact O-CB 3.21Å; D184-A188 PolarHBondContact O-N 3.02Å; D184-A188 VanDerWaalsContact O-N 3.14Å
185	L	89.8	Confident	85.4	Confident	10 Å²	10	49.9 Å²	49.9	5%	0.052	26%	0.264	C	S	.	.	H	α-helix	trans	-62.5	-47.1	170.1	170.7	64.8	0	0	0	110.9	C178 V180 P181 F182 A188 A189 F328 L807 A811	C178-L185 HydrophobicContact CB-CD1 4.35Å; C178-L185 HydrophobicContact CB-CD2 4.31Å; V180-L185 HydrophobicContact CG2-CB 4.01Å; P181-L185 PolarHBondContact O-N 2.87Å; F182-L185 HydrophobicContact CD2-CD2 4.33Å; F182-L185 WeakPolarHBondContact O-CB 3.34Å; F182-L185 PolarHBondContact O-N 3.18Å; L185-A188 PolarHBondContact O-N 2.88Å; L185-A189 WeakPolarHBondContact O-CB 3.39Å; L185-A189 PolarHBondContact O-N 3.06Å; L185-F328 HydrophobicContact CD1-CD2 4.5Å; L185-F328 HydrophobicContact CD1-CE2 3.52Å; L185-F328 HydrophobicContact CD1-CZ 3.77Å; L185-L807 HydrophobicContact CD1-CD1 4.1Å; L185-L807 HydrophobicContact CD1-CG 4.09Å; L185-L807 HydrophobicContact CD2-CD1 4.04Å; L185-A811 HydrophobicContact CD1-CB 4.48Å; L185-A811 HydrophobicContact CD2-CB 4Å; L185-A811 HydrophobicContact CG-CB 3.87Å
186	L	90.6	Very high	87.1	Confident	19 Å²	19	40.4 Å²	40.4	10%	0.099	22%	0.22	C	C	.	.	H	α-helix	trans	-63.3	-50.3	-177.7	178.5	62.8	0	0	0	111.8	F182 T183 A188 A189 K190 A811 I812 D815	F182-L186 HydrophobicContact CE1-CD2 4.37Å; F182-L186 WeakPolarHBondContact O-CB 3.38Å; F182-L186 PolarHBondContact O-N 2.71Å; T183-L186 PolarHBondContact O-N 3.1Å; L186-A188 VanDerWaalsContact C-N 3.3Å; L186-A188 PolarHBondContact O-N 3.25Å; L186-A189 PolarHBondContact O-N 3.19Å; L186-K190 HydrophobicContact CD1-CD 4.47Å; L186-K190 HydrophobicContact CD1-CG 4.41Å; L186-K190 WeakPolarHBondContact O-CG 3.47Å; L186-K190 PolarHBondContact O-N 3.39Å; L186-A811 WeakPolarHBondContact CD1-O 3.36Å; L186-I812 HydrophobicContact CD1-CG1 4.48Å; L186-D815 HydrophobicContact CD1-CB 3.75Å; L186-D815 HydrophobicContact CD2-CB 3.85Å; L186-D815 HydrophobicContact CG-CB 4.47Å
187	D	89.6	Confident	88.5	Confident	69 Å²	69	33.4 Å²	33.4	37%	0.369	19%	0.187	S	C	.	.	H	α-helix	trans	-59	-42.7	176.6	-102.7	9.3	0	0	0	111.1	T183 C191	T183-D187 PolarHBondContact O-N 3.2Å; D187-C191 PolarHBondContact O-N 3.15Å; D187-C191 VanDerWaalsContact O-N 3.13Å; D187-C191 PolarHBondContact O-SG 3.24Å
188	A	92.8	Very high	89.8	Confident	2 Å²	2	28.1 Å²	28.1	2%	0.017	16%	0.164	C	C	.	.	H	α-helix	trans	-68.7	-38.6	177.3	0	0	0	0	0	112.8	D184 L185 L186 C191 V192 F328	D184-A188 WeakPolarHBondContact O-CB 3.21Å; D184-A188 PolarHBondContact O-N 3.02Å; D184-A188 VanDerWaalsContact O-N 3.14Å; L185-A188 PolarHBondContact O-N 2.88Å; L186-A188 VanDerWaalsContact C-N 3.3Å; L186-A188 PolarHBondContact O-N 3.25Å; A188-C191 WeakPolarHBondContact O-CB 3.45Å; A188-C191 PolarHBondContact O-N 3.31Å; A188-V192 WeakPolarHBondContact O-CB 3.34Å; A188-V192 VanDerWaalsContact O-CG2 3.32Å; A188-V192 WeakPolarHBondContact O-CG2 3.25Å; A188-V192 PolarHBondContact O-N 2.93Å; A188-F328 HydrophobicContact CB-CB 3.85Å; A188-F328 HydrophobicContact CB-CD1 3.6Å; A188-F328 HydrophobicContact CB-CD2 4.29Å; A188-F328 HydrophobicContact CB-CE1 4.22Å; A188-F328 HydrophobicContact CB-CG 3.63Å
189	A	93.9	Very high	91	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.9	-47.4	176	0	0	0	0	0	111.4	L185 L186 C191 V192 V193 I808 A811 I812	L185-A189 WeakPolarHBondContact O-CB 3.39Å; L185-A189 PolarHBondContact O-N 3.06Å; L186-A189 PolarHBondContact O-N 3.19Å; A189-C191 VanDerWaalsContact C-N 3.29Å; A189-C191 PolarHBondContact O-N 3.41Å; A189-V192 PolarHBondContact O-N 2.89Å; A189-V193 WeakPolarHBondContact O-CB 3Å; A189-V193 WeakPolarHBondContact O-CG2 3.24Å; A189-V193 PolarHBondContact O-N 3.1Å; A189-I808 HydrophobicContact CB-CB 3.99Å; A189-I808 HydrophobicContact CB-CG2 4.28Å; A189-I808 WeakPolarHBondContact CB-O 3.38Å; A189-A811 HydrophobicContact CB-CB 4.01Å; A189-I812 HydrophobicContact CB-CD1 4.4Å; A189-I812 HydrophobicContact CB-CG1 4.14Å
190	K	93.6	Very high	92.2	Very high	13 Å²	13	25.9 Å²	25.9	6%	0.057	14%	0.14	C	C	.	.	H	α-helix	trans	-56.7	-42.8	174.5	-70.4	-175.1	-175.7	-161.7	0	111.5	D64 L65 R66 T67 L186 K194 I812 D815	D64-K190 WeakPolarHBondContact O-CD 3.48Å; D64-K190 WeakPolarHBondContact O-CE 3.5Å; D64-K190 PolarHBondContact O-NZ 3.29Å; L65-K190 HydrophobicContact CD2-CB 4.42Å; L65-K190 HydrophobicContact CD2-CG 4.24Å; R66-K190 WeakPolarHBondContact O-CD 3.45Å; T67-K190 HydrophobicContact CG2-CB 4.03Å; L186-K190 HydrophobicContact CD1-CD 4.47Å; L186-K190 HydrophobicContact CD1-CG 4.41Å; L186-K190 WeakPolarHBondContact O-CG 3.47Å; L186-K190 PolarHBondContact O-N 3.39Å; K190-K194 VanDerWaalsContact O-CB 3.23Å; K190-K194 WeakPolarHBondContact O-CB 3.35Å; K190-K194 PolarHBondContact O-N 2.92Å; K190-I812 HydrophobicContact CG-CD1 4.35Å; K190-I812 HydrophobicContact CG-CG1 4.08Å; K190-D815 VanDerWaalsContact CE-OD2 3.3Å; K190-D815 WeakPolarHBondContact CE-OD2 3.35Å; K190-D815 IonicContact NZ-OD2 2.65Å; K190-D815 PolarHBondContact NZ-OD2 3.41Å
191	C	94.6	Very high	92.9	Very high	4 Å²	4	27 Å²	27	3%	0.027	14%	0.143	C	C	.	.	H	α-helix	trans	-61.4	-50.2	174.6	-69.9	0	0	0	0	113.1	M69 D187 A188 A189 K194 A195 L319 V325	M69-C191 WeakPolarHBondContact CE-SG 3.3Å; D187-C191 PolarHBondContact O-N 3.15Å; D187-C191 VanDerWaalsContact O-N 3.13Å; D187-C191 PolarHBondContact O-SG 3.24Å; A188-C191 WeakPolarHBondContact O-CB 3.45Å; A188-C191 PolarHBondContact O-N 3.31Å; A189-C191 VanDerWaalsContact C-N 3.29Å; A189-C191 PolarHBondContact O-N 3.41Å; C191-K194 PolarHBondContact O-N 3.38Å; C191-A195 PolarHBondContact O-N 2.84Å; C191-A195 VanDerWaalsContact O-N 3.11Å; C191-L319 HydrophobicContact CB-CD1 4.49Å; C191-L319 HydrophobicContact CB-CD2 3.73Å; C191-L319 VanDerWaalsContact O-CD1 3.31Å; C191-L319 WeakPolarHBondContact O-CD1 3.43Å; C191-V325 HydrophobicContact CB-CG1 4.29Å; C191-V325 HydrophobicContact CB-CG2 3.75Å
192	V	96.6	Very high	93.5	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.012	12%	0.119	C	C	.	.	H	α-helix	trans	-65.1	-44.5	-178.1	168.7	0	0	0	0	111.1	A188 A189 A195 L196 Y675 L676 L679 I808	A188-V192 WeakPolarHBondContact O-CB 3.34Å; A188-V192 VanDerWaalsContact O-CG2 3.32Å; A188-V192 WeakPolarHBondContact O-CG2 3.25Å; A188-V192 PolarHBondContact O-N 2.93Å; A189-V192 PolarHBondContact O-N 2.89Å; V192-A195 WeakPolarHBondContact O-CB 3.38Å; V192-A195 PolarHBondContact O-N 3.14Å; V192-L196 HydrophobicContact CG1-CD1 4.22Å; V192-L196 WeakPolarHBondContact O-CG 3.38Å; V192-L196 PolarHBondContact O-N 2.93Å; V192-Y675 HydrophobicContact CG1-CE1 4.37Å; V192-Y675 HydrophobicContact CG2-CD1 4.38Å; V192-Y675 HydrophobicContact CG2-CE1 4.47Å; V192-L676 HydrophobicContact CG1-CD2 3.91Å; V192-L679 HydrophobicContact CG1-CD1 3.47Å; V192-L679 VanDerWaalsContact CG1-CD1 3.47Å; V192-I808 HydrophobicContact CG1-CD1 3.72Å
193	V	96.1	Very high	94.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64.9	-39.6	177.6	167.2	0	0	0	0	111.6	L65 A189 A195 L196 F197 L218 L221 I808 I812	L65-V193 HydrophobicContact CD1-CG1 4.3Å; L65-V193 HydrophobicContact CD2-CG1 4.24Å; A189-V193 WeakPolarHBondContact O-CB 3Å; A189-V193 WeakPolarHBondContact O-CG2 3.24Å; A189-V193 PolarHBondContact O-N 3.1Å; V193-A195 VanDerWaalsContact C-N 3.32Å; V193-A195 PolarHBondContact O-N 2.79Å; V193-L196 PolarHBondContact O-N 3.48Å; V193-F197 HydrophobicContact CG1-CD2 3.65Å; V193-F197 HydrophobicContact CG1-CE2 3.41Å; V193-F197 VanDerWaalsContact CG1-CE2 3.41Å; V193-F197 HydrophobicContact CG1-CZ 4.44Å; V193-F197 WeakPolarHBondContact O-CD2 3.49Å; V193-F197 PolarHBondContact O-N 3.28Å; V193-L218 HydrophobicContact CG1-CD2 3.98Å; V193-L221 HydrophobicContact CG1-CD1 3.83Å; V193-L221 HydrophobicContact CG2-CD1 4.28Å; V193-I808 HydrophobicContact CG2-CB 4.44Å; V193-I808 HydrophobicContact CG2-CD1 3.97Å; V193-I808 HydrophobicContact CG2-CG1 4.21Å; V193-I812 HydrophobicContact CB-CD1 3.81Å; V193-I812 HydrophobicContact CG1-CD1 4.04Å; V193-I812 HydrophobicContact CG2-CD1 3.65Å
194	K	94.6	Very high	94.5	Very high	24 Å²	24	15.6 Å²	15.6	10%	0.104	8%	0.08	C	C	.	.	H	α-helix	trans	-59.3	-41.5	173	-169.9	172.7	-169.9	167.2	0	111.9	D70 Y73 K190 C191 I198 V315	D70-K194 IonicContact OD1-NZ 3.67Å; D70-K194 PolarHBondContact OD1-NZ 3.38Å; D70-K194 IonicContact OD2-NZ 3.41Å; Y73-K194 PolarHBondContact OH-NZ 3.39Å; K190-K194 VanDerWaalsContact O-CB 3.23Å; K190-K194 WeakPolarHBondContact O-CB 3.35Å; K190-K194 PolarHBondContact O-N 2.92Å; C191-K194 PolarHBondContact O-N 3.38Å; K194-I198 WeakPolarHBondContact O-CG1 3.29Å; K194-I198 PolarHBondContact O-N 2.91Å; K194-V315 HydrophobicContact CD-CG1 4.26Å; K194-V315 HydrophobicContact CG-CG1 4.49Å
195	A	97.2	Very high	95	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65.9	-40.3	174.5	0	0	0	0	0	113.1	C191 V192 V193 I198 R199 M316 L319 F655 L676	C191-A195 PolarHBondContact O-N 2.84Å; C191-A195 VanDerWaalsContact O-N 3.11Å; V192-A195 WeakPolarHBondContact O-CB 3.38Å; V192-A195 PolarHBondContact O-N 3.14Å; V193-A195 VanDerWaalsContact C-N 3.32Å; V193-A195 PolarHBondContact O-N 2.79Å; A195-I198 WeakPolarHBondContact O-CB 3.31Å; A195-I198 PolarHBondContact O-N 2.95Å; A195-R199 PolarHBondContact O-N 3.24Å; A195-M316 HydrophobicContact CB-CE 3.93Å; A195-M316 HydrophobicContact CB-SD 3.52Å; A195-M316 VanDerWaalsContact CB-SD 3.52Å; A195-L319 HydrophobicContact CB-CD1 3.84Å; A195-F655 HydrophobicContact CB-CE1 4.39Å; A195-F655 WeakPolarHBondContact O-CE1 3.36Å; A195-L676 HydrophobicContact CB-CD1 3.72Å; A195-L676 HydrophobicContact CB-CD2 3.7Å; A195-L676 HydrophobicContact CB-CG 4.4Å
196	L	97.8	Very high	95.2	Very high	1 Å²	1	13 Å²	13	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-65.7	-41.3	176.6	-68.5	172.9	0	0	0	112.1	V192 V193 I198 R199 Q200 T214 L218 L676 L679 A680 I808	V192-L196 HydrophobicContact CG1-CD1 4.22Å; V192-L196 WeakPolarHBondContact O-CG 3.38Å; V192-L196 PolarHBondContact O-N 2.93Å; V193-L196 PolarHBondContact O-N 3.48Å; L196-I198 VanDerWaalsContact C-N 3.34Å; L196-I198 PolarHBondContact O-N 3.07Å; L196-R199 PolarHBondContact O-N 3.11Å; L196-Q200 PolarHBondContact O-N 3.25Å; L196-T214 HydrophobicContact CD1-CG2 4.11Å; L196-T214 HydrophobicContact CD2-CG2 4.28Å; L196-L218 HydrophobicContact CB-CD1 3.92Å; L196-L218 HydrophobicContact CB-CD2 4.14Å; L196-L218 HydrophobicContact CD1-CD2 4.5Å; L196-L676 HydrophobicContact CD2-CD2 4.05Å; L196-L676 HydrophobicContact CG-CD2 4.02Å; L196-L679 HydrophobicContact CD1-CB 4.3Å; L196-L679 HydrophobicContact CD1-CD1 4.23Å; L196-L679 HydrophobicContact CD2-CB 4.15Å; L196-A680 HydrophobicContact CD2-CB 4.02Å; L196-I808 HydrophobicContact CD1-CD1 4.08Å
197	F	96.2	Very high	95.5	Very high	24 Å²	24	13.3 Å²	13.3	11%	0.105	7%	0.068	C	C	.	.	H	α-helix	trans	-63	-37.4	172.4	-80.7	-55	0	0	0	112.8	L65 V193 Q200 K201 L218 L221	L65-F197 HydrophobicContact CD1-CD2 3.9Å; L65-F197 HydrophobicContact CD1-CE2 4.03Å; V193-F197 HydrophobicContact CG1-CD2 3.65Å; V193-F197 HydrophobicContact CG1-CE2 3.41Å; V193-F197 VanDerWaalsContact CG1-CE2 3.41Å; V193-F197 HydrophobicContact CG1-CZ 4.44Å; V193-F197 WeakPolarHBondContact O-CD2 3.49Å; V193-F197 PolarHBondContact O-N 3.28Å; F197-Q200 PolarHBondContact O-N 3.31Å; F197-K201 WeakPolarHBondContact O-CB 3.41Å; F197-K201 PolarHBondContact O-N 2.78Å; F197-L218 HydrophobicContact CD1-CB 4.4Å; F197-L218 HydrophobicContact CD1-CD1 4.41Å; F197-L218 HydrophobicContact CD1-CD2 4.44Å; F197-L218 HydrophobicContact CD2-CD2 4.42Å; F197-L218 HydrophobicContact CE1-CB 3.74Å; F197-L218 HydrophobicContact CE1-CD2 4.2Å; F197-L218 HydrophobicContact CE1-CG 4.37Å; F197-L218 HydrophobicContact CE2-CD2 4.17Å; F197-L218 HydrophobicContact CZ-CB 4.06Å; F197-L218 HydrophobicContact CZ-CD2 4.05Å; F197-L221 HydrophobicContact CZ-CB 4.5Å
198	I	96.7	Very high	95.8	Very high	9 Å²	9	10.1 Å²	10.1	5%	0.046	5%	0.051	C	C	.	.	H	α-helix	trans	-57.3	-54.5	170.7	-72.4	167.7	0	0	0	108.9	K194 A195 L196 Q200 K201 Y202 D312 V315 M316 M656	K194-I198 WeakPolarHBondContact O-CG1 3.29Å; K194-I198 PolarHBondContact O-N 2.91Å; A195-I198 WeakPolarHBondContact O-CB 3.31Å; A195-I198 PolarHBondContact O-N 2.95Å; L196-I198 VanDerWaalsContact C-N 3.34Å; L196-I198 PolarHBondContact O-N 3.07Å; I198-Q200 PolarHBondContact O-N 3.19Å; I198-K201 WeakPolarHBondContact O-CB 3.35Å; I198-K201 PolarHBondContact O-N 2.83Å; I198-Y202 HydrophobicContact CG2-CD2 4.13Å; I198-Y202 HydrophobicContact CG2-CE2 3.99Å; I198-Y202 VanDerWaalsContact O-CD2 3.28Å; I198-Y202 WeakPolarHBondContact O-CD2 3.33Å; I198-Y202 PolarHBondContact O-N 3.05Å; I198-D312 HydrophobicContact CD1-CB 4.3Å; I198-D312 HydrophobicContact CG1-CB 4.49Å; I198-D312 HydrophobicContact CG2-CB 4.04Å; I198-V315 HydrophobicContact CD1-CB 4.17Å; I198-V315 HydrophobicContact CD1-CG1 3.96Å; I198-M316 HydrophobicContact CD1-CG 4.32Å; I198-M316 HydrophobicContact CD1-SD 4.19Å; I198-M316 HydrophobicContact CG2-CG 4.43Å; I198-M656 HydrophobicContact CG2-CE 4.27Å; I198-M656 HydrophobicContact CG2-CG 4.05Å
199	R	97.6	Very high	95.7	Very high	4 Å²	4	13.1 Å²	13.1	2%	0.015	7%	0.072	C	C	.	.	H	α-helix	trans	-58.4	-46.5	179.1	179.8	174.4	172.1	79.1	2	112.9	A195 L196 K201 Y202 M203 F210 F655 S658 E659 I682	A195-R199 PolarHBondContact O-N 3.24Å; L196-R199 PolarHBondContact O-N 3.11Å; R199-K201 PolarHBondContact O-N 2.76Å; R199-Y202 PolarHBondContact O-N 3.27Å; R199-Y202 VanDerWaalsContact O-N 3.12Å; R199-M203 HydrophobicContact CG-CG 3.87Å; R199-M203 VanDerWaalsContact CZ-SD 3.6Å; R199-M203 PolarHBondContact NH2-SD 2.95Å; R199-M203 VanDerWaalsContact NH2-SD 3.39Å; R199-M203 WeakPolarHBondContact O-CG 3.49Å; R199-M203 PolarHBondContact O-N 3.18Å; R199-F210 HydrophobicContact CB-CE2 4.22Å; R199-F210 HydrophobicContact CG-CD2 4.11Å; R199-F210 HydrophobicContact CG-CE2 3.89Å; R199-F655 HydrophobicContact CB-CD1 4.45Å; R199-F655 HydrophobicContact CB-CE1 3.75Å; R199-F655 HydrophobicContact CB-CE2 4.38Å; R199-F655 HydrophobicContact CB-CZ 3.7Å; R199-F655 WeakPolarHBondContact CD-O 3.33Å; R199-F655 HydrophobicContact CG-CZ 4.39Å; R199-F655 WeakPolarHBondContact CG-O 3.46Å; R199-F655 PolarHBondContact NH1-O 2.98Å; R199-S658 PolarHBondContact NH1-O 3.42Å; R199-S658 PolarHBondContact NH2-O 3.44Å; R199-E659 PolarHBondContact NH2-O 3.17Å; R199-I682 VanDerWaalsContact CZ-CD1 3.46Å
200	Q	96.3	Very high	95.8	Very high	10 Å²	10	14.1 Å²	14.1	5%	0.047	8%	0.076	C	C	.	.	H	α-helix	trans	-56.6	-40.5	179.7	-170.8	179.3	14.2	0	0	111.5	L196 F197 I198 G204 F210 L226 D229	L196-Q200 PolarHBondContact O-N 3.25Å; F197-Q200 PolarHBondContact O-N 3.31Å; I198-Q200 PolarHBondContact O-N 3.19Å; Q200-G204 PolarHBondContact O-N 3.19Å; Q200-F210 HydrophobicContact CB-CD1 4.12Å; Q200-F210 HydrophobicContact CB-CD2 4.23Å; Q200-F210 HydrophobicContact CB-CE1 3.97Å; Q200-F210 HydrophobicContact CB-CE2 4.08Å; Q200-F210 HydrophobicContact CB-CG 4.25Å; Q200-F210 HydrophobicContact CB-CZ 3.94Å; Q200-F210 HydrophobicContact CG-CD1 3.76Å; Q200-F210 HydrophobicContact CG-CE1 3.96Å; Q200-F210 HydrophobicContact CG-CG 4.1Å; Q200-F210 HydrophobicContact CG-CZ 4.44Å; Q200-L226 HydrophobicContact CG-CD1 4.37Å; Q200-D229 PolarHBondContact NE2-OD2 3.42Å
201	K	95.4	Very high	95.9	Very high	49 Å²	49	16.8 Å²	16.8	21%	0.213	9%	0.086	C	C	.	.	H	α-helix	trans	-58.4	-48.3	175.1	-176.2	-177.1	68.1	176.2	0	112.3	F197 I198 R199 L205 E308 D312	F197-K201 WeakPolarHBondContact O-CB 3.41Å; F197-K201 PolarHBondContact O-N 2.78Å; I198-K201 WeakPolarHBondContact O-CB 3.35Å; I198-K201 PolarHBondContact O-N 2.83Å; R199-K201 PolarHBondContact O-N 2.76Å; K201-L205 HydrophobicContact CG-CD1 3.97Å; K201-L205 VanDerWaalsContact O-CB 3.26Å; K201-L205 WeakPolarHBondContact O-CB 3.45Å; K201-L205 WeakPolarHBondContact O-CG 3.48Å; K201-L205 PolarHBondContact O-N 2.75Å; K201-E308 WeakPolarHBondContact CE-OE1 3.39Å; K201-E308 IonicContact NZ-OE1 3.01Å; K201-E308 PolarHBondContact NZ-OE1 2.86Å; K201-D312 WeakPolarHBondContact CE-OD2 3.26Å; K201-D312 IonicContact NZ-OD1 3.71Å; K201-D312 PolarHBondContact NZ-OD1 2.85Å; K201-D312 IonicContact NZ-OD2 3.65Å; K201-D312 PolarHBondContact NZ-OD2 3.08Å
202	Y	97.9	Very high	95.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-72.2	-42.4	-179.4	-74.4	-92.7	0	0	0	112.3	I198 R199 G204 L205 S206 P304 Y309 D312 Y618 M656 L657	I198-Y202 HydrophobicContact CG2-CD2 4.13Å; I198-Y202 HydrophobicContact CG2-CE2 3.99Å; I198-Y202 VanDerWaalsContact O-CD2 3.28Å; I198-Y202 WeakPolarHBondContact O-CD2 3.33Å; I198-Y202 PolarHBondContact O-N 3.05Å; R199-Y202 PolarHBondContact O-N 3.27Å; R199-Y202 VanDerWaalsContact O-N 3.12Å; Y202-G204 PolarHBondContact O-N 3Å; Y202-L205 PolarHBondContact O-N 3.41Å; Y202-S206 PolarHBondContact O-N 3Å; Y202-S206 PolarHBondContact O-OG 3.01Å; Y202-P304 HydrophobicContact CD1-CG 3.95Å; Y202-P304 HydrophobicContact CE1-CB 3.79Å; Y202-P304 HydrophobicContact CE1-CG 3.51Å; Y202-Y309 HydrophobicContact CE1-CD2 4.12Å; Y202-Y309 VanDerWaalsContact OH-CA 3.31Å; Y202-Y309 WeakPolarHBondContact OH-CA 3.49Å; Y202-D312 HydrophobicContact CE2-CB 4.28Å; Y202-D312 WeakPolarHBondContact CE2-OD2 3.4Å; Y202-D312 PolarHBondContact OH-OD2 3.07Å; Y202-Y618 WeakPolarHBondContact CA-OH 3.45Å; Y202-Y618 AromaticContact CD1-CE1 3.85Å; Y202-Y618 HydrophobicContact CD1-CE1 3.85Å; Y202-Y618 HydrophobicContact CD1-CE2 4.37Å; Y202-Y618 AromaticContact CD1-CZ 3.68Å; Y202-Y618 HydrophobicContact CE1-CE1 4.46Å; Y202-Y618 PolarHBondContact O-OH 3.05Å; Y202-M656 WeakPolarHBondContact CB-O 3.43Å; Y202-M656 HydrophobicContact CD2-CE 4.41Å; Y202-M656 HydrophobicContact CE1-CE 4.46Å; Y202-M656 HydrophobicContact CE2-CE 3.73Å; Y202-L657 HydrophobicContact CD1-CD2 3.41Å; Y202-L657 VanDerWaalsContact CD1-CD2 3.41Å; Y202-L657 HydrophobicContact CE1-CD2 3.76Å; Y202-L657 HydrophobicContact CG-CD2 4.18Å
203	M	97.4	Very high	95.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-57	-52	176.8	-65.9	-56.9	92.6	0	0	110.6	R199 L205 S206 L207 Q208 F210 M656	R199-M203 HydrophobicContact CG-CG 3.87Å; R199-M203 VanDerWaalsContact CZ-SD 3.6Å; R199-M203 PolarHBondContact NH2-SD 2.95Å; R199-M203 VanDerWaalsContact NH2-SD 3.39Å; R199-M203 WeakPolarHBondContact O-CG 3.49Å; R199-M203 PolarHBondContact O-N 3.18Å; M203-L205 PolarHBondContact O-N 3.43Å; M203-S206 PolarHBondContact O-N 2.95Å; M203-S206 PolarHBondContact O-OG 2.91Å; M203-S206 VanDerWaalsContact O-OG 3.13Å; M203-L207 PolarHBondContact O-N 3.49Å; M203-L207 VanDerWaalsContact O-N 3.1Å; M203-Q208 CarbonylContact C-O 3.59Å; M203-Q208 WeakPolarHBondContact CB-O 3.26Å; M203-Q208 HydrophobicContact CE-CB 4.5Å; M203-Q208 PolarHBondContact O-N 2.85Å; M203-Q208 HydrophobicContact SD-CB 3.84Å; M203-F210 HydrophobicContact CB-CB 4.01Å; M203-F210 HydrophobicContact CB-CD2 4.41Å; M203-F210 HydrophobicContact CG-CB 4.42Å; M203-F210 HydrophobicContact CG-CD2 4.09Å; M203-M656 WeakPolarHBondContact CE-O 3.43Å
204	G	94.3	Very high	95.7	Very high	10 Å²	10	20.9 Å²	20.9	10%	0.103	10%	0.101	C	C	.	.	H	α-helix	trans	-61.2	-46	175.9	0	0	0	0	0	113.8	Q200 Y202 S206 L207 L228	Q200-G204 PolarHBondContact O-N 3.19Å; Y202-G204 PolarHBondContact O-N 3Å; G204-S206 PolarHBondContact O-N 3.46Å; G204-L207 PolarHBondContact O-N 2.75Å; G204-L228 VanDerWaalsContact O-CD2 3.26Å; G204-L228 WeakPolarHBondContact O-CD2 3.46Å
205	L	95.2	Very high	95.6	Very high	34 Å²	34	20.1 Å²	20.1	18%	0.178	10%	0.099	C	C	.	.	H	α-helix	trans	-56.3	-37.4	178.4	-84.3	172.4	0	0	0	112.2	K201 Y202 M203 P302 P304 T622 H626	K201-L205 HydrophobicContact CG-CD1 3.97Å; K201-L205 VanDerWaalsContact O-CB 3.26Å; K201-L205 WeakPolarHBondContact O-CB 3.45Å; K201-L205 WeakPolarHBondContact O-CG 3.48Å; K201-L205 PolarHBondContact O-N 2.75Å; Y202-L205 PolarHBondContact O-N 3.41Å; M203-L205 PolarHBondContact O-N 3.43Å; L205-P302 HydrophobicContact CD2-CB 4.3Å; L205-P304 HydrophobicContact CD1-CB 4.18Å; L205-P304 HydrophobicContact CD1-CG 4.36Å; L205-T622 WeakPolarHBondContact O-CG2 3.38Å; L205-H626 PolarHBondContact O-NE2 3.35Å
206	S	95.9	Very high	95.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-91.4	-2.4	-177.1	53.9	0	0	0	0	115.1	Y202 M203 G204 Q208 Y618 T622 N625	Y202-S206 PolarHBondContact O-N 3Å; Y202-S206 PolarHBondContact O-OG 3.01Å; M203-S206 PolarHBondContact O-N 2.95Å; M203-S206 PolarHBondContact O-OG 2.91Å; M203-S206 VanDerWaalsContact O-OG 3.13Å; G204-S206 PolarHBondContact O-N 3.46Å; S206-Q208 VanDerWaalsContact C-N 3.29Å; S206-Q208 WeakPolarHBondContact OG-CG 3.46Å; S206-Q208 PolarHBondContact OG-NE2 3.04Å; S206-Y618 VanDerWaalsContact CB-CE2 3.44Å; S206-Y618 WeakPolarHBondContact CB-OH 3.39Å; S206-Y618 WeakPolarHBondContact OG-CE2 3.5Å; S206-T622 VanDerWaalsContact CB-OG1 3.3Å; S206-T622 WeakPolarHBondContact CB-OG1 3.46Å; S206-N625 PolarHBondContact O-ND2 3.46Å
207	L	95.9	Very high	95.3	Very high	24 Å²	24	24.3 Å²	24.3	13%	0.126	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	42.3	-171.5	-50.3	177.1	0	0	0	111.9	M203 G204 N625 R629 T635	M203-L207 PolarHBondContact O-N 3.49Å; M203-L207 VanDerWaalsContact O-N 3.1Å; G204-L207 PolarHBondContact O-N 2.75Å; L207-N625 HydrophobicContact CD1-CB 4.31Å; L207-R629 HydrophobicContact CD1-CB 4.21Å; L207-T635 HydrophobicContact CB-CG2 4.17Å; L207-T635 HydrophobicContact CD1-CG2 3.96Å
208	Q	95.1	Very high	95.1	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.009	11%	0.111	C	C	.	.			trans	-106	152.7	170.7	-71.5	-176.1	108	0	0	109.3	M203 S206 M621 V637 L638 L657 E659	M203-Q208 CarbonylContact C-O 3.59Å; M203-Q208 WeakPolarHBondContact CB-O 3.26Å; M203-Q208 HydrophobicContact CE-CB 4.5Å; M203-Q208 PolarHBondContact O-N 2.85Å; M203-Q208 HydrophobicContact SD-CB 3.84Å; S206-Q208 VanDerWaalsContact C-N 3.29Å; S206-Q208 WeakPolarHBondContact OG-CG 3.46Å; S206-Q208 PolarHBondContact OG-NE2 3.04Å; Q208-M621 HydrophobicContact CG-CE 4.19Å; Q208-V637 HydrophobicContact CG-CB 4.27Å; Q208-V637 HydrophobicContact CG-CG1 4.15Å; Q208-L638 PolarHBondContact OE1-O 3.41Å; Q208-L657 PolarHBondContact NE2-O 3.14Å; Q208-E659 WeakPolarHBondContact CB-OE2 3.45Å; Q208-E659 VanDerWaalsContact OE1-N 3.09Å
209	S	92.6	Very high	94.7	Very high	65 Å²	65	26.4 Å²	26.4	46%	0.455	13%	0.125	S	C	.	.			trans	-72.7	141	-171.9	78.3	0	0	0	0	112.9	E659	S209-E659 PolarHBondContact N-OE2 3.13Å; S209-E659 PolarHBondContact OG-OE1 3.48Å
210	F	94.9	Very high	94.2	Very high	21 Å²	21	29.8 Å²	29.8	9%	0.092	14%	0.141	C	C	.	.			trans	-117	143	167.3	-169.9	-105.3	0	0	0	110.3	R199 Q200 M203 R212 T214 A215 L218 A680	R199-F210 HydrophobicContact CB-CE2 4.22Å; R199-F210 HydrophobicContact CG-CD2 4.11Å; R199-F210 HydrophobicContact CG-CE2 3.89Å; Q200-F210 HydrophobicContact CB-CD1 4.12Å; Q200-F210 HydrophobicContact CB-CD2 4.23Å; Q200-F210 HydrophobicContact CB-CE1 3.97Å; Q200-F210 HydrophobicContact CB-CE2 4.08Å; Q200-F210 HydrophobicContact CB-CG 4.25Å; Q200-F210 HydrophobicContact CB-CZ 3.94Å; Q200-F210 HydrophobicContact CG-CD1 3.76Å; Q200-F210 HydrophobicContact CG-CE1 3.96Å; Q200-F210 HydrophobicContact CG-CG 4.1Å; Q200-F210 HydrophobicContact CG-CZ 4.44Å; M203-F210 HydrophobicContact CB-CB 4.01Å; M203-F210 HydrophobicContact CB-CD2 4.41Å; M203-F210 HydrophobicContact CG-CB 4.42Å; M203-F210 HydrophobicContact CG-CD2 4.09Å; F210-R212 PolarHBondContact O-N 3.1Å; F210-R212 VanDerWaalsContact O-N 3.17Å; F210-T214 HydrophobicContact CE1-CG2 4.07Å; F210-T214 HydrophobicContact CZ-CG2 3.89Å; F210-A215 HydrophobicContact CD1-CB 3.88Å; F210-A215 HydrophobicContact CE1-CB 4.18Å; F210-L218 HydrophobicContact CE1-CD1 3.86Å; F210-L218 HydrophobicContact CZ-CD1 3.88Å; F210-A680 HydrophobicContact CE2-CB 4.39Å
211	Y	95.2	Very high	93.7	Very high	70 Å²	70	29.8 Å²	29.8	28%	0.275	14%	0.142	S	C	.	.			trans	-71.5	115.7	-168.5	-177.5	-109.4	0	0	0	112.5	T213 T214 A215 A680 Q681 M801	Y211-T213 WeakPolarHBondContact CE1-OG1 3.31Å; Y211-T213 PolarHBondContact O-N 3.26Å; Y211-T213 PolarHBondContact OH-OG1 3.09Å; Y211-T214 WeakPolarHBondContact O-CA 3.22Å; Y211-T214 WeakPolarHBondContact O-CB 3.37Å; Y211-T214 PolarHBondContact O-N 3.41Å; Y211-A215 PolarHBondContact O-N 3.34Å; Y211-A680 WeakPolarHBondContact CB-O 3.43Å; Y211-Q681 HydrophobicContact CD1-CB 3.98Å; Y211-Q681 HydrophobicContact CD1-CG 3.79Å; Y211-Q681 HydrophobicContact CD2-CB 3.76Å; Y211-Q681 HydrophobicContact CD2-CG 4.16Å; Y211-Q681 HydrophobicContact CE1-CB 4.32Å; Y211-Q681 HydrophobicContact CE1-CG 3.71Å; Y211-Q681 HydrophobicContact CE2-CB 4.13Å; Y211-Q681 HydrophobicContact CE2-CG 4.09Å; Y211-Q681 HydrophobicContact CG-CB 3.68Å; Y211-Q681 HydrophobicContact CG-CG 4.01Å; Y211-M801 HydrophobicContact CD1-SD 4.35Å; Y211-M801 HydrophobicContact CE1-CE 3.5Å; Y211-M801 VanDerWaalsContact CE1-CE 3.5Å; Y211-M801 HydrophobicContact CE1-SD 3.37Å; Y211-M801 WeakPolarHBondContact CE1-SD 3.43Å; Y211-M801 WeakPolarHBondContact OH-CE 3.45Å
212	R	91.9	Very high	92.6	Very high	89 Å²	89	28.9 Å²	28.9	34%	0.336	14%	0.141	S	C	.	.	H	α-helix	trans	-53.9	-41.8	-165.9	-160.1	176.3	-166.4	143.8	2.3	114.7	F210 T214 A215 R216 E233 E236 I775	F210-R212 PolarHBondContact O-N 3.1Å; F210-R212 VanDerWaalsContact O-N 3.17Å; R212-T214 VanDerWaalsContact C-N 3.33Å; R212-T214 PolarHBondContact O-N 2.89Å; R212-A215 WeakPolarHBondContact O-CB 3.25Å; R212-A215 PolarHBondContact O-N 2.67Å; R212-R216 PolarHBondContact O-N 3.09Å; R212-E233 IonicContact CZ-OE1 2.78Å; R212-E233 IonicContact NE-OE1 2.79Å; R212-E233 IonicContact NH2-OE1 3.92Å; R212-E233 PolarHBondContact NH2-OE1 3.25Å; R212-E236 IonicContact CZ-OE2 3.55Å; R212-E236 IonicContact NH1-OE2 3.55Å; R212-E236 PolarHBondContact NH1-OE2 2.99Å; R212-I775 VanDerWaalsContact NH1-CG2 3.32Å
213	T	94.4	Very high	90.7	Very high	2 Å²	2	37 Å²	37	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-64.2	-41.5	178.7	-41.1	0	0	0	0	111.4	Y211 R216 Y217 E777 Y798 M801 L805	Y211-T213 WeakPolarHBondContact CE1-OG1 3.31Å; Y211-T213 PolarHBondContact O-N 3.26Å; Y211-T213 PolarHBondContact OH-OG1 3.09Å; T213-R216 PolarHBondContact O-N 3.19Å; T213-Y217 HydrophobicContact CG2-CD2 4.1Å; T213-Y217 HydrophobicContact CG2-CE2 4.04Å; T213-Y217 VanDerWaalsContact O-CD2 3.25Å; T213-Y217 WeakPolarHBondContact O-CD2 3.26Å; T213-Y217 PolarHBondContact O-N 2.86Å; T213-E777 WeakPolarHBondContact CA-OE1 3.39Å; T213-E777 WeakPolarHBondContact CB-OE1 3.13Å; T213-E777 PolarHBondContact N-OE1 3.33Å; T213-E777 VanDerWaalsContact N-OE1 3.12Å; T213-E777 PolarHBondContact OG1-OE1 3.32Å; T213-Y798 HydrophobicContact CG2-CE2 3.7Å; T213-M801 HydrophobicContact CG2-CE 3.64Å; T213-L805 HydrophobicContact CG2-CD1 4.32Å
214	T	96.4	Very high	88.4	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-70.8	-36.7	177.2	-61.1	0	0	0	0	110.8	L196 F210 Y211 R212 Y217 L218 L679 L805	L196-T214 HydrophobicContact CD1-CG2 4.11Å; L196-T214 HydrophobicContact CD2-CG2 4.28Å; F210-T214 HydrophobicContact CE1-CG2 4.07Å; F210-T214 HydrophobicContact CZ-CG2 3.89Å; Y211-T214 WeakPolarHBondContact O-CA 3.22Å; Y211-T214 WeakPolarHBondContact O-CB 3.37Å; Y211-T214 PolarHBondContact O-N 3.41Å; R212-T214 VanDerWaalsContact C-N 3.33Å; R212-T214 PolarHBondContact O-N 2.89Å; T214-Y217 PolarHBondContact O-N 2.78Å; T214-L218 HydrophobicContact CG2-CD1 4.16Å; T214-L218 HydrophobicContact CG2-CG 4.46Å; T214-L218 VanDerWaalsContact O-CG 3.25Å; T214-L218 WeakPolarHBondContact O-CG 3.37Å; T214-L218 PolarHBondContact O-N 3.01Å; T214-L679 PolarHBondContact OG1-O 3.39Å; T214-L805 HydrophobicContact CG2-CD2 3.93Å; T214-L805 WeakPolarHBondContact OG1-CD1 3.49Å
215	A	94	Very high	86.2	Confident	8 Å²	8	49.3 Å²	49.3	7%	0.066	23%	0.233	C	C	.	.	H	α-helix	trans	-55.4	-51.7	170	0	0	0	0	0	111.2	F210 Y211 R212 Y217 L218 Q219	F210-A215 HydrophobicContact CD1-CB 3.88Å; F210-A215 HydrophobicContact CE1-CB 4.18Å; Y211-A215 PolarHBondContact O-N 3.34Å; R212-A215 WeakPolarHBondContact O-CB 3.25Å; R212-A215 PolarHBondContact O-N 2.67Å; A215-Y217 VanDerWaalsContact C-N 3.34Å; A215-Y217 PolarHBondContact O-N 3.31Å; A215-L218 CarbonylContact O-C 3.55Å; A215-L218 PolarHBondContact O-N 2.78Å; A215-Q219 WeakPolarHBondContact O-CG 3.33Å; A215-Q219 PolarHBondContact O-N 2.7Å
216	R	93.4	Very high	84.1	Confident	72 Å²	72	50.6 Å²	50.6	27%	0.272	24%	0.24	S	C	.	.	H	α-helix	trans	-56.1	-44.6	177.3	-177	174	57.2	64.6	-5.2	112.4	R212 T213 L218 Q219 E220 E777 Y798	R212-R216 PolarHBondContact O-N 3.09Å; T213-R216 PolarHBondContact O-N 3.19Å; R216-L218 VanDerWaalsContact C-N 3.32Å; R216-L218 PolarHBondContact O-N 3.16Å; R216-Q219 PolarHBondContact O-N 3.47Å; R216-E220 IonicContact NH1-OE1 2.76Å; R216-E220 PolarHBondContact NH1-OE1 3.31Å; R216-E220 WeakPolarHBondContact O-CB 3.28Å; R216-E220 PolarHBondContact O-N 3.25Å; R216-E777 IonicContact CZ-OE2 3.83Å; R216-E777 IonicContact NE-OE2 3.76Å; R216-E777 PolarHBondContact NE-OE2 3.33Å; R216-E777 IonicContact NH2-OE2 2.69Å; R216-E777 PolarHBondContact NH2-OE2 3.43Å; R216-E777 VanDerWaalsContact NH2-OE2 3.09Å; R216-Y798 PolarHBondContact NH2-OH 2.76Å
217	Y	94.1	Very high	81.6	Confident	17 Å²	17	58.9 Å²	58.9	7%	0.067	27%	0.272	C	S	.	.	H	α-helix	trans	-67.8	-26.6	177.2	-87.7	-65.7	0	0	0	114.3	T213 T214 A215 C802 L805 N806 T809	T213-Y217 HydrophobicContact CG2-CD2 4.1Å; T213-Y217 HydrophobicContact CG2-CE2 4.04Å; T213-Y217 VanDerWaalsContact O-CD2 3.25Å; T213-Y217 WeakPolarHBondContact O-CD2 3.26Å; T213-Y217 PolarHBondContact O-N 2.86Å; T214-Y217 PolarHBondContact O-N 2.78Å; A215-Y217 VanDerWaalsContact C-N 3.34Å; A215-Y217 PolarHBondContact O-N 3.31Å; Y217-C802 HydrophobicContact CE2-CB 4.3Å; Y217-L805 HydrophobicContact CD1-CB 4.29Å; Y217-L805 HydrophobicContact CD2-CB 3.56Å; Y217-L805 HydrophobicContact CD2-CD1 3.63Å; Y217-L805 HydrophobicContact CD2-CG 4.16Å; Y217-L805 HydrophobicContact CE2-CB 3.93Å; Y217-L805 HydrophobicContact CE2-CD1 4.18Å; Y217-L805 HydrophobicContact CG-CB 3.76Å; Y217-L805 HydrophobicContact CG-CD1 4.42Å; Y217-N806 WeakPolarHBondContact CE1-OD1 3.27Å; Y217-N806 PolarHBondContact OH-ND2 2.73Å; Y217-N806 PolarHBondContact OH-OD1 3.37Å; Y217-T809 HydrophobicContact CD1-CG2 4.21Å; Y217-T809 WeakPolarHBondContact O-CG2 3.37Å
218	L	92.4	Very high	79.2	Confident	4 Å²	4	61.5 Å²	61.5	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-83.3	-36.3	173.5	-66.8	172.3	0	0	0	112.4	V193 L196 F197 F210 T214 A215 R216 E220 L221 S222	V193-L218 HydrophobicContact CG1-CD2 3.98Å; L196-L218 HydrophobicContact CB-CD1 3.92Å; L196-L218 HydrophobicContact CB-CD2 4.14Å; L196-L218 HydrophobicContact CD1-CD2 4.5Å; F197-L218 HydrophobicContact CD1-CB 4.4Å; F197-L218 HydrophobicContact CD1-CD1 4.41Å; F197-L218 HydrophobicContact CD1-CD2 4.44Å; F197-L218 HydrophobicContact CD2-CD2 4.42Å; F197-L218 HydrophobicContact CE1-CB 3.74Å; F197-L218 HydrophobicContact CE1-CD2 4.2Å; F197-L218 HydrophobicContact CE1-CG 4.37Å; F197-L218 HydrophobicContact CE2-CD2 4.17Å; F197-L218 HydrophobicContact CZ-CB 4.06Å; F197-L218 HydrophobicContact CZ-CD2 4.05Å; F210-L218 HydrophobicContact CE1-CD1 3.86Å; F210-L218 HydrophobicContact CZ-CD1 3.88Å; T214-L218 HydrophobicContact CG2-CD1 4.16Å; T214-L218 HydrophobicContact CG2-CG 4.46Å; T214-L218 VanDerWaalsContact O-CG 3.25Å; T214-L218 WeakPolarHBondContact O-CG 3.37Å; T214-L218 PolarHBondContact O-N 3.01Å; A215-L218 CarbonylContact O-C 3.55Å; A215-L218 PolarHBondContact O-N 2.78Å; R216-L218 VanDerWaalsContact C-N 3.32Å; R216-L218 PolarHBondContact O-N 3.16Å; L218-E220 VanDerWaalsContact C-N 3.26Å; L218-E220 PolarHBondContact O-N 3.18Å; L218-L221 WeakPolarHBondContact O-CB 3.36Å; L218-L221 PolarHBondContact O-N 2.61Å; L218-L221 VanDerWaalsContact O-N 3.08Å; L218-S222 PolarHBondContact O-N 2.87Å
219	Q	89	Confident	76.7	Confident	73 Å²	73	62.6 Å²	62.6	34%	0.341	29%	0.292	S	S	.	.	H	α-helix	trans	-59.4	-40.9	171.3	-73.3	172	-0.8	0	0	111	A215 R216 L221 S222 D229	A215-Q219 WeakPolarHBondContact O-CG 3.33Å; A215-Q219 PolarHBondContact O-N 2.7Å; R216-Q219 PolarHBondContact O-N 3.47Å; Q219-L221 PolarHBondContact O-N 3.21Å; Q219-L221 VanDerWaalsContact O-N 3.07Å; Q219-S222 WeakPolarHBondContact CA-OG 3.48Å; Q219-S222 PolarHBondContact O-N 2.95Å; Q219-S222 VanDerWaalsContact O-O 3.11Å; Q219-S222 PolarHBondContact O-OG 3.45Å; Q219-S222 VanDerWaalsContact O-OG 3.07Å; Q219-D229 PolarHBondContact NE2-OD2 3.45Å
220	E	86.8	Confident	74.3	Confident	76 Å²	76	63 Å²	63	36%	0.355	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-19.5	173.6	-99.4	-167	-114.6	0	0	114.6	R216 L218 R813	R216-E220 IonicContact NH1-OE1 2.76Å; R216-E220 PolarHBondContact NH1-OE1 3.31Å; R216-E220 WeakPolarHBondContact O-CB 3.28Å; R216-E220 PolarHBondContact O-N 3.25Å; L218-E220 VanDerWaalsContact C-N 3.26Å; L218-E220 PolarHBondContact O-N 3.18Å; E220-R813 VanDerWaalsContact CB-NH2 3.26Å; E220-R813 PolarHBondContact O-NH2 3.03Å; E220-R813 IonicContact OE2-CZ 3.37Å; E220-R813 VanDerWaalsContact OE2-CZ 3.22Å; E220-R813 IonicContact OE2-NH1 2.75Å; E220-R813 PolarHBondContact OE2-NH1 2.99Å; E220-R813 IonicContact OE2-NH2 3.18Å; E220-R813 PolarHBondContact OE2-NH2 3.26Å
221	L	84.8	Confident	71.8	Confident	10 Å²	10	67.8 Å²	67.8	5%	0.052	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-33.5	175.6	-75.9	-177.2	0	0	0	111.7	I63 V193 F197 L218 Q219 T809 I812 R813	I63-L221 HydrophobicContact CD1-CB 3.53Å; I63-L221 HydrophobicContact CD1-CG 4.43Å; I63-L221 WeakPolarHBondContact CD1-O 3.43Å; I63-L221 WeakPolarHBondContact CG1-O 3.43Å; V193-L221 HydrophobicContact CG1-CD1 3.83Å; V193-L221 HydrophobicContact CG2-CD1 4.28Å; F197-L221 HydrophobicContact CZ-CB 4.5Å; L218-L221 WeakPolarHBondContact O-CB 3.36Å; L218-L221 PolarHBondContact O-N 2.61Å; L218-L221 VanDerWaalsContact O-N 3.08Å; Q219-L221 PolarHBondContact O-N 3.21Å; Q219-L221 VanDerWaalsContact O-N 3.07Å; L221-T809 HydrophobicContact CD1-CG2 3.85Å; L221-T809 HydrophobicContact CG-CG2 4.17Å; L221-I812 HydrophobicContact CD1-CD1 4.29Å; L221-I812 HydrophobicContact CD2-CB 4.48Å; L221-I812 HydrophobicContact CD2-CG2 4.35Å; L221-R813 HydrophobicContact CD2-CG 3.87Å
222	S	73.6	Confident	69.6	Low	30 Å²	30	67.5 Å²	67.5	21%	0.21	31%	0.308	C	S	.	.			trans	-85.5	127.7	-176.9	59.3	0	0	0	0	114.5	L218 Q219 R224	L218-S222 PolarHBondContact O-N 2.87Å; Q219-S222 WeakPolarHBondContact CA-OG 3.48Å; Q219-S222 PolarHBondContact O-N 2.95Å; Q219-S222 VanDerWaalsContact O-O 3.11Å; Q219-S222 PolarHBondContact O-OG 3.45Å; Q219-S222 VanDerWaalsContact O-OG 3.07Å; S222-R224 PolarHBondContact O-N 3.16Å; S222-R224 VanDerWaalsContact O-N 3.09Å; S222-R224 PolarHBondContact OG-O 2.95Å
223	E	57	Low	67.3	Low	169 Å²	169	68 Å²	68	79%	0.79	31%	0.314	S	S	*	.	S	Bend	trans	-64.5	-9.9	172	-84	-178.9	-168.2	0	0	115.3	S62	S62-E223 WeakPolarHBondContact CB-OE1 3.46Å; S62-E223 WeakPolarHBondContact OG-CG 3.35Å; S62-E223 PolarHBondContact OG-N 3.2Å
224	R	48.8	Very low	64.8	Low	186 Å²	186	73.7 Å²	73.7	70%	0.702	34%	0.341	S	S	*	.	S	Bend	trans	-123.9	130.4	176.3	-69.8	-179.1	174.7	-164.5	-5.1	109.2	S222 L226	S222-R224 PolarHBondContact O-N 3.16Å; S222-R224 VanDerWaalsContact O-N 3.09Å; S222-R224 PolarHBondContact OG-O 2.95Å; R224-L226 PolarHBondContact O-N 2.62Å
225	P	49.1	Very low	62.6	Low	83 Å²	83	78.5 Å²	78.5	54%	0.539	36%	0.363	S	S	.	.			trans	-56.6	129.6	163.3	26.3	-32.7	0	0	0	108.1	Y227	P225-Y227 PolarHBondContact O-N 3.17Å
226	L	50.2	Low	60.6	Low	61 Å²	61	81.5 Å²	81.5	32%	0.319	38%	0.375	S	S	.	.			trans	-64.1	119.9	169.9	-74.6	167.3	0	0	0	106.7	Q200 R224 L228 D229	Q200-L226 HydrophobicContact CG-CD1 4.37Å; R224-L226 PolarHBondContact O-N 2.62Å; L226-L228 PolarHBondContact O-N 3.37Å; L226-D229 PolarHBondContact O-N 3.42Å
227	Y	43.3	Very low	58.3	Low	174 Å²	174	83.2 Å²	83.2	68%	0.682	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-1.7	-171.2	-101.1	-97.5	0	0	0	114.9	P225 Y231	P225-Y227 PolarHBondContact O-N 3.17Å; Y227-Y231 WeakPolarHBondContact O-CD2 3.38Å; Y227-Y231 WeakPolarHBondContact O-CE2 3.25Å
228	L	47.2	Very low	56	Low	80 Å²	80	84.9 Å²	84.9	42%	0.419	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-37.3	178.5	-85	74.2	0	0	0	113	G204 L226 I230 Y231	G204-L228 VanDerWaalsContact O-CD2 3.26Å; G204-L228 WeakPolarHBondContact O-CD2 3.46Å; L226-L228 PolarHBondContact O-N 3.37Å; L228-I230 PolarHBondContact O-N 3.25Å; L228-I230 VanDerWaalsContact O-N 3.16Å; L228-Y231 PolarHBondContact O-N 2.98Å; L228-Y231 VanDerWaalsContact O-N 3.1Å
229	D	42	Very low	53.9	Low	24 Å²	24	89.5 Å²	89.5	13%	0.128	43%	0.428	C	S	.	.	H	α-helix	trans	-62.8	-29.1	-173.8	-60.6	-28	0	0	0	111.7	Q200 Q219 L226 Y231 E232 E233	Q200-D229 PolarHBondContact NE2-OD2 3.42Å; Q219-D229 PolarHBondContact NE2-OD2 3.45Å; L226-D229 PolarHBondContact O-N 3.42Å; D229-Y231 VanDerWaalsContact C-N 3.3Å; D229-Y231 PolarHBondContact O-N 3.16Å; D229-E232 PolarHBondContact O-N 2.94Å; D229-E233 PolarHBondContact O-N 3.24Å
230	I	40.8	Very low	52	Low	73 Å²	73	88.2 Å²	88.2	37%	0.374	43%	0.425	S	S	.	.	H	α-helix	trans	-62.5	-35.3	178.6	-55.7	174.9	0	0	0	111.8	L228 E234	L228-I230 PolarHBondContact O-N 3.25Å; L228-I230 VanDerWaalsContact O-N 3.16Å; I230-E234 PolarHBondContact O-N 2.99Å
231	Y	44	Very low	50.1	Low	123 Å²	123	89.4 Å²	89.4	48%	0.482	44%	0.438	S	S	.	.	H	α-helix	trans	-88.4	-16.2	-174.6	-62.8	-71.5	0	0	0	114	Y227 L228 D229 R629	Y227-Y231 WeakPolarHBondContact O-CD2 3.38Å; Y227-Y231 WeakPolarHBondContact O-CE2 3.25Å; L228-Y231 PolarHBondContact O-N 2.98Å; L228-Y231 VanDerWaalsContact O-N 3.1Å; D229-Y231 VanDerWaalsContact C-N 3.3Å; D229-Y231 PolarHBondContact O-N 3.16Å; Y231-R629 PolarHBondContact O-NH2 3.23Å
232	E	47.6	Very low	48.3	Very low	64 Å²	64	97.4 Å²	97.4	30%	0.299	48%	0.475	S	S	.	.	H	α-helix	trans	-78.1	-40.1	167	-69.7	-172	169.8	0	0	110.1	D229 E234 E235 E236	D229-E232 PolarHBondContact O-N 2.94Å; E232-E234 PolarHBondContact O-N 2.84Å; E232-E235 PolarHBondContact O-N 3.23Å; E232-E236 WeakPolarHBondContact O-CB 3.43Å; E232-E236 PolarHBondContact O-N 2.96Å
233	E	44.3	Very low	47.2	Very low	98 Å²	98	97.5 Å²	97.5	46%	0.458	47%	0.474	S	S	.	.	H	α-helix	trans	-63.7	-37.2	175	-67	-161.9	139.4	0	0	112.8	R212 D229 L237	R212-E233 IonicContact CZ-OE1 2.78Å; R212-E233 IonicContact NE-OE1 2.79Å; R212-E233 IonicContact NH2-OE1 3.92Å; R212-E233 PolarHBondContact NH2-OE1 3.25Å; D229-E233 PolarHBondContact O-N 3.24Å; E233-L237 VanDerWaalsContact O-CB 3.29Å; E233-L237 WeakPolarHBondContact O-CB 3.36Å; E233-L237 VanDerWaalsContact O-CD1 3.29Å; E233-L237 WeakPolarHBondContact O-CD1 3.15Å; E233-L237 PolarHBondContact O-N 2.95Å
234	E	42.5	Very low	47.1	Very low	123 Å²	123	93.8 Å²	93.8	58%	0.575	47%	0.467	S	S	*	.	H	α-helix	trans	-69	-38.7	176.1	-76	-175.6	166.4	0	0	113.3	I230 E232 A238	I230-E234 PolarHBondContact O-N 2.99Å; E232-E234 PolarHBondContact O-N 2.84Å; E234-A238 WeakPolarHBondContact O-CB 3.48Å; E234-A238 PolarHBondContact O-N 2.9Å
235	E	50.5	Low	47.7	Very low	100 Å²	100	85.5 Å²	85.5	47%	0.467	44%	0.437	S	S	.	.	H	α-helix	trans	-74.5	-39.3	176.4	-105.4	167.1	-145.9	0	0	112.3	E232 A238 E239 R629	E232-E235 PolarHBondContact O-N 3.23Å; E235-A238 PolarHBondContact O-N 2.94Å; E235-E239 PolarHBondContact O-N 3.35Å; E235-R629 IonicContact OE1-CZ 3.57Å; E235-R629 IonicContact OE1-NE 3.76Å; E235-R629 PolarHBondContact OE1-NE 3.5Å; E235-R629 IonicContact OE1-NH2 2.84Å; E235-R629 PolarHBondContact OE1-NH2 2.66Å; E235-R629 IonicContact OE2-CZ 2.79Å; E235-R629 VanDerWaalsContact OE2-CZ 3.26Å; E235-R629 IonicContact OE2-NE 3.6Å; E235-R629 PolarHBondContact OE2-NE 3.05Å; E235-R629 IonicContact OE2-NH2 3.4Å; E235-R629 PolarHBondContact OE2-NH2 2.96Å
236	E	50.6	Low	48.6	Very low	71 Å²	71	86 Å²	86	33%	0.332	44%	0.439	S	S	.	.	H	α-helix	trans	-64.5	-38.3	170.1	-78.6	-161.9	145.7	0	0	111.6	R212 E232 A238 T240	R212-E236 IonicContact CZ-OE2 3.55Å; R212-E236 IonicContact NH1-OE2 3.55Å; R212-E236 PolarHBondContact NH1-OE2 2.99Å; E232-E236 WeakPolarHBondContact O-CB 3.43Å; E232-E236 PolarHBondContact O-N 2.96Å; E236-A238 VanDerWaalsContact C-N 3.33Å; E236-T240 VanDerWaalsContact O-CB 3.25Å; E236-T240 WeakPolarHBondContact O-CB 3.41Å; E236-T240 WeakPolarHBondContact O-CG2 3.44Å; E236-T240 PolarHBondContact O-N 3.04Å; E236-T240 PolarHBondContact O-OG1 3.45Å
237	L	46.8	Very low	49.2	Very low	109 Å²	109	85.3 Å²	85.3	57%	0.571	44%	0.442	S	S	*	.	H	α-helix	trans	-63.9	-38.8	172.9	-105.5	79.1	0	0	0	111.8	E233 T240 T241	E233-L237 VanDerWaalsContact O-CB 3.29Å; E233-L237 WeakPolarHBondContact O-CB 3.36Å; E233-L237 VanDerWaalsContact O-CD1 3.29Å; E233-L237 WeakPolarHBondContact O-CD1 3.15Å; E233-L237 PolarHBondContact O-N 2.95Å; L237-T240 WeakPolarHBondContact CA-OG1 3.36Å; L237-T240 PolarHBondContact O-OG1 3.41Å; L237-T241 VanDerWaalsContact O-CB 3.31Å; L237-T241 WeakPolarHBondContact O-CB 3.34Å; L237-T241 VanDerWaalsContact O-CG2 3.26Å; L237-T241 WeakPolarHBondContact O-CG2 3.3Å; L237-T241 PolarHBondContact O-N 2.81Å; L237-T241 PolarHBondContact O-OG1 2.94Å
238	A	44	Very low	50.3	Low	51 Å²	51	84 Å²	84	42%	0.421	45%	0.447	S	S	.	.	H	α-helix	trans	-65.4	-50	176.1	0	0	0	0	0	111.4	E234 E235 E236 T241 E242	E234-A238 WeakPolarHBondContact O-CB 3.48Å; E234-A238 PolarHBondContact O-N 2.9Å; E235-A238 PolarHBondContact O-N 2.94Å; E236-A238 VanDerWaalsContact C-N 3.33Å; A238-T241 PolarHBondContact O-N 3.26Å; A238-T241 PolarHBondContact O-OG1 2.79Å; A238-E242 PolarHBondContact O-N 3.4Å
239	E	48.2	Very low	51.3	Low	102 Å²	102	81.2 Å²	81.2	48%	0.477	44%	0.435	S	S	.	.	H	α-helix	trans	-64.5	-41.8	177.2	-81	-151.9	140.2	0	0	112.3	E235 T243 H763	E235-E239 PolarHBondContact O-N 3.35Å; E239-T243 WeakPolarHBondContact O-CB 3.48Å; E239-T243 PolarHBondContact O-N 2.84Å; E239-T243 PolarHBondContact O-OG1 3.25Å; E239-H763 WeakPolarHBondContact OE2-CB 3.47Å; E239-H763 IonicContact OE2-CG 3.3Å
240	T	50.1	Low	52.8	Low	45 Å²	45	84.7 Å²	84.7	28%	0.276	46%	0.458	S	S	.	.	H	α-helix	trans	-67.8	-37.1	178.9	53.5	0	0	0	0	112.4	E236 L237 S244 I775	E236-T240 VanDerWaalsContact O-CB 3.25Å; E236-T240 WeakPolarHBondContact O-CB 3.41Å; E236-T240 WeakPolarHBondContact O-CG2 3.44Å; E236-T240 PolarHBondContact O-N 3.04Å; E236-T240 PolarHBondContact O-OG1 3.45Å; L237-T240 WeakPolarHBondContact CA-OG1 3.36Å; L237-T240 PolarHBondContact O-OG1 3.41Å; T240-S244 WeakPolarHBondContact O-CA 3.25Å; T240-S244 VanDerWaalsContact O-CB 3.25Å; T240-S244 WeakPolarHBondContact O-CB 3.48Å; T240-S244 PolarHBondContact O-N 2.94Å; T240-I775 HydrophobicContact CG2-CD1 3.95Å
241	T	47.1	Very low	54.2	Low	102 Å²	102	82.1 Å²	82.1	63%	0.626	45%	0.445	S	S	*	.	H	α-helix	trans	-72.3	-38.8	176.4	53.6	0	0	0	0	112.5	L237 A238	L237-T241 VanDerWaalsContact O-CB 3.31Å; L237-T241 WeakPolarHBondContact O-CB 3.34Å; L237-T241 VanDerWaalsContact O-CG2 3.26Å; L237-T241 WeakPolarHBondContact O-CG2 3.3Å; L237-T241 PolarHBondContact O-N 2.81Å; L237-T241 PolarHBondContact O-OG1 2.94Å; A238-T241 PolarHBondContact O-N 3.26Å; A238-T241 PolarHBondContact O-OG1 2.79Å
242	E	46	Very low	55.7	Low	177 Å²	177	80 Å²	80	83%	0.827	44%	0.439	S	S	*	.	H	α-helix	trans	-77.9	-24.3	176.3	-69.1	-161.8	162.2	0	0	114.3	A238	A238-E242 PolarHBondContact O-N 3.4Å
243	T	51.4	Low	57	Low	32 Å²	32	78.5 Å²	78.5	20%	0.196	44%	0.435	C	S	.	.	H	α-helix	trans	-119.2	11.4	-175	70.8	0	0	0	0	115.9	E239 V245 H763 K764	E239-T243 WeakPolarHBondContact O-CB 3.48Å; E239-T243 PolarHBondContact O-N 2.84Å; E239-T243 PolarHBondContact O-OG1 3.25Å; T243-V245 PolarHBondContact O-N 3.04Å; T243-H763 PolarHBondContact OG1-ND1 3.35Å; T243-K764 HydrophobicContact CG2-CD 4.16Å
244	S	54.4	Low	58.3	Low	92 Å²	92	78.1 Å²	78.1	64%	0.643	44%	0.441	S	S	*	.			trans	-46.3	107.9	-179.6	51	0	0	0	0	113.5	T240	T240-S244 WeakPolarHBondContact O-CA 3.25Å; T240-S244 VanDerWaalsContact O-CB 3.25Å; T240-S244 WeakPolarHBondContact O-CB 3.48Å; T240-S244 PolarHBondContact O-N 2.94Å
245	V	61.4	Low	59.7	Low	12 Å²	12	76.7 Å²	76.7	7%	0.073	44%	0.441	C	S	.	.			trans	-80	129.2	174.6	177.9	0	0	0	0	107.6	T243 A249 Y768 P772	T243-V245 PolarHBondContact O-N 3.04Å; V245-A249 HydrophobicContact CG1-CB 3.53Å; V245-Y768 HydrophobicContact CB-CE1 4.46Å; V245-Y768 HydrophobicContact CG1-CD1 3.6Å; V245-Y768 HydrophobicContact CG1-CE1 3.54Å; V245-Y768 HydrophobicContact CG1-CG 4.22Å; V245-Y768 HydrophobicContact CG2-CD1 4.21Å; V245-Y768 HydrophobicContact CG2-CD2 3.88Å; V245-Y768 HydrophobicContact CG2-CE1 4.05Å; V245-Y768 HydrophobicContact CG2-CE2 3.67Å; V245-Y768 HydrophobicContact CG2-CG 4.15Å; V245-P772 WeakPolarHBondContact O-CB 3.39Å
246	T	69	Low	60.8	Low	94 Å²	94	75.6 Å²	75.6	58%	0.577	45%	0.445	S	S	*	.			trans	-71.9	152.1	175.9	57.4	0	0	0	0	111.1	D248 A249	T246-D248 PolarHBondContact O-N 3.35Å; T246-D248 VanDerWaalsContact O-N 3.13Å; T246-A249 WeakPolarHBondContact O-CB 3.48Å; T246-A249 PolarHBondContact O-N 3.03Å
247	A	62.8	Low	61.7	Low	46 Å²	46	80.3 Å²	80.3	38%	0.38	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-33.1	178.9	0	0	0	0	0	113	R786	A247-R786 PolarHBondContact O-NH2 2.82Å
248	D	65.9	Low	63.1	Low	146 Å²	146	79.2 Å²	79.2	78%	0.781	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-5.4	179	-53.1	-41.8	0	0	0	114.1	T246	T246-D248 PolarHBondContact O-N 3.35Å; T246-D248 VanDerWaalsContact O-N 3.13Å
249	A	67.6	Low	65	Low	21 Å²	21	79.1 Å²	79.1	17%	0.174	46%	0.461	C	S	.	.	S	Bend	trans	-65.9	143.3	-179.3	0	0	0	0	0	111.5	V245 T246 Y768 R786	V245-A249 HydrophobicContact CG1-CB 3.53Å; T246-A249 WeakPolarHBondContact O-CB 3.48Å; T246-A249 PolarHBondContact O-N 3.03Å; A249-Y768 HydrophobicContact CB-CE1 4Å; A249-R786 PolarHBondContact O-NH1 2.9Å; A249-R786 PolarHBondContact O-NH2 2.88Å
250	T	74	Confident	66.7	Low	98 Å²	98	75.8 Å²	75.8	60%	0.601	45%	0.448	S	S	*	.			trans	-52.6	146.8	179.4	50.2	0	0	0	0	112.5	H252 Y768	T250-H252 PolarHBondContact O-N 3.15Å; T250-H252 PolarHBondContact OG1-O 3.41Å; T250-H252 VanDerWaalsContact OG1-O 3.08Å; T250-Y768 WeakPolarHBondContact O-CD1 3.48Å
251	V	69.9	Low	68.4	Low	18 Å²	18	73.7 Å²	73.7	11%	0.109	44%	0.435	C	S	.	.	S	Bend	trans	-71.6	2.2	175.8	-172.7	0	0	0	0	112.7	R786	V251-R786 HydrophobicContact CG2-CG 4.07Å
252	H	75.9	Confident	69.8	Low	79 Å²	79	74.2 Å²	74.2	37%	0.366	43%	0.43	S	S	.	.	S	Bend	trans	-106.9	118	174.5	-59.7	-46.5	0	0	0	109	T250 R367 Y488	T250-H252 PolarHBondContact O-N 3.15Å; T250-H252 PolarHBondContact OG1-O 3.41Å; T250-H252 VanDerWaalsContact OG1-O 3.08Å; H252-R367 PolarHBondContact ND1-NH2 3.33Å; H252-R367 VanDerWaalsContact ND1-NH2 3.2Å; H252-Y488 AromaticContact CE1-CE1 3.95Å
253	P	75.4	Confident	70.8	Confident	33 Å²	33	71 Å²	71	21%	0.214	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-63.8	149.4	172.4	27	-33.8	0	0	0	110.2	Y768	P253-Y768 HydrophobicContact CB-CD2 3.56Å; P253-Y768 HydrophobicContact CB-CE2 3.98Å; P253-Y768 HydrophobicContact CB-CG 4.03Å
254	P	71.5	Confident	71.6	Confident	89 Å²	89	73.6 Å²	73.6	58%	0.578	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-64.6	136.2	174.4	27.6	-34.1	0	0	0	110.6	Y768	P254-Y768 WeakPolarHBondContact CD-OH 3.41Å
255	T	70.8	Confident	72.6	Confident	94 Å²	94	73.9 Å²	73.9	58%	0.577	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-88.7	140.9	175.2	50.2	0	0	0	0	110.7
256	S	73.7	Confident	73.2	Confident	77 Å²	77	76.5 Å²	76.5	54%	0.538	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-65.1	138.2	168.9	-177.5	0	0	0	0	110.9	T258	S256-T258 VanDerWaalsContact C-N 3.34Å; S256-T258 WeakPolarHBondContact CB-O 3.21Å; S256-T258 PolarHBondContact OG-N 3.02Å; S256-T258 PolarHBondContact OG-O 3.05Å; S256-T258 PolarHBondContact OG-OG1 3.08Å
257	D	70	Confident	73.4	Confident	170 Å²	170	76.3 Å²	76.3	91%	0.909	45%	0.448	S	S	*	.	S	Bend	trans	-75.6	-23.6	172.5	-68.2	-42	0	0	0	112.5
258	T	76.7	Confident	74.1	Confident	86 Å²	86	77.8 Å²	77.8	53%	0.528	46%	0.456	S	S	.	.	S	Bend	trans	-98.9	143.7	176	54.2	0	0	0	0	111.2	S256	S256-T258 VanDerWaalsContact C-N 3.34Å; S256-T258 WeakPolarHBondContact CB-O 3.21Å; S256-T258 PolarHBondContact OG-N 3.02Å; S256-T258 PolarHBondContact OG-O 3.05Å; S256-T258 PolarHBondContact OG-OG1 3.08Å
259	H	82.9	Confident	75	Confident	48 Å²	48	72 Å²	72	22%	0.222	42%	0.424	C	S	.	.			trans	-83.2	133.6	-178.1	-174.1	-85.7	0	0	0	110.6	Y261 E262 Q516 Y518	H259-Y261 AromaticContact CE1-CD2 3.64Å; H259-Y261 AromaticContact CE1-CG 3.97Å; H259-Y261 PolarHBondContact ND1-N 3.38Å; H259-Y261 PolarHBondContact O-N 2.88Å; H259-E262 HydrophobicContact CB-CG 3.96Å; H259-E262 PolarHBondContact N-OE2 3.46Å; H259-E262 WeakPolarHBondContact O-CB 3.44Å; H259-E262 WeakPolarHBondContact O-CG 3.41Å; H259-E262 PolarHBondContact O-N 3.22Å; H259-Q516 PolarHBondContact CE1-OE1 3.01Å; H259-Q516 PolarHBondContact ND1-OE1 3.46Å; H259-Y518 AromaticContact NE2-CD1 3.83Å
260	P	83.9	Confident	75.9	Confident	33 Å²	33	73.1 Å²	73.1	21%	0.214	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.1	-170.2	-28.3	35.8	0	0	0	116	Y518 H574	P260-Y518 HydrophobicContact CG-CD1 3.96Å; P260-Y518 HydrophobicContact CG-CD2 4.13Å; P260-Y518 HydrophobicContact CG-CE1 3.64Å; P260-Y518 HydrophobicContact CG-CE2 3.82Å; P260-Y518 HydrophobicContact CG-CG 4.18Å; P260-H574 VanDerWaalsContact CB-NE2 3.26Å; P260-H574 WeakPolarHBondContact CB-NE2 3.49Å
261	Y	86.4	Confident	76.6	Confident	1 Å²	1	73.7 Å²	73.7	0%	0.004	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	12.4	-178.8	-55	-25.4	0	0	0	114.5	H259 Q264 A512 V513 V517 L570 H574	H259-Y261 AromaticContact CE1-CD2 3.64Å; H259-Y261 AromaticContact CE1-CG 3.97Å; H259-Y261 PolarHBondContact ND1-N 3.38Å; H259-Y261 PolarHBondContact O-N 2.88Å; Y261-Q264 PolarHBondContact O-NE2 3.06Å; Y261-A512 HydrophobicContact CE2-CB 4.43Å; Y261-A512 WeakPolarHBondContact CE2-O 3.4Å; Y261-V513 HydrophobicContact CD1-CG2 4.14Å; Y261-V513 HydrophobicContact CD2-CG2 4.27Å; Y261-V513 HydrophobicContact CG-CG2 4Å; Y261-V517 PolarHBondContact OH-O 3.47Å; Y261-L570 HydrophobicContact CD1-CB 4.23Å; Y261-H574 AromaticContact CE1-CD2 3.73Å
262	E	75.3	Confident	77.6	Confident	112 Å²	112	75.8 Å²	75.8	52%	0.523	45%	0.45	S	S	.	.	S	Bend	trans	-78.3	-34.7	178.3	-73.6	170.7	163.9	0	0	113	H259 Q264	H259-E262 HydrophobicContact CB-CG 3.96Å; H259-E262 PolarHBondContact N-OE2 3.46Å; H259-E262 WeakPolarHBondContact O-CB 3.44Å; H259-E262 WeakPolarHBondContact O-CG 3.41Å; H259-E262 PolarHBondContact O-N 3.22Å; E262-Q264 PolarHBondContact O-N 3.46Å; E262-Q264 VanDerWaalsContact O-N 3.13Å
263	N	68.4	Low	78.3	Confident	111 Å²	111	75 Å²	75	59%	0.594	45%	0.45	S	S	*	.			trans	-89.2	75.2	-174.6	-68.3	-31.7	0	0	0	112.5
264	Q	68.4	Low	78.9	Confident	85 Å²	85	74.8 Å²	74.8	40%	0.397	46%	0.455	S	S	.	.			trans	-90.3	-3.6	-180	-70.5	169.7	42.7	0	0	114.8	Y261 E262 P266 V513 L570	Y261-Q264 PolarHBondContact O-NE2 3.06Å; E262-Q264 PolarHBondContact O-N 3.46Å; E262-Q264 VanDerWaalsContact O-N 3.13Å; Q264-P266 VanDerWaalsContact O-CD 3.24Å; Q264-P266 WeakPolarHBondContact O-CD 3.33Å; Q264-V513 HydrophobicContact CG-CG1 4.36Å; Q264-V513 VanDerWaalsContact NE2-CG1 3.3Å; Q264-L570 HydrophobicContact CG-CD1 3.73Å
265	D	74.2	Confident	79.9	Confident	98 Å²	98	73.7 Å²	73.7	52%	0.524	44%	0.439	S	S	.	.			trans	-68.2	116.5	-177.6	-174.9	-4.7	0	0	0	111.1	A267 S268	D265-A267 PolarHBondContact O-N 3.06Å; D265-A267 VanDerWaalsContact O-N 3.11Å; D265-A267 WeakPolarHBondContact OD1-CB 3.4Å; D265-A267 PolarHBondContact OD1-N 2.94Å; D265-S268 WeakPolarHBondContact O-CB 3.35Å; D265-S268 PolarHBondContact O-N 3.2Å; D265-S268 PolarHBondContact O-OG 2.93Å
266	P	74.3	Confident	80.9	Confident	68 Å²	68	69.7 Å²	69.7	44%	0.442	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-58.5	-24.1	177.2	-24.4	36.2	0	0	0	113.7	Q264 S268 M269	Q264-P266 VanDerWaalsContact O-CD 3.24Å; Q264-P266 WeakPolarHBondContact O-CD 3.33Å; P266-S268 PolarHBondContact O-N 3.33Å; P266-M269 PolarHBondContact O-N 2.84Å
267	A	72.6	Confident	81.8	Confident	89 Å²	89	67.2 Å²	67.2	74%	0.736	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-70.6	-14.1	175.5	0	0	0	0	0	113.6	D265	D265-A267 PolarHBondContact O-N 3.06Å; D265-A267 VanDerWaalsContact O-N 3.11Å; D265-A267 WeakPolarHBondContact OD1-CB 3.4Å; D265-A267 PolarHBondContact OD1-N 2.94Å
268	S	78.9	Confident	83	Confident	78 Å²	78	64.9 Å²	64.9	55%	0.545	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-92.9	-7.9	173.4	71.6	0	0	0	0	113.8	D265 P266	D265-S268 WeakPolarHBondContact O-CB 3.35Å; D265-S268 PolarHBondContact O-N 3.2Å; D265-S268 PolarHBondContact O-OG 2.93Å; P266-S268 PolarHBondContact O-N 3.33Å
269	M	85	Confident	83.9	Confident	24 Å²	24	61 Å²	61	12%	0.118	36%	0.357	C	S	.	.	S	Bend	trans	-90.6	163.9	-177.4	-57.5	-172.1	178	0	0	111.9	P266 P562 P566 H569 L570	P266-M269 PolarHBondContact O-N 2.84Å; M269-P562 HydrophobicContact CB-CB 3.97Å; M269-P562 HydrophobicContact SD-CB 4.13Å; M269-P566 HydrophobicContact CE-CB 3.52Å; M269-P566 HydrophobicContact SD-CB 3.89Å; M269-H569 HydrophobicContact SD-CB 4.45Å; M269-L570 HydrophobicContact CE-CD1 4.47Å; M269-L570 HydrophobicContact CE-CG 4.27Å
270	A	85.8	Confident	84.4	Confident	45 Å²	45	61 Å²	61	37%	0.372	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-60.5	142.2	174.4	0	0	0	0	0	111.1	P562 F633	A270-P562 HydrophobicContact CB-CG 4.31Å; A270-F633 HydrophobicContact CB-CE1 4.44Å; A270-F633 HydrophobicContact CB-CZ 4.14Å
271	P	87.6	Confident	84.9	Confident	110 Å²	110	63.5 Å²	63.5	71%	0.714	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-71	157.4	-174.4	29.9	-36.1	0	0	0	112.6	V273	P271-V273 PolarHBondContact O-N 2.93Å
272	D	91.5	Very high	85.4	Confident	62 Å²	62	63.4 Å²	63.4	33%	0.332	37%	0.371	S	S	.	.			trans	-57.5	115.6	171.3	178.9	10.6	0	0	0	111.7	G274 R290 N561	D272-G274 PolarHBondContact O-N 2.99Å; D272-G274 PolarHBondContact OD1-N 3.19Å; D272-R290 IonicContact OD1-CZ 3.75Å; D272-R290 IonicContact OD1-NH1 3.89Å; D272-R290 IonicContact OD1-NH2 3.87Å; D272-R290 PolarHBondContact OD1-NH2 2.99Å; D272-R290 IonicContact OD2-CZ 2.91Å; D272-R290 IonicContact OD2-NH1 3.34Å; D272-R290 PolarHBondContact OD2-NH1 2.66Å; D272-R290 IonicContact OD2-NH2 3.15Å; D272-R290 PolarHBondContact OD2-NH2 2.76Å; D272-N561 HydrophobicContact CB-CB 4.11Å
273	V	90.4	Very high	86.4	Confident	61 Å²	61	58.4 Å²	58.4	37%	0.37	35%	0.348	S	S	.	.			trans	-76.4	-6.1	179	-55.5	0	0	0	0	113.2	P271 Y275 I560	P271-V273 PolarHBondContact O-N 2.93Å; V273-Y275 VanDerWaalsContact C-N 3.32Å; V273-Y275 HydrophobicContact CB-CD2 4.4Å; V273-Y275 HydrophobicContact CB-CE2 4.32Å; V273-Y275 HydrophobicContact CG2-CD2 3.41Å; V273-Y275 VanDerWaalsContact CG2-CD2 3.41Å; V273-Y275 HydrophobicContact CG2-CE2 3.72Å; V273-Y275 HydrophobicContact CG2-CG 3.85Å; V273-Y275 PolarHBondContact O-N 3.24Å; V273-I560 HydrophobicContact CG2-CB 4.28Å; V273-I560 HydrophobicContact CG2-CG1 4.5Å; V273-I560 HydrophobicContact CG2-CG2 3.84Å; V273-I560 PolarHBondContact N-O 3.09Å
274	G	88.9	Confident	87.8	Confident	30 Å²	30	53.1 Å²	53.1	31%	0.309	32%	0.32	S	S	.	.			trans	79.4	4.8	170.7	0	0	0	0	0	116	D272	D272-G274 PolarHBondContact O-N 2.99Å; D272-G274 PolarHBondContact OD1-N 3.19Å
275	Y	92.6	Very high	89.1	Confident	66 Å²	66	50.1 Å²	50.1	26%	0.259	31%	0.306	S	S	.	.			trans	-70.1	154.4	178.2	-59.8	-26.2	0	0	0	113.1	V273 V286 Y287 L299 L627	V273-Y275 VanDerWaalsContact C-N 3.32Å; V273-Y275 HydrophobicContact CB-CD2 4.4Å; V273-Y275 HydrophobicContact CB-CE2 4.32Å; V273-Y275 HydrophobicContact CG2-CD2 3.41Å; V273-Y275 VanDerWaalsContact CG2-CD2 3.41Å; V273-Y275 HydrophobicContact CG2-CE2 3.72Å; V273-Y275 HydrophobicContact CG2-CG 3.85Å; V273-Y275 PolarHBondContact O-N 3.24Å; Y275-V286 HydrophobicContact CD2-CG1 4.22Å; Y275-V286 HydrophobicContact CG-CG1 4.33Å; Y275-Y287 VanDerWaalsContact CA-O 3.31Å; Y275-Y287 WeakPolarHBondContact CA-O 3.2Å; Y275-Y287 WeakPolarHBondContact CB-O 3.48Å; Y275-L299 HydrophobicContact CD1-CD1 4.23Å; Y275-L299 HydrophobicContact CD2-CD1 3.61Å; Y275-L299 HydrophobicContact CE1-CD1 4.18Å; Y275-L299 HydrophobicContact CE2-CD1 3.55Å; Y275-L299 HydrophobicContact CG-CD1 3.97Å; Y275-L627 HydrophobicContact CD2-CD1 4.08Å; Y275-L627 HydrophobicContact CE2-CD1 4.23Å
276	G	91.5	Very high	90	Very high	9 Å²	9	45.6 Å²	45.6	9%	0.093	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	153.9	166.2	0	0	0	0	0	110.7	V286 Y287	G276-V286 CarbonylContact O-C 3.24Å; G276-V286 WeakPolarHBondContact O-CA 3.31Å; G276-V286 WeakPolarHBondContact O-CG1 3.12Å; G276-Y287 PolarHBondContact N-O 3.32Å; G276-Y287 PolarHBondContact O-N 3.1Å
277	C	93.4	Very high	90.9	Very high	26 Å²	26	43.7 Å²	43.7	18%	0.176	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	148.5	174.7	67.8	0	0	0	0	112.2	M284 H285 V286 F556 I560	C277-M284 HydrophobicContact CB-CE 3.67Å; C277-M284 VanDerWaalsContact SG-CE 3.58Å; C277-H285 CarbonylContact C-O 3.4Å; C277-H285 VanDerWaalsContact CA-O 3.28Å; C277-H285 WeakPolarHBondContact CA-O 3.27Å; C277-V286 HydrophobicContact CB-CG2 4.44Å; C277-F556 HydrophobicContact CB-CB 4.44Å; C277-I560 HydrophobicContact CB-CD1 4.1Å
278	K	94.1	Very high	91.7	Very high	120 Å²	120	42.3 Å²	42.3	52%	0.522	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	138.8	-179.5	-175	-173	172.3	-170.8	0	110.7	V280 H285 Y287	K278-V280 HydrophobicContact CD-CG2 4.44Å; K278-H285 PolarHBondContact N-O 2.96Å; K278-H285 PolarHBondContact O-N 3.4Å; K278-Y287 HydrophobicContact CB-CE2 4.34Å
279	M	95.5	Very high	91.9	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.03	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	131.8	169.3	-163.6	163.2	-77.4	0	0	111.1	V283 M284 Q545 L548 E549 F552	M279-V283 CarbonylContact C-O 3.56Å; M279-V283 WeakPolarHBondContact CA-O 3.37Å; M279-M284 HydrophobicContact CB-SD 3.73Å; M279-M284 HydrophobicContact CE-CG 3.65Å; M279-M284 HydrophobicContact CE-SD 3.76Å; M279-M284 HydrophobicContact CG-SD 4.4Å; M279-Q545 HydrophobicContact CB-CG 4.38Å; M279-Q545 HydrophobicContact CG-CG 3.77Å; M279-Q545 HydrophobicContact SD-CG 3.47Å; M279-Q545 WeakPolarHBondContact SD-CG 3.28Å; M279-L548 HydrophobicContact CE-CB 3.78Å; M279-L548 HydrophobicContact SD-CB 3.58Å; M279-L548 VanDerWaalsContact SD-CB 3.58Å; M279-E549 HydrophobicContact CB-CG 3.71Å; M279-E549 HydrophobicContact CE-CG 4.25Å; M279-E549 HydrophobicContact CG-CG 4.25Å; M279-E549 HydrophobicContact SD-CG 3.65Å; M279-F552 HydrophobicContact CE-CB 4.4Å
280	V	94.4	Very high	91.6	Very high	47 Å²	47	45.8 Å²	45.8	29%	0.285	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	123	174.6	-173.9	0	0	0	0	107.4	K278 G282 V283	K278-V280 HydrophobicContact CD-CG2 4.44Å; V280-G282 PolarHBondContact O-N 3.35Å; V280-G282 VanDerWaalsContact O-N 3.08Å; V280-V283 PolarHBondContact N-O 3.11Å; V280-V283 PolarHBondContact O-N 3.25Å
281	N	94.1	Very high	90.9	Very high	85 Å²	85	49.6 Å²	49.6	46%	0.455	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	35.9	-179.3	-56.5	-28.6	0	0	0	113.4	L598 P599 Y616	N281-L598 HydrophobicContact CB-CD1 4.14Å; N281-P599 WeakPolarHBondContact O-CD 3.31Å; N281-Y616 WeakPolarHBondContact O-CE1 3.18Å
282	G	95.6	Very high	89.5	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	1.5	-179.4	0	0	0	0	0	117.5	V280 Q545 N620	V280-G282 PolarHBondContact O-N 3.35Å; V280-G282 VanDerWaalsContact O-N 3.08Å; G282-Q545 VanDerWaalsContact N-OE1 3.1Å; G282-N620 PolarHBondContact O-ND2 2.71Å
283	V	97.5	Very high	87.7	Confident	6 Å²	6	52.9 Å²	52.9	4%	0.036	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	140.2	172	-174.6	0	0	0	0	109.8	M279 V280 H285 Y303 Y616 A619 N620 V623	M279-V283 CarbonylContact C-O 3.56Å; M279-V283 WeakPolarHBondContact CA-O 3.37Å; V280-V283 PolarHBondContact N-O 3.11Å; V280-V283 PolarHBondContact O-N 3.25Å; V283-H285 PolarHBondContact O-CD2 2.8Å; V283-Y303 HydrophobicContact CB-CE2 4.35Å; V283-Y303 HydrophobicContact CG1-CD1 4.31Å; V283-Y303 HydrophobicContact CG1-CD2 4.19Å; V283-Y303 HydrophobicContact CG1-CE1 4.03Å; V283-Y303 HydrophobicContact CG1-CE2 3.92Å; V283-Y303 HydrophobicContact CG1-CG 4.39Å; V283-Y303 HydrophobicContact CG2-CE2 4.04Å; V283-Y616 HydrophobicContact CG2-CD1 4.29Å; V283-Y616 HydrophobicContact CG2-CE1 4.4Å; V283-A619 HydrophobicContact CG2-CB 4.09Å; V283-N620 WeakPolarHBondContact CA-OD1 3.44Å; V283-V623 HydrophobicContact CG1-CG2 4.16Å
284	M	96.9	Very high	85.9	Confident	1 Å²	1	59 Å²	59	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	128	174.5	-74.5	-64.9	-67.3	0	0	110.8	C277 M279 F552 R553 F556 N620 V623	C277-M284 HydrophobicContact CB-CE 3.67Å; C277-M284 VanDerWaalsContact SG-CE 3.58Å; M279-M284 HydrophobicContact CB-SD 3.73Å; M279-M284 HydrophobicContact CE-CG 3.65Å; M279-M284 HydrophobicContact CE-SD 3.76Å; M279-M284 HydrophobicContact CG-SD 4.4Å; M284-F552 HydrophobicContact CG-CB 4.3Å; M284-R553 HydrophobicContact CE-CG 4.45Å; M284-F556 HydrophobicContact CB-CD1 4.49Å; M284-F556 HydrophobicContact CB-CD2 4.03Å; M284-F556 HydrophobicContact CB-CE1 4.04Å; M284-F556 HydrophobicContact CB-CE2 3.52Å; M284-F556 HydrophobicContact CB-CG 4.5Å; M284-F556 HydrophobicContact CB-CZ 3.52Å; M284-F556 HydrophobicContact CE-CB 3.97Å; M284-F556 HydrophobicContact CE-CD1 4.42Å; M284-F556 HydrophobicContact CE-CD2 3.92Å; M284-F556 HydrophobicContact CE-CG 3.84Å; M284-F556 HydrophobicContact CG-CD2 3.74Å; M284-F556 HydrophobicContact CG-CE2 3.54Å; M284-F556 HydrophobicContact CG-CG 4.46Å; M284-F556 HydrophobicContact CG-CZ 4.11Å; M284-N620 WeakPolarHBondContact CG-OD1 3.28Å; M284-N620 PolarHBondContact N-OD1 3Å; M284-V623 WeakPolarHBondContact O-CG1 3.39Å
285	H	95.4	Very high	84.5	Confident	22 Å²	22	67 Å²	67	10%	0.102	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	142.8	171.1	-62.9	-100.1	0	0	0	109.3	C277 K278 V283 Y287 E298 Y303	C277-H285 CarbonylContact C-O 3.4Å; C277-H285 VanDerWaalsContact CA-O 3.28Å; C277-H285 WeakPolarHBondContact CA-O 3.27Å; K278-H285 PolarHBondContact N-O 2.96Å; K278-H285 PolarHBondContact O-N 3.4Å; V283-H285 PolarHBondContact O-CD2 2.8Å; H285-Y287 HydrophobicContact CB-CE2 3.92Å; H285-Y287 WeakPolarHBondContact CB-OH 3.43Å; H285-E298 HydrophobicContact CB-CG 4.46Å; H285-E298 IonicContact CE1-OE1 2.77Å; H285-E298 IonicContact CG-OE1 3.55Å; H285-E298 IonicContact ND1-OE1 2.79Å; H285-E298 PolarHBondContact ND1-OE1 3.11Å; H285-E298 IonicContact ND1-OE2 2.78Å; H285-Y303 PolarHBondContact CE1-OH 3.12Å
286	V	94.6	Very high	83.4	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.012	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	138.4	-175.9	-165.4	0	0	0	0	109.4	Y275 G276 C277 E298 L299 L301 F556 I560 L627	Y275-V286 HydrophobicContact CD2-CG1 4.22Å; Y275-V286 HydrophobicContact CG-CG1 4.33Å; G276-V286 CarbonylContact O-C 3.24Å; G276-V286 WeakPolarHBondContact O-CA 3.31Å; G276-V286 WeakPolarHBondContact O-CG1 3.12Å; C277-V286 HydrophobicContact CB-CG2 4.44Å; V286-E298 WeakPolarHBondContact O-CA 3.32Å; V286-L299 HydrophobicContact CB-CD1 4.1Å; V286-L299 HydrophobicContact CG1-CD1 3.72Å; V286-L299 PolarHBondContact O-N 2.95Å; V286-L301 HydrophobicContact CB-CD1 3.94Å; V286-L301 HydrophobicContact CG2-CD1 3.65Å; V286-F556 HydrophobicContact CG2-CD1 3.81Å; V286-F556 HydrophobicContact CG2-CE1 3.7Å; V286-I560 HydrophobicContact CG1-CD1 4.26Å; V286-L627 HydrophobicContact CG2-CD2 4.33Å
287	Y	93.3	Very high	83.1	Confident	28 Å²	28	68.9 Å²	68.9	11%	0.11	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.5	-171.2	-61	-79.1	0	0	0	111.1	Y275 G276 K278 H285 S289 T297 E298	Y275-Y287 VanDerWaalsContact CA-O 3.31Å; Y275-Y287 WeakPolarHBondContact CA-O 3.2Å; Y275-Y287 WeakPolarHBondContact CB-O 3.48Å; G276-Y287 PolarHBondContact N-O 3.32Å; G276-Y287 PolarHBondContact O-N 3.1Å; K278-Y287 HydrophobicContact CB-CE2 4.34Å; H285-Y287 HydrophobicContact CB-CE2 3.92Å; H285-Y287 WeakPolarHBondContact CB-OH 3.43Å; Y287-S289 PolarHBondContact O-N 3.34Å; Y287-T297 WeakPolarHBondContact CA-O 3.37Å; Y287-E298 HydrophobicContact CD1-CB 3.95Å; Y287-E298 HydrophobicContact CD1-CG 4.06Å; Y287-E298 HydrophobicContact CE1-CB 3.73Å; Y287-E298 HydrophobicContact CE1-CG 3.61Å; Y287-E298 WeakPolarHBondContact CE1-OE2 3.39Å; Y287-E298 PolarHBondContact OH-OE2 3.11Å
288	T	89	Confident	82.9	Confident	60 Å²	60	72.4 Å²	72.4	37%	0.368	36%	0.363	S	S	.	.	S	Bend	trans	-65.5	-5	-179	53	0	0	0	0	115.1	T297 L299	T288-T297 VanDerWaalsContact CG2-OG1 3.24Å; T288-T297 WeakPolarHBondContact CG2-OG1 3.2Å; T288-T297 PolarHBondContact N-O 3.47Å; T288-T297 PolarHBondContact OG1-N 3.47Å; T288-T297 VanDerWaalsContact OG1-N 3.14Å; T288-T297 PolarHBondContact OG1-O 3.16Å; T288-T297 PolarHBondContact OG1-OG1 3.4Å; T288-L299 HydrophobicContact CG2-CD2 3.82Å; T288-L299 HydrophobicContact CG2-CG 4.25Å
289	S	83.3	Confident	82.8	Confident	45 Å²	45	68.2 Å²	68.2	32%	0.315	35%	0.346	S	S	.	.	S	Bend	trans	-142.2	145.8	177.9	167.7	0	0	0	0	110.1	Y287 D291	Y287-S289 PolarHBondContact O-N 3.34Å; S289-D291 PolarHBondContact OG-N 2.73Å; S289-D291 PolarHBondContact OG-O 3.19Å; S289-D291 VanDerWaalsContact OG-O 3.08Å
290	R	78.5	Confident	82.5	Confident	131 Å²	131	75.2 Å²	75.2	49%	0.494	38%	0.384	S	S	.	.	S	Bend	trans	-64.9	-41.2	171.6	-74	-179.6	164.7	150.5	2.5	113.1	D272 V292	D272-R290 IonicContact OD1-CZ 3.75Å; D272-R290 IonicContact OD1-NH1 3.89Å; D272-R290 IonicContact OD1-NH2 3.87Å; D272-R290 PolarHBondContact OD1-NH2 2.99Å; D272-R290 IonicContact OD2-CZ 2.91Å; D272-R290 IonicContact OD2-NH1 3.34Å; D272-R290 PolarHBondContact OD2-NH1 2.66Å; D272-R290 IonicContact OD2-NH2 3.15Å; D272-R290 PolarHBondContact OD2-NH2 2.76Å; R290-V292 PolarHBondContact O-N 3.13Å
291	D	70.4	Confident	82.4	Confident	124 Å²	124	73.6 Å²	73.6	66%	0.663	37%	0.373	S	S	*	.	S	Bend	trans	-82.5	111.6	175.1	-75.1	-41.9	0	0	0	109.3	S289 M293	S289-D291 PolarHBondContact OG-N 2.73Å; S289-D291 PolarHBondContact OG-O 3.19Å; S289-D291 VanDerWaalsContact OG-O 3.08Å; D291-M293 PolarHBondContact O-N 3.21Å
292	V	59.3	Low	82.4	Confident	86 Å²	86	72 Å²	72	52%	0.521	37%	0.368	S	S	.	.			trans	-76.3	18.6	178.5	-164.7	0	0	0	0	111.6	R290 E294	R290-V292 PolarHBondContact O-N 3.13Å; V292-E294 PolarHBondContact O-N 3.22Å
293	M	53.5	Low	82.3	Confident	155 Å²	155	75.5 Å²	75.5	76%	0.764	38%	0.381	S	S	*	.	S	Bend	trans	-87.5	103.1	179.7	-65.8	-146.9	76	0	0	111.3	D291 K295	D291-M293 PolarHBondContact O-N 3.21Å; M293-K295 PolarHBondContact O-N 3.15Å
294	E	52.6	Low	82	Confident	191 Å²	191	75.2 Å²	75.2	89%	0.893	38%	0.38	S	S	*	.	S	Bend	trans	59.7	-8.9	160.4	-60.8	-170	154.6	0	0	119.5	V292	V292-E294 PolarHBondContact O-N 3.22Å
295	K	58.2	Low	81.8	Confident	197 Å²	197	79.2 Å²	79.2	86%	0.857	40%	0.401	S	S	*	.			trans	-131.7	-0.1	177.9	-71.5	-172.3	178.7	179.1	0	116.3	M293 T297	M293-K295 PolarHBondContact O-N 3.15Å; K295-T297 PolarHBondContact O-N 3.4Å
296	S	71.1	Confident	81.7	Confident	27 Å²	27	79.4 Å²	79.4	19%	0.189	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-74	122.8	175.6	55.7	0	0	0	0	111.1
297	T	85.2	Confident	81.8	Confident	87 Å²	87	85.2 Å²	85.2	53%	0.534	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-88.7	142	167.3	54.4	0	0	0	0	109.8	Y287 T288 K295	Y287-T297 WeakPolarHBondContact CA-O 3.37Å; T288-T297 VanDerWaalsContact CG2-OG1 3.24Å; T288-T297 WeakPolarHBondContact CG2-OG1 3.2Å; T288-T297 PolarHBondContact N-O 3.47Å; T288-T297 PolarHBondContact OG1-N 3.47Å; T288-T297 VanDerWaalsContact OG1-N 3.14Å; T288-T297 PolarHBondContact OG1-O 3.16Å; T288-T297 PolarHBondContact OG1-OG1 3.4Å; K295-T297 PolarHBondContact O-N 3.4Å
298	E	89.4	Confident	81.8	Confident	100 Å²	100	87.2 Å²	87.2	47%	0.467	44%	0.44	S	S	.	.	B	Isolated β-bridge	trans	-69.5	145	169	-156	163.2	125	0	0	109.7	H285 V286 Y287	H285-E298 HydrophobicContact CB-CG 4.46Å; H285-E298 IonicContact CE1-OE1 2.77Å; H285-E298 IonicContact CG-OE1 3.55Å; H285-E298 IonicContact ND1-OE1 2.79Å; H285-E298 PolarHBondContact ND1-OE1 3.11Å; H285-E298 IonicContact ND1-OE2 2.78Å; V286-E298 WeakPolarHBondContact O-CA 3.32Å; Y287-E298 HydrophobicContact CD1-CB 3.95Å; Y287-E298 HydrophobicContact CD1-CG 4.06Å; Y287-E298 HydrophobicContact CE1-CB 3.73Å; Y287-E298 HydrophobicContact CE1-CG 3.61Å; Y287-E298 WeakPolarHBondContact CE1-OE2 3.39Å; Y287-E298 PolarHBondContact OH-OE2 3.11Å
299	L	90.4	Very high	82.2	Confident	33 Å²	33	84.4 Å²	84.4	17%	0.173	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-82.1	135.6	171.6	-72.1	170.6	0	0	0	109.2	Y275 V286 T288 L301	Y275-L299 HydrophobicContact CD1-CD1 4.23Å; Y275-L299 HydrophobicContact CD2-CD1 3.61Å; Y275-L299 HydrophobicContact CE1-CD1 4.18Å; Y275-L299 HydrophobicContact CE2-CD1 3.55Å; Y275-L299 HydrophobicContact CG-CD1 3.97Å; V286-L299 HydrophobicContact CB-CD1 4.1Å; V286-L299 HydrophobicContact CG1-CD1 3.72Å; V286-L299 PolarHBondContact O-N 2.95Å; T288-L299 HydrophobicContact CG2-CD2 3.82Å; T288-L299 HydrophobicContact CG2-CG 4.25Å; L299-L301 HydrophobicContact CB-CD1 4.38Å; L299-L301 HydrophobicContact CB-CG 4.13Å; L299-L301 PolarHBondContact O-N 2.66Å
300	D	89.8	Confident	82.7	Confident	153 Å²	153	82.7 Å²	82.7	82%	0.818	41%	0.41	S	S	*	.			trans	-76.5	90.6	175.9	-166.1	10.3	0	0	0	109.4
301	L	93.1	Very high	83.4	Confident	12 Å²	12	78.2 Å²	78.2	6%	0.063	40%	0.401	C	S	.	.			trans	-116	103.9	176.9	-61.4	176.3	0	0	0	107.3	V286 L299 V623 H626 L627	V286-L301 HydrophobicContact CB-CD1 3.94Å; V286-L301 HydrophobicContact CG2-CD1 3.65Å; L299-L301 HydrophobicContact CB-CD1 4.38Å; L299-L301 HydrophobicContact CB-CG 4.13Å; L299-L301 PolarHBondContact O-N 2.66Å; L301-V623 HydrophobicContact CB-CG1 3.85Å; L301-V623 HydrophobicContact CD1-CG1 3.68Å; L301-V623 HydrophobicContact CG-CG1 4.43Å; L301-H626 HydrophobicContact CD2-CB 3.82Å; L301-L627 HydrophobicContact CD1-CB 4.21Å
302	P	93.1	Very high	84.6	Confident	52 Å²	52	72.3 Å²	72.3	34%	0.338	37%	0.369	S	S	.	.			trans	-72.4	143.3	-168	28.9	-35.1	0	0	0	111.6	L205 T622	L205-P302 HydrophobicContact CD2-CB 4.3Å; P302-T622 VanDerWaalsContact O-CG2 3.27Å; P302-T622 WeakPolarHBondContact O-CG2 3.36Å
303	Y	93.5	Very high	86.2	Confident	74 Å²	74	68.4 Å²	68.4	29%	0.29	35%	0.345	S	S	.	.			trans	-152.9	153.3	167.9	66.9	-83.3	0	0	0	108.3	V283 H285 A619 V623	V283-Y303 HydrophobicContact CB-CE2 4.35Å; V283-Y303 HydrophobicContact CG1-CD1 4.31Å; V283-Y303 HydrophobicContact CG1-CD2 4.19Å; V283-Y303 HydrophobicContact CG1-CE1 4.03Å; V283-Y303 HydrophobicContact CG1-CE2 3.92Å; V283-Y303 HydrophobicContact CG1-CG 4.39Å; V283-Y303 HydrophobicContact CG2-CE2 4.04Å; H285-Y303 PolarHBondContact CE1-OH 3.12Å; Y303-A619 HydrophobicContact CD2-CB 4.23Å; Y303-V623 HydrophobicContact CD1-CG2 3.49Å; Y303-V623 VanDerWaalsContact CD1-CG2 3.49Å; Y303-V623 HydrophobicContact CE1-CG2 4.29Å; Y303-V623 HydrophobicContact CG-CG2 3.89Å
304	P	92.5	Very high	88.1	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.316	C	S	.	.			trans	-72.2	134	177.4	29.4	-31.6	0	0	0	109.7	Y202 L205 Y615 Y618	Y202-P304 HydrophobicContact CD1-CG 3.95Å; Y202-P304 HydrophobicContact CE1-CB 3.79Å; Y202-P304 HydrophobicContact CE1-CG 3.51Å; L205-P304 HydrophobicContact CD1-CB 4.18Å; L205-P304 HydrophobicContact CD1-CG 4.36Å; P304-Y615 PolarHBondContact O-OH 3.04Å; P304-Y618 HydrophobicContact CG-CD1 4.29Å; P304-Y618 HydrophobicContact CG-CE1 3.56Å
305	D	91.9	Very high	90	Very high	84 Å²	84	53.6 Å²	53.6	45%	0.449	28%	0.276	S	S	.	.			trans	-75.6	167.9	176.4	78.9	40.5	0	0	0	112.2	Q307 E308 Y309	D305-Q307 VanDerWaalsContact C-N 3.26Å; D305-Q307 PolarHBondContact O-N 3.33Å; D305-Q307 VanDerWaalsContact OD1-CA 3.31Å; D305-Q307 WeakPolarHBondContact OD1-CA 3.29Å; D305-Q307 VanDerWaalsContact OD1-CB 3.29Å; D305-Q307 WeakPolarHBondContact OD1-CB 3.27Å; D305-Q307 PolarHBondContact OD1-N 3.38Å; D305-E308 PolarHBondContact O-N 3.45Å; D305-E308 PolarHBondContact OD1-N 2.98Å; D305-Y309 WeakPolarHBondContact O-CB 3.37Å; D305-Y309 PolarHBondContact O-N 3.22Å
306	L	94	Very high	91.7	Very high	26 Å²	26	44.2 Å²	44.2	14%	0.136	24%	0.235	C	C	.	.	H	α-helix	trans	-65.8	-30.4	-176.1	-179.2	60.5	0	0	0	112.3	I310 F592 L594 L598 Y615	L306-I310 HydrophobicContact CD1-CD1 4.42Å; L306-I310 HydrophobicContact CD1-CG1 3.91Å; L306-I310 HydrophobicContact CG-CG1 4.37Å; L306-I310 WeakPolarHBondContact O-CB 3.01Å; L306-I310 VanDerWaalsContact O-CG1 3.25Å; L306-I310 WeakPolarHBondContact O-CG1 3.48Å; L306-I310 PolarHBondContact O-N 3.23Å; L306-F592 HydrophobicContact CD1-CE1 4.1Å; L306-F592 HydrophobicContact CD1-CE2 3.7Å; L306-F592 HydrophobicContact CD1-CZ 3.28Å; L306-L594 HydrophobicContact CD2-CD2 4.48Å; L306-L594 HydrophobicContact CG-CD2 4.01Å; L306-L598 HydrophobicContact CD2-CD2 4.22Å; L306-Y615 WeakPolarHBondContact CA-OH 3.2Å; L306-Y615 HydrophobicContact CB-CE1 4.36Å; L306-Y615 HydrophobicContact CD1-CD1 4.15Å; L306-Y615 HydrophobicContact CD1-CE1 3.84Å; L306-Y615 PolarHBondContact N-OH 3.01Å; L306-Y615 VanDerWaalsContact N-OH 3.08Å
307	Q	94.8	Very high	92.6	Very high	125 Å²	125	43 Å²	43	58%	0.584	23%	0.226	S	C	*	.	H	α-helix	trans	-72.5	-42.1	178.9	-175.8	178.7	-33.9	0	0	111.1	D305 A311 L594	D305-Q307 VanDerWaalsContact C-N 3.26Å; D305-Q307 PolarHBondContact O-N 3.33Å; D305-Q307 VanDerWaalsContact OD1-CA 3.31Å; D305-Q307 WeakPolarHBondContact OD1-CA 3.29Å; D305-Q307 VanDerWaalsContact OD1-CB 3.29Å; D305-Q307 WeakPolarHBondContact OD1-CB 3.27Å; D305-Q307 PolarHBondContact OD1-N 3.38Å; Q307-A311 VanDerWaalsContact O-CB 3.28Å; Q307-A311 WeakPolarHBondContact O-CB 3.27Å; Q307-A311 PolarHBondContact O-N 3.34Å; Q307-L594 HydrophobicContact CB-CD2 4.22Å; Q307-L594 HydrophobicContact CG-CD1 4.36Å
308	E	94.6	Very high	92.9	Very high	70 Å²	70	38.9 Å²	38.9	33%	0.327	20%	0.201	S	C	.	.	H	α-helix	trans	-61.8	-49.2	172.1	-176.5	170.4	-154.5	0	0	111.2	K201 D305 I310 A311 D312	K201-E308 WeakPolarHBondContact CE-OE1 3.39Å; K201-E308 IonicContact NZ-OE1 3.01Å; K201-E308 PolarHBondContact NZ-OE1 2.86Å; D305-E308 PolarHBondContact O-N 3.45Å; D305-E308 PolarHBondContact OD1-N 2.98Å; E308-I310 PolarHBondContact O-N 2.82Å; E308-A311 WeakPolarHBondContact O-CB 3.31Å; E308-A311 PolarHBondContact O-N 3.13Å; E308-A311 VanDerWaalsContact O-N 3.16Å; E308-D312 PolarHBondContact O-N 3.01Å
309	Y	96.2	Very high	92.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-58.2	-49.7	178.8	175.5	-103	0	0	0	113.2	Y202 D305 A311 D312 M313 F592 Y615 M656 L657	Y202-Y309 HydrophobicContact CE1-CD2 4.12Å; Y202-Y309 VanDerWaalsContact OH-CA 3.31Å; Y202-Y309 WeakPolarHBondContact OH-CA 3.49Å; D305-Y309 WeakPolarHBondContact O-CB 3.37Å; D305-Y309 PolarHBondContact O-N 3.22Å; Y309-A311 VanDerWaalsContact C-N 3.29Å; Y309-A311 PolarHBondContact O-N 2.92Å; Y309-D312 PolarHBondContact O-N 3.42Å; Y309-M313 HydrophobicContact CE1-SD 4.01Å; Y309-M313 VanDerWaalsContact O-CB 3.27Å; Y309-M313 WeakPolarHBondContact O-CB 3.49Å; Y309-M313 PolarHBondContact O-N 3.15Å; Y309-F592 HydrophobicContact CD1-CD1 4.5Å; Y309-F592 AromaticContact CD1-CE1 3.92Å; Y309-F592 HydrophobicContact CD1-CE1 3.92Å; Y309-F592 AromaticContact CE1-CD1 3.8Å; Y309-F592 HydrophobicContact CE1-CD1 3.8Å; Y309-F592 AromaticContact CE1-CE1 3.53Å; Y309-F592 HydrophobicContact CE1-CE1 3.53Å; Y309-Y615 AromaticContact CD1-CD2 3.56Å; Y309-Y615 HydrophobicContact CD1-CD2 3.56Å; Y309-Y615 HydrophobicContact CD1-CE2 4.25Å; Y309-Y615 AromaticContact CD1-CG 3.91Å; Y309-Y615 HydrophobicContact CD1-CG 3.91Å; Y309-Y615 AromaticContact CD2-CD2 3.82Å; Y309-Y615 HydrophobicContact CD2-CD2 3.82Å; Y309-Y615 HydrophobicContact CE1-CD2 4.17Å; Y309-Y615 HydrophobicContact CE1-CG 4.19Å; Y309-Y615 HydrophobicContact CE2-CD2 4.39Å; Y309-Y615 AromaticContact CG-CD2 3.36Å; Y309-Y615 HydrophobicContact CG-CD2 3.36Å; Y309-Y615 AromaticContact CG-CE2 3.88Å; Y309-Y615 HydrophobicContact CG-CE2 3.88Å; Y309-Y615 HydrophobicContact CG-CG 4.17Å; Y309-M656 HydrophobicContact CD2-CE 3.8Å; Y309-M656 HydrophobicContact CE2-CE 3.78Å; Y309-L657 HydrophobicContact CD2-CD2 4.21Å; Y309-L657 HydrophobicContact CE2-CD1 3.78Å; Y309-L657 HydrophobicContact CE2-CD2 3.93Å; Y309-L657 HydrophobicContact CE2-CG 4.1Å
310	I	95	Very high	92.9	Very high	10 Å²	10	33.1 Å²	33.1	5%	0.051	17%	0.174	C	C	.	.	H	α-helix	trans	-66.6	-32.5	178.6	-65	-60.5	0	0	0	111.1	L306 E308 N314 F592 L594	L306-I310 HydrophobicContact CD1-CD1 4.42Å; L306-I310 HydrophobicContact CD1-CG1 3.91Å; L306-I310 HydrophobicContact CG-CG1 4.37Å; L306-I310 WeakPolarHBondContact O-CB 3.01Å; L306-I310 VanDerWaalsContact O-CG1 3.25Å; L306-I310 WeakPolarHBondContact O-CG1 3.48Å; L306-I310 PolarHBondContact O-N 3.23Å; E308-I310 PolarHBondContact O-N 2.82Å; I310-N314 WeakPolarHBondContact CG2-ND2 3.12Å; I310-N314 WeakPolarHBondContact O-CB 3.46Å; I310-N314 VanDerWaalsContact O-CG 3.26Å; I310-N314 PolarHBondContact O-N 3.34Å; I310-N314 VanDerWaalsContact O-N 3.08Å; I310-N314 PolarHBondContact O-ND2 3.15Å; I310-F592 HydrophobicContact CD1-CD1 4.02Å; I310-F592 HydrophobicContact CD1-CD2 4.39Å; I310-F592 HydrophobicContact CD1-CE1 4.24Å; I310-F592 HydrophobicContact CD1-CG 4.11Å; I310-L594 HydrophobicContact CB-CD2 4.26Å; I310-L594 HydrophobicContact CB-CG 4.26Å; I310-L594 HydrophobicContact CG1-CD2 4.2Å; I310-L594 HydrophobicContact CG1-CG 4.43Å; I310-L594 HydrophobicContact CG2-CG 4.14Å
311	A	93.5	Very high	92.6	Very high	36 Å²	36	28 Å²	28	30%	0.298	15%	0.146	S	C	.	.	H	α-helix	trans	-64.7	-50	174.6	0	0	0	0	0	112	Q307 E308 Y309 N314 V315	Q307-A311 VanDerWaalsContact O-CB 3.28Å; Q307-A311 WeakPolarHBondContact O-CB 3.27Å; Q307-A311 PolarHBondContact O-N 3.34Å; E308-A311 WeakPolarHBondContact O-CB 3.31Å; E308-A311 PolarHBondContact O-N 3.13Å; E308-A311 VanDerWaalsContact O-N 3.16Å; Y309-A311 VanDerWaalsContact C-N 3.29Å; Y309-A311 PolarHBondContact O-N 2.92Å; A311-N314 PolarHBondContact O-N 3.44Å; A311-V315 PolarHBondContact O-N 2.96Å; A311-V315 VanDerWaalsContact O-N 3.14Å
312	D	95.1	Very high	92.4	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-64.4	-41.8	178.1	-66.3	-40	0	0	0	112	I198 K201 Y202 E308 Y309 N314 V315 M316 M656	I198-D312 HydrophobicContact CD1-CB 4.3Å; I198-D312 HydrophobicContact CG1-CB 4.49Å; I198-D312 HydrophobicContact CG2-CB 4.04Å; K201-D312 WeakPolarHBondContact CE-OD2 3.26Å; K201-D312 IonicContact NZ-OD1 3.71Å; K201-D312 PolarHBondContact NZ-OD1 2.85Å; K201-D312 IonicContact NZ-OD2 3.65Å; K201-D312 PolarHBondContact NZ-OD2 3.08Å; Y202-D312 HydrophobicContact CE2-CB 4.28Å; Y202-D312 WeakPolarHBondContact CE2-OD2 3.4Å; Y202-D312 PolarHBondContact OH-OD2 3.07Å; E308-D312 PolarHBondContact O-N 3.01Å; Y309-D312 PolarHBondContact O-N 3.42Å; D312-N314 VanDerWaalsContact C-N 3.3Å; D312-N314 PolarHBondContact O-N 2.65Å; D312-V315 WeakPolarHBondContact O-CB 3.19Å; D312-V315 PolarHBondContact O-N 3.28Å; D312-V315 VanDerWaalsContact O-N 3.13Å; D312-M316 WeakPolarHBondContact O-CG 3.42Å; D312-M316 PolarHBondContact O-N 3.27Å; D312-M656 HydrophobicContact CB-CE 3.53Å
313	M	93.3	Very high	92.2	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.02	15%	0.153	C	C	.	.	H	α-helix	trans	-60.4	-41.1	177.7	-169.2	-175.7	-173	0	0	111	Y309 M316 M317 H649 V652 M656	Y309-M313 HydrophobicContact CE1-SD 4.01Å; Y309-M313 VanDerWaalsContact O-CB 3.27Å; Y309-M313 WeakPolarHBondContact O-CB 3.49Å; Y309-M313 PolarHBondContact O-N 3.15Å; M313-M316 PolarHBondContact O-N 3.07Å; M313-M317 HydrophobicContact CG-CG 4.42Å; M313-M317 WeakPolarHBondContact O-CB 3.42Å; M313-M317 WeakPolarHBondContact O-CG 3.42Å; M313-M317 PolarHBondContact O-N 3.34Å; M313-H649 HydrophobicContact CE-CB 4.26Å; M313-V652 HydrophobicContact CG-CG1 4.07Å; M313-M656 HydrophobicContact CB-CE 4.41Å; M313-M656 HydrophobicContact CB-SD 4.21Å
314	N	91.9	Very high	92	Very high	27 Å²	27	28.5 Å²	28.5	14%	0.144	16%	0.164	C	C	.	.	H	α-helix	trans	-65.4	-36.9	175.1	-76.4	-48.3	0	0	0	112.7	A77 I310 A311 D312 A318	A77-N314 HydrophobicContact CB-CB 4.21Å; A77-N314 WeakPolarHBondContact CB-OD1 3.49Å; I310-N314 WeakPolarHBondContact CG2-ND2 3.12Å; I310-N314 WeakPolarHBondContact O-CB 3.46Å; I310-N314 VanDerWaalsContact O-CG 3.26Å; I310-N314 PolarHBondContact O-N 3.34Å; I310-N314 VanDerWaalsContact O-N 3.08Å; I310-N314 PolarHBondContact O-ND2 3.15Å; A311-N314 PolarHBondContact O-N 3.44Å; D312-N314 VanDerWaalsContact C-N 3.3Å; D312-N314 PolarHBondContact O-N 2.65Å; N314-A318 WeakPolarHBondContact O-CB 3.17Å; N314-A318 PolarHBondContact O-N 3.07Å; N314-A318 VanDerWaalsContact O-N 3.11Å
315	V	93.4	Very high	92	Very high	8 Å²	8	28.7 Å²	28.7	5%	0.048	17%	0.165	C	C	.	.	H	α-helix	trans	-59.2	-55.4	171.1	174.7	0	0	0	0	109.3	Y73 K194 I198 A311 D312 M317 A318 L319	Y73-V315 HydrophobicContact CD1-CG2 4.4Å; Y73-V315 HydrophobicContact CD2-CG2 3.72Å; Y73-V315 HydrophobicContact CE1-CG1 4.37Å; Y73-V315 HydrophobicContact CE2-CG2 3.92Å; Y73-V315 HydrophobicContact CG-CG2 3.97Å; K194-V315 HydrophobicContact CD-CG1 4.26Å; K194-V315 HydrophobicContact CG-CG1 4.49Å; I198-V315 HydrophobicContact CD1-CB 4.17Å; I198-V315 HydrophobicContact CD1-CG1 3.96Å; A311-V315 PolarHBondContact O-N 2.96Å; A311-V315 VanDerWaalsContact O-N 3.14Å; D312-V315 WeakPolarHBondContact O-CB 3.19Å; D312-V315 PolarHBondContact O-N 3.28Å; D312-V315 VanDerWaalsContact O-N 3.13Å; V315-M317 VanDerWaalsContact C-N 3.34Å; V315-M317 PolarHBondContact O-N 3.38Å; V315-A318 WeakPolarHBondContact O-CB 3.45Å; V315-A318 PolarHBondContact O-N 3.31Å; V315-A318 VanDerWaalsContact O-N 3.12Å; V315-L319 HydrophobicContact CG1-CD1 4.34Å; V315-L319 HydrophobicContact CG1-CG 4.34Å; V315-L319 WeakPolarHBondContact O-CG 3.31Å; V315-L319 PolarHBondContact O-N 2.95Å
316	M	94.4	Very high	92	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-56.9	-44	-178.3	-69.9	-59.4	-54.6	0	0	113.1	A195 I198 D312 M313 A318 L319 I320 V652 F655 M656 L673 L676	A195-M316 HydrophobicContact CB-CE 3.93Å; A195-M316 HydrophobicContact CB-SD 3.52Å; A195-M316 VanDerWaalsContact CB-SD 3.52Å; I198-M316 HydrophobicContact CD1-CG 4.32Å; I198-M316 HydrophobicContact CD1-SD 4.19Å; I198-M316 HydrophobicContact CG2-CG 4.43Å; D312-M316 WeakPolarHBondContact O-CG 3.42Å; D312-M316 PolarHBondContact O-N 3.27Å; M313-M316 PolarHBondContact O-N 3.07Å; M316-A318 PolarHBondContact O-N 3.08Å; M316-L319 PolarHBondContact O-N 2.83Å; M316-L319 HydrophobicContact SD-CD1 4.48Å; M316-I320 WeakPolarHBondContact O-CD1 3.42Å; M316-I320 WeakPolarHBondContact O-CG1 3.44Å; M316-I320 PolarHBondContact O-N 3.34Å; M316-V652 HydrophobicContact CB-CG1 3.55Å; M316-V652 HydrophobicContact CG-CG1 4.32Å; M316-F655 HydrophobicContact CE-CD1 3.37Å; M316-F655 HydrophobicContact CE-CE1 3.55Å; M316-F655 HydrophobicContact CE-CG 4.29Å; M316-F655 HydrophobicContact SD-CD1 4.25Å; M316-F655 HydrophobicContact SD-CE1 4.1Å; M316-M656 HydrophobicContact CB-SD 4.43Å; M316-M656 HydrophobicContact CG-CG 4.16Å; M316-M656 HydrophobicContact CG-SD 3.87Å; M316-L673 HydrophobicContact CE-CD2 4.32Å; M316-L676 HydrophobicContact CE-CD1 3.92Å
317	M	90.4	Very high	91.9	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-60.7	-42.4	176.8	-74	-69.8	-82.9	0	0	112.3	A77 L80 F81 M313 V315 I320 H649 V652	A77-M317 HydrophobicContact CB-CB 3.83Å; L80-M317 HydrophobicContact CB-CE 4.22Å; L80-M317 HydrophobicContact CD2-CB 4.35Å; L80-M317 HydrophobicContact CD2-CE 3.27Å; L80-M317 HydrophobicContact CD2-SD 3.6Å; L80-M317 VanDerWaalsContact CD2-SD 3.6Å; L80-M317 HydrophobicContact CG-CE 3.66Å; F81-M317 HydrophobicContact CD1-CE 3.99Å; F81-M317 HydrophobicContact CD2-CE 4.16Å; F81-M317 HydrophobicContact CE1-CE 3.61Å; F81-M317 HydrophobicContact CE2-CE 3.79Å; F81-M317 HydrophobicContact CG-CE 4.26Å; F81-M317 HydrophobicContact CZ-CE 3.51Å; M313-M317 HydrophobicContact CG-CG 4.42Å; M313-M317 WeakPolarHBondContact O-CB 3.42Å; M313-M317 WeakPolarHBondContact O-CG 3.42Å; M313-M317 PolarHBondContact O-N 3.34Å; V315-M317 VanDerWaalsContact C-N 3.34Å; V315-M317 PolarHBondContact O-N 3.38Å; M317-I320 PolarHBondContact O-N 3.35Å; M317-H649 HydrophobicContact CE-CB 3.55Å; M317-H649 HydrophobicContact SD-CB 3.48Å; M317-H649 WeakPolarHBondContact SD-CB 3.44Å; M317-V652 HydrophobicContact SD-CB 4.45Å; M317-V652 HydrophobicContact SD-CG2 3.85Å
318	A	90.1	Very high	91.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-67.2	-38.7	177.1	0	0	0	0	0	113.1	Y73 I76 N314 V315 M316 I320 I321 N322	Y73-A318 HydrophobicContact CD1-CB 3.65Å; Y73-A318 HydrophobicContact CE1-CB 4.44Å; I76-A318 HydrophobicContact CB-CB 3.93Å; I76-A318 HydrophobicContact CG2-CB 3.57Å; N314-A318 WeakPolarHBondContact O-CB 3.17Å; N314-A318 PolarHBondContact O-N 3.07Å; N314-A318 VanDerWaalsContact O-N 3.11Å; V315-A318 WeakPolarHBondContact O-CB 3.45Å; V315-A318 PolarHBondContact O-N 3.31Å; V315-A318 VanDerWaalsContact O-N 3.12Å; M316-A318 PolarHBondContact O-N 3.08Å; A318-I320 VanDerWaalsContact C-N 3.25Å; A318-I320 PolarHBondContact O-N 3.38Å; A318-I321 PolarHBondContact O-N 3.46Å; A318-N322 PolarHBondContact O-N 3.07Å
319	L	90.5	Very high	91.9	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-60.3	-35.1	177.4	-64.3	-172.7	0	0	0	112.5	M69 C191 A195 V315 M316 N322	M69-L319 HydrophobicContact CE-CD2 3.46Å; M69-L319 VanDerWaalsContact CE-CD2 3.46Å; M69-L319 HydrophobicContact SD-CD2 4.45Å; C191-L319 HydrophobicContact CB-CD1 4.49Å; C191-L319 HydrophobicContact CB-CD2 3.73Å; C191-L319 VanDerWaalsContact O-CD1 3.31Å; C191-L319 WeakPolarHBondContact O-CD1 3.43Å; A195-L319 HydrophobicContact CB-CD1 3.84Å; V315-L319 HydrophobicContact CG1-CD1 4.34Å; V315-L319 HydrophobicContact CG1-CG 4.34Å; V315-L319 WeakPolarHBondContact O-CG 3.31Å; V315-L319 PolarHBondContact O-N 2.95Å; M316-L319 PolarHBondContact O-N 2.83Å; M316-L319 HydrophobicContact SD-CD1 4.48Å; L319-N322 PolarHBondContact O-N 3.06Å
320	I	89.1	Confident	91.9	Very high	11 Å²	11	26 Å²	26	6%	0.056	15%	0.152	C	C	.	.	H	α-helix	trans	-70.6	-33.1	-176.5	-70.6	161.1	0	0	0	112.7	M316 M317 A318 I648 V652 V672 L673	M316-I320 WeakPolarHBondContact O-CD1 3.42Å; M316-I320 WeakPolarHBondContact O-CG1 3.44Å; M316-I320 PolarHBondContact O-N 3.34Å; M317-I320 PolarHBondContact O-N 3.35Å; A318-I320 VanDerWaalsContact C-N 3.25Å; A318-I320 PolarHBondContact O-N 3.38Å; I320-I648 HydrophobicContact CG2-CG2 4.3Å; I320-V652 HydrophobicContact CD1-CG2 3.18Å; I320-V672 HydrophobicContact CG1-CB 4.33Å; I320-V672 HydrophobicContact CG1-CG1 4.46Å; I320-L673 HydrophobicContact CD1-CD1 3.55Å; I320-L673 HydrophobicContact CD1-CD2 3.95Å; I320-L673 HydrophobicContact CD1-CG 3.58Å; I320-L673 HydrophobicContact CG1-CD1 4.31Å; I320-L673 HydrophobicContact CG1-CG 3.96Å
321	I	85.2	Confident	91.8	Very high	46 Å²	46	31.8 Å²	31.8	24%	0.236	17%	0.174	C	C	.	.	H	α-helix	trans	-93.5	-8.7	179.3	75.5	175	0	0	0	113.6	I76 L80 A318 G323	I76-I321 HydrophobicContact CG2-CD1 3.48Å; I76-I321 VanDerWaalsContact CG2-CD1 3.48Å; I76-I321 HydrophobicContact CG2-CG1 3.64Å; I76-I321 WeakPolarHBondContact O-CD1 3.27Å; L80-I321 HydrophobicContact CB-CD1 4.18Å; L80-I321 HydrophobicContact CB-CG2 3.97Å; L80-I321 HydrophobicContact CD1-CG2 3.79Å; L80-I321 HydrophobicContact CD2-CG2 3.72Å; L80-I321 HydrophobicContact CG-CG2 4.02Å; A318-I321 PolarHBondContact O-N 3.46Å; I321-G323 PolarHBondContact O-N 3.04Å; I321-G323 VanDerWaalsContact O-N 3.1Å
322	N	87.8	Confident	91.9	Very high	27 Å²	27	30.9 Å²	30.9	14%	0.144	16%	0.163	C	C	.	.			trans	-61.4	113.4	173.7	-176.6	-69.4	0	0	0	110.5	M69 A318 L319 P324 V325 K326	M69-N322 HydrophobicContact CE-CB 4.15Å; M69-N322 WeakPolarHBondContact CE-ND2 3.29Å; M69-N322 HydrophobicContact SD-CB 3.82Å; M69-N322 PolarHBondContact SD-ND2 2.95Å; A318-N322 PolarHBondContact O-N 3.07Å; L319-N322 PolarHBondContact O-N 3.06Å; N322-P324 WeakPolarHBondContact OD1-CD 3.35Å; N322-V325 HydrophobicContact CB-CB 4.08Å; N322-V325 HydrophobicContact CB-CG2 4.04Å; N322-V325 PolarHBondContact O-N 3.22Å; N322-V325 VanDerWaalsContact OD1-CG2 3.27Å; N322-V325 WeakPolarHBondContact OD1-CG2 3.43Å; N322-V325 PolarHBondContact OD1-N 3.37Å; N322-K326 VanDerWaalsContact O-CB 3.26Å; N322-K326 WeakPolarHBondContact O-CB 3.49Å; N322-K326 PolarHBondContact O-N 3.27Å
323	G	89.1	Confident	92	Very high	39 Å²	39	31 Å²	31	40%	0.402	16%	0.163	S	C	.	.	H	α-helix	trans	-57.4	-50.5	-175.6	0	0	0	0	0	114.4	I321 K326 S327	I321-G323 PolarHBondContact O-N 3.04Å; I321-G323 VanDerWaalsContact O-N 3.1Å; G323-K326 PolarHBondContact O-N 2.99Å; G323-S327 WeakPolarHBondContact O-CB 3.2Å; G323-S327 PolarHBondContact O-N 2.85Å; G323-S327 PolarHBondContact O-OG 2.77Å
324	P	90	Very high	92.1	Very high	82 Å²	82	32.6 Å²	32.6	53%	0.532	17%	0.17	S	C	.	.	H	α-helix	trans	-54.4	-53.8	172.2	-30	35.4	0	0	0	114.1	N322 K326 S327 F328	N322-P324 WeakPolarHBondContact OD1-CD 3.35Å; P324-K326 VanDerWaalsContact C-N 3.34Å; P324-K326 PolarHBondContact O-N 2.88Å; P324-S327 WeakPolarHBondContact O-CB 3.25Å; P324-S327 PolarHBondContact O-N 3Å; P324-S327 VanDerWaalsContact O-N 3.1Å; P324-F328 PolarHBondContact O-N 3.29Å
325	V	91.7	Very high	92.2	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.018	17%	0.171	C	C	.	.	H	α-helix	trans	-60	-44	-179.8	179.1	0	0	0	0	110.9	C191 N322 S327 F328 C329 V672	C191-V325 HydrophobicContact CB-CG1 4.29Å; C191-V325 HydrophobicContact CB-CG2 3.75Å; N322-V325 HydrophobicContact CB-CB 4.08Å; N322-V325 HydrophobicContact CB-CG2 4.04Å; N322-V325 PolarHBondContact O-N 3.22Å; N322-V325 VanDerWaalsContact OD1-CG2 3.27Å; N322-V325 WeakPolarHBondContact OD1-CG2 3.43Å; N322-V325 PolarHBondContact OD1-N 3.37Å; V325-S327 VanDerWaalsContact C-N 3.34Å; V325-S327 PolarHBondContact O-N 2.88Å; V325-F328 PolarHBondContact O-N 3.12Å; V325-C329 WeakPolarHBondContact O-CB 3.2Å; V325-C329 PolarHBondContact O-N 3.4Å; V325-C329 PolarHBondContact O-SG 2.92Å; V325-V672 HydrophobicContact CG1-CG1 3.98Å; V325-V672 HydrophobicContact CG1-CG2 3.97Å
326	K	92.2	Very high	92.4	Very high	94 Å²	94	33 Å²	33	41%	0.409	17%	0.17	S	C	.	.	H	α-helix	trans	-60.4	-41.5	175.5	-177.4	173.3	179.9	171.2	0	112.3	N322 G323 P324 Y330 P671 V672	N322-K326 VanDerWaalsContact O-CB 3.26Å; N322-K326 WeakPolarHBondContact O-CB 3.49Å; N322-K326 PolarHBondContact O-N 3.27Å; G323-K326 PolarHBondContact O-N 2.99Å; P324-K326 VanDerWaalsContact C-N 3.34Å; P324-K326 PolarHBondContact O-N 2.88Å; K326-Y330 VanDerWaalsContact O-CB 3.23Å; K326-Y330 WeakPolarHBondContact O-CB 3.46Å; K326-Y330 PolarHBondContact O-N 2.67Å; K326-P671 HydrophobicContact CG-CB 4.5Å; K326-P671 HydrophobicContact CG-CG 4.23Å; K326-V672 HydrophobicContact CB-CG2 4Å
327	S	91.9	Very high	92.5	Very high	69 Å²	69	34 Å²	34	48%	0.483	18%	0.176	S	C	.	.	H	α-helix	trans	-68.9	-40.9	178.8	-58	0	0	0	0	112	G323 P324 V325 R331	G323-S327 WeakPolarHBondContact O-CB 3.2Å; G323-S327 PolarHBondContact O-N 2.85Å; G323-S327 PolarHBondContact O-OG 2.77Å; P324-S327 WeakPolarHBondContact O-CB 3.25Å; P324-S327 PolarHBondContact O-N 3Å; P324-S327 VanDerWaalsContact O-N 3.1Å; V325-S327 VanDerWaalsContact C-N 3.34Å; V325-S327 PolarHBondContact O-N 2.88Å; S327-R331 WeakPolarHBondContact O-CG 3.19Å; S327-R331 PolarHBondContact O-N 3.1Å; S327-R331 VanDerWaalsContact O-N 3.07Å
328	F	93.9	Very high	92.7	Very high	5 Å²	5	37.1 Å²	37.1	2%	0.022	20%	0.198	C	C	.	.	H	α-helix	trans	-60.9	-55.8	173.3	172.2	-100.2	0	0	0	111.4	V180 L185 A188 P324 V325 Y330 R331 R332 Y675 L807 I808	V180-F328 HydrophobicContact CG2-CD2 4.22Å; L185-F328 HydrophobicContact CD1-CD2 4.5Å; L185-F328 HydrophobicContact CD1-CE2 3.52Å; L185-F328 HydrophobicContact CD1-CZ 3.77Å; A188-F328 HydrophobicContact CB-CB 3.85Å; A188-F328 HydrophobicContact CB-CD1 3.6Å; A188-F328 HydrophobicContact CB-CD2 4.29Å; A188-F328 HydrophobicContact CB-CE1 4.22Å; A188-F328 HydrophobicContact CB-CG 3.63Å; P324-F328 PolarHBondContact O-N 3.29Å; V325-F328 PolarHBondContact O-N 3.12Å; F328-Y330 VanDerWaalsContact C-N 3.31Å; F328-Y330 PolarHBondContact O-N 2.83Å; F328-R331 WeakPolarHBondContact O-CB 3.45Å; F328-R331 PolarHBondContact O-N 3Å; F328-R332 HydrophobicContact CD1-CG 4.34Å; F328-R332 HydrophobicContact CD2-CG 4.46Å; F328-R332 HydrophobicContact CE1-CG 3.89Å; F328-R332 HydrophobicContact CE2-CG 4Å; F328-R332 HydrophobicContact CZ-CG 3.71Å; F328-R332 PolarHBondContact O-N 3.39Å; F328-Y675 HydrophobicContact CE1-CE1 4.05Å; F328-L807 HydrophobicContact CZ-CD2 4.43Å; F328-I808 HydrophobicContact CE1-CG2 4.46Å; F328-I808 HydrophobicContact CZ-CG2 4.38Å
329	C	95.9	Very high	93	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.3	-42	-178.7	-62.8	0	0	0	0	111.5	V325 R331 R332 L333 P671 V672 Y675	V325-C329 WeakPolarHBondContact O-CB 3.2Å; V325-C329 PolarHBondContact O-N 3.4Å; V325-C329 PolarHBondContact O-SG 2.92Å; C329-R331 PolarHBondContact O-N 2.99Å; C329-R332 PolarHBondContact O-N 2.67Å; C329-L333 VanDerWaalsContact O-CG 3.26Å; C329-L333 WeakPolarHBondContact O-CG 3.44Å; C329-L333 PolarHBondContact O-N 2.95Å; C329-P671 HydrophobicContact CB-CB 4.38Å; C329-P671 WeakPolarHBondContact CB-O 3.46Å; C329-V672 HydrophobicContact CB-CG2 4.44Å; C329-Y675 HydrophobicContact CB-CD1 4.2Å; C329-Y675 HydrophobicContact CB-CG 4.24Å
330	Y	94.9	Very high	93.3	Very high	81 Å²	81	38.8 Å²	38.8	32%	0.318	21%	0.206	S	C	.	.	H	α-helix	trans	-59	-44.6	174	178.3	-97.7	0	0	0	112.5	E107 K326 F328 R332 L333 Q334 P671	E107-Y330 PolarHBondContact OE1-OH 3.34Å; K326-Y330 VanDerWaalsContact O-CB 3.23Å; K326-Y330 WeakPolarHBondContact O-CB 3.46Å; K326-Y330 PolarHBondContact O-N 2.67Å; F328-Y330 VanDerWaalsContact C-N 3.31Å; F328-Y330 PolarHBondContact O-N 2.83Å; Y330-R332 PolarHBondContact O-N 3.13Å; Y330-L333 PolarHBondContact O-N 3.49Å; Y330-Q334 HydrophobicContact CD1-CG 4.28Å; Y330-Q334 HydrophobicContact CE1-CG 3.84Å; Y330-Q334 HydrophobicContact CE2-CG 4.17Å; Y330-Q334 WeakPolarHBondContact O-CG 3.42Å; Y330-Q334 PolarHBondContact O-N 3.28Å; Y330-Q334 PolarHBondContact OH-NE2 3.29Å; Y330-P671 HydrophobicContact CD2-CG 4.16Å
331	R	93.8	Very high	93.7	Very high	132 Å²	132	44.1 Å²	44.1	50%	0.498	23%	0.23	S	C	.	.	H	α-helix	trans	-62.7	-40.3	175.7	-74.8	177.1	178.4	-161.2	0.4	112.2	G179 S327 F328 C329 Q334 Y335	G179-R331 PolarHBondContact O-NH1 3.26Å; S327-R331 WeakPolarHBondContact O-CG 3.19Å; S327-R331 PolarHBondContact O-N 3.1Å; S327-R331 VanDerWaalsContact O-N 3.07Å; F328-R331 WeakPolarHBondContact O-CB 3.45Å; F328-R331 PolarHBondContact O-N 3Å; C329-R331 PolarHBondContact O-N 2.99Å; R331-Q334 PolarHBondContact O-N 2.9Å; R331-Y335 WeakPolarHBondContact O-CB 3.45Å; R331-Y335 PolarHBondContact O-N 2.94Å
332	R	95.3	Very high	94.2	Very high	17 Å²	17	46.1 Å²	46.1	6%	0.064	24%	0.24	C	C	.	.	H	α-helix	trans	-63.7	-43.5	174.9	-59.2	-40.9	-59.8	170.9	-4.2	111.9	F328 C329 Y330 Q334 Y335 L336 Y675 E804 L807	F328-R332 HydrophobicContact CD1-CG 4.34Å; F328-R332 HydrophobicContact CD2-CG 4.46Å; F328-R332 HydrophobicContact CE1-CG 3.89Å; F328-R332 HydrophobicContact CE2-CG 4Å; F328-R332 HydrophobicContact CZ-CG 3.71Å; F328-R332 PolarHBondContact O-N 3.39Å; C329-R332 PolarHBondContact O-N 2.67Å; Y330-R332 PolarHBondContact O-N 3.13Å; R332-Q334 PolarHBondContact O-N 3.21Å; R332-Y335 WeakPolarHBondContact O-CB 3.38Å; R332-Y335 PolarHBondContact O-N 3.47Å; R332-Y335 VanDerWaalsContact O-N 3.16Å; R332-L336 WeakPolarHBondContact O-CG 3.31Å; R332-L336 PolarHBondContact O-N 3.21Å; R332-Y675 HydrophobicContact CB-CD2 3.92Å; R332-Y675 HydrophobicContact CB-CE2 3.48Å; R332-Y675 VanDerWaalsContact CB-CE2 3.48Å; R332-Y675 HydrophobicContact CG-CE1 4.35Å; R332-Y675 HydrophobicContact CG-CE2 4.06Å; R332-E804 IonicContact CZ-OE1 2.76Å; R332-E804 IonicContact CZ-OE2 2.76Å; R332-E804 IonicContact NE-OE1 3.73Å; R332-E804 IonicContact NE-OE2 2.79Å; R332-E804 PolarHBondContact NE-OE2 3.04Å; R332-E804 VanDerWaalsContact NH2-CD 3.33Å; R332-E804 IonicContact NH2-OE1 2.69Å; R332-E804 PolarHBondContact NH2-OE1 3.21Å; R332-E804 IonicContact NH2-OE2 3.06Å; R332-E804 PolarHBondContact NH2-OE2 2.97Å; R332-L807 VanDerWaalsContact CZ-CD2 3.47Å
333	L	97.1	Very high	94.7	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.016	23%	0.234	C	C	.	.	H	α-helix	trans	-64	-38.6	177.2	-68.5	166	0	0	0	113	C329 Y330 L336 S337 P671 Q674 Y675 R709	C329-L333 VanDerWaalsContact O-CG 3.26Å; C329-L333 WeakPolarHBondContact O-CG 3.44Å; C329-L333 PolarHBondContact O-N 2.95Å; Y330-L333 PolarHBondContact O-N 3.49Å; L333-L336 HydrophobicContact CD2-CD1 4.45Å; L333-L336 PolarHBondContact O-N 2.89Å; L333-S337 PolarHBondContact O-N 2.79Å; L333-S337 PolarHBondContact O-OG 3.22Å; L333-P671 HydrophobicContact CD1-CB 4.04Å; L333-P671 VanDerWaalsContact CD1-O 3.29Å; L333-P671 WeakPolarHBondContact CD1-O 3.18Å; L333-Q674 HydrophobicContact CD1-CB 3.94Å; L333-Q674 HydrophobicContact CD1-CG 4.23Å; L333-Q674 HydrophobicContact CD2-CG 4.13Å; L333-Y675 HydrophobicContact CD2-CD2 4.22Å; L333-Y675 HydrophobicContact CG-CD2 4.33Å; L333-R709 PolarHBondContact O-NE 3.07Å
334	Q	95.6	Very high	95	Very high	37 Å²	37	45 Å²	45	17%	0.173	22%	0.224	C	C	.	.	H	α-helix	trans	-69	-35.8	173	-67.6	-68	-16.5	0	0	112.1	E107 Y330 R331 R332 S338	E107-Q334 PolarHBondContact OE1-NE2 3.01Å; Y330-Q334 HydrophobicContact CD1-CG 4.28Å; Y330-Q334 HydrophobicContact CE1-CG 3.84Å; Y330-Q334 HydrophobicContact CE2-CG 4.17Å; Y330-Q334 WeakPolarHBondContact O-CG 3.42Å; Y330-Q334 PolarHBondContact O-N 3.28Å; Y330-Q334 PolarHBondContact OH-NE2 3.29Å; R331-Q334 PolarHBondContact O-N 2.9Å; R332-Q334 PolarHBondContact O-N 3.21Å; Q334-S338 WeakPolarHBondContact O-CB 3.41Å; Q334-S338 PolarHBondContact O-N 3.36Å; Q334-S338 VanDerWaalsContact O-N 3.07Å; Q334-S338 PolarHBondContact O-OG 2.79Å
335	Y	94.6	Very high	95.3	Very high	42 Å²	42	47.1 Å²	47.1	17%	0.165	23%	0.23	C	C	.	.	H	α-helix	trans	-60.6	-48.6	171.3	167.3	-110.3	0	0	0	111.7	I172 R331 R332 S337 S338 K339 E804	I172-Y335 HydrophobicContact CD1-CD2 4.36Å; I172-Y335 HydrophobicContact CD1-CE2 3.51Å; R331-Y335 WeakPolarHBondContact O-CB 3.45Å; R331-Y335 PolarHBondContact O-N 2.94Å; R332-Y335 WeakPolarHBondContact O-CB 3.38Å; R332-Y335 PolarHBondContact O-N 3.47Å; R332-Y335 VanDerWaalsContact O-N 3.16Å; Y335-S337 PolarHBondContact O-N 3.16Å; Y335-S338 PolarHBondContact O-N 3.34Å; Y335-S338 VanDerWaalsContact O-N 3.13Å; Y335-K339 HydrophobicContact CE1-CD 4.27Å; Y335-K339 HydrophobicContact CE2-CB 4.25Å; Y335-K339 HydrophobicContact CE2-CD 4.49Å; Y335-K339 HydrophobicContact CE2-CG 4.45Å; Y335-K339 WeakPolarHBondContact O-CB 3.31Å; Y335-K339 PolarHBondContact O-N 2.77Å; Y335-K339 WeakPolarHBondContact OH-CD 3.21Å; Y335-E804 WeakPolarHBondContact CE1-OE1 3.41Å
336	L	96.8	Very high	95.6	Very high	2 Å²	2	50 Å²	50	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-57.7	-47.4	178.7	-70.5	170.2	0	0	0	112.4	R332 L333 S338 K339 F340 Y675 Y678 R709 T800 E804	R332-L336 WeakPolarHBondContact O-CG 3.31Å; R332-L336 PolarHBondContact O-N 3.21Å; L333-L336 HydrophobicContact CD2-CD1 4.45Å; L333-L336 PolarHBondContact O-N 2.89Å; L336-S338 VanDerWaalsContact C-N 3.34Å; L336-S338 PolarHBondContact O-N 2.8Å; L336-K339 PolarHBondContact O-N 3.5Å; L336-F340 PolarHBondContact O-N 2.89Å; L336-Y675 HydrophobicContact CD1-CE2 4.47Å; L336-Y678 HydrophobicContact CD1-CD1 3.79Å; L336-Y678 HydrophobicContact CD1-CD2 4.12Å; L336-Y678 HydrophobicContact CD1-CE1 3.63Å; L336-Y678 HydrophobicContact CD1-CE2 3.96Å; L336-Y678 HydrophobicContact CD1-CG 4.03Å; L336-Y678 HydrophobicContact CD2-CE1 4.24Å; L336-Y678 HydrophobicContact CD2-CE2 4.31Å; L336-Y678 WeakPolarHBondContact CD2-OH 3.42Å; L336-R709 HydrophobicContact CB-CB 4.24Å; L336-R709 HydrophobicContact CB-CG 4.21Å; L336-T800 HydrophobicContact CD2-CG2 3.46Å; L336-T800 VanDerWaalsContact CD2-CG2 3.46Å; L336-E804 HydrophobicContact CD2-CG 3.96Å
337	S	96.3	Very high	95.8	Very high	20 Å²	20	45.5 Å²	45.5	14%	0.14	23%	0.225	C	C	.	.	H	α-helix	trans	-58.4	-44.6	174.2	-67.2	0	0	0	0	112.2	L333 Y335 F340 Q341 S708 R709	L333-S337 PolarHBondContact O-N 2.79Å; L333-S337 PolarHBondContact O-OG 3.22Å; Y335-S337 PolarHBondContact O-N 3.16Å; S337-F340 PolarHBondContact O-N 3.12Å; S337-Q341 PolarHBondContact O-N 3.19Å; S337-S708 PolarHBondContact OG-OG 2.93Å; S337-R709 WeakPolarHBondContact OG-CG 3.49Å; S337-R709 PolarHBondContact OG-NE 2.97Å
338	S	95.5	Very high	95.9	Very high	67 Å²	67	46.7 Å²	46.7	47%	0.469	22%	0.223	S	C	.	.	H	α-helix	trans	-68.5	-39.6	-178.7	-55.1	0	0	0	0	112.3	Q334 Y335 L336 Q341 M342	Q334-S338 WeakPolarHBondContact O-CB 3.41Å; Q334-S338 PolarHBondContact O-N 3.36Å; Q334-S338 VanDerWaalsContact O-N 3.07Å; Q334-S338 PolarHBondContact O-OG 2.79Å; Y335-S338 PolarHBondContact O-N 3.34Å; Y335-S338 VanDerWaalsContact O-N 3.13Å; L336-S338 VanDerWaalsContact C-N 3.34Å; L336-S338 PolarHBondContact O-N 2.8Å; S338-Q341 PolarHBondContact O-N 3.39Å; S338-M342 PolarHBondContact O-N 2.89Å; S338-M342 VanDerWaalsContact O-N 3.07Å
339	K	95.8	Very high	96	Very high	16 Å²	16	53.4 Å²	53.4	7%	0.07	26%	0.257	C	S	.	.	H	α-helix	trans	-64.5	-40.9	176.6	-162	-165.6	-172.3	-177.8	0	110.7	Y335 L336 M342 H343 Y796 T800 E803	Y335-K339 HydrophobicContact CE1-CD 4.27Å; Y335-K339 HydrophobicContact CE2-CB 4.25Å; Y335-K339 HydrophobicContact CE2-CD 4.49Å; Y335-K339 HydrophobicContact CE2-CG 4.45Å; Y335-K339 WeakPolarHBondContact O-CB 3.31Å; Y335-K339 PolarHBondContact O-N 2.77Å; Y335-K339 WeakPolarHBondContact OH-CD 3.21Å; L336-K339 PolarHBondContact O-N 3.5Å; K339-M342 PolarHBondContact O-N 2.79Å; K339-H343 PolarHBondContact O-N 3.08Å; K339-Y796 WeakPolarHBondContact CB-OH 3.32Å; K339-Y796 HydrophobicContact CD-CE2 4.04Å; K339-Y796 HydrophobicContact CG-CE2 4.07Å; K339-T800 HydrophobicContact CD-CG2 3.7Å; K339-T800 PolarHBondContact NZ-OG1 2.73Å; K339-E803 IonicContact NZ-OE1 3.46Å; K339-E803 PolarHBondContact NZ-OE1 3.47Å; K339-E803 IonicContact NZ-OE2 3.94Å; K339-E803 PolarHBondContact NZ-OE2 3.13Å
340	F	97.5	Very high	96	Very high	22 Å²	22	56.7 Å²	56.7	10%	0.096	27%	0.271	C	S	.	.	H	α-helix	trans	-68.6	-41.6	177.5	-178.6	-110.5	0	0	0	111.9	L336 S337 M342 H343 I344 S708 Y796	L336-F340 PolarHBondContact O-N 2.89Å; S337-F340 PolarHBondContact O-N 3.12Å; F340-M342 VanDerWaalsContact C-N 3.27Å; F340-M342 PolarHBondContact O-N 2.82Å; F340-H343 WeakPolarHBondContact O-CB 3.43Å; F340-H343 PolarHBondContact O-N 3.48Å; F340-H343 VanDerWaalsContact O-N 3.12Å; F340-I344 HydrophobicContact CD1-CG1 4.3Å; F340-I344 HydrophobicContact CD2-CG1 4.48Å; F340-I344 HydrophobicContact CE1-CD1 4.27Å; F340-I344 HydrophobicContact CE1-CG1 3.93Å; F340-I344 HydrophobicContact CE2-CD1 3.96Å; F340-I344 HydrophobicContact CE2-CG1 4.14Å; F340-I344 HydrophobicContact CZ-CD1 3.72Å; F340-I344 HydrophobicContact CZ-CG1 3.86Å; F340-I344 WeakPolarHBondContact O-CG1 3.44Å; F340-I344 PolarHBondContact O-N 3.14Å; F340-S708 WeakPolarHBondContact CB-O 3.24Å; F340-S708 WeakPolarHBondContact CG-O 3.24Å; F340-Y796 VanDerWaalsContact CA-OH 3.28Å; F340-Y796 WeakPolarHBondContact CA-OH 3.48Å; F340-Y796 HydrophobicContact CB-CE1 4.23Å; F340-Y796 HydrophobicContact CD2-CD1 4.13Å; F340-Y796 AromaticContact CD2-CE1 3.62Å; F340-Y796 HydrophobicContact CD2-CE1 3.62Å; F340-Y796 HydrophobicContact CG-CE1 4.41Å; F340-Y796 PolarHBondContact N-OH 3.18Å
341	Q	96.4	Very high	96	Very high	123 Å²	123	53 Å²	53	58%	0.575	26%	0.256	S	S	*	.	H	α-helix	trans	-57.9	-41.7	173.9	-173	177.6	8.4	0	0	111.7	S337 S338 L345	S337-Q341 PolarHBondContact O-N 3.19Å; S338-Q341 PolarHBondContact O-N 3.39Å; Q341-L345 WeakPolarHBondContact O-CG 3.37Å; Q341-L345 PolarHBondContact O-N 3.23Å; Q341-L345 VanDerWaalsContact O-N 3.17Å
342	M	96.6	Very high	96.1	Very high	88 Å²	88	49.7 Å²	49.7	43%	0.433	25%	0.248	S	C	.	.	H	α-helix	trans	-66.6	-41.3	174.4	-169.6	62.6	70.3	0	0	112.2	V170 S338 K339 F340 I344 L345 L346	V170-M342 HydrophobicContact CG2-CG 3.8Å; S338-M342 PolarHBondContact O-N 2.89Å; S338-M342 VanDerWaalsContact O-N 3.07Å; K339-M342 PolarHBondContact O-N 2.79Å; F340-M342 VanDerWaalsContact C-N 3.27Å; F340-M342 PolarHBondContact O-N 2.82Å; M342-I344 PolarHBondContact O-N 2.68Å; M342-L345 PolarHBondContact O-N 2.72Å; M342-L346 HydrophobicContact CG-CD1 4.09Å; M342-L346 HydrophobicContact CG-CG 4.47Å; M342-L346 WeakPolarHBondContact O-CG 3.47Å; M342-L346 PolarHBondContact O-N 3.46Å; M342-L346 VanDerWaalsContact O-N 3.13Å; M342-L346 HydrophobicContact SD-CD1 4.42Å; M342-L346 HydrophobicContact SD-CG 4.41Å
343	H	96.9	Very high	96	Very high	5 Å²	5	50.6 Å²	50.6	2%	0.023	26%	0.26	C	S	.	.	H	α-helix	trans	-56.9	-46.7	175	172.2	78.5	0	0	0	112.1	K339 F340 L346 N347 E351 Y796	K339-H343 PolarHBondContact O-N 3.08Å; F340-H343 WeakPolarHBondContact O-CB 3.43Å; F340-H343 PolarHBondContact O-N 3.48Å; F340-H343 VanDerWaalsContact O-N 3.12Å; H343-L346 PolarHBondContact O-N 3.41Å; H343-N347 PolarHBondContact CE1-ND2 3.05Å; H343-N347 PolarHBondContact ND1-ND2 2.99Å; H343-N347 VanDerWaalsContact O-CB 3.28Å; H343-N347 WeakPolarHBondContact O-CB 3.5Å; H343-N347 PolarHBondContact O-N 3.36Å; H343-N347 PolarHBondContact O-ND2 2.68Å; H343-E351 IonicContact CD2-OE1 2.85Å; H343-E351 IonicContact CE1-OE1 2.99Å; H343-E351 IonicContact NE2-OE1 3.83Å; H343-E351 PolarHBondContact NE2-OE1 2.99Å; H343-Y796 HydrophobicContact CB-CD2 3.69Å; H343-Y796 HydrophobicContact CB-CE2 3.61Å; H343-Y796 HydrophobicContact CB-CG 4.23Å; H343-Y796 AromaticContact CD2-CG 3.96Å; H343-Y796 AromaticContact CE1-CG 3.83Å; H343-Y796 AromaticContact CG-CD2 3.5Å; H343-Y796 AromaticContact CG-CE2 3.97Å; H343-Y796 AromaticContact CG-CG 3.66Å; H343-Y796 AromaticContact ND1-CD2 3.41Å; H343-Y796 WeakPolarHBondContact ND1-CD2 3.33Å; H343-Y796 AromaticContact ND1-CG 3.61Å
344	I	97	Very high	95.9	Very high	36 Å²	36	50.9 Å²	50.9	19%	0.185	26%	0.263	C	S	.	.	H	α-helix	trans	-59.1	-49.3	176.6	-65.6	-60.9	0	0	0	110.7	F340 M342 L346 N347 E348	F340-I344 HydrophobicContact CD1-CG1 4.3Å; F340-I344 HydrophobicContact CD2-CG1 4.48Å; F340-I344 HydrophobicContact CE1-CD1 4.27Å; F340-I344 HydrophobicContact CE1-CG1 3.93Å; F340-I344 HydrophobicContact CE2-CD1 3.96Å; F340-I344 HydrophobicContact CE2-CG1 4.14Å; F340-I344 HydrophobicContact CZ-CD1 3.72Å; F340-I344 HydrophobicContact CZ-CG1 3.86Å; F340-I344 WeakPolarHBondContact O-CG1 3.44Å; F340-I344 PolarHBondContact O-N 3.14Å; M342-I344 PolarHBondContact O-N 2.68Å; I344-L346 PolarHBondContact O-N 3.24Å; I344-L346 VanDerWaalsContact O-N 3.14Å; I344-N347 PolarHBondContact O-N 3.23Å; I344-E348 HydrophobicContact CG2-CB 4.13Å; I344-E348 WeakPolarHBondContact O-CB 3.49Å; I344-E348 PolarHBondContact O-N 2.91Å
345	L	96.6	Very high	95.8	Very high	128 Å²	128	49.7 Å²	49.7	67%	0.67	26%	0.257	S	S	*	.	H	α-helix	trans	-57.3	-30.1	178.6	-71.8	171.5	0	0	0	114	Q341 M342	Q341-L345 WeakPolarHBondContact O-CG 3.37Å; Q341-L345 PolarHBondContact O-N 3.23Å; Q341-L345 VanDerWaalsContact O-N 3.17Å; M342-L345 PolarHBondContact O-N 2.72Å
346	L	96.6	Very high	95.7	Very high	62 Å²	62	55.3 Å²	55.3	33%	0.325	28%	0.282	S	S	.	.	H	α-helix	trans	-95.2	-27.1	-178.4	-60.1	179.4	0	0	0	113.8	Q168 V170 M342 H343 I344	Q168-L346 HydrophobicContact CB-CB 4.07Å; Q168-L346 HydrophobicContact CB-CD1 4.29Å; V170-L346 HydrophobicContact CG2-CD1 3.64Å; M342-L346 HydrophobicContact CG-CD1 4.09Å; M342-L346 HydrophobicContact CG-CG 4.47Å; M342-L346 WeakPolarHBondContact O-CG 3.47Å; M342-L346 PolarHBondContact O-N 3.46Å; M342-L346 VanDerWaalsContact O-N 3.13Å; M342-L346 HydrophobicContact SD-CD1 4.42Å; M342-L346 HydrophobicContact SD-CG 4.41Å; H343-L346 PolarHBondContact O-N 3.41Å; I344-L346 PolarHBondContact O-N 3.24Å; I344-L346 VanDerWaalsContact O-N 3.14Å
347	N	96.8	Very high	95.5	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-128.4	-10	-164.3	-59.5	-56.5	0	0	0	115.9	Y167 Q168 H343 I344 M349 K350 E351 I792	Y167-N347 WeakPolarHBondContact CB-OD1 3.45Å; Q168-N347 PolarHBondContact N-OD1 2.9Å; Q168-N347 PolarHBondContact O-ND2 3.31Å; H343-N347 PolarHBondContact CE1-ND2 3.05Å; H343-N347 PolarHBondContact ND1-ND2 2.99Å; H343-N347 VanDerWaalsContact O-CB 3.28Å; H343-N347 WeakPolarHBondContact O-CB 3.5Å; H343-N347 PolarHBondContact O-N 3.36Å; H343-N347 PolarHBondContact O-ND2 2.68Å; I344-N347 PolarHBondContact O-N 3.23Å; N347-M349 VanDerWaalsContact C-N 3.26Å; N347-M349 PolarHBondContact O-N 3Å; N347-K350 WeakPolarHBondContact O-CA 3.38Å; N347-K350 WeakPolarHBondContact O-CB 3.41Å; N347-K350 PolarHBondContact O-N 2.79Å; N347-E351 PolarHBondContact O-N 3.43Å; N347-I792 HydrophobicContact CB-CG2 4.29Å
348	E	95	Very high	95.3	Very high	94 Å²	94	59.9 Å²	59.9	44%	0.439	30%	0.3	S	S	.	.	H	α-helix	trans	-52.6	-42.8	-178.1	-179.8	-179.5	-152.6	0	0	112.6	I344 K350 E351 L352	I344-E348 HydrophobicContact CG2-CB 4.13Å; I344-E348 WeakPolarHBondContact O-CB 3.49Å; I344-E348 PolarHBondContact O-N 2.91Å; E348-K350 VanDerWaalsContact C-N 3.28Å; E348-K350 PolarHBondContact O-N 3.06Å; E348-E351 PolarHBondContact O-N 2.86Å; E348-L352 WeakPolarHBondContact O-CB 3.38Å; E348-L352 PolarHBondContact O-N 3.05Å
349	M	94.9	Very high	94.9	Very high	146 Å²	146	61.1 Å²	61.1	72%	0.719	31%	0.307	S	S	*	.	H	α-helix	trans	-65.7	-29.1	178.2	-67.9	-60.4	-65.1	0	0	113.1	N347 A353	N347-M349 VanDerWaalsContact C-N 3.26Å; N347-M349 PolarHBondContact O-N 3Å; M349-A353 VanDerWaalsContact O-CB 3.32Å; M349-A353 WeakPolarHBondContact O-CB 3.38Å; M349-A353 PolarHBondContact O-N 3.31Å; M349-A353 VanDerWaalsContact O-N 3.08Å
350	K	95.6	Very high	94.4	Very high	70 Å²	70	68.7 Å²	68.7	30%	0.304	34%	0.342	S	S	.	.	H	α-helix	trans	-76.3	-43.7	173.3	-67.5	-173.5	164.6	-166.6	0	111.3	E166 N347 E348 L352 A353 A354 I792	E166-K350 PolarHBondContact O-NZ 3.41Å; N347-K350 WeakPolarHBondContact O-CA 3.38Å; N347-K350 WeakPolarHBondContact O-CB 3.41Å; N347-K350 PolarHBondContact O-N 2.79Å; E348-K350 VanDerWaalsContact C-N 3.28Å; E348-K350 PolarHBondContact O-N 3.06Å; K350-L352 VanDerWaalsContact C-N 3.31Å; K350-L352 PolarHBondContact O-N 2.67Å; K350-A353 PolarHBondContact O-N 2.75Å; K350-A354 WeakPolarHBondContact O-CB 3.33Å; K350-A354 PolarHBondContact O-N 3.18Å; K350-I792 HydrophobicContact CB-CD1 3.69Å
351	E	96.2	Very high	94	Very high	2 Å²	2	70.1 Å²	70.1	1%	0.009	35%	0.347	C	S	.	.	H	α-helix	trans	-56.3	-46.7	173.5	-70.2	-176.6	158.3	0	0	110.9	H343 N347 E348 A353 A354 Q355 P790 I792 R793	H343-E351 IonicContact CD2-OE1 2.85Å; H343-E351 IonicContact CE1-OE1 2.99Å; H343-E351 IonicContact NE2-OE1 3.83Å; H343-E351 PolarHBondContact NE2-OE1 2.99Å; N347-E351 PolarHBondContact O-N 3.43Å; E348-E351 PolarHBondContact O-N 2.86Å; E351-A353 PolarHBondContact O-N 3.1Å; E351-A354 PolarHBondContact O-N 2.78Å; E351-Q355 PolarHBondContact O-N 3.36Å; E351-P790 HydrophobicContact CB-CB 4.32Å; E351-P790 HydrophobicContact CB-CG 3.99Å; E351-P790 HydrophobicContact CG-CB 4.31Å; E351-P790 HydrophobicContact CG-CG 4.45Å; E351-P790 VanDerWaalsContact O-CG 3.26Å; E351-P790 WeakPolarHBondContact O-CG 3.19Å; E351-I792 HydrophobicContact CG-CB 4.14Å; E351-I792 HydrophobicContact CG-CG2 3.75Å; E351-R793 IonicContact OE1-CZ 2.64Å; E351-R793 IonicContact OE1-NE 3.05Å; E351-R793 PolarHBondContact OE1-NE 3.46Å; E351-R793 IonicContact OE1-NH2 3.22Å; E351-R793 IonicContact OE2-CZ 3.65Å; E351-R793 IonicContact OE2-NE 2.67Å; E351-R793 PolarHBondContact OE2-NE 3.12Å; E351-R793 IonicContact OE2-NH2 3.89Å; E351-R793 PolarHBondContact OE2-NH2 3.29Å
352	L	94.4	Very high	93.8	Very high	63 Å²	63	67.4 Å²	67.4	33%	0.33	34%	0.336	S	S	.	.	H	α-helix	trans	-64.6	-38.4	176.1	-177.9	62.7	0	0	0	112.9	E348 K350 K356	E348-L352 WeakPolarHBondContact O-CB 3.38Å; E348-L352 PolarHBondContact O-N 3.05Å; K350-L352 VanDerWaalsContact C-N 3.31Å; K350-L352 PolarHBondContact O-N 2.67Å; L352-K356 HydrophobicContact CG-CD 4.34Å; L352-K356 VanDerWaalsContact O-CG 3.31Å; L352-K356 WeakPolarHBondContact O-CG 3.39Å; L352-K356 PolarHBondContact O-N 3.47Å; L352-K356 VanDerWaalsContact O-N 3.12Å
353	A	94.4	Very high	93.7	Very high	37 Å²	37	63.9 Å²	63.9	31%	0.306	32%	0.319	S	S	.	.	H	α-helix	trans	-66	-40.4	175.2	0	0	0	0	0	111.6	M349 K350 E351 K356 K357	M349-A353 VanDerWaalsContact O-CB 3.32Å; M349-A353 WeakPolarHBondContact O-CB 3.38Å; M349-A353 PolarHBondContact O-N 3.31Å; M349-A353 VanDerWaalsContact O-N 3.08Å; K350-A353 PolarHBondContact O-N 2.75Å; E351-A353 PolarHBondContact O-N 3.1Å; A353-K356 PolarHBondContact O-N 3.26Å; A353-K357 WeakPolarHBondContact O-CG 3.43Å; A353-K357 PolarHBondContact O-N 2.64Å; A353-K357 VanDerWaalsContact O-N 3.1Å
354	A	94.1	Very high	93.5	Very high	9 Å²	9	71.6 Å²	71.6	7%	0.074	35%	0.349	C	S	.	.	H	α-helix	trans	-61.8	-47.1	175.7	0	0	0	0	0	111.8	K350 E351 K356 K357 I784 P790	K350-A354 WeakPolarHBondContact O-CB 3.33Å; K350-A354 PolarHBondContact O-N 3.18Å; E351-A354 PolarHBondContact O-N 2.78Å; A354-K356 VanDerWaalsContact C-N 3.34Å; A354-K356 PolarHBondContact O-N 2.87Å; A354-K357 PolarHBondContact O-N 3.35Å; A354-I784 HydrophobicContact CB-CD1 4.31Å; A354-P790 HydrophobicContact CB-CB 4.02Å; A354-P790 HydrophobicContact CB-CG 4.26Å
355	Q	94.4	Very high	93.3	Very high	12 Å²	12	70.9 Å²	70.9	6%	0.056	35%	0.345	C	S	.	.	H	α-helix	trans	-57.5	-45.8	174.1	-66.5	-168.9	-53.2	0	0	111.6	E351 K357 V358 S745 N788 P790	E351-Q355 PolarHBondContact O-N 3.36Å; Q355-K357 PolarHBondContact O-N 3.14Å; Q355-V358 PolarHBondContact O-N 2.98Å; Q355-V358 VanDerWaalsContact O-N 3.09Å; Q355-S745 PolarHBondContact NE2-O 3.23Å; Q355-S745 PolarHBondContact OE1-OG 3.49Å; Q355-N788 PolarHBondContact NE2-ND2 2.85Å; Q355-N788 PolarHBondContact NE2-O 3.46Å; Q355-P790 HydrophobicContact CG-CG 3.64Å
356	K	92.6	Very high	93.2	Very high	160 Å²	160	65 Å²	65	70%	0.696	31%	0.314	S	S	*	.	H	α-helix	trans	-65.3	-21.2	179.9	-74.2	173.7	179	177.2	0	114.5	L352 A353 A354 V358	L352-K356 HydrophobicContact CG-CD 4.34Å; L352-K356 VanDerWaalsContact O-CG 3.31Å; L352-K356 WeakPolarHBondContact O-CG 3.39Å; L352-K356 PolarHBondContact O-N 3.47Å; L352-K356 VanDerWaalsContact O-N 3.12Å; A353-K356 PolarHBondContact O-N 3.26Å; A354-K356 VanDerWaalsContact C-N 3.34Å; A354-K356 PolarHBondContact O-N 2.87Å; K356-V358 VanDerWaalsContact C-N 3.31Å
357	K	92.6	Very high	93.2	Very high	106 Å²	106	62.9 Å²	62.9	46%	0.461	30%	0.302	S	S	.	.	H	α-helix	trans	-76.2	-17.7	174.8	-72.8	167.1	-173	174.1	0	112.7	E164 A353 A354 Q355 P359	E164-K357 IonicContact OE1-NZ 2.81Å; E164-K357 PolarHBondContact OE1-NZ 3.31Å; E164-K357 IonicContact OE2-NZ 3.45Å; E164-K357 PolarHBondContact OE2-NZ 3.47Å; A353-K357 WeakPolarHBondContact O-CG 3.43Å; A353-K357 PolarHBondContact O-N 2.64Å; A353-K357 VanDerWaalsContact O-N 3.1Å; A354-K357 PolarHBondContact O-N 3.35Å; Q355-K357 PolarHBondContact O-N 3.14Å; K357-P359 VanDerWaalsContact O-CD 3.3Å; K357-P359 WeakPolarHBondContact O-CD 3.37Å
358	V	91.9	Very high	93.2	Very high	11 Å²	11	63 Å²	63	7%	0.067	30%	0.302	C	S	.	.	S	Bend	trans	-87.9	110	-179.9	-171.1	0	0	0	0	109.7	Q355 K356 R361 I784 R785	Q355-V358 PolarHBondContact O-N 2.98Å; Q355-V358 VanDerWaalsContact O-N 3.09Å; K356-V358 VanDerWaalsContact C-N 3.31Å; V358-R361 HydrophobicContact CB-CB 4.29Å; V358-R361 HydrophobicContact CG1-CB 3.64Å; V358-R361 HydrophobicContact CG1-CG 3.75Å; V358-I784 HydrophobicContact CG2-CB 4.47Å; V358-I784 HydrophobicContact CG2-CD1 3.74Å; V358-I784 HydrophobicContact CG2-CG1 3.87Å; V358-I784 HydrophobicContact CG2-CG2 3.93Å; V358-R785 HydrophobicContact CG1-CB 4.4Å; V358-R785 HydrophobicContact CG1-CG 4.32Å
359	P	86.9	Confident	93.3	Very high	93 Å²	93	58.5 Å²	58.5	60%	0.604	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	145.2	179.6	30.5	-35.4	0	0	0	110.7	K357 R361	K357-P359 VanDerWaalsContact O-CD 3.3Å; K357-P359 WeakPolarHBondContact O-CD 3.37Å; P359-R361 PolarHBondContact O-N 3.19Å
360	H	84.7	Confident	93.5	Very high	176 Å²	176	51.7 Å²	51.7	82%	0.815	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	20	175.2	-53.6	-69.7	0	0	0	115.9	N365	H360-N365 PolarHBondContact O-ND2 3.17Å; H360-N365 PolarHBondContact O-OD1 2.87Å
361	R	90.2	Very high	93.6	Very high	52 Å²	52	48.5 Å²	48.5	20%	0.196	24%	0.235	C	C	.	.			trans	-117.7	131.4	171.9	-75.1	-76.8	164.1	-113.9	-5.8	111.9	V358 P359 N365 R785 N788	V358-R361 HydrophobicContact CB-CB 4.29Å; V358-R361 HydrophobicContact CG1-CB 3.64Å; V358-R361 HydrophobicContact CG1-CG 3.75Å; P359-R361 PolarHBondContact O-N 3.19Å; R361-N365 WeakPolarHBondContact CA-OD1 3.43Å; R361-N365 WeakPolarHBondContact CD-OD1 3.39Å; R361-N365 PolarHBondContact NH1-O 2.87Å; R361-N365 VanDerWaalsContact NH1-O 3.1Å; R361-N365 PolarHBondContact NH1-OD1 3.22Å; R361-R785 VanDerWaalsContact CD-O 3.25Å; R361-R785 WeakPolarHBondContact CD-O 3.41Å; R361-R785 WeakPolarHBondContact CG-O 3.46Å; R361-R785 PolarHBondContact NE-O 2.89Å; R361-N788 HydrophobicContact CB-CB 4.43Å
362	D	92.2	Very high	93.7	Very high	66 Å²	66	48.4 Å²	48.4	35%	0.353	23%	0.234	S	C	.	.			trans	-157.4	175.9	176.8	63.7	53.3	0	0	0	109.9	Y364 N365 I366	D362-Y364 PolarHBondContact O-N 3.24Å; D362-Y364 VanDerWaalsContact O-N 3.16Å; D362-Y364 WeakPolarHBondContact OD1-CA 3.46Å; D362-Y364 VanDerWaalsContact OD1-CB 3.29Å; D362-Y364 WeakPolarHBondContact OD1-CB 3.26Å; D362-Y364 PolarHBondContact OD1-N 2.95Å; D362-N365 PolarHBondContact N-ND2 2.94Å; D362-N365 PolarHBondContact N-OD1 3.48Å; D362-N365 VanDerWaalsContact N-OD1 3.15Å; D362-N365 PolarHBondContact O-N 3.5Å; D362-N365 PolarHBondContact O-OD1 3.03Å; D362-N365 PolarHBondContact OD1-N 3.08Å; D362-N365 PolarHBondContact OD1-ND2 3.29Å; D362-N365 VanDerWaalsContact OD1-ND2 3.17Å; D362-N365 PolarHBondContact OD2-ND2 3.33Å; D362-I366 PolarHBondContact O-N 3.07Å
363	F	94.7	Very high	93.9	Very high	13 Å²	13	45.8 Å²	45.8	6%	0.057	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-28	-178.7	174	-108.4	0	0	0	114.9	I366 K368 M731 Y734 M748	F363-I366 HydrophobicContact CD2-CD1 4.3Å; F363-I366 WeakPolarHBondContact O-CG1 3.39Å; F363-K368 HydrophobicContact CZ-CD 4.47Å; F363-K368 PolarHBondContact O-NZ 2.55Å; F363-M731 HydrophobicContact CD1-CE 4.28Å; F363-M731 HydrophobicContact CE1-CE 3.57Å; F363-M731 HydrophobicContact CE1-SD 4.27Å; F363-M731 HydrophobicContact CZ-CE 4.29Å; F363-M731 HydrophobicContact CZ-SD 4.42Å; F363-Y734 AromaticContact CE2-CD1 3.54Å; F363-Y734 HydrophobicContact CE2-CD1 3.54Å; F363-Y734 AromaticContact CE2-CE1 3.79Å; F363-Y734 HydrophobicContact CE2-CE1 3.79Å; F363-Y734 HydrophobicContact CE2-CG 4.17Å; F363-Y734 AromaticContact CZ-CD1 3.36Å; F363-Y734 HydrophobicContact CZ-CD1 3.36Å; F363-Y734 HydrophobicContact CZ-CD2 4.3Å; F363-Y734 HydrophobicContact CZ-CE1 4.02Å; F363-Y734 AromaticContact CZ-CG 3.53Å; F363-Y734 HydrophobicContact CZ-CG 3.53Å; F363-M748 HydrophobicContact CB-CE 4.49Å; F363-M748 HydrophobicContact CD1-CE 4.3Å; F363-M748 HydrophobicContact CD1-SD 4.28Å; F363-M748 HydrophobicContact CD2-CB 3.58Å; F363-M748 HydrophobicContact CE1-SD 4.23Å; F363-M748 HydrophobicContact CE2-CB 3.66Å; F363-M748 HydrophobicContact CG-CB 4.24Å; F363-M748 HydrophobicContact CG-CE 4.2Å; F363-M748 HydrophobicContact CG-SD 4.43Å; F363-M748 HydrophobicContact CZ-CB 4.37Å; F363-M748 HydrophobicContact CZ-SD 4.36Å
364	Y	91.7	Very high	94	Very high	167 Å²	167	44.6 Å²	44.6	66%	0.655	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-26.8	-178.8	-61.8	-81.3	0	0	0	112.9	D362 M731	D362-Y364 PolarHBondContact O-N 3.24Å; D362-Y364 VanDerWaalsContact O-N 3.16Å; D362-Y364 WeakPolarHBondContact OD1-CA 3.46Å; D362-Y364 VanDerWaalsContact OD1-CB 3.29Å; D362-Y364 WeakPolarHBondContact OD1-CB 3.26Å; D362-Y364 PolarHBondContact OD1-N 2.95Å; Y364-M731 HydrophobicContact CD1-CE 3.71Å; Y364-M731 HydrophobicContact CE1-CE 3.85Å
365	N	92.6	Very high	94.2	Very high	22 Å²	22	44.2 Å²	44.2	12%	0.118	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	11.1	-174	69.5	53.3	0	0	0	114.4	H360 R361 D362 Y488	H360-N365 PolarHBondContact O-ND2 3.17Å; H360-N365 PolarHBondContact O-OD1 2.87Å; R361-N365 WeakPolarHBondContact CA-OD1 3.43Å; R361-N365 WeakPolarHBondContact CD-OD1 3.39Å; R361-N365 PolarHBondContact NH1-O 2.87Å; R361-N365 VanDerWaalsContact NH1-O 3.1Å; R361-N365 PolarHBondContact NH1-OD1 3.22Å; D362-N365 PolarHBondContact N-ND2 2.94Å; D362-N365 PolarHBondContact N-OD1 3.48Å; D362-N365 VanDerWaalsContact N-OD1 3.15Å; D362-N365 PolarHBondContact O-N 3.5Å; D362-N365 PolarHBondContact O-OD1 3.03Å; D362-N365 PolarHBondContact OD1-N 3.08Å; D362-N365 PolarHBondContact OD1-ND2 3.29Å; D362-N365 VanDerWaalsContact OD1-ND2 3.17Å; D362-N365 PolarHBondContact OD2-ND2 3.33Å; N365-Y488 HydrophobicContact CB-CD2 4.43Å; N365-Y488 HydrophobicContact CB-CE1 4.3Å; N365-Y488 HydrophobicContact CB-CE2 3.87Å; N365-Y488 VanDerWaalsContact O-CD1 3.24Å; N365-Y488 WeakPolarHBondContact O-CD1 3.4Å; N365-Y488 WeakPolarHBondContact O-CE1 3.43Å
366	I	95.1	Very high	94.2	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.015	21%	0.209	C	C	.	.	S	Bend	trans	-93.7	148.2	164.1	61.5	165.4	0	0	0	111.8	D362 F363 K368 C749 A752 R786 N788	D362-I366 PolarHBondContact O-N 3.07Å; F363-I366 HydrophobicContact CD2-CD1 4.3Å; F363-I366 WeakPolarHBondContact O-CG1 3.39Å; I366-K368 PolarHBondContact O-NZ 3.48Å; I366-C749 HydrophobicContact CD1-CB 3.7Å; I366-C749 VanDerWaalsContact CD1-SG 3.51Å; I366-A752 HydrophobicContact CD1-CB 3.63Å; I366-A752 HydrophobicContact CG1-CB 4.41Å; I366-R786 WeakPolarHBondContact CG2-O 3.15Å; I366-N788 HydrophobicContact CG2-CB 3.64Å
367	R	95.6	Very high	94.3	Very high	18 Å²	18	36.9 Å²	36.9	7%	0.068	18%	0.176	C	C	.	.			trans	-67.2	137.9	179.2	-70.8	-82.4	167.7	-172.8	-14.8	111.3	H252 K487 N490 V756 W769	H252-R367 PolarHBondContact ND1-NH2 3.33Å; H252-R367 VanDerWaalsContact ND1-NH2 3.2Å; R367-K487 PolarHBondContact NH1-O 3.19Å; R367-K487 PolarHBondContact NH2-O 3.21Å; R367-N490 PolarHBondContact NH1-OD1 3.41Å; R367-V756 HydrophobicContact CB-CG2 4.07Å; R367-W769 HydrophobicContact CB-CB 4.03Å; R367-W769 HydrophobicContact CB-CD2 4.35Å; R367-W769 HydrophobicContact CB-CG 4.08Å; R367-W769 HydrophobicContact CG-CB 3.81Å; R367-W769 HydrophobicContact CG-CD2 4.05Å; R367-W769 HydrophobicContact CG-CG 3.54Å
368	K	96.8	Very high	94.4	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.009	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	140.8	174.3	51.3	-179.1	61.5	64.3	0	110.4	F363 I366 Y488 Q489 N490 L730 M731 Y734 A752	F363-K368 HydrophobicContact CZ-CD 4.47Å; F363-K368 PolarHBondContact O-NZ 2.55Å; I366-K368 PolarHBondContact O-NZ 3.48Å; K368-Y488 PolarHBondContact N-O 3.1Å; K368-Y488 VanDerWaalsContact N-O 3.11Å; K368-Q489 HydrophobicContact CG-CG 4.32Å; K368-N490 PolarHBondContact O-N 3.24Å; K368-L730 HydrophobicContact CB-CD2 4.45Å; K368-L730 HydrophobicContact CD-CD2 4.12Å; K368-L730 HydrophobicContact CG-CD2 4.11Å; K368-M731 HydrophobicContact CD-SD 3.89Å; K368-Y734 HydrophobicContact CD-CD2 4.48Å; K368-Y734 HydrophobicContact CD-CE2 4.17Å; K368-A752 HydrophobicContact CB-CB 3.97Å
369	V	98.4	Very high	94.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	129.9	-177.8	-176.1	0	0	0	0	108.6	T371 N490 E492 S755 V756 F761 W769	V369-T371 HydrophobicContact CB-CG2 4.18Å; V369-T371 HydrophobicContact CG1-CG2 3.99Å; V369-T371 PolarHBondContact O-N 2.91Å; V369-T371 VanDerWaalsContact O-N 3.17Å; V369-N490 CarbonylContact C-O 3.51Å; V369-N490 VanDerWaalsContact CA-O 3.31Å; V369-N490 WeakPolarHBondContact CA-O 3.28Å; V369-N490 HydrophobicContact CB-CB 4.47Å; V369-N490 HydrophobicContact CG2-CB 3.95Å; V369-E492 HydrophobicContact CG1-CG 3.88Å; V369-S755 PolarHBondContact N-OG 2.77Å; V369-S755 VanDerWaalsContact O-CB 3.29Å; V369-S755 WeakPolarHBondContact O-CB 3.16Å; V369-S755 PolarHBondContact O-OG 3.2Å; V369-V756 HydrophobicContact CG2-CG2 4.09Å; V369-F761 HydrophobicContact CG1-CD2 4.44Å; V369-F761 HydrophobicContact CG1-CE2 3.91Å; V369-F761 HydrophobicContact CG2-CD2 4.13Å; V369-F761 HydrophobicContact CG2-CE2 4.07Å; V369-W769 HydrophobicContact CG2-CZ3 4.39Å
370	D	98.5	Very high	94.8	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.016	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	98.3	160.7	-163.9	-19	0	0	0	108.6	H372 I373 N490 V491 E492 S716 T717 L730	D370-H372 VanDerWaalsContact C-N 3.29Å; D370-H372 PolarHBondContact OD1-N 2.86Å; D370-H372 VanDerWaalsContact OD1-O 3.1Å; D370-I373 HydrophobicContact CB-CG2 4.1Å; D370-N490 PolarHBondContact N-O 3.18Å; D370-V491 HydrophobicContact CB-CB 4.3Å; D370-V491 HydrophobicContact CB-CG1 3.88Å; D370-E492 PolarHBondContact O-N 2.82Å; D370-S716 VanDerWaalsContact OD1-CA 3.24Å; D370-S716 WeakPolarHBondContact OD1-CA 3.29Å; D370-S716 WeakPolarHBondContact OD1-CB 3.37Å; D370-T717 PolarHBondContact OD1-N 3.4Å; D370-T717 VanDerWaalsContact OD2-CB 3.27Å; D370-T717 WeakPolarHBondContact OD2-CB 3.32Å; D370-T717 WeakPolarHBondContact OD2-CG2 3.38Å; D370-T717 PolarHBondContact OD2-N 2.82Å; D370-T717 PolarHBondContact OD2-OG1 3.18Å; D370-L730 HydrophobicContact CB-CD1 4.15Å; D370-L730 HydrophobicContact CB-CD2 4.17Å
371	T	97.7	Very high	95.2	Very high	4 Å²	4	20.5 Å²	20.5	3%	0.025	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	-11.7	-177.3	47.5	0	0	0	0	113	V369 R494 A685 S714 S755 M758	V369-T371 HydrophobicContact CB-CG2 4.18Å; V369-T371 HydrophobicContact CG1-CG2 3.99Å; V369-T371 PolarHBondContact O-N 2.91Å; V369-T371 VanDerWaalsContact O-N 3.17Å; T371-R494 PolarHBondContact O-NH1 2.94Å; T371-R494 PolarHBondContact O-NH2 3.35Å; T371-R494 VanDerWaalsContact O-NH2 3.11Å; T371-A685 WeakPolarHBondContact OG1-CB 3.35Å; T371-S714 PolarHBondContact OG1-OG 3.47Å; T371-S755 WeakPolarHBondContact CG2-O 3.25Å; T371-M758 HydrophobicContact CG2-CG 3.8Å; T371-M758 HydrophobicContact CG2-SD 4.17Å
372	H	98.3	Very high	95.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	99.3	174.8	-172.7	-150	0	0	0	113.6	D370 H374 R494 H641 S662 H663 A685 S716 T717 D718	D370-H372 VanDerWaalsContact C-N 3.29Å; D370-H372 PolarHBondContact OD1-N 2.86Å; D370-H372 VanDerWaalsContact OD1-O 3.1Å; H372-H374 AromaticContact NE2-CE1 3.83Å; H372-H374 AromaticContact NE2-NE2 3.78Å; H372-R494 PolarHBondContact CD2-NE 2.79Å; H372-R494 PolarHBondContact CD2-NH2 3.08Å; H372-H641 AromaticContact CE1-CE1 3.45Å; H372-H641 PolarHBondContact CE1-CE1 3.31Å; H372-H641 VanDerWaalsContact CE1-CE1 3.45Å; H372-H641 AromaticContact CE1-NE2 3.29Å; H372-H641 PolarHBondContact CE1-NE2 2.97Å; H372-H641 VanDerWaalsContact CE1-NE2 3.29Å; H372-H641 AromaticContact NE2-CE1 3Å; H372-H641 PolarHBondContact NE2-CE1 3.27Å; H372-H641 AromaticContact NE2-NE2 3.2Å; H372-H641 PolarHBondContact NE2-NE2 2.85Å; H372-S662 PolarHBondContact ND1-OG 3.49Å; H372-H663 AromaticContact CE1-CE1 3.67Å; H372-H663 AromaticContact CE1-NE2 3.25Å; H372-H663 PolarHBondContact CE1-NE2 3.06Å; H372-H663 VanDerWaalsContact CE1-NE2 3.25Å; H372-H663 AromaticContact ND1-CE1 3.95Å; H372-H663 AromaticContact ND1-NE2 3.69Å; H372-A685 HydrophobicContact CB-CB 3.85Å; H372-S716 WeakPolarHBondContact CB-OG 3.4Å; H372-S716 WeakPolarHBondContact O-CB 3.32Å; H372-T717 PolarHBondContact O-N 2.73Å; H372-D718 IonicContact CE1-OD1 3.09Å; H372-D718 PolarHBondContact CE1-OD1 3.45Å; H372-D718 IonicContact ND1-OD1 3.05Å; H372-D718 IonicContact NE2-OD1 3.49Å; H372-D718 WeakPolarHBondContact O-CA 3.09Å; H372-D718 PolarHBondContact O-N 3.3Å
373	I	97.9	Very high	95.5	Very high	7 Å²	7	23 Å²	23	4%	0.036	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	131.9	179	177.6	171.3	0	0	0	111.4	D370 C378 V491 L493 R494 D718 P720	D370-I373 HydrophobicContact CB-CG2 4.1Å; I373-C378 HydrophobicContact CD1-CB 3.6Å; I373-C378 HydrophobicContact CG1-CB 3.91Å; I373-V491 HydrophobicContact CG2-CB 4.19Å; I373-L493 HydrophobicContact CB-CD2 4.48Å; I373-L493 HydrophobicContact CD1-CD2 3.91Å; I373-L493 HydrophobicContact CG1-CD2 3.91Å; I373-L493 HydrophobicContact CG2-CD2 3.9Å; I373-R494 PolarHBondContact O-N 3.13Å; I373-D718 WeakPolarHBondContact CA-O 3.4Å; I373-P720 HydrophobicContact CD1-CG 3.92Å; I373-P720 HydrophobicContact CG1-CG 4.35Å
374	H	97.8	Very high	95.5	Very high	12 Å²	12	22.4 Å²	22.4	6%	0.056	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	131.2	176.6	-67.8	-61.7	0	0	0	111.4	H372 S376 S377 C378 Q527 H641 D718 D719	H372-H374 AromaticContact NE2-CE1 3.83Å; H372-H374 AromaticContact NE2-NE2 3.78Å; H374-S376 VanDerWaalsContact C-N 3.27Å; H374-S376 PolarHBondContact O-N 3.23Å; H374-S377 WeakPolarHBondContact CB-OG 3.27Å; H374-S377 PolarHBondContact O-N 3.24Å; H374-S377 VanDerWaalsContact O-N 3.15Å; H374-S377 PolarHBondContact O-OG 3.28Å; H374-C378 PolarHBondContact O-N 2.94Å; H374-C378 VanDerWaalsContact O-N 3.13Å; H374-Q527 PolarHBondContact CE1-OE1 3.35Å; H374-Q527 PolarHBondContact ND1-OE1 2.96Å; H374-H641 AromaticContact CE1-CE1 3.61Å; H374-H641 AromaticContact CE1-NE2 3.43Å; H374-H641 PolarHBondContact CE1-NE2 3.09Å; H374-H641 AromaticContact NE2-NE2 3.44Å; H374-H641 PolarHBondContact NE2-NE2 3.42Å; H374-D718 IonicContact CD2-OD1 2.71Å; H374-D718 PolarHBondContact CD2-OD1 2.79Å; H374-D718 PolarHBondContact N-O 3.29Å; H374-D718 IonicContact NE2-OD1 3.31Å; H374-D718 PolarHBondContact NE2-OD1 3.2Å; H374-D719 IonicContact CD2-OD1 2.77Å; H374-D719 IonicContact CD2-OD2 3.61Å
375	A	97	Very high	95.6	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.008	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-62.4	-32.7	-175.7	0	0	0	0	0	113.1	S377 C378 F472 L493 R494 L495 W524	A375-S377 PolarHBondContact O-N 3.04Å; A375-C378 PolarHBondContact O-SG 2.89Å; A375-F472 HydrophobicContact CB-CZ 4.13Å; A375-F472 WeakPolarHBondContact O-CE2 3.24Å; A375-F472 WeakPolarHBondContact O-CZ 3.42Å; A375-L493 HydrophobicContact CB-CB 4.21Å; A375-R494 WeakPolarHBondContact CB-O 3.19Å; A375-R494 PolarHBondContact N-O 3.18Å; A375-L495 HydrophobicContact CB-CD2 3.71Å; A375-L495 HydrophobicContact CB-CG 4.18Å; A375-W524 HydrophobicContact CB-CZ3 4.33Å
376	S	94.1	Very high	95.7	Very high	19 Å²	19	20.5 Å²	20.5	13%	0.133	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-67.8	-12.3	179.5	43.2	0	0	0	0	114.8	H374 I461	H374-S376 VanDerWaalsContact C-N 3.27Å; H374-S376 PolarHBondContact O-N 3.23Å; S376-I461 WeakPolarHBondContact O-CG2 3.37Å
377	S	94.4	Very high	95.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-135	8.7	-171.7	43.7	0	0	0	0	112.4	H374 A375 M379 D719 P720 L721	H374-S377 WeakPolarHBondContact CB-OG 3.27Å; H374-S377 PolarHBondContact O-N 3.24Å; H374-S377 VanDerWaalsContact O-N 3.15Å; H374-S377 PolarHBondContact O-OG 3.28Å; A375-S377 PolarHBondContact O-N 3.04Å; S377-M379 PolarHBondContact O-N 2.5Å; S377-D719 WeakPolarHBondContact CB-OD1 3.36Å; S377-D719 PolarHBondContact OG-OD1 3.3Å; S377-P720 WeakPolarHBondContact O-CB 3.31Å; S377-P720 VanDerWaalsContact O-CD 3.27Å; S377-P720 WeakPolarHBondContact O-CD 3.3Å; S377-L721 WeakPolarHBondContact O-CB 3.39Å; S377-L721 PolarHBondContact O-N 3.22Å
378	C	95.7	Very high	95.7	Very high	6 Å²	6	20 Å²	20	4%	0.041	9%	0.09	C	C	.	.			trans	-67.1	-3	-176	66.7	0	0	0	0	115.8	I373 H374 A375 I476 L493	I373-C378 HydrophobicContact CD1-CB 3.6Å; I373-C378 HydrophobicContact CG1-CB 3.91Å; H374-C378 PolarHBondContact O-N 2.94Å; H374-C378 VanDerWaalsContact O-N 3.13Å; A375-C378 PolarHBondContact O-SG 2.89Å; C378-I476 WeakPolarHBondContact SG-CD1 3.46Å; C378-L493 HydrophobicContact CB-CD2 3.57Å
379	M	94.8	Very high	95.6	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.02	10%	0.101	C	C	.	.	S	Bend	trans	-117.6	142.5	177.3	66.5	-72.6	177.6	0	0	111.3	S377 H383 L384 I461 I475 V479 L721	S377-M379 PolarHBondContact O-N 2.5Å; M379-H383 HydrophobicContact CB-CB 4.23Å; M379-L384 HydrophobicContact CE-CB 4.32Å; M379-L384 HydrophobicContact CE-CD1 3.99Å; M379-L384 HydrophobicContact CE-CD2 4.15Å; M379-L384 HydrophobicContact CE-CG 4.37Å; M379-L384 HydrophobicContact CG-CB 4.35Å; M379-I461 HydrophobicContact CE-CD1 4.4Å; M379-I461 HydrophobicContact CE-CG2 4.49Å; M379-I475 HydrophobicContact CB-CG2 4.39Å; M379-I475 HydrophobicContact CE-CG2 4.12Å; M379-I475 HydrophobicContact CG-CG2 3.82Å; M379-I475 HydrophobicContact SD-CG2 3.71Å; M379-V479 HydrophobicContact CB-CG2 3.87Å; M379-L721 HydrophobicContact CE-CD2 4.14Å; M379-L721 VanDerWaalsContact O-CA 3.29Å; M379-L721 WeakPolarHBondContact O-CA 3.44Å; M379-L721 WeakPolarHBondContact O-CB 3.43Å; M379-L721 WeakPolarHBondContact O-CD1 3.47Å; M379-L721 PolarHBondContact O-N 3.08Å
380	N	93.2	Very high	95.4	Very high	18 Å²	18	27.5 Å²	27.5	10%	0.096	12%	0.119	C	C	.	.			trans	-67.5	162.9	174.2	70.7	47	0	0	0	112.6	K382 H383 L384 T726	N380-K382 VanDerWaalsContact C-N 3.28Å; N380-K382 PolarHBondContact O-N 2.89Å; N380-K382 WeakPolarHBondContact OD1-CB 3.37Å; N380-K382 PolarHBondContact OD1-N 2.64Å; N380-K382 VanDerWaalsContact OD1-N 3.14Å; N380-H383 WeakPolarHBondContact O-CB 3.22Å; N380-H383 PolarHBondContact O-N 3.18Å; N380-H383 VanDerWaalsContact O-N 3.1Å; N380-H383 PolarHBondContact OD1-N 3.43Å; N380-L384 PolarHBondContact O-N 3.21Å; N380-L384 VanDerWaalsContact O-N 3.13Å; N380-T726 PolarHBondContact ND2-O 3.46Å
381	Q	92.1	Very high	95.2	Very high	14 Å²	14	27.5 Å²	27.5	7%	0.065	12%	0.12	C	C	.	.	H	α-helix	trans	-61.1	-34.7	-176.5	-61.4	175.4	4.4	0	0	113.4	H383 L384 L385 V426 M431 H432 L721	Q381-H383 VanDerWaalsContact C-N 3.32Å; Q381-H383 PolarHBondContact O-N 3.14Å; Q381-L384 PolarHBondContact O-N 3.33Å; Q381-L385 VanDerWaalsContact O-CB 3.22Å; Q381-L385 WeakPolarHBondContact O-CB 3.46Å; Q381-L385 PolarHBondContact O-N 3.07Å; Q381-V426 HydrophobicContact CB-CG1 3.93Å; Q381-M431 HydrophobicContact CG-CB 4.42Å; Q381-M431 PolarHBondContact NE2-O 2.89Å; Q381-H432 PolarHBondContact NE2-CD2 2.9Å; Q381-H432 VanDerWaalsContact NE2-CD2 3.34Å; Q381-L721 HydrophobicContact CB-CD1 4.3Å; Q381-L721 HydrophobicContact CG-CD1 3.7Å; Q381-L721 WeakPolarHBondContact CG-O 3.25Å; Q381-L721 PolarHBondContact NE2-O 2.8Å
382	K	93.4	Very high	94.9	Very high	160 Å²	160	28.5 Å²	28.5	70%	0.696	12%	0.124	S	C	*	.	H	α-helix	trans	-66.8	-35.3	178.7	-174.8	178.3	179.6	179.6	0	111.3	N380 R386	N380-K382 VanDerWaalsContact C-N 3.28Å; N380-K382 PolarHBondContact O-N 2.89Å; N380-K382 WeakPolarHBondContact OD1-CB 3.37Å; N380-K382 PolarHBondContact OD1-N 2.64Å; N380-K382 VanDerWaalsContact OD1-N 3.14Å; K382-R386 WeakPolarHBondContact O-CB 3.26Å; K382-R386 PolarHBondContact O-N 2.98Å
383	H	95.1	Very high	94.6	Very high	11 Å²	11	36.3 Å²	36.3	5%	0.051	16%	0.159	C	C	.	.	H	α-helix	trans	-67	-53.3	172.7	-166.7	156.4	0	0	0	110.5	M379 N380 Q381 L385 R386 F387 E478	M379-H383 HydrophobicContact CB-CB 4.23Å; N380-H383 WeakPolarHBondContact O-CB 3.22Å; N380-H383 PolarHBondContact O-N 3.18Å; N380-H383 VanDerWaalsContact O-N 3.1Å; N380-H383 PolarHBondContact OD1-N 3.43Å; Q381-H383 VanDerWaalsContact C-N 3.32Å; Q381-H383 PolarHBondContact O-N 3.14Å; H383-L385 VanDerWaalsContact C-N 3.35Å; H383-L385 PolarHBondContact O-N 2.78Å; H383-R386 PolarHBondContact CD2-NH2 2.88Å; H383-R386 VanDerWaalsContact CD2-NH2 3.32Å; H383-R386 PolarHBondContact NE2-NH2 2.92Å; H383-R386 WeakPolarHBondContact O-CB 3.11Å; H383-R386 PolarHBondContact O-N 3.32Å; H383-R386 VanDerWaalsContact O-N 3.15Å; H383-F387 PolarHBondContact O-N 3.47Å; H383-E478 IonicContact CD2-OE2 3.73Å; H383-E478 IonicContact CE1-OE2 3.69Å; H383-E478 WeakPolarHBondContact NE2-CB 3.3Å; H383-E478 IonicContact NE2-OE2 3.7Å; H383-E478 PolarHBondContact NE2-OE2 3.09Å
384	L	95.3	Very high	94.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-57	-47.1	178.9	177.3	59.3	0	0	0	111.7	M379 N380 Q381 R386 F387 I388 M431 I461 I475 L721	M379-L384 HydrophobicContact CE-CB 4.32Å; M379-L384 HydrophobicContact CE-CD1 3.99Å; M379-L384 HydrophobicContact CE-CD2 4.15Å; M379-L384 HydrophobicContact CE-CG 4.37Å; M379-L384 HydrophobicContact CG-CB 4.35Å; N380-L384 PolarHBondContact O-N 3.21Å; N380-L384 VanDerWaalsContact O-N 3.13Å; Q381-L384 PolarHBondContact O-N 3.33Å; L384-R386 PolarHBondContact O-N 2.96Å; L384-F387 WeakPolarHBondContact O-CB 3.21Å; L384-F387 PolarHBondContact O-N 3.46Å; L384-F387 VanDerWaalsContact O-N 3.12Å; L384-I388 HydrophobicContact CD1-CD1 3.87Å; L384-I388 HydrophobicContact CD1-CG1 4.08Å; L384-I388 HydrophobicContact CG-CD1 3.86Å; L384-I388 HydrophobicContact CG-CG1 4.46Å; L384-I388 WeakPolarHBondContact O-CG1 3.25Å; L384-I388 PolarHBondContact O-N 2.95Å; L384-M431 HydrophobicContact CD2-CE 4.34Å; L384-M431 HydrophobicContact CD2-SD 3.52Å; L384-M431 VanDerWaalsContact CD2-SD 3.52Å; L384-I461 HydrophobicContact CD2-CD1 3.92Å; L384-I475 HydrophobicContact CD1-CD1 3.99Å; L384-L721 HydrophobicContact CB-CD1 4.23Å; L384-L721 HydrophobicContact CD2-CD1 3.87Å; L384-L721 HydrophobicContact CD2-CD2 4.1Å
385	L	94.3	Very high	94.3	Very high	18 Å²	18	45.5 Å²	45.5	9%	0.094	20%	0.197	C	C	.	.	H	α-helix	trans	-57.1	-47.2	175.5	-177.4	63.7	0	0	0	112.3	Q381 H383 F387 I388 K389 L424 V426 L429	Q381-L385 VanDerWaalsContact O-CB 3.22Å; Q381-L385 WeakPolarHBondContact O-CB 3.46Å; Q381-L385 PolarHBondContact O-N 3.07Å; H383-L385 VanDerWaalsContact C-N 3.35Å; H383-L385 PolarHBondContact O-N 2.78Å; L385-F387 VanDerWaalsContact C-N 3.29Å; L385-F387 PolarHBondContact O-N 2.78Å; L385-I388 PolarHBondContact O-N 2.73Å; L385-K389 HydrophobicContact CD1-CG 4.42Å; L385-K389 HydrophobicContact CG-CD 4.49Å; L385-K389 WeakPolarHBondContact O-CB 3.43Å; L385-K389 WeakPolarHBondContact O-CG 3.37Å; L385-K389 PolarHBondContact O-N 2.79Å; L385-L424 HydrophobicContact CD1-CB 3.68Å; L385-V426 HydrophobicContact CD2-CG2 3.75Å; L385-L429 HydrophobicContact CB-CD1 3.78Å; L385-L429 HydrophobicContact CD1-CD1 4.05Å; L385-L429 HydrophobicContact CD1-CD2 4.4Å; L385-L429 HydrophobicContact CD1-CG 4.19Å; L385-L429 HydrophobicContact CG-CD1 4.45Å
386	R	94.9	Very high	94.1	Very high	131 Å²	131	47.4 Å²	47.4	49%	0.494	21%	0.209	S	C	.	.	H	α-helix	trans	-59.8	-40.8	176.2	176	-175.9	66.6	175.7	-1.9	110.9	K382 H383 L384 R390	K382-R386 WeakPolarHBondContact O-CB 3.26Å; K382-R386 PolarHBondContact O-N 2.98Å; H383-R386 PolarHBondContact CD2-NH2 2.88Å; H383-R386 VanDerWaalsContact CD2-NH2 3.32Å; H383-R386 PolarHBondContact NE2-NH2 2.92Å; H383-R386 WeakPolarHBondContact O-CB 3.11Å; H383-R386 PolarHBondContact O-N 3.32Å; H383-R386 VanDerWaalsContact O-N 3.15Å; L384-R386 PolarHBondContact O-N 2.96Å; R386-R390 VanDerWaalsContact O-CB 3.29Å; R386-R390 WeakPolarHBondContact O-CB 3.38Å; R386-R390 PolarHBondContact O-N 3.26Å; R386-R390 VanDerWaalsContact O-N 3.09Å
387	F	96	Very high	94.1	Very high	10 Å²	10	54.8 Å²	54.8	4%	0.044	24%	0.239	C	C	.	.	H	α-helix	trans	-63.7	-53	177	-170.1	-77.2	0	0	0	111.2	H383 L384 L385 K389 R390 A391 F460 Y471 H474 I475	H383-F387 PolarHBondContact O-N 3.47Å; L384-F387 WeakPolarHBondContact O-CB 3.21Å; L384-F387 PolarHBondContact O-N 3.46Å; L384-F387 VanDerWaalsContact O-N 3.12Å; L385-F387 VanDerWaalsContact C-N 3.29Å; L385-F387 PolarHBondContact O-N 2.78Å; F387-K389 PolarHBondContact O-N 3.04Å; F387-R390 PolarHBondContact O-N 3.05Å; F387-R390 VanDerWaalsContact O-N 3.13Å; F387-A391 HydrophobicContact CD1-CB 4.47Å; F387-A391 HydrophobicContact CE1-CB 4.27Å; F387-A391 WeakPolarHBondContact O-CB 3.28Å; F387-A391 PolarHBondContact O-N 2.94Å; F387-F460 HydrophobicContact CD1-CD1 4.06Å; F387-F460 HydrophobicContact CD1-CE1 4.16Å; F387-F460 HydrophobicContact CE1-CD1 4.1Å; F387-F460 HydrophobicContact CE1-CE1 4.17Å; F387-Y471 HydrophobicContact CE1-CD1 4.07Å; F387-Y471 HydrophobicContact CE1-CG 4.09Å; F387-Y471 HydrophobicContact CZ-CD1 4.25Å; F387-H474 HydrophobicContact CE2-CB 3.75Å; F387-H474 HydrophobicContact CZ-CB 3.72Å; F387-I475 HydrophobicContact CB-CG1 4.25Å; F387-I475 HydrophobicContact CD1-CD1 3.88Å; F387-I475 HydrophobicContact CD1-CG1 3.79Å; F387-I475 HydrophobicContact CD2-CB 4.46Å; F387-I475 HydrophobicContact CD2-CD1 4.35Å; F387-I475 HydrophobicContact CD2-CG1 3.38Å; F387-I475 HydrophobicContact CE1-CD1 4.16Å; F387-I475 HydrophobicContact CE1-CG1 3.98Å; F387-I475 HydrophobicContact CE2-CG1 3.59Å; F387-I475 HydrophobicContact CG-CD1 4.01Å; F387-I475 HydrophobicContact CG-CG1 3.52Å; F387-I475 HydrophobicContact CZ-CG1 3.9Å
388	I	94.6	Very high	94.1	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-56.2	-52.1	179.4	-67.6	169.3	0	0	0	110.3	L384 L385 R390 A391 M392 F414 L424 L429 F460	L384-I388 HydrophobicContact CD1-CD1 3.87Å; L384-I388 HydrophobicContact CD1-CG1 4.08Å; L384-I388 HydrophobicContact CG-CD1 3.86Å; L384-I388 HydrophobicContact CG-CG1 4.46Å; L384-I388 WeakPolarHBondContact O-CG1 3.25Å; L384-I388 PolarHBondContact O-N 2.95Å; L385-I388 PolarHBondContact O-N 2.73Å; I388-R390 VanDerWaalsContact C-N 3.25Å; I388-R390 PolarHBondContact O-N 3.08Å; I388-A391 PolarHBondContact O-N 3Å; I388-A391 VanDerWaalsContact O-N 3.11Å; I388-M392 HydrophobicContact CG2-CG 4.42Å; I388-M392 HydrophobicContact CG2-SD 4.07Å; I388-M392 WeakPolarHBondContact O-CG 3.33Å; I388-M392 PolarHBondContact O-N 3.41Å; I388-F414 HydrophobicContact CG2-CE1 4.33Å; I388-F414 HydrophobicContact CG2-CE2 4.34Å; I388-F414 HydrophobicContact CG2-CZ 3.61Å; I388-L424 HydrophobicContact CG2-CD1 3.93Å; I388-L429 HydrophobicContact CD1-CD2 4.34Å; I388-F460 HydrophobicContact CB-CZ 4.34Å; I388-F460 HydrophobicContact CD1-CD2 4.34Å; I388-F460 HydrophobicContact CG1-CD1 4.03Å; I388-F460 HydrophobicContact CG1-CD2 4.03Å; I388-F460 HydrophobicContact CG1-CE1 3.99Å; I388-F460 HydrophobicContact CG1-CE2 3.99Å; I388-F460 HydrophobicContact CG1-CG 4.06Å; I388-F460 HydrophobicContact CG1-CZ 3.96Å; I388-F460 HydrophobicContact CG2-CE2 4.27Å; I388-F460 HydrophobicContact CG2-CZ 4.14Å
389	K	93.8	Very high	94	Very high	55 Å²	55	60.3 Å²	60.3	24%	0.239	27%	0.265	C	S	.	.	H	α-helix	trans	-58.3	-35.3	178.2	-73.6	-168.5	179.4	-148.7	0	113.2	L385 F387 K393 A421 F422 L424	L385-K389 HydrophobicContact CD1-CG 4.42Å; L385-K389 HydrophobicContact CG-CD 4.49Å; L385-K389 WeakPolarHBondContact O-CB 3.43Å; L385-K389 WeakPolarHBondContact O-CG 3.37Å; L385-K389 PolarHBondContact O-N 2.79Å; F387-K389 PolarHBondContact O-N 3.04Å; K389-K393 VanDerWaalsContact O-CG 3.3Å; K389-K393 WeakPolarHBondContact O-CG 3.16Å; K389-K393 PolarHBondContact O-N 2.91Å; K389-A421 WeakPolarHBondContact CD-O 3.38Å; K389-A421 WeakPolarHBondContact CE-O 3.31Å; K389-A421 PolarHBondContact NZ-O 3.24Å; K389-F422 PolarHBondContact NZ-O 3.47Å; K389-L424 WeakPolarHBondContact CE-O 3.43Å; K389-L424 PolarHBondContact NZ-O 2.79Å
390	R	95.1	Very high	93.9	Very high	103 Å²	103	60.1 Å²	60.1	39%	0.389	26%	0.264	S	S	.	.	H	α-helix	trans	-74.8	-39.2	176.7	-178.1	-178.1	57.9	-166	-9.6	111.8	R386 F387 I388 K393 K394 E478	R386-R390 VanDerWaalsContact O-CB 3.29Å; R386-R390 WeakPolarHBondContact O-CB 3.38Å; R386-R390 PolarHBondContact O-N 3.26Å; R386-R390 VanDerWaalsContact O-N 3.09Å; F387-R390 PolarHBondContact O-N 3.05Å; F387-R390 VanDerWaalsContact O-N 3.13Å; I388-R390 VanDerWaalsContact C-N 3.25Å; I388-R390 PolarHBondContact O-N 3.08Å; R390-K393 PolarHBondContact O-N 2.88Å; R390-K394 WeakPolarHBondContact O-CB 3.5Å; R390-K394 PolarHBondContact O-N 3.21Å; R390-E478 IonicContact CZ-OE1 3.74Å; R390-E478 IonicContact CZ-OE2 3.11Å; R390-E478 IonicContact NH1-OE1 3.46Å; R390-E478 PolarHBondContact NH1-OE1 2.73Å; R390-E478 IonicContact NH1-OE2 2.67Å; R390-E478 IonicContact NH2-OE1 2.86Å; R390-E478 PolarHBondContact NH2-OE1 2.72Å; R390-E478 IonicContact NH2-OE2 2.73Å; R390-E478 PolarHBondContact NH2-OE2 3.23Å
391	A	94.3	Very high	93.8	Very high	3 Å²	3	60.8 Å²	60.8	3%	0.025	27%	0.267	C	S	.	.	H	α-helix	trans	-62.6	-48.4	175.5	0	0	0	0	0	111.2	F387 I388 K393 K394 Y395 L410 F460 Y471	F387-A391 HydrophobicContact CD1-CB 4.47Å; F387-A391 HydrophobicContact CE1-CB 4.27Å; F387-A391 WeakPolarHBondContact O-CB 3.28Å; F387-A391 PolarHBondContact O-N 2.94Å; I388-A391 PolarHBondContact O-N 3Å; I388-A391 VanDerWaalsContact O-N 3.11Å; A391-K393 VanDerWaalsContact C-N 3.26Å; A391-K393 PolarHBondContact O-N 3.39Å; A391-K394 PolarHBondContact O-N 3.45Å; A391-Y395 PolarHBondContact O-N 3.04Å; A391-L410 HydrophobicContact CB-CD2 4.22Å; A391-F460 HydrophobicContact CB-CE1 3.94Å; A391-F460 HydrophobicContact CB-CZ 4.38Å; A391-Y471 HydrophobicContact CB-CE1 4.4Å
392	M	91.8	Very high	93.6	Very high	25 Å²	25	62.7 Å²	62.7	12%	0.123	28%	0.28	C	S	.	.	H	α-helix	trans	-55.5	-39.3	175.1	-67.2	175.5	78.3	0	0	112.7	I388 P396 L410 F414 A421 L424	I388-M392 HydrophobicContact CG2-CG 4.42Å; I388-M392 HydrophobicContact CG2-SD 4.07Å; I388-M392 WeakPolarHBondContact O-CG 3.33Å; I388-M392 PolarHBondContact O-N 3.41Å; M392-P396 WeakPolarHBondContact O-CB 3.48Å; M392-P396 WeakPolarHBondContact O-CD 3.48Å; M392-L410 HydrophobicContact CG-CD2 4.38Å; M392-F414 HydrophobicContact CE-CB 3.68Å; M392-F414 HydrophobicContact CE-CD1 3.57Å; M392-F414 HydrophobicContact CE-CD2 3.71Å; M392-F414 HydrophobicContact CE-CE1 4.12Å; M392-F414 HydrophobicContact CE-CE2 4.23Å; M392-F414 HydrophobicContact CE-CG 3.34Å; M392-F414 HydrophobicContact CE-CZ 4.42Å; M392-F414 HydrophobicContact CG-CD2 4.05Å; M392-F414 HydrophobicContact CG-CE2 3.91Å; M392-F414 HydrophobicContact CG-CZ 4.36Å; M392-F414 HydrophobicContact SD-CD1 3.96Å; M392-F414 HydrophobicContact SD-CD2 3.99Å; M392-F414 HydrophobicContact SD-CE1 3.87Å; M392-F414 HydrophobicContact SD-CE2 3.88Å; M392-F414 HydrophobicContact SD-CG 4.03Å; M392-F414 HydrophobicContact SD-CZ 3.82Å; M392-A421 HydrophobicContact CB-CB 4.32Å; M392-A421 HydrophobicContact CE-CB 3.83Å; M392-A421 HydrophobicContact SD-CB 3.78Å; M392-L424 HydrophobicContact SD-CD1 3.8Å
393	K	92	Very high	93.1	Very high	165 Å²	165	58.9 Å²	58.9	72%	0.717	26%	0.264	S	S	*	.	H	α-helix	trans	-75	-35.8	178.8	-72.9	175.7	-178.9	-174.8	0	113.6	K389 R390 A391	K389-K393 VanDerWaalsContact O-CG 3.3Å; K389-K393 WeakPolarHBondContact O-CG 3.16Å; K389-K393 PolarHBondContact O-N 2.91Å; R390-K393 PolarHBondContact O-N 2.88Å; A391-K393 VanDerWaalsContact C-N 3.26Å; A391-K393 PolarHBondContact O-N 3.39Å
394	K	94.4	Very high	92.4	Very high	139 Å²	139	67.7 Å²	67.7	60%	0.604	30%	0.302	S	S	*	.	H	α-helix	trans	-92.6	-32	-172.8	-165.5	177.6	175.3	-164.8	0	113.4	R390 A391 P396	R390-K394 WeakPolarHBondContact O-CB 3.5Å; R390-K394 PolarHBondContact O-N 3.21Å; A391-K394 PolarHBondContact O-N 3.45Å; K394-P396 VanDerWaalsContact C-CD 3.42Å
395	Y	94.3	Very high	91.8	Very high	72 Å²	72	71 Å²	71	28%	0.282	34%	0.337	S	S	.	.			trans	-130.2	43.5	-173.5	-47.1	-60.8	0	0	0	113.5	A391 K397 E398 Y471	A391-Y395 PolarHBondContact O-N 3.04Å; Y395-K397 PolarHBondContact O-N 3.2Å; Y395-K397 VanDerWaalsContact O-N 3.16Å; Y395-E398 WeakPolarHBondContact O-CB 3.33Å; Y395-E398 PolarHBondContact O-N 2.76Å; Y395-E398 VanDerWaalsContact O-N 3.15Å; Y395-Y471 AromaticContact CD2-CE1 3.99Å; Y395-Y471 HydrophobicContact CD2-CE1 3.99Å; Y395-Y471 HydrophobicContact CE2-CE1 4.48Å
396	P	92.6	Very high	91.5	Very high	42 Å²	42	76.3 Å²	76.3	27%	0.273	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-30.6	-174.3	24	-33.8	0	0	0	113.7	M392 K394 M411	M392-P396 WeakPolarHBondContact O-CB 3.48Å; M392-P396 WeakPolarHBondContact O-CD 3.48Å; K394-P396 VanDerWaalsContact C-CD 3.42Å; P396-M411 HydrophobicContact CB-CB 4.21Å; P396-M411 HydrophobicContact CB-SD 4.47Å; P396-M411 VanDerWaalsContact O-CB 3.29Å; P396-M411 WeakPolarHBondContact O-CB 3.48Å; P396-M411 PolarHBondContact O-N 3.22Å
397	K	94.1	Very high	91.3	Very high	173 Å²	173	71.3 Å²	71.3	75%	0.752	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	3.2	-177.6	-60.2	-177.1	-179.7	-177.8	0	114	Y395	Y395-K397 PolarHBondContact O-N 3.2Å; Y395-K397 VanDerWaalsContact O-N 3.16Å
398	E	94.4	Very high	91.2	Very high	50 Å²	50	72.1 Å²	72.1	23%	0.234	35%	0.353	C	S	.	.	S	Bend	trans	-69.7	131	174.4	-177.5	153.4	-150.8	0	0	108.9	Y395 V400 T409 L410 K470 Y471	Y395-E398 WeakPolarHBondContact O-CB 3.33Å; Y395-E398 PolarHBondContact O-N 2.76Å; Y395-E398 VanDerWaalsContact O-N 3.15Å; E398-V400 HydrophobicContact CG-CG1 4.3Å; E398-V400 PolarHBondContact O-N 3.24Å; E398-T409 CarbonylContact O-C 3.49Å; E398-T409 VanDerWaalsContact O-CA 3.27Å; E398-T409 WeakPolarHBondContact O-CA 3.49Å; E398-L410 PolarHBondContact O-N 2.78Å; E398-K470 IonicContact OE1-NZ 2.59Å; E398-K470 PolarHBondContact OE1-NZ 2.56Å; E398-K470 IonicContact OE2-NZ 2.78Å; E398-K470 PolarHBondContact OE2-NZ 3.25Å; E398-Y471 PolarHBondContact OE2-OH 3.31Å
399	I	94.1	Very high	91.1	Very high	72 Å²	72	73.3 Å²	73.3	37%	0.369	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	118.6	177.1	-56.3	176.9	0	0	0	107.2	Q408 T409 Y466 I467	I399-Q408 WeakPolarHBondContact CA-O 3.37Å; I399-T409 HydrophobicContact CG1-CG2 4.29Å; I399-Y466 HydrophobicContact CB-CE1 3.96Å; I399-Y466 HydrophobicContact CG2-CD1 4.19Å; I399-Y466 HydrophobicContact CG2-CE1 3.49Å; I399-Y466 VanDerWaalsContact CG2-CE1 3.49Å; I399-Y466 WeakPolarHBondContact O-CD1 3.3Å; I399-Y466 WeakPolarHBondContact O-CE1 3.24Å; I399-I467 WeakPolarHBondContact O-CG2 3.46Å
400	V	93.1	Very high	91.1	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	-17.5	-169.8	-64.5	0	0	0	0	114	E398 Q408 L410 V413 I459 I467 Y471	E398-V400 HydrophobicContact CG-CG1 4.3Å; E398-V400 PolarHBondContact O-N 3.24Å; V400-Q408 PolarHBondContact N-O 3.15Å; V400-L410 HydrophobicContact CG1-CB 3.97Å; V400-L410 HydrophobicContact CG1-CD1 4.28Å; V400-L410 HydrophobicContact CG2-CB 4.12Å; V400-L410 HydrophobicContact CG2-CD1 4.07Å; V400-V413 HydrophobicContact CG2-CG2 3.94Å; V400-I459 HydrophobicContact CB-CD1 4.19Å; V400-I459 HydrophobicContact CB-CG1 4.18Å; V400-I459 HydrophobicContact CB-CG2 4.15Å; V400-I459 HydrophobicContact CG1-CG2 4.49Å; V400-I459 HydrophobicContact CG2-CD1 3.66Å; V400-I459 HydrophobicContact CG2-CG1 4.22Å; V400-I467 HydrophobicContact CG1-CD1 4.35Å; V400-I467 HydrophobicContact CG1-CG2 4.35Å; V400-Y471 HydrophobicContact CG1-CE2 3.97Å
401	H	89.7	Confident	91	Very high	32 Å²	32	70 Å²	70	15%	0.148	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	157.9	179.1	-173.9	74.9	0	0	0	109.9	Q408 V413 I455 E458 I459	H401-Q408 PolarHBondContact CD2-OE1 3Å; H401-Q408 PolarHBondContact O-N 3.34Å; H401-V413 HydrophobicContact CB-CG2 4.46Å; H401-I455 HydrophobicContact CB-CD1 4.01Å; H401-I455 HydrophobicContact CB-CG1 4.46Å; H401-E458 IonicContact CE1-OE1 2.7Å; H401-E458 IonicContact CE1-OE2 2.74Å; H401-E458 IonicContact ND1-OE1 3.81Å; H401-E458 PolarHBondContact ND1-OE1 3.45Å; H401-E458 IonicContact ND1-OE2 2.69Å; H401-I459 HydrophobicContact CB-CD1 4.48Å
402	V	88.8	Confident	90.9	Very high	55 Å²	55	72.7 Å²	72.7	33%	0.333	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	109.9	175.6	176.8	0	0	0	0	109	K406 Y466	V402-K406 WeakPolarHBondContact CA-O 3.38Å; V402-Y466 HydrophobicContact CB-CD2 4.47Å; V402-Y466 HydrophobicContact CG2-CD1 4.36Å; V402-Y466 HydrophobicContact CG2-CD2 3.5Å; V402-Y466 VanDerWaalsContact CG2-CD2 3.5Å; V402-Y466 HydrophobicContact CG2-CE1 4.22Å; V402-Y466 HydrophobicContact CG2-CE2 3.32Å; V402-Y466 HydrophobicContact CG2-CG 4.03Å
403	E	82.8	Confident	90.9	Very high	80 Å²	80	71.5 Å²	71.5	37%	0.374	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	125.3	176.5	-156.4	-157.6	145.7	0	0	109.4	G405 K406 Q408	E403-G405 PolarHBondContact O-N 3.49Å; E403-K406 PolarHBondContact N-O 3.49Å; E403-K406 PolarHBondContact O-N 2.88Å; E403-Q408 PolarHBondContact OE2-NE2 2.79Å; E403-Q408 VanDerWaalsContact OE2-NE2 3.09Å
404	K	80.4	Confident	90.8	Very high	195 Å²	195	63.8 Å²	63.8	85%	0.848	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	31.1	177.3	-61.9	159.5	-176.3	140.4	0	114	K406	K404-K406 VanDerWaalsContact C-N 3.34Å
405	G	82.8	Confident	90.6	Very high	71 Å²	71	62.7 Å²	62.7	73%	0.732	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	83	-2.5	-178.5	0	0	0	0	0	115.5	E403	E403-G405 PolarHBondContact O-N 3.49Å
406	K	87.8	Confident	90.3	Very high	128 Å²	128	63.4 Å²	63.4	56%	0.557	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	123.3	168.8	-169.6	-163.7	167.1	-156.2	0	109.3	V402 E403 K404 E412	V402-K406 WeakPolarHBondContact CA-O 3.38Å; E403-K406 PolarHBondContact N-O 3.49Å; E403-K406 PolarHBondContact O-N 2.88Å; K404-K406 VanDerWaalsContact C-N 3.34Å; K406-E412 IonicContact NZ-OE1 3.79Å; K406-E412 PolarHBondContact NZ-OE1 2.79Å
407	G	90.1	Very high	90	Very high	26 Å²	26	63.3 Å²	63.3	27%	0.268	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	133.6	167.8	0	0	0	0	0	111.3
408	Q	93.3	Very high	89.6	Confident	28 Å²	28	62.1 Å²	62.1	13%	0.131	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.2	172	-71.5	170.9	-15.1	0	0	109.2	I399 V400 H401 E403 V413	I399-Q408 WeakPolarHBondContact CA-O 3.37Å; V400-Q408 PolarHBondContact N-O 3.15Å; H401-Q408 PolarHBondContact CD2-OE1 3Å; H401-Q408 PolarHBondContact O-N 3.34Å; E403-Q408 PolarHBondContact OE2-NE2 2.79Å; E403-Q408 VanDerWaalsContact OE2-NE2 3.09Å; Q408-V413 HydrophobicContact CB-CG2 3.94Å
409	T	94.3	Very high	89.1	Confident	26 Å²	26	61.7 Å²	61.7	16%	0.16	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	157.2	170.3	58.7	0	0	0	0	111.5	E398 I399 M411 E412 V413	E398-T409 CarbonylContact O-C 3.49Å; E398-T409 VanDerWaalsContact O-CA 3.27Å; E398-T409 WeakPolarHBondContact O-CA 3.49Å; I399-T409 HydrophobicContact CG1-CG2 4.29Å; T409-M411 PolarHBondContact O-N 2.75Å; T409-E412 WeakPolarHBondContact CB-OE2 3.17Å; T409-E412 WeakPolarHBondContact CG2-OE2 3.11Å; T409-E412 PolarHBondContact N-OE2 2.86Å; T409-E412 PolarHBondContact O-N 2.92Å; T409-E412 WeakPolarHBondContact OG1-CB 3.38Å; T409-E412 VanDerWaalsContact OG1-CG 3.32Å; T409-E412 WeakPolarHBondContact OG1-CG 2.96Å; T409-E412 PolarHBondContact OG1-N 3.3Å; T409-E412 PolarHBondContact OG1-OE2 2.81Å; T409-V413 PolarHBondContact O-N 2.88Å
410	L	93.3	Very high	88.5	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-54.5	-36.9	175.7	-175.4	62.6	0	0	0	111.8	A391 M392 E398 V400 F414 F460 Y471	A391-L410 HydrophobicContact CB-CD2 4.22Å; M392-L410 HydrophobicContact CG-CD2 4.38Å; E398-L410 PolarHBondContact O-N 2.78Å; V400-L410 HydrophobicContact CG1-CB 3.97Å; V400-L410 HydrophobicContact CG1-CD1 4.28Å; V400-L410 HydrophobicContact CG2-CB 4.12Å; V400-L410 HydrophobicContact CG2-CD1 4.07Å; L410-F414 HydrophobicContact CD1-CD2 4.1Å; L410-F414 HydrophobicContact CD1-CE2 3.85Å; L410-F414 HydrophobicContact CG-CD2 4.45Å; L410-F414 WeakPolarHBondContact O-CD2 3.27Å; L410-F414 PolarHBondContact O-N 3.16Å; L410-F460 HydrophobicContact CD1-CE2 4.32Å; L410-F460 HydrophobicContact CD1-CZ 4Å; L410-Y471 HydrophobicContact CD2-CE2 4.41Å
411	M	92.2	Very high	87.8	Confident	87 Å²	87	62.8 Å²	62.8	43%	0.429	35%	0.346	S	S	.	.	H	α-helix	trans	-64.5	-49.7	174.2	-166.8	178	81.4	0	0	112.2	P396 T409 V413 F414 E415	P396-M411 HydrophobicContact CB-CB 4.21Å; P396-M411 HydrophobicContact CB-SD 4.47Å; P396-M411 VanDerWaalsContact O-CB 3.29Å; P396-M411 WeakPolarHBondContact O-CB 3.48Å; P396-M411 PolarHBondContact O-N 3.22Å; T409-M411 PolarHBondContact O-N 2.75Å; M411-V413 VanDerWaalsContact C-N 3.29Å; M411-V413 PolarHBondContact O-N 2.99Å; M411-F414 PolarHBondContact O-N 3.4Å; M411-E415 HydrophobicContact CG-CG 4.47Å; M411-E415 WeakPolarHBondContact O-CB 3.22Å; M411-E415 WeakPolarHBondContact O-CG 3.31Å; M411-E415 PolarHBondContact O-N 2.63Å
412	E	92.3	Very high	87.3	Confident	59 Å²	59	69.9 Å²	69.9	28%	0.276	38%	0.376	S	S	.	.	H	α-helix	trans	-59.5	-35.9	177.6	-77.1	167.5	118.7	0	0	112.6	K406 T409 E415 S416	K406-E412 IonicContact NZ-OE1 3.79Å; K406-E412 PolarHBondContact NZ-OE1 2.79Å; T409-E412 WeakPolarHBondContact CB-OE2 3.17Å; T409-E412 WeakPolarHBondContact CG2-OE2 3.11Å; T409-E412 PolarHBondContact N-OE2 2.86Å; T409-E412 PolarHBondContact O-N 2.92Å; T409-E412 WeakPolarHBondContact OG1-CB 3.38Å; T409-E412 VanDerWaalsContact OG1-CG 3.32Å; T409-E412 WeakPolarHBondContact OG1-CG 2.96Å; T409-E412 PolarHBondContact OG1-N 3.3Å; T409-E412 PolarHBondContact OG1-OE2 2.81Å; E412-E415 PolarHBondContact O-N 2.86Å; E412-S416 WeakPolarHBondContact O-CB 3.32Å; E412-S416 PolarHBondContact O-N 3.48Å
413	V	91.6	Very high	87	Confident	0 Å²	0	71 Å²	71	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-61.6	-48.9	176.2	172.5	0	0	0	0	110.9	V400 H401 Q408 T409 M411 S416 M417 I455 L456 I459	V400-V413 HydrophobicContact CG2-CG2 3.94Å; H401-V413 HydrophobicContact CB-CG2 4.46Å; Q408-V413 HydrophobicContact CB-CG2 3.94Å; T409-V413 PolarHBondContact O-N 2.88Å; M411-V413 VanDerWaalsContact C-N 3.29Å; M411-V413 PolarHBondContact O-N 2.99Å; V413-S416 PolarHBondContact O-N 2.97Å; V413-S416 PolarHBondContact O-OG 3.11Å; V413-M417 HydrophobicContact CG1-CE 3.69Å; V413-M417 PolarHBondContact O-N 2.81Å; V413-I455 HydrophobicContact CG1-CD1 4.11Å; V413-I455 HydrophobicContact CG2-CD1 4.31Å; V413-L456 HydrophobicContact CG1-CD2 4.28Å; V413-I459 HydrophobicContact CG1-CD1 4.1Å; V413-I459 HydrophobicContact CG2-CD1 4.35Å
414	F	90.4	Very high	87.1	Confident	3 Å²	3	67.3 Å²	67.3	1%	0.013	36%	0.363	C	S	.	.	H	α-helix	trans	-70.6	-35.5	178.7	-84.6	-85.3	0	0	0	113	I388 M392 L410 M411 S416 M417 N418 L419 L424 L456 F460	I388-F414 HydrophobicContact CG2-CE1 4.33Å; I388-F414 HydrophobicContact CG2-CE2 4.34Å; I388-F414 HydrophobicContact CG2-CZ 3.61Å; M392-F414 HydrophobicContact CE-CB 3.68Å; M392-F414 HydrophobicContact CE-CD1 3.57Å; M392-F414 HydrophobicContact CE-CD2 3.71Å; M392-F414 HydrophobicContact CE-CE1 4.12Å; M392-F414 HydrophobicContact CE-CE2 4.23Å; M392-F414 HydrophobicContact CE-CG 3.34Å; M392-F414 HydrophobicContact CE-CZ 4.42Å; M392-F414 HydrophobicContact CG-CD2 4.05Å; M392-F414 HydrophobicContact CG-CE2 3.91Å; M392-F414 HydrophobicContact CG-CZ 4.36Å; M392-F414 HydrophobicContact SD-CD1 3.96Å; M392-F414 HydrophobicContact SD-CD2 3.99Å; M392-F414 HydrophobicContact SD-CE1 3.87Å; M392-F414 HydrophobicContact SD-CE2 3.88Å; M392-F414 HydrophobicContact SD-CG 4.03Å; M392-F414 HydrophobicContact SD-CZ 3.82Å; L410-F414 HydrophobicContact CD1-CD2 4.1Å; L410-F414 HydrophobicContact CD1-CE2 3.85Å; L410-F414 HydrophobicContact CG-CD2 4.45Å; L410-F414 WeakPolarHBondContact O-CD2 3.27Å; L410-F414 PolarHBondContact O-N 3.16Å; M411-F414 PolarHBondContact O-N 3.4Å; F414-S416 VanDerWaalsContact C-N 3.31Å; F414-S416 PolarHBondContact O-N 2.68Å; F414-M417 PolarHBondContact O-N 3.28Å; F414-N418 PolarHBondContact O-N 3.22Å; F414-L419 CarbonylContact C-O 3.57Å; F414-L419 HydrophobicContact CD1-CB 4.33Å; F414-L419 PolarHBondContact O-N 3.3Å; F414-L419 VanDerWaalsContact O-N 3.07Å; F414-L424 HydrophobicContact CD1-CD1 4.47Å; F414-L424 HydrophobicContact CE1-CD1 3.78Å; F414-L424 HydrophobicContact CE1-CD2 4.26Å; F414-L424 HydrophobicContact CZ-CD1 4.41Å; F414-L456 HydrophobicContact CE1-CD1 4.32Å; F414-L456 HydrophobicContact CE1-CD2 4.29Å; F414-L456 HydrophobicContact CE2-CD2 3.92Å; F414-L456 HydrophobicContact CZ-CD1 4.31Å; F414-L456 HydrophobicContact CZ-CD2 3.69Å; F414-F460 HydrophobicContact CE2-CE2 4.23Å; F414-F460 HydrophobicContact CZ-CE2 4.37Å
415	E	90.1	Very high	87.4	Confident	117 Å²	117	60 Å²	60	55%	0.547	34%	0.336	S	S	.	.	H	α-helix	trans	-61.3	-38.4	171.3	-73.6	174.4	174.9	0	0	111.7	M411 E412 M417 N418	M411-E415 HydrophobicContact CG-CG 4.47Å; M411-E415 WeakPolarHBondContact O-CB 3.22Å; M411-E415 WeakPolarHBondContact O-CG 3.31Å; M411-E415 PolarHBondContact O-N 2.63Å; E412-E415 PolarHBondContact O-N 2.86Å; E415-M417 VanDerWaalsContact C-N 3.26Å; E415-M417 PolarHBondContact O-N 2.85Å; E415-N418 PolarHBondContact O-N 3.38Å
416	S	87.9	Confident	87.4	Confident	87 Å²	87	59 Å²	59	61%	0.608	32%	0.316	S	S	*	.	H	α-helix	trans	-65.3	-27.9	177.5	78.8	0	0	0	0	113.7	E412 V413 F414 N418	E412-S416 WeakPolarHBondContact O-CB 3.32Å; E412-S416 PolarHBondContact O-N 3.48Å; V413-S416 PolarHBondContact O-N 2.97Å; V413-S416 PolarHBondContact O-OG 3.11Å; F414-S416 VanDerWaalsContact C-N 3.31Å; F414-S416 PolarHBondContact O-N 2.68Å; S416-N418 VanDerWaalsContact C-N 3.3Å
417	M	86.4	Confident	87.1	Confident	40 Å²	40	59.5 Å²	59.5	20%	0.197	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-2.9	173.3	-61.9	166.2	-171.7	0	0	112.8	V413 F414 E415 L419 E453 I455 L456	V413-M417 HydrophobicContact CG1-CE 3.69Å; V413-M417 PolarHBondContact O-N 2.81Å; F414-M417 PolarHBondContact O-N 3.28Å; E415-M417 VanDerWaalsContact C-N 3.26Å; E415-M417 PolarHBondContact O-N 2.85Å; M417-L419 VanDerWaalsContact C-N 3.33Å; M417-L419 HydrophobicContact CB-CB 4.44Å; M417-L419 HydrophobicContact CB-CD1 3.95Å; M417-L419 HydrophobicContact CB-CG 4.18Å; M417-L419 PolarHBondContact O-N 2.77Å; M417-E453 HydrophobicContact CE-CB 4.13Å; M417-E453 HydrophobicContact CE-CG 4.17Å; M417-E453 HydrophobicContact SD-CG 4.3Å; M417-I455 HydrophobicContact CE-CG2 3.24Å; M417-L456 HydrophobicContact CE-CD1 4.37Å; M417-L456 HydrophobicContact CE-CD2 3.92Å; M417-L456 HydrophobicContact CE-CG 3.85Å; M417-L456 HydrophobicContact SD-CD1 4Å; M417-L456 HydrophobicContact SD-CD2 4.19Å; M417-L456 HydrophobicContact SD-CG 4.11Å
418	N	85.6	Confident	86.9	Confident	147 Å²	147	60.8 Å²	60.8	79%	0.786	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	42.5	-172.5	-169.8	62	0	0	0	113	F414 E415 S416	F414-N418 PolarHBondContact O-N 3.22Å; E415-N418 PolarHBondContact O-N 3.38Å; S416-N418 VanDerWaalsContact C-N 3.3Å
419	L	84	Confident	86.4	Confident	42 Å²	42	59.5 Å²	59.5	22%	0.22	32%	0.322	C	S	.	.			trans	-126.4	136.4	-178.4	-69.4	171.9	0	0	0	112	F414 M417 L424 I451	F414-L419 CarbonylContact C-O 3.57Å; F414-L419 HydrophobicContact CD1-CB 4.33Å; F414-L419 PolarHBondContact O-N 3.3Å; F414-L419 VanDerWaalsContact O-N 3.07Å; M417-L419 VanDerWaalsContact C-N 3.33Å; M417-L419 HydrophobicContact CB-CB 4.44Å; M417-L419 HydrophobicContact CB-CD1 3.95Å; M417-L419 HydrophobicContact CB-CG 4.18Å; M417-L419 PolarHBondContact O-N 2.77Å; L419-L424 HydrophobicContact CD1-CD2 4.28Å; L419-I451 HydrophobicContact CD1-CD1 3.55Å; L419-I451 HydrophobicContact CD1-CG2 4.13Å
420	T	81.1	Confident	85.9	Confident	74 Å²	74	62.6 Å²	62.6	45%	0.454	34%	0.337	S	S	.	.			trans	-106	163.3	170.1	81.8	0	0	0	0	112	F422 D423 L424	T420-F422 PolarHBondContact O-N 3.08Å; T420-F422 PolarHBondContact OG1-N 3.04Å; T420-D423 WeakPolarHBondContact CA-OD2 3.29Å; T420-D423 WeakPolarHBondContact CB-OD2 3.4Å; T420-D423 WeakPolarHBondContact CG2-OD2 3.28Å; T420-D423 PolarHBondContact N-OD2 3.48Å; T420-D423 PolarHBondContact O-N 2.89Å; T420-D423 VanDerWaalsContact O-N 3.1Å; T420-D423 VanDerWaalsContact OG1-CG 3.29Å; T420-D423 PolarHBondContact OG1-OD2 3.17Å; T420-L424 PolarHBondContact O-N 3.11Å
421	A	78.9	Confident	85.5	Confident	21 Å²	21	62.5 Å²	62.5	17%	0.174	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-13.9	174.1	0	0	0	0	0	114.2	K389 M392	K389-A421 WeakPolarHBondContact CD-O 3.38Å; K389-A421 WeakPolarHBondContact CE-O 3.31Å; K389-A421 PolarHBondContact NZ-O 3.24Å; M392-A421 HydrophobicContact CB-CB 4.32Å; M392-A421 HydrophobicContact CE-CB 3.83Å; M392-A421 HydrophobicContact SD-CB 3.78Å
422	F	79.5	Confident	85.2	Confident	181 Å²	181	60.3 Å²	60.3	79%	0.794	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-45.7	173	-175.2	-98.8	0	0	0	110.8	K389 T420 L424	K389-F422 PolarHBondContact NZ-O 3.47Å; T420-F422 PolarHBondContact O-N 3.08Å; T420-F422 PolarHBondContact OG1-N 3.04Å; F422-L424 VanDerWaalsContact C-N 3.31Å; F422-L424 PolarHBondContact O-N 3.09Å
423	D	81.6	Confident	84.6	Confident	79 Å²	79	57.9 Å²	57.9	42%	0.422	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-26.9	-172.1	-48.1	-49.7	0	0	0	113.4	T420 S425	T420-D423 WeakPolarHBondContact CA-OD2 3.29Å; T420-D423 WeakPolarHBondContact CB-OD2 3.4Å; T420-D423 WeakPolarHBondContact CG2-OD2 3.28Å; T420-D423 PolarHBondContact N-OD2 3.48Å; T420-D423 PolarHBondContact O-N 2.89Å; T420-D423 VanDerWaalsContact O-N 3.1Å; T420-D423 VanDerWaalsContact OG1-CG 3.29Å; T420-D423 PolarHBondContact OG1-OD2 3.17Å; D423-S425 PolarHBondContact O-N 3.4Å; D423-S425 VanDerWaalsContact O-N 3.16Å
424	L	85.8	Confident	84	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.01	33%	0.332	C	S	.	.			trans	-63.3	114.5	178.3	-56	174.8	0	0	0	111.5	L385 I388 K389 M392 F414 L419 T420 F422 T428 I451	L385-L424 HydrophobicContact CD1-CB 3.68Å; I388-L424 HydrophobicContact CG2-CD1 3.93Å; K389-L424 WeakPolarHBondContact CE-O 3.43Å; K389-L424 PolarHBondContact NZ-O 2.79Å; M392-L424 HydrophobicContact SD-CD1 3.8Å; F414-L424 HydrophobicContact CD1-CD1 4.47Å; F414-L424 HydrophobicContact CE1-CD1 3.78Å; F414-L424 HydrophobicContact CE1-CD2 4.26Å; F414-L424 HydrophobicContact CZ-CD1 4.41Å; L419-L424 HydrophobicContact CD1-CD2 4.28Å; T420-L424 PolarHBondContact O-N 3.11Å; F422-L424 VanDerWaalsContact C-N 3.31Å; F422-L424 PolarHBondContact O-N 3.09Å; L424-T428 WeakPolarHBondContact CA-OG1 3.41Å; L424-I451 HydrophobicContact CD2-CD1 3.43Å; L424-I451 VanDerWaalsContact CD2-CD1 3.43Å
425	S	87.3	Confident	83.2	Confident	40 Å²	40	72.3 Å²	72.3	28%	0.28	37%	0.374	S	S	.	.			trans	-108.5	177.8	164.6	81.4	0	0	0	0	111	D423 D427 T428 L429	D423-S425 PolarHBondContact O-N 3.4Å; D423-S425 VanDerWaalsContact O-N 3.16Å; S425-D427 VanDerWaalsContact C-N 3.34Å; S425-D427 PolarHBondContact OG-N 3.01Å; S425-T428 PolarHBondContact N-OG1 3.13Å; S425-T428 PolarHBondContact O-OG1 3.3Å; S425-T428 PolarHBondContact OG-N 2.92Å; S425-T428 VanDerWaalsContact OG-N 3.09Å; S425-L429 PolarHBondContact O-N 3.33Å
426	V	82.7	Confident	82.7	Confident	51 Å²	51	71.4 Å²	71.4	31%	0.309	37%	0.374	S	S	.	.	H	α-helix	trans	-62.5	-45.9	170.7	173.5	0	0	0	0	109.5	Q381 L385 T428 L429	Q381-V426 HydrophobicContact CB-CG1 3.93Å; L385-V426 HydrophobicContact CD2-CG2 3.75Å; V426-T428 VanDerWaalsContact C-N 3.32Å; V426-T428 PolarHBondContact O-N 3.32Å; V426-L429 WeakPolarHBondContact O-CB 3.41Å; V426-L429 PolarHBondContact O-N 2.94Å
427	D	81.9	Confident	81.9	Confident	139 Å²	139	67.3 Å²	67.3	74%	0.743	35%	0.345	S	S	*	.	H	α-helix	trans	-60.7	-38.6	178.8	-44.2	-49.9	0	0	0	112.4	S425 L429 D430	S425-D427 VanDerWaalsContact C-N 3.34Å; S425-D427 PolarHBondContact OG-N 3.01Å; D427-L429 VanDerWaalsContact C-N 3.26Å; D427-L429 PolarHBondContact O-N 2.79Å; D427-D430 PolarHBondContact O-N 3.04Å; D427-D430 VanDerWaalsContact O-N 3.07Å
428	T	84	Confident	81.2	Confident	53 Å²	53	68.8 Å²	68.8	33%	0.325	35%	0.35	S	S	.	.	H	α-helix	trans	-69.2	-21.4	177.3	61.2	0	0	0	0	113.6	L424 S425 V426 D430 I451	L424-T428 WeakPolarHBondContact CA-OG1 3.41Å; S425-T428 PolarHBondContact N-OG1 3.13Å; S425-T428 PolarHBondContact O-OG1 3.3Å; S425-T428 PolarHBondContact OG-N 2.92Å; S425-T428 VanDerWaalsContact OG-N 3.09Å; V426-T428 VanDerWaalsContact C-N 3.32Å; V426-T428 PolarHBondContact O-N 3.32Å; T428-D430 PolarHBondContact O-N 3.28Å; T428-I451 WeakPolarHBondContact O-CG2 3.24Å
429	L	83.3	Confident	80.4	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-69.3	-24.4	172.4	-66.9	-178	0	0	0	111.3	L385 I388 S425 V426 D427 M431 P450 I451	L385-L429 HydrophobicContact CB-CD1 3.78Å; L385-L429 HydrophobicContact CD1-CD1 4.05Å; L385-L429 HydrophobicContact CD1-CD2 4.4Å; L385-L429 HydrophobicContact CD1-CG 4.19Å; L385-L429 HydrophobicContact CG-CD1 4.45Å; I388-L429 HydrophobicContact CD1-CD2 4.34Å; S425-L429 PolarHBondContact O-N 3.33Å; V426-L429 WeakPolarHBondContact O-CB 3.41Å; V426-L429 PolarHBondContact O-N 2.94Å; D427-L429 VanDerWaalsContact C-N 3.26Å; D427-L429 PolarHBondContact O-N 2.79Å; L429-M431 HydrophobicContact CB-CG 4.05Å; L429-M431 WeakPolarHBondContact O-CG 3.2Å; L429-M431 PolarHBondContact O-N 2.82Å; L429-P450 HydrophobicContact CD2-CB 4.26Å; L429-I451 HydrophobicContact CD2-CD1 4.45Å; L429-I451 HydrophobicContact CD2-CG1 4.01Å; L429-I451 PolarHBondContact O-N 2.87Å
430	D	83.6	Confident	79.9	Confident	91 Å²	91	67.8 Å²	67.8	49%	0.487	34%	0.335	S	S	.	.			trans	47.3	32.2	-179.5	-167.3	41.3	0	0	0	114.9	D427 T428 K447	D427-D430 PolarHBondContact O-N 3.04Å; D427-D430 VanDerWaalsContact O-N 3.07Å; T428-D430 PolarHBondContact O-N 3.28Å; D430-K447 WeakPolarHBondContact O-CD 3.39Å; D430-K447 PolarHBondContact O-NZ 2.93Å; D430-K447 IonicContact OD1-NZ 3.75Å; D430-K447 PolarHBondContact OD1-NZ 3.42Å; D430-K447 IonicContact OD2-NZ 3.26Å; D430-K447 PolarHBondContact OD2-NZ 2.76Å
431	M	86.1	Confident	79.6	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.319	C	S	.	.			trans	-89.9	-1	-176.8	-55.7	-170.1	81.4	0	0	113.6	Q381 L384 L429 K447 Y448 P450 I461 L721 Q722	Q381-M431 HydrophobicContact CG-CB 4.42Å; Q381-M431 PolarHBondContact NE2-O 2.89Å; L384-M431 HydrophobicContact CD2-CE 4.34Å; L384-M431 HydrophobicContact CD2-SD 3.52Å; L384-M431 VanDerWaalsContact CD2-SD 3.52Å; L429-M431 HydrophobicContact CB-CG 4.05Å; L429-M431 WeakPolarHBondContact O-CG 3.2Å; L429-M431 PolarHBondContact O-N 2.82Å; M431-K447 WeakPolarHBondContact CB-O 3.42Å; M431-K447 WeakPolarHBondContact CE-O 3.42Å; M431-K447 WeakPolarHBondContact CG-O 3.34Å; M431-Y448 VanDerWaalsContact CE-C 3.49Å; M431-Y448 WeakPolarHBondContact CE-O 3.33Å; M431-P450 HydrophobicContact CE-CB 4.49Å; M431-P450 HydrophobicContact CE-CG 3.9Å; M431-P450 HydrophobicContact SD-CB 3.89Å; M431-P450 HydrophobicContact SD-CG 3.82Å; M431-I461 HydrophobicContact CE-CD1 4Å; M431-L721 HydrophobicContact CB-CG 4.4Å; M431-L721 HydrophobicContact CE-CD2 3.54Å; M431-L721 HydrophobicContact CE-CG 4.27Å; M431-L721 HydrophobicContact SD-CD1 4.28Å; M431-L721 HydrophobicContact SD-CD2 4.04Å; M431-L721 HydrophobicContact SD-CG 4.35Å; M431-Q722 WeakPolarHBondContact O-CG 3.37Å
432	H	84.9	Confident	79.3	Confident	41 Å²	41	68.9 Å²	68.9	19%	0.19	33%	0.334	C	S	.	.	S	Bend	trans	-81.7	138.1	-178.7	-147.7	-75.5	0	0	0	110.7	Q381 K447 Q722 F725	Q381-H432 PolarHBondContact NE2-CD2 2.9Å; Q381-H432 VanDerWaalsContact NE2-CD2 3.34Å; H432-K447 WeakPolarHBondContact O-CD 3.05Å; H432-K447 WeakPolarHBondContact O-CE 3.19Å; H432-K447 PolarHBondContact O-NZ 3.43Å; H432-Q722 PolarHBondContact CE1-O 3Å; H432-Q722 PolarHBondContact ND1-O 2.83Å; H432-Q722 VanDerWaalsContact ND1-O 3.14Å; H432-F725 AromaticContact CD2-CE1 3.73Å; H432-F725 AromaticContact CD2-CZ 3.87Å; H432-F725 AromaticContact CE1-CE2 3.97Å; H432-F725 AromaticContact CE1-CZ 3.56Å; H432-F725 AromaticContact NE2-CE1 3.42Å; H432-F725 WeakPolarHBondContact NE2-CE1 3.35Å; H432-F725 AromaticContact NE2-CE2 3.65Å; H432-F725 AromaticContact NE2-CZ 3.17Å; H432-F725 WeakPolarHBondContact NE2-CZ 3.47Å
433	A	80.3	Confident	79.1	Confident	8 Å²	8	63.7 Å²	63.7	7%	0.066	31%	0.311	C	S	.	.			trans	-67.1	135.2	165.6	0	0	0	0	0	109.3	T437 Q722 F723	A433-T437 HydrophobicContact CB-CG2 4.18Å; A433-Q722 HydrophobicContact CB-CB 4.47Å; A433-Q722 PolarHBondContact N-O 3.34Å; A433-F723 HydrophobicContact CB-CD1 3.64Å; A433-F723 HydrophobicContact CB-CE1 3.37Å; A433-F723 HydrophobicContact CB-CZ 4.48Å
434	D	78.8	Confident	78.9	Confident	63 Å²	63	60.2 Å²	60.2	34%	0.337	29%	0.292	S	S	.	.			trans	-125.2	-179.7	-175.3	76.4	-12	0	0	0	111.5	N436 T437	D434-N436 PolarHBondContact O-N 3.35Å; D434-N436 VanDerWaalsContact OD1-CA 3.3Å; D434-N436 WeakPolarHBondContact OD1-CA 3.3Å; D434-N436 VanDerWaalsContact OD1-CB 3.26Å; D434-N436 WeakPolarHBondContact OD1-CB 3.01Å; D434-N436 PolarHBondContact OD1-N 2.72Å; D434-N436 PolarHBondContact OD2-ND2 3.31Å; D434-T437 PolarHBondContact N-OG1 2.9Å; D434-T437 VanDerWaalsContact N-OG1 3.09Å; D434-T437 VanDerWaalsContact O-CB 3.28Å; D434-T437 WeakPolarHBondContact O-CB 3.22Å; D434-T437 PolarHBondContact O-N 3.24Å; D434-T437 PolarHBondContact O-OG1 3.48Å; D434-T437 PolarHBondContact OD1-N 2.86Å; D434-T437 PolarHBondContact OD1-OG1 3Å
435	R	74.1	Confident	78.6	Confident	242 Å²	242	63.2 Å²	63.2	91%	0.913	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-17.9	175.6	-65.1	-177.4	65.7	-178.5	0.7	113.9
436	N	78.4	Confident	78.1	Confident	99 Å²	99	63.6 Å²	63.6	53%	0.529	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-7.1	179.2	-56.5	-64.1	0	0	0	112.9	D434 K443	D434-N436 PolarHBondContact O-N 3.35Å; D434-N436 VanDerWaalsContact OD1-CA 3.3Å; D434-N436 WeakPolarHBondContact OD1-CA 3.3Å; D434-N436 VanDerWaalsContact OD1-CB 3.26Å; D434-N436 WeakPolarHBondContact OD1-CB 3.01Å; D434-N436 PolarHBondContact OD1-N 2.72Å; D434-N436 PolarHBondContact OD2-ND2 3.31Å; N436-K443 WeakPolarHBondContact O-CD 3.29Å; N436-K443 PolarHBondContact O-NZ 2.84Å
437	T	72.2	Confident	78.1	Confident	0 Å²	0	62 Å²	62	0%	0	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-19.5	-178.4	-50.2	0	0	0	0	112.2	A433 D434 H439 R440 F444 L694	A433-T437 HydrophobicContact CB-CG2 4.18Å; D434-T437 PolarHBondContact N-OG1 2.9Å; D434-T437 VanDerWaalsContact N-OG1 3.09Å; D434-T437 VanDerWaalsContact O-CB 3.28Å; D434-T437 WeakPolarHBondContact O-CB 3.22Å; D434-T437 PolarHBondContact O-N 3.24Å; D434-T437 PolarHBondContact O-OG1 3.48Å; D434-T437 PolarHBondContact OD1-N 2.86Å; D434-T437 PolarHBondContact OD1-OG1 3Å; T437-H439 PolarHBondContact O-N 3.49Å; T437-R440 WeakPolarHBondContact O-CA 3.2Å; T437-R440 PolarHBondContact O-N 2.79Å; T437-F444 HydrophobicContact CG2-CB 3.69Å; T437-L694 HydrophobicContact CG2-CD2 3.73Å
438	F	71.9	Confident	77.8	Confident	72 Å²	72	56.2 Å²	56.2	32%	0.316	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	117.8	177.4	-161.3	-114.2	0	0	0	111.6	Y95 R440 S693	Y95-F438 HydrophobicContact CE1-CD1 4.3Å; Y95-F438 AromaticContact CE1-CE1 3.53Å; Y95-F438 HydrophobicContact CE1-CE1 3.53Å; Y95-F438 HydrophobicContact CE1-CZ 4.22Å; Y95-F438 AromaticContact CZ-CE1 3.77Å; Y95-F438 WeakPolarHBondContact OH-CD1 3.27Å; Y95-F438 WeakPolarHBondContact OH-CE1 3.49Å; F438-R440 PolarHBondContact O-N 3.01Å; F438-S693 VanDerWaalsContact CA-O 3.3Å; F438-S693 WeakPolarHBondContact CA-O 3.24Å; F438-S693 PolarHBondContact N-O 2.94Å
439	H	68.9	Low	77.4	Confident	61 Å²	61	55.1 Å²	55.1	28%	0.282	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	32.2	-170.5	-64.6	-130.9	0	0	0	114.5	Y95 T437 L694 F695	Y95-H439 AromaticContact CE1-CD2 3.78Å; Y95-H439 AromaticContact CE1-CE1 3.54Å; Y95-H439 AromaticContact CE1-NE2 3.29Å; Y95-H439 VanDerWaalsContact CE1-NE2 3.29Å; Y95-H439 WeakPolarHBondContact CE1-NE2 3.42Å; Y95-H439 HydrophobicContact CE2-CB 4.49Å; Y95-H439 AromaticContact CZ-CD2 3.43Å; Y95-H439 VanDerWaalsContact CZ-CD2 3.43Å; Y95-H439 AromaticContact CZ-CE1 3.57Å; Y95-H439 AromaticContact CZ-CG 3.52Å; Y95-H439 AromaticContact CZ-ND1 3.63Å; Y95-H439 AromaticContact CZ-NE2 3.43Å; Y95-H439 VanDerWaalsContact OH-CB 3.31Å; Y95-H439 WeakPolarHBondContact OH-CB 2.99Å; Y95-H439 PolarHBondContact OH-CD2 2.98Å; Y95-H439 PolarHBondContact OH-NE2 3.33Å; T437-H439 PolarHBondContact O-N 3.49Å; H439-L694 WeakPolarHBondContact CA-O 3.37Å; H439-L694 PolarHBondContact CD2-O 3.22Å; H439-L694 PolarHBondContact N-O 2.92Å; H439-F695 VanDerWaalsContact NE2-CA 3.33Å; H439-F695 WeakPolarHBondContact NE2-CA 3.41Å; H439-F695 PolarHBondContact NE2-O 2.93Å
440	R	73	Confident	77.2	Confident	107 Å²	107	55.1 Å²	55.1	40%	0.404	26%	0.263	S	S	.	.			trans	-125.4	68.9	174.8	-69.6	-61.4	-58	-101.1	-1.4	109.4	T437 F438 D442 K443 F444	T437-R440 WeakPolarHBondContact O-CA 3.2Å; T437-R440 PolarHBondContact O-N 2.79Å; F438-R440 PolarHBondContact O-N 3.01Å; R440-D442 WeakPolarHBondContact CA-OD1 3.44Å; R440-D442 WeakPolarHBondContact CB-OD1 3.32Å; R440-D442 IonicContact CZ-OD1 3.39Å; R440-D442 IonicContact CZ-OD2 2.71Å; R440-D442 IonicContact NE-OD1 3.07Å; R440-D442 PolarHBondContact NE-OD1 3.2Å; R440-D442 IonicContact NE-OD2 3.23Å; R440-D442 IonicContact NH2-OD1 3.51Å; R440-D442 PolarHBondContact NH2-OD1 3.11Å; R440-D442 IonicContact NH2-OD2 2.69Å; R440-D442 PolarHBondContact NH2-OD2 3.14Å; R440-D442 PolarHBondContact O-N 3.31Å; R440-K443 HydrophobicContact CB-CB 4.1Å; R440-K443 HydrophobicContact CB-CD 3.89Å; R440-K443 HydrophobicContact CB-CG 4.07Å; R440-K443 HydrophobicContact CG-CD 4.32Å; R440-K443 WeakPolarHBondContact O-CA 3.07Å; R440-K443 WeakPolarHBondContact O-CB 3.46Å; R440-K443 PolarHBondContact O-N 3.45Å; R440-F444 PolarHBondContact O-N 3.23Å
441	F	75.2	Confident	77	Confident	27 Å²	27	53 Å²	53	12%	0.118	25%	0.251	C	S	.	.	H	α-helix	trans	-59.7	-26.2	179.8	-153.5	-87	0	0	0	112.3	F444 N445 D583 F695	F441-F444 HydrophobicContact CD1-CD1 4.28Å; F441-F444 HydrophobicContact CD2-CD1 4.08Å; F441-F444 HydrophobicContact CE1-CD1 4.05Å; F441-F444 HydrophobicContact CE1-CE1 4.32Å; F441-F444 AromaticContact CE2-CD1 3.85Å; F441-F444 HydrophobicContact CE2-CD1 3.85Å; F441-F444 HydrophobicContact CE2-CE1 4.02Å; F441-F444 HydrophobicContact CG-CD1 4.3Å; F441-F444 AromaticContact CZ-CD1 3.84Å; F441-F444 HydrophobicContact CZ-CD1 3.84Å; F441-F444 AromaticContact CZ-CE1 3.81Å; F441-F444 HydrophobicContact CZ-CE1 3.81Å; F441-F444 PolarHBondContact O-N 2.69Å; F441-N445 VanDerWaalsContact CD1-ND2 3.31Å; F441-N445 WeakPolarHBondContact CD1-ND2 3.37Å; F441-N445 WeakPolarHBondContact CE1-ND2 3.17Å; F441-N445 WeakPolarHBondContact O-CB 3.43Å; F441-N445 PolarHBondContact O-N 3.04Å; F441-N445 PolarHBondContact O-ND2 2.76Å; F441-D583 HydrophobicContact CB-CB 4.35Å; F441-D583 WeakPolarHBondContact CB-OD2 3.4Å; F441-D583 HydrophobicContact CD1-CB 3.51Å; F441-D583 HydrophobicContact CD2-CB 4.48Å; F441-D583 HydrophobicContact CE1-CB 3.85Å; F441-D583 HydrophobicContact CG-CB 3.86Å; F441-D583 HydrophobicContact CZ-CB 4.46Å; F441-F695 HydrophobicContact CD2-CE2 4.42Å; F441-F695 AromaticContact CD2-CZ 3.83Å; F441-F695 HydrophobicContact CD2-CZ 3.83Å; F441-F695 HydrophobicContact CE2-CE2 4.49Å; F441-F695 HydrophobicContact CE2-CZ 4.22Å
442	D	72.6	Confident	76.6	Confident	90 Å²	90	55.4 Å²	55.4	48%	0.481	28%	0.275	S	S	.	.	H	α-helix	trans	-62	-42	169.9	68.9	-45.3	0	0	0	112.9	R440 A446	R440-D442 WeakPolarHBondContact CA-OD1 3.44Å; R440-D442 WeakPolarHBondContact CB-OD1 3.32Å; R440-D442 IonicContact CZ-OD1 3.39Å; R440-D442 IonicContact CZ-OD2 2.71Å; R440-D442 IonicContact NE-OD1 3.07Å; R440-D442 PolarHBondContact NE-OD1 3.2Å; R440-D442 IonicContact NE-OD2 3.23Å; R440-D442 IonicContact NH2-OD1 3.51Å; R440-D442 PolarHBondContact NH2-OD1 3.11Å; R440-D442 IonicContact NH2-OD2 2.69Å; R440-D442 PolarHBondContact NH2-OD2 3.14Å; R440-D442 PolarHBondContact O-N 3.31Å; D442-A446 PolarHBondContact O-N 3.34Å
443	K	75.3	Confident	76.3	Confident	72 Å²	72	57.7 Å²	57.7	31%	0.313	29%	0.286	S	S	.	.	H	α-helix	trans	-73.2	-39.2	174.6	-67.4	-179.2	-177	176.6	0	112	N436 R440 N445 A446 K447	N436-K443 WeakPolarHBondContact O-CD 3.29Å; N436-K443 PolarHBondContact O-NZ 2.84Å; R440-K443 HydrophobicContact CB-CB 4.1Å; R440-K443 HydrophobicContact CB-CD 3.89Å; R440-K443 HydrophobicContact CB-CG 4.07Å; R440-K443 HydrophobicContact CG-CD 4.32Å; R440-K443 WeakPolarHBondContact O-CA 3.07Å; R440-K443 WeakPolarHBondContact O-CB 3.46Å; R440-K443 PolarHBondContact O-N 3.45Å; K443-N445 VanDerWaalsContact C-N 3.33Å; K443-N445 PolarHBondContact O-N 3.4Å; K443-A446 WeakPolarHBondContact O-CA 3.35Å; K443-A446 WeakPolarHBondContact O-CB 3.42Å; K443-A446 PolarHBondContact O-N 2.89Å; K443-A446 VanDerWaalsContact O-N 3.07Å; K443-K447 PolarHBondContact O-N 2.88Å
444	F	77.4	Confident	76.6	Confident	7 Å²	7	61 Å²	61	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-56.9	-47.5	173.1	167.5	-109.2	0	0	0	111.2	T437 R440 F441 A446 K447 Y448 L694 D719 Q722 F723	T437-F444 HydrophobicContact CG2-CB 3.69Å; R440-F444 PolarHBondContact O-N 3.23Å; F441-F444 HydrophobicContact CD1-CD1 4.28Å; F441-F444 HydrophobicContact CD2-CD1 4.08Å; F441-F444 HydrophobicContact CE1-CD1 4.05Å; F441-F444 HydrophobicContact CE1-CE1 4.32Å; F441-F444 AromaticContact CE2-CD1 3.85Å; F441-F444 HydrophobicContact CE2-CD1 3.85Å; F441-F444 HydrophobicContact CE2-CE1 4.02Å; F441-F444 HydrophobicContact CG-CD1 4.3Å; F441-F444 AromaticContact CZ-CD1 3.84Å; F441-F444 HydrophobicContact CZ-CD1 3.84Å; F441-F444 AromaticContact CZ-CE1 3.81Å; F441-F444 HydrophobicContact CZ-CE1 3.81Å; F441-F444 PolarHBondContact O-N 2.69Å; F444-A446 PolarHBondContact O-N 2.94Å; F444-K447 WeakPolarHBondContact O-CB 3.39Å; F444-K447 PolarHBondContact O-N 3.18Å; F444-Y448 HydrophobicContact CE1-CE2 4.01Å; F444-Y448 AromaticContact CZ-CE2 3.96Å; F444-Y448 HydrophobicContact CZ-CE2 3.96Å; F444-L694 HydrophobicContact CB-CD2 3.88Å; F444-L694 HydrophobicContact CD1-CD1 4.42Å; F444-L694 HydrophobicContact CD2-CD1 4.28Å; F444-L694 HydrophobicContact CD2-CD2 3.91Å; F444-L694 HydrophobicContact CE1-CD1 4.47Å; F444-L694 HydrophobicContact CE2-CD1 4.33Å; F444-L694 HydrophobicContact CG-CD1 4.32Å; F444-L694 HydrophobicContact CG-CD2 3.9Å; F444-L694 HydrophobicContact CZ-CD1 4.42Å; F444-D719 VanDerWaalsContact CZ-OD2 3.24Å; F444-D719 WeakPolarHBondContact CZ-OD2 3.29Å; F444-Q722 HydrophobicContact CD2-CG 4.42Å; F444-Q722 HydrophobicContact CE2-CB 4.48Å; F444-Q722 HydrophobicContact CE2-CG 4.05Å; F444-F723 HydrophobicContact CD2-CZ 4.07Å; F444-F723 HydrophobicContact CE2-CE1 4.5Å; F444-F723 HydrophobicContact CE2-CE2 4.08Å; F444-F723 AromaticContact CE2-CZ 3.58Å; F444-F723 HydrophobicContact CE2-CZ 3.58Å; F444-F723 HydrophobicContact CZ-CZ 4.44Å
445	N	79.3	Confident	77	Confident	64 Å²	64	59.2 Å²	59.2	34%	0.342	30%	0.299	S	S	.	.	H	α-helix	trans	-57.4	-32.3	174.2	-89.3	-42.8	0	0	0	113.5	F441 K443	F441-N445 VanDerWaalsContact CD1-ND2 3.31Å; F441-N445 WeakPolarHBondContact CD1-ND2 3.37Å; F441-N445 WeakPolarHBondContact CE1-ND2 3.17Å; F441-N445 WeakPolarHBondContact O-CB 3.43Å; F441-N445 PolarHBondContact O-N 3.04Å; F441-N445 PolarHBondContact O-ND2 2.76Å; K443-N445 VanDerWaalsContact C-N 3.33Å; K443-N445 PolarHBondContact O-N 3.4Å
446	A	75.1	Confident	77.8	Confident	48 Å²	48	47.7 Å²	47.7	40%	0.397	26%	0.255	S	S	.	.	H	α-helix	trans	-71.3	-27.6	174.7	0	0	0	0	0	113.1	D442 K443 F444 Y448 N449	D442-A446 PolarHBondContact O-N 3.34Å; K443-A446 WeakPolarHBondContact O-CA 3.35Å; K443-A446 WeakPolarHBondContact O-CB 3.42Å; K443-A446 PolarHBondContact O-N 2.89Å; K443-A446 VanDerWaalsContact O-N 3.07Å; F444-A446 PolarHBondContact O-N 2.94Å; A446-Y448 PolarHBondContact O-N 3.06Å; A446-N449 WeakPolarHBondContact O-CB 3.47Å; A446-N449 PolarHBondContact O-N 3.49Å
447	K	83.9	Confident	78.4	Confident	18 Å²	18	45.4 Å²	45.4	8%	0.078	24%	0.239	C	C	.	.	H	α-helix	trans	-65.1	-17.8	178.9	-64.2	-61.8	-178.6	-179.9	0	114.3	D430 M431 H432 K443 F444 N449 Q722	D430-K447 WeakPolarHBondContact O-CD 3.39Å; D430-K447 PolarHBondContact O-NZ 2.93Å; D430-K447 IonicContact OD1-NZ 3.75Å; D430-K447 PolarHBondContact OD1-NZ 3.42Å; D430-K447 IonicContact OD2-NZ 3.26Å; D430-K447 PolarHBondContact OD2-NZ 2.76Å; M431-K447 WeakPolarHBondContact CB-O 3.42Å; M431-K447 WeakPolarHBondContact CE-O 3.42Å; M431-K447 WeakPolarHBondContact CG-O 3.34Å; H432-K447 WeakPolarHBondContact O-CD 3.05Å; H432-K447 WeakPolarHBondContact O-CE 3.19Å; H432-K447 PolarHBondContact O-NZ 3.43Å; K443-K447 PolarHBondContact O-N 2.88Å; F444-K447 WeakPolarHBondContact O-CB 3.39Å; F444-K447 PolarHBondContact O-N 3.18Å; K447-N449 PolarHBondContact O-N 3.29Å; K447-Q722 HydrophobicContact CB-CG 4.04Å
448	Y	75.6	Confident	79.3	Confident	17 Å²	17	48.7 Å²	48.7	7%	0.067	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-10.4	168.8	-68.8	-79.5	0	0	0	114.2	M431 F444 A446 P450 R457 D719 Q722	M431-Y448 VanDerWaalsContact CE-C 3.49Å; M431-Y448 WeakPolarHBondContact CE-O 3.33Å; F444-Y448 HydrophobicContact CE1-CE2 4.01Å; F444-Y448 AromaticContact CZ-CE2 3.96Å; F444-Y448 HydrophobicContact CZ-CE2 3.96Å; A446-Y448 PolarHBondContact O-N 3.06Å; Y448-P450 WeakPolarHBondContact O-CD 3.47Å; Y448-R457 VanDerWaalsContact O-CD 3.25Å; Y448-R457 WeakPolarHBondContact O-CD 3.33Å; Y448-R457 VanDerWaalsContact O-CG 3.31Å; Y448-R457 WeakPolarHBondContact O-CG 3.36Å; Y448-D719 WeakPolarHBondContact CE1-OD1 3.43Å; Y448-D719 VanDerWaalsContact CZ-OD1 3.24Å; Y448-D719 VanDerWaalsContact OH-CG 3.28Å; Y448-D719 PolarHBondContact OH-OD1 3.37Å; Y448-D719 PolarHBondContact OH-OD2 3.09Å; Y448-Q722 VanDerWaalsContact CD1-NE2 3.3Å; Y448-Q722 VanDerWaalsContact CZ-NE2 3.28Å
449	N	75.3	Confident	80.4	Confident	31 Å²	31	45.2 Å²	45.2	17%	0.166	24%	0.24	C	C	.	.	S	Bend	trans	-95.4	110.1	178	-57.7	-28	0	0	0	109.7	A446 K447 I451 G452 R457	A446-N449 WeakPolarHBondContact O-CB 3.47Å; A446-N449 PolarHBondContact O-N 3.49Å; K447-N449 PolarHBondContact O-N 3.29Å; N449-I451 PolarHBondContact O-N 3.03Å; N449-G452 WeakPolarHBondContact O-CA 3.3Å; N449-G452 PolarHBondContact O-N 2.68Å; N449-R457 WeakPolarHBondContact OD1-CD 3.16Å; N449-R457 PolarHBondContact OD1-NH1 2.92Å
450	P	79.3	Confident	81.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-59.9	129.6	177.6	-18.4	29.9	0	0	0	110.8	L429 M431 Y448 G452 E453 L456 I461	L429-P450 HydrophobicContact CD2-CB 4.26Å; M431-P450 HydrophobicContact CE-CB 4.49Å; M431-P450 HydrophobicContact CE-CG 3.9Å; M431-P450 HydrophobicContact SD-CB 3.89Å; M431-P450 HydrophobicContact SD-CG 3.82Å; Y448-P450 WeakPolarHBondContact O-CD 3.47Å; P450-G452 PolarHBondContact O-N 3.44Å; P450-G452 VanDerWaalsContact O-N 3.15Å; P450-E453 PolarHBondContact O-N 3.21Å; P450-L456 HydrophobicContact CB-CB 3.98Å; P450-L456 HydrophobicContact CB-CD1 4.26Å; P450-L456 HydrophobicContact CG-CB 3.96Å; P450-I461 HydrophobicContact CG-CD1 4.02Å
451	I	79.8	Confident	82.7	Confident	46 Å²	46	37.4 Å²	37.4	24%	0.236	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	62.1	16.4	-177.9	-33.6	-179.8	0	0	0	111.9	L419 L424 T428 L429 N449 E453 L456	L419-I451 HydrophobicContact CD1-CD1 3.55Å; L419-I451 HydrophobicContact CD1-CG2 4.13Å; L424-I451 HydrophobicContact CD2-CD1 3.43Å; L424-I451 VanDerWaalsContact CD2-CD1 3.43Å; T428-I451 WeakPolarHBondContact O-CG2 3.24Å; L429-I451 HydrophobicContact CD2-CD1 4.45Å; L429-I451 HydrophobicContact CD2-CG1 4.01Å; L429-I451 PolarHBondContact O-N 2.87Å; N449-I451 PolarHBondContact O-N 3.03Å; I451-E453 PolarHBondContact O-N 3.12Å; I451-L456 HydrophobicContact CD1-CD1 3.7Å; I451-L456 HydrophobicContact CG1-CD1 3.99Å
452	G	76.5	Confident	83.6	Confident	50 Å²	50	38.6 Å²	38.6	52%	0.515	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	77.9	-5.5	-169.7	0	0	0	0	0	114.7	N449 P450	N449-G452 WeakPolarHBondContact O-CA 3.3Å; N449-G452 PolarHBondContact O-N 2.68Å; P450-G452 PolarHBondContact O-N 3.44Å; P450-G452 VanDerWaalsContact O-N 3.15Å
453	E	80.2	Confident	84.6	Confident	89 Å²	89	35.7 Å²	35.7	42%	0.416	20%	0.198	S	C	.	.			trans	-91	118.5	-172.8	-74.1	-61.4	160.4	0	0	112.8	M417 P450 I451 I455 L456	M417-E453 HydrophobicContact CE-CB 4.13Å; M417-E453 HydrophobicContact CE-CG 4.17Å; M417-E453 HydrophobicContact SD-CG 4.3Å; P450-E453 PolarHBondContact O-N 3.21Å; I451-E453 PolarHBondContact O-N 3.12Å; E453-I455 VanDerWaalsContact C-N 3.31Å; E453-I455 HydrophobicContact CB-CG2 4.29Å; E453-I455 PolarHBondContact O-N 2.83Å; E453-L456 HydrophobicContact CB-CD1 4.41Å; E453-L456 HydrophobicContact CB-CG 4.26Å; E453-L456 PolarHBondContact O-N 2.99Å
454	S	85.4	Confident	85.5	Confident	77 Å²	77	35.8 Å²	35.8	54%	0.538	20%	0.202	S	C	.	.	H	α-helix	trans	-67.1	-30.8	-176.6	59.3	0	0	0	0	113.2	L456 R457 E458	S454-L456 VanDerWaalsContact C-N 3.32Å; S454-L456 PolarHBondContact O-N 3.04Å; S454-R457 WeakPolarHBondContact O-CB 3.43Å; S454-R457 PolarHBondContact O-N 3.36Å; S454-E458 PolarHBondContact O-N 3.25Å
455	I	88.5	Confident	86.3	Confident	26 Å²	26	36.2 Å²	36.2	13%	0.133	21%	0.205	C	C	.	.	H	α-helix	trans	-63.8	-33.9	176.4	-174.3	173.1	0	0	0	112.2	H401 V413 M417 E453 E458 I459	H401-I455 HydrophobicContact CB-CD1 4.01Å; H401-I455 HydrophobicContact CB-CG1 4.46Å; V413-I455 HydrophobicContact CG1-CD1 4.11Å; V413-I455 HydrophobicContact CG2-CD1 4.31Å; M417-I455 HydrophobicContact CE-CG2 3.24Å; E453-I455 VanDerWaalsContact C-N 3.31Å; E453-I455 HydrophobicContact CB-CG2 4.29Å; E453-I455 PolarHBondContact O-N 2.83Å; I455-E458 WeakPolarHBondContact O-CB 3.42Å; I455-E458 PolarHBondContact O-N 3.06Å; I455-I459 HydrophobicContact CD1-CD1 4.5Å; I455-I459 HydrophobicContact CG1-CD1 3.84Å; I455-I459 HydrophobicContact CG1-CG1 4.48Å; I455-I459 WeakPolarHBondContact O-CD1 3.5Å; I455-I459 VanDerWaalsContact O-CG1 3.26Å; I455-I459 WeakPolarHBondContact O-CG1 3.41Å; I455-I459 PolarHBondContact O-N 3.41Å
456	L	90.4	Very high	87	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-70.6	-36.3	175.4	-65.1	-175.1	0	0	0	111.5	V413 F414 M417 P450 I451 E453 S454 I459 F460	V413-L456 HydrophobicContact CG1-CD2 4.28Å; F414-L456 HydrophobicContact CE1-CD1 4.32Å; F414-L456 HydrophobicContact CE1-CD2 4.29Å; F414-L456 HydrophobicContact CE2-CD2 3.92Å; F414-L456 HydrophobicContact CZ-CD1 4.31Å; F414-L456 HydrophobicContact CZ-CD2 3.69Å; M417-L456 HydrophobicContact CE-CD1 4.37Å; M417-L456 HydrophobicContact CE-CD2 3.92Å; M417-L456 HydrophobicContact CE-CG 3.85Å; M417-L456 HydrophobicContact SD-CD1 4Å; M417-L456 HydrophobicContact SD-CD2 4.19Å; M417-L456 HydrophobicContact SD-CG 4.11Å; P450-L456 HydrophobicContact CB-CB 3.98Å; P450-L456 HydrophobicContact CB-CD1 4.26Å; P450-L456 HydrophobicContact CG-CB 3.96Å; I451-L456 HydrophobicContact CD1-CD1 3.7Å; I451-L456 HydrophobicContact CG1-CD1 3.99Å; E453-L456 HydrophobicContact CB-CD1 4.41Å; E453-L456 HydrophobicContact CB-CG 4.26Å; E453-L456 PolarHBondContact O-N 2.99Å; S454-L456 VanDerWaalsContact C-N 3.32Å; S454-L456 PolarHBondContact O-N 3.04Å; L456-I459 PolarHBondContact O-N 3.2Å; L456-F460 HydrophobicContact CD2-CE2 4.36Å; L456-F460 WeakPolarHBondContact O-CB 3.46Å; L456-F460 WeakPolarHBondContact O-CD2 3.29Å; L456-F460 PolarHBondContact O-N 3.25Å
457	R	90.7	Very high	87.9	Confident	51 Å²	51	37.5 Å²	37.5	19%	0.192	20%	0.197	C	C	.	.	H	α-helix	trans	-63.3	-43.2	171	-174.8	-175	-178.4	179.6	6.7	111.2	Y448 N449 S454 I461 K462	Y448-R457 VanDerWaalsContact O-CD 3.25Å; Y448-R457 WeakPolarHBondContact O-CD 3.33Å; Y448-R457 VanDerWaalsContact O-CG 3.31Å; Y448-R457 WeakPolarHBondContact O-CG 3.36Å; N449-R457 WeakPolarHBondContact OD1-CD 3.16Å; N449-R457 PolarHBondContact OD1-NH1 2.92Å; S454-R457 WeakPolarHBondContact O-CB 3.43Å; S454-R457 PolarHBondContact O-N 3.36Å; R457-I461 HydrophobicContact CG-CB 4.23Å; R457-I461 CarbonylContact O-C 3.53Å; R457-I461 VanDerWaalsContact O-C 3.24Å; R457-I461 VanDerWaalsContact O-CA 3.27Å; R457-I461 WeakPolarHBondContact O-CA 3.21Å; R457-I461 WeakPolarHBondContact O-CB 3.28Å; R457-I461 PolarHBondContact O-N 3.29Å; R457-K462 PolarHBondContact O-N 3.45Å
458	E	91.5	Very high	88.4	Confident	69 Å²	69	41.1 Å²	41.1	32%	0.322	21%	0.214	S	C	.	.	H	α-helix	trans	-58.8	-49.4	175.7	-169.6	-169.8	135.3	0	0	111.1	H401 S454 I455 N465	H401-E458 IonicContact CE1-OE1 2.7Å; H401-E458 IonicContact CE1-OE2 2.74Å; H401-E458 IonicContact ND1-OE1 3.81Å; H401-E458 PolarHBondContact ND1-OE1 3.45Å; H401-E458 IonicContact ND1-OE2 2.69Å; S454-E458 PolarHBondContact O-N 3.25Å; I455-E458 WeakPolarHBondContact O-CB 3.42Å; I455-E458 PolarHBondContact O-N 3.06Å; E458-N465 HydrophobicContact CG-CB 4.02Å; E458-N465 PolarHBondContact O-ND2 2.64Å
459	I	94.3	Very high	89.4	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-67.7	-44.3	-176.5	-69.2	163.2	0	0	0	112.6	V400 H401 V413 I455 L456 N465 Y471	V400-I459 HydrophobicContact CB-CD1 4.19Å; V400-I459 HydrophobicContact CB-CG1 4.18Å; V400-I459 HydrophobicContact CB-CG2 4.15Å; V400-I459 HydrophobicContact CG1-CG2 4.49Å; V400-I459 HydrophobicContact CG2-CD1 3.66Å; V400-I459 HydrophobicContact CG2-CG1 4.22Å; H401-I459 HydrophobicContact CB-CD1 4.48Å; V413-I459 HydrophobicContact CG1-CD1 4.1Å; V413-I459 HydrophobicContact CG2-CD1 4.35Å; I455-I459 HydrophobicContact CD1-CD1 4.5Å; I455-I459 HydrophobicContact CG1-CD1 3.84Å; I455-I459 HydrophobicContact CG1-CG1 4.48Å; I455-I459 WeakPolarHBondContact O-CD1 3.5Å; I455-I459 VanDerWaalsContact O-CG1 3.26Å; I455-I459 WeakPolarHBondContact O-CG1 3.41Å; I455-I459 PolarHBondContact O-N 3.41Å; L456-I459 PolarHBondContact O-N 3.2Å; I459-N465 PolarHBondContact O-ND2 3Å; I459-Y471 HydrophobicContact CG2-CD2 3.73Å; I459-Y471 HydrophobicContact CG2-CE2 3.94Å
460	F	95.7	Very high	90.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-102.9	-21.8	-169.9	-69.6	-75.8	0	0	0	115.2	F387 I388 A391 L410 F414 L456 Y471 F472 I475	F387-F460 HydrophobicContact CD1-CD1 4.06Å; F387-F460 HydrophobicContact CD1-CE1 4.16Å; F387-F460 HydrophobicContact CE1-CD1 4.1Å; F387-F460 HydrophobicContact CE1-CE1 4.17Å; I388-F460 HydrophobicContact CB-CZ 4.34Å; I388-F460 HydrophobicContact CD1-CD2 4.34Å; I388-F460 HydrophobicContact CG1-CD1 4.03Å; I388-F460 HydrophobicContact CG1-CD2 4.03Å; I388-F460 HydrophobicContact CG1-CE1 3.99Å; I388-F460 HydrophobicContact CG1-CE2 3.99Å; I388-F460 HydrophobicContact CG1-CG 4.06Å; I388-F460 HydrophobicContact CG1-CZ 3.96Å; I388-F460 HydrophobicContact CG2-CE2 4.27Å; I388-F460 HydrophobicContact CG2-CZ 4.14Å; A391-F460 HydrophobicContact CB-CE1 3.94Å; A391-F460 HydrophobicContact CB-CZ 4.38Å; L410-F460 HydrophobicContact CD1-CE2 4.32Å; L410-F460 HydrophobicContact CD1-CZ 4Å; F414-F460 HydrophobicContact CE2-CE2 4.23Å; F414-F460 HydrophobicContact CZ-CE2 4.37Å; L456-F460 HydrophobicContact CD2-CE2 4.36Å; L456-F460 WeakPolarHBondContact O-CB 3.46Å; L456-F460 WeakPolarHBondContact O-CD2 3.29Å; L456-F460 PolarHBondContact O-N 3.25Å; F460-Y471 AromaticContact CD1-CD2 3.77Å; F460-Y471 HydrophobicContact CD1-CD2 3.77Å; F460-Y471 HydrophobicContact CD1-CG 4.1Å; F460-Y471 AromaticContact CE1-CD2 3.58Å; F460-Y471 HydrophobicContact CE1-CD2 3.58Å; F460-Y471 AromaticContact CE1-CE2 3.99Å; F460-Y471 HydrophobicContact CE1-CE2 3.99Å; F460-Y471 HydrophobicContact CE1-CG 4.11Å; F460-Y471 HydrophobicContact CZ-CD2 4.27Å; F460-Y471 HydrophobicContact CZ-CE2 4.36Å; F460-F472 WeakPolarHBondContact O-CA 3.37Å; F460-F472 WeakPolarHBondContact O-CB 3.16Å; F460-I475 WeakPolarHBondContact O-CD1 3.3Å
461	I	94.5	Very high	91.3	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	21%	0.213	C	C	.	.	S	Bend	trans	-134.4	28.6	-166.1	-34.2	-178.4	0	0	0	111.9	S376 M379 L384 M431 P450 R457 F472 L721	S376-I461 WeakPolarHBondContact O-CG2 3.37Å; M379-I461 HydrophobicContact CE-CD1 4.4Å; M379-I461 HydrophobicContact CE-CG2 4.49Å; L384-I461 HydrophobicContact CD2-CD1 3.92Å; M431-I461 HydrophobicContact CE-CD1 4Å; P450-I461 HydrophobicContact CG-CD1 4.02Å; R457-I461 HydrophobicContact CG-CB 4.23Å; R457-I461 CarbonylContact O-C 3.53Å; R457-I461 VanDerWaalsContact O-C 3.24Å; R457-I461 VanDerWaalsContact O-CA 3.27Å; R457-I461 WeakPolarHBondContact O-CA 3.21Å; R457-I461 WeakPolarHBondContact O-CB 3.28Å; R457-I461 PolarHBondContact O-N 3.29Å; I461-F472 HydrophobicContact CG2-CD2 4.24Å; I461-F472 HydrophobicContact CG2-CE2 4.06Å; I461-L721 HydrophobicContact CD1-CD2 4.41Å
462	K	94.1	Very high	92.1	Very high	51 Å²	51	39.2 Å²	39.2	22%	0.222	20%	0.203	C	C	.	.			trans	-130.2	148.1	168.4	-69.1	-64.8	-177.2	-173.9	0	111.5	R457 G469 F472 Y498	R457-K462 PolarHBondContact O-N 3.45Å; K462-G469 WeakPolarHBondContact O-CA 3.25Å; K462-F472 WeakPolarHBondContact O-CB 3.35Å; K462-Y498 PolarHBondContact NZ-OH 3.17Å
463	T	94.7	Very high	93.1	Very high	29 Å²	29	36.9 Å²	36.9	18%	0.178	18%	0.178	C	C	.	.	S	Bend	trans	-79.7	-37.4	174.7	51.3	0	0	0	0	111.5	E468 G469 F472 L495 L508 W511	T463-E468 CarbonylContact O-C 3.44Å; T463-G469 VanDerWaalsContact O-CA 3.31Å; T463-G469 WeakPolarHBondContact O-CA 3.12Å; T463-G469 PolarHBondContact O-N 3.44Å; T463-F472 HydrophobicContact CG2-CD1 3.7Å; T463-F472 HydrophobicContact CG2-CE1 3.75Å; T463-L495 HydrophobicContact CG2-CD2 4.2Å; T463-L508 HydrophobicContact CG2-CD1 3.74Å; T463-W511 HydrophobicContact CG2-CD2 3.62Å; T463-W511 HydrophobicContact CG2-CE3 3.75Å; T463-W511 HydrophobicContact CG2-CG 4.17Å; T463-W511 HydrophobicContact CG2-CH2 4.05Å; T463-W511 HydrophobicContact CG2-CZ2 3.93Å; T463-W511 HydrophobicContact CG2-CZ3 3.96Å
464	D	93.5	Very high	94	Very high	74 Å²	74	35.4 Å²	35.4	40%	0.396	17%	0.171	S	C	.	.	S	Bend	trans	-105.2	107.2	176.4	-175.5	32.5	0	0	0	110	K507	D464-K507 IonicContact OD1-NZ 3.79Å; D464-K507 PolarHBondContact OD1-NZ 2.8Å; D464-K507 IonicContact OD2-NZ 2.73Å; D464-K507 PolarHBondContact OD2-NZ 3.2Å
465	N	94.1	Very high	94.5	Very high	17 Å²	17	31.7 Å²	31.7	9%	0.091	15%	0.146	C	C	.	.	S	Bend	trans	-157.1	-178.8	174.9	69.6	22.3	0	0	0	109.9	E458 I459 I467 E468 G469	E458-N465 HydrophobicContact CG-CB 4.02Å; E458-N465 PolarHBondContact O-ND2 2.64Å; I459-N465 PolarHBondContact O-ND2 3Å; N465-I467 VanDerWaalsContact C-N 3.27Å; N465-I467 PolarHBondContact O-N 3.43Å; N465-I467 VanDerWaalsContact OD1-C 3.27Å; N465-I467 WeakPolarHBondContact OD1-CA 3.39Å; N465-I467 WeakPolarHBondContact OD1-CG1 3.31Å; N465-I467 PolarHBondContact OD1-N 2.78Å; N465-E468 PolarHBondContact O-N 3.49Å; N465-E468 PolarHBondContact OD1-N 3.4Å; N465-G469 PolarHBondContact OD1-N 2.76Å
466	Y	93.7	Very high	95	Very high	124 Å²	124	30.5 Å²	30.5	49%	0.486	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-30.5	-177.5	-177.5	-102.5	0	0	0	114.8	I399 V402 E468	I399-Y466 HydrophobicContact CB-CE1 3.96Å; I399-Y466 HydrophobicContact CG2-CD1 4.19Å; I399-Y466 HydrophobicContact CG2-CE1 3.49Å; I399-Y466 VanDerWaalsContact CG2-CE1 3.49Å; I399-Y466 WeakPolarHBondContact O-CD1 3.3Å; I399-Y466 WeakPolarHBondContact O-CE1 3.24Å; V402-Y466 HydrophobicContact CB-CD2 4.47Å; V402-Y466 HydrophobicContact CG2-CD1 4.36Å; V402-Y466 HydrophobicContact CG2-CD2 3.5Å; V402-Y466 VanDerWaalsContact CG2-CD2 3.5Å; V402-Y466 HydrophobicContact CG2-CE1 4.22Å; V402-Y466 HydrophobicContact CG2-CE2 3.32Å; V402-Y466 HydrophobicContact CG2-CG 4.03Å; Y466-E468 VanDerWaalsContact C-N 3.32Å
467	I	94.5	Very high	95.3	Very high	14 Å²	14	34 Å²	34	7%	0.072	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	22.7	175.1	59.7	171.9	0	0	0	112.3	I399 V400 N465 G469 K470 Y471	I399-I467 WeakPolarHBondContact O-CG2 3.46Å; V400-I467 HydrophobicContact CG1-CD1 4.35Å; V400-I467 HydrophobicContact CG1-CG2 4.35Å; N465-I467 VanDerWaalsContact C-N 3.27Å; N465-I467 PolarHBondContact O-N 3.43Å; N465-I467 VanDerWaalsContact OD1-C 3.27Å; N465-I467 WeakPolarHBondContact OD1-CA 3.39Å; N465-I467 WeakPolarHBondContact OD1-CG1 3.31Å; N465-I467 PolarHBondContact OD1-N 2.78Å; I467-G469 PolarHBondContact O-N 3.48Å; I467-G469 VanDerWaalsContact O-N 3.11Å; I467-K470 HydrophobicContact CB-CB 4.44Å; I467-K470 HydrophobicContact CD1-CB 4.35Å; I467-K470 HydrophobicContact CG1-CB 4.44Å; I467-K470 VanDerWaalsContact O-CB 3.22Å; I467-K470 WeakPolarHBondContact O-CB 3.43Å; I467-K470 PolarHBondContact O-N 2.95Å; I467-K470 VanDerWaalsContact O-N 3.07Å; I467-Y471 HydrophobicContact CD1-CD1 4.38Å; I467-Y471 HydrophobicContact CD1-CD2 3.37Å; I467-Y471 HydrophobicContact CD1-CE2 3.56Å; I467-Y471 HydrophobicContact CD1-CG 3.81Å
468	E	94.9	Very high	95.6	Very high	95 Å²	95	33.9 Å²	33.9	44%	0.444	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	37.6	173.6	-56.2	162.5	120.9	0	0	112.2	T463 N465 Y466 K470 R514 H515	T463-E468 CarbonylContact O-C 3.44Å; N465-E468 PolarHBondContact O-N 3.49Å; N465-E468 PolarHBondContact OD1-N 3.4Å; Y466-E468 VanDerWaalsContact C-N 3.32Å; E468-K470 VanDerWaalsContact C-N 3.27Å; E468-K470 PolarHBondContact O-N 3.19Å; E468-R514 IonicContact OE1-CZ 3.91Å; E468-R514 IonicContact OE1-NH1 3.07Å; E468-R514 PolarHBondContact OE1-NH1 3.07Å; E468-R514 IonicContact OE1-NH2 3.95Å; E468-R514 IonicContact OE2-CZ 2.94Å; E468-R514 IonicContact OE2-NH1 3.75Å; E468-R514 PolarHBondContact OE2-NH1 2.83Å; E468-R514 IonicContact OE2-NH2 3.6Å; E468-R514 PolarHBondContact OE2-NH2 3.47Å; E468-H515 PolarHBondContact O-NE2 2.88Å
469	G	95.9	Very high	95.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	15.4	177.4	0	0	0	0	0	115.8	K462 T463 N465 I467 Y471 F472 G473 W511	K462-G469 WeakPolarHBondContact O-CA 3.25Å; T463-G469 VanDerWaalsContact O-CA 3.31Å; T463-G469 WeakPolarHBondContact O-CA 3.12Å; T463-G469 PolarHBondContact O-N 3.44Å; N465-G469 PolarHBondContact OD1-N 2.76Å; I467-G469 PolarHBondContact O-N 3.48Å; I467-G469 VanDerWaalsContact O-N 3.11Å; G469-Y471 VanDerWaalsContact C-N 3.34Å; G469-Y471 PolarHBondContact O-N 3.17Å; G469-F472 PolarHBondContact O-N 3.27Å; G469-F472 VanDerWaalsContact O-N 3.11Å; G469-G473 PolarHBondContact O-N 2.99Å; G469-W511 PolarHBondContact O-NE1 3.26Å; G469-W511 VanDerWaalsContact O-NE1 3.07Å
470	K	96.8	Very high	96	Very high	50 Å²	50	31.8 Å²	31.8	22%	0.217	15%	0.148	C	C	.	.	H	α-helix	trans	-47.5	-47.6	-178	178.1	-169.5	-178.4	-167.7	0	114.1	E398 I467 E468 H474 H515	E398-K470 IonicContact OE1-NZ 2.59Å; E398-K470 PolarHBondContact OE1-NZ 2.56Å; E398-K470 IonicContact OE2-NZ 2.78Å; E398-K470 PolarHBondContact OE2-NZ 3.25Å; I467-K470 HydrophobicContact CB-CB 4.44Å; I467-K470 HydrophobicContact CD1-CB 4.35Å; I467-K470 HydrophobicContact CG1-CB 4.44Å; I467-K470 VanDerWaalsContact O-CB 3.22Å; I467-K470 WeakPolarHBondContact O-CB 3.43Å; I467-K470 PolarHBondContact O-N 2.95Å; I467-K470 VanDerWaalsContact O-N 3.07Å; E468-K470 VanDerWaalsContact C-N 3.27Å; E468-K470 PolarHBondContact O-N 3.19Å; K470-H474 PolarHBondContact O-CD2 3.4Å; K470-H474 VanDerWaalsContact O-CG 3.3Å; K470-H474 PolarHBondContact O-N 3.47Å; K470-H474 VanDerWaalsContact O-N 3.09Å; K470-H515 VanDerWaalsContact CA-CE1 3.48Å; K470-H515 WeakPolarHBondContact CA-CE1 3.3Å
471	Y	97.4	Very high	96	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-70	-40.5	-179.5	-68.9	-29	0	0	0	112.7	F387 A391 Y395 E398 V400 L410 I459 F460 I467 G469 H474 I475	F387-Y471 HydrophobicContact CE1-CD1 4.07Å; F387-Y471 HydrophobicContact CE1-CG 4.09Å; F387-Y471 HydrophobicContact CZ-CD1 4.25Å; A391-Y471 HydrophobicContact CB-CE1 4.4Å; Y395-Y471 AromaticContact CD2-CE1 3.99Å; Y395-Y471 HydrophobicContact CD2-CE1 3.99Å; Y395-Y471 HydrophobicContact CE2-CE1 4.48Å; E398-Y471 PolarHBondContact OE2-OH 3.31Å; V400-Y471 HydrophobicContact CG1-CE2 3.97Å; L410-Y471 HydrophobicContact CD2-CE2 4.41Å; I459-Y471 HydrophobicContact CG2-CD2 3.73Å; I459-Y471 HydrophobicContact CG2-CE2 3.94Å; F460-Y471 AromaticContact CD1-CD2 3.77Å; F460-Y471 HydrophobicContact CD1-CD2 3.77Å; F460-Y471 HydrophobicContact CD1-CG 4.1Å; F460-Y471 AromaticContact CE1-CD2 3.58Å; F460-Y471 HydrophobicContact CE1-CD2 3.58Å; F460-Y471 AromaticContact CE1-CE2 3.99Å; F460-Y471 HydrophobicContact CE1-CE2 3.99Å; F460-Y471 HydrophobicContact CE1-CG 4.11Å; F460-Y471 HydrophobicContact CZ-CD2 4.27Å; F460-Y471 HydrophobicContact CZ-CE2 4.36Å; I467-Y471 HydrophobicContact CD1-CD1 4.38Å; I467-Y471 HydrophobicContact CD1-CD2 3.37Å; I467-Y471 HydrophobicContact CD1-CE2 3.56Å; I467-Y471 HydrophobicContact CD1-CG 3.81Å; G469-Y471 VanDerWaalsContact C-N 3.34Å; G469-Y471 PolarHBondContact O-N 3.17Å; Y471-H474 WeakPolarHBondContact O-CB 3.44Å; Y471-H474 PolarHBondContact O-N 2.83Å; Y471-I475 WeakPolarHBondContact O-CG1 3.24Å; Y471-I475 PolarHBondContact O-N 2.89Å
472	F	97.8	Very high	96	Very high	4 Å²	4	36 Å²	36	2%	0.018	18%	0.177	C	C	.	.	H	α-helix	trans	-64.3	-44.7	177	-173.9	-127.8	0	0	0	111.1	A375 F460 I461 K462 T463 G469 H474 I475 I476 L495 W511	A375-F472 HydrophobicContact CB-CZ 4.13Å; A375-F472 WeakPolarHBondContact O-CE2 3.24Å; A375-F472 WeakPolarHBondContact O-CZ 3.42Å; F460-F472 WeakPolarHBondContact O-CA 3.37Å; F460-F472 WeakPolarHBondContact O-CB 3.16Å; I461-F472 HydrophobicContact CG2-CD2 4.24Å; I461-F472 HydrophobicContact CG2-CE2 4.06Å; K462-F472 WeakPolarHBondContact O-CB 3.35Å; T463-F472 HydrophobicContact CG2-CD1 3.7Å; T463-F472 HydrophobicContact CG2-CE1 3.75Å; G469-F472 PolarHBondContact O-N 3.27Å; G469-F472 VanDerWaalsContact O-N 3.11Å; F472-H474 PolarHBondContact O-N 3.21Å; F472-I475 PolarHBondContact O-N 3.18Å; F472-I475 VanDerWaalsContact O-N 3.08Å; F472-I476 HydrophobicContact CD2-CG1 4.31Å; F472-I476 HydrophobicContact CE1-CG1 4.32Å; F472-I476 HydrophobicContact CE2-CD1 3.82Å; F472-I476 HydrophobicContact CE2-CG1 3.99Å; F472-I476 HydrophobicContact CZ-CD1 3.83Å; F472-I476 HydrophobicContact CZ-CG1 4Å; F472-I476 WeakPolarHBondContact O-CG1 3.46Å; F472-I476 PolarHBondContact O-N 2.77Å; F472-L495 HydrophobicContact CE1-CD2 4.3Å; F472-W511 HydrophobicContact CD1-CH2 4.21Å; F472-W511 AromaticContact CD1-CZ2 3.53Å; F472-W511 HydrophobicContact CD1-CZ2 3.53Å; F472-W511 HydrophobicContact CE1-CH2 4.11Å; F472-W511 AromaticContact CE1-CZ2 3.9Å; F472-W511 HydrophobicContact CE1-CZ2 3.9Å; F472-W511 HydrophobicContact CG-CZ2 4.37Å
473	G	97.4	Very high	96	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.2	-32	173.8	0	0	0	0	0	113.4	G469 K477	G469-G473 PolarHBondContact O-N 2.99Å; G473-K477 WeakPolarHBondContact O-CE 3.38Å; G473-K477 WeakPolarHBondContact O-CG 3.5Å; G473-K477 PolarHBondContact O-N 3.48Å
474	H	97.4	Very high	95.9	Very high	58 Å²	58	37.3 Å²	37.3	27%	0.269	18%	0.183	S	C	.	.	H	α-helix	trans	-72.8	-38.2	172.1	-74.4	-169.8	0	0	0	113.3	F387 K470 Y471 F472 K477 E478	F387-H474 HydrophobicContact CE2-CB 3.75Å; F387-H474 HydrophobicContact CZ-CB 3.72Å; K470-H474 PolarHBondContact O-CD2 3.4Å; K470-H474 VanDerWaalsContact O-CG 3.3Å; K470-H474 PolarHBondContact O-N 3.47Å; K470-H474 VanDerWaalsContact O-N 3.09Å; Y471-H474 WeakPolarHBondContact O-CB 3.44Å; Y471-H474 PolarHBondContact O-N 2.83Å; F472-H474 PolarHBondContact O-N 3.21Å; H474-K477 PolarHBondContact O-N 2.89Å; H474-E478 PolarHBondContact O-N 3.07Å
475	I	97.6	Very high	95.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.6	-48.9	175.8	-68.9	162.8	0	0	0	110	M379 L384 F387 F460 Y471 F472 K477 E478 V479	M379-I475 HydrophobicContact CB-CG2 4.39Å; M379-I475 HydrophobicContact CE-CG2 4.12Å; M379-I475 HydrophobicContact CG-CG2 3.82Å; M379-I475 HydrophobicContact SD-CG2 3.71Å; L384-I475 HydrophobicContact CD1-CD1 3.99Å; F387-I475 HydrophobicContact CB-CG1 4.25Å; F387-I475 HydrophobicContact CD1-CD1 3.88Å; F387-I475 HydrophobicContact CD1-CG1 3.79Å; F387-I475 HydrophobicContact CD2-CB 4.46Å; F387-I475 HydrophobicContact CD2-CD1 4.35Å; F387-I475 HydrophobicContact CD2-CG1 3.38Å; F387-I475 HydrophobicContact CE1-CD1 4.16Å; F387-I475 HydrophobicContact CE1-CG1 3.98Å; F387-I475 HydrophobicContact CE2-CG1 3.59Å; F387-I475 HydrophobicContact CG-CD1 4.01Å; F387-I475 HydrophobicContact CG-CG1 3.52Å; F387-I475 HydrophobicContact CZ-CG1 3.9Å; F460-I475 WeakPolarHBondContact O-CD1 3.3Å; Y471-I475 WeakPolarHBondContact O-CG1 3.24Å; Y471-I475 PolarHBondContact O-N 2.89Å; F472-I475 PolarHBondContact O-N 3.18Å; F472-I475 VanDerWaalsContact O-N 3.08Å; I475-K477 VanDerWaalsContact C-N 3.28Å; I475-K477 PolarHBondContact O-N 3.19Å; I475-E478 WeakPolarHBondContact O-CB 3.26Å; I475-E478 PolarHBondContact O-N 3.3Å; I475-V479 PolarHBondContact O-N 3.39Å; I475-V479 VanDerWaalsContact O-N 3.08Å
476	I	97.6	Very high	95.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-57.4	-41.5	177.8	-64	-60.6	0	0	0	111.2	C378 F472 E478 V479 M480 W511 V517 W524	C378-I476 WeakPolarHBondContact SG-CD1 3.46Å; F472-I476 HydrophobicContact CD2-CG1 4.31Å; F472-I476 HydrophobicContact CE1-CG1 4.32Å; F472-I476 HydrophobicContact CE2-CD1 3.82Å; F472-I476 HydrophobicContact CE2-CG1 3.99Å; F472-I476 HydrophobicContact CZ-CD1 3.83Å; F472-I476 HydrophobicContact CZ-CG1 4Å; F472-I476 WeakPolarHBondContact O-CG1 3.46Å; F472-I476 PolarHBondContact O-N 2.77Å; I476-E478 VanDerWaalsContact C-N 3.31Å; I476-E478 PolarHBondContact O-N 3.14Å; I476-V479 WeakPolarHBondContact O-CB 3.3Å; I476-V479 PolarHBondContact O-N 2.93Å; I476-V479 VanDerWaalsContact O-N 3.14Å; I476-M480 HydrophobicContact CG2-CE 3.78Å; I476-M480 HydrophobicContact CG2-CG 4.36Å; I476-M480 HydrophobicContact CG2-SD 3.91Å; I476-M480 WeakPolarHBondContact O-CG 3.35Å; I476-M480 PolarHBondContact O-N 3.19Å; I476-W511 HydrophobicContact CG1-CH2 4.47Å; I476-W511 HydrophobicContact CG1-CZ2 4.47Å; I476-V517 HydrophobicContact CB-CG1 4.05Å; I476-V517 HydrophobicContact CG2-CG1 3.44Å; I476-V517 VanDerWaalsContact CG2-CG1 3.44Å; I476-W524 HydrophobicContact CG2-CH2 4.05Å
477	K	97.4	Very high	95.3	Very high	74 Å²	74	40.7 Å²	40.7	32%	0.322	20%	0.202	S	C	.	.	H	α-helix	trans	-66.1	-28	175.9	-75.1	-174.4	-59.9	-172.4	0	114.2	G473 H474 I475 M480 A481 H515 Q516	G473-K477 WeakPolarHBondContact O-CE 3.38Å; G473-K477 WeakPolarHBondContact O-CG 3.5Å; G473-K477 PolarHBondContact O-N 3.48Å; H474-K477 PolarHBondContact O-N 2.89Å; I475-K477 VanDerWaalsContact C-N 3.28Å; I475-K477 PolarHBondContact O-N 3.19Å; K477-M480 HydrophobicContact CG-SD 4.35Å; K477-A481 WeakPolarHBondContact O-CB 3.34Å; K477-A481 PolarHBondContact O-N 2.82Å; K477-H515 WeakPolarHBondContact CE-O 3.49Å; K477-H515 PolarHBondContact NZ-O 3.09Å; K477-Q516 WeakPolarHBondContact CD-O 3.19Å
478	E	97.1	Very high	95.2	Very high	49 Å²	49	42.4 Å²	42.4	23%	0.229	21%	0.208	C	C	.	.	H	α-helix	trans	-71.9	-36.7	170.3	-68.3	-169.1	148.1	0	0	112.1	H383 R390 H474 I475 I476 A481 D482	H383-E478 IonicContact CD2-OE2 3.73Å; H383-E478 IonicContact CE1-OE2 3.69Å; H383-E478 WeakPolarHBondContact NE2-CB 3.3Å; H383-E478 IonicContact NE2-OE2 3.7Å; H383-E478 PolarHBondContact NE2-OE2 3.09Å; R390-E478 IonicContact CZ-OE1 3.74Å; R390-E478 IonicContact CZ-OE2 3.11Å; R390-E478 IonicContact NH1-OE1 3.46Å; R390-E478 PolarHBondContact NH1-OE1 2.73Å; R390-E478 IonicContact NH1-OE2 2.67Å; R390-E478 IonicContact NH2-OE1 2.86Å; R390-E478 PolarHBondContact NH2-OE1 2.72Å; R390-E478 IonicContact NH2-OE2 2.73Å; R390-E478 PolarHBondContact NH2-OE2 3.23Å; H474-E478 PolarHBondContact O-N 3.07Å; I475-E478 WeakPolarHBondContact O-CB 3.26Å; I475-E478 PolarHBondContact O-N 3.3Å; I476-E478 VanDerWaalsContact C-N 3.31Å; I476-E478 PolarHBondContact O-N 3.14Å; E478-A481 PolarHBondContact O-N 3.4Å; E478-D482 PolarHBondContact O-N 2.73Å
479	V	96.4	Very high	95.2	Very high	19 Å²	19	38.7 Å²	38.7	12%	0.115	19%	0.191	C	C	.	.	H	α-helix	trans	-65.5	-42.5	172.9	177.9	0	0	0	0	110.9	M379 I475 I476 A481 D482 L483	M379-V479 HydrophobicContact CB-CG2 3.87Å; I475-V479 PolarHBondContact O-N 3.39Å; I475-V479 VanDerWaalsContact O-N 3.08Å; I476-V479 WeakPolarHBondContact O-CB 3.3Å; I476-V479 PolarHBondContact O-N 2.93Å; I476-V479 VanDerWaalsContact O-N 3.14Å; V479-A481 PolarHBondContact O-N 3.46Å; V479-D482 PolarHBondContact O-N 2.88Å; V479-L483 HydrophobicContact CG1-CD1 4.21Å; V479-L483 WeakPolarHBondContact O-CG 3.3Å; V479-L483 PolarHBondContact O-N 2.96Å
480	M	96.5	Very high	95.3	Very high	5 Å²	5	38.7 Å²	38.7	3%	0.025	19%	0.191	C	C	.	.	H	α-helix	trans	-58.4	-46	173.8	-74.1	168.3	163.6	0	0	112.1	I476 K477 D482 L483 E484 V517 V522 W524	I476-M480 HydrophobicContact CG2-CE 3.78Å; I476-M480 HydrophobicContact CG2-CG 4.36Å; I476-M480 HydrophobicContact CG2-SD 3.91Å; I476-M480 WeakPolarHBondContact O-CG 3.35Å; I476-M480 PolarHBondContact O-N 3.19Å; K477-M480 HydrophobicContact CG-SD 4.35Å; M480-D482 PolarHBondContact O-N 3.04Å; M480-L483 WeakPolarHBondContact O-CB 3.23Å; M480-L483 PolarHBondContact O-N 2.89Å; M480-E484 WeakPolarHBondContact O-CG 3.24Å; M480-E484 PolarHBondContact O-N 3.18Å; M480-V517 HydrophobicContact CE-CG1 3.94Å; M480-V517 HydrophobicContact SD-CG1 4.22Å; M480-V522 HydrophobicContact CE-CB 3.96Å; M480-V522 HydrophobicContact CE-CG1 3.94Å; M480-V522 HydrophobicContact CE-CG2 3.81Å; M480-V522 HydrophobicContact CG-CG2 3.82Å; M480-W524 HydrophobicContact CE-CH2 4.21Å; M480-W524 HydrophobicContact CE-CZ2 3.79Å
481	A	96.3	Very high	95.4	Very high	51 Å²	51	36.8 Å²	36.8	42%	0.421	18%	0.183	S	C	.	.	H	α-helix	trans	-63.2	-39.1	177	0	0	0	0	0	112.6	K477 E478 V479 E484 E485	K477-A481 WeakPolarHBondContact O-CB 3.34Å; K477-A481 PolarHBondContact O-N 2.82Å; E478-A481 PolarHBondContact O-N 3.4Å; V479-A481 PolarHBondContact O-N 3.46Å; A481-E484 PolarHBondContact O-N 3.14Å; A481-E485 WeakPolarHBondContact O-CB 3.16Å; A481-E485 PolarHBondContact O-N 2.83Å
482	D	94.3	Very high	95.4	Very high	41 Å²	41	36.8 Å²	36.8	22%	0.219	18%	0.183	C	C	.	.	H	α-helix	trans	-65.6	-35.7	175	-78.2	-23.1	0	0	0	112	E478 V479 M480 S486 K727	E478-D482 PolarHBondContact O-N 2.73Å; V479-D482 PolarHBondContact O-N 2.88Å; M480-D482 PolarHBondContact O-N 3.04Å; D482-S486 WeakPolarHBondContact O-CB 3.27Å; D482-S486 PolarHBondContact O-N 2.82Å; D482-S486 VanDerWaalsContact O-N 3.07Å; D482-K727 WeakPolarHBondContact OD1-CE 3.49Å; D482-K727 IonicContact OD1-NZ 3.01Å; D482-K727 PolarHBondContact OD1-NZ 2.92Å; D482-K727 WeakPolarHBondContact OD2-CE 3.31Å; D482-K727 IonicContact OD2-NZ 2.7Å
483	L	94	Very high	95.4	Very high	17 Å²	17	36.7 Å²	36.7	9%	0.089	18%	0.183	C	C	.	.	H	α-helix	trans	-69.5	-40.3	174.2	-71.2	166.9	0	0	0	112.6	V479 M480 S486 K487 Q489 V491 N521 V522	V479-L483 HydrophobicContact CG1-CD1 4.21Å; V479-L483 WeakPolarHBondContact O-CG 3.3Å; V479-L483 PolarHBondContact O-N 2.96Å; M480-L483 WeakPolarHBondContact O-CB 3.23Å; M480-L483 PolarHBondContact O-N 2.89Å; L483-S486 PolarHBondContact O-N 2.88Å; L483-K487 PolarHBondContact O-N 3.06Å; L483-Q489 HydrophobicContact CD2-CB 3.88Å; L483-V491 HydrophobicContact CD1-CB 4.45Å; L483-V491 HydrophobicContact CD1-CG1 3.91Å; L483-V491 HydrophobicContact CD1-CG2 3.6Å; L483-V491 HydrophobicContact CD2-CG1 3.96Å; L483-N521 HydrophobicContact CB-CB 4.35Å; L483-N521 PolarHBondContact O-ND2 2.82Å; L483-V522 HydrophobicContact CD1-CG2 4.26Å
484	E	93.1	Very high	95.4	Very high	92 Å²	92	37 Å²	37	43%	0.43	18%	0.184	S	C	.	.	H	α-helix	trans	-66.3	-38.5	175.9	-73.4	169.3	-175.7	0	0	111.8	M480 A481 K487 S519	M480-E484 WeakPolarHBondContact O-CG 3.24Å; M480-E484 PolarHBondContact O-N 3.18Å; A481-E484 PolarHBondContact O-N 3.14Å; E484-K487 WeakPolarHBondContact O-CG 3.38Å; E484-K487 PolarHBondContact O-N 2.71Å; E484-S519 VanDerWaalsContact OE1-CB 3.23Å; E484-S519 WeakPolarHBondContact OE1-CB 3.19Å; E484-S519 PolarHBondContact OE1-OG 3.5Å
485	E	92.1	Very high	95.4	Very high	136 Å²	136	34.5 Å²	34.5	64%	0.636	17%	0.173	S	C	*	.	H	α-helix	trans	-62.2	-45.9	171.8	-178.1	179.8	-139.4	0	0	111.7	A481 K487 K727	A481-E485 WeakPolarHBondContact O-CB 3.16Å; A481-E485 PolarHBondContact O-N 2.83Å; E485-K487 PolarHBondContact O-N 3.28Å; E485-K727 IonicContact OE2-NZ 2.65Å; E485-K727 PolarHBondContact OE2-NZ 3.21Å; E485-K727 VanDerWaalsContact OE2-NZ 3.1Å
486	S	88.1	Confident	95.4	Very high	34 Å²	34	35.8 Å²	35.8	24%	0.238	18%	0.182	C	C	.	.	H	α-helix	trans	-68.9	-19.7	178	-169.4	0	0	0	0	113.2	D482 L483 Y488 Q489 E728	D482-S486 WeakPolarHBondContact O-CB 3.27Å; D482-S486 PolarHBondContact O-N 2.82Å; D482-S486 VanDerWaalsContact O-N 3.07Å; L483-S486 PolarHBondContact O-N 2.88Å; S486-Y488 PolarHBondContact O-N 3.37Å; S486-Q489 PolarHBondContact OG-NE2 3.16Å; S486-E728 PolarHBondContact OG-OE1 2.91Å
487	K	88.3	Confident	95.4	Very high	116 Å²	116	35.9 Å²	35.9	50%	0.504	18%	0.182	S	C	.	.			trans	63.7	-48.9	178.2	-63.1	174.4	-177.7	178.1	0	116.3	R367 L483 E484 E485 N521	R367-K487 PolarHBondContact NH1-O 3.19Å; R367-K487 PolarHBondContact NH2-O 3.21Å; L483-K487 PolarHBondContact O-N 3.06Å; E484-K487 WeakPolarHBondContact O-CG 3.38Å; E484-K487 PolarHBondContact O-N 2.71Å; E485-K487 PolarHBondContact O-N 3.28Å; K487-N521 PolarHBondContact O-ND2 3.47Å
488	Y	93.6	Very high	95.3	Very high	49 Å²	49	34.6 Å²	34.6	19%	0.192	18%	0.176	C	C	.	.	S	Bend	trans	-95.3	-9.3	-166.6	-62	-75.2	0	0	0	114.8	H252 N365 K368 S486	H252-Y488 AromaticContact CE1-CE1 3.95Å; N365-Y488 HydrophobicContact CB-CD2 4.43Å; N365-Y488 HydrophobicContact CB-CE1 4.3Å; N365-Y488 HydrophobicContact CB-CE2 3.87Å; N365-Y488 VanDerWaalsContact O-CD1 3.24Å; N365-Y488 WeakPolarHBondContact O-CD1 3.4Å; N365-Y488 WeakPolarHBondContact O-CE1 3.43Å; K368-Y488 PolarHBondContact N-O 3.1Å; K368-Y488 VanDerWaalsContact N-O 3.11Å; S486-Y488 PolarHBondContact O-N 3.37Å
489	Q	94.9	Very high	95.3	Very high	17 Å²	17	32.3 Å²	32.3	8%	0.079	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	130.6	174.6	-72.9	168.8	73.8	0	0	110.2	K368 L483 S486 N521 E728	K368-Q489 HydrophobicContact CG-CG 4.32Å; L483-Q489 HydrophobicContact CD2-CB 3.88Å; S486-Q489 PolarHBondContact OG-NE2 3.16Å; Q489-N521 PolarHBondContact O-ND2 2.7Å; Q489-E728 PolarHBondContact NE2-OE1 2.93Å
490	N	97.3	Very high	95.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	156.7	-179.3	-76.2	81.7	0	0	0	108.2	R367 K368 V369 D370 N521 F761 W769	R367-N490 PolarHBondContact NH1-OD1 3.41Å; K368-N490 PolarHBondContact O-N 3.24Å; V369-N490 CarbonylContact C-O 3.51Å; V369-N490 VanDerWaalsContact CA-O 3.31Å; V369-N490 WeakPolarHBondContact CA-O 3.28Å; V369-N490 HydrophobicContact CB-CB 4.47Å; V369-N490 HydrophobicContact CG2-CB 3.95Å; D370-N490 PolarHBondContact N-O 3.18Å; N490-N521 CarbonylContact C-O 3.19Å; N490-N521 WeakPolarHBondContact CA-O 3.31Å; N490-N521 WeakPolarHBondContact ND2-CA 3.39Å; N490-F761 HydrophobicContact CB-CE2 4.04Å; N490-F761 HydrophobicContact CB-CZ 4.01Å; N490-W769 HydrophobicContact CB-CH2 4.44Å; N490-W769 WeakPolarHBondContact ND2-CH2 3.4Å; N490-W769 WeakPolarHBondContact ND2-CZ2 3.42Å
491	V	97.8	Very high	95.3	Very high	10 Å²	10	38 Å²	38	6%	0.061	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	149.1	-175.6	-58.9	0	0	0	0	113.4	D370 I373 L483 L493 N521 V522 R523	D370-V491 HydrophobicContact CB-CB 4.3Å; D370-V491 HydrophobicContact CB-CG1 3.88Å; I373-V491 HydrophobicContact CG2-CB 4.19Å; L483-V491 HydrophobicContact CD1-CB 4.45Å; L483-V491 HydrophobicContact CD1-CG1 3.91Å; L483-V491 HydrophobicContact CD1-CG2 3.6Å; L483-V491 HydrophobicContact CD2-CG1 3.96Å; V491-L493 HydrophobicContact CG2-CD1 4.33Å; V491-L493 HydrophobicContact CG2-CD2 4.16Å; V491-L493 HydrophobicContact CG2-CG 3.83Å; V491-N521 PolarHBondContact N-O 3.15Å; V491-V522 HydrophobicContact CG2-CB 4.34Å; V491-V522 HydrophobicContact CG2-CG1 4.34Å; V491-V522 HydrophobicContact CG2-CG2 3.71Å; V491-V522 WeakPolarHBondContact O-CA 3.43Å; V491-R523 PolarHBondContact O-N 2.86Å
492	E	98	Very high	95.2	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	82.4	171.6	-60.3	-162.1	120.2	0	0	110.8	V369 D370 R494 R523 L525 R639 G760	V369-E492 HydrophobicContact CG1-CG 3.88Å; D370-E492 PolarHBondContact O-N 2.82Å; E492-R494 PolarHBondContact O-NH1 3.1Å; E492-R523 CarbonylContact C-O 3.57Å; E492-R523 WeakPolarHBondContact CA-O 3.44Å; E492-L525 HydrophobicContact CB-CD1 3.81Å; E492-L525 HydrophobicContact CG-CD1 4.48Å; E492-R639 IonicContact OE1-NH1 2.84Å; E492-R639 PolarHBondContact OE1-NH1 2.78Å; E492-R639 IonicContact OE2-NH1 3.52Å; E492-R639 PolarHBondContact OE2-NH1 3.23Å; E492-G760 WeakPolarHBondContact OE1-CA 3.05Å; E492-G760 PolarHBondContact OE1-N 3.41Å
493	L	97.9	Very high	95.3	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	132	-174.8	-66.7	178.4	0	0	0	111.5	I373 A375 C378 V491 V522 R523 W524 L525	I373-L493 HydrophobicContact CB-CD2 4.48Å; I373-L493 HydrophobicContact CD1-CD2 3.91Å; I373-L493 HydrophobicContact CG1-CD2 3.91Å; I373-L493 HydrophobicContact CG2-CD2 3.9Å; A375-L493 HydrophobicContact CB-CB 4.21Å; C378-L493 HydrophobicContact CB-CD2 3.57Å; V491-L493 HydrophobicContact CG2-CD1 4.33Å; V491-L493 HydrophobicContact CG2-CD2 4.16Å; V491-L493 HydrophobicContact CG2-CG 3.83Å; L493-V522 HydrophobicContact CB-CG1 4.47Å; L493-V522 HydrophobicContact CD1-CG1 3.85Å; L493-V522 HydrophobicContact CG-CG1 4.16Å; L493-R523 PolarHBondContact N-O 2.9Å; L493-W524 HydrophobicContact CB-CE3 3.62Å; L493-W524 HydrophobicContact CB-CH2 4.41Å; L493-W524 HydrophobicContact CB-CZ3 3.43Å; L493-W524 VanDerWaalsContact CB-CZ3 3.43Å; L493-W524 HydrophobicContact CD1-CH2 3.84Å; L493-W524 HydrophobicContact CD1-CZ3 3.65Å; L493-W524 HydrophobicContact CG-CZ3 4.18Å; L493-W524 WeakPolarHBondContact O-CA 3.27Å; L493-L525 PolarHBondContact O-N 2.93Å
494	R	98.3	Very high	95.5	Very high	6 Å²	6	42.5 Å²	42.5	2%	0.023	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	126.5	177	-66.4	155.3	167.9	71	-13.5	112.9	T371 H372 I373 A375 E492 L525 Q527 D579 S662	T371-R494 PolarHBondContact O-NH1 2.94Å; T371-R494 PolarHBondContact O-NH2 3.35Å; T371-R494 VanDerWaalsContact O-NH2 3.11Å; H372-R494 PolarHBondContact CD2-NE 2.79Å; H372-R494 PolarHBondContact CD2-NH2 3.08Å; I373-R494 PolarHBondContact O-N 3.13Å; A375-R494 WeakPolarHBondContact CB-O 3.19Å; A375-R494 PolarHBondContact N-O 3.18Å; E492-R494 PolarHBondContact O-NH1 3.1Å; R494-L525 CarbonylContact C-O 3.5Å; R494-L525 WeakPolarHBondContact CA-O 3.45Å; R494-L525 HydrophobicContact CG-CB 3.78Å; R494-Q527 HydrophobicContact CB-CB 4.41Å; R494-Q527 HydrophobicContact CB-CG 4.44Å; R494-D579 WeakPolarHBondContact CD-OD2 3.41Å; R494-D579 IonicContact CZ-OD2 2.76Å; R494-D579 IonicContact NE-OD2 3.47Å; R494-D579 PolarHBondContact NE-OD2 3.37Å; R494-D579 IonicContact NH2-OD2 3.96Å; R494-S662 PolarHBondContact NH2-OG 2.85Å; R494-S662 VanDerWaalsContact NH2-OG 3.14Å
495	L	97.6	Very high	95.7	Very high	6 Å²	6	38.1 Å²	38.1	3%	0.031	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	138.2	175.8	-72.8	166.7	0	0	0	110.4	A375 T463 F472 L508 W511 W524 L525 V526 Q527 F571	A375-L495 HydrophobicContact CB-CD2 3.71Å; A375-L495 HydrophobicContact CB-CG 4.18Å; T463-L495 HydrophobicContact CG2-CD2 4.2Å; F472-L495 HydrophobicContact CE1-CD2 4.3Å; L495-L508 HydrophobicContact CB-CD1 4.47Å; L495-L508 HydrophobicContact CB-CD2 4.19Å; L495-L508 HydrophobicContact CD1-CD1 4.2Å; L495-L508 HydrophobicContact CD1-CD2 4.5Å; L495-L508 HydrophobicContact CD2-CD1 4.41Å; L495-W511 HydrophobicContact CD1-CZ3 4.03Å; L495-W511 HydrophobicContact CD2-CH2 4.3Å; L495-W511 HydrophobicContact CD2-CZ3 4.18Å; L495-W524 HydrophobicContact CD1-CD2 3.71Å; L495-W524 HydrophobicContact CD1-CE3 3.27Å; L495-W524 HydrophobicContact CD1-CG 4.35Å; L495-W524 HydrophobicContact CD1-CH2 4.17Å; L495-W524 HydrophobicContact CD1-CZ3 3.53Å; L495-W524 HydrophobicContact CD2-CZ3 4.21Å; L495-W524 HydrophobicContact CG-CE3 3.66Å; L495-W524 HydrophobicContact CG-CZ3 3.75Å; L495-L525 PolarHBondContact N-O 3.31Å; L495-V526 CarbonylContact O-C 3.46Å; L495-V526 WeakPolarHBondContact O-CA 3.48Å; L495-Q527 PolarHBondContact O-N 3.2Å; L495-F571 HydrophobicContact CD1-CE2 4.32Å; L495-F571 HydrophobicContact CD1-CZ 3.88Å
496	S	96.5	Very high	96	Very high	27 Å²	27	32.8 Å²	32.8	19%	0.189	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	132.4	-177	-49.6	0	0	0	0	113.3	Q527	S496-Q527 WeakPolarHBondContact CA-O 3.33Å; S496-Q527 PolarHBondContact OG-NE2 2.56Å
497	I	97.9	Very high	96.4	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	17%	0.165	C	C	.	.			trans	-115.6	125.7	155.8	-67.8	-68.9	0	0	0	107	E504 W505 L508 V526 Q527 P529 V551	I497-E504 HydrophobicContact CD1-CB 3.9Å; I497-E504 HydrophobicContact CG2-CB 4.46Å; I497-W505 HydrophobicContact CD1-CD2 4.09Å; I497-W505 HydrophobicContact CD1-CE3 4.38Å; I497-W505 HydrophobicContact CD1-CG 4.27Å; I497-W505 HydrophobicContact CG1-CD2 4.11Å; I497-W505 HydrophobicContact CG1-CE3 4.37Å; I497-W505 HydrophobicContact CG1-CH2 4.49Å; I497-W505 HydrophobicContact CG1-CZ2 4.17Å; I497-L508 HydrophobicContact CD1-CB 4.23Å; I497-L508 HydrophobicContact CD1-CD2 3.77Å; I497-L508 HydrophobicContact CG1-CD2 4.1Å; I497-V526 HydrophobicContact CB-CG1 3.8Å; I497-V526 HydrophobicContact CG1-CG1 3.55Å; I497-Q527 PolarHBondContact N-O 3.12Å; I497-P529 WeakPolarHBondContact O-CD 3.5Å; I497-V551 HydrophobicContact CG2-CG2 4.36Å
498	Y	96.3	Very high	96.9	Very high	47 Å²	47	30.3 Å²	30.3	18%	0.184	14%	0.142	C	C	.	.			trans	-94.4	-11.2	-172.5	-59.8	-76.9	0	0	0	113.6	K462 R500 E504 P529 Y535	K462-Y498 PolarHBondContact NZ-OH 3.17Å; Y498-R500 VanDerWaalsContact C-N 3.27Å; Y498-R500 PolarHBondContact O-N 2.81Å; Y498-E504 WeakPolarHBondContact CB-OE2 3.49Å; Y498-E504 WeakPolarHBondContact CD2-OE2 3.44Å; Y498-E504 PolarHBondContact N-OE2 2.95Å; Y498-P529 HydrophobicContact CD1-CG 3.77Å; Y498-P529 HydrophobicContact CE1-CG 3.82Å; Y498-Y535 WeakPolarHBondContact CD1-OH 2.98Å; Y498-Y535 WeakPolarHBondContact O-CE2 3.12Å
499	G	96.5	Very high	97	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	67.6	22.3	-178.7	0	0	0	0	0	114.2	N550	G499-N550 WeakPolarHBondContact O-CB 3.38Å; G499-N550 PolarHBondContact O-ND2 3.39Å
500	R	95.6	Very high	97.1	Very high	92 Å²	92	31.5 Å²	31.5	35%	0.347	15%	0.148	S	C	.	.	S	Bend	trans	-89.3	-19.2	178.5	-52.9	169.3	-62.7	152.7	0.6	112.5	Y498 E504 Y535 N550	Y498-R500 VanDerWaalsContact C-N 3.27Å; Y498-R500 PolarHBondContact O-N 2.81Å; R500-E504 WeakPolarHBondContact CA-OE1 3.23Å; R500-E504 VanDerWaalsContact CB-OE1 3.29Å; R500-E504 WeakPolarHBondContact CB-OE1 3.36Å; R500-E504 PolarHBondContact N-OE1 3.34Å; R500-E504 IonicContact NE-OE1 2.68Å; R500-E504 PolarHBondContact NE-OE1 2.95Å; R500-E504 IonicContact NH2-OE1 3.55Å; R500-Y535 HydrophobicContact CG-CD1 4.04Å; R500-Y535 HydrophobicContact CG-CD2 3.67Å; R500-Y535 HydrophobicContact CG-CE1 4.19Å; R500-Y535 HydrophobicContact CG-CE2 3.79Å; R500-Y535 HydrophobicContact CG-CG 3.82Å; R500-N550 VanDerWaalsContact C-ND2 3.3Å; R500-N550 PolarHBondContact O-ND2 2.93Å
501	S	96.4	Very high	97.1	Very high	52 Å²	52	31.8 Å²	31.8	36%	0.364	15%	0.149	S	C	.	.			trans	-155.3	139.6	175.6	-174.5	0	0	0	0	111.1	N503 E504 N550	S501-N503 PolarHBondContact O-N 3.33Å; S501-N503 VanDerWaalsContact O-N 3.12Å; S501-E504 PolarHBondContact N-OE1 2.65Å; S501-E504 WeakPolarHBondContact O-CB 3.48Å; S501-E504 WeakPolarHBondContact O-CG 3.37Å; S501-E504 PolarHBondContact O-N 2.9Å; S501-N550 PolarHBondContact N-ND2 3.39Å
502	R	95.3	Very high	97	Very high	88 Å²	88	31.3 Å²	31.3	33%	0.332	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-33.3	173.2	-55.6	-170.7	180	154.5	0.6	112.8	E504 E549 N550 P554	R502-E504 PolarHBondContact O-N 2.83Å; R502-E549 IonicContact CZ-OE2 3.25Å; R502-E549 IonicContact NH2-OE2 2.66Å; R502-E549 PolarHBondContact NH2-OE2 2.82Å; R502-N550 WeakPolarHBondContact CG-OD1 3.36Å; R502-N550 PolarHBondContact N-OD1 2.94Å; R502-P554 HydrophobicContact CB-CG 4.16Å; R502-P554 WeakPolarHBondContact O-CG 3.31Å
503	N	96.4	Very high	96.9	Very high	96 Å²	96	31.4 Å²	31.4	51%	0.513	15%	0.147	S	C	.	.	H	α-helix	trans	-72.7	-5.1	-177.7	-61.9	2.7	0	0	0	113.9	S501 W505 D506 K507	S501-N503 PolarHBondContact O-N 3.33Å; S501-N503 VanDerWaalsContact O-N 3.12Å; N503-W505 VanDerWaalsContact C-N 3.31Å; N503-W505 PolarHBondContact O-N 3.49Å; N503-D506 PolarHBondContact O-N 3.48Å; N503-K507 WeakPolarHBondContact O-CB 3.5Å; N503-K507 VanDerWaalsContact O-CG 3.3Å; N503-K507 WeakPolarHBondContact O-CG 3.48Å; N503-K507 PolarHBondContact O-N 3.25Å
504	E	97.6	Very high	96.7	Very high	19 Å²	19	38.7 Å²	38.7	9%	0.089	17%	0.174	C	C	.	.	H	α-helix	trans	-61.9	-38.6	178.3	-73.4	-172.7	-139.8	0	0	112	I497 Y498 R500 S501 R502 K507 L508	I497-E504 HydrophobicContact CD1-CB 3.9Å; I497-E504 HydrophobicContact CG2-CB 4.46Å; Y498-E504 WeakPolarHBondContact CB-OE2 3.49Å; Y498-E504 WeakPolarHBondContact CD2-OE2 3.44Å; Y498-E504 PolarHBondContact N-OE2 2.95Å; R500-E504 WeakPolarHBondContact CA-OE1 3.23Å; R500-E504 VanDerWaalsContact CB-OE1 3.29Å; R500-E504 WeakPolarHBondContact CB-OE1 3.36Å; R500-E504 PolarHBondContact N-OE1 3.34Å; R500-E504 IonicContact NE-OE1 2.68Å; R500-E504 PolarHBondContact NE-OE1 2.95Å; R500-E504 IonicContact NH2-OE1 3.55Å; S501-E504 PolarHBondContact N-OE1 2.65Å; S501-E504 WeakPolarHBondContact O-CB 3.48Å; S501-E504 WeakPolarHBondContact O-CG 3.37Å; S501-E504 PolarHBondContact O-N 2.9Å; R502-E504 PolarHBondContact O-N 2.83Å; E504-K507 PolarHBondContact O-N 2.99Å; E504-L508 WeakPolarHBondContact O-CB 3.48Å; E504-L508 PolarHBondContact O-N 3.15Å
505	W	97.9	Very high	96.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.3	-48.9	175.8	-81	109	0	0	0	112.7	I497 N503 K507 L508 A509 V526 V551 P554 L555 L568 F571 L572 F578	I497-W505 HydrophobicContact CD1-CD2 4.09Å; I497-W505 HydrophobicContact CD1-CE3 4.38Å; I497-W505 HydrophobicContact CD1-CG 4.27Å; I497-W505 HydrophobicContact CG1-CD2 4.11Å; I497-W505 HydrophobicContact CG1-CE3 4.37Å; I497-W505 HydrophobicContact CG1-CH2 4.49Å; I497-W505 HydrophobicContact CG1-CZ2 4.17Å; N503-W505 VanDerWaalsContact C-N 3.31Å; N503-W505 PolarHBondContact O-N 3.49Å; W505-K507 VanDerWaalsContact C-N 3.3Å; W505-K507 PolarHBondContact O-N 3.45Å; W505-L508 PolarHBondContact O-N 2.89Å; W505-A509 WeakPolarHBondContact O-CB 3.36Å; W505-A509 PolarHBondContact O-N 3.36Å; W505-V526 HydrophobicContact CH2-CB 3.97Å; W505-V526 HydrophobicContact CH2-CG1 3.79Å; W505-V526 HydrophobicContact CH2-CG2 3.61Å; W505-V526 HydrophobicContact CZ2-CG1 3.98Å; W505-V526 HydrophobicContact CZ3-CG2 3.88Å; W505-V551 PolarHBondContact NE1-O 3.45Å; W505-P554 HydrophobicContact CB-CB 4.16Å; W505-P554 HydrophobicContact CG-CB 4.3Å; W505-L555 HydrophobicContact CD2-CD2 3.95Å; W505-L555 HydrophobicContact CE3-CD2 4.13Å; W505-L555 HydrophobicContact CH2-CD1 4.3Å; W505-L555 HydrophobicContact CH2-CD2 3.89Å; W505-L555 HydrophobicContact CZ2-CD1 3.71Å; W505-L555 HydrophobicContact CZ2-CD2 3.76Å; W505-L555 HydrophobicContact CZ2-CG 4.06Å; W505-L555 HydrophobicContact CZ3-CD2 4.09Å; W505-L568 HydrophobicContact CB-CD1 4.12Å; W505-L568 HydrophobicContact CB-CD2 4.01Å; W505-L568 HydrophobicContact CD2-CD1 4.24Å; W505-L568 HydrophobicContact CE3-CD1 3.56Å; W505-L568 HydrophobicContact CZ3-CD1 4.27Å; W505-F571 HydrophobicContact CZ3-CE1 4.37Å; W505-L572 HydrophobicContact CH2-CD2 4.48Å; W505-L572 HydrophobicContact CZ3-CD2 4.12Å; W505-F578 HydrophobicContact CH2-CE1 4.3Å; W505-F578 HydrophobicContact CZ2-CE1 4.01Å; W505-F578 HydrophobicContact CZ2-CZ 4.4Å
506	D	97.3	Very high	96.4	Very high	24 Å²	24	42.2 Å²	42.2	13%	0.128	19%	0.191	C	C	.	.	H	α-helix	trans	-58.1	-42.8	176.7	-76.4	-63.5	0	0	0	112	N503 K510 H565	N503-D506 PolarHBondContact O-N 3.48Å; D506-K510 WeakPolarHBondContact O-CB 3.4Å; D506-K510 WeakPolarHBondContact O-CD 3.4Å; D506-K510 WeakPolarHBondContact O-CG 3.3Å; D506-K510 PolarHBondContact O-N 2.61Å; D506-H565 IonicContact OD1-CE1 2.86Å; D506-H565 IonicContact OD1-CG 3.52Å; D506-H565 IonicContact OD1-ND1 3.63Å; D506-H565 PolarHBondContact OD1-ND1 3.21Å; D506-H565 IonicContact OD2-CE1 3.97Å; D506-H565 PolarHBondContact OD2-CE1 3.03Å; D506-H565 IonicContact OD2-ND1 2.86Å; D506-H565 PolarHBondContact OD2-ND1 3.25Å
507	K	97.2	Very high	96.4	Very high	94 Å²	94	40.9 Å²	40.9	41%	0.409	18%	0.182	S	C	.	.	H	α-helix	trans	-63.2	-45.2	176.8	-75.3	173.5	165.2	-137.7	0	111.8	D464 N503 E504 W505 W511	D464-K507 IonicContact OD1-NZ 3.79Å; D464-K507 PolarHBondContact OD1-NZ 2.8Å; D464-K507 IonicContact OD2-NZ 2.73Å; D464-K507 PolarHBondContact OD2-NZ 3.2Å; N503-K507 WeakPolarHBondContact O-CB 3.5Å; N503-K507 VanDerWaalsContact O-CG 3.3Å; N503-K507 WeakPolarHBondContact O-CG 3.48Å; N503-K507 PolarHBondContact O-N 3.25Å; E504-K507 PolarHBondContact O-N 2.99Å; W505-K507 VanDerWaalsContact C-N 3.3Å; W505-K507 PolarHBondContact O-N 3.45Å; K507-W511 WeakPolarHBondContact O-CB 3.42Å; K507-W511 PolarHBondContact O-N 3.47Å
508	L	97.8	Very high	96.2	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-65.4	-45.1	180	-174.7	63	0	0	0	111.6	T463 L495 I497 E504 W505 W511 A512 F571	T463-L508 HydrophobicContact CG2-CD1 3.74Å; L495-L508 HydrophobicContact CB-CD1 4.47Å; L495-L508 HydrophobicContact CB-CD2 4.19Å; L495-L508 HydrophobicContact CD1-CD1 4.2Å; L495-L508 HydrophobicContact CD1-CD2 4.5Å; L495-L508 HydrophobicContact CD2-CD1 4.41Å; I497-L508 HydrophobicContact CD1-CB 4.23Å; I497-L508 HydrophobicContact CD1-CD2 3.77Å; I497-L508 HydrophobicContact CG1-CD2 4.1Å; E504-L508 WeakPolarHBondContact O-CB 3.48Å; E504-L508 PolarHBondContact O-N 3.15Å; W505-L508 PolarHBondContact O-N 2.89Å; L508-W511 HydrophobicContact CD1-CE3 4.02Å; L508-W511 HydrophobicContact CD1-CZ3 4.42Å; L508-W511 WeakPolarHBondContact O-CB 3.5Å; L508-W511 PolarHBondContact O-N 2.74Å; L508-A512 PolarHBondContact O-N 2.98Å; L508-F571 HydrophobicContact CD2-CE1 3.99Å; L508-F571 HydrophobicContact CD2-CZ 4.22Å; L508-F571 HydrophobicContact CG-CE1 4.19Å; L508-F571 HydrophobicContact CG-CZ 4.3Å
509	A	97.1	Very high	96.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.8	-45.2	176.9	0	0	0	0	0	111.9	W505 W511 A512 V513 E567 L568 F571	W505-A509 WeakPolarHBondContact O-CB 3.36Å; W505-A509 PolarHBondContact O-N 3.36Å; A509-W511 VanDerWaalsContact C-N 3.31Å; A509-W511 PolarHBondContact O-N 3.13Å; A509-A512 PolarHBondContact O-N 2.76Å; A509-V513 WeakPolarHBondContact O-CB 3.34Å; A509-V513 WeakPolarHBondContact O-CG2 3.47Å; A509-V513 PolarHBondContact O-N 3.35Å; A509-E567 HydrophobicContact CB-CB 4.19Å; A509-L568 VanDerWaalsContact CB-CA 3.49Å; A509-L568 HydrophobicContact CB-CB 3.95Å; A509-L568 HydrophobicContact CB-CD1 4.1Å; A509-F571 HydrophobicContact CB-CB 3.99Å; A509-F571 HydrophobicContact CB-CD1 4.4Å; A509-F571 HydrophobicContact CB-CG 4.4Å
510	K	96.5	Very high	95.9	Very high	91 Å²	91	42.9 Å²	42.9	40%	0.396	19%	0.193	S	C	.	.	H	α-helix	trans	-60.8	-38.5	174.3	-78.3	164.6	-179.9	154.3	0	112.3	D506 R514 E567	D506-K510 WeakPolarHBondContact O-CB 3.4Å; D506-K510 WeakPolarHBondContact O-CD 3.4Å; D506-K510 WeakPolarHBondContact O-CG 3.3Å; D506-K510 PolarHBondContact O-N 2.61Å; K510-R514 WeakPolarHBondContact O-CB 3.33Å; K510-R514 PolarHBondContact O-N 3.25Å; K510-E567 VanDerWaalsContact CE-CD 3.46Å; K510-E567 WeakPolarHBondContact CE-OE1 3.17Å; K510-E567 HydrophobicContact CG-CB 4.27Å; K510-E567 HydrophobicContact CG-CG 4.06Å; K510-E567 WeakPolarHBondContact CG-OE1 3.49Å
511	W	97.4	Very high	95.8	Very high	7 Å²	7	39.3 Å²	39.3	3%	0.027	18%	0.181	C	C	.	.	H	α-helix	trans	-60.8	-49.6	172.3	166.8	85.5	0	0	0	111.7	T463 G469 F472 I476 L495 K507 L508 A509 H515 V517	T463-W511 HydrophobicContact CG2-CD2 3.62Å; T463-W511 HydrophobicContact CG2-CE3 3.75Å; T463-W511 HydrophobicContact CG2-CG 4.17Å; T463-W511 HydrophobicContact CG2-CH2 4.05Å; T463-W511 HydrophobicContact CG2-CZ2 3.93Å; T463-W511 HydrophobicContact CG2-CZ3 3.96Å; G469-W511 PolarHBondContact O-NE1 3.26Å; G469-W511 VanDerWaalsContact O-NE1 3.07Å; F472-W511 HydrophobicContact CD1-CH2 4.21Å; F472-W511 AromaticContact CD1-CZ2 3.53Å; F472-W511 HydrophobicContact CD1-CZ2 3.53Å; F472-W511 HydrophobicContact CE1-CH2 4.11Å; F472-W511 AromaticContact CE1-CZ2 3.9Å; F472-W511 HydrophobicContact CE1-CZ2 3.9Å; F472-W511 HydrophobicContact CG-CZ2 4.37Å; I476-W511 HydrophobicContact CG1-CH2 4.47Å; I476-W511 HydrophobicContact CG1-CZ2 4.47Å; L495-W511 HydrophobicContact CD1-CZ3 4.03Å; L495-W511 HydrophobicContact CD2-CH2 4.3Å; L495-W511 HydrophobicContact CD2-CZ3 4.18Å; K507-W511 WeakPolarHBondContact O-CB 3.42Å; K507-W511 PolarHBondContact O-N 3.47Å; L508-W511 HydrophobicContact CD1-CE3 4.02Å; L508-W511 HydrophobicContact CD1-CZ3 4.42Å; L508-W511 WeakPolarHBondContact O-CB 3.5Å; L508-W511 PolarHBondContact O-N 2.74Å; A509-W511 VanDerWaalsContact C-N 3.31Å; A509-W511 PolarHBondContact O-N 3.13Å; W511-H515 AromaticContact CD1-CD2 3.5Å; W511-H515 AromaticContact NE1-CD2 3.96Å; W511-H515 WeakPolarHBondContact O-CB 3.43Å; W511-H515 PolarHBondContact O-CD2 3.22Å; W511-H515 VanDerWaalsContact O-CD2 3.25Å; W511-H515 PolarHBondContact O-N 3.48Å; W511-H515 VanDerWaalsContact O-N 3.13Å; W511-V517 HydrophobicContact CH2-CB 4.42Å; W511-V517 HydrophobicContact CH2-CG1 3.96Å; W511-V517 HydrophobicContact CH2-CG2 4.34Å; W511-V517 HydrophobicContact CZ2-CG1 4.41Å; W511-V517 HydrophobicContact CZ2-CG2 4.2Å; W511-V517 HydrophobicContact CZ3-CG1 4.47Å
512	A	96.2	Very high	95.9	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.8	-48.3	-179	0	0	0	0	0	112.1	Y261 L508 A509 Q516 V517 F571	Y261-A512 HydrophobicContact CE2-CB 4.43Å; Y261-A512 WeakPolarHBondContact CE2-O 3.4Å; L508-A512 PolarHBondContact O-N 2.98Å; A509-A512 PolarHBondContact O-N 2.76Å; A512-Q516 WeakPolarHBondContact O-CA 3.35Å; A512-Q516 PolarHBondContact O-N 3.34Å; A512-Q516 VanDerWaalsContact O-N 3.11Å; A512-V517 PolarHBondContact O-N 3.33Å; A512-F571 HydrophobicContact CB-CD2 3.53Å; A512-F571 HydrophobicContact CB-CE2 3.84Å; A512-F571 HydrophobicContact CB-CG 4.36Å
513	V	94.7	Very high	95.9	Very high	3 Å²	3	34 Å²	34	2%	0.018	15%	0.153	C	C	.	.	H	α-helix	trans	-67.2	-52	179.6	169.3	0	0	0	0	111.3	Y261 Q264 A509 H515 Q516 E567 L570	Y261-V513 HydrophobicContact CD1-CG2 4.14Å; Y261-V513 HydrophobicContact CD2-CG2 4.27Å; Y261-V513 HydrophobicContact CG-CG2 4Å; Q264-V513 HydrophobicContact CG-CG1 4.36Å; Q264-V513 VanDerWaalsContact NE2-CG1 3.3Å; A509-V513 WeakPolarHBondContact O-CB 3.34Å; A509-V513 WeakPolarHBondContact O-CG2 3.47Å; A509-V513 PolarHBondContact O-N 3.35Å; V513-H515 VanDerWaalsContact C-N 3.35Å; V513-H515 PolarHBondContact O-N 3.42Å; V513-Q516 PolarHBondContact O-N 3.04Å; V513-Q516 PolarHBondContact O-NE2 2.85Å; V513-E567 HydrophobicContact CB-CB 4.24Å; V513-E567 HydrophobicContact CB-CG 4.31Å; V513-E567 HydrophobicContact CG1-CG 4.15Å; V513-E567 HydrophobicContact CG2-CB 3.92Å; V513-E567 HydrophobicContact CG2-CG 4.44Å; V513-L570 HydrophobicContact CG2-CB 4.49Å
514	R	94.1	Very high	96	Very high	154 Å²	154	29.5 Å²	29.5	58%	0.581	13%	0.129	S	C	*	.	H	α-helix	trans	-64.7	-36.4	-174.9	-176.5	169.2	172.7	-173.5	-16	113.5	E468 K510 Q516	E468-R514 IonicContact OE1-CZ 3.91Å; E468-R514 IonicContact OE1-NH1 3.07Å; E468-R514 PolarHBondContact OE1-NH1 3.07Å; E468-R514 IonicContact OE1-NH2 3.95Å; E468-R514 IonicContact OE2-CZ 2.94Å; E468-R514 IonicContact OE2-NH1 3.75Å; E468-R514 PolarHBondContact OE2-NH1 2.83Å; E468-R514 IonicContact OE2-NH2 3.6Å; E468-R514 PolarHBondContact OE2-NH2 3.47Å; K510-R514 WeakPolarHBondContact O-CB 3.33Å; K510-R514 PolarHBondContact O-N 3.25Å; R514-Q516 VanDerWaalsContact C-N 3.34Å
515	H	95.5	Very high	96	Very high	22 Å²	22	28.6 Å²	28.6	10%	0.102	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	2.3	176.8	-60.4	-62.9	0	0	0	113	E468 K470 K477 W511 V513 V517	E468-H515 PolarHBondContact O-NE2 2.88Å; K470-H515 VanDerWaalsContact CA-CE1 3.48Å; K470-H515 WeakPolarHBondContact CA-CE1 3.3Å; K477-H515 WeakPolarHBondContact CE-O 3.49Å; K477-H515 PolarHBondContact NZ-O 3.09Å; W511-H515 AromaticContact CD1-CD2 3.5Å; W511-H515 AromaticContact NE1-CD2 3.96Å; W511-H515 WeakPolarHBondContact O-CB 3.43Å; W511-H515 PolarHBondContact O-CD2 3.22Å; W511-H515 VanDerWaalsContact O-CD2 3.25Å; W511-H515 PolarHBondContact O-N 3.48Å; W511-H515 VanDerWaalsContact O-N 3.13Å; V513-H515 VanDerWaalsContact C-N 3.35Å; V513-H515 PolarHBondContact O-N 3.42Å; H515-V517 HydrophobicContact CB-CG2 3.69Å; H515-V517 PolarHBondContact O-N 2.86Å
516	Q	94.8	Very high	96.1	Very high	64 Å²	64	28.6 Å²	28.6	30%	0.299	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	53.1	-178.7	-56.8	-77.3	-64.7	0	0	111.4	H259 K477 A512 V513 R514 Y518	H259-Q516 PolarHBondContact CE1-OE1 3.01Å; H259-Q516 PolarHBondContact ND1-OE1 3.46Å; K477-Q516 WeakPolarHBondContact CD-O 3.19Å; A512-Q516 WeakPolarHBondContact O-CA 3.35Å; A512-Q516 PolarHBondContact O-N 3.34Å; A512-Q516 VanDerWaalsContact O-N 3.11Å; V513-Q516 PolarHBondContact O-N 3.04Å; V513-Q516 PolarHBondContact O-NE2 2.85Å; R514-Q516 VanDerWaalsContact C-N 3.34Å; Q516-Y518 PolarHBondContact O-N 2.78Å
517	V	95.5	Very high	96.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	12%	0.123	C	C	.	.			trans	-89.2	85.2	-176.2	-166.5	0	0	0	0	109.2	Y261 I476 M480 W511 A512 H515 W524	Y261-V517 PolarHBondContact OH-O 3.47Å; I476-V517 HydrophobicContact CB-CG1 4.05Å; I476-V517 HydrophobicContact CG2-CG1 3.44Å; I476-V517 VanDerWaalsContact CG2-CG1 3.44Å; M480-V517 HydrophobicContact CE-CG1 3.94Å; M480-V517 HydrophobicContact SD-CG1 4.22Å; W511-V517 HydrophobicContact CH2-CB 4.42Å; W511-V517 HydrophobicContact CH2-CG1 3.96Å; W511-V517 HydrophobicContact CH2-CG2 4.34Å; W511-V517 HydrophobicContact CZ2-CG1 4.41Å; W511-V517 HydrophobicContact CZ2-CG2 4.2Å; W511-V517 HydrophobicContact CZ3-CG1 4.47Å; A512-V517 PolarHBondContact O-N 3.33Å; H515-V517 HydrophobicContact CB-CG2 3.69Å; H515-V517 PolarHBondContact O-N 2.86Å; V517-W524 HydrophobicContact CG1-CH2 4.27Å; V517-W524 HydrophobicContact CG1-CZ2 4.04Å
518	Y	94.3	Very high	96.1	Very high	39 Å²	39	24 Å²	24	15%	0.153	11%	0.105	C	C	.	.			trans	-147.5	150.2	-177.8	171.2	-97.9	0	0	0	110.8	H259 P260 Q516 N520 H574	H259-Y518 AromaticContact NE2-CD1 3.83Å; P260-Y518 HydrophobicContact CG-CD1 3.96Å; P260-Y518 HydrophobicContact CG-CD2 4.13Å; P260-Y518 HydrophobicContact CG-CE1 3.64Å; P260-Y518 HydrophobicContact CG-CE2 3.82Å; P260-Y518 HydrophobicContact CG-CG 4.18Å; Q516-Y518 PolarHBondContact O-N 2.78Å; Y518-N520 PolarHBondContact OH-OD1 2.86Å; Y518-H574 AromaticContact CD2-CD2 3.38Å; Y518-H574 WeakPolarHBondContact CD2-CD2 3.38Å; Y518-H574 AromaticContact CD2-NE2 3.53Å; Y518-H574 AromaticContact CE2-CD2 3.52Å; Y518-H574 AromaticContact CE2-CE1 3.73Å; Y518-H574 AromaticContact CE2-CG 3.96Å; Y518-H574 AromaticContact CE2-NE2 3.33Å; Y518-H574 VanDerWaalsContact CE2-NE2 3.33Å; Y518-H574 WeakPolarHBondContact CE2-NE2 3.31Å
519	S	94.1	Very high	96	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.014	11%	0.106	C	C	.	.			trans	-156.1	148.4	167.6	172.1	0	0	0	0	109.4	E484 N521 V522	E484-S519 VanDerWaalsContact OE1-CB 3.23Å; E484-S519 WeakPolarHBondContact OE1-CB 3.19Å; E484-S519 PolarHBondContact OE1-OG 3.5Å; S519-N521 PolarHBondContact O-N 3.46Å; S519-N521 PolarHBondContact OG-N 2.91Å; S519-N521 VanDerWaalsContact OG-N 3.1Å; S519-V522 PolarHBondContact O-N 2.74Å
520	N	91.7	Very high	95.9	Very high	49 Å²	49	24.9 Å²	24.9	26%	0.262	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-25.1	170.8	-74.9	-69.8	0	0	0	112.2	Y518	Y518-N520 PolarHBondContact OH-OD1 2.86Å
521	N	95.3	Very high	95.8	Very high	18 Å²	18	22.1 Å²	22.1	10%	0.096	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-2.2	-177.7	-73.5	34.8	0	0	0	114.3	L483 K487 Q489 N490 V491 S519 F761	L483-N521 HydrophobicContact CB-CB 4.35Å; L483-N521 PolarHBondContact O-ND2 2.82Å; K487-N521 PolarHBondContact O-ND2 3.47Å; Q489-N521 PolarHBondContact O-ND2 2.7Å; N490-N521 CarbonylContact C-O 3.19Å; N490-N521 WeakPolarHBondContact CA-O 3.31Å; N490-N521 WeakPolarHBondContact ND2-CA 3.39Å; V491-N521 PolarHBondContact N-O 3.15Å; S519-N521 PolarHBondContact O-N 3.46Å; S519-N521 PolarHBondContact OG-N 2.91Å; S519-N521 VanDerWaalsContact OG-N 3.1Å; N521-F761 WeakPolarHBondContact O-CZ 3.23Å
522	V	96.8	Very high	95.7	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.018	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	138.3	-173.9	178.8	0	0	0	0	111.5	M480 L483 V491 L493 S519 W524	M480-V522 HydrophobicContact CE-CB 3.96Å; M480-V522 HydrophobicContact CE-CG1 3.94Å; M480-V522 HydrophobicContact CE-CG2 3.81Å; M480-V522 HydrophobicContact CG-CG2 3.82Å; L483-V522 HydrophobicContact CD1-CG2 4.26Å; V491-V522 HydrophobicContact CG2-CB 4.34Å; V491-V522 HydrophobicContact CG2-CG1 4.34Å; V491-V522 HydrophobicContact CG2-CG2 3.71Å; V491-V522 WeakPolarHBondContact O-CA 3.43Å; L493-V522 HydrophobicContact CB-CG1 4.47Å; L493-V522 HydrophobicContact CD1-CG1 3.85Å; L493-V522 HydrophobicContact CG-CG1 4.16Å; S519-V522 PolarHBondContact O-N 2.74Å; V522-W524 HydrophobicContact CG1-CD2 4.41Å; V522-W524 HydrophobicContact CG1-CH2 4.33Å; V522-W524 HydrophobicContact CG1-CZ2 4.12Å
523	R	97	Very high	95.5	Very high	25 Å²	25	23.7 Å²	23.7	9%	0.094	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	160	161.2	-68.7	-63.4	177.5	-85.5	1	110.5	V491 E492 L493 V576 F761 M765	V491-R523 PolarHBondContact O-N 2.86Å; E492-R523 CarbonylContact C-O 3.57Å; E492-R523 WeakPolarHBondContact CA-O 3.44Å; L493-R523 PolarHBondContact N-O 2.9Å; R523-V576 HydrophobicContact CB-CG1 3.86Å; R523-V576 HydrophobicContact CB-CG2 4.44Å; R523-V576 HydrophobicContact CG-CG1 3.98Å; R523-F761 HydrophobicContact CB-CZ 4.45Å; R523-F761 HydrophobicContact CG-CD1 3.82Å; R523-F761 HydrophobicContact CG-CD2 4.44Å; R523-F761 HydrophobicContact CG-CE1 3.63Å; R523-F761 HydrophobicContact CG-CE2 4.25Å; R523-F761 HydrophobicContact CG-CG 4.23Å; R523-F761 HydrophobicContact CG-CZ 3.84Å; R523-M765 PolarHBondContact NH2-SD 2.94Å
524	W	97.9	Very high	95.4	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.008	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.8	-176.6	-58	111.1	0	0	0	111.8	A375 I476 M480 L493 L495 V517 V522 F571 H574 V575 V576	A375-W524 HydrophobicContact CB-CZ3 4.33Å; I476-W524 HydrophobicContact CG2-CH2 4.05Å; M480-W524 HydrophobicContact CE-CH2 4.21Å; M480-W524 HydrophobicContact CE-CZ2 3.79Å; L493-W524 HydrophobicContact CB-CE3 3.62Å; L493-W524 HydrophobicContact CB-CH2 4.41Å; L493-W524 HydrophobicContact CB-CZ3 3.43Å; L493-W524 VanDerWaalsContact CB-CZ3 3.43Å; L493-W524 HydrophobicContact CD1-CH2 3.84Å; L493-W524 HydrophobicContact CD1-CZ3 3.65Å; L493-W524 HydrophobicContact CG-CZ3 4.18Å; L493-W524 WeakPolarHBondContact O-CA 3.27Å; L495-W524 HydrophobicContact CD1-CD2 3.71Å; L495-W524 HydrophobicContact CD1-CE3 3.27Å; L495-W524 HydrophobicContact CD1-CG 4.35Å; L495-W524 HydrophobicContact CD1-CH2 4.17Å; L495-W524 HydrophobicContact CD1-CZ3 3.53Å; L495-W524 HydrophobicContact CD2-CZ3 4.21Å; L495-W524 HydrophobicContact CG-CE3 3.66Å; L495-W524 HydrophobicContact CG-CZ3 3.75Å; V517-W524 HydrophobicContact CG1-CH2 4.27Å; V517-W524 HydrophobicContact CG1-CZ2 4.04Å; V522-W524 HydrophobicContact CG1-CD2 4.41Å; V522-W524 HydrophobicContact CG1-CH2 4.33Å; V522-W524 HydrophobicContact CG1-CZ2 4.12Å; W524-F571 HydrophobicContact CB-CZ 4.47Å; W524-F571 AromaticContact CD1-CE2 3.7Å; W524-F571 HydrophobicContact CD2-CE2 4.47Å; W524-F571 HydrophobicContact CG-CE2 4.07Å; W524-F571 HydrophobicContact CG-CZ 4.27Å; W524-F571 AromaticContact NE1-CE2 3.89Å; W524-H574 PolarHBondContact N-O 2.92Å; W524-V575 HydrophobicContact CB-CG2 4.06Å; W524-V575 CarbonylContact O-C 3.59Å; W524-V575 WeakPolarHBondContact O-CA 3.27Å; W524-V576 PolarHBondContact O-N 2.74Å
525	L	98.1	Very high	95.3	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	148.2	158	-84.3	80.4	0	0	0	109.1	E492 L493 R494 L495 V576 G577 D579 R639	E492-L525 HydrophobicContact CB-CD1 3.81Å; E492-L525 HydrophobicContact CG-CD1 4.48Å; L493-L525 PolarHBondContact O-N 2.93Å; R494-L525 CarbonylContact C-O 3.5Å; R494-L525 WeakPolarHBondContact CA-O 3.45Å; R494-L525 HydrophobicContact CG-CB 3.78Å; L495-L525 PolarHBondContact N-O 3.31Å; L525-V576 HydrophobicContact CD1-CG2 3.5Å; L525-V576 VanDerWaalsContact CD1-CG2 3.5Å; L525-V576 HydrophobicContact CG-CG2 4.13Å; L525-G577 WeakPolarHBondContact CA-O 3.41Å; L525-D579 HydrophobicContact CD2-CB 4.5Å; L525-R639 HydrophobicContact CD2-CB 3.93Å
526	V	98.3	Very high	95.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	110.1	173.5	174.4	0	0	0	0	109.8	L495 I497 W505 V575 G577 F578 D579	L495-V526 CarbonylContact O-C 3.46Å; L495-V526 WeakPolarHBondContact O-CA 3.48Å; I497-V526 HydrophobicContact CB-CG1 3.8Å; I497-V526 HydrophobicContact CG1-CG1 3.55Å; W505-V526 HydrophobicContact CH2-CB 3.97Å; W505-V526 HydrophobicContact CH2-CG1 3.79Å; W505-V526 HydrophobicContact CH2-CG2 3.61Å; W505-V526 HydrophobicContact CZ2-CG1 3.98Å; W505-V526 HydrophobicContact CZ3-CG2 3.88Å; V526-V575 HydrophobicContact CG2-CG1 4.01Å; V526-G577 PolarHBondContact N-O 3.11Å; V526-F578 HydrophobicContact CB-CD1 4.24Å; V526-F578 HydrophobicContact CB-CE1 4.36Å; V526-F578 HydrophobicContact CG1-CD1 4.39Å; V526-F578 HydrophobicContact CG1-CE1 4.35Å; V526-F578 CarbonylContact O-C 3.55Å; V526-F578 VanDerWaalsContact O-CA 3.32Å; V526-F578 WeakPolarHBondContact O-CA 3.47Å; V526-D579 PolarHBondContact O-N 2.71Å
527	Q	97.3	Very high	95.1	Very high	18 Å²	18	20.6 Å²	20.6	8%	0.084	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	132.1	176.8	69.7	-174.6	59.1	0	0	110.9	H374 R494 L495 S496 I497 D579 V581	H374-Q527 PolarHBondContact CE1-OE1 3.35Å; H374-Q527 PolarHBondContact ND1-OE1 2.96Å; R494-Q527 HydrophobicContact CB-CB 4.41Å; R494-Q527 HydrophobicContact CB-CG 4.44Å; L495-Q527 PolarHBondContact O-N 3.2Å; S496-Q527 WeakPolarHBondContact CA-O 3.33Å; S496-Q527 PolarHBondContact OG-NE2 2.56Å; I497-Q527 PolarHBondContact N-O 3.12Å; Q527-D579 CarbonylContact C-O 3.54Å; Q527-D579 WeakPolarHBondContact CA-O 3.33Å; Q527-D579 HydrophobicContact CB-CB 4.06Å; Q527-V581 HydrophobicContact CB-CG1 3.73Å; Q527-V581 HydrophobicContact CB-CG2 4Å; Q527-V581 HydrophobicContact CG-CG1 4.45Å; Q527-V581 HydrophobicContact CG-CG2 4.11Å
528	V	97.9	Very high	94.9	Very high	4 Å²	4	27 Å²	27	2%	0.024	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	107.1	175.2	-177	0	0	0	0	108.4	M547 V551 F578 D579 V581 M617	V528-M547 HydrophobicContact CG1-CE 4.05Å; V528-V551 HydrophobicContact CG1-CG2 4.31Å; V528-V551 HydrophobicContact CG2-CG1 4.26Å; V528-F578 HydrophobicContact CG2-CD1 4.48Å; V528-D579 PolarHBondContact N-O 2.91Å; V528-V581 PolarHBondContact O-N 2.84Å; V528-V581 VanDerWaalsContact O-N 3.17Å; V528-M617 HydrophobicContact CB-SD 3.9Å; V528-M617 HydrophobicContact CG1-SD 4.22Å; V528-M617 HydrophobicContact CG2-SD 4.12Å
529	P	96.3	Very high	94.8	Very high	8 Å²	8	36.2 Å²	36.2	5%	0.052	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	135.1	177.9	-21.4	35.4	0	0	0	112.4	I497 Y498 L531 M547 V581	I497-P529 WeakPolarHBondContact O-CD 3.5Å; Y498-P529 HydrophobicContact CD1-CG 3.77Å; Y498-P529 HydrophobicContact CE1-CG 3.82Å; P529-L531 HydrophobicContact CB-CD1 3.79Å; P529-L531 HydrophobicContact CB-CG 3.95Å; P529-L531 PolarHBondContact O-N 3.29Å; P529-M547 WeakPolarHBondContact O-CE 3.3Å; P529-V581 WeakPolarHBondContact CA-O 3.49Å; P529-V581 HydrophobicContact CB-CG2 3.92Å; P529-V581 HydrophobicContact CG-CG2 3.72Å
530	R	95.1	Very high	94.8	Very high	14 Å²	14	40.2 Å²	40.2	5%	0.053	19%	0.188	C	C	.	.			trans	-76.9	59.4	179.3	-62.1	-178.6	-66.7	-85.5	-1.8	112.6	S580 V581 D582 N607 Y613	R530-S580 WeakPolarHBondContact CD-OG 3.49Å; R530-S580 WeakPolarHBondContact CG-OG 3.25Å; R530-S580 PolarHBondContact NH1-O 3.49Å; R530-S580 PolarHBondContact NH1-OG 3.24Å; R530-V581 PolarHBondContact N-O 2.78Å; R530-D582 HydrophobicContact CB-CB 4.35Å; R530-D582 PolarHBondContact NH2-O 2.77Å; R530-N607 PolarHBondContact O-ND2 3.47Å; R530-Y613 VanDerWaalsContact C-OH 3.23Å; R530-Y613 WeakPolarHBondContact CA-OH 3.19Å; R530-Y613 HydrophobicContact CB-CD1 4.35Å; R530-Y613 HydrophobicContact CB-CD2 4.3Å; R530-Y613 HydrophobicContact CB-CE1 3.99Å; R530-Y613 HydrophobicContact CB-CE2 3.94Å; R530-Y613 HydrophobicContact CB-CG 4.48Å; R530-Y613 HydrophobicContact CG-CD1 3.84Å; R530-Y613 HydrophobicContact CG-CD2 4.06Å; R530-Y613 HydrophobicContact CG-CE1 3.98Å; R530-Y613 HydrophobicContact CG-CE2 4.2Å; R530-Y613 HydrophobicContact CG-CG 3.86Å
531	L	94.1	Very high	94.9	Very high	33 Å²	33	38.2 Å²	38.2	17%	0.173	18%	0.177	C	C	.	.			trans	-116.6	29.3	-170.8	-64.2	176.4	0	0	0	113.6	P529 D533 V534 Y535 D582 Y613	P529-L531 HydrophobicContact CB-CD1 3.79Å; P529-L531 HydrophobicContact CB-CG 3.95Å; P529-L531 PolarHBondContact O-N 3.29Å; L531-D533 VanDerWaalsContact C-N 3.33Å; L531-D533 VanDerWaalsContact C-OD1 3.31Å; L531-D533 PolarHBondContact O-N 2.88Å; L531-V534 HydrophobicContact CB-CB 4.43Å; L531-V534 HydrophobicContact CD2-CG2 4.22Å; L531-V534 PolarHBondContact O-N 2.89Å; L531-Y535 HydrophobicContact CB-CE1 4.34Å; L531-Y535 HydrophobicContact CB-CE2 3.86Å; L531-Y535 VanDerWaalsContact O-CD2 3.24Å; L531-Y535 WeakPolarHBondContact O-CD2 3.41Å; L531-Y535 PolarHBondContact O-N 3.17Å; L531-D582 HydrophobicContact CD2-CB 4.47Å; L531-D582 VanDerWaalsContact CD2-OD2 3.3Å; L531-D582 WeakPolarHBondContact CD2-OD2 3.45Å; L531-Y613 PolarHBondContact N-OH 2.89Å
532	F	94.5	Very high	94.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-55.1	-47.1	179.1	172	-101.1	0	0	0	112.1	V534 Y535 H536 L541 N543 F544 M547 W602 P608 Y613	F532-V534 VanDerWaalsContact C-N 3.3Å; F532-V534 PolarHBondContact O-N 2.87Å; F532-Y535 PolarHBondContact O-N 3.42Å; F532-H536 HydrophobicContact CD1-CB 4.35Å; F532-H536 HydrophobicContact CE1-CB 3.85Å; F532-H536 HydrophobicContact CE2-CB 4.07Å; F532-H536 HydrophobicContact CZ-CB 3.7Å; F532-H536 AromaticContact CZ-CD2 3.91Å; F532-H536 AromaticContact CZ-CG 3.75Å; F532-H536 VanDerWaalsContact O-CB 3.31Å; F532-H536 WeakPolarHBondContact O-CB 3.41Å; F532-H536 PolarHBondContact O-N 3.45Å; F532-L541 HydrophobicContact CD2-CD1 4.13Å; F532-L541 HydrophobicContact CE2-CB 4.22Å; F532-L541 HydrophobicContact CE2-CD1 4.47Å; F532-N543 WeakPolarHBondContact CE2-O 3.39Å; F532-F544 HydrophobicContact CB-CD2 4Å; F532-F544 HydrophobicContact CB-CE2 4.22Å; F532-F544 HydrophobicContact CD1-CD2 4.4Å; F532-F544 HydrophobicContact CD2-CB 4.47Å; F532-F544 AromaticContact CD2-CD2 3.85Å; F532-F544 HydrophobicContact CD2-CD2 3.85Å; F532-F544 HydrophobicContact CE2-CB 4.32Å; F532-F544 AromaticContact CG-CD2 3.79Å; F532-F544 HydrophobicContact CG-CD2 3.79Å; F532-F544 HydrophobicContact CG-CE2 4.49Å; F532-F544 HydrophobicContact CZ-CB 4.48Å; F532-M547 HydrophobicContact CB-SD 3.9Å; F532-M547 HydrophobicContact CD2-CB 4.48Å; F532-M547 HydrophobicContact CD2-SD 4.29Å; F532-W602 AromaticContact CE1-CD1 3.76Å; F532-P608 HydrophobicContact CD1-CG 4.38Å; F532-Y613 WeakPolarHBondContact CB-OH 3.4Å; F532-Y613 PolarHBondContact N-OH 3.04Å
533	D	92.2	Very high	94.9	Very high	39 Å²	39	41.9 Å²	41.9	21%	0.209	20%	0.202	C	C	.	.	H	α-helix	trans	-47.8	-48.8	174.9	63.5	-35.3	0	0	0	112.6	L531 Y535 T537 N607	L531-D533 VanDerWaalsContact C-N 3.33Å; L531-D533 VanDerWaalsContact C-OD1 3.31Å; L531-D533 PolarHBondContact O-N 2.88Å; D533-Y535 VanDerWaalsContact C-N 3.33Å; D533-Y535 PolarHBondContact O-N 3.22Å; D533-T537 VanDerWaalsContact O-CB 3.28Å; D533-T537 WeakPolarHBondContact O-CB 3.47Å; D533-T537 PolarHBondContact O-N 3.03Å; D533-T537 PolarHBondContact O-OG1 3.26Å; D533-N607 HydrophobicContact CB-CB 3.86Å
534	V	91.9	Very high	95	Very high	44 Å²	44	40.8 Å²	40.8	27%	0.267	20%	0.198	S	C	.	.	H	α-helix	trans	-65.6	-35.4	-179.7	178.7	0	0	0	0	111.6	L531 F532 K538	L531-V534 HydrophobicContact CB-CB 4.43Å; L531-V534 HydrophobicContact CD2-CG2 4.22Å; L531-V534 PolarHBondContact O-N 2.89Å; F532-V534 VanDerWaalsContact C-N 3.3Å; F532-V534 PolarHBondContact O-N 2.87Å; V534-K538 HydrophobicContact CG1-CD 4.24Å; V534-K538 WeakPolarHBondContact O-CB 3.49Å; V534-K538 VanDerWaalsContact O-CD 3.3Å; V534-K538 WeakPolarHBondContact O-CD 3.44Å; V534-K538 WeakPolarHBondContact O-CG 3.47Å; V534-K538 PolarHBondContact O-N 2.83Å
535	Y	92.9	Very high	94.9	Very high	16 Å²	16	41.9 Å²	41.9	6%	0.063	20%	0.203	C	C	.	.	H	α-helix	trans	-81.9	-37.4	-179.5	-55.7	-30.2	0	0	0	112.3	Y498 R500 L531 F532 D533 K538 R539 Q540 L541	Y498-Y535 WeakPolarHBondContact CD1-OH 2.98Å; Y498-Y535 WeakPolarHBondContact O-CE2 3.12Å; R500-Y535 HydrophobicContact CG-CD1 4.04Å; R500-Y535 HydrophobicContact CG-CD2 3.67Å; R500-Y535 HydrophobicContact CG-CE1 4.19Å; R500-Y535 HydrophobicContact CG-CE2 3.79Å; R500-Y535 HydrophobicContact CG-CG 3.82Å; L531-Y535 HydrophobicContact CB-CE1 4.34Å; L531-Y535 HydrophobicContact CB-CE2 3.86Å; L531-Y535 VanDerWaalsContact O-CD2 3.24Å; L531-Y535 WeakPolarHBondContact O-CD2 3.41Å; L531-Y535 PolarHBondContact O-N 3.17Å; F532-Y535 PolarHBondContact O-N 3.42Å; D533-Y535 VanDerWaalsContact C-N 3.33Å; D533-Y535 PolarHBondContact O-N 3.22Å; Y535-K538 CarbonylContact O-C 3.4Å; Y535-K538 PolarHBondContact O-N 3.23Å; Y535-R539 PolarHBondContact O-N 3.36Å; Y535-Q540 PolarHBondContact O-N 2.88Å; Y535-L541 HydrophobicContact CD2-CD1 4.1Å; Y535-L541 HydrophobicContact CG-CD1 4.43Å
536	H	92.9	Very high	94.9	Very high	33 Å²	33	44.9 Å²	44.9	15%	0.153	22%	0.217	C	C	.	.	H	α-helix	trans	-66.5	-48.3	175.6	-175.3	-113.4	0	0	0	111.3	F532 K538 R539 L541 T603 E604	F532-H536 HydrophobicContact CD1-CB 4.35Å; F532-H536 HydrophobicContact CE1-CB 3.85Å; F532-H536 HydrophobicContact CE2-CB 4.07Å; F532-H536 HydrophobicContact CZ-CB 3.7Å; F532-H536 AromaticContact CZ-CD2 3.91Å; F532-H536 AromaticContact CZ-CG 3.75Å; F532-H536 VanDerWaalsContact O-CB 3.31Å; F532-H536 WeakPolarHBondContact O-CB 3.41Å; F532-H536 PolarHBondContact O-N 3.45Å; H536-K538 PolarHBondContact O-N 3.19Å; H536-R539 WeakPolarHBondContact O-CA 3.23Å; H536-R539 PolarHBondContact O-N 3.42Å; H536-L541 PolarHBondContact CD2-O 2.96Å; H536-T603 PolarHBondContact CE1-O 2.94Å; H536-E604 PolarHBondContact ND1-O 3.41Å
537	T	92.2	Very high	94.9	Very high	86 Å²	86	45 Å²	45	53%	0.528	22%	0.218	S	C	.	.	H	α-helix	trans	-58.1	-34.6	174.1	-55.4	0	0	0	0	112.1	D533 R539	D533-T537 VanDerWaalsContact O-CB 3.28Å; D533-T537 WeakPolarHBondContact O-CB 3.47Å; D533-T537 PolarHBondContact O-N 3.03Å; D533-T537 PolarHBondContact O-OG1 3.26Å; T537-R539 VanDerWaalsContact C-N 3.25Å; T537-R539 PolarHBondContact O-N 3.29Å
538	K	92	Very high	94.9	Very high	133 Å²	133	44.5 Å²	44.5	58%	0.578	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	1.8	175	-71.7	174.5	-173.6	169.4	0	114	V534 Y535 H536 Q540	V534-K538 HydrophobicContact CG1-CD 4.24Å; V534-K538 WeakPolarHBondContact O-CB 3.49Å; V534-K538 VanDerWaalsContact O-CD 3.3Å; V534-K538 WeakPolarHBondContact O-CD 3.44Å; V534-K538 WeakPolarHBondContact O-CG 3.47Å; V534-K538 PolarHBondContact O-N 2.83Å; Y535-K538 CarbonylContact O-C 3.4Å; Y535-K538 PolarHBondContact O-N 3.23Å; H536-K538 PolarHBondContact O-N 3.19Å; K538-Q540 HydrophobicContact CB-CG 4.01Å; K538-Q540 PolarHBondContact O-N 2.86Å
539	R	93.1	Very high	94.9	Very high	234 Å²	234	45.9 Å²	45.9	88%	0.883	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	33.4	-176.7	-53.3	-179.2	-178.9	-176.1	-1.9	113.2	Y535 H536 T537	Y535-R539 PolarHBondContact O-N 3.36Å; H536-R539 WeakPolarHBondContact O-CA 3.23Å; H536-R539 PolarHBondContact O-N 3.42Å; T537-R539 VanDerWaalsContact C-N 3.25Å; T537-R539 PolarHBondContact O-N 3.29Å
540	Q	92.9	Very high	95	Very high	86 Å²	86	45.9 Å²	45.9	40%	0.402	22%	0.221	S	C	.	.	S	Bend	trans	-88.4	-21.7	173.1	-62.5	-175.9	2.6	0	0	111.7	Y535 K538	Y535-Q540 PolarHBondContact O-N 2.88Å; K538-Q540 HydrophobicContact CB-CG 4.01Å; K538-Q540 PolarHBondContact O-N 2.86Å
541	L	95.2	Very high	95.2	Very high	7 Å²	7	45.4 Å²	45.4	4%	0.037	22%	0.219	C	C	.	.			trans	-133.6	152.1	173.6	-65.1	174.7	0	0	0	108.5	F532 Y535 H536 E546 M547 N550	F532-L541 HydrophobicContact CD2-CD1 4.13Å; F532-L541 HydrophobicContact CE2-CB 4.22Å; F532-L541 HydrophobicContact CE2-CD1 4.47Å; Y535-L541 HydrophobicContact CD2-CD1 4.1Å; Y535-L541 HydrophobicContact CG-CD1 4.43Å; H536-L541 PolarHBondContact CD2-O 2.96Å; L541-E546 HydrophobicContact CD2-CB 4.12Å; L541-E546 HydrophobicContact CD2-CG 3.75Å; L541-M547 HydrophobicContact CD1-CB 3.83Å; L541-M547 HydrophobicContact CD1-CG 3.97Å; L541-N550 WeakPolarHBondContact CD2-ND2 3.39Å
542	S	95.3	Very high	95.4	Very high	65 Å²	65	43.8 Å²	43.8	46%	0.455	21%	0.211	S	C	.	.	S	Bend	trans	-104.1	-27.5	-178.4	61.2	0	0	0	0	114.1	E546	S542-E546 WeakPolarHBondContact CB-OE2 3.41Å; S542-E546 PolarHBondContact N-OE2 3.31Å; S542-E546 PolarHBondContact OG-OE2 2.84Å
543	N	96.7	Very high	95.5	Very high	33 Å²	33	47.1 Å²	47.1	18%	0.176	22%	0.224	C	C	.	.	S	Bend	trans	-160.3	169.7	175.1	57.9	59.9	0	0	0	109.9	F532 Q545 E546 W602 T603	F532-N543 WeakPolarHBondContact CE2-O 3.39Å; N543-Q545 VanDerWaalsContact C-N 3.3Å; N543-Q545 PolarHBondContact O-N 2.85Å; N543-Q545 WeakPolarHBondContact OD1-CA 3.24Å; N543-Q545 WeakPolarHBondContact OD1-CB 3.39Å; N543-Q545 PolarHBondContact OD1-N 3.21Å; N543-E546 WeakPolarHBondContact O-CB 3.42Å; N543-E546 PolarHBondContact O-N 2.78Å; N543-E546 PolarHBondContact OD1-N 3.18Å; N543-W602 VanDerWaalsContact CA-O 3.28Å; N543-W602 WeakPolarHBondContact CA-O 3.45Å; N543-T603 HydrophobicContact CB-CG2 3.96Å
544	F	97.3	Very high	95.8	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.009	21%	0.214	C	C	.	.	H	α-helix	trans	-66	-28.7	-178.8	-167.3	-106	0	0	0	113.7	F532 E546 M547 L548 P599 W602 P608 Y612 Y613	F532-F544 HydrophobicContact CB-CD2 4Å; F532-F544 HydrophobicContact CB-CE2 4.22Å; F532-F544 HydrophobicContact CD1-CD2 4.4Å; F532-F544 HydrophobicContact CD2-CB 4.47Å; F532-F544 AromaticContact CD2-CD2 3.85Å; F532-F544 HydrophobicContact CD2-CD2 3.85Å; F532-F544 HydrophobicContact CE2-CB 4.32Å; F532-F544 AromaticContact CG-CD2 3.79Å; F532-F544 HydrophobicContact CG-CD2 3.79Å; F532-F544 HydrophobicContact CG-CE2 4.49Å; F532-F544 HydrophobicContact CZ-CB 4.48Å; F544-E546 VanDerWaalsContact C-N 3.28Å; F544-E546 PolarHBondContact O-N 3.3Å; F544-M547 HydrophobicContact CD2-CB 4.46Å; F544-M547 HydrophobicContact CD2-SD 4.25Å; F544-M547 HydrophobicContact CE2-SD 3.84Å; F544-M547 WeakPolarHBondContact O-CB 3.4Å; F544-M547 PolarHBondContact O-N 3.41Å; F544-M547 VanDerWaalsContact O-N 3.13Å; F544-L548 HydrophobicContact CD1-CD1 3.72Å; F544-L548 HydrophobicContact CD1-CG 3.94Å; F544-L548 HydrophobicContact CE1-CD1 3.68Å; F544-L548 HydrophobicContact CE1-CD2 3.84Å; F544-L548 HydrophobicContact CE1-CG 3.71Å; F544-L548 HydrophobicContact CZ-CD2 4.26Å; F544-L548 HydrophobicContact CZ-CG 4.41Å; F544-L548 PolarHBondContact O-N 3.04Å; F544-L548 VanDerWaalsContact O-N 3.15Å; F544-P599 HydrophobicContact CB-CB 4.36Å; F544-P599 HydrophobicContact CD1-CB 3.99Å; F544-P599 HydrophobicContact CD1-CG 4.15Å; F544-P599 PolarHBondContact N-O 2.96Å; F544-W602 HydrophobicContact CB-CB 3.94Å; F544-W602 HydrophobicContact CB-CG 4.41Å; F544-W602 PolarHBondContact N-O 3.23Å; F544-P608 HydrophobicContact CD2-CG 3.74Å; F544-P608 HydrophobicContact CE2-CG 3.98Å; F544-P608 HydrophobicContact CG-CG 4.17Å; F544-Y612 HydrophobicContact CD1-CD1 4.2Å; F544-Y612 AromaticContact CD1-CE1 3.54Å; F544-Y612 HydrophobicContact CD1-CE1 3.54Å; F544-Y612 AromaticContact CE1-CD1 3.89Å; F544-Y612 HydrophobicContact CE1-CD1 3.89Å; F544-Y612 AromaticContact CE1-CE1 3.69Å; F544-Y612 HydrophobicContact CE1-CE1 3.69Å; F544-Y612 HydrophobicContact CG-CE1 4.29Å; F544-Y612 HydrophobicContact CZ-CD1 4.45Å; F544-Y613 AromaticContact CE2-CD1 3.93Å; F544-Y613 HydrophobicContact CE2-CD1 3.93Å; F544-Y613 AromaticContact CE2-CE1 3.48Å; F544-Y613 HydrophobicContact CE2-CE1 3.48Å; F544-Y613 VanDerWaalsContact CE2-CE1 3.48Å; F544-Y613 HydrophobicContact CE2-CE2 4.17Å; F544-Y613 HydrophobicContact CE2-CG 4.46Å; F544-Y613 AromaticContact CE2-CZ 3.63Å; F544-Y613 AromaticContact CZ-CD1 3.67Å; F544-Y613 HydrophobicContact CZ-CD1 3.67Å; F544-Y613 HydrophobicContact CZ-CD2 4.46Å; F544-Y613 AromaticContact CZ-CE1 3.74Å; F544-Y613 HydrophobicContact CZ-CE1 3.74Å; F544-Y613 HydrophobicContact CZ-CG 4.07Å
545	Q	97.7	Very high	96.1	Very high	24 Å²	24	43.3 Å²	43.3	11%	0.112	20%	0.202	C	C	.	.	H	α-helix	trans	-61.6	-37	175	-168.4	178	-75.6	0	0	111.6	M279 G282 N543 M547 L548 E549 P599 A600	M279-Q545 HydrophobicContact CB-CG 4.38Å; M279-Q545 HydrophobicContact CG-CG 3.77Å; M279-Q545 HydrophobicContact SD-CG 3.47Å; M279-Q545 WeakPolarHBondContact SD-CG 3.28Å; G282-Q545 VanDerWaalsContact N-OE1 3.1Å; N543-Q545 VanDerWaalsContact C-N 3.3Å; N543-Q545 PolarHBondContact O-N 2.85Å; N543-Q545 WeakPolarHBondContact OD1-CA 3.24Å; N543-Q545 WeakPolarHBondContact OD1-CB 3.39Å; N543-Q545 PolarHBondContact OD1-N 3.21Å; Q545-M547 VanDerWaalsContact C-N 3.27Å; Q545-M547 PolarHBondContact O-N 3.04Å; Q545-L548 PolarHBondContact O-N 2.79Å; Q545-E549 HydrophobicContact CG-CG 4.31Å; Q545-E549 PolarHBondContact NE2-OE1 2.87Å; Q545-E549 WeakPolarHBondContact O-CB 3.3Å; Q545-E549 WeakPolarHBondContact O-CG 3.19Å; Q545-E549 PolarHBondContact O-N 3.18Å; Q545-P599 HydrophobicContact CB-CB 3.91Å; Q545-P599 PolarHBondContact N-O 3.28Å; Q545-A600 HydrophobicContact CB-CB 4.33Å
546	E	97.4	Very high	96.4	Very high	63 Å²	63	42.5 Å²	42.5	29%	0.294	20%	0.199	S	C	.	.	H	α-helix	trans	-60.9	-37.2	175.7	-167.4	178.1	179.5	0	0	111.9	L541 S542 N543 F544 N550	L541-E546 HydrophobicContact CD2-CB 4.12Å; L541-E546 HydrophobicContact CD2-CG 3.75Å; S542-E546 WeakPolarHBondContact CB-OE2 3.41Å; S542-E546 PolarHBondContact N-OE2 3.31Å; S542-E546 PolarHBondContact OG-OE2 2.84Å; N543-E546 WeakPolarHBondContact O-CB 3.42Å; N543-E546 PolarHBondContact O-N 2.78Å; N543-E546 PolarHBondContact OD1-N 3.18Å; F544-E546 VanDerWaalsContact C-N 3.28Å; F544-E546 PolarHBondContact O-N 3.3Å; E546-N550 WeakPolarHBondContact O-CB 3.5Å; E546-N550 PolarHBondContact O-N 3.41Å; E546-N550 PolarHBondContact O-ND2 2.88Å; E546-N550 VanDerWaalsContact O-ND2 3.09Å
547	M	97.9	Very high	96.6	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.02	20%	0.203	C	C	.	.	H	α-helix	trans	-62.2	-49.3	173.5	-163.4	177.8	170.1	0	0	111.4	V528 P529 F532 L541 F544 Q545 N550 V551 Y613	V528-M547 HydrophobicContact CG1-CE 4.05Å; P529-M547 WeakPolarHBondContact O-CE 3.3Å; F532-M547 HydrophobicContact CB-SD 3.9Å; F532-M547 HydrophobicContact CD2-CB 4.48Å; F532-M547 HydrophobicContact CD2-SD 4.29Å; L541-M547 HydrophobicContact CD1-CB 3.83Å; L541-M547 HydrophobicContact CD1-CG 3.97Å; F544-M547 HydrophobicContact CD2-CB 4.46Å; F544-M547 HydrophobicContact CD2-SD 4.25Å; F544-M547 HydrophobicContact CE2-SD 3.84Å; F544-M547 WeakPolarHBondContact O-CB 3.4Å; F544-M547 PolarHBondContact O-N 3.41Å; F544-M547 VanDerWaalsContact O-N 3.13Å; Q545-M547 VanDerWaalsContact C-N 3.27Å; Q545-M547 PolarHBondContact O-N 3.04Å; M547-N550 PolarHBondContact O-N 3.2Å; M547-V551 WeakPolarHBondContact O-CG2 3.31Å; M547-V551 PolarHBondContact O-N 2.81Å; M547-V551 VanDerWaalsContact O-N 3.08Å; M547-Y613 HydrophobicContact CE-CE1 4.09Å; M547-Y613 HydrophobicContact SD-CE1 4.21Å
548	L	98.3	Very high	96.8	Very high	6 Å²	6	39.3 Å²	39.3	3%	0.031	18%	0.178	C	C	.	.	H	α-helix	trans	-63.8	-41	179	-66	172.8	0	0	0	111.8	M279 F544 Q545 N550 V551 F552 P599 Y616	M279-L548 HydrophobicContact CE-CB 3.78Å; M279-L548 HydrophobicContact SD-CB 3.58Å; M279-L548 VanDerWaalsContact SD-CB 3.58Å; F544-L548 HydrophobicContact CD1-CD1 3.72Å; F544-L548 HydrophobicContact CD1-CG 3.94Å; F544-L548 HydrophobicContact CE1-CD1 3.68Å; F544-L548 HydrophobicContact CE1-CD2 3.84Å; F544-L548 HydrophobicContact CE1-CG 3.71Å; F544-L548 HydrophobicContact CZ-CD2 4.26Å; F544-L548 HydrophobicContact CZ-CG 4.41Å; F544-L548 PolarHBondContact O-N 3.04Å; F544-L548 VanDerWaalsContact O-N 3.15Å; Q545-L548 PolarHBondContact O-N 2.79Å; L548-N550 VanDerWaalsContact C-N 3.34Å; L548-N550 PolarHBondContact O-N 3.29Å; L548-V551 PolarHBondContact O-N 2.83Å; L548-F552 HydrophobicContact CD2-CD2 4.49Å; L548-F552 HydrophobicContact CD2-CE2 4.25Å; L548-F552 WeakPolarHBondContact O-CD2 3.2Å; L548-F552 PolarHBondContact O-N 3Å; L548-P599 HydrophobicContact CD1-CB 3.93Å; L548-P599 HydrophobicContact CD1-CG 3.98Å; L548-Y616 HydrophobicContact CD1-CD1 4.27Å; L548-Y616 HydrophobicContact CD1-CG 4.06Å
549	E	97.9	Very high	97	Very high	33 Å²	33	33.1 Å²	33.1	15%	0.154	15%	0.151	C	C	.	.	H	α-helix	trans	-60.8	-43.2	174.1	-77.7	-173.3	-156.5	0	0	111.3	M279 R502 Q545 V551 R553	M279-E549 HydrophobicContact CB-CG 3.71Å; M279-E549 HydrophobicContact CE-CG 4.25Å; M279-E549 HydrophobicContact CG-CG 4.25Å; M279-E549 HydrophobicContact SD-CG 3.65Å; R502-E549 IonicContact CZ-OE2 3.25Å; R502-E549 IonicContact NH2-OE2 2.66Å; R502-E549 PolarHBondContact NH2-OE2 2.82Å; Q545-E549 HydrophobicContact CG-CG 4.31Å; Q545-E549 PolarHBondContact NE2-OE1 2.87Å; Q545-E549 WeakPolarHBondContact O-CB 3.3Å; Q545-E549 WeakPolarHBondContact O-CG 3.19Å; Q545-E549 PolarHBondContact O-N 3.18Å; E549-V551 VanDerWaalsContact C-N 3.28Å; E549-V551 PolarHBondContact O-N 3.24Å; E549-R553 WeakPolarHBondContact O-CB 3.5Å; E549-R553 PolarHBondContact O-N 2.91Å
550	N	98.2	Very high	97.1	Very high	9 Å²	9	22.2 Å²	22.2	5%	0.048	11%	0.11	C	C	.	.	H	α-helix	trans	-65.1	-30.3	177.5	-71.5	-30.9	0	0	0	113.1	G499 R500 S501 R502 L541 E546 M547 L548	G499-N550 WeakPolarHBondContact O-CB 3.38Å; G499-N550 PolarHBondContact O-ND2 3.39Å; R500-N550 VanDerWaalsContact C-ND2 3.3Å; R500-N550 PolarHBondContact O-ND2 2.93Å; S501-N550 PolarHBondContact N-ND2 3.39Å; R502-N550 WeakPolarHBondContact CG-OD1 3.36Å; R502-N550 PolarHBondContact N-OD1 2.94Å; L541-N550 WeakPolarHBondContact CD2-ND2 3.39Å; E546-N550 WeakPolarHBondContact O-CB 3.5Å; E546-N550 PolarHBondContact O-N 3.41Å; E546-N550 PolarHBondContact O-ND2 2.88Å; E546-N550 VanDerWaalsContact O-ND2 3.09Å; M547-N550 PolarHBondContact O-N 3.2Å; L548-N550 VanDerWaalsContact C-N 3.34Å; L548-N550 PolarHBondContact O-N 3.29Å
551	V	98.3	Very high	97.2	Very high	3 Å²	3	20 Å²	20	2%	0.018	10%	0.101	C	C	.	.	H	α-helix	trans	-80.3	-50.5	176.1	174.5	0	0	0	0	111.9	I497 W505 V528 M547 L548 E549	I497-V551 HydrophobicContact CG2-CG2 4.36Å; W505-V551 PolarHBondContact NE1-O 3.45Å; V528-V551 HydrophobicContact CG1-CG2 4.31Å; V528-V551 HydrophobicContact CG2-CG1 4.26Å; M547-V551 WeakPolarHBondContact O-CG2 3.31Å; M547-V551 PolarHBondContact O-N 2.81Å; M547-V551 VanDerWaalsContact O-N 3.08Å; L548-V551 PolarHBondContact O-N 2.83Å; E549-V551 VanDerWaalsContact C-N 3.28Å; E549-V551 PolarHBondContact O-N 3.24Å
552	F	98.6	Very high	97.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-95.2	-35.1	-167.8	-72.4	-74.9	0	0	0	114.4	M279 M284 L548 L555 F556 F578 M617 N620 M621	M279-F552 HydrophobicContact CE-CB 4.4Å; M284-F552 HydrophobicContact CG-CB 4.3Å; L548-F552 HydrophobicContact CD2-CD2 4.49Å; L548-F552 HydrophobicContact CD2-CE2 4.25Å; L548-F552 WeakPolarHBondContact O-CD2 3.2Å; L548-F552 PolarHBondContact O-N 3Å; F552-L555 HydrophobicContact CD1-CD1 4.38Å; F552-L555 WeakPolarHBondContact O-CA 3.36Å; F552-L555 VanDerWaalsContact O-CB 3.3Å; F552-L555 WeakPolarHBondContact O-CB 3.5Å; F552-L555 PolarHBondContact O-N 3.18Å; F552-F556 HydrophobicContact CB-CD2 4.45Å; F552-F556 HydrophobicContact CB-CE2 4.37Å; F552-F556 WeakPolarHBondContact O-CD2 3.2Å; F552-F556 PolarHBondContact O-N 2.86Å; F552-F578 HydrophobicContact CE1-CE2 4.32Å; F552-F578 HydrophobicContact CE1-CZ 4.21Å; F552-M617 HydrophobicContact CE2-CG 4.36Å; F552-M617 HydrophobicContact CZ-CB 4.19Å; F552-M617 HydrophobicContact CZ-CG 4.38Å; F552-M617 WeakPolarHBondContact CZ-O 3.38Å; F552-N620 HydrophobicContact CB-CB 4.27Å; F552-N620 HydrophobicContact CD1-CB 3.55Å; F552-N620 HydrophobicContact CD2-CB 3.52Å; F552-N620 HydrophobicContact CE1-CB 3.65Å; F552-N620 HydrophobicContact CE2-CB 3.63Å; F552-N620 HydrophobicContact CG-CB 3.48Å; F552-N620 VanDerWaalsContact CG-CB 3.48Å; F552-N620 HydrophobicContact CZ-CB 3.7Å; F552-M621 HydrophobicContact CE1-CB 4.43Å
553	R	97.6	Very high	97.1	Very high	70 Å²	70	18 Å²	18	26%	0.264	9%	0.092	S	C	.	.	H	α-helix	trans	-58	-43.6	-171.6	-174.4	-177.7	164.7	132.1	15.5	113.9	M284 E549 L555 F556 E557	M284-R553 HydrophobicContact CE-CG 4.45Å; E549-R553 WeakPolarHBondContact O-CB 3.5Å; E549-R553 PolarHBondContact O-N 2.91Å; R553-L555 PolarHBondContact O-N 3.46Å; R553-F556 PolarHBondContact O-N 3.37Å; R553-F556 VanDerWaalsContact O-N 3.16Å; R553-E557 HydrophobicContact CG-CG 4.33Å; R553-E557 IonicContact CZ-OE1 2.78Å; R553-E557 VanDerWaalsContact CZ-OE1 3.29Å; R553-E557 IonicContact NE-OE1 3.46Å; R553-E557 PolarHBondContact NE-OE1 3.02Å; R553-E557 IonicContact NE-OE2 3.54Å; R553-E557 IonicContact NH2-OE1 3.52Å; R553-E557 PolarHBondContact NH2-OE1 3.02Å; R553-E557 WeakPolarHBondContact O-CG 3.44Å; R553-E557 PolarHBondContact O-N 3.2Å
554	P	98.1	Very high	97	Very high	1 Å²	1	19 Å²	19	1%	0.006	10%	0.102	C	C	.	.	H	α-helix	trans	-60.7	-28.9	176.1	-25	37.1	0	0	0	113.4	R502 W505 E557 V558 L568	R502-P554 HydrophobicContact CB-CG 4.16Å; R502-P554 WeakPolarHBondContact O-CG 3.31Å; W505-P554 HydrophobicContact CB-CB 4.16Å; W505-P554 HydrophobicContact CG-CB 4.3Å; P554-E557 PolarHBondContact O-N 2.97Å; P554-V558 VanDerWaalsContact O-CG1 3.31Å; P554-V558 WeakPolarHBondContact O-CG1 3.43Å; P554-V558 PolarHBondContact O-N 2.68Å; P554-L568 HydrophobicContact CB-CD2 4.31Å
555	L	98.3	Very high	96.9	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-74.3	-34.4	178.6	-55.5	176.6	0	0	0	112.4	W505 F552 R553 V558 T559 L572 F578 L624	W505-L555 HydrophobicContact CD2-CD2 3.95Å; W505-L555 HydrophobicContact CE3-CD2 4.13Å; W505-L555 HydrophobicContact CH2-CD1 4.3Å; W505-L555 HydrophobicContact CH2-CD2 3.89Å; W505-L555 HydrophobicContact CZ2-CD1 3.71Å; W505-L555 HydrophobicContact CZ2-CD2 3.76Å; W505-L555 HydrophobicContact CZ2-CG 4.06Å; W505-L555 HydrophobicContact CZ3-CD2 4.09Å; F552-L555 HydrophobicContact CD1-CD1 4.38Å; F552-L555 WeakPolarHBondContact O-CA 3.36Å; F552-L555 VanDerWaalsContact O-CB 3.3Å; F552-L555 WeakPolarHBondContact O-CB 3.5Å; F552-L555 PolarHBondContact O-N 3.18Å; R553-L555 PolarHBondContact O-N 3.46Å; L555-V558 WeakPolarHBondContact O-CG1 3.18Å; L555-T559 WeakPolarHBondContact O-CB 3.42Å; L555-T559 PolarHBondContact O-N 2.78Å; L555-T559 VanDerWaalsContact O-N 3.13Å; L555-T559 PolarHBondContact O-OG1 3.37Å; L555-L572 HydrophobicContact CD2-CD1 3.92Å; L555-L572 HydrophobicContact CD2-CD2 3.94Å; L555-F578 HydrophobicContact CD1-CE1 4.37Å; L555-F578 HydrophobicContact CD1-CZ 3.61Å; L555-L624 HydrophobicContact CB-CD1 4.15Å; L555-L624 HydrophobicContact CB-CD2 3.74Å; L555-L624 HydrophobicContact CD1-CD2 3.83Å; L555-L624 HydrophobicContact CG-CD2 4.45Å
556	F	97.8	Very high	96.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-70.2	-44.1	169.5	-79.7	-93.1	0	0	0	111	C277 M284 V286 F552 R553 V558 T559 I560 V623 L624 L627	C277-F556 HydrophobicContact CB-CB 4.44Å; M284-F556 HydrophobicContact CB-CD1 4.49Å; M284-F556 HydrophobicContact CB-CD2 4.03Å; M284-F556 HydrophobicContact CB-CE1 4.04Å; M284-F556 HydrophobicContact CB-CE2 3.52Å; M284-F556 HydrophobicContact CB-CG 4.5Å; M284-F556 HydrophobicContact CB-CZ 3.52Å; M284-F556 HydrophobicContact CE-CB 3.97Å; M284-F556 HydrophobicContact CE-CD1 4.42Å; M284-F556 HydrophobicContact CE-CD2 3.92Å; M284-F556 HydrophobicContact CE-CG 3.84Å; M284-F556 HydrophobicContact CG-CD2 3.74Å; M284-F556 HydrophobicContact CG-CE2 3.54Å; M284-F556 HydrophobicContact CG-CG 4.46Å; M284-F556 HydrophobicContact CG-CZ 4.11Å; V286-F556 HydrophobicContact CG2-CD1 3.81Å; V286-F556 HydrophobicContact CG2-CE1 3.7Å; F552-F556 HydrophobicContact CB-CD2 4.45Å; F552-F556 HydrophobicContact CB-CE2 4.37Å; F552-F556 WeakPolarHBondContact O-CD2 3.2Å; F552-F556 PolarHBondContact O-N 2.86Å; R553-F556 PolarHBondContact O-N 3.37Å; R553-F556 VanDerWaalsContact O-N 3.16Å; F556-V558 PolarHBondContact O-N 3.47Å; F556-T559 PolarHBondContact O-N 3.25Å; F556-I560 WeakPolarHBondContact O-CB 3.47Å; F556-I560 VanDerWaalsContact O-CG1 3.28Å; F556-I560 WeakPolarHBondContact O-CG1 3.3Å; F556-I560 PolarHBondContact O-N 3.21Å; F556-V623 HydrophobicContact CE1-CG1 3.89Å; F556-V623 HydrophobicContact CZ-CB 4.13Å; F556-V623 HydrophobicContact CZ-CG1 3.87Å; F556-L624 HydrophobicContact CD1-CD1 4.42Å; F556-L624 HydrophobicContact CD2-CD1 4.07Å; F556-L624 HydrophobicContact CE1-CB 4.44Å; F556-L624 HydrophobicContact CE1-CD1 4.42Å; F556-L624 HydrophobicContact CE2-CB 3.81Å; F556-L624 HydrophobicContact CE2-CD1 4.07Å; F556-L624 HydrophobicContact CE2-CG 4.42Å; F556-L624 HydrophobicContact CG-CD1 4.25Å; F556-L624 HydrophobicContact CZ-CB 3.7Å; F556-L624 HydrophobicContact CZ-CD1 4.26Å; F556-L627 HydrophobicContact CD1-CD2 3.58Å; F556-L627 HydrophobicContact CE1-CD2 3.98Å
557	E	96.9	Very high	96.6	Very high	51 Å²	51	19.1 Å²	19.1	24%	0.238	10%	0.104	C	C	.	.	H	α-helix	trans	-60	-46.3	179.8	-72.3	170.4	159.6	0	0	111.4	R553 P554 N561 S564	R553-E557 HydrophobicContact CG-CG 4.33Å; R553-E557 IonicContact CZ-OE1 2.78Å; R553-E557 VanDerWaalsContact CZ-OE1 3.29Å; R553-E557 IonicContact NE-OE1 3.46Å; R553-E557 PolarHBondContact NE-OE1 3.02Å; R553-E557 IonicContact NE-OE2 3.54Å; R553-E557 IonicContact NH2-OE1 3.52Å; R553-E557 PolarHBondContact NH2-OE1 3.02Å; R553-E557 WeakPolarHBondContact O-CG 3.44Å; R553-E557 PolarHBondContact O-N 3.2Å; P554-E557 PolarHBondContact O-N 2.97Å; E557-N561 PolarHBondContact O-N 2.82Å; E557-S564 PolarHBondContact O-OG 3.39Å
558	V	96.8	Very high	96.6	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.006	10%	0.104	C	C	.	.	H	α-helix	trans	-71.8	-27.4	175	74.4	0	0	0	0	114.3	P554 L555 F556 N561 P562 H565 L568 H569 L572	P554-V558 VanDerWaalsContact O-CG1 3.31Å; P554-V558 WeakPolarHBondContact O-CG1 3.43Å; P554-V558 PolarHBondContact O-N 2.68Å; L555-V558 WeakPolarHBondContact O-CG1 3.18Å; F556-V558 PolarHBondContact O-N 3.47Å; V558-N561 CarbonylContact O-C 3.58Å; V558-P562 VanDerWaalsContact O-CA 3.28Å; V558-P562 WeakPolarHBondContact O-CA 3.21Å; V558-P562 WeakPolarHBondContact O-CD 3.07Å; V558-P562 VanDerWaalsContact O-N 3.12Å; V558-H565 HydrophobicContact CB-CB 4Å; V558-H565 HydrophobicContact CG2-CB 3.82Å; V558-H565 WeakPolarHBondContact CG2-O 3.48Å; V558-L568 HydrophobicContact CB-CD2 4.11Å; V558-L568 HydrophobicContact CB-CG 4.44Å; V558-L568 HydrophobicContact CG1-CD2 3.91Å; V558-L568 HydrophobicContact CG1-CG 4.15Å; V558-L568 HydrophobicContact CG2-CB 4.32Å; V558-L568 HydrophobicContact CG2-CD2 4.5Å; V558-L568 HydrophobicContact CG2-CG 4.35Å; V558-H569 HydrophobicContact CG2-CB 3.77Å; V558-L572 HydrophobicContact CG1-CD1 3.67Å
559	T	96.8	Very high	96.4	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.012	11%	0.107	C	C	.	.	H	α-helix	trans	-74.3	-37.3	176.3	-63.8	0	0	0	0	111	L555 F556 L627 R628 C631 F633	L555-T559 WeakPolarHBondContact O-CB 3.42Å; L555-T559 PolarHBondContact O-N 2.78Å; L555-T559 VanDerWaalsContact O-N 3.13Å; L555-T559 PolarHBondContact O-OG1 3.37Å; F556-T559 PolarHBondContact O-N 3.25Å; T559-L627 HydrophobicContact CG2-CD2 3.9Å; T559-L627 HydrophobicContact CG2-CG 3.79Å; T559-R628 HydrophobicContact CG2-CB 4.38Å; T559-R628 HydrophobicContact CG2-CG 3.58Å; T559-R628 PolarHBondContact OG1-NH1 3.38Å; T559-C631 HydrophobicContact CG2-CB 4.46Å; T559-F633 HydrophobicContact CG2-CD2 4.18Å; T559-F633 HydrophobicContact CG2-CE2 4.46Å
560	I	95.9	Very high	96.2	Very high	6 Å²	6	18.5 Å²	18.5	3%	0.031	10%	0.102	C	C	.	.	H	α-helix	trans	-72.8	-39.8	176.1	-68.2	167.7	0	0	0	111.2	V273 C277 V286 F556 L627	V273-I560 HydrophobicContact CG2-CB 4.28Å; V273-I560 HydrophobicContact CG2-CG1 4.5Å; V273-I560 HydrophobicContact CG2-CG2 3.84Å; V273-I560 PolarHBondContact N-O 3.09Å; C277-I560 HydrophobicContact CB-CD1 4.1Å; V286-I560 HydrophobicContact CG1-CD1 4.26Å; F556-I560 WeakPolarHBondContact O-CB 3.47Å; F556-I560 VanDerWaalsContact O-CG1 3.28Å; F556-I560 WeakPolarHBondContact O-CG1 3.3Å; F556-I560 PolarHBondContact O-N 3.21Å; I560-L627 HydrophobicContact CD1-CD2 4.48Å; I560-L627 HydrophobicContact CG1-CD2 4.04Å
561	N	95.2	Very high	96.1	Very high	39 Å²	39	18 Å²	18	21%	0.209	10%	0.099	C	C	.	.			trans	-141.9	92.2	-179.5	179	2.4	0	0	0	110.3	D272 E557 V558 G563 S564	D272-N561 HydrophobicContact CB-CB 4.11Å; E557-N561 PolarHBondContact O-N 2.82Å; V558-N561 CarbonylContact O-C 3.58Å; N561-G563 PolarHBondContact O-N 2.94Å; N561-G563 VanDerWaalsContact O-N 3.17Å; N561-G563 PolarHBondContact OD1-N 2.87Å; N561-S564 WeakPolarHBondContact O-CB 3.28Å; N561-S564 PolarHBondContact O-N 2.75Å; N561-S564 PolarHBondContact O-OG 3.02Å; N561-S564 PolarHBondContact OD1-N 2.72Å
562	P	94.8	Very high	96	Very high	2 Å²	2	18 Å²	18	1%	0.013	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-51.8	-37.7	176.9	-32.1	38.3	0	0	0	114	M269 A270 V558 S564 H565 H569 F633	M269-P562 HydrophobicContact CB-CB 3.97Å; M269-P562 HydrophobicContact SD-CB 4.13Å; A270-P562 HydrophobicContact CB-CG 4.31Å; V558-P562 VanDerWaalsContact O-CA 3.28Å; V558-P562 WeakPolarHBondContact O-CA 3.21Å; V558-P562 WeakPolarHBondContact O-CD 3.07Å; V558-P562 VanDerWaalsContact O-N 3.12Å; P562-S564 PolarHBondContact O-N 2.91Å; P562-S564 VanDerWaalsContact O-N 3.16Å; P562-H565 CarbonylContact O-C 3.29Å; P562-H565 VanDerWaalsContact O-C 3.29Å; P562-H565 PolarHBondContact O-N 3.47Å; P562-H569 HydrophobicContact CB-CB 4.2Å; P562-F633 HydrophobicContact CG-CE2 4.19Å; P562-F633 HydrophobicContact CG-CZ 3.75Å
563	G	93.2	Very high	95.7	Very high	28 Å²	28	22.3 Å²	22.3	29%	0.289	12%	0.119	S	C	.	.	G	3₁₀ helix	trans	-67.7	-9.1	178.1	0	0	0	0	0	115.2	N561	N561-G563 PolarHBondContact O-N 2.94Å; N561-G563 VanDerWaalsContact O-N 3.17Å; N561-G563 PolarHBondContact OD1-N 2.87Å
564	S	93.8	Very high	95.5	Very high	54 Å²	54	19.8 Å²	19.8	38%	0.378	11%	0.11	S	C	.	.	G	3₁₀ helix	trans	-78.5	-30	172.4	67.1	0	0	0	0	113.2	E557 N561 P562	E557-S564 PolarHBondContact O-OG 3.39Å; N561-S564 WeakPolarHBondContact O-CB 3.28Å; N561-S564 PolarHBondContact O-N 2.75Å; N561-S564 PolarHBondContact O-OG 3.02Å; N561-S564 PolarHBondContact OD1-N 2.72Å; P562-S564 PolarHBondContact O-N 2.91Å; P562-S564 VanDerWaalsContact O-N 3.16Å
565	H	94.9	Very high	95.5	Very high	25 Å²	25	19.8 Å²	19.8	12%	0.116	11%	0.11	C	C	.	.	S	Bend	trans	-138.4	69.3	176.3	-56.3	-95.4	0	0	0	110.1	D506 V558 P562 E567 L568 H569	D506-H565 IonicContact OD1-CE1 2.86Å; D506-H565 IonicContact OD1-CG 3.52Å; D506-H565 IonicContact OD1-ND1 3.63Å; D506-H565 PolarHBondContact OD1-ND1 3.21Å; D506-H565 IonicContact OD2-CE1 3.97Å; D506-H565 PolarHBondContact OD2-CE1 3.03Å; D506-H565 IonicContact OD2-ND1 2.86Å; D506-H565 PolarHBondContact OD2-ND1 3.25Å; V558-H565 HydrophobicContact CB-CB 4Å; V558-H565 HydrophobicContact CG2-CB 3.82Å; V558-H565 WeakPolarHBondContact CG2-O 3.48Å; P562-H565 CarbonylContact O-C 3.29Å; P562-H565 VanDerWaalsContact O-C 3.29Å; P562-H565 PolarHBondContact O-N 3.47Å; H565-E567 PolarHBondContact O-N 3.31Å; H565-L568 HydrophobicContact CB-CB 3.72Å; H565-L568 HydrophobicContact CB-CD2 4.08Å; H565-L568 HydrophobicContact CB-CG 4.48Å; H565-L568 WeakPolarHBondContact O-CB 3.41Å; H565-L568 PolarHBondContact O-N 3.22Å; H565-H569 PolarHBondContact O-N 2.83Å
566	P	94.5	Very high	95.5	Very high	26 Å²	26	20.5 Å²	20.5	17%	0.169	12%	0.115	C	C	.	.	H	α-helix	trans	-62.8	-39.3	-168.6	22.8	-32.2	0	0	0	113.2	M269 L568 H569 L570	M269-P566 HydrophobicContact CE-CB 3.52Å; M269-P566 HydrophobicContact SD-CB 3.89Å; P566-L568 VanDerWaalsContact C-N 3.3Å; P566-L568 PolarHBondContact O-N 2.93Å; P566-H569 PolarHBondContact O-N 3.48Å; P566-L570 WeakPolarHBondContact O-CG 3.17Å; P566-L570 PolarHBondContact O-N 3.08Å
567	E	95.5	Very high	95.4	Very high	40 Å²	40	20.5 Å²	20.5	19%	0.187	12%	0.115	C	C	.	.	H	α-helix	trans	-66.6	-33.9	175.5	-55.1	99.3	134.9	0	0	112.1	A509 K510 V513 H565 F571	A509-E567 HydrophobicContact CB-CB 4.19Å; K510-E567 VanDerWaalsContact CE-CD 3.46Å; K510-E567 WeakPolarHBondContact CE-OE1 3.17Å; K510-E567 HydrophobicContact CG-CB 4.27Å; K510-E567 HydrophobicContact CG-CG 4.06Å; K510-E567 WeakPolarHBondContact CG-OE1 3.49Å; V513-E567 HydrophobicContact CB-CB 4.24Å; V513-E567 HydrophobicContact CB-CG 4.31Å; V513-E567 HydrophobicContact CG1-CG 4.15Å; V513-E567 HydrophobicContact CG2-CB 3.92Å; V513-E567 HydrophobicContact CG2-CG 4.44Å; H565-E567 PolarHBondContact O-N 3.31Å; E567-F571 WeakPolarHBondContact O-CB 3.36Å; E567-F571 PolarHBondContact O-N 3.39Å
568	L	96.4	Very high	95.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-70.8	-39.3	177.8	-179.5	60	0	0	0	111.2	W505 A509 P554 V558 H565 P566 L570 F571 L572	W505-L568 HydrophobicContact CB-CD1 4.12Å; W505-L568 HydrophobicContact CB-CD2 4.01Å; W505-L568 HydrophobicContact CD2-CD1 4.24Å; W505-L568 HydrophobicContact CE3-CD1 3.56Å; W505-L568 HydrophobicContact CZ3-CD1 4.27Å; A509-L568 VanDerWaalsContact CB-CA 3.49Å; A509-L568 HydrophobicContact CB-CB 3.95Å; A509-L568 HydrophobicContact CB-CD1 4.1Å; P554-L568 HydrophobicContact CB-CD2 4.31Å; V558-L568 HydrophobicContact CB-CD2 4.11Å; V558-L568 HydrophobicContact CB-CG 4.44Å; V558-L568 HydrophobicContact CG1-CD2 3.91Å; V558-L568 HydrophobicContact CG1-CG 4.15Å; V558-L568 HydrophobicContact CG2-CB 4.32Å; V558-L568 HydrophobicContact CG2-CD2 4.5Å; V558-L568 HydrophobicContact CG2-CG 4.35Å; H565-L568 HydrophobicContact CB-CB 3.72Å; H565-L568 HydrophobicContact CB-CD2 4.08Å; H565-L568 HydrophobicContact CB-CG 4.48Å; H565-L568 WeakPolarHBondContact O-CB 3.41Å; H565-L568 PolarHBondContact O-N 3.22Å; P566-L568 VanDerWaalsContact C-N 3.3Å; P566-L568 PolarHBondContact O-N 2.93Å; L568-L570 VanDerWaalsContact C-N 3.35Å; L568-L570 PolarHBondContact O-N 3.02Å; L568-F571 HydrophobicContact CD1-CD1 4.45Å; L568-F571 PolarHBondContact O-N 2.84Å; L568-L572 HydrophobicContact CD1-CD1 4.2Å; L568-L572 HydrophobicContact CD1-CG 4.03Å; L568-L572 HydrophobicContact CG-CD1 4.02Å; L568-L572 HydrophobicContact CG-CG 4.32Å; L568-L572 WeakPolarHBondContact O-CB 3.26Å; L568-L572 VanDerWaalsContact O-CG 3.25Å; L568-L572 WeakPolarHBondContact O-CG 3.33Å; L568-L572 PolarHBondContact O-N 3.09Å
569	H	95.4	Very high	95.6	Very high	22 Å²	22	18.1 Å²	18.1	10%	0.102	10%	0.103	C	C	.	.	H	α-helix	trans	-56.6	-50.1	173.5	176.4	74.4	0	0	0	110.9	M269 V558 P562 H565 P566 L572 Q573 F633	M269-H569 HydrophobicContact SD-CB 4.45Å; V558-H569 HydrophobicContact CG2-CB 3.77Å; P562-H569 HydrophobicContact CB-CB 4.2Å; H565-H569 PolarHBondContact O-N 2.83Å; P566-H569 PolarHBondContact O-N 3.48Å; H569-L572 PolarHBondContact O-N 3.38Å; H569-Q573 PolarHBondContact NE2-NE2 3.03Å; H569-Q573 VanDerWaalsContact NE2-NE2 3.18Å; H569-Q573 PolarHBondContact O-N 2.99Å; H569-F633 AromaticContact CE1-CE1 3.61Å; H569-F633 AromaticContact CE1-CZ 3.84Å
570	L	93.9	Very high	95.6	Very high	8 Å²	8	18 Å²	18	4%	0.042	10%	0.103	C	C	.	.	H	α-helix	trans	-62.9	-44.1	177.8	-65.4	173.6	0	0	0	112.5	Y261 Q264 M269 V513 P566 L568 L572 Q573	Y261-L570 HydrophobicContact CD1-CB 4.23Å; Q264-L570 HydrophobicContact CG-CD1 3.73Å; M269-L570 HydrophobicContact CE-CD1 4.47Å; M269-L570 HydrophobicContact CE-CG 4.27Å; V513-L570 HydrophobicContact CG2-CB 4.49Å; P566-L570 WeakPolarHBondContact O-CG 3.17Å; P566-L570 PolarHBondContact O-N 3.08Å; L568-L570 VanDerWaalsContact C-N 3.35Å; L568-L570 PolarHBondContact O-N 3.02Å; L570-L572 PolarHBondContact O-N 3.2Å; L570-Q573 WeakPolarHBondContact O-CB 3.26Å; L570-Q573 PolarHBondContact O-N 3.3Å
571	F	95.9	Very high	95.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.6	-41.8	178.4	177.3	-115.9	0	0	0	112.2	L495 W505 L508 A509 A512 W524 E567 L568 Q573 H574 V575	L495-F571 HydrophobicContact CD1-CE2 4.32Å; L495-F571 HydrophobicContact CD1-CZ 3.88Å; W505-F571 HydrophobicContact CZ3-CE1 4.37Å; L508-F571 HydrophobicContact CD2-CE1 3.99Å; L508-F571 HydrophobicContact CD2-CZ 4.22Å; L508-F571 HydrophobicContact CG-CE1 4.19Å; L508-F571 HydrophobicContact CG-CZ 4.3Å; A509-F571 HydrophobicContact CB-CB 3.99Å; A509-F571 HydrophobicContact CB-CD1 4.4Å; A509-F571 HydrophobicContact CB-CG 4.4Å; A512-F571 HydrophobicContact CB-CD2 3.53Å; A512-F571 HydrophobicContact CB-CE2 3.84Å; A512-F571 HydrophobicContact CB-CG 4.36Å; W524-F571 HydrophobicContact CB-CZ 4.47Å; W524-F571 AromaticContact CD1-CE2 3.7Å; W524-F571 HydrophobicContact CD2-CE2 4.47Å; W524-F571 HydrophobicContact CG-CE2 4.07Å; W524-F571 HydrophobicContact CG-CZ 4.27Å; W524-F571 AromaticContact NE1-CE2 3.89Å; E567-F571 WeakPolarHBondContact O-CB 3.36Å; E567-F571 PolarHBondContact O-N 3.39Å; L568-F571 HydrophobicContact CD1-CD1 4.45Å; L568-F571 PolarHBondContact O-N 2.84Å; F571-Q573 PolarHBondContact O-N 3.22Å; F571-H574 PolarHBondContact O-N 3.43Å; F571-H574 VanDerWaalsContact O-N 3.08Å; F571-V575 HydrophobicContact CD1-CG2 3.9Å; F571-V575 HydrophobicContact CE1-CG2 3.52Å; F571-V575 HydrophobicContact CE2-CG2 4.36Å; F571-V575 HydrophobicContact CG-CG2 4.47Å; F571-V575 HydrophobicContact CZ-CG2 3.77Å
572	L	96.1	Very high	95.3	Very high	3 Å²	3	17.7 Å²	17.7	2%	0.016	10%	0.101	C	C	.	.	H	α-helix	trans	-61.1	-29.1	-179.3	-76.3	172	0	0	0	112.8	W505 L555 V558 L568 H569 L570 H574 V575 H634	W505-L572 HydrophobicContact CH2-CD2 4.48Å; W505-L572 HydrophobicContact CZ3-CD2 4.12Å; L555-L572 HydrophobicContact CD2-CD1 3.92Å; L555-L572 HydrophobicContact CD2-CD2 3.94Å; V558-L572 HydrophobicContact CG1-CD1 3.67Å; L568-L572 HydrophobicContact CD1-CD1 4.2Å; L568-L572 HydrophobicContact CD1-CG 4.03Å; L568-L572 HydrophobicContact CG-CD1 4.02Å; L568-L572 HydrophobicContact CG-CG 4.32Å; L568-L572 WeakPolarHBondContact O-CB 3.26Å; L568-L572 VanDerWaalsContact O-CG 3.25Å; L568-L572 WeakPolarHBondContact O-CG 3.33Å; L568-L572 PolarHBondContact O-N 3.09Å; H569-L572 PolarHBondContact O-N 3.38Å; L570-L572 PolarHBondContact O-N 3.2Å; L572-H574 PolarHBondContact O-N 3.06Å; L572-V575 HydrophobicContact CD2-CB 4.19Å; L572-V575 HydrophobicContact CD2-CG2 4.25Å; L572-V575 PolarHBondContact O-N 3.23Å; L572-H634 PolarHBondContact O-CE1 2.92Å; L572-H634 PolarHBondContact O-NE2 3.43Å
573	Q	92.4	Very high	94.9	Very high	89 Å²	89	18.9 Å²	18.9	42%	0.416	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-12.5	174.8	-61.5	-179.7	11.7	0	0	113.9	H569 L570 F571	H569-Q573 PolarHBondContact NE2-NE2 3.03Å; H569-Q573 VanDerWaalsContact NE2-NE2 3.18Å; H569-Q573 PolarHBondContact O-N 2.99Å; L570-Q573 WeakPolarHBondContact O-CB 3.26Å; L570-Q573 PolarHBondContact O-N 3.3Å; F571-Q573 PolarHBondContact O-N 3.22Å
574	H	93.9	Very high	94.8	Very high	18 Å²	18	18.1 Å²	18.1	8%	0.083	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.1	2.6	177.1	-54.1	-30.5	0	0	0	113.5	P260 Y261 Y518 W524 F571 L572	P260-H574 VanDerWaalsContact CB-NE2 3.26Å; P260-H574 WeakPolarHBondContact CB-NE2 3.49Å; Y261-H574 AromaticContact CE1-CD2 3.73Å; Y518-H574 AromaticContact CD2-CD2 3.38Å; Y518-H574 WeakPolarHBondContact CD2-CD2 3.38Å; Y518-H574 AromaticContact CD2-NE2 3.53Å; Y518-H574 AromaticContact CE2-CD2 3.52Å; Y518-H574 AromaticContact CE2-CE1 3.73Å; Y518-H574 AromaticContact CE2-CG 3.96Å; Y518-H574 AromaticContact CE2-NE2 3.33Å; Y518-H574 VanDerWaalsContact CE2-NE2 3.33Å; Y518-H574 WeakPolarHBondContact CE2-NE2 3.31Å; W524-H574 PolarHBondContact N-O 2.92Å; F571-H574 PolarHBondContact O-N 3.43Å; F571-H574 VanDerWaalsContact O-N 3.08Å; L572-H574 PolarHBondContact O-N 3.06Å
575	V	97.4	Very high	94.4	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.006	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	128.7	168.6	179.8	0	0	0	0	108.5	W524 V526 F571 L572 H634 L636	W524-V575 HydrophobicContact CB-CG2 4.06Å; W524-V575 CarbonylContact O-C 3.59Å; W524-V575 WeakPolarHBondContact O-CA 3.27Å; V526-V575 HydrophobicContact CG2-CG1 4.01Å; F571-V575 HydrophobicContact CD1-CG2 3.9Å; F571-V575 HydrophobicContact CE1-CG2 3.52Å; F571-V575 HydrophobicContact CE2-CG2 4.36Å; F571-V575 HydrophobicContact CG-CG2 4.47Å; F571-V575 HydrophobicContact CZ-CG2 3.77Å; L572-V575 HydrophobicContact CD2-CB 4.19Å; L572-V575 HydrophobicContact CD2-CG2 4.25Å; L572-V575 PolarHBondContact O-N 3.23Å; V575-H634 PolarHBondContact O-NE2 2.79Å; V575-L636 HydrophobicContact CG1-CD2 4.1Å; V575-L636 WeakPolarHBondContact O-CD2 3.38Å
576	V	97.1	Very high	94	Very high	16 Å²	16	21.2 Å²	21.2	10%	0.097	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-18.7	-175	-57.6	0	0	0	0	113.2	R523 W524 L525 V637 G760	R523-V576 HydrophobicContact CB-CG1 3.86Å; R523-V576 HydrophobicContact CB-CG2 4.44Å; R523-V576 HydrophobicContact CG-CG1 3.98Å; W524-V576 PolarHBondContact O-N 2.74Å; L525-V576 HydrophobicContact CD1-CG2 3.5Å; L525-V576 VanDerWaalsContact CD1-CG2 3.5Å; L525-V576 HydrophobicContact CG-CG2 4.13Å; V576-V637 WeakPolarHBondContact O-CG2 3.44Å; V576-V637 PolarHBondContact O-N 2.82Å; V576-V637 VanDerWaalsContact O-N 3.11Å; V576-G760 VanDerWaalsContact CG1-O 3.24Å; V576-G760 WeakPolarHBondContact CG1-O 3.49Å
577	G	97.6	Very high	93.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.6	-176.5	-176.2	0	0	0	0	0	116.1	L525 V526 V637	L525-G577 WeakPolarHBondContact CA-O 3.41Å; V526-G577 PolarHBondContact N-O 3.11Å; G577-V637 CarbonylContact C-O 3.44Å; G577-V637 WeakPolarHBondContact CA-O 3.42Å
578	F	98.4	Very high	92.7	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.009	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	153	179.3	-70	-77.7	0	0	0	112.7	W505 V526 V528 F552 L555 M621 L636 V637 L638 R639	W505-F578 HydrophobicContact CH2-CE1 4.3Å; W505-F578 HydrophobicContact CZ2-CE1 4.01Å; W505-F578 HydrophobicContact CZ2-CZ 4.4Å; V526-F578 HydrophobicContact CB-CD1 4.24Å; V526-F578 HydrophobicContact CB-CE1 4.36Å; V526-F578 HydrophobicContact CG1-CD1 4.39Å; V526-F578 HydrophobicContact CG1-CE1 4.35Å; V526-F578 CarbonylContact O-C 3.55Å; V526-F578 VanDerWaalsContact O-CA 3.32Å; V526-F578 WeakPolarHBondContact O-CA 3.47Å; V528-F578 HydrophobicContact CG2-CD1 4.48Å; F552-F578 HydrophobicContact CE1-CE2 4.32Å; F552-F578 HydrophobicContact CE1-CZ 4.21Å; L555-F578 HydrophobicContact CD1-CE1 4.37Å; L555-F578 HydrophobicContact CD1-CZ 3.61Å; F578-M621 HydrophobicContact CD2-CG 4.1Å; F578-M621 HydrophobicContact CD2-SD 4.01Å; F578-M621 HydrophobicContact CE2-CG 4.24Å; F578-L636 HydrophobicContact CD2-CB 4.38Å; F578-L636 HydrophobicContact CD2-CD1 4.48Å; F578-L636 HydrophobicContact CE2-CB 4.2Å; F578-L636 HydrophobicContact CE2-CD1 3.6Å; F578-L636 HydrophobicContact CZ-CD1 4.06Å; F578-V637 PolarHBondContact N-O 2.64Å; F578-L638 HydrophobicContact CB-CD1 4.13Å; F578-R639 PolarHBondContact O-N 3.13Å
579	D	98.4	Very high	91.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	150	171	-170.2	-15.7	0	0	0	109.4	R494 L525 V526 Q527 V528 V581 R639 P640 H641	R494-D579 WeakPolarHBondContact CD-OD2 3.41Å; R494-D579 IonicContact CZ-OD2 2.76Å; R494-D579 IonicContact NE-OD2 3.47Å; R494-D579 PolarHBondContact NE-OD2 3.37Å; R494-D579 IonicContact NH2-OD2 3.96Å; L525-D579 HydrophobicContact CD2-CB 4.5Å; V526-D579 PolarHBondContact O-N 2.71Å; Q527-D579 CarbonylContact C-O 3.54Å; Q527-D579 WeakPolarHBondContact CA-O 3.33Å; Q527-D579 HydrophobicContact CB-CB 4.06Å; V528-D579 PolarHBondContact N-O 2.91Å; D579-V581 HydrophobicContact CB-CG1 4.5Å; D579-R639 WeakPolarHBondContact CB-O 3.46Å; D579-P640 VanDerWaalsContact OD1-CA 3.23Å; D579-P640 WeakPolarHBondContact OD1-CA 3.5Å; D579-H641 VanDerWaalsContact CG-ND1 3.3Å; D579-H641 IonicContact OD1-CE1 2.78Å; D579-H641 IonicContact OD1-CG 2.68Å; D579-H641 PolarHBondContact OD1-N 3.02Å; D579-H641 IonicContact OD1-ND1 2.76Å; D579-H641 PolarHBondContact OD1-ND1 2.92Å; D579-H641 IonicContact OD2-CE1 2.72Å; D579-H641 PolarHBondContact OD2-CE1 2.73Å; D579-H641 IonicContact OD2-ND1 3.84Å; D579-H641 PolarHBondContact OD2-ND1 2.83Å
580	S	96.3	Very high	90.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	120	171.1	-167.1	0	0	0	0	109.2	R530 H641	R530-S580 WeakPolarHBondContact CD-OG 3.49Å; R530-S580 WeakPolarHBondContact CG-OG 3.25Å; R530-S580 PolarHBondContact NH1-O 3.49Å; R530-S580 PolarHBondContact NH1-OG 3.24Å; S580-H641 WeakPolarHBondContact O-CB 3.17Å; S580-H641 PolarHBondContact O-N 3.47Å
581	V	94.4	Very high	89.8	Confident	9 Å²	9	36.1 Å²	36.1	6%	0.055	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	173.6	-172.7	-56.6	0	0	0	0	112.7	Q527 V528 P529 R530 D579 H641	Q527-V581 HydrophobicContact CB-CG1 3.73Å; Q527-V581 HydrophobicContact CB-CG2 4Å; Q527-V581 HydrophobicContact CG-CG1 4.45Å; Q527-V581 HydrophobicContact CG-CG2 4.11Å; V528-V581 PolarHBondContact O-N 2.84Å; V528-V581 VanDerWaalsContact O-N 3.17Å; P529-V581 WeakPolarHBondContact CA-O 3.49Å; P529-V581 HydrophobicContact CB-CG2 3.92Å; P529-V581 HydrophobicContact CG-CG2 3.72Å; R530-V581 PolarHBondContact N-O 2.78Å; D579-V581 HydrophobicContact CB-CG1 4.5Å; V581-H641 VanDerWaalsContact CG1-CE1 3.45Å; V581-H641 WeakPolarHBondContact CG1-CE1 3.42Å
582	D	90.3	Very high	89.5	Confident	28 Å²	28	36.4 Å²	36.4	15%	0.15	19%	0.189	C	C	.	.	S	Bend	trans	113.7	165.7	-175.9	-168.6	38.6	0	0	0	112.3	R530 L531 E584 K586	R530-D582 HydrophobicContact CB-CB 4.35Å; R530-D582 PolarHBondContact NH2-O 2.77Å; L531-D582 HydrophobicContact CD2-CB 4.47Å; L531-D582 VanDerWaalsContact CD2-OD2 3.3Å; L531-D582 WeakPolarHBondContact CD2-OD2 3.45Å; D582-E584 PolarHBondContact O-N 2.71Å; D582-K586 IonicContact OD1-NZ 3.51Å; D582-K586 IonicContact OD2-NZ 3.43Å; D582-K586 PolarHBondContact OD2-NZ 3.12Å
583	D	87.2	Confident	89.2	Confident	28 Å²	28	38.6 Å²	38.6	15%	0.15	20%	0.201	C	C	.	.			trans	-54	102.8	-178.3	-172.2	-6.4	0	0	0	112.7	F441 S585 K586	F441-D583 HydrophobicContact CB-CB 4.35Å; F441-D583 WeakPolarHBondContact CB-OD2 3.4Å; F441-D583 HydrophobicContact CD1-CB 3.51Å; F441-D583 HydrophobicContact CD2-CB 4.48Å; F441-D583 HydrophobicContact CE1-CB 3.85Å; F441-D583 HydrophobicContact CG-CB 3.86Å; F441-D583 HydrophobicContact CZ-CB 4.46Å; D583-S585 PolarHBondContact O-N 3.19Å; D583-S585 WeakPolarHBondContact OD1-CA 3.46Å; D583-S585 VanDerWaalsContact OD1-CB 3.3Å; D583-S585 WeakPolarHBondContact OD1-CB 3.39Å; D583-S585 PolarHBondContact OD1-N 3.34Å; D583-S585 PolarHBondContact OD1-OG 2.61Å; D583-K586 HydrophobicContact CB-CD 4.13Å; D583-K586 HydrophobicContact CB-CG 4.03Å; D583-K586 PolarHBondContact O-N 3.05Å
584	E	90.6	Very high	89.1	Confident	11 Å²	11	38.8 Å²	38.8	5%	0.051	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-12.5	178.6	-160.7	178.3	-158.2	0	0	112.8	D582 G643 E644 A645 G646 H650	D582-E584 PolarHBondContact O-N 2.71Å; E584-G643 VanDerWaalsContact CD-N 3.3Å; E584-G643 PolarHBondContact OE1-N 2.96Å; E584-G643 WeakPolarHBondContact OE2-CA 3.46Å; E584-G643 PolarHBondContact OE2-N 3.25Å; E584-E644 PolarHBondContact OE2-N 2.76Å; E584-A645 HydrophobicContact CB-CB 4.22Å; E584-A645 WeakPolarHBondContact CG-O 3.3Å; E584-A645 PolarHBondContact OE2-N 2.87Å; E584-G646 WeakPolarHBondContact O-CA 3.3Å; E584-G646 PolarHBondContact O-N 3.2Å; E584-H650 WeakPolarHBondContact CG-ND1 3.33Å; E584-H650 WeakPolarHBondContact OE1-CB 3.29Å; E584-H650 IonicContact OE1-CE1 2.67Å; E584-H650 IonicContact OE1-CG 3.81Å; E584-H650 IonicContact OE1-ND1 3.79Å; E584-H650 PolarHBondContact OE1-ND1 3.47Å
585	S	85.7	Confident	88.9	Confident	65 Å²	65	44.3 Å²	44.3	46%	0.455	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-6.6	178.5	78.7	0	0	0	0	114.5	D583	D583-S585 PolarHBondContact O-N 3.19Å; D583-S585 WeakPolarHBondContact OD1-CA 3.46Å; D583-S585 VanDerWaalsContact OD1-CB 3.3Å; D583-S585 WeakPolarHBondContact OD1-CB 3.39Å; D583-S585 PolarHBondContact OD1-N 3.34Å; D583-S585 PolarHBondContact OD1-OG 2.61Å
586	K	86.1	Confident	88.7	Confident	80 Å²	80	45 Å²	45	35%	0.348	24%	0.239	S	C	.	.	S	Bend	trans	-62	134.4	174.5	-72.6	173.7	178.1	172.4	0	110.5	D582 D583	D582-K586 IonicContact OD1-NZ 3.51Å; D582-K586 IonicContact OD2-NZ 3.43Å; D582-K586 PolarHBondContact OD2-NZ 3.12Å; D583-K586 HydrophobicContact CB-CD 4.13Å; D583-K586 HydrophobicContact CB-CG 4.03Å; D583-K586 PolarHBondContact O-N 3.05Å
587	P	81.4	Confident	88.6	Confident	96 Å²	96	46.6 Å²	46.6	62%	0.623	25%	0.249	S	C	*	.	P	Polyproline II helix	trans	-70.2	133.5	179.3	29	-34.5	0	0	0	111.3
588	E	82.6	Confident	88.5	Confident	41 Å²	41	49.3 Å²	49.3	19%	0.192	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-91.7	120.3	175.6	-49.3	-161.1	128.5	0	0	109.9	L85 P609 Y610 H649 H650	L85-E588 WeakPolarHBondContact CD2-O 3.26Å; E588-P609 HydrophobicContact CB-CB 4.45Å; E588-P609 WeakPolarHBondContact OE1-CA 3.43Å; E588-Y610 VanDerWaalsContact OE1-CB 3.24Å; E588-Y610 WeakPolarHBondContact OE1-CB 3.35Å; E588-Y610 PolarHBondContact OE1-N 3.45Å; E588-H649 IonicContact OE2-CD2 2.68Å; E588-H649 IonicContact OE2-CE1 3.34Å; E588-H649 PolarHBondContact OE2-CE1 3.24Å; E588-H649 IonicContact OE2-NE2 3.5Å; E588-H649 PolarHBondContact OE2-NE2 2.87Å; E588-H650 IonicContact OE1-NE2 3.65Å; E588-H650 PolarHBondContact OE1-NE2 3.41Å; E588-H650 IonicContact OE2-NE2 3.97Å
589	Q	70.9	Confident	88.4	Confident	139 Å²	139	49.2 Å²	49.2	65%	0.65	26%	0.263	S	S	*	.			trans	-81.7	-21.5	179.9	-66.2	-175.5	67.9	0	0	113.3	D606	Q589-D606 PolarHBondContact NE2-OD1 3.08Å
590	H	74.3	Confident	88.3	Confident	78 Å²	78	50.7 Å²	50.7	36%	0.361	28%	0.275	S	S	.	.			trans	-118.1	130	-171.2	-69.9	97.3	0	0	0	111.4	W602 D606 P609	H590-W602 HydrophobicContact CB-CH2 4.17Å; H590-D606 IonicContact CE1-OD2 3.53Å; H590-D606 PolarHBondContact CE1-OD2 2.98Å; H590-P609 WeakPolarHBondContact O-CB 3.37Å; H590-P609 WeakPolarHBondContact O-CG 3.44Å
591	I	79.3	Confident	88.3	Confident	54 Å²	54	55.7 Å²	55.7	28%	0.277	30%	0.302	S	S	.	.			trans	-83.6	124.3	169.9	-60.3	163.4	0	0	0	107.9	F81 L85 N593 S596	F81-I591 HydrophobicContact CB-CD1 3.49Å; F81-I591 VanDerWaalsContact CB-CD1 3.49Å; F81-I591 HydrophobicContact CB-CG1 3.9Å; F81-I591 HydrophobicContact CD1-CG1 4.01Å; F81-I591 HydrophobicContact CD1-CG2 3.93Å; F81-I591 HydrophobicContact CD2-CD1 4.37Å; F81-I591 HydrophobicContact CD2-CG1 4.5Å; F81-I591 HydrophobicContact CD2-CG2 3.61Å; F81-I591 HydrophobicContact CE1-CG2 3.87Å; F81-I591 HydrophobicContact CE2-CG2 3.56Å; F81-I591 HydrophobicContact CG-CD1 3.93Å; F81-I591 HydrophobicContact CG-CG1 3.92Å; F81-I591 HydrophobicContact CG-CG2 3.8Å; F81-I591 HydrophobicContact CZ-CG2 3.68Å; L85-I591 HydrophobicContact CD1-CD1 4.23Å; L85-I591 HydrophobicContact CD1-CG1 4.46Å; I591-N593 PolarHBondContact O-N 2.75Å; I591-N593 PolarHBondContact O-ND2 3.23Å; I591-S596 PolarHBondContact O-OG 3.49Å
592	F	90.1	Very high	88.3	Confident	6 Å²	6	55.4 Å²	55.4	3%	0.026	30%	0.3	C	S	.	.			trans	-69.9	119.7	174.3	-172.4	-153.5	0	0	0	110.8	L306 Y309 I310 P609 S611 Y612 Y615 Y616	L306-F592 HydrophobicContact CD1-CE1 4.1Å; L306-F592 HydrophobicContact CD1-CE2 3.7Å; L306-F592 HydrophobicContact CD1-CZ 3.28Å; Y309-F592 HydrophobicContact CD1-CD1 4.5Å; Y309-F592 AromaticContact CD1-CE1 3.92Å; Y309-F592 HydrophobicContact CD1-CE1 3.92Å; Y309-F592 AromaticContact CE1-CD1 3.8Å; Y309-F592 HydrophobicContact CE1-CD1 3.8Å; Y309-F592 AromaticContact CE1-CE1 3.53Å; Y309-F592 HydrophobicContact CE1-CE1 3.53Å; I310-F592 HydrophobicContact CD1-CD1 4.02Å; I310-F592 HydrophobicContact CD1-CD2 4.39Å; I310-F592 HydrophobicContact CD1-CE1 4.24Å; I310-F592 HydrophobicContact CD1-CG 4.11Å; F592-P609 HydrophobicContact CB-CG 3.98Å; F592-S611 VanDerWaalsContact CB-OG 3.28Å; F592-S611 WeakPolarHBondContact CB-OG 3.3Å; F592-Y612 AromaticContact CD2-CD2 3.42Å; F592-Y612 HydrophobicContact CD2-CD2 3.42Å; F592-Y612 VanDerWaalsContact CD2-CD2 3.42Å; F592-Y612 HydrophobicContact CD2-CE2 4.2Å; F592-Y612 HydrophobicContact CD2-CG 4.23Å; F592-Y612 AromaticContact CE2-CD2 3.3Å; F592-Y612 HydrophobicContact CE2-CD2 3.3Å; F592-Y612 AromaticContact CE2-CE2 3.8Å; F592-Y612 HydrophobicContact CE2-CE2 3.8Å; F592-Y612 HydrophobicContact CE2-CG 4.08Å; F592-Y612 HydrophobicContact CG-CD2 4.1Å; F592-Y612 AromaticContact CZ-CD2 3.9Å; F592-Y612 HydrophobicContact CZ-CD2 3.9Å; F592-Y612 HydrophobicContact CZ-CG 4.25Å; F592-Y615 HydrophobicContact CE1-CD1 4.05Å; F592-Y615 AromaticContact CE1-CG 3.98Å; F592-Y615 HydrophobicContact CE1-CG 3.98Å; F592-Y615 AromaticContact CZ-CD1 3.79Å; F592-Y615 HydrophobicContact CZ-CD1 3.79Å; F592-Y615 HydrophobicContact CZ-CG 4.19Å; F592-Y616 HydrophobicContact CE2-CE2 4.47Å; F592-Y616 HydrophobicContact CZ-CE2 4.06Å
593	N	89.8	Confident	88.5	Confident	50 Å²	50	57.4 Å²	57.4	27%	0.267	31%	0.313	S	S	.	.	S	Bend	trans	-153.5	-176.3	-176.9	61.5	26.9	0	0	0	110	I591 D595 S596	I591-N593 PolarHBondContact O-N 2.75Å; I591-N593 PolarHBondContact O-ND2 3.23Å; N593-D595 PolarHBondContact O-N 2.79Å; N593-D595 WeakPolarHBondContact OD1-CA 3.38Å; N593-D595 PolarHBondContact OD1-N 2.95Å; N593-S596 PolarHBondContact N-OG 3.45Å; N593-S596 VanDerWaalsContact O-CB 3.22Å; N593-S596 WeakPolarHBondContact O-CB 3.46Å; N593-S596 PolarHBondContact O-N 3.31Å; N593-S596 PolarHBondContact O-OG 3.39Å; N593-S596 PolarHBondContact OD1-N 2.83Å; N593-S596 PolarHBondContact OD1-OG 2.97Å
594	L	89.7	Confident	88.5	Confident	92 Å²	92	61.5 Å²	61.5	48%	0.482	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-15.2	-179.1	-64	170.1	0	0	0	114.4	L306 Q307 I310	L306-L594 HydrophobicContact CD2-CD2 4.48Å; L306-L594 HydrophobicContact CG-CD2 4.01Å; Q307-L594 HydrophobicContact CB-CD2 4.22Å; Q307-L594 HydrophobicContact CG-CD1 4.36Å; I310-L594 HydrophobicContact CB-CD2 4.26Å; I310-L594 HydrophobicContact CB-CG 4.26Å; I310-L594 HydrophobicContact CG1-CD2 4.2Å; I310-L594 HydrophobicContact CG1-CG 4.43Å; I310-L594 HydrophobicContact CG2-CG 4.14Å
595	D	90	Very high	88.3	Confident	135 Å²	135	67.6 Å²	67.6	72%	0.722	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-6.2	176	-55.4	-60.6	0	0	0	111.8	N593	N593-D595 PolarHBondContact O-N 2.79Å; N593-D595 WeakPolarHBondContact OD1-CA 3.38Å; N593-D595 PolarHBondContact OD1-N 2.95Å
596	S	92.8	Very high	88.5	Confident	15 Å²	15	67.2 Å²	67.2	11%	0.105	35%	0.353	C	S	.	.	S	Bend	trans	-68	138.9	176.9	-60	0	0	0	0	111	I591 N593 L598	I591-S596 PolarHBondContact O-OG 3.49Å; N593-S596 PolarHBondContact N-OG 3.45Å; N593-S596 VanDerWaalsContact O-CB 3.22Å; N593-S596 WeakPolarHBondContact O-CB 3.46Å; N593-S596 PolarHBondContact O-N 3.31Å; N593-S596 PolarHBondContact O-OG 3.39Å; N593-S596 PolarHBondContact OD1-N 2.83Å; N593-S596 PolarHBondContact OD1-OG 2.97Å; S596-L598 PolarHBondContact O-N 3.15Å
597	P	94.4	Very high	88.8	Confident	49 Å²	49	65.6 Å²	65.6	32%	0.318	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-65.4	138.7	-177	23.5	-29.4	0	0	0	111.3	N601 W602 Y612	P597-N601 HydrophobicContact CB-CB 4.27Å; P597-W602 HydrophobicContact CG-CD2 4.06Å; P597-W602 HydrophobicContact CG-CE3 3.56Å; P597-W602 HydrophobicContact CG-CZ3 3.97Å; P597-Y612 WeakPolarHBondContact O-CE2 3.11Å; P597-Y612 PolarHBondContact O-OH 2.98Å
598	L	95.9	Very high	89.4	Confident	57 Å²	57	61.1 Å²	61.1	30%	0.298	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-63.1	154.9	173.9	-62.6	172.8	0	0	0	110.8	N281 L306 S596 A600 N601 W602 Y612	N281-L598 HydrophobicContact CB-CD1 4.14Å; L306-L598 HydrophobicContact CD2-CD2 4.22Å; S596-L598 PolarHBondContact O-N 3.15Å; L598-A600 VanDerWaalsContact C-N 3.26Å; L598-A600 PolarHBondContact O-N 3.05Å; L598-N601 CarbonylContact O-C 3.58Å; L598-N601 WeakPolarHBondContact O-CA 3.47Å; L598-N601 WeakPolarHBondContact O-CB 3.3Å; L598-N601 PolarHBondContact O-N 3.37Å; L598-W602 PolarHBondContact O-N 3.23Å; L598-Y612 VanDerWaalsContact C-OH 3.28Å
599	P	96.9	Very high	90	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-33.6	-172.4	-37.8	42.7	0	0	0	116.2	N281 F544 Q545 L548 N601 W602 Y612 Y616	N281-P599 WeakPolarHBondContact O-CD 3.31Å; F544-P599 HydrophobicContact CB-CB 4.36Å; F544-P599 HydrophobicContact CD1-CB 3.99Å; F544-P599 HydrophobicContact CD1-CG 4.15Å; F544-P599 PolarHBondContact N-O 2.96Å; Q545-P599 HydrophobicContact CB-CB 3.91Å; Q545-P599 PolarHBondContact N-O 3.28Å; L548-P599 HydrophobicContact CD1-CB 3.93Å; L548-P599 HydrophobicContact CD1-CG 3.98Å; P599-N601 PolarHBondContact O-N 2.93Å; P599-W602 PolarHBondContact O-N 3.37Å; P599-Y612 WeakPolarHBondContact CA-OH 3.32Å; P599-Y612 WeakPolarHBondContact CD-OH 3.33Å; P599-Y612 HydrophobicContact CG-CE1 4.02Å; P599-Y612 WeakPolarHBondContact CG-OH 3.43Å; P599-Y612 VanDerWaalsContact N-OH 3.08Å; P599-Y616 VanDerWaalsContact CD-CZ 3.41Å; P599-Y616 WeakPolarHBondContact CD-OH 3.42Å; P599-Y616 HydrophobicContact CG-CD1 3.83Å; P599-Y616 HydrophobicContact CG-CD2 3.9Å; P599-Y616 HydrophobicContact CG-CE1 3.55Å; P599-Y616 HydrophobicContact CG-CE2 3.64Å; P599-Y616 HydrophobicContact CG-CG 4.01Å; P599-Y616 VanDerWaalsContact CG-CZ 3.47Å
600	A	96	Very high	91.1	Very high	31 Å²	31	52.8 Å²	52.8	26%	0.256	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-23.6	176	0	0	0	0	0	113.2	Q545 L598	Q545-A600 HydrophobicContact CB-CB 4.33Å; L598-A600 VanDerWaalsContact C-N 3.26Å; L598-A600 PolarHBondContact O-N 3.05Å
601	N	95.8	Very high	92.1	Very high	105 Å²	105	49.1 Å²	49.1	56%	0.561	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	-5.5	-177.7	-58.7	-19.3	0	0	0	112.5	P597 L598 P599 T603	P597-N601 HydrophobicContact CB-CB 4.27Å; L598-N601 CarbonylContact O-C 3.58Å; L598-N601 WeakPolarHBondContact O-CA 3.47Å; L598-N601 WeakPolarHBondContact O-CB 3.3Å; L598-N601 PolarHBondContact O-N 3.37Å; P599-N601 PolarHBondContact O-N 2.93Å; N601-T603 VanDerWaalsContact C-N 3.31Å; N601-T603 PolarHBondContact O-N 2.78Å
602	W	95.3	Very high	93	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.015	25%	0.251	C	S	.	.			trans	-77.3	86.4	172.9	-162.1	-61.5	0	0	0	109.1	F532 N543 F544 H590 P597 L598 P599 D606 P608 Y612	F532-W602 AromaticContact CE1-CD1 3.76Å; N543-W602 VanDerWaalsContact CA-O 3.28Å; N543-W602 WeakPolarHBondContact CA-O 3.45Å; F544-W602 HydrophobicContact CB-CB 3.94Å; F544-W602 HydrophobicContact CB-CG 4.41Å; F544-W602 PolarHBondContact N-O 3.23Å; H590-W602 HydrophobicContact CB-CH2 4.17Å; P597-W602 HydrophobicContact CG-CD2 4.06Å; P597-W602 HydrophobicContact CG-CE3 3.56Å; P597-W602 HydrophobicContact CG-CZ3 3.97Å; L598-W602 PolarHBondContact O-N 3.23Å; P599-W602 PolarHBondContact O-N 3.37Å; W602-D606 PolarHBondContact NE1-O 2.76Å; W602-P608 HydrophobicContact CD2-CB 4.34Å; W602-P608 HydrophobicContact CD2-CG 3.87Å; W602-P608 HydrophobicContact CE3-CB 4.43Å; W602-P608 HydrophobicContact CE3-CG 4.4Å; W602-P608 HydrophobicContact CG-CG 4.19Å; W602-P608 HydrophobicContact CH2-CB 4.25Å; W602-P608 HydrophobicContact CZ2-CB 4.1Å; W602-P608 HydrophobicContact CZ2-CG 4.12Å; W602-P608 HydrophobicContact CZ3-CB 4.39Å; W602-Y612 HydrophobicContact CE3-CD2 4.15Å; W602-Y612 HydrophobicContact CE3-CE1 4.35Å; W602-Y612 AromaticContact CE3-CE2 3.52Å; W602-Y612 HydrophobicContact CE3-CE2 3.52Å; W602-Y612 AromaticContact CE3-CZ 3.62Å; W602-Y612 AromaticContact CZ3-CD2 3.85Å; W602-Y612 HydrophobicContact CZ3-CD2 3.85Å; W602-Y612 AromaticContact CZ3-CE2 3.61Å; W602-Y612 HydrophobicContact CZ3-CE2 3.61Å
603	T	93.4	Very high	93.3	Very high	69 Å²	69	46.4 Å²	46.4	42%	0.423	25%	0.25	S	C	.	.			trans	-115.3	10.6	179.6	57.4	0	0	0	0	112.7	H536 N543 N601	H536-T603 PolarHBondContact CE1-O 2.94Å; N543-T603 HydrophobicContact CB-CG2 3.96Å; N601-T603 VanDerWaalsContact C-N 3.31Å; N601-T603 PolarHBondContact O-N 2.78Å
604	E	88.1	Confident	93.7	Very high	115 Å²	115	44 Å²	44	54%	0.537	24%	0.237	S	C	.	.	S	Bend	trans	-77.1	159.5	177.2	-60.7	-55.7	145.4	0	0	111.1	H536 D606	H536-E604 PolarHBondContact ND1-O 3.41Å; E604-D606 VanDerWaalsContact C-N 3.29Å
605	E	86.3	Confident	94.1	Very high	139 Å²	139	40 Å²	40	65%	0.65	22%	0.215	S	C	*	.	S	Bend	trans	-73.8	-21	176.9	-65	-170.4	166.1	0	0	112.7
606	D	88.6	Confident	94.5	Very high	56 Å²	56	33.7 Å²	33.7	30%	0.299	18%	0.182	S	C	.	.	S	Bend	trans	-70.5	137.9	176.7	-70.5	-44	0	0	0	112.4	Q589 H590 W602 E604	Q589-D606 PolarHBondContact NE2-OD1 3.08Å; H590-D606 IonicContact CE1-OD2 3.53Å; H590-D606 PolarHBondContact CE1-OD2 2.98Å; W602-D606 PolarHBondContact NE1-O 2.76Å; E604-D606 VanDerWaalsContact C-N 3.29Å
607	N	92.4	Very high	94.7	Very high	46 Å²	46	33.3 Å²	33.3	25%	0.246	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-67.1	136.6	175.8	-155	21.6	0	0	0	110.5	R530 D533 Y613	R530-N607 PolarHBondContact O-ND2 3.47Å; D533-N607 HydrophobicContact CB-CB 3.86Å; N607-Y613 PolarHBondContact OD1-OH 2.66Å
608	P	94.8	Very high	94.9	Very high	3 Å²	3	31 Å²	31	2%	0.019	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-57.8	147.4	169.1	-21.3	29.7	0	0	0	111.8	F532 F544 W602 Y612 Y613	F532-P608 HydrophobicContact CD1-CG 4.38Å; F544-P608 HydrophobicContact CD2-CG 3.74Å; F544-P608 HydrophobicContact CE2-CG 3.98Å; F544-P608 HydrophobicContact CG-CG 4.17Å; W602-P608 HydrophobicContact CD2-CB 4.34Å; W602-P608 HydrophobicContact CD2-CG 3.87Å; W602-P608 HydrophobicContact CE3-CB 4.43Å; W602-P608 HydrophobicContact CE3-CG 4.4Å; W602-P608 HydrophobicContact CG-CG 4.19Å; W602-P608 HydrophobicContact CH2-CB 4.25Å; W602-P608 HydrophobicContact CZ2-CB 4.1Å; W602-P608 HydrophobicContact CZ2-CG 4.12Å; W602-P608 HydrophobicContact CZ3-CB 4.39Å; P608-Y612 HydrophobicContact CB-CD1 3.73Å; P608-Y612 HydrophobicContact CB-CE1 4.27Å; P608-Y612 HydrophobicContact CB-CG 3.96Å; P608-Y612 HydrophobicContact CG-CD1 4.44Å; P608-Y613 HydrophobicContact CB-CD2 4.08Å; P608-Y613 HydrophobicContact CB-CE2 3.9Å; P608-Y613 HydrophobicContact CG-CE2 4.16Å; P608-Y613 WeakPolarHBondContact O-CD2 3.39Å; P608-Y613 VanDerWaalsContact O-CE2 3.26Å; P608-Y613 WeakPolarHBondContact O-CE2 3.47Å
609	P	94.3	Very high	95.1	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.019	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-69.1	159.4	178	29.5	-35.3	0	0	0	111.9	E588 H590 F592 S611 Y612 Y613	E588-P609 HydrophobicContact CB-CB 4.45Å; E588-P609 WeakPolarHBondContact OE1-CA 3.43Å; H590-P609 WeakPolarHBondContact O-CB 3.37Å; H590-P609 WeakPolarHBondContact O-CG 3.44Å; F592-P609 HydrophobicContact CB-CG 3.98Å; P609-S611 VanDerWaalsContact C-N 3.29Å; P609-S611 PolarHBondContact O-N 2.99Å; P609-Y612 WeakPolarHBondContact O-CA 3.32Å; P609-Y612 WeakPolarHBondContact O-CB 3.4Å; P609-Y612 PolarHBondContact O-N 3.43Å; P609-Y613 PolarHBondContact O-N 3.18Å; P609-Y613 VanDerWaalsContact O-N 3.17Å
610	Y	95.5	Very high	95.1	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.008	15%	0.149	C	C	.	.	H	α-helix	trans	-51.1	-44.1	-177.4	179.3	-87.7	0	0	0	113.1	E588 Y612 Y613 L614 H641 C642 H650	E588-Y610 VanDerWaalsContact OE1-CB 3.24Å; E588-Y610 WeakPolarHBondContact OE1-CB 3.35Å; E588-Y610 PolarHBondContact OE1-N 3.45Å; Y610-Y612 VanDerWaalsContact C-N 3.28Å; Y610-Y612 PolarHBondContact O-N 2.81Å; Y610-Y613 PolarHBondContact O-N 3.09Å; Y610-L614 HydrophobicContact CD1-CD1 4.09Å; Y610-L614 HydrophobicContact CD1-CG 4.15Å; Y610-L614 HydrophobicContact CE1-CD1 3.29Å; Y610-L614 HydrophobicContact CE1-CG 3.74Å; Y610-L614 PolarHBondContact O-N 2.92Å; Y610-H641 WeakPolarHBondContact CE2-O 3.38Å; Y610-H641 PolarHBondContact OH-O 2.6Å; Y610-C642 WeakPolarHBondContact OH-CA 3.28Å; Y610-C642 VanDerWaalsContact OH-CB 3.27Å; Y610-C642 WeakPolarHBondContact OH-CB 3.35Å; Y610-C642 PolarHBondContact OH-SG 2.78Å; Y610-H650 VanDerWaalsContact CB-NE2 3.34Å; Y610-H650 WeakPolarHBondContact CB-NE2 3.42Å; Y610-H650 HydrophobicContact CD1-CB 3.73Å; Y610-H650 AromaticContact CD1-CD2 3.68Å; Y610-H650 AromaticContact CD1-CG 3.57Å; Y610-H650 AromaticContact CD2-CE1 3.95Å; Y610-H650 AromaticContact CD2-ND1 3.78Å; Y610-H650 HydrophobicContact CE1-CB 3.63Å; Y610-H650 AromaticContact CE1-CG 3.95Å; Y610-H650 HydrophobicContact CG-CB 4.27Å; Y610-H650 AromaticContact CG-CD2 3.66Å; Y610-H650 AromaticContact CG-CE1 3.81Å; Y610-H650 AromaticContact CG-CG 3.65Å; Y610-H650 AromaticContact CG-ND1 3.75Å; Y610-H650 AromaticContact CG-NE2 3.79Å
611	S	95.5	Very high	95.3	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.007	14%	0.137	C	C	.	.	H	α-helix	trans	-67.5	-27.1	178.8	57.3	0	0	0	0	113.2	F592 P609 Y615 S653	F592-S611 VanDerWaalsContact CB-OG 3.28Å; F592-S611 WeakPolarHBondContact CB-OG 3.3Å; P609-S611 VanDerWaalsContact C-N 3.29Å; P609-S611 PolarHBondContact O-N 2.99Å; S611-Y615 VanDerWaalsContact O-CB 3.3Å; S611-Y615 WeakPolarHBondContact O-CB 3.32Å; S611-Y615 PolarHBondContact O-N 3.23Å; S611-S653 VanDerWaalsContact CB-OG 3.31Å; S611-S653 WeakPolarHBondContact CB-OG 3.25Å
612	Y	96.7	Very high	95.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-70.8	-48.3	173.3	-168.7	-72.1	0	0	0	110.3	F544 F592 P597 L598 P599 W602 P608 P609 Y610 Y615 Y616	F544-Y612 HydrophobicContact CD1-CD1 4.2Å; F544-Y612 AromaticContact CD1-CE1 3.54Å; F544-Y612 HydrophobicContact CD1-CE1 3.54Å; F544-Y612 AromaticContact CE1-CD1 3.89Å; F544-Y612 HydrophobicContact CE1-CD1 3.89Å; F544-Y612 AromaticContact CE1-CE1 3.69Å; F544-Y612 HydrophobicContact CE1-CE1 3.69Å; F544-Y612 HydrophobicContact CG-CE1 4.29Å; F544-Y612 HydrophobicContact CZ-CD1 4.45Å; F592-Y612 AromaticContact CD2-CD2 3.42Å; F592-Y612 HydrophobicContact CD2-CD2 3.42Å; F592-Y612 VanDerWaalsContact CD2-CD2 3.42Å; F592-Y612 HydrophobicContact CD2-CE2 4.2Å; F592-Y612 HydrophobicContact CD2-CG 4.23Å; F592-Y612 AromaticContact CE2-CD2 3.3Å; F592-Y612 HydrophobicContact CE2-CD2 3.3Å; F592-Y612 AromaticContact CE2-CE2 3.8Å; F592-Y612 HydrophobicContact CE2-CE2 3.8Å; F592-Y612 HydrophobicContact CE2-CG 4.08Å; F592-Y612 HydrophobicContact CG-CD2 4.1Å; F592-Y612 AromaticContact CZ-CD2 3.9Å; F592-Y612 HydrophobicContact CZ-CD2 3.9Å; F592-Y612 HydrophobicContact CZ-CG 4.25Å; P597-Y612 WeakPolarHBondContact O-CE2 3.11Å; P597-Y612 PolarHBondContact O-OH 2.98Å; L598-Y612 VanDerWaalsContact C-OH 3.28Å; P599-Y612 WeakPolarHBondContact CA-OH 3.32Å; P599-Y612 WeakPolarHBondContact CD-OH 3.33Å; P599-Y612 HydrophobicContact CG-CE1 4.02Å; P599-Y612 WeakPolarHBondContact CG-OH 3.43Å; P599-Y612 VanDerWaalsContact N-OH 3.08Å; W602-Y612 HydrophobicContact CE3-CD2 4.15Å; W602-Y612 HydrophobicContact CE3-CE1 4.35Å; W602-Y612 AromaticContact CE3-CE2 3.52Å; W602-Y612 HydrophobicContact CE3-CE2 3.52Å; W602-Y612 AromaticContact CE3-CZ 3.62Å; W602-Y612 AromaticContact CZ3-CD2 3.85Å; W602-Y612 HydrophobicContact CZ3-CD2 3.85Å; W602-Y612 AromaticContact CZ3-CE2 3.61Å; W602-Y612 HydrophobicContact CZ3-CE2 3.61Å; P608-Y612 HydrophobicContact CB-CD1 3.73Å; P608-Y612 HydrophobicContact CB-CE1 4.27Å; P608-Y612 HydrophobicContact CB-CG 3.96Å; P608-Y612 HydrophobicContact CG-CD1 4.44Å; P609-Y612 WeakPolarHBondContact O-CA 3.32Å; P609-Y612 WeakPolarHBondContact O-CB 3.4Å; P609-Y612 PolarHBondContact O-N 3.43Å; Y610-Y612 VanDerWaalsContact C-N 3.28Å; Y610-Y612 PolarHBondContact O-N 2.81Å; Y612-Y615 PolarHBondContact O-N 3.35Å; Y612-Y616 AromaticContact CD1-CD2 3.55Å; Y612-Y616 HydrophobicContact CD1-CD2 3.55Å; Y612-Y616 AromaticContact CD1-CE2 3.81Å; Y612-Y616 HydrophobicContact CD1-CE2 3.81Å; Y612-Y616 HydrophobicContact CD2-CE2 4.2Å; Y612-Y616 AromaticContact CE1-CD2 3.44Å; Y612-Y616 HydrophobicContact CE1-CD2 3.44Å; Y612-Y616 VanDerWaalsContact CE1-CD2 3.44Å; Y612-Y616 AromaticContact CE1-CE2 3.45Å; Y612-Y616 HydrophobicContact CE1-CE2 3.45Å; Y612-Y616 VanDerWaalsContact CE1-CE2 3.45Å; Y612-Y616 AromaticContact CE2-CE2 3.87Å; Y612-Y616 HydrophobicContact CE2-CE2 3.87Å; Y612-Y616 HydrophobicContact CG-CD2 4.18Å; Y612-Y616 HydrophobicContact CG-CE2 4.16Å; Y612-Y616 AromaticContact CZ-CE2 3.49Å; Y612-Y616 VanDerWaalsContact CZ-CE2 3.49Å; Y612-Y616 WeakPolarHBondContact O-CD2 3.29Å; Y612-Y616 PolarHBondContact O-N 3.38Å; Y612-Y616 VanDerWaalsContact O-N 3.15Å
613	Y	97.1	Very high	95.5	Very high	3 Å²	3	21.8 Å²	21.8	1%	0.012	11%	0.11	C	C	.	.	H	α-helix	trans	-55.8	-52.5	172.9	-86.3	-92	0	0	0	111.4	R530 L531 F532 F544 M547 N607 P608 P609 Y610 Y615 M617	R530-Y613 VanDerWaalsContact C-OH 3.23Å; R530-Y613 WeakPolarHBondContact CA-OH 3.19Å; R530-Y613 HydrophobicContact CB-CD1 4.35Å; R530-Y613 HydrophobicContact CB-CD2 4.3Å; R530-Y613 HydrophobicContact CB-CE1 3.99Å; R530-Y613 HydrophobicContact CB-CE2 3.94Å; R530-Y613 HydrophobicContact CB-CG 4.48Å; R530-Y613 HydrophobicContact CG-CD1 3.84Å; R530-Y613 HydrophobicContact CG-CD2 4.06Å; R530-Y613 HydrophobicContact CG-CE1 3.98Å; R530-Y613 HydrophobicContact CG-CE2 4.2Å; R530-Y613 HydrophobicContact CG-CG 3.86Å; L531-Y613 PolarHBondContact N-OH 2.89Å; F532-Y613 WeakPolarHBondContact CB-OH 3.4Å; F532-Y613 PolarHBondContact N-OH 3.04Å; F544-Y613 AromaticContact CE2-CD1 3.93Å; F544-Y613 HydrophobicContact CE2-CD1 3.93Å; F544-Y613 AromaticContact CE2-CE1 3.48Å; F544-Y613 HydrophobicContact CE2-CE1 3.48Å; F544-Y613 VanDerWaalsContact CE2-CE1 3.48Å; F544-Y613 HydrophobicContact CE2-CE2 4.17Å; F544-Y613 HydrophobicContact CE2-CG 4.46Å; F544-Y613 AromaticContact CE2-CZ 3.63Å; F544-Y613 AromaticContact CZ-CD1 3.67Å; F544-Y613 HydrophobicContact CZ-CD1 3.67Å; F544-Y613 HydrophobicContact CZ-CD2 4.46Å; F544-Y613 AromaticContact CZ-CE1 3.74Å; F544-Y613 HydrophobicContact CZ-CE1 3.74Å; F544-Y613 HydrophobicContact CZ-CG 4.07Å; M547-Y613 HydrophobicContact CE-CE1 4.09Å; M547-Y613 HydrophobicContact SD-CE1 4.21Å; N607-Y613 PolarHBondContact OD1-OH 2.66Å; P608-Y613 HydrophobicContact CB-CD2 4.08Å; P608-Y613 HydrophobicContact CB-CE2 3.9Å; P608-Y613 HydrophobicContact CG-CE2 4.16Å; P608-Y613 WeakPolarHBondContact O-CD2 3.39Å; P608-Y613 VanDerWaalsContact O-CE2 3.26Å; P608-Y613 WeakPolarHBondContact O-CE2 3.47Å; P609-Y613 PolarHBondContact O-N 3.18Å; P609-Y613 VanDerWaalsContact O-N 3.17Å; Y610-Y613 PolarHBondContact O-N 3.09Å; Y613-Y615 PolarHBondContact O-N 3Å; Y613-M617 WeakPolarHBondContact O-CB 3.43Å; Y613-M617 VanDerWaalsContact O-CG 3.3Å; Y613-M617 WeakPolarHBondContact O-CG 3.43Å; Y613-M617 PolarHBondContact O-N 3.18Å
614	L	97.7	Very high	95.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.4	-43.8	-178.3	-72.2	-160	0	0	0	112.6	Y610 M617 Y618 P640 L657	Y610-L614 HydrophobicContact CD1-CD1 4.09Å; Y610-L614 HydrophobicContact CD1-CG 4.15Å; Y610-L614 HydrophobicContact CE1-CD1 3.29Å; Y610-L614 HydrophobicContact CE1-CG 3.74Å; Y610-L614 PolarHBondContact O-N 2.92Å; L614-M617 HydrophobicContact CD2-CE 3.93Å; L614-M617 PolarHBondContact O-N 3.08Å; L614-Y618 WeakPolarHBondContact O-CB 3.47Å; L614-Y618 PolarHBondContact O-N 3.22Å; L614-P640 HydrophobicContact CD1-CG 4.16Å; L614-P640 HydrophobicContact CD2-CB 3.86Å; L614-P640 HydrophobicContact CD2-CG 4.21Å; L614-L657 HydrophobicContact CB-CD1 3.9Å
615	Y	98.3	Very high	96.3	Very high	6 Å²	6	13 Å²	13	2%	0.024	7%	0.065	C	C	.	.	H	α-helix	trans	-59.8	-50.9	178.8	167.8	-99.3	0	0	0	112.2	P304 L306 Y309 F592 S611 Y612 Y613 M617 Y618 A619	P304-Y615 PolarHBondContact O-OH 3.04Å; L306-Y615 WeakPolarHBondContact CA-OH 3.2Å; L306-Y615 HydrophobicContact CB-CE1 4.36Å; L306-Y615 HydrophobicContact CD1-CD1 4.15Å; L306-Y615 HydrophobicContact CD1-CE1 3.84Å; L306-Y615 PolarHBondContact N-OH 3.01Å; L306-Y615 VanDerWaalsContact N-OH 3.08Å; Y309-Y615 AromaticContact CD1-CD2 3.56Å; Y309-Y615 HydrophobicContact CD1-CD2 3.56Å; Y309-Y615 HydrophobicContact CD1-CE2 4.25Å; Y309-Y615 AromaticContact CD1-CG 3.91Å; Y309-Y615 HydrophobicContact CD1-CG 3.91Å; Y309-Y615 AromaticContact CD2-CD2 3.82Å; Y309-Y615 HydrophobicContact CD2-CD2 3.82Å; Y309-Y615 HydrophobicContact CE1-CD2 4.17Å; Y309-Y615 HydrophobicContact CE1-CG 4.19Å; Y309-Y615 HydrophobicContact CE2-CD2 4.39Å; Y309-Y615 AromaticContact CG-CD2 3.36Å; Y309-Y615 HydrophobicContact CG-CD2 3.36Å; Y309-Y615 AromaticContact CG-CE2 3.88Å; Y309-Y615 HydrophobicContact CG-CE2 3.88Å; Y309-Y615 HydrophobicContact CG-CG 4.17Å; F592-Y615 HydrophobicContact CE1-CD1 4.05Å; F592-Y615 AromaticContact CE1-CG 3.98Å; F592-Y615 HydrophobicContact CE1-CG 3.98Å; F592-Y615 AromaticContact CZ-CD1 3.79Å; F592-Y615 HydrophobicContact CZ-CD1 3.79Å; F592-Y615 HydrophobicContact CZ-CG 4.19Å; S611-Y615 VanDerWaalsContact O-CB 3.3Å; S611-Y615 WeakPolarHBondContact O-CB 3.32Å; S611-Y615 PolarHBondContact O-N 3.23Å; Y612-Y615 PolarHBondContact O-N 3.35Å; Y613-Y615 PolarHBondContact O-N 3Å; Y615-M617 PolarHBondContact O-N 3.03Å; Y615-Y618 PolarHBondContact O-N 3.18Å; Y615-A619 WeakPolarHBondContact O-CB 3.28Å; Y615-A619 PolarHBondContact O-N 2.65Å
616	Y	98.4	Very high	96.8	Very high	4 Å²	4	8 Å²	8	2%	0.016	4%	0.041	C	C	.	.	H	α-helix	trans	-71	-32.2	-178.6	-75.1	-73.3	0	0	0	112.6	N281 V283 L548 F592 P599 Y612 N620	N281-Y616 WeakPolarHBondContact O-CE1 3.18Å; V283-Y616 HydrophobicContact CG2-CD1 4.29Å; V283-Y616 HydrophobicContact CG2-CE1 4.4Å; L548-Y616 HydrophobicContact CD1-CD1 4.27Å; L548-Y616 HydrophobicContact CD1-CG 4.06Å; F592-Y616 HydrophobicContact CE2-CE2 4.47Å; F592-Y616 HydrophobicContact CZ-CE2 4.06Å; P599-Y616 VanDerWaalsContact CD-CZ 3.41Å; P599-Y616 WeakPolarHBondContact CD-OH 3.42Å; P599-Y616 HydrophobicContact CG-CD1 3.83Å; P599-Y616 HydrophobicContact CG-CD2 3.9Å; P599-Y616 HydrophobicContact CG-CE1 3.55Å; P599-Y616 HydrophobicContact CG-CE2 3.64Å; P599-Y616 HydrophobicContact CG-CG 4.01Å; P599-Y616 VanDerWaalsContact CG-CZ 3.47Å; Y612-Y616 AromaticContact CD1-CD2 3.55Å; Y612-Y616 HydrophobicContact CD1-CD2 3.55Å; Y612-Y616 AromaticContact CD1-CE2 3.81Å; Y612-Y616 HydrophobicContact CD1-CE2 3.81Å; Y612-Y616 HydrophobicContact CD2-CE2 4.2Å; Y612-Y616 AromaticContact CE1-CD2 3.44Å; Y612-Y616 HydrophobicContact CE1-CD2 3.44Å; Y612-Y616 VanDerWaalsContact CE1-CD2 3.44Å; Y612-Y616 AromaticContact CE1-CE2 3.45Å; Y612-Y616 HydrophobicContact CE1-CE2 3.45Å; Y612-Y616 VanDerWaalsContact CE1-CE2 3.45Å; Y612-Y616 AromaticContact CE2-CE2 3.87Å; Y612-Y616 HydrophobicContact CE2-CE2 3.87Å; Y612-Y616 HydrophobicContact CG-CD2 4.18Å; Y612-Y616 HydrophobicContact CG-CE2 4.16Å; Y612-Y616 AromaticContact CZ-CE2 3.49Å; Y612-Y616 VanDerWaalsContact CZ-CE2 3.49Å; Y612-Y616 WeakPolarHBondContact O-CD2 3.29Å; Y612-Y616 PolarHBondContact O-N 3.38Å; Y612-Y616 VanDerWaalsContact O-N 3.15Å; Y616-N620 PolarHBondContact O-N 2.96Å; Y616-N620 PolarHBondContact O-ND2 3.05Å
617	M	98.3	Very high	97.2	Very high	6 Å²	6	5.3 Å²	5.3	3%	0.03	3%	0.027	C	C	.	.	H	α-helix	trans	-65.1	-46.8	170.5	-70.9	-159.8	-41	0	0	111.7	V528 F552 Y613 L614 Y615 M621 L638	V528-M617 HydrophobicContact CB-SD 3.9Å; V528-M617 HydrophobicContact CG1-SD 4.22Å; V528-M617 HydrophobicContact CG2-SD 4.12Å; F552-M617 HydrophobicContact CE2-CG 4.36Å; F552-M617 HydrophobicContact CZ-CB 4.19Å; F552-M617 HydrophobicContact CZ-CG 4.38Å; F552-M617 WeakPolarHBondContact CZ-O 3.38Å; Y613-M617 WeakPolarHBondContact O-CB 3.43Å; Y613-M617 VanDerWaalsContact O-CG 3.3Å; Y613-M617 WeakPolarHBondContact O-CG 3.43Å; Y613-M617 PolarHBondContact O-N 3.18Å; L614-M617 HydrophobicContact CD2-CE 3.93Å; L614-M617 PolarHBondContact O-N 3.08Å; Y615-M617 PolarHBondContact O-N 3.03Å; M617-M621 VanDerWaalsContact O-CB 3.23Å; M617-M621 WeakPolarHBondContact O-CB 3.41Å; M617-M621 PolarHBondContact O-N 2.82Å; M617-L638 HydrophobicContact CE-CD1 3.93Å
618	Y	98.6	Very high	97.4	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-59.9	-46.7	178.2	170.3	-83.2	0	0	0	111.8	Y202 S206 P304 L614 Y615 N620 M621 T622 L638 L657	Y202-Y618 WeakPolarHBondContact CA-OH 3.45Å; Y202-Y618 AromaticContact CD1-CE1 3.85Å; Y202-Y618 HydrophobicContact CD1-CE1 3.85Å; Y202-Y618 HydrophobicContact CD1-CE2 4.37Å; Y202-Y618 AromaticContact CD1-CZ 3.68Å; Y202-Y618 HydrophobicContact CE1-CE1 4.46Å; Y202-Y618 PolarHBondContact O-OH 3.05Å; S206-Y618 VanDerWaalsContact CB-CE2 3.44Å; S206-Y618 WeakPolarHBondContact CB-OH 3.39Å; S206-Y618 WeakPolarHBondContact OG-CE2 3.5Å; P304-Y618 HydrophobicContact CG-CD1 4.29Å; P304-Y618 HydrophobicContact CG-CE1 3.56Å; L614-Y618 WeakPolarHBondContact O-CB 3.47Å; L614-Y618 PolarHBondContact O-N 3.22Å; Y615-Y618 PolarHBondContact O-N 3.18Å; Y618-N620 PolarHBondContact O-N 3.42Å; Y618-M621 PolarHBondContact O-N 3.29Å; Y618-T622 WeakPolarHBondContact CE1-OG1 3.48Å; Y618-T622 VanDerWaalsContact O-CB 3.26Å; Y618-T622 WeakPolarHBondContact O-CB 3.27Å; Y618-T622 PolarHBondContact O-N 2.78Å; Y618-T622 PolarHBondContact O-OG1 3.14Å; Y618-L638 HydrophobicContact CD2-CD2 4.39Å; Y618-L657 HydrophobicContact CD1-CD2 3.89Å; Y618-L657 HydrophobicContact CD2-CB 3.71Å; Y618-L657 HydrophobicContact CD2-CD2 3.84Å; Y618-L657 HydrophobicContact CD2-CG 4.29Å; Y618-L657 VanDerWaalsContact CD2-O 3.3Å; Y618-L657 WeakPolarHBondContact CD2-O 3.48Å; Y618-L657 HydrophobicContact CE1-CD2 4.19Å; Y618-L657 HydrophobicContact CE2-CB 4.35Å; Y618-L657 HydrophobicContact CE2-CD2 4.06Å; Y618-L657 HydrophobicContact CG-CB 4.09Å; Y618-L657 HydrophobicContact CG-CD1 4.38Å; Y618-L657 HydrophobicContact CG-CD2 3.74Å; Y618-L657 HydrophobicContact CG-CG 4.28Å
619	A	98.4	Very high	97.3	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-62.8	-45.8	-178.1	0	0	0	0	0	111.4	V283 Y303 Y615 T622 V623	V283-A619 HydrophobicContact CG2-CB 4.09Å; Y303-A619 HydrophobicContact CD2-CB 4.23Å; Y615-A619 WeakPolarHBondContact O-CB 3.28Å; Y615-A619 PolarHBondContact O-N 2.65Å; A619-T622 WeakPolarHBondContact O-CB 3.49Å; A619-T622 PolarHBondContact O-N 2.92Å; A619-V623 WeakPolarHBondContact O-CG2 3.49Å; A619-V623 PolarHBondContact O-N 3.13Å; A619-V623 VanDerWaalsContact O-N 3.08Å
620	N	98.6	Very high	97.3	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-67.9	-39	176.3	-74.9	-75.3	0	0	0	113	G282 V283 M284 F552 Y616 Y618 T622 L624	G282-N620 PolarHBondContact O-ND2 2.71Å; V283-N620 WeakPolarHBondContact CA-OD1 3.44Å; M284-N620 WeakPolarHBondContact CG-OD1 3.28Å; M284-N620 PolarHBondContact N-OD1 3Å; F552-N620 HydrophobicContact CB-CB 4.27Å; F552-N620 HydrophobicContact CD1-CB 3.55Å; F552-N620 HydrophobicContact CD2-CB 3.52Å; F552-N620 HydrophobicContact CE1-CB 3.65Å; F552-N620 HydrophobicContact CE2-CB 3.63Å; F552-N620 HydrophobicContact CG-CB 3.48Å; F552-N620 VanDerWaalsContact CG-CB 3.48Å; F552-N620 HydrophobicContact CZ-CB 3.7Å; Y616-N620 PolarHBondContact O-N 2.96Å; Y616-N620 PolarHBondContact O-ND2 3.05Å; Y618-N620 PolarHBondContact O-N 3.42Å; N620-T622 VanDerWaalsContact C-N 3.3Å; N620-T622 PolarHBondContact O-N 3.26Å; N620-L624 WeakPolarHBondContact O-CB 3.13Å; N620-L624 PolarHBondContact O-N 3.44Å
621	M	98.4	Very high	97.1	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.01	6%	0.063	C	C	.	.	H	α-helix	trans	-61.7	-39.8	173.6	-175.8	-170	82.2	0	0	111.3	Q208 F552 F578 M617 Y618 L624 N625 L636 V637 L638	Q208-M621 HydrophobicContact CG-CE 4.19Å; F552-M621 HydrophobicContact CE1-CB 4.43Å; F578-M621 HydrophobicContact CD2-CG 4.1Å; F578-M621 HydrophobicContact CD2-SD 4.01Å; F578-M621 HydrophobicContact CE2-CG 4.24Å; M617-M621 VanDerWaalsContact O-CB 3.23Å; M617-M621 WeakPolarHBondContact O-CB 3.41Å; M617-M621 PolarHBondContact O-N 2.82Å; Y618-M621 PolarHBondContact O-N 3.29Å; M621-L624 PolarHBondContact O-N 2.95Å; M621-N625 WeakPolarHBondContact O-CB 3.26Å; M621-N625 PolarHBondContact O-N 3.12Å; M621-L636 HydrophobicContact CG-CB 4.49Å; M621-L636 VanDerWaalsContact SD-O 3.34Å; M621-V637 VanDerWaalsContact SD-C 3.6Å; M621-L638 HydrophobicContact CE-CB 3.83Å; M621-L638 HydrophobicContact SD-CB 3.83Å
622	T	98.4	Very high	96.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.9	-52.7	178.5	-63.5	0	0	0	0	111.1	L205 S206 P302 Y618 A619 N620 L624 N625 H626	L205-T622 WeakPolarHBondContact O-CG2 3.38Å; S206-T622 VanDerWaalsContact CB-OG1 3.3Å; S206-T622 WeakPolarHBondContact CB-OG1 3.46Å; P302-T622 VanDerWaalsContact O-CG2 3.27Å; P302-T622 WeakPolarHBondContact O-CG2 3.36Å; Y618-T622 WeakPolarHBondContact CE1-OG1 3.48Å; Y618-T622 VanDerWaalsContact O-CB 3.26Å; Y618-T622 WeakPolarHBondContact O-CB 3.27Å; Y618-T622 PolarHBondContact O-N 2.78Å; Y618-T622 PolarHBondContact O-OG1 3.14Å; A619-T622 WeakPolarHBondContact O-CB 3.49Å; A619-T622 PolarHBondContact O-N 2.92Å; N620-T622 VanDerWaalsContact C-N 3.3Å; N620-T622 PolarHBondContact O-N 3.26Å; T622-L624 VanDerWaalsContact C-N 3.29Å; T622-L624 PolarHBondContact O-N 3.2Å; T622-N625 PolarHBondContact O-N 2.89Å; T622-H626 PolarHBondContact O-CD2 3.07Å; T622-H626 VanDerWaalsContact O-CD2 3.23Å; T622-H626 PolarHBondContact O-N 3.28Å; T622-H626 VanDerWaalsContact O-N 3.13Å
623	V	98.3	Very high	96.7	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.018	11%	0.105	C	C	.	.	H	α-helix	trans	-60.1	-40.5	175.4	179.3	0	0	0	0	111.4	V283 M284 L301 Y303 F556 A619 L627	V283-V623 HydrophobicContact CG1-CG2 4.16Å; M284-V623 WeakPolarHBondContact O-CG1 3.39Å; L301-V623 HydrophobicContact CB-CG1 3.85Å; L301-V623 HydrophobicContact CD1-CG1 3.68Å; L301-V623 HydrophobicContact CG-CG1 4.43Å; Y303-V623 HydrophobicContact CD1-CG2 3.49Å; Y303-V623 VanDerWaalsContact CD1-CG2 3.49Å; Y303-V623 HydrophobicContact CE1-CG2 4.29Å; Y303-V623 HydrophobicContact CG-CG2 3.89Å; F556-V623 HydrophobicContact CE1-CG1 3.89Å; F556-V623 HydrophobicContact CZ-CB 4.13Å; F556-V623 HydrophobicContact CZ-CG1 3.87Å; A619-V623 WeakPolarHBondContact O-CG2 3.49Å; A619-V623 PolarHBondContact O-N 3.13Å; A619-V623 VanDerWaalsContact O-N 3.08Å; V623-L627 PolarHBondContact O-N 3.33Å; V623-L627 VanDerWaalsContact O-N 3.15Å
624	L	98.4	Very high	96.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63	-41.9	176.6	179	63.4	0	0	0	111.6	L555 F556 N620 M621 T622 L627 R628 L636	L555-L624 HydrophobicContact CB-CD1 4.15Å; L555-L624 HydrophobicContact CB-CD2 3.74Å; L555-L624 HydrophobicContact CD1-CD2 3.83Å; L555-L624 HydrophobicContact CG-CD2 4.45Å; F556-L624 HydrophobicContact CD1-CD1 4.42Å; F556-L624 HydrophobicContact CD2-CD1 4.07Å; F556-L624 HydrophobicContact CE1-CB 4.44Å; F556-L624 HydrophobicContact CE1-CD1 4.42Å; F556-L624 HydrophobicContact CE2-CB 3.81Å; F556-L624 HydrophobicContact CE2-CD1 4.07Å; F556-L624 HydrophobicContact CE2-CG 4.42Å; F556-L624 HydrophobicContact CG-CD1 4.25Å; F556-L624 HydrophobicContact CZ-CB 3.7Å; F556-L624 HydrophobicContact CZ-CD1 4.26Å; N620-L624 WeakPolarHBondContact O-CB 3.13Å; N620-L624 PolarHBondContact O-N 3.44Å; M621-L624 PolarHBondContact O-N 2.95Å; T622-L624 VanDerWaalsContact C-N 3.29Å; T622-L624 PolarHBondContact O-N 3.2Å; L624-L627 PolarHBondContact O-N 3.45Å; L624-R628 HydrophobicContact CD1-CG 4.03Å; L624-R628 HydrophobicContact CG-CG 4.2Å; L624-R628 WeakPolarHBondContact O-CB 3.31Å; L624-R628 WeakPolarHBondContact O-CG 3.32Å; L624-R628 PolarHBondContact O-N 3.44Å; L624-L636 HydrophobicContact CD2-CD1 4.3Å
625	N	98.3	Very high	96.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.1	-43.6	179.7	-79.4	-9.3	0	0	0	111.9	S206 L207 M621 T622 L627 R628 R629 T635 L636	S206-N625 PolarHBondContact O-ND2 3.46Å; L207-N625 HydrophobicContact CD1-CB 4.31Å; M621-N625 WeakPolarHBondContact O-CB 3.26Å; M621-N625 PolarHBondContact O-N 3.12Å; T622-N625 PolarHBondContact O-N 2.89Å; N625-L627 PolarHBondContact O-N 3.03Å; N625-R628 PolarHBondContact O-N 3.02Å; N625-R629 WeakPolarHBondContact O-CB 3.44Å; N625-R629 PolarHBondContact O-N 3.23Å; N625-T635 HydrophobicContact CB-CG2 3.81Å; N625-L636 PolarHBondContact ND2-O 3.46Å; N625-L636 PolarHBondContact OD1-N 3Å; N625-L636 PolarHBondContact OD1-O 3.3Å
626	H	97.4	Very high	96.3	Very high	33 Å²	33	24 Å²	24	15%	0.153	13%	0.133	C	C	.	.	H	α-helix	trans	-61.1	-43.9	174.3	-75.7	-66.8	0	0	0	112.1	L205 L301 T622 R629 Q630	L205-H626 PolarHBondContact O-NE2 3.35Å; L301-H626 HydrophobicContact CD2-CB 3.82Å; T622-H626 PolarHBondContact O-CD2 3.07Å; T622-H626 VanDerWaalsContact O-CD2 3.23Å; T622-H626 PolarHBondContact O-N 3.28Å; T622-H626 VanDerWaalsContact O-N 3.13Å; H626-R629 PolarHBondContact O-N 3.07Å; H626-Q630 VanDerWaalsContact O-CG 3.31Å; H626-Q630 WeakPolarHBondContact O-CG 3.33Å; H626-Q630 PolarHBondContact O-N 3.5Å
627	L	96.8	Very high	96.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.8	-43.5	175.3	-178.4	67.2	0	0	0	112	Y275 V286 L301 F556 T559 I560 V623 L624 N625 Q630 C631	Y275-L627 HydrophobicContact CD2-CD1 4.08Å; Y275-L627 HydrophobicContact CE2-CD1 4.23Å; V286-L627 HydrophobicContact CG2-CD2 4.33Å; L301-L627 HydrophobicContact CD1-CB 4.21Å; F556-L627 HydrophobicContact CD1-CD2 3.58Å; F556-L627 HydrophobicContact CE1-CD2 3.98Å; T559-L627 HydrophobicContact CG2-CD2 3.9Å; T559-L627 HydrophobicContact CG2-CG 3.79Å; I560-L627 HydrophobicContact CD1-CD2 4.48Å; I560-L627 HydrophobicContact CG1-CD2 4.04Å; V623-L627 PolarHBondContact O-N 3.33Å; V623-L627 VanDerWaalsContact O-N 3.15Å; L624-L627 PolarHBondContact O-N 3.45Å; N625-L627 PolarHBondContact O-N 3.03Å; L627-Q630 PolarHBondContact O-N 3.23Å; L627-C631 PolarHBondContact O-N 2.88Å; L627-C631 PolarHBondContact O-SG 3.23Å; L627-C631 VanDerWaalsContact O-SG 3.4Å
628	R	96.4	Very high	96.3	Very high	8 Å²	8	24.4 Å²	24.4	3%	0.03	14%	0.136	C	C	.	.	H	α-helix	trans	-62.4	-44.1	178.5	-75.3	177.9	67.5	71.1	4.5	111.6	T559 L624 N625 C631 G632 F633 H634	T559-R628 HydrophobicContact CG2-CB 4.38Å; T559-R628 HydrophobicContact CG2-CG 3.58Å; T559-R628 PolarHBondContact OG1-NH1 3.38Å; L624-R628 HydrophobicContact CD1-CG 4.03Å; L624-R628 HydrophobicContact CG-CG 4.2Å; L624-R628 WeakPolarHBondContact O-CB 3.31Å; L624-R628 WeakPolarHBondContact O-CG 3.32Å; L624-R628 PolarHBondContact O-N 3.44Å; N625-R628 PolarHBondContact O-N 3.02Å; R628-C631 CarbonylContact O-C 3.58Å; R628-C631 WeakPolarHBondContact O-CA 3.2Å; R628-C631 PolarHBondContact O-N 3.07Å; R628-C631 VanDerWaalsContact O-N 3.12Å; R628-G632 PolarHBondContact O-N 3.26Å; R628-G632 VanDerWaalsContact O-N 3.1Å; R628-F633 CarbonylContact C-O 3.59Å; R628-F633 HydrophobicContact CB-CB 4.23Å; R628-F633 PolarHBondContact O-N 2.76Å; R628-H634 VanDerWaalsContact CZ-O 3.25Å; R628-H634 PolarHBondContact NE-O 2.84Å; R628-H634 PolarHBondContact NH2-CE1 3Å; R628-H634 PolarHBondContact NH2-ND1 2.78Å; R628-H634 PolarHBondContact NH2-O 3.07Å
629	R	94.4	Very high	96.2	Very high	72 Å²	72	25 Å²	25	27%	0.272	14%	0.139	S	C	.	.	H	α-helix	trans	-61.8	-43.9	174.7	-172.9	170.7	-178.9	-173.7	3.3	111.6	L207 Y231 E235 N625 H626 C631 G632	L207-R629 HydrophobicContact CD1-CB 4.21Å; Y231-R629 PolarHBondContact O-NH2 3.23Å; E235-R629 IonicContact OE1-CZ 3.57Å; E235-R629 IonicContact OE1-NE 3.76Å; E235-R629 PolarHBondContact OE1-NE 3.5Å; E235-R629 IonicContact OE1-NH2 2.84Å; E235-R629 PolarHBondContact OE1-NH2 2.66Å; E235-R629 IonicContact OE2-CZ 2.79Å; E235-R629 VanDerWaalsContact OE2-CZ 3.26Å; E235-R629 IonicContact OE2-NE 3.6Å; E235-R629 PolarHBondContact OE2-NE 3.05Å; E235-R629 IonicContact OE2-NH2 3.4Å; E235-R629 PolarHBondContact OE2-NH2 2.96Å; N625-R629 WeakPolarHBondContact O-CB 3.44Å; N625-R629 PolarHBondContact O-N 3.23Å; H626-R629 PolarHBondContact O-N 3.07Å; R629-C631 PolarHBondContact O-N 2.86Å; R629-G632 PolarHBondContact O-N 2.89Å
630	Q	93.2	Very high	96.2	Very high	116 Å²	116	25 Å²	25	54%	0.542	14%	0.139	S	C	.	.	H	α-helix	trans	-59.8	-31.7	173.2	-73.6	176	8.7	0	0	113.1	H626 L627	H626-Q630 VanDerWaalsContact O-CG 3.31Å; H626-Q630 WeakPolarHBondContact O-CG 3.33Å; H626-Q630 PolarHBondContact O-N 3.5Å; L627-Q630 PolarHBondContact O-N 3.23Å
631	C	91.1	Very high	96.2	Very high	32 Å²	32	25.8 Å²	25.8	22%	0.216	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	1.3	174.3	-66	0	0	0	0	114.6	T559 L627 R628 R629 F633	T559-C631 HydrophobicContact CG2-CB 4.46Å; L627-C631 PolarHBondContact O-N 2.88Å; L627-C631 PolarHBondContact O-SG 3.23Å; L627-C631 VanDerWaalsContact O-SG 3.4Å; R628-C631 CarbonylContact O-C 3.58Å; R628-C631 WeakPolarHBondContact O-CA 3.2Å; R628-C631 PolarHBondContact O-N 3.07Å; R628-C631 VanDerWaalsContact O-N 3.12Å; R629-C631 PolarHBondContact O-N 2.86Å; C631-F633 HydrophobicContact CB-CD2 3.77Å; C631-F633 HydrophobicContact CB-CE2 3.75Å; C631-F633 HydrophobicContact CB-CG 4.46Å; C631-F633 HydrophobicContact CB-CZ 4.42Å
632	G	91	Very high	96.1	Very high	70 Å²	70	25.7 Å²	25.7	72%	0.722	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.4	24.5	-177.6	0	0	0	0	0	114.7	R628 R629	R628-G632 PolarHBondContact O-N 3.26Å; R628-G632 VanDerWaalsContact O-N 3.1Å; R629-G632 PolarHBondContact O-N 2.89Å
633	F	93.6	Very high	96	Very high	38 Å²	38	25.7 Å²	25.7	17%	0.167	14%	0.142	C	C	.	.			trans	-104.6	150.2	173.9	-53.7	-40.2	0	0	0	111.5	A270 T559 P562 H569 R628 C631	A270-F633 HydrophobicContact CB-CE1 4.44Å; A270-F633 HydrophobicContact CB-CZ 4.14Å; T559-F633 HydrophobicContact CG2-CD2 4.18Å; T559-F633 HydrophobicContact CG2-CE2 4.46Å; P562-F633 HydrophobicContact CG-CE2 4.19Å; P562-F633 HydrophobicContact CG-CZ 3.75Å; H569-F633 AromaticContact CE1-CE1 3.61Å; H569-F633 AromaticContact CE1-CZ 3.84Å; R628-F633 CarbonylContact C-O 3.59Å; R628-F633 HydrophobicContact CB-CB 4.23Å; R628-F633 PolarHBondContact O-N 2.76Å; C631-F633 HydrophobicContact CB-CD2 3.77Å; C631-F633 HydrophobicContact CB-CE2 3.75Å; C631-F633 HydrophobicContact CB-CG 4.46Å; C631-F633 HydrophobicContact CB-CZ 4.42Å
634	H	91.2	Very high	95.7	Very high	76 Å²	76	26.4 Å²	26.4	35%	0.352	15%	0.145	S	C	.	.			trans	-62.8	147	177	72.1	-65.2	0	0	0	112.4	L572 V575 R628	L572-H634 PolarHBondContact O-CE1 2.92Å; L572-H634 PolarHBondContact O-NE2 3.43Å; V575-H634 PolarHBondContact O-NE2 2.79Å; R628-H634 VanDerWaalsContact CZ-O 3.25Å; R628-H634 PolarHBondContact NE-O 2.84Å; R628-H634 PolarHBondContact NH2-CE1 3Å; R628-H634 PolarHBondContact NH2-ND1 2.78Å; R628-H634 PolarHBondContact NH2-O 3.07Å
635	T	95.3	Very high	95.3	Very high	43 Å²	43	26.9 Å²	26.9	26%	0.264	15%	0.149	S	C	.	.			trans	-79.9	169.8	177.4	52.6	0	0	0	0	112.1	L207 N625	L207-T635 HydrophobicContact CB-CG2 4.17Å; L207-T635 HydrophobicContact CD1-CG2 3.96Å; N625-T635 HydrophobicContact CB-CG2 3.81Å
636	L	97.5	Very high	94.8	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	17%	0.165	C	C	.	.			trans	-120.3	139.1	178.6	-62.2	175.1	0	0	0	109.7	V575 F578 M621 L624 N625	V575-L636 HydrophobicContact CG1-CD2 4.1Å; V575-L636 WeakPolarHBondContact O-CD2 3.38Å; F578-L636 HydrophobicContact CD2-CB 4.38Å; F578-L636 HydrophobicContact CD2-CD1 4.48Å; F578-L636 HydrophobicContact CE2-CB 4.2Å; F578-L636 HydrophobicContact CE2-CD1 3.6Å; F578-L636 HydrophobicContact CZ-CD1 4.06Å; M621-L636 HydrophobicContact CG-CB 4.49Å; M621-L636 VanDerWaalsContact SD-O 3.34Å; L624-L636 HydrophobicContact CD2-CD1 4.3Å; N625-L636 PolarHBondContact ND2-O 3.46Å; N625-L636 PolarHBondContact OD1-N 3Å; N625-L636 PolarHBondContact OD1-O 3.3Å
637	V	97.9	Very high	94.5	Very high	18 Å²	18	28 Å²	28	11%	0.109	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	157.1	178.6	-58	0	0	0	0	112.6	Q208 V576 G577 F578 M621 R639 E659	Q208-V637 HydrophobicContact CG-CB 4.27Å; Q208-V637 HydrophobicContact CG-CG1 4.15Å; V576-V637 WeakPolarHBondContact O-CG2 3.44Å; V576-V637 PolarHBondContact O-N 2.82Å; V576-V637 VanDerWaalsContact O-N 3.11Å; G577-V637 CarbonylContact C-O 3.44Å; G577-V637 WeakPolarHBondContact CA-O 3.42Å; F578-V637 PolarHBondContact N-O 2.64Å; M621-V637 VanDerWaalsContact SD-C 3.6Å; V637-R639 HydrophobicContact CG2-CG 4Å; V637-E659 HydrophobicContact CB-CB 3.9Å; V637-E659 HydrophobicContact CB-CG 4.11Å; V637-E659 HydrophobicContact CG1-CB 4.46Å; V637-E659 HydrophobicContact CG1-CG 4.29Å; V637-E659 HydrophobicContact CG2-CB 4.3Å; V637-E659 HydrophobicContact CG2-CG 4.22Å
638	L	98.4	Very high	94.1	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	120.3	175.8	-178.5	57.5	0	0	0	109.7	Q208 F578 M617 Y618 M621 L657 S658 E659	Q208-L638 PolarHBondContact OE1-O 3.41Å; F578-L638 HydrophobicContact CB-CD1 4.13Å; M617-L638 HydrophobicContact CE-CD1 3.93Å; Y618-L638 HydrophobicContact CD2-CD2 4.39Å; M621-L638 HydrophobicContact CE-CB 3.83Å; M621-L638 HydrophobicContact SD-CB 3.83Å; L638-L657 HydrophobicContact CD2-CB 4.18Å; L638-S658 WeakPolarHBondContact O-CA 3.21Å; L638-S658 VanDerWaalsContact O-CB 3.27Å; L638-S658 WeakPolarHBondContact O-CB 3.46Å; L638-E659 PolarHBondContact O-N 3.06Å
639	R	98	Very high	93.7	Very high	13 Å²	13	30.4 Å²	30.4	5%	0.049	18%	0.177	C	C	.	.			trans	-134.2	75.4	-178.9	-63.5	-176.3	179.2	164.4	7.6	111.2	E492 L525 F578 D579 V637 E659 N660 M758 S759	E492-R639 IonicContact OE1-NH1 2.84Å; E492-R639 PolarHBondContact OE1-NH1 2.78Å; E492-R639 IonicContact OE2-NH1 3.52Å; E492-R639 PolarHBondContact OE2-NH1 3.23Å; L525-R639 HydrophobicContact CD2-CB 3.93Å; F578-R639 PolarHBondContact O-N 3.13Å; D579-R639 WeakPolarHBondContact CB-O 3.46Å; V637-R639 HydrophobicContact CG2-CG 4Å; R639-E659 HydrophobicContact CG-CB 4.2Å; R639-N660 VanDerWaalsContact CA-O 3.31Å; R639-N660 WeakPolarHBondContact CA-O 3.2Å; R639-N660 HydrophobicContact CG-CB 4.05Å; R639-N660 PolarHBondContact NE-ND2 3.2Å; R639-N660 VanDerWaalsContact NE-ND2 3.13Å; R639-M758 PolarHBondContact NH1-O 2.83Å; R639-M758 PolarHBondContact NH2-O 2.77Å; R639-S759 PolarHBondContact NH2-O 3.4Å
640	P	98.2	Very high	93.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.165	C	C	.	.			trans	-82.6	156.5	-170.9	34	-33	0	0	0	112.8	D579 L614 C642 N660 I661 S662	D579-P640 VanDerWaalsContact OD1-CA 3.23Å; D579-P640 WeakPolarHBondContact OD1-CA 3.5Å; L614-P640 HydrophobicContact CD1-CG 4.16Å; L614-P640 HydrophobicContact CD2-CB 3.86Å; L614-P640 HydrophobicContact CD2-CG 4.21Å; P640-C642 HydrophobicContact CG-CB 4.49Å; P640-C642 PolarHBondContact O-N 3.17Å; P640-N660 WeakPolarHBondContact CD-O 3.03Å; P640-I661 WeakPolarHBondContact O-CA 3.4Å; P640-S662 PolarHBondContact O-N 3.04Å
641	H	98.1	Very high	93.9	Very high	16 Å²	16	21.6 Å²	21.6	7%	0.074	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	124.2	156.7	-67.5	41.1	0	0	0	108.9	H372 H374 D579 S580 V581 Y610 H663	H372-H641 AromaticContact CE1-CE1 3.45Å; H372-H641 PolarHBondContact CE1-CE1 3.31Å; H372-H641 VanDerWaalsContact CE1-CE1 3.45Å; H372-H641 AromaticContact CE1-NE2 3.29Å; H372-H641 PolarHBondContact CE1-NE2 2.97Å; H372-H641 VanDerWaalsContact CE1-NE2 3.29Å; H372-H641 AromaticContact NE2-CE1 3Å; H372-H641 PolarHBondContact NE2-CE1 3.27Å; H372-H641 AromaticContact NE2-NE2 3.2Å; H372-H641 PolarHBondContact NE2-NE2 2.85Å; H374-H641 AromaticContact CE1-CE1 3.61Å; H374-H641 AromaticContact CE1-NE2 3.43Å; H374-H641 PolarHBondContact CE1-NE2 3.09Å; H374-H641 AromaticContact NE2-NE2 3.44Å; H374-H641 PolarHBondContact NE2-NE2 3.42Å; D579-H641 VanDerWaalsContact CG-ND1 3.3Å; D579-H641 IonicContact OD1-CE1 2.78Å; D579-H641 IonicContact OD1-CG 2.68Å; D579-H641 PolarHBondContact OD1-N 3.02Å; D579-H641 IonicContact OD1-ND1 2.76Å; D579-H641 PolarHBondContact OD1-ND1 2.92Å; D579-H641 IonicContact OD2-CE1 2.72Å; D579-H641 PolarHBondContact OD2-CE1 2.73Å; D579-H641 IonicContact OD2-ND1 3.84Å; D579-H641 PolarHBondContact OD2-ND1 2.83Å; S580-H641 WeakPolarHBondContact O-CB 3.17Å; S580-H641 PolarHBondContact O-N 3.47Å; V581-H641 VanDerWaalsContact CG1-CE1 3.45Å; V581-H641 WeakPolarHBondContact CG1-CE1 3.42Å; Y610-H641 WeakPolarHBondContact CE2-O 3.38Å; Y610-H641 PolarHBondContact OH-O 2.6Å; H641-H663 AromaticContact CD2-CD2 3.85Å; H641-H663 AromaticContact CD2-NE2 3.18Å; H641-H663 PolarHBondContact CD2-NE2 3.21Å; H641-H663 AromaticContact CG-NE2 3.8Å; H641-H663 AromaticContact NE2-NE2 3.68Å
642	C	96.9	Very high	94.1	Very high	0 Å²	0	20 Å²	20	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	122.1	-170.6	-160.3	0	0	0	0	112.1	Y610 P640 E644 H650 L651 I661 S662 G664	Y610-C642 WeakPolarHBondContact OH-CA 3.28Å; Y610-C642 VanDerWaalsContact OH-CB 3.27Å; Y610-C642 WeakPolarHBondContact OH-CB 3.35Å; Y610-C642 PolarHBondContact OH-SG 2.78Å; P640-C642 HydrophobicContact CG-CB 4.49Å; P640-C642 PolarHBondContact O-N 3.17Å; C642-E644 VanDerWaalsContact C-N 3.31Å; C642-E644 PolarHBondContact O-N 3.4Å; C642-H650 PolarHBondContact SG-O 3.09Å; C642-L651 HydrophobicContact CB-CD2 4.46Å; C642-I661 HydrophobicContact CB-CB 3.86Å; C642-I661 HydrophobicContact CB-CD1 4.39Å; C642-I661 HydrophobicContact CB-CG2 3.67Å; C642-S662 PolarHBondContact N-O 3.31Å; C642-S662 VanDerWaalsContact N-O 3.11Å; C642-S662 VanDerWaalsContact O-O 3.13Å; C642-G664 WeakPolarHBondContact O-CA 3.3Å; C642-G664 PolarHBondContact O-N 2.73Å
643	G	95	Very high	94.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	63.9	31	177.5	0	0	0	0	0	114.2	E584 G664 L665 L666	E584-G643 VanDerWaalsContact CD-N 3.3Å; E584-G643 PolarHBondContact OE1-N 2.96Å; E584-G643 WeakPolarHBondContact OE2-CA 3.46Å; E584-G643 PolarHBondContact OE2-N 3.25Å; G643-G664 CarbonylContact O-C 3.55Å; G643-L665 WeakPolarHBondContact O-CA 3.35Å; G643-L665 PolarHBondContact O-N 3.12Å; G643-L666 PolarHBondContact O-N 2.97Å
644	E	93.4	Very high	94.6	Very high	17 Å²	17	14.9 Å²	14.9	8%	0.079	9%	0.087	C	C	.	.	S	Bend	trans	-68.2	-48.1	158.7	-168.4	172.6	-144.3	0	0	109.7	E584 C642 H663 L665 N691 F695	E584-E644 PolarHBondContact OE2-N 2.76Å; C642-E644 VanDerWaalsContact C-N 3.31Å; C642-E644 PolarHBondContact O-N 3.4Å; E644-H663 HydrophobicContact CB-CB 3.54Å; E644-H663 VanDerWaalsContact CD-CE1 3.45Å; E644-H663 HydrophobicContact CG-CB 3.86Å; E644-H663 IonicContact OE1-CE1 2.78Å; E644-H663 PolarHBondContact OE1-CE1 3.28Å; E644-H663 VanDerWaalsContact OE1-CE1 3.3Å; E644-H663 IonicContact OE1-CG 2.92Å; E644-H663 IonicContact OE1-ND1 2.75Å; E644-H663 PolarHBondContact OE1-ND1 2.88Å; E644-H663 IonicContact OE2-CE1 3.9Å; E644-H663 IonicContact OE2-ND1 3.29Å; E644-H663 IonicContact OE2-NE2 3.24Å; E644-L665 HydrophobicContact CG-CD1 3.94Å; E644-N691 PolarHBondContact OE1-ND2 3.46Å; E644-F695 HydrophobicContact CG-CD2 3.58Å; E644-F695 HydrophobicContact CG-CE2 3.75Å; E644-F695 HydrophobicContact CG-CG 4.33Å; E644-F695 WeakPolarHBondContact OE1-CD2 3.39Å; E644-F695 WeakPolarHBondContact OE2-CE2 3.48Å
645	A	89.2	Confident	95	Very high	11 Å²	11	11.3 Å²	11.3	9%	0.091	7%	0.07	C	C	.	.	S	Bend	trans	-138.9	-163.8	176.1	0	0	0	0	0	110	E584 L666 F695	E584-A645 HydrophobicContact CB-CB 4.22Å; E584-A645 WeakPolarHBondContact CG-O 3.3Å; E584-A645 PolarHBondContact OE2-N 2.87Å; A645-L666 WeakPolarHBondContact O-CD1 3.31Å; A645-F695 HydrophobicContact CB-CD1 4.26Å; A645-F695 HydrophobicContact CB-CE1 3.92Å; A645-F695 HydrophobicContact CB-CZ 4.35Å
646	G	88.8	Confident	95.1	Very high	33 Å²	33	9.2 Å²	9.2	34%	0.34	6%	0.057	S	C	.	.	S	Bend	trans	73.9	-167.2	177.1	0	0	0	0	0	115.4	E584 L666	E584-G646 WeakPolarHBondContact O-CA 3.3Å; E584-G646 PolarHBondContact O-N 3.2Å; G646-L666 WeakPolarHBondContact O-CD1 3.41Å
647	P	89.4	Confident	95.1	Very high	22 Å²	22	9.2 Å²	9.2	14%	0.143	6%	0.057	C	C	.	.			trans	-83.5	155.8	-179.3	33.4	-37.6	0	0	0	114	S84 H649 H650	S84-P647 WeakPolarHBondContact OG-CB 3.46Å; P647-H649 WeakPolarHBondContact CG-CE1 3.33Å; P647-H649 PolarHBondContact O-N 2.75Å; P647-H649 VanDerWaalsContact O-N 3.13Å; P647-H650 WeakPolarHBondContact CD-NE2 3.49Å; P647-H650 WeakPolarHBondContact CG-NE2 3.31Å; P647-H650 PolarHBondContact O-N 3.23Å
648	I	89.1	Confident	95.1	Very high	45 Å²	45	8.3 Å²	8.3	23%	0.231	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.5	-173.6	-64.1	174	0	0	0	113.1	I320 H650 L651 K669 A670 L673	I320-I648 HydrophobicContact CG2-CG2 4.3Å; I648-H650 PolarHBondContact O-N 3.25Å; I648-L651 PolarHBondContact O-N 2.94Å; I648-L651 VanDerWaalsContact O-N 3.1Å; I648-K669 HydrophobicContact CD1-CB 4.39Å; I648-A670 HydrophobicContact CG2-CB 3.98Å; I648-L673 HydrophobicContact CG2-CD1 3.99Å
649	H	88.8	Confident	95.1	Very high	14 Å²	14	9.3 Å²	9.3	7%	0.065	6%	0.057	C	C	.	.	H	α-helix	trans	-67.6	-13.8	178.9	66.5	-102.9	0	0	0	114.3	F81 M313 M317 E588 P647 V652 S653	F81-H649 AromaticContact CD1-ND1 4Å; F81-H649 HydrophobicContact CE1-CB 4.18Å; F81-H649 AromaticContact CE1-CG 3.83Å; F81-H649 AromaticContact CE1-ND1 3.71Å; M313-H649 HydrophobicContact CE-CB 4.26Å; M317-H649 HydrophobicContact CE-CB 3.55Å; M317-H649 HydrophobicContact SD-CB 3.48Å; M317-H649 WeakPolarHBondContact SD-CB 3.44Å; E588-H649 IonicContact OE2-CD2 2.68Å; E588-H649 IonicContact OE2-CE1 3.34Å; E588-H649 PolarHBondContact OE2-CE1 3.24Å; E588-H649 IonicContact OE2-NE2 3.5Å; E588-H649 PolarHBondContact OE2-NE2 2.87Å; P647-H649 WeakPolarHBondContact CG-CE1 3.33Å; P647-H649 PolarHBondContact O-N 2.75Å; P647-H649 VanDerWaalsContact O-N 3.13Å; H649-V652 WeakPolarHBondContact O-CB 3.22Å; H649-V652 PolarHBondContact O-N 2.97Å; H649-S653 PolarHBondContact O-N 3.1Å; H649-S653 PolarHBondContact O-OG 3.07Å
650	H	94.8	Very high	95	Very high	3 Å²	3	9.4 Å²	9.4	1%	0.014	6%	0.058	C	C	.	.	H	α-helix	trans	-62.3	-48	168.6	-66.2	-168.1	0	0	0	110.4	E584 E588 Y610 C642 P647 I648 V652 S653 G654	E584-H650 WeakPolarHBondContact CG-ND1 3.33Å; E584-H650 WeakPolarHBondContact OE1-CB 3.29Å; E584-H650 IonicContact OE1-CE1 2.67Å; E584-H650 IonicContact OE1-CG 3.81Å; E584-H650 IonicContact OE1-ND1 3.79Å; E584-H650 PolarHBondContact OE1-ND1 3.47Å; E588-H650 IonicContact OE1-NE2 3.65Å; E588-H650 PolarHBondContact OE1-NE2 3.41Å; E588-H650 IonicContact OE2-NE2 3.97Å; Y610-H650 VanDerWaalsContact CB-NE2 3.34Å; Y610-H650 WeakPolarHBondContact CB-NE2 3.42Å; Y610-H650 HydrophobicContact CD1-CB 3.73Å; Y610-H650 AromaticContact CD1-CD2 3.68Å; Y610-H650 AromaticContact CD1-CG 3.57Å; Y610-H650 AromaticContact CD2-CE1 3.95Å; Y610-H650 AromaticContact CD2-ND1 3.78Å; Y610-H650 HydrophobicContact CE1-CB 3.63Å; Y610-H650 AromaticContact CE1-CG 3.95Å; Y610-H650 HydrophobicContact CG-CB 4.27Å; Y610-H650 AromaticContact CG-CD2 3.66Å; Y610-H650 AromaticContact CG-CE1 3.81Å; Y610-H650 AromaticContact CG-CG 3.65Å; Y610-H650 AromaticContact CG-ND1 3.75Å; Y610-H650 AromaticContact CG-NE2 3.79Å; C642-H650 PolarHBondContact SG-O 3.09Å; P647-H650 WeakPolarHBondContact CD-NE2 3.49Å; P647-H650 WeakPolarHBondContact CG-NE2 3.31Å; P647-H650 PolarHBondContact O-N 3.23Å; I648-H650 PolarHBondContact O-N 3.25Å; H650-V652 PolarHBondContact O-N 3.39Å; H650-S653 WeakPolarHBondContact O-CA 3.15Å; H650-S653 WeakPolarHBondContact O-CB 3.06Å; H650-S653 PolarHBondContact O-N 3.16Å; H650-G654 PolarHBondContact O-N 3.02Å
651	L	96.4	Very high	95	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-66.6	-23	178.9	-70.7	166.1	0	0	0	113.5	C642 I648 F655 I661 L666 L667 L673 Y677	C642-L651 HydrophobicContact CB-CD2 4.46Å; I648-L651 PolarHBondContact O-N 2.94Å; I648-L651 VanDerWaalsContact O-N 3.1Å; L651-F655 VanDerWaalsContact O-CB 3.25Å; L651-F655 WeakPolarHBondContact O-CB 3.25Å; L651-F655 PolarHBondContact O-N 3.24Å; L651-I661 HydrophobicContact CD2-CD1 3.8Å; L651-L666 HydrophobicContact CD1-CB 3.78Å; L651-L667 HydrophobicContact CD1-CD2 3.95Å; L651-L667 HydrophobicContact CD1-CG 3.9Å; L651-L667 HydrophobicContact CD2-CD1 4.46Å; L651-L667 HydrophobicContact CD2-CD2 4.13Å; L651-L667 HydrophobicContact CD2-CG 3.95Å; L651-L667 HydrophobicContact CG-CD2 4.45Å; L651-L673 HydrophobicContact CB-CD1 3.71Å; L651-Y677 PolarHBondContact O-OH 2.99Å
652	V	96.3	Very high	95	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-66.3	-49.7	167.1	172.3	0	0	0	0	110.6	M313 M316 M317 I320 H649 H650 G654 F655 M656 L673	M313-V652 HydrophobicContact CG-CG1 4.07Å; M316-V652 HydrophobicContact CB-CG1 3.55Å; M316-V652 HydrophobicContact CG-CG1 4.32Å; M317-V652 HydrophobicContact SD-CB 4.45Å; M317-V652 HydrophobicContact SD-CG2 3.85Å; I320-V652 HydrophobicContact CD1-CG2 3.18Å; H649-V652 WeakPolarHBondContact O-CB 3.22Å; H649-V652 PolarHBondContact O-N 2.97Å; H650-V652 PolarHBondContact O-N 3.39Å; V652-G654 VanDerWaalsContact C-N 3.32Å; V652-G654 PolarHBondContact O-N 3.07Å; V652-F655 PolarHBondContact O-N 3.2Å; V652-M656 HydrophobicContact CG1-SD 4.01Å; V652-M656 WeakPolarHBondContact O-CG 3.33Å; V652-M656 PolarHBondContact O-N 3.17Å; V652-L673 HydrophobicContact CG2-CD1 4.19Å; V652-L673 HydrophobicContact CG2-CD2 4.45Å
653	S	96.4	Very high	95	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-62.4	-41.9	179.6	-47.7	0	0	0	0	110.5	S611 H649 H650 M656 L657	S611-S653 VanDerWaalsContact CB-OG 3.31Å; S611-S653 WeakPolarHBondContact CB-OG 3.25Å; H649-S653 PolarHBondContact O-N 3.1Å; H649-S653 PolarHBondContact O-OG 3.07Å; H650-S653 WeakPolarHBondContact O-CA 3.15Å; H650-S653 WeakPolarHBondContact O-CB 3.06Å; H650-S653 PolarHBondContact O-N 3.16Å; S653-M656 PolarHBondContact O-N 2.85Å; S653-L657 VanDerWaalsContact O-CB 3.29Å; S653-L657 WeakPolarHBondContact O-CB 3.38Å; S653-L657 WeakPolarHBondContact O-CG 3.21Å; S653-L657 PolarHBondContact O-N 3.46Å
654	G	97.7	Very high	95.1	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-60.6	-48.6	170.9	0	0	0	0	0	113	H650 V652 M656 L657 S658	H650-G654 PolarHBondContact O-N 3.02Å; V652-G654 VanDerWaalsContact C-N 3.32Å; V652-G654 PolarHBondContact O-N 3.07Å; G654-M656 VanDerWaalsContact C-N 3.27Å; G654-M656 PolarHBondContact O-N 2.72Å; G654-L657 PolarHBondContact O-N 3.43Å; G654-S658 WeakPolarHBondContact O-CB 3.25Å; G654-S658 PolarHBondContact O-N 3.01Å; G654-S658 PolarHBondContact O-OG 2.81Å
655	F	98.5	Very high	95.2	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-58	-39	178.9	177.4	-98.6	0	0	0	113	A195 R199 M316 L651 V652 L673 L676 Y677 A680 I682	A195-F655 HydrophobicContact CB-CE1 4.39Å; A195-F655 WeakPolarHBondContact O-CE1 3.36Å; R199-F655 HydrophobicContact CB-CD1 4.45Å; R199-F655 HydrophobicContact CB-CE1 3.75Å; R199-F655 HydrophobicContact CB-CE2 4.38Å; R199-F655 HydrophobicContact CB-CZ 3.7Å; R199-F655 WeakPolarHBondContact CD-O 3.33Å; R199-F655 HydrophobicContact CG-CZ 4.39Å; R199-F655 WeakPolarHBondContact CG-O 3.46Å; R199-F655 PolarHBondContact NH1-O 2.98Å; M316-F655 HydrophobicContact CE-CD1 3.37Å; M316-F655 HydrophobicContact CE-CE1 3.55Å; M316-F655 HydrophobicContact CE-CG 4.29Å; M316-F655 HydrophobicContact SD-CD1 4.25Å; M316-F655 HydrophobicContact SD-CE1 4.1Å; L651-F655 VanDerWaalsContact O-CB 3.25Å; L651-F655 WeakPolarHBondContact O-CB 3.25Å; L651-F655 PolarHBondContact O-N 3.24Å; V652-F655 PolarHBondContact O-N 3.2Å; F655-L673 HydrophobicContact CB-CD2 4.08Å; F655-L673 HydrophobicContact CG-CD2 4.28Å; F655-L676 HydrophobicContact CD2-CB 4.17Å; F655-L676 HydrophobicContact CE1-CD1 4.45Å; F655-L676 HydrophobicContact CE2-CB 3.57Å; F655-L676 HydrophobicContact CE2-CG 4.5Å; F655-L676 HydrophobicContact CZ-CB 3.91Å; F655-L676 HydrophobicContact CZ-CD1 4.27Å; F655-L676 HydrophobicContact CZ-CD2 4.22Å; F655-L676 HydrophobicContact CZ-CG 4.38Å; F655-Y677 HydrophobicContact CB-CE2 3.78Å; F655-Y677 AromaticContact CD2-CD2 3.9Å; F655-Y677 HydrophobicContact CD2-CD2 3.9Å; F655-Y677 AromaticContact CD2-CE2 3.86Å; F655-Y677 HydrophobicContact CD2-CE2 3.86Å; F655-Y677 HydrophobicContact CG-CE2 4.28Å; F655-Y677 PolarHBondContact N-OH 3.28Å; F655-A680 HydrophobicContact CE2-CB 4.37Å; F655-I682 HydrophobicContact CD2-CD1 3.44Å; F655-I682 VanDerWaalsContact CD2-CD1 3.44Å; F655-I682 HydrophobicContact CE2-CD1 3.77Å; F655-I682 HydrophobicContact CG-CD1 4.49Å
656	M	98.1	Very high	95.5	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-75.4	-45.6	178.2	-69.5	172.8	59.6	0	0	112.1	I198 Y202 M203 Y309 D312 M313 M316 V652 S653 G654	I198-M656 HydrophobicContact CG2-CE 4.27Å; I198-M656 HydrophobicContact CG2-CG 4.05Å; Y202-M656 WeakPolarHBondContact CB-O 3.43Å; Y202-M656 HydrophobicContact CD2-CE 4.41Å; Y202-M656 HydrophobicContact CE1-CE 4.46Å; Y202-M656 HydrophobicContact CE2-CE 3.73Å; M203-M656 WeakPolarHBondContact CE-O 3.43Å; Y309-M656 HydrophobicContact CD2-CE 3.8Å; Y309-M656 HydrophobicContact CE2-CE 3.78Å; D312-M656 HydrophobicContact CB-CE 3.53Å; M313-M656 HydrophobicContact CB-CE 4.41Å; M313-M656 HydrophobicContact CB-SD 4.21Å; M316-M656 HydrophobicContact CB-SD 4.43Å; M316-M656 HydrophobicContact CG-CG 4.16Å; M316-M656 HydrophobicContact CG-SD 3.87Å; V652-M656 HydrophobicContact CG1-SD 4.01Å; V652-M656 WeakPolarHBondContact O-CG 3.33Å; V652-M656 PolarHBondContact O-N 3.17Å; S653-M656 PolarHBondContact O-N 2.85Å; G654-M656 VanDerWaalsContact C-N 3.27Å; G654-M656 PolarHBondContact O-N 2.72Å
657	L	98.3	Very high	95.8	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-106.6	-17.4	-160.6	-55.4	-179.1	0	0	0	115.4	Y202 Q208 Y309 L614 Y618 L638 S653 G654	Y202-L657 HydrophobicContact CD1-CD2 3.41Å; Y202-L657 VanDerWaalsContact CD1-CD2 3.41Å; Y202-L657 HydrophobicContact CE1-CD2 3.76Å; Y202-L657 HydrophobicContact CG-CD2 4.18Å; Q208-L657 PolarHBondContact NE2-O 3.14Å; Y309-L657 HydrophobicContact CD2-CD2 4.21Å; Y309-L657 HydrophobicContact CE2-CD1 3.78Å; Y309-L657 HydrophobicContact CE2-CD2 3.93Å; Y309-L657 HydrophobicContact CE2-CG 4.1Å; L614-L657 HydrophobicContact CB-CD1 3.9Å; Y618-L657 HydrophobicContact CD1-CD2 3.89Å; Y618-L657 HydrophobicContact CD2-CB 3.71Å; Y618-L657 HydrophobicContact CD2-CD2 3.84Å; Y618-L657 HydrophobicContact CD2-CG 4.29Å; Y618-L657 VanDerWaalsContact CD2-O 3.3Å; Y618-L657 WeakPolarHBondContact CD2-O 3.48Å; Y618-L657 HydrophobicContact CE1-CD2 4.19Å; Y618-L657 HydrophobicContact CE2-CB 4.35Å; Y618-L657 HydrophobicContact CE2-CD2 4.06Å; Y618-L657 HydrophobicContact CG-CB 4.09Å; Y618-L657 HydrophobicContact CG-CD1 4.38Å; Y618-L657 HydrophobicContact CG-CD2 3.74Å; Y618-L657 HydrophobicContact CG-CG 4.28Å; L638-L657 HydrophobicContact CD2-CB 4.18Å; S653-L657 VanDerWaalsContact O-CB 3.29Å; S653-L657 WeakPolarHBondContact O-CB 3.38Å; S653-L657 WeakPolarHBondContact O-CG 3.21Å; S653-L657 PolarHBondContact O-N 3.46Å; G654-L657 PolarHBondContact O-N 3.43Å
658	S	97.8	Very high	96.1	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.045	C	C	.	.			trans	-108.4	142.9	-170.5	68.1	0	0	0	0	114.8	R199 L638 G654 N660 I661	R199-S658 PolarHBondContact NH1-O 3.42Å; R199-S658 PolarHBondContact NH2-O 3.44Å; L638-S658 WeakPolarHBondContact O-CA 3.21Å; L638-S658 VanDerWaalsContact O-CB 3.27Å; L638-S658 WeakPolarHBondContact O-CB 3.46Å; G654-S658 WeakPolarHBondContact O-CB 3.25Å; G654-S658 PolarHBondContact O-N 3.01Å; G654-S658 PolarHBondContact O-OG 2.81Å; S658-N660 WeakPolarHBondContact CB-O 3.44Å; S658-N660 PolarHBondContact OG-O 3.35Å; S658-I661 WeakPolarHBondContact OG-CG2 3.28Å
659	E	97.3	Very high	96.1	Very high	22 Å²	22	13.6 Å²	13.6	10%	0.103	6%	0.059	C	C	.	.	S	Bend	trans	-56.1	-57.9	166.2	179	80.2	-166.4	0	0	110.4	R199 Q208 S209 V637 L638 R639	R199-E659 PolarHBondContact NH2-O 3.17Å; Q208-E659 WeakPolarHBondContact CB-OE2 3.45Å; Q208-E659 VanDerWaalsContact OE1-N 3.09Å; S209-E659 PolarHBondContact N-OE2 3.13Å; S209-E659 PolarHBondContact OG-OE1 3.48Å; V637-E659 HydrophobicContact CB-CB 3.9Å; V637-E659 HydrophobicContact CB-CG 4.11Å; V637-E659 HydrophobicContact CG1-CB 4.46Å; V637-E659 HydrophobicContact CG1-CG 4.29Å; V637-E659 HydrophobicContact CG2-CB 4.3Å; V637-E659 HydrophobicContact CG2-CG 4.22Å; L638-E659 PolarHBondContact O-N 3.06Å; R639-E659 HydrophobicContact CG-CB 4.2Å
660	N	96.6	Very high	96.4	Very high	15 Å²	15	13 Å²	13	8%	0.08	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	170.5	-178.5	-59.9	-44.6	0	0	0	109.7	R639 P640 S658 G683 M758	R639-N660 VanDerWaalsContact CA-O 3.31Å; R639-N660 WeakPolarHBondContact CA-O 3.2Å; R639-N660 HydrophobicContact CG-CB 4.05Å; R639-N660 PolarHBondContact NE-ND2 3.2Å; R639-N660 VanDerWaalsContact NE-ND2 3.13Å; P640-N660 WeakPolarHBondContact CD-O 3.03Å; S658-N660 WeakPolarHBondContact CB-O 3.44Å; S658-N660 PolarHBondContact OG-O 3.35Å; N660-G683 CarbonylContact C-O 3.6Å; N660-G683 VanDerWaalsContact CA-O 3.31Å; N660-G683 WeakPolarHBondContact CA-O 3.25Å; N660-G683 WeakPolarHBondContact CB-O 3.46Å; N660-G683 WeakPolarHBondContact OD1-CA 3.48Å; N660-G683 PolarHBondContact OD1-N 2.68Å; N660-G683 VanDerWaalsContact OD1-N 3.09Å; N660-M758 PolarHBondContact ND2-O 3.43Å
661	I	98.5	Very high	96.4	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.01	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	153.3	171.3	61.9	166.9	0	0	0	112.7	P640 C642 L651 S658 L667 Y677 G683 I684 A685	P640-I661 WeakPolarHBondContact O-CA 3.4Å; C642-I661 HydrophobicContact CB-CB 3.86Å; C642-I661 HydrophobicContact CB-CD1 4.39Å; C642-I661 HydrophobicContact CB-CG2 3.67Å; L651-I661 HydrophobicContact CD2-CD1 3.8Å; S658-I661 WeakPolarHBondContact OG-CG2 3.28Å; I661-L667 HydrophobicContact CD1-CD1 4.27Å; I661-Y677 HydrophobicContact CD1-CD1 4.45Å; I661-Y677 HydrophobicContact CD1-CE1 3.55Å; I661-Y677 HydrophobicContact CG1-CE1 3.96Å; I661-Y677 HydrophobicContact CG2-CE1 4.43Å; I661-G683 PolarHBondContact N-O 2.9Å; I661-I684 HydrophobicContact CD1-CG1 4.32Å; I661-I684 HydrophobicContact CD1-CG2 4.35Å; I661-I684 HydrophobicContact CG1-CB 4.38Å; I661-I684 HydrophobicContact CG1-CG1 4.07Å; I661-I684 HydrophobicContact CG1-CG2 4.18Å; I661-I684 WeakPolarHBondContact O-CA 3.31Å; I661-A685 PolarHBondContact O-N 3.36Å
662	S	98.2	Very high	96.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	145.1	160.5	-67.3	0	0	0	0	110.8	H372 R494 P640 C642 G664 A685	H372-S662 PolarHBondContact ND1-OG 3.49Å; R494-S662 PolarHBondContact NH2-OG 2.85Å; R494-S662 VanDerWaalsContact NH2-OG 3.14Å; P640-S662 PolarHBondContact O-N 3.04Å; C642-S662 PolarHBondContact N-O 3.31Å; C642-S662 VanDerWaalsContact N-O 3.11Å; C642-S662 VanDerWaalsContact O-O 3.13Å; S662-G664 PolarHBondContact O-N 2.99Å; S662-A685 CarbonylContact C-O 3.58Å; S662-A685 WeakPolarHBondContact CA-O 3.46Å
663	H	96.9	Very high	96.6	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71.6	-71.9	177.1	-42	-99.2	0	0	0	116.9	H372 H641 E644 L665 A685 N691 D718	H372-H663 AromaticContact CE1-CE1 3.67Å; H372-H663 AromaticContact CE1-NE2 3.25Å; H372-H663 PolarHBondContact CE1-NE2 3.06Å; H372-H663 VanDerWaalsContact CE1-NE2 3.25Å; H372-H663 AromaticContact ND1-CE1 3.95Å; H372-H663 AromaticContact ND1-NE2 3.69Å; H641-H663 AromaticContact CD2-CD2 3.85Å; H641-H663 AromaticContact CD2-NE2 3.18Å; H641-H663 PolarHBondContact CD2-NE2 3.21Å; H641-H663 AromaticContact CG-NE2 3.8Å; H641-H663 AromaticContact NE2-NE2 3.68Å; E644-H663 HydrophobicContact CB-CB 3.54Å; E644-H663 VanDerWaalsContact CD-CE1 3.45Å; E644-H663 HydrophobicContact CG-CB 3.86Å; E644-H663 IonicContact OE1-CE1 2.78Å; E644-H663 PolarHBondContact OE1-CE1 3.28Å; E644-H663 VanDerWaalsContact OE1-CE1 3.3Å; E644-H663 IonicContact OE1-CG 2.92Å; E644-H663 IonicContact OE1-ND1 2.75Å; E644-H663 PolarHBondContact OE1-ND1 2.88Å; E644-H663 IonicContact OE2-CE1 3.9Å; E644-H663 IonicContact OE2-ND1 3.29Å; E644-H663 IonicContact OE2-NE2 3.24Å; H663-L665 PolarHBondContact O-N 3.03Å; H663-L665 VanDerWaalsContact O-N 3.07Å; H663-A685 PolarHBondContact N-O 3.36Å; H663-N691 PolarHBondContact ND1-ND2 3.22Å; H663-D718 IonicContact CE1-OD2 2.86Å
664	G	96.8	Very high	96.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.062	C	C	.	.			trans	58.6	20.6	179.7	0	0	0	0	0	116.6	C642 G643 S662 L666 L667 Y706	C642-G664 WeakPolarHBondContact O-CA 3.3Å; C642-G664 PolarHBondContact O-N 2.73Å; G643-G664 CarbonylContact O-C 3.55Å; S662-G664 PolarHBondContact O-N 2.99Å; G664-L666 VanDerWaalsContact C-N 3.27Å; G664-L666 PolarHBondContact O-N 3.06Å; G664-L667 WeakPolarHBondContact O-CB 3.23Å; G664-L667 PolarHBondContact O-N 3.4Å; G664-Y706 PolarHBondContact O-OH 3.49Å
665	L	95.7	Very high	96.7	Very high	5 Å²	5	13.8 Å²	13.8	3%	0.026	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-56.1	-38.6	-178.1	-67.7	-176.1	0	0	0	113.1	G643 E644 H663 L667 R668 M686 N691 F695 L696 P702 Y706	G643-L665 WeakPolarHBondContact O-CA 3.35Å; G643-L665 PolarHBondContact O-N 3.12Å; E644-L665 HydrophobicContact CG-CD1 3.94Å; H663-L665 PolarHBondContact O-N 3.03Å; H663-L665 VanDerWaalsContact O-N 3.07Å; L665-L667 VanDerWaalsContact C-N 3.29Å; L665-L667 PolarHBondContact O-N 3.35Å; L665-R668 WeakPolarHBondContact O-CD 3.47Å; L665-R668 WeakPolarHBondContact O-CG 3.42Å; L665-R668 PolarHBondContact O-N 3.3Å; L665-M686 HydrophobicContact CD2-CE 3.94Å; L665-N691 HydrophobicContact CD1-CB 4.03Å; L665-N691 HydrophobicContact CD2-CB 4.46Å; L665-F695 HydrophobicContact CD1-CB 4.39Å; L665-L696 HydrophobicContact CD1-CB 4.39Å; L665-L696 HydrophobicContact CD1-CD2 4.38Å; L665-L696 HydrophobicContact CD2-CD2 4.1Å; L665-P702 HydrophobicContact CD2-CG 4.24Å; L665-Y706 PolarHBondContact O-OH 3.07Å
666	L	95.1	Very high	96.7	Very high	20 Å²	20	13.8 Å²	13.8	11%	0.105	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-76.3	-9.8	-175.6	-66.6	-176.9	0	0	0	114.4	G643 A645 G646 L651 G664 R668 K669	G643-L666 PolarHBondContact O-N 2.97Å; A645-L666 WeakPolarHBondContact O-CD1 3.31Å; G646-L666 WeakPolarHBondContact O-CD1 3.41Å; L651-L666 HydrophobicContact CD1-CB 3.78Å; G664-L666 VanDerWaalsContact C-N 3.27Å; G664-L666 PolarHBondContact O-N 3.06Å; L666-R668 PolarHBondContact O-N 2.89Å; L666-R668 VanDerWaalsContact O-N 3.12Å; L666-K669 HydrophobicContact CD2-CD 4.15Å; L666-K669 WeakPolarHBondContact O-CB 3.48Å; L666-K669 PolarHBondContact O-N 3.29Å
667	L	96.3	Very high	96.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-57.1	-27.1	171	-72.1	167.6	0	0	0	111.6	L651 I661 G664 L665 K669 A670 L673 Q674 Y677 I684 Y706	L651-L667 HydrophobicContact CD1-CD2 3.95Å; L651-L667 HydrophobicContact CD1-CG 3.9Å; L651-L667 HydrophobicContact CD2-CD1 4.46Å; L651-L667 HydrophobicContact CD2-CD2 4.13Å; L651-L667 HydrophobicContact CD2-CG 3.95Å; L651-L667 HydrophobicContact CG-CD2 4.45Å; I661-L667 HydrophobicContact CD1-CD1 4.27Å; G664-L667 WeakPolarHBondContact O-CB 3.23Å; G664-L667 PolarHBondContact O-N 3.4Å; L665-L667 VanDerWaalsContact C-N 3.29Å; L665-L667 PolarHBondContact O-N 3.35Å; L667-K669 PolarHBondContact O-N 3.08Å; L667-K669 VanDerWaalsContact O-N 3.13Å; L667-A670 CarbonylContact O-C 3.34Å; L667-A670 PolarHBondContact O-N 2.77Å; L667-L673 HydrophobicContact CD2-CB 3.64Å; L667-Q674 HydrophobicContact CB-CB 4.29Å; L667-Q674 HydrophobicContact CB-CG 4.42Å; L667-Q674 PolarHBondContact O-NE2 3.32Å; L667-Q674 VanDerWaalsContact O-NE2 3.16Å; L667-Y677 HydrophobicContact CD1-CD1 3.85Å; L667-Y677 HydrophobicContact CD1-CD2 4.38Å; L667-Y677 HydrophobicContact CD1-CE1 4.08Å; L667-Y677 HydrophobicContact CD1-CG 4.02Å; L667-Y677 HydrophobicContact CD2-CD2 3.81Å; L667-Y677 HydrophobicContact CD2-CE2 3.79Å; L667-Y677 HydrophobicContact CD2-CG 4.25Å; L667-I684 HydrophobicContact CD1-CD1 3.62Å; L667-Y706 HydrophobicContact CB-CE2 4.43Å; L667-Y706 WeakPolarHBondContact CB-OH 3.44Å
668	R	93.8	Very high	96.8	Very high	79 Å²	79	14 Å²	14	30%	0.298	6%	0.063	S	C	.	.	G	3₁₀ helix	trans	-54.4	-26.6	170.6	77	-175.8	-81.1	147.8	8.1	114.2	L665 L666 R700 P702 Y706	L665-R668 WeakPolarHBondContact O-CD 3.47Å; L665-R668 WeakPolarHBondContact O-CG 3.42Å; L665-R668 PolarHBondContact O-N 3.3Å; L666-R668 PolarHBondContact O-N 2.89Å; L666-R668 VanDerWaalsContact O-N 3.12Å; R668-R700 PolarHBondContact NH1-O 2.91Å; R668-P702 HydrophobicContact CB-CB 4.39Å; R668-Y706 PolarHBondContact N-OH 3.44Å
669	K	90.5	Very high	96.8	Very high	124 Å²	124	14 Å²	14	54%	0.539	6%	0.063	S	C	.	.	G	3₁₀ helix	trans	-95.2	-10.5	-179.6	-59.9	-171.8	-178.3	177.7	0	112.9	I648 L666 L667 P671	I648-K669 HydrophobicContact CD1-CB 4.39Å; L666-K669 HydrophobicContact CD2-CD 4.15Å; L666-K669 WeakPolarHBondContact O-CB 3.48Å; L666-K669 PolarHBondContact O-N 3.29Å; L667-K669 PolarHBondContact O-N 3.08Å; L667-K669 VanDerWaalsContact O-N 3.13Å; K669-P671 WeakPolarHBondContact O-CD 3.34Å
670	A	94.2	Very high	96.9	Very high	2 Å²	2	13.1 Å²	13.1	2%	0.017	6%	0.059	C	C	.	.			trans	-124.5	78.1	-172.8	0	0	0	0	0	111.6	I648 L667 V672 L673 Q674	I648-A670 HydrophobicContact CG2-CB 3.98Å; L667-A670 CarbonylContact O-C 3.34Å; L667-A670 PolarHBondContact O-N 2.77Å; A670-V672 PolarHBondContact O-N 3.48Å; A670-V672 VanDerWaalsContact O-N 3.14Å; A670-L673 HydrophobicContact CB-CB 4.1Å; A670-L673 HydrophobicContact CB-CD1 4.1Å; A670-L673 HydrophobicContact CB-CG 4.49Å; A670-L673 PolarHBondContact O-N 3.47Å; A670-L673 VanDerWaalsContact O-N 3.1Å; A670-Q674 PolarHBondContact O-N 2.96Å
671	P	96.2	Very high	96.9	Very high	14 Å²	14	13.9 Å²	13.9	9%	0.091	6%	0.062	C	C	.	.	H	α-helix	trans	-54.8	-34.9	-177.5	-27.5	35	0	0	0	114.5	K326 C329 Y330 L333 K669 Y675	K326-P671 HydrophobicContact CG-CB 4.5Å; K326-P671 HydrophobicContact CG-CG 4.23Å; C329-P671 HydrophobicContact CB-CB 4.38Å; C329-P671 WeakPolarHBondContact CB-O 3.46Å; Y330-P671 HydrophobicContact CD2-CG 4.16Å; L333-P671 HydrophobicContact CD1-CB 4.04Å; L333-P671 VanDerWaalsContact CD1-O 3.29Å; L333-P671 WeakPolarHBondContact CD1-O 3.18Å; K669-P671 WeakPolarHBondContact O-CD 3.34Å; P671-Y675 WeakPolarHBondContact O-CB 3.3Å; P671-Y675 PolarHBondContact O-N 3.29Å
672	V	97.4	Very high	96.9	Very high	2 Å²	2	14 Å²	14	1%	0.012	6%	0.063	C	C	.	.	H	α-helix	trans	-63.4	-51	177.3	-175	0	0	0	0	110.8	I320 V325 K326 C329 A670 Y675 L676	I320-V672 HydrophobicContact CG1-CB 4.33Å; I320-V672 HydrophobicContact CG1-CG1 4.46Å; V325-V672 HydrophobicContact CG1-CG1 3.98Å; V325-V672 HydrophobicContact CG1-CG2 3.97Å; K326-V672 HydrophobicContact CB-CG2 4Å; C329-V672 HydrophobicContact CB-CG2 4.44Å; A670-V672 PolarHBondContact O-N 3.48Å; A670-V672 VanDerWaalsContact O-N 3.14Å; V672-Y675 PolarHBondContact O-N 2.83Å; V672-L676 HydrophobicContact CG1-CD1 4.1Å; V672-L676 VanDerWaalsContact O-CG 3.29Å; V672-L676 WeakPolarHBondContact O-CG 3.34Å; V672-L676 PolarHBondContact O-N 2.95Å
673	L	98.2	Very high	96.9	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-64.1	-45.4	176.3	-75.1	170.4	0	0	0	111.4	M316 I320 I648 L651 V652 F655 L667 A670 Y675 L676 Y677	M316-L673 HydrophobicContact CE-CD2 4.32Å; I320-L673 HydrophobicContact CD1-CD1 3.55Å; I320-L673 HydrophobicContact CD1-CD2 3.95Å; I320-L673 HydrophobicContact CD1-CG 3.58Å; I320-L673 HydrophobicContact CG1-CD1 4.31Å; I320-L673 HydrophobicContact CG1-CG 3.96Å; I648-L673 HydrophobicContact CG2-CD1 3.99Å; L651-L673 HydrophobicContact CB-CD1 3.71Å; V652-L673 HydrophobicContact CG2-CD1 4.19Å; V652-L673 HydrophobicContact CG2-CD2 4.45Å; F655-L673 HydrophobicContact CB-CD2 4.08Å; F655-L673 HydrophobicContact CG-CD2 4.28Å; L667-L673 HydrophobicContact CD2-CB 3.64Å; A670-L673 HydrophobicContact CB-CB 4.1Å; A670-L673 HydrophobicContact CB-CD1 4.1Å; A670-L673 HydrophobicContact CB-CG 4.49Å; A670-L673 PolarHBondContact O-N 3.47Å; A670-L673 VanDerWaalsContact O-N 3.1Å; L673-Y675 VanDerWaalsContact C-N 3.27Å; L673-Y675 PolarHBondContact O-N 2.86Å; L673-L676 CarbonylContact O-C 3.51Å; L673-L676 WeakPolarHBondContact O-CA 3.34Å; L673-L676 WeakPolarHBondContact O-CB 3.4Å; L673-L676 PolarHBondContact O-N 3.31Å; L673-Y677 HydrophobicContact CD2-CE2 4.42Å; L673-Y677 VanDerWaalsContact O-CD2 3.22Å; L673-Y677 WeakPolarHBondContact O-CD2 3.19Å; L673-Y677 PolarHBondContact O-N 3.48Å
674	Q	98.5	Very high	97	Very high	4 Å²	4	13.9 Å²	13.9	2%	0.019	6%	0.062	C	C	.	.	H	α-helix	trans	-60	-37.9	-179.7	-168.4	-173.8	109.7	0	0	112.5	L333 L667 A670 Y678 Y706 L711	L333-Q674 HydrophobicContact CD1-CB 3.94Å; L333-Q674 HydrophobicContact CD1-CG 4.23Å; L333-Q674 HydrophobicContact CD2-CG 4.13Å; L667-Q674 HydrophobicContact CB-CB 4.29Å; L667-Q674 HydrophobicContact CB-CG 4.42Å; L667-Q674 PolarHBondContact O-NE2 3.32Å; L667-Q674 VanDerWaalsContact O-NE2 3.16Å; A670-Q674 PolarHBondContact O-N 2.96Å; Q674-Y678 PolarHBondContact O-N 3.47Å; Q674-Y706 HydrophobicContact CG-CE1 4.46Å; Q674-Y706 VanDerWaalsContact NE2-CE1 3.29Å; Q674-L711 HydrophobicContact CG-CD1 4.39Å; Q674-L711 HydrophobicContact CG-CD2 3.84Å
675	Y	98.6	Very high	97.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-69.8	-36.3	174	-171.7	-120.3	0	0	0	112.3	V192 F328 C329 R332 L333 L336 P671 V672 L673 Y678 L679 E804	V192-Y675 HydrophobicContact CG1-CE1 4.37Å; V192-Y675 HydrophobicContact CG2-CD1 4.38Å; V192-Y675 HydrophobicContact CG2-CE1 4.47Å; F328-Y675 HydrophobicContact CE1-CE1 4.05Å; C329-Y675 HydrophobicContact CB-CD1 4.2Å; C329-Y675 HydrophobicContact CB-CG 4.24Å; R332-Y675 HydrophobicContact CB-CD2 3.92Å; R332-Y675 HydrophobicContact CB-CE2 3.48Å; R332-Y675 VanDerWaalsContact CB-CE2 3.48Å; R332-Y675 HydrophobicContact CG-CE1 4.35Å; R332-Y675 HydrophobicContact CG-CE2 4.06Å; L333-Y675 HydrophobicContact CD2-CD2 4.22Å; L333-Y675 HydrophobicContact CG-CD2 4.33Å; L336-Y675 HydrophobicContact CD1-CE2 4.47Å; P671-Y675 WeakPolarHBondContact O-CB 3.3Å; P671-Y675 PolarHBondContact O-N 3.29Å; V672-Y675 PolarHBondContact O-N 2.83Å; L673-Y675 VanDerWaalsContact C-N 3.27Å; L673-Y675 PolarHBondContact O-N 2.86Å; Y675-Y678 HydrophobicContact CD2-CD1 4.11Å; Y675-Y678 HydrophobicContact CE2-CD1 4.08Å; Y675-Y678 HydrophobicContact CE2-CE1 4.39Å; Y675-Y678 WeakPolarHBondContact O-CB 3.34Å; Y675-Y678 PolarHBondContact O-N 3.43Å; Y675-L679 HydrophobicContact CD1-CD1 3.89Å; Y675-L679 HydrophobicContact CE1-CD1 3.49Å; Y675-L679 VanDerWaalsContact CE1-CD1 3.49Å; Y675-L679 HydrophobicContact CE1-CG 4.23Å; Y675-L679 HydrophobicContact CE2-CD1 4.44Å; Y675-L679 HydrophobicContact CE2-CD2 4.4Å; Y675-L679 HydrophobicContact CE2-CG 4.32Å; Y675-L679 WeakPolarHBondContact O-CG 3.4Å; Y675-L679 PolarHBondContact O-N 3.47Å; Y675-E804 PolarHBondContact OH-OE2 3.08Å
676	L	98.7	Very high	97.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-67.5	-38.5	172.8	-71.9	168	0	0	0	113.2	V192 A195 L196 M316 F655 V672 L673 Y678 L679 A680	V192-L676 HydrophobicContact CG1-CD2 3.91Å; A195-L676 HydrophobicContact CB-CD1 3.72Å; A195-L676 HydrophobicContact CB-CD2 3.7Å; A195-L676 HydrophobicContact CB-CG 4.4Å; L196-L676 HydrophobicContact CD2-CD2 4.05Å; L196-L676 HydrophobicContact CG-CD2 4.02Å; M316-L676 HydrophobicContact CE-CD1 3.92Å; F655-L676 HydrophobicContact CD2-CB 4.17Å; F655-L676 HydrophobicContact CE1-CD1 4.45Å; F655-L676 HydrophobicContact CE2-CB 3.57Å; F655-L676 HydrophobicContact CE2-CG 4.5Å; F655-L676 HydrophobicContact CZ-CB 3.91Å; F655-L676 HydrophobicContact CZ-CD1 4.27Å; F655-L676 HydrophobicContact CZ-CD2 4.22Å; F655-L676 HydrophobicContact CZ-CG 4.38Å; V672-L676 HydrophobicContact CG1-CD1 4.1Å; V672-L676 VanDerWaalsContact O-CG 3.29Å; V672-L676 WeakPolarHBondContact O-CG 3.34Å; V672-L676 PolarHBondContact O-N 2.95Å; L673-L676 CarbonylContact O-C 3.51Å; L673-L676 WeakPolarHBondContact O-CA 3.34Å; L673-L676 WeakPolarHBondContact O-CB 3.4Å; L673-L676 PolarHBondContact O-N 3.31Å; L676-Y678 VanDerWaalsContact C-N 3.31Å; L676-L679 PolarHBondContact O-N 2.62Å; L676-A680 VanDerWaalsContact O-CB 3.31Å; L676-A680 WeakPolarHBondContact O-CB 3.36Å; L676-A680 PolarHBondContact O-N 3.05Å
677	Y	98.6	Very high	97.4	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-65.2	-35.4	173.3	-86.1	-114.4	0	0	0	111.4	L651 F655 I661 L667 L673 Q681 I682 I684	L651-Y677 PolarHBondContact O-OH 2.99Å; F655-Y677 HydrophobicContact CB-CE2 3.78Å; F655-Y677 AromaticContact CD2-CD2 3.9Å; F655-Y677 HydrophobicContact CD2-CD2 3.9Å; F655-Y677 AromaticContact CD2-CE2 3.86Å; F655-Y677 HydrophobicContact CD2-CE2 3.86Å; F655-Y677 HydrophobicContact CG-CE2 4.28Å; F655-Y677 PolarHBondContact N-OH 3.28Å; I661-Y677 HydrophobicContact CD1-CD1 4.45Å; I661-Y677 HydrophobicContact CD1-CE1 3.55Å; I661-Y677 HydrophobicContact CG1-CE1 3.96Å; I661-Y677 HydrophobicContact CG2-CE1 4.43Å; L667-Y677 HydrophobicContact CD1-CD1 3.85Å; L667-Y677 HydrophobicContact CD1-CD2 4.38Å; L667-Y677 HydrophobicContact CD1-CE1 4.08Å; L667-Y677 HydrophobicContact CD1-CG 4.02Å; L667-Y677 HydrophobicContact CD2-CD2 3.81Å; L667-Y677 HydrophobicContact CD2-CE2 3.79Å; L667-Y677 HydrophobicContact CD2-CG 4.25Å; L673-Y677 HydrophobicContact CD2-CE2 4.42Å; L673-Y677 VanDerWaalsContact O-CD2 3.22Å; L673-Y677 WeakPolarHBondContact O-CD2 3.19Å; L673-Y677 PolarHBondContact O-N 3.48Å; Y677-Q681 WeakPolarHBondContact O-CA 3.42Å; Y677-Q681 PolarHBondContact O-N 3.39Å; Y677-I682 HydrophobicContact CD1-CB 3.61Å; Y677-I682 HydrophobicContact CD1-CD1 3.9Å; Y677-I682 HydrophobicContact CD1-CG1 4.24Å; Y677-I682 HydrophobicContact CD1-CG2 3.79Å; Y677-I682 HydrophobicContact CD2-CD1 4.06Å; Y677-I682 HydrophobicContact CE1-CB 4.09Å; Y677-I682 HydrophobicContact CE1-CD1 4.07Å; Y677-I682 HydrophobicContact CE1-CG2 3.73Å; Y677-I682 HydrophobicContact CE2-CD1 4.29Å; Y677-I682 HydrophobicContact CG-CB 4.2Å; Y677-I682 HydrophobicContact CG-CD1 3.89Å; Y677-I682 HydrophobicContact CG-CG1 4.41Å; Y677-I682 PolarHBondContact O-N 2.78Å; Y677-I682 VanDerWaalsContact O-N 3.09Å; Y677-I684 HydrophobicContact CD1-CD1 4.04Å; Y677-I684 HydrophobicContact CD1-CG1 4.12Å
678	Y	98.8	Very high	97.4	Very high	4 Å²	4	13 Å²	13	2%	0.016	6%	0.058	C	C	.	.	H	α-helix	trans	-64.4	-51.9	170.1	166.9	-99.5	0	0	0	112	L336 Q674 Y675 L676 A680 Q681 R709 G710 L711 M801 E804	L336-Y678 HydrophobicContact CD1-CD1 3.79Å; L336-Y678 HydrophobicContact CD1-CD2 4.12Å; L336-Y678 HydrophobicContact CD1-CE1 3.63Å; L336-Y678 HydrophobicContact CD1-CE2 3.96Å; L336-Y678 HydrophobicContact CD1-CG 4.03Å; L336-Y678 HydrophobicContact CD2-CE1 4.24Å; L336-Y678 HydrophobicContact CD2-CE2 4.31Å; L336-Y678 WeakPolarHBondContact CD2-OH 3.42Å; Q674-Y678 PolarHBondContact O-N 3.47Å; Y675-Y678 HydrophobicContact CD2-CD1 4.11Å; Y675-Y678 HydrophobicContact CE2-CD1 4.08Å; Y675-Y678 HydrophobicContact CE2-CE1 4.39Å; Y675-Y678 WeakPolarHBondContact O-CB 3.34Å; Y675-Y678 PolarHBondContact O-N 3.43Å; L676-Y678 VanDerWaalsContact C-N 3.31Å; Y678-A680 VanDerWaalsContact C-N 3.35Å; Y678-A680 PolarHBondContact O-N 3.24Å; Y678-Q681 PolarHBondContact O-N 3.03Å; Y678-Q681 PolarHBondContact O-NE2 3.04Å; Y678-R709 WeakPolarHBondContact CD2-O 3.39Å; Y678-R709 WeakPolarHBondContact CE2-O 3.37Å; Y678-G710 WeakPolarHBondContact CD2-O 3.47Å; Y678-L711 HydrophobicContact CD2-CD1 4.45Å; Y678-M801 WeakPolarHBondContact OH-CA 3.49Å; Y678-M801 PolarHBondContact OH-N 2.85Å; Y678-E804 HydrophobicContact CE1-CB 4.03Å; Y678-E804 HydrophobicContact CE1-CG 3.8Å
679	L	98.6	Very high	97.5	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-67.1	-32.9	-178.1	-69.3	176.3	0	0	0	113	V192 L196 T214 Y675 L676 E804 L805 I808	V192-L679 HydrophobicContact CG1-CD1 3.47Å; V192-L679 VanDerWaalsContact CG1-CD1 3.47Å; L196-L679 HydrophobicContact CD1-CB 4.3Å; L196-L679 HydrophobicContact CD1-CD1 4.23Å; L196-L679 HydrophobicContact CD2-CB 4.15Å; T214-L679 PolarHBondContact OG1-O 3.39Å; Y675-L679 HydrophobicContact CD1-CD1 3.89Å; Y675-L679 HydrophobicContact CE1-CD1 3.49Å; Y675-L679 VanDerWaalsContact CE1-CD1 3.49Å; Y675-L679 HydrophobicContact CE1-CG 4.23Å; Y675-L679 HydrophobicContact CE2-CD1 4.44Å; Y675-L679 HydrophobicContact CE2-CD2 4.4Å; Y675-L679 HydrophobicContact CE2-CG 4.32Å; Y675-L679 WeakPolarHBondContact O-CG 3.4Å; Y675-L679 PolarHBondContact O-N 3.47Å; L676-L679 PolarHBondContact O-N 2.62Å; L679-E804 HydrophobicContact CD2-CB 3.93Å; L679-L805 HydrophobicContact CB-CD2 4.49Å; L679-L805 HydrophobicContact CD2-CD2 3.89Å; L679-L805 HydrophobicContact CD2-CG 4.1Å; L679-I808 HydrophobicContact CD1-CD1 3.8Å
680	A	98	Very high	97.7	Very high	3 Å²	3	4.2 Å²	4.2	3%	0.025	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	3.8	175.6	0	0	0	0	0	113.7	L196 F210 Y211 F655 L676 Y678 I682	L196-A680 HydrophobicContact CD2-CB 4.02Å; F210-A680 HydrophobicContact CE2-CB 4.39Å; Y211-A680 WeakPolarHBondContact CB-O 3.43Å; F655-A680 HydrophobicContact CE2-CB 4.37Å; L676-A680 VanDerWaalsContact O-CB 3.31Å; L676-A680 WeakPolarHBondContact O-CB 3.36Å; L676-A680 PolarHBondContact O-N 3.05Å; Y678-A680 VanDerWaalsContact C-N 3.35Å; Y678-A680 PolarHBondContact O-N 3.24Å; A680-I682 HydrophobicContact CB-CD1 4.15Å; A680-I682 HydrophobicContact CB-CG1 3.81Å; A680-I682 PolarHBondContact O-N 3.5Å; A680-I682 VanDerWaalsContact O-N 3.12Å
681	Q	98.2	Very high	97.7	Very high	32 Å²	32	4.1 Å²	4.1	15%	0.15	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.4	41.6	-178.7	-70.9	-70.4	-65	0	0	114.4	Y211 Y677 Y678 G683 G710 M801	Y211-Q681 HydrophobicContact CD1-CB 3.98Å; Y211-Q681 HydrophobicContact CD1-CG 3.79Å; Y211-Q681 HydrophobicContact CD2-CB 3.76Å; Y211-Q681 HydrophobicContact CD2-CG 4.16Å; Y211-Q681 HydrophobicContact CE1-CB 4.32Å; Y211-Q681 HydrophobicContact CE1-CG 3.71Å; Y211-Q681 HydrophobicContact CE2-CB 4.13Å; Y211-Q681 HydrophobicContact CE2-CG 4.09Å; Y211-Q681 HydrophobicContact CG-CB 3.68Å; Y211-Q681 HydrophobicContact CG-CG 4.01Å; Y677-Q681 WeakPolarHBondContact O-CA 3.42Å; Y677-Q681 PolarHBondContact O-N 3.39Å; Y678-Q681 PolarHBondContact O-N 3.03Å; Y678-Q681 PolarHBondContact O-NE2 3.04Å; Q681-G683 PolarHBondContact O-N 3.08Å; Q681-G710 PolarHBondContact NE2-O 2.78Å; Q681-M801 HydrophobicContact CG-SD 3.86Å
682	I	98.5	Very high	97.5	Very high	3 Å²	3	6.4 Å²	6.4	2%	0.015	3%	0.034	C	C	.	.			trans	-69.2	129.9	-177.2	-52.5	-179.6	0	0	0	109.6	R199 F655 Y677 A680	R199-I682 VanDerWaalsContact CZ-CD1 3.46Å; F655-I682 HydrophobicContact CD2-CD1 3.44Å; F655-I682 VanDerWaalsContact CD2-CD1 3.44Å; F655-I682 HydrophobicContact CE2-CD1 3.77Å; F655-I682 HydrophobicContact CG-CD1 4.49Å; Y677-I682 HydrophobicContact CD1-CB 3.61Å; Y677-I682 HydrophobicContact CD1-CD1 3.9Å; Y677-I682 HydrophobicContact CD1-CG1 4.24Å; Y677-I682 HydrophobicContact CD1-CG2 3.79Å; Y677-I682 HydrophobicContact CD2-CD1 4.06Å; Y677-I682 HydrophobicContact CE1-CB 4.09Å; Y677-I682 HydrophobicContact CE1-CD1 4.07Å; Y677-I682 HydrophobicContact CE1-CG2 3.73Å; Y677-I682 HydrophobicContact CE2-CD1 4.29Å; Y677-I682 HydrophobicContact CG-CB 4.2Å; Y677-I682 HydrophobicContact CG-CD1 3.89Å; Y677-I682 HydrophobicContact CG-CG1 4.41Å; Y677-I682 PolarHBondContact O-N 2.78Å; Y677-I682 VanDerWaalsContact O-N 3.09Å; A680-I682 HydrophobicContact CB-CD1 4.15Å; A680-I682 HydrophobicContact CB-CG1 3.81Å; A680-I682 PolarHBondContact O-N 3.5Å; A680-I682 VanDerWaalsContact O-N 3.12Å
683	G	98.3	Very high	96.9	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	133.3	179	0	0	0	0	0	112.7	N660 I661 Q681 M712	N660-G683 CarbonylContact C-O 3.6Å; N660-G683 VanDerWaalsContact CA-O 3.31Å; N660-G683 WeakPolarHBondContact CA-O 3.25Å; N660-G683 WeakPolarHBondContact CB-O 3.46Å; N660-G683 WeakPolarHBondContact OD1-CA 3.48Å; N660-G683 PolarHBondContact OD1-N 2.68Å; N660-G683 VanDerWaalsContact OD1-N 3.09Å; I661-G683 PolarHBondContact N-O 2.9Å; Q681-G683 PolarHBondContact O-N 3.08Å; G683-M712 CarbonylContact C-O 3.57Å; G683-M712 WeakPolarHBondContact CA-O 3.22Å
684	I	98.8	Very high	96.1	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	107.3	176.3	-50.9	170.6	0	0	0	108.6	I661 L667 Y677 M686 Y706 L711 M712 V713 S714	I661-I684 HydrophobicContact CD1-CG1 4.32Å; I661-I684 HydrophobicContact CD1-CG2 4.35Å; I661-I684 HydrophobicContact CG1-CB 4.38Å; I661-I684 HydrophobicContact CG1-CG1 4.07Å; I661-I684 HydrophobicContact CG1-CG2 4.18Å; I661-I684 WeakPolarHBondContact O-CA 3.31Å; L667-I684 HydrophobicContact CD1-CD1 3.62Å; Y677-I684 HydrophobicContact CD1-CD1 4.04Å; Y677-I684 HydrophobicContact CD1-CG1 4.12Å; I684-M686 HydrophobicContact CG2-CG 3.68Å; I684-M686 HydrophobicContact CG2-SD 4.26Å; I684-Y706 HydrophobicContact CD1-CD2 4.26Å; I684-Y706 HydrophobicContact CD1-CE2 4.46Å; I684-L711 HydrophobicContact CD1-CD2 3.86Å; I684-M712 PolarHBondContact N-O 3.27Å; I684-V713 HydrophobicContact CB-CG1 4.23Å; I684-V713 HydrophobicContact CD1-CG1 4.48Å; I684-V713 WeakPolarHBondContact O-CA 3.34Å; I684-S714 PolarHBondContact O-N 2.79Å
685	A	98.5	Very high	95.2	Very high	5 Å²	5	8.6 Å²	8.6	4%	0.041	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	112.4	174.7	0	0	0	0	0	110.1	T371 H372 I661 S662 H663 S714	T371-A685 WeakPolarHBondContact OG1-CB 3.35Å; H372-A685 HydrophobicContact CB-CB 3.85Å; I661-A685 PolarHBondContact O-N 3.36Å; S662-A685 CarbonylContact C-O 3.58Å; S662-A685 WeakPolarHBondContact CA-O 3.46Å; H663-A685 PolarHBondContact N-O 3.36Å; A685-S714 WeakPolarHBondContact CA-OG 3.49Å
686	M	98.3	Very high	94.6	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	136.6	-173.3	-61.6	-170.5	72.9	0	0	111.6	L665 I684 P688 N701 P702 L703 Y706 V713 S714 L715 S716	L665-M686 HydrophobicContact CD2-CE 3.94Å; I684-M686 HydrophobicContact CG2-CG 3.68Å; I684-M686 HydrophobicContact CG2-SD 4.26Å; M686-P688 VanDerWaalsContact O-CD 3.29Å; M686-P688 WeakPolarHBondContact O-CD 3.44Å; M686-N701 VanDerWaalsContact CE-OD1 3.31Å; M686-N701 WeakPolarHBondContact CE-OD1 3.19Å; M686-P702 HydrophobicContact CE-CG 3.98Å; M686-L703 HydrophobicContact CB-CD1 3.93Å; M686-L703 HydrophobicContact CE-CB 4.01Å; M686-L703 HydrophobicContact SD-CB 3.72Å; M686-L703 HydrophobicContact SD-CD1 4.29Å; M686-L703 HydrophobicContact SD-CG 4.01Å; M686-Y706 HydrophobicContact CE-CD2 4.39Å; M686-Y706 HydrophobicContact CE-CE2 4.21Å; M686-Y706 HydrophobicContact SD-CD2 3.81Å; M686-Y706 HydrophobicContact SD-CE2 4.14Å; M686-V713 HydrophobicContact SD-CG1 4.08Å; M686-S714 PolarHBondContact N-O 2.77Å; M686-L715 WeakPolarHBondContact O-CA 3.38Å; M686-S716 PolarHBondContact N-OG 2.96Å; M686-S716 PolarHBondContact O-N 3.43Å; M686-S716 PolarHBondContact O-OG 2.89Å
687	S	97.9	Very high	94.1	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.069	C	C	.	.			trans	-119.7	79.9	-178.7	-52.2	0	0	0	0	112	L689 S690 N691 S716	S687-L689 PolarHBondContact O-N 3.07Å; S687-S690 WeakPolarHBondContact O-CB 3.4Å; S687-S690 PolarHBondContact O-N 2.8Å; S687-N691 PolarHBondContact O-N 3.01Å; S687-N691 PolarHBondContact O-OD1 3.03Å; S687-S716 VanDerWaalsContact CA-O 3.31Å; S687-S716 WeakPolarHBondContact CA-O 3.35Å; S687-S716 WeakPolarHBondContact CB-O 3.47Å; S687-S716 PolarHBondContact OG-O 3.34Å; S687-S716 PolarHBondContact OG-OG 2.76Å
688	P	97.4	Very high	93.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-56.8	-35.6	-170.5	-29.6	37.3	0	0	0	116.8	M686 N692 Y698 L703 L715 E733 W741	M686-P688 VanDerWaalsContact O-CD 3.29Å; M686-P688 WeakPolarHBondContact O-CD 3.44Å; P688-N692 WeakPolarHBondContact O-CB 3.47Å; P688-N692 PolarHBondContact O-N 2.87Å; P688-Y698 HydrophobicContact CB-CD2 4.02Å; P688-Y698 HydrophobicContact CB-CE2 3.37Å; P688-L703 HydrophobicContact CG-CD1 4.04Å; P688-L715 HydrophobicContact CG-CD2 3.62Å; P688-E733 WeakPolarHBondContact CD-OE1 3.27Å; P688-W741 HydrophobicContact CB-CH2 3.77Å; P688-W741 HydrophobicContact CB-CZ2 4.39Å; P688-W741 HydrophobicContact CG-CH2 3.56Å; P688-W741 HydrophobicContact CG-CZ3 4.2Å
689	L	96	Very high	93.4	Very high	20 Å²	20	19.9 Å²	19.9	11%	0.105	11%	0.105	C	C	.	.	H	α-helix	trans	-71.5	-38.5	177.6	-67.7	171.5	0	0	0	112.2	S687 S693 Y698 F723 E732 E733 I736	S687-L689 PolarHBondContact O-N 3.07Å; L689-S693 WeakPolarHBondContact O-CB 3.34Å; L689-S693 PolarHBondContact O-N 3.19Å; L689-S693 VanDerWaalsContact O-N 3.14Å; L689-S693 PolarHBondContact O-OG 3.32Å; L689-Y698 HydrophobicContact CD2-CD2 4.12Å; L689-Y698 HydrophobicContact CD2-CE2 3.77Å; L689-Y698 HydrophobicContact CG-CE2 4.1Å; L689-F723 HydrophobicContact CB-CB 4.4Å; L689-E732 HydrophobicContact CD1-CG 4.45Å; L689-E733 VanDerWaalsContact CB-OE1 3.24Å; L689-E733 WeakPolarHBondContact CB-OE1 3.49Å; L689-E733 HydrophobicContact CD1-CG 3.91Å; L689-E733 HydrophobicContact CG-CG 4.35Å; L689-E733 VanDerWaalsContact CG-OE1 3.3Å; L689-E733 WeakPolarHBondContact CG-OE1 3.4Å; L689-E733 PolarHBondContact N-OE1 3.23Å; L689-I736 HydrophobicContact CD1-CD1 4.05Å; L689-I736 HydrophobicContact CD2-CD1 4Å; L689-I736 HydrophobicContact CD2-CG2 4.42Å
690	S	94.9	Very high	93.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.8	-54.6	170.1	174.9	0	0	0	0	110.3	S687 N692 S693 L694 D718 F723	S687-S690 WeakPolarHBondContact O-CB 3.4Å; S687-S690 PolarHBondContact O-N 2.8Å; S690-N692 VanDerWaalsContact C-N 3.26Å; S690-N692 PolarHBondContact O-N 3Å; S690-S693 CarbonylContact O-C 3.6Å; S690-S693 WeakPolarHBondContact O-CA 3.44Å; S690-S693 WeakPolarHBondContact O-CB 3.46Å; S690-S693 PolarHBondContact O-N 3.28Å; S690-L694 PolarHBondContact O-N 3.17Å; S690-D718 WeakPolarHBondContact CB-OD2 3.18Å; S690-D718 PolarHBondContact OG-OD2 2.85Å; S690-F723 VanDerWaalsContact OG-CE2 3.25Å; S690-F723 WeakPolarHBondContact OG-CE2 3.34Å; S690-F723 WeakPolarHBondContact OG-CZ 3.41Å
691	N	93.2	Very high	93	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.8	-39.1	179.7	-53.8	146	0	0	0	111.7	E644 H663 L665 S687 S693 L694 F695 L696 N701	E644-N691 PolarHBondContact OE1-ND2 3.46Å; H663-N691 PolarHBondContact ND1-ND2 3.22Å; L665-N691 HydrophobicContact CD1-CB 4.03Å; L665-N691 HydrophobicContact CD2-CB 4.46Å; S687-N691 PolarHBondContact O-N 3.01Å; S687-N691 PolarHBondContact O-OD1 3.03Å; N691-S693 VanDerWaalsContact C-N 3.28Å; N691-S693 PolarHBondContact O-N 3.41Å; N691-L694 PolarHBondContact O-N 3.39Å; N691-F695 PolarHBondContact O-N 3.21Å; N691-L696 CarbonylContact C-O 3.48Å; N691-L696 PolarHBondContact O-N 2.92Å; N691-N701 PolarHBondContact OD1-ND2 3.39Å
692	N	92	Very high	93	Very high	61 Å²	61	23.3 Å²	23.3	33%	0.326	12%	0.116	S	C	.	.	H	α-helix	trans	-62.2	-33	174.6	174	78.9	0	0	0	113.6	P688 S690 L696 Y698	P688-N692 WeakPolarHBondContact O-CB 3.47Å; P688-N692 PolarHBondContact O-N 2.87Å; S690-N692 VanDerWaalsContact C-N 3.26Å; S690-N692 PolarHBondContact O-N 3Å; N692-L696 WeakPolarHBondContact CA-O 3.36Å; N692-L696 PolarHBondContact N-O 3.17Å; N692-Y698 HydrophobicContact CB-CD2 4.05Å; N692-Y698 WeakPolarHBondContact OD1-CB 3.19Å; N692-Y698 PolarHBondContact OD1-N 2.88Å
693	S	85.8	Confident	93	Very high	25 Å²	25	23.1 Å²	23.1	18%	0.175	12%	0.115	C	C	.	.	H	α-helix	trans	-84.7	-25.8	-179	-55.7	0	0	0	0	112.7	F438 L689 S690 N691 F723	F438-S693 VanDerWaalsContact CA-O 3.3Å; F438-S693 WeakPolarHBondContact CA-O 3.24Å; F438-S693 PolarHBondContact N-O 2.94Å; L689-S693 WeakPolarHBondContact O-CB 3.34Å; L689-S693 PolarHBondContact O-N 3.19Å; L689-S693 VanDerWaalsContact O-N 3.14Å; L689-S693 PolarHBondContact O-OG 3.32Å; S690-S693 CarbonylContact O-C 3.6Å; S690-S693 WeakPolarHBondContact O-CA 3.44Å; S690-S693 WeakPolarHBondContact O-CB 3.46Å; S690-S693 PolarHBondContact O-N 3.28Å; N691-S693 VanDerWaalsContact C-N 3.28Å; N691-S693 PolarHBondContact O-N 3.41Å; S693-F723 VanDerWaalsContact CB-CE1 3.48Å
694	L	80.3	Confident	92.9	Very high	3 Å²	3	25 Å²	25	2%	0.016	13%	0.128	C	C	.	.	H	α-helix	trans	-109.5	-42.3	-173.5	-62.4	-175.2	0	0	0	115.2	T437 H439 F444 S690 N691 F723	T437-L694 HydrophobicContact CG2-CD2 3.73Å; H439-L694 WeakPolarHBondContact CA-O 3.37Å; H439-L694 PolarHBondContact CD2-O 3.22Å; H439-L694 PolarHBondContact N-O 2.92Å; F444-L694 HydrophobicContact CB-CD2 3.88Å; F444-L694 HydrophobicContact CD1-CD1 4.42Å; F444-L694 HydrophobicContact CD2-CD1 4.28Å; F444-L694 HydrophobicContact CD2-CD2 3.91Å; F444-L694 HydrophobicContact CE1-CD1 4.47Å; F444-L694 HydrophobicContact CE2-CD1 4.33Å; F444-L694 HydrophobicContact CG-CD1 4.32Å; F444-L694 HydrophobicContact CG-CD2 3.9Å; F444-L694 HydrophobicContact CZ-CD1 4.42Å; S690-L694 PolarHBondContact O-N 3.17Å; N691-L694 PolarHBondContact O-N 3.39Å; L694-F723 HydrophobicContact CD1-CZ 4.02Å; L694-F723 HydrophobicContact CD2-CZ 4.47Å; L694-F723 HydrophobicContact CG-CE1 4.33Å; L694-F723 HydrophobicContact CG-CZ 4.07Å
695	F	80.6	Confident	92.9	Very high	24 Å²	24	28 Å²	28	11%	0.105	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.7	-28.9	-161.8	-63.6	-69.4	0	0	0	117.1	H439 F441 E644 A645 L665 N691	H439-F695 VanDerWaalsContact NE2-CA 3.33Å; H439-F695 WeakPolarHBondContact NE2-CA 3.41Å; H439-F695 PolarHBondContact NE2-O 2.93Å; F441-F695 HydrophobicContact CD2-CE2 4.42Å; F441-F695 AromaticContact CD2-CZ 3.83Å; F441-F695 HydrophobicContact CD2-CZ 3.83Å; F441-F695 HydrophobicContact CE2-CE2 4.49Å; F441-F695 HydrophobicContact CE2-CZ 4.22Å; E644-F695 HydrophobicContact CG-CD2 3.58Å; E644-F695 HydrophobicContact CG-CE2 3.75Å; E644-F695 HydrophobicContact CG-CG 4.33Å; E644-F695 WeakPolarHBondContact OE1-CD2 3.39Å; E644-F695 WeakPolarHBondContact OE2-CE2 3.48Å; A645-F695 HydrophobicContact CB-CD1 4.26Å; A645-F695 HydrophobicContact CB-CE1 3.92Å; A645-F695 HydrophobicContact CB-CZ 4.35Å; L665-F695 HydrophobicContact CD1-CB 4.39Å; N691-F695 PolarHBondContact O-N 3.21Å
696	L	85.9	Confident	92.9	Very high	21 Å²	21	27.8 Å²	27.8	11%	0.11	14%	0.14	C	C	.	.	S	Bend	trans	-159.9	114.5	-166	-176.2	64.2	0	0	0	111.7	L665 N691 N692 R700	L665-L696 HydrophobicContact CD1-CB 4.39Å; L665-L696 HydrophobicContact CD1-CD2 4.38Å; L665-L696 HydrophobicContact CD2-CD2 4.1Å; N691-L696 CarbonylContact C-O 3.48Å; N691-L696 PolarHBondContact O-N 2.92Å; N692-L696 WeakPolarHBondContact CA-O 3.36Å; N692-L696 PolarHBondContact N-O 3.17Å; L696-R700 HydrophobicContact CD1-CB 3.63Å; L696-R700 HydrophobicContact CG-CB 4.02Å
697	S	88.1	Confident	92.9	Very high	53 Å²	53	28 Å²	28	37%	0.371	14%	0.141	S	C	.	.			trans	-51.7	141.1	-178.9	59.8	0	0	0	0	113.1	H699 R700 N701	S697-H699 VanDerWaalsContact C-N 3.29Å; S697-H699 PolarHBondContact O-N 3.06Å; S697-H699 VanDerWaalsContact O-N 3.09Å; S697-R700 WeakPolarHBondContact O-CA 3.39Å; S697-R700 WeakPolarHBondContact O-CB 3.37Å; S697-R700 PolarHBondContact O-N 2.99Å; S697-N701 PolarHBondContact O-N 3.1Å
698	Y	92.3	Very high	92.8	Very high	17 Å²	17	29.1 Å²	29.1	7%	0.067	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-51.1	-42.5	-167.2	-158.6	-81.1	0	0	0	113.9	P688 L689 N692 R700 N701 I736 A737 V740 W741	P688-Y698 HydrophobicContact CB-CD2 4.02Å; P688-Y698 HydrophobicContact CB-CE2 3.37Å; L689-Y698 HydrophobicContact CD2-CD2 4.12Å; L689-Y698 HydrophobicContact CD2-CE2 3.77Å; L689-Y698 HydrophobicContact CG-CE2 4.1Å; N692-Y698 HydrophobicContact CB-CD2 4.05Å; N692-Y698 WeakPolarHBondContact OD1-CB 3.19Å; N692-Y698 PolarHBondContact OD1-N 2.88Å; Y698-R700 PolarHBondContact O-N 3.48Å; Y698-N701 WeakPolarHBondContact O-CB 3.5Å; Y698-N701 PolarHBondContact O-N 3.27Å; Y698-I736 HydrophobicContact CE1-CG2 4.2Å; Y698-I736 HydrophobicContact CE2-CG2 4.01Å; Y698-A737 VanDerWaalsContact OH-CA 3.3Å; Y698-A737 WeakPolarHBondContact OH-CA 3.29Å; Y698-A737 PolarHBondContact OH-N 3.18Å; Y698-V740 HydrophobicContact CD1-CB 4.23Å; Y698-V740 HydrophobicContact CD1-CG1 3.77Å; Y698-V740 HydrophobicContact CD1-CG2 4.43Å; Y698-V740 HydrophobicContact CE1-CB 3.94Å; Y698-V740 HydrophobicContact CE1-CG1 3.96Å; Y698-V740 HydrophobicContact CE1-CG2 4.24Å; Y698-W741 AromaticContact CD1-CE2 3.94Å; Y698-W741 AromaticContact CD1-CZ2 3.72Å; Y698-W741 HydrophobicContact CD1-CZ2 3.72Å; Y698-W741 HydrophobicContact CE1-CD2 4.23Å; Y698-W741 AromaticContact CE1-CE2 3.57Å; Y698-W741 AromaticContact CE1-CH2 3.85Å; Y698-W741 HydrophobicContact CE1-CH2 3.85Å; Y698-W741 AromaticContact CE1-CZ2 3.35Å; Y698-W741 HydrophobicContact CE1-CZ2 3.35Å; Y698-W741 HydrophobicContact CE1-CZ3 4.44Å; Y698-W741 AromaticContact CZ-CZ2 3.96Å
699	H	90.8	Very high	92.9	Very high	150 Å²	150	29.7 Å²	29.7	69%	0.694	15%	0.151	S	C	*	.	G	3₁₀ helix	trans	-67.7	-15	177.9	-64.2	-64.3	0	0	0	114.9	S697	S697-H699 VanDerWaalsContact C-N 3.29Å; S697-H699 PolarHBondContact O-N 3.06Å; S697-H699 VanDerWaalsContact O-N 3.09Å
700	R	91.9	Very high	93	Very high	101 Å²	101	29.2 Å²	29.2	38%	0.381	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-99.4	-6.4	175.3	-62.6	-176.3	76.4	-171.9	7.7	112.6	R668 L696 S697 Y698	R668-R700 PolarHBondContact NH1-O 2.91Å; L696-R700 HydrophobicContact CD1-CB 3.63Å; L696-R700 HydrophobicContact CG-CB 4.02Å; S697-R700 WeakPolarHBondContact O-CA 3.39Å; S697-R700 WeakPolarHBondContact O-CB 3.37Å; S697-R700 PolarHBondContact O-N 2.99Å; Y698-R700 PolarHBondContact O-N 3.48Å
701	N	96.4	Very high	93.2	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.021	15%	0.151	C	C	.	.			trans	-60.5	133.5	176.6	-172	-62.6	0	0	0	109.6	M686 N691 S697 Y698 L703 P704 W741	M686-N701 VanDerWaalsContact CE-OD1 3.31Å; M686-N701 WeakPolarHBondContact CE-OD1 3.19Å; N691-N701 PolarHBondContact OD1-ND2 3.39Å; S697-N701 PolarHBondContact O-N 3.1Å; Y698-N701 WeakPolarHBondContact O-CB 3.5Å; Y698-N701 PolarHBondContact O-N 3.27Å; N701-L703 PolarHBondContact O-N 3.19Å; N701-L703 WeakPolarHBondContact OD1-CB 3.08Å; N701-L703 PolarHBondContact OD1-N 3.22Å; N701-P704 WeakPolarHBondContact O-CD 3.18Å; N701-W741 HydrophobicContact CB-CH2 4.45Å; N701-W741 HydrophobicContact CB-CZ2 3.96Å
702	P	97.2	Very high	93.4	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.013	16%	0.156	C	C	.	.	S	Bend	trans	-85.7	1.6	-171.3	35.6	-36.3	0	0	0	114.6	L665 R668 M686 E705 Y706	L665-P702 HydrophobicContact CD2-CG 4.24Å; R668-P702 HydrophobicContact CB-CB 4.39Å; M686-P702 HydrophobicContact CE-CG 3.98Å; P702-E705 WeakPolarHBondContact O-CA 3.03Å; P702-E705 VanDerWaalsContact O-CB 3.3Å; P702-E705 WeakPolarHBondContact O-CB 3.38Å; P702-E705 PolarHBondContact O-N 3.44Å; P702-Y706 HydrophobicContact CB-CD1 4.03Å; P702-Y706 HydrophobicContact CB-CE1 3.52Å; P702-Y706 HydrophobicContact CB-CE2 4.32Å; P702-Y706 HydrophobicContact CG-CE1 3.94Å; P702-Y706 HydrophobicContact CG-CE2 3.92Å; P702-Y706 WeakPolarHBondContact CG-OH 3.31Å; P702-Y706 WeakPolarHBondContact O-CD1 3.24Å; P702-Y706 PolarHBondContact O-N 3.13Å
703	L	98	Very high	93.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-47.7	-52.2	177.2	-171.6	161.9	0	0	0	114.6	M686 P688 N701 E705 Y706 L707 L715 W741 L751	M686-L703 HydrophobicContact CB-CD1 3.93Å; M686-L703 HydrophobicContact CE-CB 4.01Å; M686-L703 HydrophobicContact SD-CB 3.72Å; M686-L703 HydrophobicContact SD-CD1 4.29Å; M686-L703 HydrophobicContact SD-CG 4.01Å; P688-L703 HydrophobicContact CG-CD1 4.04Å; N701-L703 PolarHBondContact O-N 3.19Å; N701-L703 WeakPolarHBondContact OD1-CB 3.08Å; N701-L703 PolarHBondContact OD1-N 3.22Å; L703-E705 PolarHBondContact O-N 2.69Å; L703-Y706 PolarHBondContact O-N 3.42Å; L703-L707 WeakPolarHBondContact O-CB 3.44Å; L703-L707 PolarHBondContact O-N 2.8Å; L703-L715 HydrophobicContact CD1-CD2 3.38Å; L703-L715 HydrophobicContact CD1-CG 3.96Å; L703-W741 HydrophobicContact CB-CH2 4.02Å; L703-W741 HydrophobicContact CB-CZ3 4.1Å; L703-W741 HydrophobicContact CD1-CH2 4.38Å; L703-W741 HydrophobicContact CD1-CZ3 4.1Å; L703-W741 HydrophobicContact CD2-CE3 4.32Å; L703-W741 HydrophobicContact CD2-CZ3 3.83Å; L703-W741 HydrophobicContact CG-CZ3 4.24Å; L703-L751 HydrophobicContact CD2-CD1 4.44Å; L703-L751 HydrophobicContact CD2-CD2 4.26Å
704	P	97.5	Very high	94.3	Very high	40 Å²	40	26.3 Å²	26.3	26%	0.26	13%	0.132	S	C	.	.	H	α-helix	trans	-62.5	-31.2	179.3	24.6	-35.8	0	0	0	112.7	N701 S708 W741	N701-P704 WeakPolarHBondContact O-CD 3.18Å; P704-S708 WeakPolarHBondContact O-CB 3.2Å; P704-S708 PolarHBondContact O-N 3.43Å; P704-W741 HydrophobicContact CB-CB 4.32Å; P704-W741 HydrophobicContact CB-CD2 4.27Å; P704-W741 HydrophobicContact CB-CG 4.18Å; P704-W741 HydrophobicContact CG-CD2 3.88Å; P704-W741 HydrophobicContact CG-CE3 4.4Å; P704-W741 HydrophobicContact CG-CG 3.95Å
705	E	97.3	Very high	95.2	Very high	63 Å²	63	26.1 Å²	26.1	29%	0.294	13%	0.132	S	C	.	.	H	α-helix	trans	-70.2	-46.1	175.6	-168.5	-174.9	177.6	0	0	110.7	P702 L703 S708 R709	P702-E705 WeakPolarHBondContact O-CA 3.03Å; P702-E705 VanDerWaalsContact O-CB 3.3Å; P702-E705 WeakPolarHBondContact O-CB 3.38Å; P702-E705 PolarHBondContact O-N 3.44Å; L703-E705 PolarHBondContact O-N 2.69Å; E705-S708 PolarHBondContact O-N 3.06Å; E705-S708 PolarHBondContact O-OG 2.71Å; E705-R709 VanDerWaalsContact CD-NH1 3.3Å; E705-R709 WeakPolarHBondContact O-CG 3.17Å; E705-R709 PolarHBondContact O-N 2.69Å; E705-R709 VanDerWaalsContact O-N 3.07Å; E705-R709 IonicContact OE1-CZ 2.69Å; E705-R709 IonicContact OE1-NH1 3.04Å; E705-R709 PolarHBondContact OE1-NH1 3.16Å; E705-R709 IonicContact OE1-NH2 2.94Å; E705-R709 PolarHBondContact OE1-NH2 3.05Å
706	Y	98.6	Very high	96.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.1	-44	176.9	-67.7	3	0	0	0	111.6	G664 L665 L667 R668 Q674 I684 M686 P702 L703 S708 R709 G710 L711 V713	G664-Y706 PolarHBondContact O-OH 3.49Å; L665-Y706 PolarHBondContact O-OH 3.07Å; L667-Y706 HydrophobicContact CB-CE2 4.43Å; L667-Y706 WeakPolarHBondContact CB-OH 3.44Å; R668-Y706 PolarHBondContact N-OH 3.44Å; Q674-Y706 HydrophobicContact CG-CE1 4.46Å; Q674-Y706 VanDerWaalsContact NE2-CE1 3.29Å; I684-Y706 HydrophobicContact CD1-CD2 4.26Å; I684-Y706 HydrophobicContact CD1-CE2 4.46Å; M686-Y706 HydrophobicContact CE-CD2 4.39Å; M686-Y706 HydrophobicContact CE-CE2 4.21Å; M686-Y706 HydrophobicContact SD-CD2 3.81Å; M686-Y706 HydrophobicContact SD-CE2 4.14Å; P702-Y706 HydrophobicContact CB-CD1 4.03Å; P702-Y706 HydrophobicContact CB-CE1 3.52Å; P702-Y706 HydrophobicContact CB-CE2 4.32Å; P702-Y706 HydrophobicContact CG-CE1 3.94Å; P702-Y706 HydrophobicContact CG-CE2 3.92Å; P702-Y706 WeakPolarHBondContact CG-OH 3.31Å; P702-Y706 WeakPolarHBondContact O-CD1 3.24Å; P702-Y706 PolarHBondContact O-N 3.13Å; L703-Y706 PolarHBondContact O-N 3.42Å; Y706-S708 VanDerWaalsContact C-N 3.35Å; Y706-S708 PolarHBondContact O-N 3.2Å; Y706-R709 PolarHBondContact O-N 3.28Å; Y706-G710 PolarHBondContact O-N 3.13Å; Y706-G710 VanDerWaalsContact O-N 3.08Å; Y706-L711 HydrophobicContact CD2-CD2 4.46Å; Y706-L711 HydrophobicContact CG-CD2 4.25Å; Y706-L711 PolarHBondContact O-N 3.39Å; Y706-V713 HydrophobicContact CD2-CG1 4Å; Y706-V713 HydrophobicContact CG-CG1 4.38Å
707	L	98.4	Very high	96.6	Very high	4 Å²	4	24 Å²	24	2%	0.021	12%	0.121	C	C	.	.	H	α-helix	trans	-62.7	-40.1	173.9	-177	63.7	0	0	0	111.4	L703 R709 G710 V713 L743 D747 E750 L751 R797	L703-L707 WeakPolarHBondContact O-CB 3.44Å; L703-L707 PolarHBondContact O-N 2.8Å; L707-R709 VanDerWaalsContact C-N 3.28Å; L707-R709 PolarHBondContact O-N 3Å; L707-G710 PolarHBondContact O-N 3.12Å; L707-V713 HydrophobicContact CB-CG2 3.88Å; L707-V713 HydrophobicContact CD1-CG2 4.05Å; L707-L743 HydrophobicContact CD2-CD2 4.33Å; L707-D747 HydrophobicContact CD2-CB 4.22Å; L707-E750 HydrophobicContact CD1-CG 4.31Å; L707-L751 HydrophobicContact CD1-CD2 4.08Å; L707-L751 HydrophobicContact CD1-CG 4.35Å; L707-L751 HydrophobicContact CD2-CD1 4.08Å; L707-L751 HydrophobicContact CD2-CD2 4.12Å; L707-L751 HydrophobicContact CD2-CG 3.98Å; L707-R797 VanDerWaalsContact O-CZ 3.23Å; L707-R797 PolarHBondContact O-NH1 3.15Å; L707-R797 PolarHBondContact O-NH2 3.01Å
708	S	97.4	Very high	97.1	Very high	23 Å²	23	21.7 Å²	21.7	16%	0.161	11%	0.105	C	C	.	.	H	α-helix	trans	-59.5	-42	175.5	80.5	0	0	0	0	111.5	S337 F340 P704 E705 Y706 G710 R797	S337-S708 PolarHBondContact OG-OG 2.93Å; F340-S708 WeakPolarHBondContact CB-O 3.24Å; F340-S708 WeakPolarHBondContact CG-O 3.24Å; P704-S708 WeakPolarHBondContact O-CB 3.2Å; P704-S708 PolarHBondContact O-N 3.43Å; E705-S708 PolarHBondContact O-N 3.06Å; E705-S708 PolarHBondContact O-OG 2.71Å; Y706-S708 VanDerWaalsContact C-N 3.35Å; Y706-S708 PolarHBondContact O-N 3.2Å; S708-G710 VanDerWaalsContact C-N 3.28Å; S708-G710 PolarHBondContact O-N 3.49Å; S708-R797 PolarHBondContact O-NH1 3.49Å
709	R	98.4	Very high	97.3	Very high	13 Å²	13	20.9 Å²	20.9	5%	0.049	10%	0.102	C	C	.	.	H	α-helix	trans	-72.7	-17.8	179.8	-69.5	178.4	175.2	138.8	17.8	113.7	L333 L336 S337 Y678 E705 Y706 L707 L711	L333-R709 PolarHBondContact O-NE 3.07Å; L336-R709 HydrophobicContact CB-CB 4.24Å; L336-R709 HydrophobicContact CB-CG 4.21Å; S337-R709 WeakPolarHBondContact OG-CG 3.49Å; S337-R709 PolarHBondContact OG-NE 2.97Å; Y678-R709 WeakPolarHBondContact CD2-O 3.39Å; Y678-R709 WeakPolarHBondContact CE2-O 3.37Å; E705-R709 VanDerWaalsContact CD-NH1 3.3Å; E705-R709 WeakPolarHBondContact O-CG 3.17Å; E705-R709 PolarHBondContact O-N 2.69Å; E705-R709 VanDerWaalsContact O-N 3.07Å; E705-R709 IonicContact OE1-CZ 2.69Å; E705-R709 IonicContact OE1-NH1 3.04Å; E705-R709 PolarHBondContact OE1-NH1 3.16Å; E705-R709 IonicContact OE1-NH2 2.94Å; E705-R709 PolarHBondContact OE1-NH2 3.05Å; Y706-R709 PolarHBondContact O-N 3.28Å; L707-R709 VanDerWaalsContact C-N 3.28Å; L707-R709 PolarHBondContact O-N 3Å; R709-L711 HydrophobicContact CB-CD1 3.63Å
710	G	98.4	Very high	97.6	Very high	9 Å²	9	13.7 Å²	13.7	9%	0.093	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	28.7	-177.7	0	0	0	0	0	113.6	Y678 Q681 Y706 L707 S708	Y678-G710 WeakPolarHBondContact CD2-O 3.47Å; Q681-G710 PolarHBondContact NE2-O 2.78Å; Y706-G710 PolarHBondContact O-N 3.13Å; Y706-G710 VanDerWaalsContact O-N 3.08Å; L707-G710 PolarHBondContact O-N 3.12Å; S708-G710 VanDerWaalsContact C-N 3.28Å; S708-G710 PolarHBondContact O-N 3.49Å
711	L	98.7	Very high	97.7	Very high	2 Å²	2	8.9 Å²	8.9	1%	0.01	5%	0.05	C	C	.	.			trans	-70.3	147.4	163.7	-77.6	79.1	0	0	0	109.3	Q674 Y678 I684 Y706 R709 V713	Q674-L711 HydrophobicContact CG-CD1 4.39Å; Q674-L711 HydrophobicContact CG-CD2 3.84Å; Y678-L711 HydrophobicContact CD2-CD1 4.45Å; I684-L711 HydrophobicContact CD1-CD2 3.86Å; Y706-L711 HydrophobicContact CD2-CD2 4.46Å; Y706-L711 HydrophobicContact CG-CD2 4.25Å; Y706-L711 PolarHBondContact O-N 3.39Å; R709-L711 HydrophobicContact CB-CD1 3.63Å; L711-V713 VanDerWaalsContact C-N 3.27Å; L711-V713 HydrophobicContact CB-CG1 4.36Å; L711-V713 PolarHBondContact O-N 2.89Å
712	M	98.2	Very high	97.5	Very high	23 Å²	23	8.7 Å²	8.7	11%	0.113	5%	0.049	C	C	.	.			trans	-73.6	75.7	178.1	-173.8	70.9	76.6	0	0	110.8	G683 I684 N754 L757 M758	G683-M712 CarbonylContact C-O 3.57Å; G683-M712 WeakPolarHBondContact CA-O 3.22Å; I684-M712 PolarHBondContact N-O 3.27Å; M712-N754 HydrophobicContact SD-CB 3.7Å; M712-N754 VanDerWaalsContact SD-CG 3.52Å; M712-L757 HydrophobicContact CE-CD1 4.23Å; M712-L757 HydrophobicContact SD-CD1 4.41Å; M712-M758 HydrophobicContact CG-CE 3.92Å; M712-M758 VanDerWaalsContact O-CE 3.24Å; M712-M758 WeakPolarHBondContact O-CE 3.47Å
713	V	98.6	Very high	97.4	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	148.1	178.4	-67.6	0	0	0	0	112.6	I684 M686 Y706 L707 L711 L751 N754	I684-V713 HydrophobicContact CB-CG1 4.23Å; I684-V713 HydrophobicContact CD1-CG1 4.48Å; I684-V713 WeakPolarHBondContact O-CA 3.34Å; M686-V713 HydrophobicContact SD-CG1 4.08Å; Y706-V713 HydrophobicContact CD2-CG1 4Å; Y706-V713 HydrophobicContact CG-CG1 4.38Å; L707-V713 HydrophobicContact CB-CG2 3.88Å; L707-V713 HydrophobicContact CD1-CG2 4.05Å; L711-V713 VanDerWaalsContact C-N 3.27Å; L711-V713 HydrophobicContact CB-CG1 4.36Å; L711-V713 PolarHBondContact O-N 2.89Å; V713-L751 HydrophobicContact CG2-CD2 3.75Å; V713-N754 VanDerWaalsContact O-CB 3.3Å; V713-N754 WeakPolarHBondContact O-CB 3.49Å; V713-N754 PolarHBondContact O-ND2 2.78Å
714	S	98.4	Very high	97.2	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	159.5	166.7	64.8	0	0	0	0	111.2	T371 I684 A685 M686 M758	T371-S714 PolarHBondContact OG1-OG 3.47Å; I684-S714 PolarHBondContact O-N 2.79Å; A685-S714 WeakPolarHBondContact CA-OG 3.49Å; M686-S714 PolarHBondContact N-O 2.77Å; S714-M758 PolarHBondContact OG-SD 2.99Å; S714-M758 VanDerWaalsContact OG-SD 3.33Å
715	L	98.6	Very high	97	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	140.4	166.5	-79	168.8	0	0	0	110.1	M686 P688 L703 Y734 A737 L751	M686-L715 WeakPolarHBondContact O-CA 3.38Å; P688-L715 HydrophobicContact CG-CD2 3.62Å; L703-L715 HydrophobicContact CD1-CD2 3.38Å; L703-L715 HydrophobicContact CD1-CG 3.96Å; L715-Y734 HydrophobicContact CB-CD2 4.24Å; L715-Y734 HydrophobicContact CB-CE2 3.86Å; L715-Y734 HydrophobicContact CD1-CD1 3.71Å; L715-Y734 HydrophobicContact CD1-CD2 4.05Å; L715-Y734 HydrophobicContact CD1-CE1 3.95Å; L715-Y734 HydrophobicContact CD1-CE2 4.25Å; L715-Y734 HydrophobicContact CD1-CG 3.77Å; L715-A737 HydrophobicContact CD1-CB 3.87Å; L715-A737 HydrophobicContact CD2-CB 4.38Å; L715-L751 HydrophobicContact CD1-CD1 3.99Å; L715-L751 HydrophobicContact CG-CD1 4.35Å
716	S	98.3	Very high	96.8	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.074	C	C	.	.			trans	-146.2	166.8	-179.6	50.2	0	0	0	0	111.6	D370 H372 M686 S687	D370-S716 VanDerWaalsContact OD1-CA 3.24Å; D370-S716 WeakPolarHBondContact OD1-CA 3.29Å; D370-S716 WeakPolarHBondContact OD1-CB 3.37Å; H372-S716 WeakPolarHBondContact CB-OG 3.4Å; H372-S716 WeakPolarHBondContact O-CB 3.32Å; M686-S716 PolarHBondContact N-OG 2.96Å; M686-S716 PolarHBondContact O-N 3.43Å; M686-S716 PolarHBondContact O-OG 2.89Å; S687-S716 VanDerWaalsContact CA-O 3.31Å; S687-S716 WeakPolarHBondContact CA-O 3.35Å; S687-S716 WeakPolarHBondContact CB-O 3.47Å; S687-S716 PolarHBondContact OG-O 3.34Å; S687-S716 PolarHBondContact OG-OG 2.76Å
717	T	98.1	Very high	96.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.096	C	C	.	.			trans	-107.6	-17.2	-167.9	65.4	0	0	0	0	116	D370 H372 D719 P720 H724 P729 L730	D370-T717 PolarHBondContact OD1-N 3.4Å; D370-T717 VanDerWaalsContact OD2-CB 3.27Å; D370-T717 WeakPolarHBondContact OD2-CB 3.32Å; D370-T717 WeakPolarHBondContact OD2-CG2 3.38Å; D370-T717 PolarHBondContact OD2-N 2.82Å; D370-T717 PolarHBondContact OD2-OG1 3.18Å; H372-T717 PolarHBondContact O-N 2.73Å; T717-D719 PolarHBondContact O-N 2.83Å; T717-P720 VanDerWaalsContact OG1-CG 3.3Å; T717-P720 WeakPolarHBondContact OG1-CG 3.36Å; T717-H724 PolarHBondContact O-CE1 3.03Å; T717-H724 VanDerWaalsContact O-CE1 3.24Å; T717-P729 HydrophobicContact CG2-CB 3.82Å; T717-L730 VanDerWaalsContact CG2-CA 3.48Å; T717-L730 HydrophobicContact CG2-CB 4.03Å; T717-L730 HydrophobicContact CG2-CD1 4.15Å
718	D	96.9	Very high	96.2	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.021	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	62.3	-87	-178.9	-151.6	5.7	0	0	0	112.8	H372 I373 H374 H663 S690 F723	H372-D718 IonicContact CE1-OD1 3.09Å; H372-D718 PolarHBondContact CE1-OD1 3.45Å; H372-D718 IonicContact ND1-OD1 3.05Å; H372-D718 IonicContact NE2-OD1 3.49Å; H372-D718 WeakPolarHBondContact O-CA 3.09Å; H372-D718 PolarHBondContact O-N 3.3Å; I373-D718 WeakPolarHBondContact CA-O 3.4Å; H374-D718 IonicContact CD2-OD1 2.71Å; H374-D718 PolarHBondContact CD2-OD1 2.79Å; H374-D718 PolarHBondContact N-O 3.29Å; H374-D718 IonicContact NE2-OD1 3.31Å; H374-D718 PolarHBondContact NE2-OD1 3.2Å; H663-D718 IonicContact CE1-OD2 2.86Å; S690-D718 WeakPolarHBondContact CB-OD2 3.18Å; S690-D718 PolarHBondContact OG-OD2 2.85Å; D718-F723 HydrophobicContact CB-CE2 4.41Å
719	D	96.8	Very high	96.1	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.			trans	-125.7	87.3	176	-62.5	-85.7	0	0	0	111.5	H374 S377 F444 Y448 T717 L721 Q722 F723	H374-D719 IonicContact CD2-OD1 2.77Å; H374-D719 IonicContact CD2-OD2 3.61Å; S377-D719 WeakPolarHBondContact CB-OD1 3.36Å; S377-D719 PolarHBondContact OG-OD1 3.3Å; F444-D719 VanDerWaalsContact CZ-OD2 3.24Å; F444-D719 WeakPolarHBondContact CZ-OD2 3.29Å; Y448-D719 WeakPolarHBondContact CE1-OD1 3.43Å; Y448-D719 VanDerWaalsContact CZ-OD1 3.24Å; Y448-D719 VanDerWaalsContact OH-CG 3.28Å; Y448-D719 PolarHBondContact OH-OD1 3.37Å; Y448-D719 PolarHBondContact OH-OD2 3.09Å; T717-D719 PolarHBondContact O-N 2.83Å; D719-L721 PolarHBondContact O-N 2.69Å; D719-L721 VanDerWaalsContact O-N 3.13Å; D719-Q722 HydrophobicContact CB-CB 3.9Å; D719-Q722 HydrophobicContact CB-CG 4.25Å; D719-Q722 PolarHBondContact O-N 3.32Å; D719-F723 HydrophobicContact CB-CD2 3.85Å; D719-F723 HydrophobicContact CB-CE2 3.73Å; D719-F723 VanDerWaalsContact O-CD2 3.26Å; D719-F723 WeakPolarHBondContact O-CD2 3.39Å; D719-F723 PolarHBondContact O-N 3.32Å
720	P	96.7	Very high	96.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-48.3	-37	170.9	-33	37	0	0	0	115.1	I373 S377 T717 Q722 H724 P729	I373-P720 HydrophobicContact CD1-CG 3.92Å; I373-P720 HydrophobicContact CG1-CG 4.35Å; S377-P720 WeakPolarHBondContact O-CB 3.31Å; S377-P720 VanDerWaalsContact O-CD 3.27Å; S377-P720 WeakPolarHBondContact O-CD 3.3Å; T717-P720 VanDerWaalsContact OG1-CG 3.3Å; T717-P720 WeakPolarHBondContact OG1-CG 3.36Å; P720-Q722 VanDerWaalsContact C-N 3.25Å; P720-Q722 PolarHBondContact O-N 3.48Å; P720-H724 HydrophobicContact CB-CB 4.45Å; P720-H724 WeakPolarHBondContact O-CB 3.34Å; P720-H724 PolarHBondContact O-N 2.75Å; P720-H724 VanDerWaalsContact O-N 3.15Å; P720-P729 HydrophobicContact CB-CB 3.81Å; P720-P729 HydrophobicContact CB-CG 3.61Å; P720-P729 HydrophobicContact CG-CB 3.79Å; P720-P729 HydrophobicContact CG-CG 3.94Å
721	L	94.5	Very high	96	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-64.4	-26.6	178	-177.3	64.5	0	0	0	113.1	S377 M379 Q381 L384 M431 I461 D719	S377-L721 WeakPolarHBondContact O-CB 3.39Å; S377-L721 PolarHBondContact O-N 3.22Å; M379-L721 HydrophobicContact CE-CD2 4.14Å; M379-L721 VanDerWaalsContact O-CA 3.29Å; M379-L721 WeakPolarHBondContact O-CA 3.44Å; M379-L721 WeakPolarHBondContact O-CB 3.43Å; M379-L721 WeakPolarHBondContact O-CD1 3.47Å; M379-L721 PolarHBondContact O-N 3.08Å; Q381-L721 HydrophobicContact CB-CD1 4.3Å; Q381-L721 HydrophobicContact CG-CD1 3.7Å; Q381-L721 WeakPolarHBondContact CG-O 3.25Å; Q381-L721 PolarHBondContact NE2-O 2.8Å; L384-L721 HydrophobicContact CB-CD1 4.23Å; L384-L721 HydrophobicContact CD2-CD1 3.87Å; L384-L721 HydrophobicContact CD2-CD2 4.1Å; M431-L721 HydrophobicContact CB-CG 4.4Å; M431-L721 HydrophobicContact CE-CD2 3.54Å; M431-L721 HydrophobicContact CE-CG 4.27Å; M431-L721 HydrophobicContact SD-CD1 4.28Å; M431-L721 HydrophobicContact SD-CD2 4.04Å; M431-L721 HydrophobicContact SD-CG 4.35Å; I461-L721 HydrophobicContact CD1-CD2 4.41Å; D719-L721 PolarHBondContact O-N 2.69Å; D719-L721 VanDerWaalsContact O-N 3.13Å
722	Q	92.6	Very high	95.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-99.9	-29.9	-178	-80.7	83.7	-47.1	0	0	113.3	M431 H432 A433 F444 K447 Y448 D719 P720	M431-Q722 WeakPolarHBondContact O-CG 3.37Å; H432-Q722 PolarHBondContact CE1-O 3Å; H432-Q722 PolarHBondContact ND1-O 2.83Å; H432-Q722 VanDerWaalsContact ND1-O 3.14Å; A433-Q722 HydrophobicContact CB-CB 4.47Å; A433-Q722 PolarHBondContact N-O 3.34Å; F444-Q722 HydrophobicContact CD2-CG 4.42Å; F444-Q722 HydrophobicContact CE2-CB 4.48Å; F444-Q722 HydrophobicContact CE2-CG 4.05Å; K447-Q722 HydrophobicContact CB-CG 4.04Å; Y448-Q722 VanDerWaalsContact CD1-NE2 3.3Å; Y448-Q722 VanDerWaalsContact CZ-NE2 3.28Å; D719-Q722 HydrophobicContact CB-CB 3.9Å; D719-Q722 HydrophobicContact CB-CG 4.25Å; D719-Q722 PolarHBondContact O-N 3.32Å; P720-Q722 VanDerWaalsContact C-N 3.25Å; P720-Q722 PolarHBondContact O-N 3.48Å
723	F	94.1	Very high	95.9	Very high	8 Å²	8	23 Å²	23	4%	0.035	11%	0.11	C	C	.	.	H	α-helix	trans	-121.2	-12.3	-165.5	-52.8	-58.5	0	0	0	115.8	A433 F444 L689 S690 S693 L694 D718 D719	A433-F723 HydrophobicContact CB-CD1 3.64Å; A433-F723 HydrophobicContact CB-CE1 3.37Å; A433-F723 HydrophobicContact CB-CZ 4.48Å; F444-F723 HydrophobicContact CD2-CZ 4.07Å; F444-F723 HydrophobicContact CE2-CE1 4.5Å; F444-F723 HydrophobicContact CE2-CE2 4.08Å; F444-F723 AromaticContact CE2-CZ 3.58Å; F444-F723 HydrophobicContact CE2-CZ 3.58Å; F444-F723 HydrophobicContact CZ-CZ 4.44Å; L689-F723 HydrophobicContact CB-CB 4.4Å; S690-F723 VanDerWaalsContact OG-CE2 3.25Å; S690-F723 WeakPolarHBondContact OG-CE2 3.34Å; S690-F723 WeakPolarHBondContact OG-CZ 3.41Å; S693-F723 VanDerWaalsContact CB-CE1 3.48Å; L694-F723 HydrophobicContact CD1-CZ 4.02Å; L694-F723 HydrophobicContact CD2-CZ 4.47Å; L694-F723 HydrophobicContact CG-CE1 4.33Å; L694-F723 HydrophobicContact CG-CZ 4.07Å; D718-F723 HydrophobicContact CB-CE2 4.41Å; D719-F723 HydrophobicContact CB-CD2 3.85Å; D719-F723 HydrophobicContact CB-CE2 3.73Å; D719-F723 VanDerWaalsContact O-CD2 3.26Å; D719-F723 WeakPolarHBondContact O-CD2 3.39Å; D719-F723 PolarHBondContact O-N 3.32Å
724	H	95.5	Very high	95.9	Very high	3 Å²	3	23 Å²	23	1%	0.014	11%	0.11	C	C	.	.			trans	-122.9	144.3	-168	-65.4	74.6	0	0	0	113.4	T717 P720 P729 E732 E733	T717-H724 PolarHBondContact O-CE1 3.03Å; T717-H724 VanDerWaalsContact O-CE1 3.24Å; P720-H724 HydrophobicContact CB-CB 4.45Å; P720-H724 WeakPolarHBondContact O-CB 3.34Å; P720-H724 PolarHBondContact O-N 2.75Å; P720-H724 VanDerWaalsContact O-N 3.15Å; H724-P729 HydrophobicContact CB-CB 4.05Å; H724-P729 PolarHBondContact CD2-O 3.31Å; H724-P729 VanDerWaalsContact CD2-O 3.23Å; H724-P729 PolarHBondContact NE2-O 2.67Å; H724-E732 WeakPolarHBondContact CB-OE2 3.29Å; H724-E732 IonicContact CD2-OE2 2.91Å; H724-E733 WeakPolarHBondContact NE2-CG 3.44Å
725	F	92.5	Very high	95.9	Very high	156 Å²	156	26 Å²	26	68%	0.684	13%	0.13	S	C	*	.			trans	-106.8	-20.3	-177.7	-64.4	-78.3	0	0	0	114.2	H432 E732	H432-F725 AromaticContact CD2-CE1 3.73Å; H432-F725 AromaticContact CD2-CZ 3.87Å; H432-F725 AromaticContact CE1-CE2 3.97Å; H432-F725 AromaticContact CE1-CZ 3.56Å; H432-F725 AromaticContact NE2-CE1 3.42Å; H432-F725 WeakPolarHBondContact NE2-CE1 3.35Å; H432-F725 AromaticContact NE2-CE2 3.65Å; H432-F725 AromaticContact NE2-CZ 3.17Å; H432-F725 WeakPolarHBondContact NE2-CZ 3.47Å; F725-E732 PolarHBondContact N-OE1 3.02Å; F725-E732 VanDerWaalsContact N-OE1 3.07Å; F725-E732 PolarHBondContact N-OE2 2.92Å; F725-E732 VanDerWaalsContact N-OE2 3.08Å
726	T	93.3	Very high	95.8	Very high	56 Å²	56	28.6 Å²	28.6	34%	0.344	14%	0.144	S	C	.	.	S	Bend	trans	-89.9	170.5	-172.5	68.4	0	0	0	0	113.7	N380 E728 E732	N380-T726 PolarHBondContact ND2-O 3.46Å; T726-E728 VanDerWaalsContact C-N 3.26Å; T726-E728 PolarHBondContact OG1-N 3.42Å; T726-E728 PolarHBondContact OG1-O 3.05Å; T726-E732 VanDerWaalsContact CB-OE2 3.26Å; T726-E732 WeakPolarHBondContact CB-OE2 3.49Å; T726-E732 HydrophobicContact CG2-CB 4.04Å; T726-E732 HydrophobicContact CG2-CG 4.13Å; T726-E732 VanDerWaalsContact CG2-OE2 3.27Å; T726-E732 WeakPolarHBondContact CG2-OE2 3.4Å; T726-E732 PolarHBondContact N-OE2 3.36Å; T726-E732 WeakPolarHBondContact OG1-CB 3.36Å; T726-E732 PolarHBondContact OG1-OE2 3.44Å
727	K	90.1	Very high	95.8	Very high	107 Å²	107	28.6 Å²	28.6	47%	0.465	14%	0.144	S	C	.	.	S	Bend	trans	-72.5	-19.6	172.1	-160.6	-154	170.8	-163.9	0	112.1	D482 E485 P729	D482-K727 WeakPolarHBondContact OD1-CE 3.49Å; D482-K727 IonicContact OD1-NZ 3.01Å; D482-K727 PolarHBondContact OD1-NZ 2.92Å; D482-K727 WeakPolarHBondContact OD2-CE 3.31Å; D482-K727 IonicContact OD2-NZ 2.7Å; E485-K727 IonicContact OE2-NZ 2.65Å; E485-K727 PolarHBondContact OE2-NZ 3.21Å; E485-K727 VanDerWaalsContact OE2-NZ 3.1Å; K727-P729 WeakPolarHBondContact O-CD 3.43Å
728	E	93.3	Very high	95.7	Very high	82 Å²	82	29.1 Å²	29.1	38%	0.383	15%	0.148	S	C	.	.			trans	-126.2	77.6	-172.9	-64.6	-179.6	92.3	0	0	109.3	S486 Q489 T726 L730 M731 E732	S486-E728 PolarHBondContact OG-OE1 2.91Å; Q489-E728 PolarHBondContact NE2-OE1 2.93Å; T726-E728 VanDerWaalsContact C-N 3.26Å; T726-E728 PolarHBondContact OG1-N 3.42Å; T726-E728 PolarHBondContact OG1-O 3.05Å; E728-L730 VanDerWaalsContact C-N 3.31Å; E728-L730 PolarHBondContact O-N 2.65Å; E728-M731 HydrophobicContact CB-CB 3.96Å; E728-M731 HydrophobicContact CB-CG 4.09Å; E728-M731 WeakPolarHBondContact O-CB 3.41Å; E728-M731 PolarHBondContact O-N 3.39Å; E728-E732 PolarHBondContact O-N 2.95Å; E728-E732 VanDerWaalsContact O-N 3.11Å
729	P	96.3	Very high	95.7	Very high	20 Å²	20	35.5 Å²	35.5	13%	0.13	18%	0.178	C	C	.	.	H	α-helix	trans	-55.9	-41.9	-169	-27.2	36.4	0	0	0	113.4	T717 P720 H724 K727 M731 E732 E733	T717-P729 HydrophobicContact CG2-CB 3.82Å; P720-P729 HydrophobicContact CB-CB 3.81Å; P720-P729 HydrophobicContact CB-CG 3.61Å; P720-P729 HydrophobicContact CG-CB 3.79Å; P720-P729 HydrophobicContact CG-CG 3.94Å; H724-P729 HydrophobicContact CB-CB 4.05Å; H724-P729 PolarHBondContact CD2-O 3.31Å; H724-P729 VanDerWaalsContact CD2-O 3.23Å; H724-P729 PolarHBondContact NE2-O 2.67Å; K727-P729 WeakPolarHBondContact O-CD 3.43Å; P729-M731 VanDerWaalsContact C-N 3.32Å; P729-M731 PolarHBondContact O-N 2.95Å; P729-E732 WeakPolarHBondContact O-CB 3.48Å; P729-E732 PolarHBondContact O-N 3.36Å; P729-E732 VanDerWaalsContact O-N 3.11Å; P729-E733 PolarHBondContact O-N 3.39Å; P729-E733 VanDerWaalsContact O-N 3.09Å
730	L	97.4	Very high	95.7	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.031	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-41.3	177.8	-172.6	66.1	0	0	0	111.3	K368 D370 T717 E728 E732 E733 Y734	K368-L730 HydrophobicContact CB-CD2 4.45Å; K368-L730 HydrophobicContact CD-CD2 4.12Å; K368-L730 HydrophobicContact CG-CD2 4.11Å; D370-L730 HydrophobicContact CB-CD1 4.15Å; D370-L730 HydrophobicContact CB-CD2 4.17Å; T717-L730 VanDerWaalsContact CG2-CA 3.48Å; T717-L730 HydrophobicContact CG2-CB 4.03Å; T717-L730 HydrophobicContact CG2-CD1 4.15Å; E728-L730 VanDerWaalsContact C-N 3.31Å; E728-L730 PolarHBondContact O-N 2.65Å; L730-E732 VanDerWaalsContact C-N 3.28Å; L730-E732 PolarHBondContact O-N 3.33Å; L730-E733 PolarHBondContact O-N 3.35Å; L730-Y734 HydrophobicContact CD1-CD2 4.21Å; L730-Y734 HydrophobicContact CD1-CE2 3.9Å; L730-Y734 HydrophobicContact CD2-CE2 4.37Å; L730-Y734 HydrophobicContact CG-CD2 4.03Å; L730-Y734 HydrophobicContact CG-CE2 3.91Å; L730-Y734 WeakPolarHBondContact O-CD2 3.47Å; L730-Y734 PolarHBondContact O-N 3.11Å
731	M	96.8	Very high	95.7	Very high	21 Å²	21	39.9 Å²	39.9	10%	0.103	20%	0.2	C	C	.	.	H	α-helix	trans	-68.6	-27	177.7	-64.4	-61.4	-64.5	0	0	112.6	F363 Y364 K368 E728 P729 S735	F363-M731 HydrophobicContact CD1-CE 4.28Å; F363-M731 HydrophobicContact CE1-CE 3.57Å; F363-M731 HydrophobicContact CE1-SD 4.27Å; F363-M731 HydrophobicContact CZ-CE 4.29Å; F363-M731 HydrophobicContact CZ-SD 4.42Å; Y364-M731 HydrophobicContact CD1-CE 3.71Å; Y364-M731 HydrophobicContact CE1-CE 3.85Å; K368-M731 HydrophobicContact CD-SD 3.89Å; E728-M731 HydrophobicContact CB-CB 3.96Å; E728-M731 HydrophobicContact CB-CG 4.09Å; E728-M731 WeakPolarHBondContact O-CB 3.41Å; E728-M731 PolarHBondContact O-N 3.39Å; P729-M731 VanDerWaalsContact C-N 3.32Å; P729-M731 PolarHBondContact O-N 2.95Å; M731-S735 WeakPolarHBondContact O-CB 3.25Å; M731-S735 PolarHBondContact O-N 3.16Å; M731-S735 PolarHBondContact O-OG 3.46Å
732	E	97.5	Very high	95.7	Very high	20 Å²	20	47.2 Å²	47.2	9%	0.093	23%	0.232	C	C	.	.	H	α-helix	trans	-68.1	-44.5	171	172.9	172	-163.1	0	0	111.6	L689 H724 F725 T726 E728 P729 L730 S735 I736	L689-E732 HydrophobicContact CD1-CG 4.45Å; H724-E732 WeakPolarHBondContact CB-OE2 3.29Å; H724-E732 IonicContact CD2-OE2 2.91Å; F725-E732 PolarHBondContact N-OE1 3.02Å; F725-E732 VanDerWaalsContact N-OE1 3.07Å; F725-E732 PolarHBondContact N-OE2 2.92Å; F725-E732 VanDerWaalsContact N-OE2 3.08Å; T726-E732 VanDerWaalsContact CB-OE2 3.26Å; T726-E732 WeakPolarHBondContact CB-OE2 3.49Å; T726-E732 HydrophobicContact CG2-CB 4.04Å; T726-E732 HydrophobicContact CG2-CG 4.13Å; T726-E732 VanDerWaalsContact CG2-OE2 3.27Å; T726-E732 WeakPolarHBondContact CG2-OE2 3.4Å; T726-E732 PolarHBondContact N-OE2 3.36Å; T726-E732 WeakPolarHBondContact OG1-CB 3.36Å; T726-E732 PolarHBondContact OG1-OE2 3.44Å; E728-E732 PolarHBondContact O-N 2.95Å; E728-E732 VanDerWaalsContact O-N 3.11Å; P729-E732 WeakPolarHBondContact O-CB 3.48Å; P729-E732 PolarHBondContact O-N 3.36Å; P729-E732 VanDerWaalsContact O-N 3.11Å; L730-E732 VanDerWaalsContact C-N 3.28Å; L730-E732 PolarHBondContact O-N 3.33Å; E732-S735 PolarHBondContact O-N 2.89Å; E732-I736 HydrophobicContact CG-CD1 3.89Å; E732-I736 WeakPolarHBondContact O-CB 3.41Å; E732-I736 WeakPolarHBondContact O-CG1 3.34Å; E732-I736 PolarHBondContact O-N 2.67Å
733	E	98	Very high	95.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-57.9	-53	171.5	-87.8	-74.8	-164.4	0	0	112.3	P688 L689 H724 P729 L730 S735 I736 A737	P688-E733 WeakPolarHBondContact CD-OE1 3.27Å; L689-E733 VanDerWaalsContact CB-OE1 3.24Å; L689-E733 WeakPolarHBondContact CB-OE1 3.49Å; L689-E733 HydrophobicContact CD1-CG 3.91Å; L689-E733 HydrophobicContact CG-CG 4.35Å; L689-E733 VanDerWaalsContact CG-OE1 3.3Å; L689-E733 WeakPolarHBondContact CG-OE1 3.4Å; L689-E733 PolarHBondContact N-OE1 3.23Å; H724-E733 WeakPolarHBondContact NE2-CG 3.44Å; P729-E733 PolarHBondContact O-N 3.39Å; P729-E733 VanDerWaalsContact O-N 3.09Å; L730-E733 PolarHBondContact O-N 3.35Å; E733-S735 VanDerWaalsContact C-N 3.28Å; E733-S735 PolarHBondContact O-N 3.47Å; E733-I736 PolarHBondContact O-N 3.4Å; E733-A737 WeakPolarHBondContact O-CB 3.45Å; E733-A737 PolarHBondContact O-N 2.97Å
734	Y	98.3	Very high	96.1	Very high	1 Å²	1	49.1 Å²	49.1	0%	0.004	25%	0.245	C	C	.	.	H	α-helix	trans	-58.1	-40.6	177	-85.4	-91.5	0	0	0	112.2	F363 K368 L715 L730 A738 M748 L751 A752	F363-Y734 AromaticContact CE2-CD1 3.54Å; F363-Y734 HydrophobicContact CE2-CD1 3.54Å; F363-Y734 AromaticContact CE2-CE1 3.79Å; F363-Y734 HydrophobicContact CE2-CE1 3.79Å; F363-Y734 HydrophobicContact CE2-CG 4.17Å; F363-Y734 AromaticContact CZ-CD1 3.36Å; F363-Y734 HydrophobicContact CZ-CD1 3.36Å; F363-Y734 HydrophobicContact CZ-CD2 4.3Å; F363-Y734 HydrophobicContact CZ-CE1 4.02Å; F363-Y734 AromaticContact CZ-CG 3.53Å; F363-Y734 HydrophobicContact CZ-CG 3.53Å; K368-Y734 HydrophobicContact CD-CD2 4.48Å; K368-Y734 HydrophobicContact CD-CE2 4.17Å; L715-Y734 HydrophobicContact CB-CD2 4.24Å; L715-Y734 HydrophobicContact CB-CE2 3.86Å; L715-Y734 HydrophobicContact CD1-CD1 3.71Å; L715-Y734 HydrophobicContact CD1-CD2 4.05Å; L715-Y734 HydrophobicContact CD1-CE1 3.95Å; L715-Y734 HydrophobicContact CD1-CE2 4.25Å; L715-Y734 HydrophobicContact CD1-CG 3.77Å; L730-Y734 HydrophobicContact CD1-CD2 4.21Å; L730-Y734 HydrophobicContact CD1-CE2 3.9Å; L730-Y734 HydrophobicContact CD2-CE2 4.37Å; L730-Y734 HydrophobicContact CG-CD2 4.03Å; L730-Y734 HydrophobicContact CG-CE2 3.91Å; L730-Y734 WeakPolarHBondContact O-CD2 3.47Å; L730-Y734 PolarHBondContact O-N 3.11Å; Y734-A738 VanDerWaalsContact O-CB 3.25Å; Y734-A738 WeakPolarHBondContact O-CB 3.29Å; Y734-A738 PolarHBondContact O-N 2.85Å; Y734-M748 HydrophobicContact CD1-CB 4.41Å; Y734-L751 HydrophobicContact CE1-CB 3.83Å; Y734-L751 PolarHBondContact OH-O 3.19Å; Y734-A752 WeakPolarHBondContact OH-CA 3.44Å; Y734-A752 PolarHBondContact OH-N 2.89Å
735	S	97.4	Very high	96.1	Very high	61 Å²	61	51 Å²	51	43%	0.427	26%	0.258	S	S	.	.	H	α-helix	trans	-66.1	-43.4	179.2	-63.9	0	0	0	0	112.2	M731 E732 E733 Q739	M731-S735 WeakPolarHBondContact O-CB 3.25Å; M731-S735 PolarHBondContact O-N 3.16Å; M731-S735 PolarHBondContact O-OG 3.46Å; E732-S735 PolarHBondContact O-N 2.89Å; E733-S735 VanDerWaalsContact C-N 3.28Å; E733-S735 PolarHBondContact O-N 3.47Å; S735-Q739 WeakPolarHBondContact O-CB 3.46Å; S735-Q739 VanDerWaalsContact O-CG 3.28Å; S735-Q739 WeakPolarHBondContact O-CG 3.28Å; S735-Q739 PolarHBondContact O-N 2.98Å; S735-Q739 VanDerWaalsContact O-N 3.07Å
736	I	97.3	Very high	96.3	Very high	55 Å²	55	43.8 Å²	43.8	28%	0.282	23%	0.227	S	C	.	.	H	α-helix	trans	-71	-44.7	179.5	-66.4	170.9	0	0	0	110.1	L689 Y698 E732 E733 A738 Q739 V740	L689-I736 HydrophobicContact CD1-CD1 4.05Å; L689-I736 HydrophobicContact CD2-CD1 4Å; L689-I736 HydrophobicContact CD2-CG2 4.42Å; Y698-I736 HydrophobicContact CE1-CG2 4.2Å; Y698-I736 HydrophobicContact CE2-CG2 4.01Å; E732-I736 HydrophobicContact CG-CD1 3.89Å; E732-I736 WeakPolarHBondContact O-CB 3.41Å; E732-I736 WeakPolarHBondContact O-CG1 3.34Å; E732-I736 PolarHBondContact O-N 2.67Å; E733-I736 PolarHBondContact O-N 3.4Å; I736-A738 VanDerWaalsContact C-N 3.35Å; I736-A738 PolarHBondContact O-N 2.75Å; I736-Q739 PolarHBondContact O-N 3.43Å; I736-V740 HydrophobicContact CG2-CG2 3.97Å; I736-V740 WeakPolarHBondContact O-CB 3.47Å; I736-V740 VanDerWaalsContact O-CG2 3.3Å; I736-V740 WeakPolarHBondContact O-CG2 3.34Å; I736-V740 PolarHBondContact O-N 2.99Å
737	A	97.5	Very high	96.6	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-56	-47.8	175.9	0	0	0	0	0	111.6	Y698 L715 E733 V740 W741 L743	Y698-A737 VanDerWaalsContact OH-CA 3.3Å; Y698-A737 WeakPolarHBondContact OH-CA 3.29Å; Y698-A737 PolarHBondContact OH-N 3.18Å; L715-A737 HydrophobicContact CD1-CB 3.87Å; L715-A737 HydrophobicContact CD2-CB 4.38Å; E733-A737 WeakPolarHBondContact O-CB 3.45Å; E733-A737 PolarHBondContact O-N 2.97Å; A737-V740 PolarHBondContact O-N 3.31Å; A737-W741 HydrophobicContact CB-CE3 3.69Å; A737-W741 HydrophobicContact CB-CZ3 3.65Å; A737-W741 WeakPolarHBondContact O-CB 3.26Å; A737-W741 PolarHBondContact O-N 3.28Å; A737-L743 HydrophobicContact CB-CD1 4.08Å
738	A	97	Very high	97	Very high	12 Å²	12	38.3 Å²	38.3	10%	0.099	20%	0.2	C	C	.	.	H	α-helix	trans	-63.2	-42.9	177.2	0	0	0	0	0	112.8	Y734 I736 K742 L743 M748	Y734-A738 VanDerWaalsContact O-CB 3.25Å; Y734-A738 WeakPolarHBondContact O-CB 3.29Å; Y734-A738 PolarHBondContact O-N 2.85Å; I736-A738 VanDerWaalsContact C-N 3.35Å; I736-A738 PolarHBondContact O-N 2.75Å; A738-K742 WeakPolarHBondContact O-CA 3.13Å; A738-K742 PolarHBondContact O-N 3.01Å; A738-L743 HydrophobicContact CB-CB 4.33Å; A738-L743 PolarHBondContact O-N 2.93Å; A738-M748 HydrophobicContact CB-CG 4.28Å; A738-M748 HydrophobicContact CB-SD 3.59Å; A738-M748 VanDerWaalsContact CB-SD 3.59Å
739	Q	96.5	Very high	97.2	Very high	137 Å²	137	34.4 Å²	34.4	64%	0.64	18%	0.181	S	C	*	.	H	α-helix	trans	-72.7	-32.9	179.7	-68.5	-57.6	-31.2	0	0	113.5	S735 I736 K742	S735-Q739 WeakPolarHBondContact O-CB 3.46Å; S735-Q739 VanDerWaalsContact O-CG 3.28Å; S735-Q739 WeakPolarHBondContact O-CG 3.28Å; S735-Q739 PolarHBondContact O-N 2.98Å; S735-Q739 VanDerWaalsContact O-N 3.07Å; I736-Q739 PolarHBondContact O-N 3.43Å; Q739-K742 WeakPolarHBondContact O-CE 3.48Å; Q739-K742 PolarHBondContact O-NZ 3.33Å
740	V	96.2	Very high	97.3	Very high	51 Å²	51	34.1 Å²	34.1	31%	0.309	18%	0.178	S	C	.	.	H	α-helix	trans	-84.6	-46	-177.6	175.7	0	0	0	0	111.9	Y698 I736 A737	Y698-V740 HydrophobicContact CD1-CB 4.23Å; Y698-V740 HydrophobicContact CD1-CG1 3.77Å; Y698-V740 HydrophobicContact CD1-CG2 4.43Å; Y698-V740 HydrophobicContact CE1-CB 3.94Å; Y698-V740 HydrophobicContact CE1-CG1 3.96Å; Y698-V740 HydrophobicContact CE1-CG2 4.24Å; I736-V740 HydrophobicContact CG2-CG2 3.97Å; I736-V740 WeakPolarHBondContact O-CB 3.47Å; I736-V740 VanDerWaalsContact O-CG2 3.3Å; I736-V740 WeakPolarHBondContact O-CG2 3.34Å; I736-V740 PolarHBondContact O-N 2.99Å; A737-V740 PolarHBondContact O-N 3.31Å
741	W	97.2	Very high	97.4	Very high	42 Å²	42	33.8 Å²	33.8	16%	0.159	18%	0.177	C	C	.	.	H	α-helix	trans	-96.3	-1.6	-177.6	-56.6	-41.9	0	0	0	114.4	P688 Y698 N701 L703 P704 A737 L743	P688-W741 HydrophobicContact CB-CH2 3.77Å; P688-W741 HydrophobicContact CB-CZ2 4.39Å; P688-W741 HydrophobicContact CG-CH2 3.56Å; P688-W741 HydrophobicContact CG-CZ3 4.2Å; Y698-W741 AromaticContact CD1-CE2 3.94Å; Y698-W741 AromaticContact CD1-CZ2 3.72Å; Y698-W741 HydrophobicContact CD1-CZ2 3.72Å; Y698-W741 HydrophobicContact CE1-CD2 4.23Å; Y698-W741 AromaticContact CE1-CE2 3.57Å; Y698-W741 AromaticContact CE1-CH2 3.85Å; Y698-W741 HydrophobicContact CE1-CH2 3.85Å; Y698-W741 AromaticContact CE1-CZ2 3.35Å; Y698-W741 HydrophobicContact CE1-CZ2 3.35Å; Y698-W741 HydrophobicContact CE1-CZ3 4.44Å; Y698-W741 AromaticContact CZ-CZ2 3.96Å; N701-W741 HydrophobicContact CB-CH2 4.45Å; N701-W741 HydrophobicContact CB-CZ2 3.96Å; L703-W741 HydrophobicContact CB-CH2 4.02Å; L703-W741 HydrophobicContact CB-CZ3 4.1Å; L703-W741 HydrophobicContact CD1-CH2 4.38Å; L703-W741 HydrophobicContact CD1-CZ3 4.1Å; L703-W741 HydrophobicContact CD2-CE3 4.32Å; L703-W741 HydrophobicContact CD2-CZ3 3.83Å; L703-W741 HydrophobicContact CG-CZ3 4.24Å; P704-W741 HydrophobicContact CB-CB 4.32Å; P704-W741 HydrophobicContact CB-CD2 4.27Å; P704-W741 HydrophobicContact CB-CG 4.18Å; P704-W741 HydrophobicContact CG-CD2 3.88Å; P704-W741 HydrophobicContact CG-CE3 4.4Å; P704-W741 HydrophobicContact CG-CG 3.95Å; A737-W741 HydrophobicContact CB-CE3 3.69Å; A737-W741 HydrophobicContact CB-CZ3 3.65Å; A737-W741 WeakPolarHBondContact O-CB 3.26Å; A737-W741 PolarHBondContact O-N 3.28Å; W741-L743 VanDerWaalsContact C-N 3.33Å; W741-L743 HydrophobicContact CB-CD2 4.2Å; W741-L743 HydrophobicContact CB-CG 4.27Å; W741-L743 HydrophobicContact CE3-CD1 4.36Å; W741-L743 PolarHBondContact O-N 3.16Å
742	K	95.9	Very high	97.4	Very high	153 Å²	153	32.8 Å²	32.8	67%	0.665	17%	0.172	S	C	*	.			trans	62	37.5	179.4	-50.5	-52.9	-178.4	-167.3	0	113.4	A738 Q739 S744	A738-K742 WeakPolarHBondContact O-CA 3.13Å; A738-K742 PolarHBondContact O-N 3.01Å; Q739-K742 WeakPolarHBondContact O-CE 3.48Å; Q739-K742 PolarHBondContact O-NZ 3.33Å; K742-S744 PolarHBondContact O-N 3.45Å
743	L	96.5	Very high	97.5	Very high	23 Å²	23	33.2 Å²	33.2	12%	0.12	17%	0.173	C	C	.	.			trans	-61.6	133.1	174.1	-54.2	-178.3	0	0	0	110.5	L707 A737 A738 W741 D747 M748 L751	L707-L743 HydrophobicContact CD2-CD2 4.33Å; A737-L743 HydrophobicContact CB-CD1 4.08Å; A738-L743 HydrophobicContact CB-CB 4.33Å; A738-L743 PolarHBondContact O-N 2.93Å; W741-L743 VanDerWaalsContact C-N 3.33Å; W741-L743 HydrophobicContact CB-CD2 4.2Å; W741-L743 HydrophobicContact CB-CG 4.27Å; W741-L743 HydrophobicContact CE3-CD1 4.36Å; W741-L743 PolarHBondContact O-N 3.16Å; L743-D747 HydrophobicContact CB-CB 4.04Å; L743-D747 HydrophobicContact CD2-CB 4.36Å; L743-M748 HydrophobicContact CB-CG 4.29Å; L743-L751 HydrophobicContact CD1-CD1 3.83Å
744	S	96.6	Very high	97.5	Very high	26 Å²	26	33.8 Å²	33.8	18%	0.182	18%	0.176	C	C	.	.			trans	-74	169.3	173.8	71.5	0	0	0	0	111.6	K742 C746 D747 M748	K742-S744 PolarHBondContact O-N 3.45Å; S744-C746 PolarHBondContact O-N 3.25Å; S744-C746 PolarHBondContact OG-N 3.46Å; S744-D747 VanDerWaalsContact CB-OD2 3.28Å; S744-D747 WeakPolarHBondContact CB-OD2 3.4Å; S744-D747 PolarHBondContact N-OD2 3.46Å; S744-D747 PolarHBondContact O-N 3.1Å; S744-D747 PolarHBondContact OG-N 3.14Å; S744-D747 VanDerWaalsContact OG-N 3.12Å; S744-D747 PolarHBondContact OG-OD1 3.13Å; S744-D747 PolarHBondContact OG-OD2 2.97Å; S744-M748 WeakPolarHBondContact O-CG 3.35Å; S744-M748 PolarHBondContact O-N 3.5Å
745	S	96	Very high	97.5	Very high	43 Å²	43	33.7 Å²	33.7	30%	0.301	18%	0.175	S	C	.	.	H	α-helix	trans	-58	-34.7	169.1	178.5	0	0	0	0	111.9	Q355 C749	Q355-S745 PolarHBondContact NE2-O 3.23Å; Q355-S745 PolarHBondContact OE1-OG 3.49Å; S745-C749 WeakPolarHBondContact O-CB 3.42Å; S745-C749 PolarHBondContact O-N 2.93Å; S745-C749 PolarHBondContact O-SG 3.19Å
746	C	97.5	Very high	97.6	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.02	16%	0.155	C	C	.	.	H	α-helix	trans	-64.4	-46.1	175.1	-175.4	0	0	0	0	111.6	S744 M748 C749 E750 P790 R793	S744-C746 PolarHBondContact O-N 3.25Å; S744-C746 PolarHBondContact OG-N 3.46Å; C746-M748 PolarHBondContact O-N 2.75Å; C746-C749 PolarHBondContact O-N 3.46Å; C746-E750 WeakPolarHBondContact O-CB 3.32Å; C746-E750 PolarHBondContact O-N 3.22Å; C746-P790 VanDerWaalsContact SG-CD 3.54Å; C746-R793 PolarHBondContact SG-NH2 3.09Å; C746-R793 VanDerWaalsContact SG-NH2 3.42Å
747	D	98.4	Very high	97.5	Very high	18 Å²	18	30 Å²	30	10%	0.096	15%	0.151	C	C	.	.	H	α-helix	trans	-65.7	-40.5	-178.9	-51.3	-40.6	0	0	0	111.8	L707 L743 S744 C749 E750 L751 R793	L707-D747 HydrophobicContact CD2-CB 4.22Å; L743-D747 HydrophobicContact CB-CB 4.04Å; L743-D747 HydrophobicContact CD2-CB 4.36Å; S744-D747 VanDerWaalsContact CB-OD2 3.28Å; S744-D747 WeakPolarHBondContact CB-OD2 3.4Å; S744-D747 PolarHBondContact N-OD2 3.46Å; S744-D747 PolarHBondContact O-N 3.1Å; S744-D747 PolarHBondContact OG-N 3.14Å; S744-D747 VanDerWaalsContact OG-N 3.12Å; S744-D747 PolarHBondContact OG-OD1 3.13Å; S744-D747 PolarHBondContact OG-OD2 2.97Å; D747-C749 VanDerWaalsContact C-N 3.32Å; D747-C749 PolarHBondContact O-N 2.98Å; D747-E750 PolarHBondContact O-N 2.81Å; D747-L751 WeakPolarHBondContact O-CG 3.42Å; D747-L751 PolarHBondContact O-N 2.8Å; D747-R793 IonicContact OD1-CZ 3.68Å; D747-R793 IonicContact OD1-NH1 2.94Å; D747-R793 PolarHBondContact OD1-NH1 2.76Å; D747-R793 IonicContact OD1-NH2 3.79Å; D747-R793 PolarHBondContact OD1-NH2 3.03Å
748	M	98.3	Very high	97.4	Very high	30 Å²	30	30.6 Å²	30.6	15%	0.148	15%	0.154	C	C	.	.	H	α-helix	trans	-64.7	-35.5	174	-68.2	-168.9	-65.6	0	0	112.5	F363 Y734 A738 L743 S744 C746 A752	F363-M748 HydrophobicContact CB-CE 4.49Å; F363-M748 HydrophobicContact CD1-CE 4.3Å; F363-M748 HydrophobicContact CD1-SD 4.28Å; F363-M748 HydrophobicContact CD2-CB 3.58Å; F363-M748 HydrophobicContact CE1-SD 4.23Å; F363-M748 HydrophobicContact CE2-CB 3.66Å; F363-M748 HydrophobicContact CG-CB 4.24Å; F363-M748 HydrophobicContact CG-CE 4.2Å; F363-M748 HydrophobicContact CG-SD 4.43Å; F363-M748 HydrophobicContact CZ-CB 4.37Å; F363-M748 HydrophobicContact CZ-SD 4.36Å; Y734-M748 HydrophobicContact CD1-CB 4.41Å; A738-M748 HydrophobicContact CB-CG 4.28Å; A738-M748 HydrophobicContact CB-SD 3.59Å; A738-M748 VanDerWaalsContact CB-SD 3.59Å; L743-M748 HydrophobicContact CB-CG 4.29Å; S744-M748 WeakPolarHBondContact O-CG 3.35Å; S744-M748 PolarHBondContact O-N 3.5Å; C746-M748 PolarHBondContact O-N 2.75Å; M748-A752 WeakPolarHBondContact O-CB 3.3Å; M748-A752 PolarHBondContact O-N 3.5Å; M748-A752 VanDerWaalsContact O-N 3.14Å
749	C	98.4	Very high	97.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-73.2	-34.5	174.9	-62.7	0	0	0	0	111.9	I366 S745 C746 D747 A752 R753 N788 V789	I366-C749 HydrophobicContact CD1-CB 3.7Å; I366-C749 VanDerWaalsContact CD1-SG 3.51Å; S745-C749 WeakPolarHBondContact O-CB 3.42Å; S745-C749 PolarHBondContact O-N 2.93Å; S745-C749 PolarHBondContact O-SG 3.19Å; C746-C749 PolarHBondContact O-N 3.46Å; D747-C749 VanDerWaalsContact C-N 3.32Å; D747-C749 PolarHBondContact O-N 2.98Å; C749-A752 PolarHBondContact O-N 2.75Å; C749-R753 WeakPolarHBondContact O-CB 3.36Å; C749-R753 PolarHBondContact O-N 3.48Å; C749-N788 PolarHBondContact SG-ND2 3.45Å; C749-V789 VanDerWaalsContact C-CG2 3.44Å; C749-V789 HydrophobicContact CB-CG2 3.8Å; C749-V789 WeakPolarHBondContact O-CG2 3.45Å
750	E	98.6	Very high	97.3	Very high	14 Å²	14	24.5 Å²	24.5	7%	0.065	13%	0.129	C	C	.	.	H	α-helix	trans	-63.6	-48.8	174.1	-176.9	171.5	-156.3	0	0	111.1	L707 C746 D747 A752 R753 N754 R793 R797	L707-E750 HydrophobicContact CD1-CG 4.31Å; C746-E750 WeakPolarHBondContact O-CB 3.32Å; C746-E750 PolarHBondContact O-N 3.22Å; D747-E750 PolarHBondContact O-N 2.81Å; E750-A752 VanDerWaalsContact C-N 3.29Å; E750-A752 PolarHBondContact O-N 2.8Å; E750-R753 PolarHBondContact O-N 2.71Å; E750-N754 WeakPolarHBondContact O-CB 3.24Å; E750-N754 PolarHBondContact O-N 3.43Å; E750-N754 PolarHBondContact O-OD1 3.35Å; E750-R793 IonicContact OE2-CZ 2.72Å; E750-R793 IonicContact OE2-NH1 3.46Å; E750-R793 PolarHBondContact OE2-NH1 3.23Å; E750-R797 IonicContact OE1-CZ 2.78Å; E750-R797 IonicContact OE1-NE 3.04Å; E750-R797 PolarHBondContact OE1-NE 3.29Å; E750-R797 IonicContact OE1-NH2 3.26Å; E750-R797 PolarHBondContact OE1-NH2 3.35Å; E750-R797 VanDerWaalsContact OE1-NH2 3.15Å; E750-R797 IonicContact OE2-CZ 2.75Å; E750-R797 IonicContact OE2-NE 3.17Å; E750-R797 IonicContact OE2-NH2 2.73Å; E750-R797 PolarHBondContact OE2-NH2 3.27Å
751	L	98.7	Very high	97.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-57.5	-40.8	173.2	-72.8	169.8	0	0	0	112.5	L703 L707 V713 L715 Y734 L743 D747 N754 S755	L703-L751 HydrophobicContact CD2-CD1 4.44Å; L703-L751 HydrophobicContact CD2-CD2 4.26Å; L707-L751 HydrophobicContact CD1-CD2 4.08Å; L707-L751 HydrophobicContact CD1-CG 4.35Å; L707-L751 HydrophobicContact CD2-CD1 4.08Å; L707-L751 HydrophobicContact CD2-CD2 4.12Å; L707-L751 HydrophobicContact CD2-CG 3.98Å; V713-L751 HydrophobicContact CG2-CD2 3.75Å; L715-L751 HydrophobicContact CD1-CD1 3.99Å; L715-L751 HydrophobicContact CG-CD1 4.35Å; Y734-L751 HydrophobicContact CE1-CB 3.83Å; Y734-L751 PolarHBondContact OH-O 3.19Å; L743-L751 HydrophobicContact CD1-CD1 3.83Å; D747-L751 WeakPolarHBondContact O-CG 3.42Å; D747-L751 PolarHBondContact O-N 2.8Å; L751-N754 PolarHBondContact O-N 2.69Å; L751-S755 PolarHBondContact O-N 2.82Å
752	A	98.5	Very high	97	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-65.5	-45.7	176.4	0	0	0	0	0	112.1	I366 K368 Y734 M748 C749 E750 N754 S755 V756	I366-A752 HydrophobicContact CD1-CB 3.63Å; I366-A752 HydrophobicContact CG1-CB 4.41Å; K368-A752 HydrophobicContact CB-CB 3.97Å; Y734-A752 WeakPolarHBondContact OH-CA 3.44Å; Y734-A752 PolarHBondContact OH-N 2.89Å; M748-A752 WeakPolarHBondContact O-CB 3.3Å; M748-A752 PolarHBondContact O-N 3.5Å; M748-A752 VanDerWaalsContact O-N 3.14Å; C749-A752 PolarHBondContact O-N 2.75Å; E750-A752 VanDerWaalsContact C-N 3.29Å; E750-A752 PolarHBondContact O-N 2.8Å; A752-N754 PolarHBondContact O-N 3.41Å; A752-S755 PolarHBondContact O-N 3.07Å; A752-S755 PolarHBondContact O-OG 3.45Å; A752-V756 PolarHBondContact O-N 2.99Å
753	R	98.1	Very high	96.7	Very high	28 Å²	28	16.5 Å²	16.5	11%	0.106	10%	0.098	C	C	.	.	H	α-helix	trans	-58	-47	174.3	-179.1	177.7	-175	-93.3	1.8	111.3	C749 E750 S755 V756 L757 L770 S781 N782 T787 V789	C749-R753 WeakPolarHBondContact O-CB 3.36Å; C749-R753 PolarHBondContact O-N 3.48Å; E750-R753 PolarHBondContact O-N 2.71Å; R753-S755 VanDerWaalsContact C-N 3.32Å; R753-S755 PolarHBondContact O-N 2.69Å; R753-V756 PolarHBondContact O-N 3.01Å; R753-V756 VanDerWaalsContact O-N 3.14Å; R753-L757 HydrophobicContact CG-CD1 4.16Å; R753-L757 WeakPolarHBondContact O-CG 3.44Å; R753-L757 PolarHBondContact O-N 3.47Å; R753-L770 HydrophobicContact CG-CD2 4.08Å; R753-S781 PolarHBondContact NH2-O 3.27Å; R753-S781 PolarHBondContact NH2-OG 3.49Å; R753-N782 PolarHBondContact NE-OD1 3.3Å; R753-T787 HydrophobicContact CG-CG2 4.29Å; R753-V789 HydrophobicContact CB-CG2 4.11Å
754	N	98.5	Very high	96.3	Very high	12 Å²	12	19.7 Å²	19.7	6%	0.064	11%	0.111	C	C	.	.	H	α-helix	trans	-60.7	-40.8	178.5	-66.7	-2.5	0	0	0	111.9	M712 V713 E750 L751 A752 V756 L757 M758	M712-N754 HydrophobicContact SD-CB 3.7Å; M712-N754 VanDerWaalsContact SD-CG 3.52Å; V713-N754 VanDerWaalsContact O-CB 3.3Å; V713-N754 WeakPolarHBondContact O-CB 3.49Å; V713-N754 PolarHBondContact O-ND2 2.78Å; E750-N754 WeakPolarHBondContact O-CB 3.24Å; E750-N754 PolarHBondContact O-N 3.43Å; E750-N754 PolarHBondContact O-OD1 3.35Å; L751-N754 PolarHBondContact O-N 2.69Å; A752-N754 PolarHBondContact O-N 3.41Å; N754-V756 VanDerWaalsContact C-N 3.29Å; N754-V756 PolarHBondContact O-N 2.95Å; N754-L757 PolarHBondContact O-N 3.08Å; N754-M758 WeakPolarHBondContact O-CG 3.37Å; N754-M758 PolarHBondContact O-N 3.39Å
755	S	98.7	Very high	96	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.9	-37.3	175.7	78.9	0	0	0	0	112.9	V369 T371 L751 A752 R753 S759	V369-S755 PolarHBondContact N-OG 2.77Å; V369-S755 VanDerWaalsContact O-CB 3.29Å; V369-S755 WeakPolarHBondContact O-CB 3.16Å; V369-S755 PolarHBondContact O-OG 3.2Å; T371-S755 WeakPolarHBondContact CG2-O 3.25Å; L751-S755 PolarHBondContact O-N 2.82Å; A752-S755 PolarHBondContact O-N 3.07Å; A752-S755 PolarHBondContact O-OG 3.45Å; R753-S755 VanDerWaalsContact C-N 3.32Å; R753-S755 PolarHBondContact O-N 2.69Å; S755-S759 WeakPolarHBondContact O-CB 3.29Å; S755-S759 PolarHBondContact O-N 3.23Å
756	V	98.4	Very high	95.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-70.7	-45.8	175.2	175.8	0	0	0	0	110.8	R367 V369 A752 R753 N754 M758 S759 K766 W769 L770	R367-V756 HydrophobicContact CB-CG2 4.07Å; V369-V756 HydrophobicContact CG2-CG2 4.09Å; A752-V756 PolarHBondContact O-N 2.99Å; R753-V756 PolarHBondContact O-N 3.01Å; R753-V756 VanDerWaalsContact O-N 3.14Å; N754-V756 VanDerWaalsContact C-N 3.29Å; N754-V756 PolarHBondContact O-N 2.95Å; V756-M758 PolarHBondContact O-N 3.28Å; V756-S759 WeakPolarHBondContact O-CB 3.42Å; V756-S759 PolarHBondContact O-N 3.37Å; V756-S759 PolarHBondContact O-OG 3.02Å; V756-K766 HydrophobicContact CG1-CG 4.25Å; V756-K766 VanDerWaalsContact O-CE 3.31Å; V756-K766 WeakPolarHBondContact O-CE 3.32Å; V756-W769 HydrophobicContact CG1-CB 4.4Å; V756-W769 HydrophobicContact CG1-CE3 3.75Å; V756-W769 HydrophobicContact CG1-CZ3 4.47Å; V756-W769 HydrophobicContact CG2-CE3 4.44Å; V756-L770 HydrophobicContact CB-CD1 4.4Å; V756-L770 HydrophobicContact CB-CD2 4.05Å; V756-L770 HydrophobicContact CB-CG 4.42Å; V756-L770 HydrophobicContact CG1-CD1 3.81Å; V756-L770 HydrophobicContact CG1-CD2 3.91Å; V756-L770 HydrophobicContact CG1-CG 3.77Å
757	L	96.7	Very high	95.6	Very high	39 Å²	39	18.5 Å²	18.5	20%	0.204	10%	0.098	C	C	.	.	H	α-helix	trans	-56.9	-50.2	-179.7	-74.2	170.1	0	0	0	111.9	M712 R753 N754 S759 K766 L770 Y774	M712-L757 HydrophobicContact CE-CD1 4.23Å; M712-L757 HydrophobicContact SD-CD1 4.41Å; R753-L757 HydrophobicContact CG-CD1 4.16Å; R753-L757 WeakPolarHBondContact O-CG 3.44Å; R753-L757 PolarHBondContact O-N 3.47Å; N754-L757 PolarHBondContact O-N 3.08Å; L757-S759 VanDerWaalsContact C-N 3.29Å; L757-S759 PolarHBondContact O-N 3.36Å; L757-K766 PolarHBondContact O-NZ 3.12Å; L757-L770 HydrophobicContact CD2-CD1 3.49Å; L757-L770 VanDerWaalsContact CD2-CD1 3.49Å; L757-L770 HydrophobicContact CG-CD1 3.88Å; L757-Y774 HydrophobicContact CD2-CD2 4.02Å; L757-Y774 HydrophobicContact CD2-CE2 4.43Å
758	M	95.1	Very high	95.3	Very high	11 Å²	11	19.2 Å²	19.2	5%	0.054	10%	0.099	C	C	.	.	H	α-helix	trans	-77.2	-9.3	-178.1	78.2	174.1	65	0	0	114.4	T371 R639 N660 M712 S714 N754 V756	T371-M758 HydrophobicContact CG2-CG 3.8Å; T371-M758 HydrophobicContact CG2-SD 4.17Å; R639-M758 PolarHBondContact NH1-O 2.83Å; R639-M758 PolarHBondContact NH2-O 2.77Å; N660-M758 PolarHBondContact ND2-O 3.43Å; M712-M758 HydrophobicContact CG-CE 3.92Å; M712-M758 VanDerWaalsContact O-CE 3.24Å; M712-M758 WeakPolarHBondContact O-CE 3.47Å; S714-M758 PolarHBondContact OG-SD 2.99Å; S714-M758 VanDerWaalsContact OG-SD 3.33Å; N754-M758 WeakPolarHBondContact O-CG 3.37Å; N754-M758 PolarHBondContact O-N 3.39Å; V756-M758 PolarHBondContact O-N 3.28Å
759	S	97	Very high	95.1	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.007	9%	0.093	C	C	.	.	S	Bend	trans	-69.8	163.6	178.7	73.8	0	0	0	0	113.2	R639 S755 V756 L757 K766	R639-S759 PolarHBondContact NH2-O 3.4Å; S755-S759 WeakPolarHBondContact O-CB 3.29Å; S755-S759 PolarHBondContact O-N 3.23Å; V756-S759 WeakPolarHBondContact O-CB 3.42Å; V756-S759 PolarHBondContact O-N 3.37Å; V756-S759 PolarHBondContact O-OG 3.02Å; L757-S759 VanDerWaalsContact C-N 3.29Å; L757-S759 PolarHBondContact O-N 3.36Å; S759-K766 VanDerWaalsContact O-CE 3.24Å; S759-K766 WeakPolarHBondContact O-CE 3.44Å; S759-K766 PolarHBondContact O-NZ 3.33Å
760	G	95	Very high	94.9	Very high	20 Å²	20	18 Å²	18	21%	0.206	9%	0.093	C	C	.	.			trans	-93.5	16.9	175	0	0	0	0	0	114.1	E492 V576	E492-G760 WeakPolarHBondContact OE1-CA 3.05Å; E492-G760 PolarHBondContact OE1-N 3.41Å; V576-G760 VanDerWaalsContact CG1-O 3.24Å; V576-G760 WeakPolarHBondContact CG1-O 3.49Å
761	F	95.4	Very high	94.6	Very high	5 Å²	5	17.5 Å²	17.5	2%	0.022	9%	0.091	C	C	.	.			trans	-67.3	146.9	167.8	-72.1	-83.9	0	0	0	110.3	V369 N490 N521 R523 M765 K766 W769	V369-F761 HydrophobicContact CG1-CD2 4.44Å; V369-F761 HydrophobicContact CG1-CE2 3.91Å; V369-F761 HydrophobicContact CG2-CD2 4.13Å; V369-F761 HydrophobicContact CG2-CE2 4.07Å; N490-F761 HydrophobicContact CB-CE2 4.04Å; N490-F761 HydrophobicContact CB-CZ 4.01Å; N521-F761 WeakPolarHBondContact O-CZ 3.23Å; R523-F761 HydrophobicContact CB-CZ 4.45Å; R523-F761 HydrophobicContact CG-CD1 3.82Å; R523-F761 HydrophobicContact CG-CD2 4.44Å; R523-F761 HydrophobicContact CG-CE1 3.63Å; R523-F761 HydrophobicContact CG-CE2 4.25Å; R523-F761 HydrophobicContact CG-CG 4.23Å; R523-F761 HydrophobicContact CG-CZ 3.84Å; F761-M765 HydrophobicContact CB-CB 4.33Å; F761-M765 HydrophobicContact CD1-CE 3.47Å; F761-M765 VanDerWaalsContact CD1-CE 3.47Å; F761-M765 HydrophobicContact CD1-SD 3.89Å; F761-M765 HydrophobicContact CE1-CE 3.92Å; F761-M765 HydrophobicContact CG-CE 4.45Å; F761-K766 WeakPolarHBondContact O-CE 3.31Å; F761-W769 HydrophobicContact CB-CH2 4.08Å; F761-W769 HydrophobicContact CB-CZ3 3.78Å; F761-W769 AromaticContact CD1-CH2 3.58Å; F761-W769 HydrophobicContact CD1-CH2 3.58Å; F761-W769 HydrophobicContact CD1-CZ3 4.13Å; F761-W769 AromaticContact CD2-CH2 3.89Å; F761-W769 HydrophobicContact CD2-CH2 3.89Å; F761-W769 AromaticContact CD2-CZ3 3.75Å; F761-W769 HydrophobicContact CD2-CZ3 3.75Å; F761-W769 AromaticContact CE1-CH2 3.92Å; F761-W769 HydrophobicContact CE1-CH2 3.92Å; F761-W769 HydrophobicContact CE2-CH2 4.23Å; F761-W769 HydrophobicContact CE2-CZ3 4.4Å; F761-W769 AromaticContact CG-CH2 3.56Å; F761-W769 HydrophobicContact CG-CH2 3.56Å; F761-W769 AromaticContact CG-CZ3 3.61Å; F761-W769 HydrophobicContact CG-CZ3 3.61Å; F761-W769 HydrophobicContact CZ-CH2 4.25Å
762	S	91.3	Very high	94.1	Very high	53 Å²	53	19.1 Å²	19.1	37%	0.371	10%	0.102	S	C	.	.			trans	-65.5	157.2	-173.7	57.6	0	0	0	0	112.9	K764 M765 K766	S762-K764 VanDerWaalsContact C-N 3.29Å; S762-K764 PolarHBondContact O-N 2.78Å; S762-M765 PolarHBondContact O-N 3.36Å; S762-K766 PolarHBondContact O-N 3.33Å
763	H	89.1	Confident	93.7	Very high	21 Å²	21	24.3 Å²	24.3	10%	0.097	13%	0.129	C	C	.	.	H	α-helix	trans	-41.7	-56.9	174.5	168.8	-102.2	0	0	0	111.5	E239 T243 M765 K766 S767 Y774 I775	E239-H763 WeakPolarHBondContact OE2-CB 3.47Å; E239-H763 IonicContact OE2-CG 3.3Å; T243-H763 PolarHBondContact OG1-ND1 3.35Å; H763-M765 VanDerWaalsContact C-N 3.29Å; H763-M765 PolarHBondContact O-N 3.13Å; H763-M765 VanDerWaalsContact O-N 3.16Å; H763-K766 CarbonylContact O-C 3.37Å; H763-K766 WeakPolarHBondContact O-CA 3.28Å; H763-K766 WeakPolarHBondContact O-CB 3.45Å; H763-K766 PolarHBondContact O-N 2.9Å; H763-S767 PolarHBondContact CE1-OG 3.23Å; H763-S767 VanDerWaalsContact CE1-OG 3.31Å; H763-S767 PolarHBondContact NE2-OG 3.13Å; H763-S767 PolarHBondContact O-N 3.21Å; H763-S767 PolarHBondContact O-OG 3.01Å; H763-Y774 AromaticContact CD2-CE1 3.62Å; H763-Y774 AromaticContact CD2-CZ 3.83Å; H763-Y774 PolarHBondContact CD2-OH 3.14Å; H763-Y774 VanDerWaalsContact CD2-OH 3.29Å; H763-Y774 AromaticContact NE2-CE1 3.79Å; H763-I775 VanDerWaalsContact CD2-CD1 3.45Å; H763-I775 WeakPolarHBondContact CD2-CD1 3.4Å; H763-I775 WeakPolarHBondContact NE2-CD1 3.4Å
764	K	87.8	Confident	93.4	Very high	89 Å²	89	24.2 Å²	24.2	39%	0.387	13%	0.13	S	C	.	.	H	α-helix	trans	-49.3	-44.9	177.9	-175	173.2	-174.6	170	0	113.3	T243 S762 Y768	T243-K764 HydrophobicContact CG2-CD 4.16Å; S762-K764 VanDerWaalsContact C-N 3.29Å; S762-K764 PolarHBondContact O-N 2.78Å; K764-Y768 HydrophobicContact CG-CD2 4.28Å; K764-Y768 HydrophobicContact CG-CE2 3.99Å; K764-Y768 WeakPolarHBondContact O-CD2 3.37Å; K764-Y768 PolarHBondContact O-N 2.92Å
765	M	90.6	Very high	93	Very high	16 Å²	16	25.6 Å²	25.6	8%	0.079	14%	0.136	C	C	.	.	H	α-helix	trans	-70.6	-40.5	179.4	-67.7	179.1	69.4	0	0	111.8	R523 F761 S762 H763 Y768 W769	R523-M765 PolarHBondContact NH2-SD 2.94Å; F761-M765 HydrophobicContact CB-CB 4.33Å; F761-M765 HydrophobicContact CD1-CE 3.47Å; F761-M765 VanDerWaalsContact CD1-CE 3.47Å; F761-M765 HydrophobicContact CD1-SD 3.89Å; F761-M765 HydrophobicContact CE1-CE 3.92Å; F761-M765 HydrophobicContact CG-CE 4.45Å; S762-M765 PolarHBondContact O-N 3.36Å; H763-M765 VanDerWaalsContact C-N 3.29Å; H763-M765 PolarHBondContact O-N 3.13Å; H763-M765 VanDerWaalsContact O-N 3.16Å; M765-Y768 PolarHBondContact O-N 3.14Å; M765-W769 HydrophobicContact CB-CH2 4.45Å; M765-W769 HydrophobicContact CB-CZ2 4.38Å; M765-W769 HydrophobicContact CE-CH2 3.69Å; M765-W769 HydrophobicContact CE-CZ2 3.49Å; M765-W769 VanDerWaalsContact CE-CZ2 3.49Å; M765-W769 PolarHBondContact O-N 3.35Å; M765-W769 VanDerWaalsContact O-N 3.15Å
766	K	94.1	Very high	92.6	Very high	30 Å²	30	27.5 Å²	27.5	13%	0.13	15%	0.152	C	C	.	.	H	α-helix	trans	-62	-40.9	173.7	-67.7	-177.8	-179.8	179.9	0	111.5	V756 L757 S759 F761 S762 H763 Y768 W769 L770 Y774	V756-K766 HydrophobicContact CG1-CG 4.25Å; V756-K766 VanDerWaalsContact O-CE 3.31Å; V756-K766 WeakPolarHBondContact O-CE 3.32Å; L757-K766 PolarHBondContact O-NZ 3.12Å; S759-K766 VanDerWaalsContact O-CE 3.24Å; S759-K766 WeakPolarHBondContact O-CE 3.44Å; S759-K766 PolarHBondContact O-NZ 3.33Å; F761-K766 WeakPolarHBondContact O-CE 3.31Å; S762-K766 PolarHBondContact O-N 3.33Å; H763-K766 CarbonylContact O-C 3.37Å; H763-K766 WeakPolarHBondContact O-CA 3.28Å; H763-K766 WeakPolarHBondContact O-CB 3.45Å; H763-K766 PolarHBondContact O-N 2.9Å; K766-Y768 PolarHBondContact O-N 3.39Å; K766-W769 PolarHBondContact O-N 2.77Å; K766-L770 WeakPolarHBondContact O-CB 3.2Å; K766-L770 PolarHBondContact O-N 3.22Å; K766-Y774 HydrophobicContact CB-CD1 4.4Å; K766-Y774 HydrophobicContact CB-CE1 3.7Å; K766-Y774 HydrophobicContact CB-CE2 3.94Å; K766-Y774 VanDerWaalsContact CB-CZ 3.46Å; K766-Y774 HydrophobicContact CD-CE2 4.12Å
767	S	91.6	Very high	92.2	Very high	2 Å²	2	30 Å²	30	1%	0.014	16%	0.163	C	C	.	.	H	α-helix	trans	-58.5	-44.6	175.1	-43.3	0	0	0	0	112.3	H763 W769 G771	H763-S767 PolarHBondContact CE1-OG 3.23Å; H763-S767 VanDerWaalsContact CE1-OG 3.31Å; H763-S767 PolarHBondContact NE2-OG 3.13Å; H763-S767 PolarHBondContact O-N 3.21Å; H763-S767 PolarHBondContact O-OG 3.01Å; S767-W769 VanDerWaalsContact C-N 3.27Å; S767-W769 PolarHBondContact O-N 3.08Å; S767-G771 WeakPolarHBondContact CA-O 3.49Å; S767-G771 CarbonylContact O-C 3.57Å; S767-G771 WeakPolarHBondContact O-CA 3.41Å; S767-G771 PolarHBondContact O-N 2.99Å
768	Y	91.4	Very high	92	Very high	33 Å²	33	28.4 Å²	28.4	13%	0.129	16%	0.157	C	C	.	.	H	α-helix	trans	-62.2	-33.2	174.7	-81.6	-67.7	0	0	0	113	V245 A249 T250 P253 P254 K764 M765 K766 R786	V245-Y768 HydrophobicContact CB-CE1 4.46Å; V245-Y768 HydrophobicContact CG1-CD1 3.6Å; V245-Y768 HydrophobicContact CG1-CE1 3.54Å; V245-Y768 HydrophobicContact CG1-CG 4.22Å; V245-Y768 HydrophobicContact CG2-CD1 4.21Å; V245-Y768 HydrophobicContact CG2-CD2 3.88Å; V245-Y768 HydrophobicContact CG2-CE1 4.05Å; V245-Y768 HydrophobicContact CG2-CE2 3.67Å; V245-Y768 HydrophobicContact CG2-CG 4.15Å; A249-Y768 HydrophobicContact CB-CE1 4Å; T250-Y768 WeakPolarHBondContact O-CD1 3.48Å; P253-Y768 HydrophobicContact CB-CD2 3.56Å; P253-Y768 HydrophobicContact CB-CE2 3.98Å; P253-Y768 HydrophobicContact CB-CG 4.03Å; P254-Y768 WeakPolarHBondContact CD-OH 3.41Å; K764-Y768 HydrophobicContact CG-CD2 4.28Å; K764-Y768 HydrophobicContact CG-CE2 3.99Å; K764-Y768 WeakPolarHBondContact O-CD2 3.37Å; K764-Y768 PolarHBondContact O-N 2.92Å; M765-Y768 PolarHBondContact O-N 3.14Å; K766-Y768 PolarHBondContact O-N 3.39Å; Y768-R786 PolarHBondContact O-NH1 3.36Å
769	W	94.4	Very high	91.7	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-92.1	-27.8	-173	-64	-13	0	0	0	115.2	R367 V369 N490 V756 F761 M765 K766 S767 R786	R367-W769 HydrophobicContact CB-CB 4.03Å; R367-W769 HydrophobicContact CB-CD2 4.35Å; R367-W769 HydrophobicContact CB-CG 4.08Å; R367-W769 HydrophobicContact CG-CB 3.81Å; R367-W769 HydrophobicContact CG-CD2 4.05Å; R367-W769 HydrophobicContact CG-CG 3.54Å; V369-W769 HydrophobicContact CG2-CZ3 4.39Å; N490-W769 HydrophobicContact CB-CH2 4.44Å; N490-W769 WeakPolarHBondContact ND2-CH2 3.4Å; N490-W769 WeakPolarHBondContact ND2-CZ2 3.42Å; V756-W769 HydrophobicContact CG1-CB 4.4Å; V756-W769 HydrophobicContact CG1-CE3 3.75Å; V756-W769 HydrophobicContact CG1-CZ3 4.47Å; V756-W769 HydrophobicContact CG2-CE3 4.44Å; F761-W769 HydrophobicContact CB-CH2 4.08Å; F761-W769 HydrophobicContact CB-CZ3 3.78Å; F761-W769 AromaticContact CD1-CH2 3.58Å; F761-W769 HydrophobicContact CD1-CH2 3.58Å; F761-W769 HydrophobicContact CD1-CZ3 4.13Å; F761-W769 AromaticContact CD2-CH2 3.89Å; F761-W769 HydrophobicContact CD2-CH2 3.89Å; F761-W769 AromaticContact CD2-CZ3 3.75Å; F761-W769 HydrophobicContact CD2-CZ3 3.75Å; F761-W769 AromaticContact CE1-CH2 3.92Å; F761-W769 HydrophobicContact CE1-CH2 3.92Å; F761-W769 HydrophobicContact CE2-CH2 4.23Å; F761-W769 HydrophobicContact CE2-CZ3 4.4Å; F761-W769 AromaticContact CG-CH2 3.56Å; F761-W769 HydrophobicContact CG-CH2 3.56Å; F761-W769 AromaticContact CG-CZ3 3.61Å; F761-W769 HydrophobicContact CG-CZ3 3.61Å; F761-W769 HydrophobicContact CZ-CH2 4.25Å; M765-W769 HydrophobicContact CB-CH2 4.45Å; M765-W769 HydrophobicContact CB-CZ2 4.38Å; M765-W769 HydrophobicContact CE-CH2 3.69Å; M765-W769 HydrophobicContact CE-CZ2 3.49Å; M765-W769 VanDerWaalsContact CE-CZ2 3.49Å; M765-W769 PolarHBondContact O-N 3.35Å; M765-W769 VanDerWaalsContact O-N 3.15Å; K766-W769 PolarHBondContact O-N 2.77Å; S767-W769 VanDerWaalsContact C-N 3.27Å; S767-W769 PolarHBondContact O-N 3.08Å; W769-R786 WeakPolarHBondContact O-CB 3.45Å
770	L	94.4	Very high	91.4	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-114.2	-28	-174.5	-62.1	-176	0	0	0	113.6	R753 V756 L757 K766 Y774 D783 T787	R753-L770 HydrophobicContact CG-CD2 4.08Å; V756-L770 HydrophobicContact CB-CD1 4.4Å; V756-L770 HydrophobicContact CB-CD2 4.05Å; V756-L770 HydrophobicContact CB-CG 4.42Å; V756-L770 HydrophobicContact CG1-CD1 3.81Å; V756-L770 HydrophobicContact CG1-CD2 3.91Å; V756-L770 HydrophobicContact CG1-CG 3.77Å; L757-L770 HydrophobicContact CD2-CD1 3.49Å; L757-L770 VanDerWaalsContact CD2-CD1 3.49Å; L757-L770 HydrophobicContact CG-CD1 3.88Å; K766-L770 WeakPolarHBondContact O-CB 3.2Å; K766-L770 PolarHBondContact O-N 3.22Å; L770-Y774 HydrophobicContact CB-CG 4.12Å; L770-Y774 HydrophobicContact CD1-CD2 3.86Å; L770-Y774 HydrophobicContact CD1-CG 4.19Å; L770-D783 WeakPolarHBondContact O-CB 3.35Å; L770-D783 PolarHBondContact O-N 3.32Å; L770-T787 HydrophobicContact CB-CG2 4.48Å; L770-T787 HydrophobicContact CD2-CG2 3.93Å
771	G	91.8	Very high	91.2	Very high	2 Å²	2	36.7 Å²	36.7	2%	0.021	19%	0.191	C	C	.	.			trans	131.5	155.2	-173.2	0	0	0	0	0	111	S767 D773 Y774	S767-G771 WeakPolarHBondContact CA-O 3.49Å; S767-G771 CarbonylContact O-C 3.57Å; S767-G771 WeakPolarHBondContact O-CA 3.41Å; S767-G771 PolarHBondContact O-N 2.99Å; G771-D773 VanDerWaalsContact C-N 3.28Å; G771-D773 PolarHBondContact O-N 3.33Å; G771-Y774 WeakPolarHBondContact O-CB 3.22Å; G771-Y774 WeakPolarHBondContact O-CD1 3.32Å; G771-Y774 PolarHBondContact O-N 3.04Å
772	P	88.6	Confident	91.2	Very high	35 Å²	35	37.1 Å²	37.1	23%	0.227	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-41.2	177.2	23.7	-32.1	0	0	0	112.2	V245 Y774	V245-P772 WeakPolarHBondContact O-CB 3.39Å; P772-Y774 VanDerWaalsContact C-N 3.27Å; P772-Y774 PolarHBondContact O-N 3.04Å
773	D	89.8	Confident	91.3	Very high	108 Å²	108	35.5 Å²	35.5	58%	0.578	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	19.2	-174.3	-49.5	-62.3	0	0	0	113.3	G771 I775 A776	G771-D773 VanDerWaalsContact C-N 3.28Å; G771-D773 PolarHBondContact O-N 3.33Å; D773-I775 PolarHBondContact O-N 3.14Å; D773-A776 WeakPolarHBondContact O-CB 3.33Å; D773-A776 PolarHBondContact O-N 3.13Å
774	Y	92.7	Very high	91.6	Very high	27 Å²	27	35.3 Å²	35.3	11%	0.106	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.7	-170	86.5	-89.4	0	0	0	115.1	L757 H763 K766 L770 G771 P772	L757-Y774 HydrophobicContact CD2-CD2 4.02Å; L757-Y774 HydrophobicContact CD2-CE2 4.43Å; H763-Y774 AromaticContact CD2-CE1 3.62Å; H763-Y774 AromaticContact CD2-CZ 3.83Å; H763-Y774 PolarHBondContact CD2-OH 3.14Å; H763-Y774 VanDerWaalsContact CD2-OH 3.29Å; H763-Y774 AromaticContact NE2-CE1 3.79Å; K766-Y774 HydrophobicContact CB-CD1 4.4Å; K766-Y774 HydrophobicContact CB-CE1 3.7Å; K766-Y774 HydrophobicContact CB-CE2 3.94Å; K766-Y774 VanDerWaalsContact CB-CZ 3.46Å; K766-Y774 HydrophobicContact CD-CE2 4.12Å; L770-Y774 HydrophobicContact CB-CG 4.12Å; L770-Y774 HydrophobicContact CD1-CD2 3.86Å; L770-Y774 HydrophobicContact CD1-CG 4.19Å; G771-Y774 WeakPolarHBondContact O-CB 3.22Å; G771-Y774 WeakPolarHBondContact O-CD1 3.32Å; G771-Y774 PolarHBondContact O-N 3.04Å; P772-Y774 VanDerWaalsContact C-N 3.27Å; P772-Y774 PolarHBondContact O-N 3.04Å
775	I	89.1	Confident	91.8	Very high	41 Å²	41	36 Å²	36	21%	0.21	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-19.8	175	-62.7	162	0	0	0	112.1	R212 T240 H763 D773	R212-I775 VanDerWaalsContact NH1-CG2 3.32Å; T240-I775 HydrophobicContact CG2-CD1 3.95Å; H763-I775 VanDerWaalsContact CD2-CD1 3.45Å; H763-I775 WeakPolarHBondContact CD2-CD1 3.4Å; H763-I775 WeakPolarHBondContact NE2-CD1 3.4Å; D773-I775 PolarHBondContact O-N 3.14Å
776	A	90.9	Very high	91.9	Very high	39 Å²	39	35.7 Å²	35.7	32%	0.322	18%	0.178	S	C	.	.	S	Bend	trans	-59.4	166.5	-179.4	0	0	0	0	0	112.3	D773 E780 S781	D773-A776 WeakPolarHBondContact O-CB 3.33Å; D773-A776 PolarHBondContact O-N 3.13Å; A776-E780 HydrophobicContact CB-CB 4.01Å; A776-S781 WeakPolarHBondContact O-CB 3.17Å
777	E	90.3	Very high	92	Very high	52 Å²	52	34.5 Å²	34.5	24%	0.243	17%	0.174	C	C	.	.	S	Bend	trans	-88.8	148.3	177.6	-52.6	-148.6	107.9	0	0	111.9	T213 R216 Y798	T213-E777 WeakPolarHBondContact CA-OE1 3.39Å; T213-E777 WeakPolarHBondContact CB-OE1 3.13Å; T213-E777 PolarHBondContact N-OE1 3.33Å; T213-E777 VanDerWaalsContact N-OE1 3.12Å; T213-E777 PolarHBondContact OG1-OE1 3.32Å; R216-E777 IonicContact CZ-OE2 3.83Å; R216-E777 IonicContact NE-OE2 3.76Å; R216-E777 PolarHBondContact NE-OE2 3.33Å; R216-E777 IonicContact NH2-OE2 2.69Å; R216-E777 PolarHBondContact NH2-OE2 3.43Å; R216-E777 VanDerWaalsContact NH2-OE2 3.09Å; E777-Y798 HydrophobicContact CB-CE2 3.79Å; E777-Y798 WeakPolarHBondContact CB-OH 3.37Å; E777-Y798 PolarHBondContact OE2-OH 3.01Å
778	G	90.8	Very high	92.2	Very high	6 Å²	6	34.5 Å²	34.5	6%	0.062	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	63.2	-139	172.2	0	0	0	0	0	115.4	E780 S781 V794 Y798	G778-E780 PolarHBondContact O-N 3.32Å; G778-S781 VanDerWaalsContact O-CB 3.27Å; G778-S781 WeakPolarHBondContact O-CB 3.47Å; G778-S781 PolarHBondContact O-N 3.11Å; G778-S781 PolarHBondContact O-OG 3.49Å; G778-V794 VanDerWaalsContact O-CG1 3.22Å; G778-V794 WeakPolarHBondContact O-CG1 3.45Å; G778-Y798 VanDerWaalsContact CA-CD1 3.41Å
779	Q	90	Very high	92.5	Very high	51 Å²	51	33 Å²	33	24%	0.238	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-61.8	-30.8	-174.6	-68.6	175.2	35.4	0	0	112.9	S781 N782 A795	Q779-S781 PolarHBondContact O-N 2.9Å; Q779-N782 PolarHBondContact O-N 2.91Å; Q779-A795 HydrophobicContact CG-CB 3.57Å
780	E	90	Very high	92.6	Very high	144 Å²	144	32.9 Å²	32.9	67%	0.673	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-68.7	-21.2	-177.3	-59	-178	157.7	0	0	111.5	A776 G778 N782	A776-E780 HydrophobicContact CB-CB 4.01Å; G778-E780 PolarHBondContact O-N 3.32Å; E780-N782 PolarHBondContact O-N 3.47Å; E780-N782 VanDerWaalsContact O-N 3.07Å
781	S	91.4	Very high	92.7	Very high	11 Å²	11	33.6 Å²	33.6	8%	0.077	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-68.8	3.4	174.8	80.4	0	0	0	0	115.8	R753 A776 G778 Q779	R753-S781 PolarHBondContact NH2-O 3.27Å; R753-S781 PolarHBondContact NH2-OG 3.49Å; A776-S781 WeakPolarHBondContact O-CB 3.17Å; G778-S781 VanDerWaalsContact O-CB 3.27Å; G778-S781 WeakPolarHBondContact O-CB 3.47Å; G778-S781 PolarHBondContact O-N 3.11Å; G778-S781 PolarHBondContact O-OG 3.49Å; Q779-S781 PolarHBondContact O-N 2.9Å
782	N	94.3	Very high	92.9	Very high	15 Å²	15	33.6 Å²	33.6	8%	0.08	17%	0.171	C	C	.	.			trans	-136.8	115.5	-165.6	-173.9	70.1	0	0	0	113.1	R753 Q779 E780 T787 V789 D791 V794	R753-N782 PolarHBondContact NE-OD1 3.3Å; Q779-N782 PolarHBondContact O-N 2.91Å; E780-N782 PolarHBondContact O-N 3.47Å; E780-N782 VanDerWaalsContact O-N 3.07Å; N782-T787 WeakPolarHBondContact OD1-CB 3.36Å; N782-T787 WeakPolarHBondContact OD1-CG2 3.34Å; N782-T787 PolarHBondContact OD1-OG1 3.28Å; N782-V789 PolarHBondContact ND2-O 3.23Å; N782-D791 PolarHBondContact ND2-OD1 2.88Å; N782-V794 HydrophobicContact CB-CG1 4.36Å; N782-V794 HydrophobicContact CB-CG2 3.97Å
783	D	94.3	Very high	93.3	Very high	18 Å²	18	32 Å²	32	10%	0.096	16%	0.16	C	C	.	.			trans	-94.8	101.3	161.3	-172.2	-10.1	0	0	0	109.2	L770 R785 R786 T787	L770-D783 WeakPolarHBondContact O-CB 3.35Å; L770-D783 PolarHBondContact O-N 3.32Å; D783-R785 PolarHBondContact O-N 3.49Å; D783-R785 WeakPolarHBondContact OD1-CA 3.26Å; D783-R785 WeakPolarHBondContact OD1-CB 3.12Å; D783-R785 WeakPolarHBondContact OD1-CG 3.5Å; D783-R785 IonicContact OD1-CZ 3.67Å; D783-R785 PolarHBondContact OD1-N 3.36Å; D783-R785 IonicContact OD1-NE 3.15Å; D783-R785 PolarHBondContact OD1-NE 3.38Å; D783-R785 IonicContact OD1-NH2 3.96Å; D783-R785 IonicContact OD2-CZ 3.1Å; D783-R785 IonicContact OD2-NE 2.78Å; D783-R785 PolarHBondContact OD2-NE 3.03Å; D783-R785 IonicContact OD2-NH2 3.65Å; D783-R785 PolarHBondContact OD2-NH2 3.16Å; D783-R786 HydrophobicContact CB-CB 4.33Å; D783-R786 HydrophobicContact CB-CG 4.18Å; D783-R786 WeakPolarHBondContact O-CA 3.23Å; D783-R786 PolarHBondContact O-N 2.99Å; D783-R786 IonicContact OD2-NE 3.77Å; D783-R786 PolarHBondContact OD2-NE 2.88Å; D783-T787 PolarHBondContact O-N 2.91Å; D783-T787 PolarHBondContact O-OG1 3.05Å
784	I	94.4	Very high	93.6	Very high	18 Å²	18	27.3 Å²	27.3	9%	0.092	14%	0.136	C	C	.	.	H	α-helix	trans	-55	-25.7	176	-165.3	-178.6	0	0	0	112.3	A354 V358 R786 N788 V789	A354-I784 HydrophobicContact CB-CD1 4.31Å; V358-I784 HydrophobicContact CG2-CB 4.47Å; V358-I784 HydrophobicContact CG2-CD1 3.74Å; V358-I784 HydrophobicContact CG2-CG1 3.87Å; V358-I784 HydrophobicContact CG2-CG2 3.93Å; I784-R786 PolarHBondContact O-N 3.07Å; I784-N788 VanDerWaalsContact O-CA 3.25Å; I784-N788 WeakPolarHBondContact O-CA 3.41Å; I784-N788 PolarHBondContact O-N 3.44Å; I784-V789 WeakPolarHBondContact CG1-O 3.16Å
785	R	93.1	Very high	93.8	Very high	103 Å²	103	26.1 Å²	26.1	39%	0.389	13%	0.131	S	C	.	.	H	α-helix	trans	-73.2	-3.6	175.8	-47.9	166.4	-62.7	172.4	8.7	112.9	V358 R361 D783	V358-R785 HydrophobicContact CG1-CB 4.4Å; V358-R785 HydrophobicContact CG1-CG 4.32Å; R361-R785 VanDerWaalsContact CD-O 3.25Å; R361-R785 WeakPolarHBondContact CD-O 3.41Å; R361-R785 WeakPolarHBondContact CG-O 3.46Å; R361-R785 PolarHBondContact NE-O 2.89Å; D783-R785 PolarHBondContact O-N 3.49Å; D783-R785 WeakPolarHBondContact OD1-CA 3.26Å; D783-R785 WeakPolarHBondContact OD1-CB 3.12Å; D783-R785 WeakPolarHBondContact OD1-CG 3.5Å; D783-R785 IonicContact OD1-CZ 3.67Å; D783-R785 PolarHBondContact OD1-N 3.36Å; D783-R785 IonicContact OD1-NE 3.15Å; D783-R785 PolarHBondContact OD1-NE 3.38Å; D783-R785 IonicContact OD1-NH2 3.96Å; D783-R785 IonicContact OD2-CZ 3.1Å; D783-R785 IonicContact OD2-NE 2.78Å; D783-R785 PolarHBondContact OD2-NE 3.03Å; D783-R785 IonicContact OD2-NH2 3.65Å; D783-R785 PolarHBondContact OD2-NH2 3.16Å
786	R	92.9	Very high	94.1	Very high	9 Å²	9	24.9 Å²	24.9	3%	0.034	12%	0.124	C	C	.	.	H	α-helix	trans	-123	-42.1	176.7	-60.3	-179.6	-172.9	-99.9	-6.7	112.2	A247 A249 V251 I366 Y768 W769 D783 I784	A247-R786 PolarHBondContact O-NH2 2.82Å; A249-R786 PolarHBondContact O-NH1 2.9Å; A249-R786 PolarHBondContact O-NH2 2.88Å; V251-R786 HydrophobicContact CG2-CG 4.07Å; I366-R786 WeakPolarHBondContact CG2-O 3.15Å; Y768-R786 PolarHBondContact O-NH1 3.36Å; W769-R786 WeakPolarHBondContact O-CB 3.45Å; D783-R786 HydrophobicContact CB-CB 4.33Å; D783-R786 HydrophobicContact CB-CG 4.18Å; D783-R786 WeakPolarHBondContact O-CA 3.23Å; D783-R786 PolarHBondContact O-N 2.99Å; D783-R786 IonicContact OD2-NE 3.77Å; D783-R786 PolarHBondContact OD2-NE 2.88Å; I784-R786 PolarHBondContact O-N 3.07Å
787	T	95.4	Very high	94.5	Very high	5 Å²	5	24.7 Å²	24.7	3%	0.031	12%	0.115	C	C	.	.	H	α-helix	trans	-87.7	-24.8	-178.5	68.6	0	0	0	0	113.8	R753 L770 N782 D783 V789	R753-T787 HydrophobicContact CG-CG2 4.29Å; L770-T787 HydrophobicContact CB-CG2 4.48Å; L770-T787 HydrophobicContact CD2-CG2 3.93Å; N782-T787 WeakPolarHBondContact OD1-CB 3.36Å; N782-T787 WeakPolarHBondContact OD1-CG2 3.34Å; N782-T787 PolarHBondContact OD1-OG1 3.28Å; D783-T787 PolarHBondContact O-N 2.91Å; D783-T787 PolarHBondContact O-OG1 3.05Å; T787-V789 PolarHBondContact O-N 3.09Å; T787-V789 VanDerWaalsContact O-N 3.1Å; T787-V789 PolarHBondContact OG1-N 3.48Å; T787-V789 VanDerWaalsContact OG1-N 3.08Å
788	N	96.9	Very high	94.8	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.016	11%	0.113	C	C	.	.			trans	51.7	19.5	-165.5	-163.6	43.7	0	0	0	114.2	Q355 R361 I366 C749 I784	Q355-N788 PolarHBondContact NE2-ND2 2.85Å; Q355-N788 PolarHBondContact NE2-O 3.46Å; R361-N788 HydrophobicContact CB-CB 4.43Å; I366-N788 HydrophobicContact CG2-CB 3.64Å; C749-N788 PolarHBondContact SG-ND2 3.45Å; I784-N788 VanDerWaalsContact O-CA 3.25Å; I784-N788 WeakPolarHBondContact O-CA 3.41Å; I784-N788 PolarHBondContact O-N 3.44Å
789	V	97.2	Very high	95	Very high	1 Å²	1	27 Å²	27	1%	0.006	12%	0.122	C	C	.	.			trans	-92.9	120.3	172.1	-177.8	0	0	0	0	107.8	C749 R753 N782 I784 T787 R793 V794	C749-V789 VanDerWaalsContact C-CG2 3.44Å; C749-V789 HydrophobicContact CB-CG2 3.8Å; C749-V789 WeakPolarHBondContact O-CG2 3.45Å; R753-V789 HydrophobicContact CB-CG2 4.11Å; N782-V789 PolarHBondContact ND2-O 3.23Å; I784-V789 WeakPolarHBondContact CG1-O 3.16Å; T787-V789 PolarHBondContact O-N 3.09Å; T787-V789 VanDerWaalsContact O-N 3.1Å; T787-V789 PolarHBondContact OG1-N 3.48Å; T787-V789 VanDerWaalsContact OG1-N 3.08Å; V789-R793 HydrophobicContact CG1-CB 4Å; V789-R793 HydrophobicContact CG1-CG 4.04Å; V789-V794 HydrophobicContact CG1-CG2 3.82Å
790	P	96.6	Very high	95.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.111	C	C	.	.			trans	-56.2	138.2	175.6	-29	38.4	0	0	0	112.9	E351 A354 Q355 C746 I792 R793 V794	E351-P790 HydrophobicContact CB-CB 4.32Å; E351-P790 HydrophobicContact CB-CG 3.99Å; E351-P790 HydrophobicContact CG-CB 4.31Å; E351-P790 HydrophobicContact CG-CG 4.45Å; E351-P790 VanDerWaalsContact O-CG 3.26Å; E351-P790 WeakPolarHBondContact O-CG 3.19Å; A354-P790 HydrophobicContact CB-CB 4.02Å; A354-P790 HydrophobicContact CB-CG 4.26Å; Q355-P790 HydrophobicContact CG-CG 3.64Å; C746-P790 VanDerWaalsContact SG-CD 3.54Å; P790-I792 HydrophobicContact CB-CB 4.37Å; P790-I792 PolarHBondContact O-N 3.42Å; P790-I792 VanDerWaalsContact O-N 3.11Å; P790-R793 WeakPolarHBondContact O-CB 3.46Å; P790-R793 PolarHBondContact O-N 3.1Å; P790-V794 PolarHBondContact O-N 2.88Å
791	D	95.6	Very high	95.6	Very high	17 Å²	17	18 Å²	18	9%	0.091	8%	0.081	C	C	.	.	H	α-helix	trans	-59.3	-27.9	176.6	-49.6	-39.4	0	0	0	111.6	N782 R793 V794 A795	N782-D791 PolarHBondContact ND2-OD1 2.88Å; D791-R793 VanDerWaalsContact C-N 3.31Å; D791-R793 PolarHBondContact O-N 2.85Å; D791-V794 PolarHBondContact O-N 3.33Å; D791-A795 WeakPolarHBondContact O-CB 3.09Å; D791-A795 PolarHBondContact O-N 3.05Å
792	I	96	Very high	95.8	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.01	8%	0.081	C	C	.	.	H	α-helix	trans	-54.1	-43.1	169.9	-64.5	173.3	0	0	0	112.1	E164 Y167 N347 K350 E351 P790 Y796	E164-I792 HydrophobicContact CG-CD1 4.43Å; E164-I792 WeakPolarHBondContact O-CG1 3.38Å; Y167-I792 HydrophobicContact CD1-CB 4.33Å; Y167-I792 HydrophobicContact CD1-CG1 4.24Å; Y167-I792 HydrophobicContact CD1-CG2 4.02Å; Y167-I792 HydrophobicContact CD2-CG2 4.22Å; Y167-I792 HydrophobicContact CG-CB 4.48Å; Y167-I792 HydrophobicContact CG-CG1 4.5Å; Y167-I792 HydrophobicContact CG-CG2 3.72Å; N347-I792 HydrophobicContact CB-CG2 4.29Å; K350-I792 HydrophobicContact CB-CD1 3.69Å; E351-I792 HydrophobicContact CG-CB 4.14Å; E351-I792 HydrophobicContact CG-CG2 3.75Å; P790-I792 HydrophobicContact CB-CB 4.37Å; P790-I792 PolarHBondContact O-N 3.42Å; P790-I792 VanDerWaalsContact O-N 3.11Å; I792-Y796 WeakPolarHBondContact O-CB 3.46Å; I792-Y796 PolarHBondContact O-N 2.88Å; I792-Y796 VanDerWaalsContact O-N 3.07Å
793	R	97.3	Very high	95.9	Very high	1 Å²	1	20.7 Å²	20.7	0%	0.004	9%	0.092	C	C	.	.	H	α-helix	trans	-68.8	-48.2	178.6	178.8	61.2	64.5	93.6	-0.7	110.3	E351 C746 D747 E750 V789 P790 D791 A795 Y796 R797	E351-R793 IonicContact OE1-CZ 2.64Å; E351-R793 IonicContact OE1-NE 3.05Å; E351-R793 PolarHBondContact OE1-NE 3.46Å; E351-R793 IonicContact OE1-NH2 3.22Å; E351-R793 IonicContact OE2-CZ 3.65Å; E351-R793 IonicContact OE2-NE 2.67Å; E351-R793 PolarHBondContact OE2-NE 3.12Å; E351-R793 IonicContact OE2-NH2 3.89Å; E351-R793 PolarHBondContact OE2-NH2 3.29Å; C746-R793 PolarHBondContact SG-NH2 3.09Å; C746-R793 VanDerWaalsContact SG-NH2 3.42Å; D747-R793 IonicContact OD1-CZ 3.68Å; D747-R793 IonicContact OD1-NH1 2.94Å; D747-R793 PolarHBondContact OD1-NH1 2.76Å; D747-R793 IonicContact OD1-NH2 3.79Å; D747-R793 PolarHBondContact OD1-NH2 3.03Å; E750-R793 IonicContact OE2-CZ 2.72Å; E750-R793 IonicContact OE2-NH1 3.46Å; E750-R793 PolarHBondContact OE2-NH1 3.23Å; V789-R793 HydrophobicContact CG1-CB 4Å; V789-R793 HydrophobicContact CG1-CG 4.04Å; P790-R793 WeakPolarHBondContact O-CB 3.46Å; P790-R793 PolarHBondContact O-N 3.1Å; D791-R793 VanDerWaalsContact C-N 3.31Å; D791-R793 PolarHBondContact O-N 2.85Å; R793-A795 VanDerWaalsContact C-N 3.34Å; R793-A795 PolarHBondContact O-N 2.77Å; R793-Y796 PolarHBondContact O-N 3.11Å; R793-R797 WeakPolarHBondContact O-CG 3.47Å; R793-R797 PolarHBondContact O-N 2.73Å
794	V	96.8	Very high	96	Very high	11 Å²	11	19.9 Å²	19.9	7%	0.067	9%	0.088	C	C	.	.	H	α-helix	trans	-62.9	-42.3	-179	-175.5	0	0	0	0	110.8	G778 N782 V789 P790 D791 R797 Y798	G778-V794 VanDerWaalsContact O-CG1 3.22Å; G778-V794 WeakPolarHBondContact O-CG1 3.45Å; N782-V794 HydrophobicContact CB-CG1 4.36Å; N782-V794 HydrophobicContact CB-CG2 3.97Å; V789-V794 HydrophobicContact CG1-CG2 3.82Å; P790-V794 PolarHBondContact O-N 2.88Å; D791-V794 PolarHBondContact O-N 3.33Å; V794-R797 PolarHBondContact O-N 3.07Å; V794-Y798 WeakPolarHBondContact O-CB 3.5Å; V794-Y798 PolarHBondContact O-N 3.24Å
795	A	95.9	Very high	96.1	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.008	8%	0.084	C	C	.	.	H	α-helix	trans	-56.4	-52.8	172.1	0	0	0	0	0	111.9	Y167 Q779 D791 R793 R797 Y798 E799	Y167-A795 HydrophobicContact CD1-CB 4.48Å; Y167-A795 HydrophobicContact CE1-CB 3.41Å; Y167-A795 VanDerWaalsContact CE1-CB 3.41Å; Y167-A795 WeakPolarHBondContact OH-CB 3.39Å; Q779-A795 HydrophobicContact CG-CB 3.57Å; D791-A795 WeakPolarHBondContact O-CB 3.09Å; D791-A795 PolarHBondContact O-N 3.05Å; R793-A795 VanDerWaalsContact C-N 3.34Å; R793-A795 PolarHBondContact O-N 2.77Å; A795-R797 VanDerWaalsContact C-N 3.31Å; A795-R797 PolarHBondContact O-N 3.14Å; A795-Y798 PolarHBondContact O-N 3.37Å; A795-E799 VanDerWaalsContact O-CB 3.3Å; A795-E799 WeakPolarHBondContact O-CB 3.38Å; A795-E799 VanDerWaalsContact O-CG 3.3Å; A795-E799 WeakPolarHBondContact O-CG 3.12Å; A795-E799 PolarHBondContact O-N 2.77Å
796	Y	96.9	Very high	96.1	Very high	15 Å²	15	17.1 Å²	17.1	6%	0.059	8%	0.081	C	C	.	.	H	α-helix	trans	-57.7	-44.3	-179.3	167.5	-90.8	0	0	0	112	Y167 K339 F340 H343 I792 R793 T800	Y167-Y796 WeakPolarHBondContact OH-CA 3.38Å; Y167-Y796 PolarHBondContact OH-N 3.34Å; K339-Y796 WeakPolarHBondContact CB-OH 3.32Å; K339-Y796 HydrophobicContact CD-CE2 4.04Å; K339-Y796 HydrophobicContact CG-CE2 4.07Å; F340-Y796 VanDerWaalsContact CA-OH 3.28Å; F340-Y796 WeakPolarHBondContact CA-OH 3.48Å; F340-Y796 HydrophobicContact CB-CE1 4.23Å; F340-Y796 HydrophobicContact CD2-CD1 4.13Å; F340-Y796 AromaticContact CD2-CE1 3.62Å; F340-Y796 HydrophobicContact CD2-CE1 3.62Å; F340-Y796 HydrophobicContact CG-CE1 4.41Å; F340-Y796 PolarHBondContact N-OH 3.18Å; H343-Y796 HydrophobicContact CB-CD2 3.69Å; H343-Y796 HydrophobicContact CB-CE2 3.61Å; H343-Y796 HydrophobicContact CB-CG 4.23Å; H343-Y796 AromaticContact CD2-CG 3.96Å; H343-Y796 AromaticContact CE1-CG 3.83Å; H343-Y796 AromaticContact CG-CD2 3.5Å; H343-Y796 AromaticContact CG-CE2 3.97Å; H343-Y796 AromaticContact CG-CG 3.66Å; H343-Y796 AromaticContact ND1-CD2 3.41Å; H343-Y796 WeakPolarHBondContact ND1-CD2 3.33Å; H343-Y796 AromaticContact ND1-CG 3.61Å; I792-Y796 WeakPolarHBondContact O-CB 3.46Å; I792-Y796 PolarHBondContact O-N 2.88Å; I792-Y796 VanDerWaalsContact O-N 3.07Å; R793-Y796 PolarHBondContact O-N 3.11Å; Y796-T800 WeakPolarHBondContact CE2-OG1 3.3Å; Y796-T800 WeakPolarHBondContact O-CB 3.41Å; Y796-T800 PolarHBondContact O-N 2.88Å; Y796-T800 VanDerWaalsContact O-N 3.08Å; Y796-T800 PolarHBondContact O-OG1 3.04Å
797	R	97.6	Very high	96.1	Very high	35 Å²	35	18.2 Å²	18.2	13%	0.132	9%	0.087	C	C	.	.	H	α-helix	trans	-61.6	-52.1	177.4	-66.9	-60.3	-171.7	-170	3.5	111.1	L707 S708 E750 R793 V794 A795 T800 M801	L707-R797 VanDerWaalsContact O-CZ 3.23Å; L707-R797 PolarHBondContact O-NH1 3.15Å; L707-R797 PolarHBondContact O-NH2 3.01Å; S708-R797 PolarHBondContact O-NH1 3.49Å; E750-R797 IonicContact OE1-CZ 2.78Å; E750-R797 IonicContact OE1-NE 3.04Å; E750-R797 PolarHBondContact OE1-NE 3.29Å; E750-R797 IonicContact OE1-NH2 3.26Å; E750-R797 PolarHBondContact OE1-NH2 3.35Å; E750-R797 VanDerWaalsContact OE1-NH2 3.15Å; E750-R797 IonicContact OE2-CZ 2.75Å; E750-R797 IonicContact OE2-NE 3.17Å; E750-R797 IonicContact OE2-NH2 2.73Å; E750-R797 PolarHBondContact OE2-NH2 3.27Å; R793-R797 WeakPolarHBondContact O-CG 3.47Å; R793-R797 PolarHBondContact O-N 2.73Å; V794-R797 PolarHBondContact O-N 3.07Å; A795-R797 VanDerWaalsContact C-N 3.31Å; A795-R797 PolarHBondContact O-N 3.14Å; R797-T800 PolarHBondContact O-N 3.25Å; R797-M801 WeakPolarHBondContact O-CB 3.43Å; R797-M801 PolarHBondContact O-N 3.36Å
798	Y	96.8	Very high	96	Very high	52 Å²	52	18 Å²	18	20%	0.204	9%	0.086	C	C	.	.	H	α-helix	trans	-65.6	-47.3	-176.4	-179.9	-109.3	0	0	0	112.8	T213 R216 E777 G778 V794 A795 T800 M801 C802	T213-Y798 HydrophobicContact CG2-CE2 3.7Å; R216-Y798 PolarHBondContact NH2-OH 2.76Å; E777-Y798 HydrophobicContact CB-CE2 3.79Å; E777-Y798 WeakPolarHBondContact CB-OH 3.37Å; E777-Y798 PolarHBondContact OE2-OH 3.01Å; G778-Y798 VanDerWaalsContact CA-CD1 3.41Å; V794-Y798 WeakPolarHBondContact O-CB 3.5Å; V794-Y798 PolarHBondContact O-N 3.24Å; A795-Y798 PolarHBondContact O-N 3.37Å; Y798-T800 PolarHBondContact O-N 2.87Å; Y798-M801 HydrophobicContact CD2-CE 3.89Å; Y798-M801 HydrophobicContact CE2-CE 4.19Å; Y798-M801 PolarHBondContact O-N 3.33Å; Y798-C802 VanDerWaalsContact CZ-SG 3.51Å; Y798-C802 WeakPolarHBondContact O-CB 3.25Å; Y798-C802 PolarHBondContact O-N 3.13Å; Y798-C802 PolarHBondContact O-SG 3.14Å
799	E	95.6	Very high	95.8	Very high	54 Å²	54	18 Å²	18	25%	0.252	9%	0.086	S	C	.	.	H	α-helix	trans	-59.5	-46.4	176.9	-72	175.5	-168.1	0	0	110.9	Y167 R169 A795 M801 C802 E803	Y167-E799 PolarHBondContact OH-OE1 3.47Å; Y167-E799 PolarHBondContact OH-OE2 3.27Å; R169-E799 WeakPolarHBondContact CD-OE2 3.47Å; R169-E799 IonicContact CZ-OE1 3.39Å; R169-E799 VanDerWaalsContact CZ-OE1 3.31Å; R169-E799 IonicContact CZ-OE2 3.96Å; R169-E799 VanDerWaalsContact NE-CD 3.32Å; R169-E799 IonicContact NE-OE1 2.67Å; R169-E799 PolarHBondContact NE-OE1 2.69Å; R169-E799 IonicContact NE-OE2 2.68Å; R169-E799 PolarHBondContact NE-OE2 2.8Å; R169-E799 IonicContact NH2-OE1 3.63Å; R169-E799 PolarHBondContact NH2-OE1 2.79Å; R169-E799 IonicContact NH2-OE2 3.9Å; A795-E799 VanDerWaalsContact O-CB 3.3Å; A795-E799 WeakPolarHBondContact O-CB 3.38Å; A795-E799 VanDerWaalsContact O-CG 3.3Å; A795-E799 WeakPolarHBondContact O-CG 3.12Å; A795-E799 PolarHBondContact O-N 2.77Å; E799-M801 PolarHBondContact O-N 3.5Å; E799-C802 PolarHBondContact O-N 3.43Å; E799-E803 WeakPolarHBondContact O-CG 3.12Å; E799-E803 PolarHBondContact O-N 3.12Å
800	T	96.1	Very high	95.5	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.018	11%	0.113	C	C	.	.	H	α-helix	trans	-64.6	-39.4	179.5	-60.5	0	0	0	0	112.5	L336 K339 Y796 R797 Y798 E803 E804	L336-T800 HydrophobicContact CD2-CG2 3.46Å; L336-T800 VanDerWaalsContact CD2-CG2 3.46Å; K339-T800 HydrophobicContact CD-CG2 3.7Å; K339-T800 PolarHBondContact NZ-OG1 2.73Å; Y796-T800 WeakPolarHBondContact CE2-OG1 3.3Å; Y796-T800 WeakPolarHBondContact O-CB 3.41Å; Y796-T800 PolarHBondContact O-N 2.88Å; Y796-T800 VanDerWaalsContact O-N 3.08Å; Y796-T800 PolarHBondContact O-OG1 3.04Å; R797-T800 PolarHBondContact O-N 3.25Å; Y798-T800 PolarHBondContact O-N 2.87Å; T800-E803 WeakPolarHBondContact O-CB 3.48Å; T800-E803 PolarHBondContact O-N 3.02Å; T800-E804 PolarHBondContact O-N 2.84Å; T800-E804 VanDerWaalsContact O-N 3.08Å
801	M	96.4	Very high	95.1	Very high	5 Å²	5	23.9 Å²	23.9	3%	0.025	12%	0.115	C	C	.	.	H	α-helix	trans	-71.3	-37.5	177.1	-179.6	-158.2	73.2	0	0	112	Y211 T213 Y678 Q681 R797 Y798 E799 E803 E804 L805	Y211-M801 HydrophobicContact CD1-SD 4.35Å; Y211-M801 HydrophobicContact CE1-CE 3.5Å; Y211-M801 VanDerWaalsContact CE1-CE 3.5Å; Y211-M801 HydrophobicContact CE1-SD 3.37Å; Y211-M801 WeakPolarHBondContact CE1-SD 3.43Å; Y211-M801 WeakPolarHBondContact OH-CE 3.45Å; T213-M801 HydrophobicContact CG2-CE 3.64Å; Y678-M801 WeakPolarHBondContact OH-CA 3.49Å; Y678-M801 PolarHBondContact OH-N 2.85Å; Q681-M801 HydrophobicContact CG-SD 3.86Å; R797-M801 WeakPolarHBondContact O-CB 3.43Å; R797-M801 PolarHBondContact O-N 3.36Å; Y798-M801 HydrophobicContact CD2-CE 3.89Å; Y798-M801 HydrophobicContact CE2-CE 4.19Å; Y798-M801 PolarHBondContact O-N 3.33Å; E799-M801 PolarHBondContact O-N 3.5Å; M801-E803 VanDerWaalsContact C-N 3.31Å; M801-E803 PolarHBondContact O-N 3.16Å; M801-E804 PolarHBondContact O-N 3.39Å; M801-L805 HydrophobicContact CE-CD1 4.28Å; M801-L805 HydrophobicContact CG-CD1 4.1Å; M801-L805 WeakPolarHBondContact O-CB 2.79Å; M801-L805 WeakPolarHBondContact O-CG 3.22Å; M801-L805 PolarHBondContact O-N 2.94Å
802	C	96.8	Very high	94.9	Very high	13 Å²	13	23.1 Å²	23.1	9%	0.088	11%	0.11	C	C	.	.	H	α-helix	trans	-62	-38.6	169.5	-67.9	0	0	0	0	111.4	Y217 Y798 E799 L805 N806	Y217-C802 HydrophobicContact CE2-CB 4.3Å; Y798-C802 VanDerWaalsContact CZ-SG 3.51Å; Y798-C802 WeakPolarHBondContact O-CB 3.25Å; Y798-C802 PolarHBondContact O-N 3.13Å; Y798-C802 PolarHBondContact O-SG 3.14Å; E799-C802 PolarHBondContact O-N 3.43Å; C802-L805 PolarHBondContact O-N 3.32Å; C802-N806 VanDerWaalsContact O-CB 3.23Å; C802-N806 WeakPolarHBondContact O-CB 3.36Å; C802-N806 VanDerWaalsContact O-CG 3.22Å; C802-N806 PolarHBondContact O-N 3.39Å; C802-N806 PolarHBondContact O-ND2 3.18Å
803	E	94.9	Very high	94.4	Very high	68 Å²	68	27 Å²	27	32%	0.318	13%	0.125	S	C	.	.	H	α-helix	trans	-60.3	-45.2	173	-73.3	170	-139.3	0	0	112.3	K339 E799 T800 M801 L807	K339-E803 IonicContact NZ-OE1 3.46Å; K339-E803 PolarHBondContact NZ-OE1 3.47Å; K339-E803 IonicContact NZ-OE2 3.94Å; K339-E803 PolarHBondContact NZ-OE2 3.13Å; E799-E803 WeakPolarHBondContact O-CG 3.12Å; E799-E803 PolarHBondContact O-N 3.12Å; T800-E803 WeakPolarHBondContact O-CB 3.48Å; T800-E803 PolarHBondContact O-N 3.02Å; M801-E803 VanDerWaalsContact C-N 3.31Å; M801-E803 PolarHBondContact O-N 3.16Å; E803-L807 WeakPolarHBondContact O-CB 3.19Å; E803-L807 PolarHBondContact O-N 3.47Å
804	E	96.1	Very high	93.8	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.009	14%	0.137	C	C	.	.	H	α-helix	trans	-67.4	-37.3	178.1	-64.6	-52.2	100.8	0	0	112.8	R332 Y335 L336 Y675 Y678 L679 T800 M801 L807 I808	R332-E804 IonicContact CZ-OE1 2.76Å; R332-E804 IonicContact CZ-OE2 2.76Å; R332-E804 IonicContact NE-OE1 3.73Å; R332-E804 IonicContact NE-OE2 2.79Å; R332-E804 PolarHBondContact NE-OE2 3.04Å; R332-E804 VanDerWaalsContact NH2-CD 3.33Å; R332-E804 IonicContact NH2-OE1 2.69Å; R332-E804 PolarHBondContact NH2-OE1 3.21Å; R332-E804 IonicContact NH2-OE2 3.06Å; R332-E804 PolarHBondContact NH2-OE2 2.97Å; Y335-E804 WeakPolarHBondContact CE1-OE1 3.41Å; L336-E804 HydrophobicContact CD2-CG 3.96Å; Y675-E804 PolarHBondContact OH-OE2 3.08Å; Y678-E804 HydrophobicContact CE1-CB 4.03Å; Y678-E804 HydrophobicContact CE1-CG 3.8Å; L679-E804 HydrophobicContact CD2-CB 3.93Å; T800-E804 PolarHBondContact O-N 2.84Å; T800-E804 VanDerWaalsContact O-N 3.08Å; M801-E804 PolarHBondContact O-N 3.39Å; E804-L807 PolarHBondContact O-N 2.9Å; E804-I808 PolarHBondContact O-N 3.27Å
805	L	96.9	Very high	92.9	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-69.3	-45.7	175.3	-71.1	165.3	0	0	0	111.4	T213 T214 Y217 L679 M801 C802 L807 I808 T809	T213-L805 HydrophobicContact CG2-CD1 4.32Å; T214-L805 HydrophobicContact CG2-CD2 3.93Å; T214-L805 WeakPolarHBondContact OG1-CD1 3.49Å; Y217-L805 HydrophobicContact CD1-CB 4.29Å; Y217-L805 HydrophobicContact CD2-CB 3.56Å; Y217-L805 HydrophobicContact CD2-CD1 3.63Å; Y217-L805 HydrophobicContact CD2-CG 4.16Å; Y217-L805 HydrophobicContact CE2-CB 3.93Å; Y217-L805 HydrophobicContact CE2-CD1 4.18Å; Y217-L805 HydrophobicContact CG-CB 3.76Å; Y217-L805 HydrophobicContact CG-CD1 4.42Å; L679-L805 HydrophobicContact CB-CD2 4.49Å; L679-L805 HydrophobicContact CD2-CD2 3.89Å; L679-L805 HydrophobicContact CD2-CG 4.1Å; M801-L805 HydrophobicContact CE-CD1 4.28Å; M801-L805 HydrophobicContact CG-CD1 4.1Å; M801-L805 WeakPolarHBondContact O-CB 2.79Å; M801-L805 WeakPolarHBondContact O-CG 3.22Å; M801-L805 PolarHBondContact O-N 2.94Å; C802-L805 PolarHBondContact O-N 3.32Å; L805-L807 VanDerWaalsContact C-N 3.27Å; L805-L807 PolarHBondContact O-N 2.94Å; L805-I808 VanDerWaalsContact O-CG1 3.29Å; L805-I808 WeakPolarHBondContact O-CG1 3.29Å; L805-I808 PolarHBondContact O-N 3.4Å; L805-T809 WeakPolarHBondContact O-CG2 3.49Å; L805-T809 PolarHBondContact O-N 2.7Å; L805-T809 PolarHBondContact O-OG1 2.93Å
806	N	94.3	Very high	91.6	Very high	61 Å²	61	33 Å²	33	33%	0.326	16%	0.156	S	C	.	.	H	α-helix	trans	-55.4	-42.3	171.2	-79.9	-56.4	0	0	0	111.3	Y217 C802 I808 T809 Q810	Y217-N806 WeakPolarHBondContact CE1-OD1 3.27Å; Y217-N806 PolarHBondContact OH-ND2 2.73Å; Y217-N806 PolarHBondContact OH-OD1 3.37Å; C802-N806 VanDerWaalsContact O-CB 3.23Å; C802-N806 WeakPolarHBondContact O-CB 3.36Å; C802-N806 VanDerWaalsContact O-CG 3.22Å; C802-N806 PolarHBondContact O-N 3.39Å; C802-N806 PolarHBondContact O-ND2 3.18Å; N806-I808 VanDerWaalsContact C-N 3.35Å; N806-I808 PolarHBondContact O-N 3.19Å; N806-T809 PolarHBondContact O-N 3.1Å; N806-T809 PolarHBondContact O-OG1 3.38Å; N806-Q810 WeakPolarHBondContact O-CB 3.35Å; N806-Q810 PolarHBondContact O-N 2.74Å
807	L	92.4	Very high	90.2	Very high	31 Å²	31	37.8 Å²	37.8	16%	0.162	18%	0.182	C	C	.	.	H	α-helix	trans	-58.8	-44.3	-177.8	176.2	64.4	0	0	0	112.2	C178 L185 F328 R332 E803 E804 L805 A811	C178-L807 HydrophobicContact CB-CD1 4.33Å; L185-L807 HydrophobicContact CD1-CD1 4.1Å; L185-L807 HydrophobicContact CD1-CG 4.09Å; L185-L807 HydrophobicContact CD2-CD1 4.04Å; F328-L807 HydrophobicContact CZ-CD2 4.43Å; R332-L807 VanDerWaalsContact CZ-CD2 3.47Å; E803-L807 WeakPolarHBondContact O-CB 3.19Å; E803-L807 PolarHBondContact O-N 3.47Å; E804-L807 PolarHBondContact O-N 2.9Å; L805-L807 VanDerWaalsContact C-N 3.27Å; L805-L807 PolarHBondContact O-N 2.94Å; L807-A811 WeakPolarHBondContact O-CB 3.33Å; L807-A811 PolarHBondContact O-N 3.32Å
808	I	94	Very high	88.8	Confident	1 Å²	1	42 Å²	42	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-80	-36.2	-179.3	62.6	175.6	0	0	0	112.6	A189 V192 V193 L196 F328 L679 E804 L805 N806	A189-I808 HydrophobicContact CB-CB 3.99Å; A189-I808 HydrophobicContact CB-CG2 4.28Å; A189-I808 WeakPolarHBondContact CB-O 3.38Å; V192-I808 HydrophobicContact CG1-CD1 3.72Å; V193-I808 HydrophobicContact CG2-CB 4.44Å; V193-I808 HydrophobicContact CG2-CD1 3.97Å; V193-I808 HydrophobicContact CG2-CG1 4.21Å; L196-I808 HydrophobicContact CD1-CD1 4.08Å; F328-I808 HydrophobicContact CE1-CG2 4.46Å; F328-I808 HydrophobicContact CZ-CG2 4.38Å; L679-I808 HydrophobicContact CD1-CD1 3.8Å; E804-I808 PolarHBondContact O-N 3.27Å; L805-I808 VanDerWaalsContact O-CG1 3.29Å; L805-I808 WeakPolarHBondContact O-CG1 3.29Å; L805-I808 PolarHBondContact O-N 3.4Å; N806-I808 VanDerWaalsContact C-N 3.35Å; N806-I808 PolarHBondContact O-N 3.19Å
809	T	92.7	Very high	87	Confident	2 Å²	2	43 Å²	43	1%	0.012	22%	0.215	C	C	.	.	H	α-helix	trans	-74.2	-40.1	179.2	58.3	0	0	0	0	111.9	Y217 L221 L805 N806 I812 R813	Y217-T809 HydrophobicContact CD1-CG2 4.21Å; Y217-T809 WeakPolarHBondContact O-CG2 3.37Å; L221-T809 HydrophobicContact CD1-CG2 3.85Å; L221-T809 HydrophobicContact CG-CG2 4.17Å; L805-T809 WeakPolarHBondContact O-CG2 3.49Å; L805-T809 PolarHBondContact O-N 2.7Å; L805-T809 PolarHBondContact O-OG1 2.93Å; N806-T809 PolarHBondContact O-N 3.1Å; N806-T809 PolarHBondContact O-OG1 3.38Å; T809-I812 PolarHBondContact O-N 2.96Å; T809-R813 PolarHBondContact O-N 2.96Å; T809-R813 VanDerWaalsContact O-N 3.08Å
810	Q	89.6	Confident	85	Confident	122 Å²	122	44.7 Å²	44.7	57%	0.57	23%	0.229	S	C	*	.	H	α-helix	trans	-65.8	-38	176.9	-172.4	177.3	10.2	0	0	111.7	N806 I812 R813 T814	N806-Q810 WeakPolarHBondContact O-CB 3.35Å; N806-Q810 PolarHBondContact O-N 2.74Å; Q810-I812 VanDerWaalsContact C-N 3.29Å; Q810-I812 PolarHBondContact O-N 3.1Å; Q810-R813 PolarHBondContact O-N 3.26Å; Q810-T814 PolarHBondContact O-N 3.38Å; Q810-T814 PolarHBondContact O-OG1 3.09Å
811	A	89.5	Confident	82.7	Confident	4 Å²	4	52 Å²	52	3%	0.033	26%	0.263	C	S	.	.	H	α-helix	trans	-56	-45.5	176.1	0	0	0	0	0	111.7	F182 L185 L186 A189 L807 T814 D815	F182-A811 HydrophobicContact CE2-CB 4.48Å; L185-A811 HydrophobicContact CD1-CB 4.48Å; L185-A811 HydrophobicContact CD2-CB 4Å; L185-A811 HydrophobicContact CG-CB 3.87Å; L186-A811 WeakPolarHBondContact CD1-O 3.36Å; A189-A811 HydrophobicContact CB-CB 4.01Å; L807-A811 WeakPolarHBondContact O-CB 3.33Å; L807-A811 PolarHBondContact O-N 3.32Å; A811-T814 PolarHBondContact O-N 2.94Å; A811-D815 PolarHBondContact O-N 3.45Å
812	I	89.8	Confident	80	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-66.8	-44.7	178.2	-62.6	172.1	0	0	0	111.2	I63 L65 L186 A189 K190 V193 L221 T809 Q810 T814 D815 E816	I63-I812 HydrophobicContact CG2-CG2 3.6Å; L65-I812 HydrophobicContact CD2-CD1 3.98Å; L186-I812 HydrophobicContact CD1-CG1 4.48Å; A189-I812 HydrophobicContact CB-CD1 4.4Å; A189-I812 HydrophobicContact CB-CG1 4.14Å; K190-I812 HydrophobicContact CG-CD1 4.35Å; K190-I812 HydrophobicContact CG-CG1 4.08Å; V193-I812 HydrophobicContact CB-CD1 3.81Å; V193-I812 HydrophobicContact CG1-CD1 4.04Å; V193-I812 HydrophobicContact CG2-CD1 3.65Å; L221-I812 HydrophobicContact CD1-CD1 4.29Å; L221-I812 HydrophobicContact CD2-CB 4.48Å; L221-I812 HydrophobicContact CD2-CG2 4.35Å; T809-I812 PolarHBondContact O-N 2.96Å; Q810-I812 VanDerWaalsContact C-N 3.29Å; Q810-I812 PolarHBondContact O-N 3.1Å; I812-T814 VanDerWaalsContact C-N 3.32Å; I812-T814 PolarHBondContact O-N 2.73Å; I812-D815 WeakPolarHBondContact O-CB 3.33Å; I812-D815 PolarHBondContact O-N 3.14Å; I812-E816 PolarHBondContact O-N 3.09Å
813	R	86.6	Confident	77.3	Confident	82 Å²	82	60 Å²	60	31%	0.309	31%	0.309	S	S	.	.	H	α-helix	trans	-62.9	-33.5	177.8	-75.7	172.2	163.9	168.8	-10.4	113.8	E220 L221 T809 Q810 D815 E816 L817	E220-R813 VanDerWaalsContact CB-NH2 3.26Å; E220-R813 PolarHBondContact O-NH2 3.03Å; E220-R813 IonicContact OE2-CZ 3.37Å; E220-R813 VanDerWaalsContact OE2-CZ 3.22Å; E220-R813 IonicContact OE2-NH1 2.75Å; E220-R813 PolarHBondContact OE2-NH1 2.99Å; E220-R813 IonicContact OE2-NH2 3.18Å; E220-R813 PolarHBondContact OE2-NH2 3.26Å; L221-R813 HydrophobicContact CD2-CG 3.87Å; T809-R813 PolarHBondContact O-N 2.96Å; T809-R813 VanDerWaalsContact O-N 3.08Å; Q810-R813 PolarHBondContact O-N 3.26Å; R813-D815 VanDerWaalsContact C-N 3.34Å; R813-E816 PolarHBondContact O-N 3.31Å; R813-L817 WeakPolarHBondContact O-CG 3.31Å; R813-L817 PolarHBondContact O-N 2.97Å; R813-L817 VanDerWaalsContact O-N 3.15Å
814	T	83.5	Confident	74.6	Confident	42 Å²	42	59 Å²	59	26%	0.258	32%	0.316	S	S	.	.	H	α-helix	trans	-66.2	-38.3	177.3	-58	0	0	0	0	111.2	F182 Q810 A811 I812 L817 E818	F182-T814 HydrophobicContact CE2-CG2 4.39Å; F182-T814 HydrophobicContact CZ-CG2 3.92Å; Q810-T814 PolarHBondContact O-N 3.38Å; Q810-T814 PolarHBondContact O-OG1 3.09Å; A811-T814 PolarHBondContact O-N 2.94Å; I812-T814 VanDerWaalsContact C-N 3.32Å; I812-T814 PolarHBondContact O-N 2.73Å; T814-L817 PolarHBondContact O-N 2.66Å; T814-E818 PolarHBondContact O-N 3.03Å
815	D	78.8	Confident	71.9	Confident	36 Å²	36	62.6 Å²	62.6	19%	0.193	35%	0.346	C	S	.	.	H	α-helix	trans	-62	-40	173.8	-173.8	47.3	0	0	0	111.8	L186 K190 A811 I812 R813 L817 T819	L186-D815 HydrophobicContact CD1-CB 3.75Å; L186-D815 HydrophobicContact CD2-CB 3.85Å; L186-D815 HydrophobicContact CG-CB 4.47Å; K190-D815 VanDerWaalsContact CE-OD2 3.3Å; K190-D815 WeakPolarHBondContact CE-OD2 3.35Å; K190-D815 IonicContact NZ-OD2 2.65Å; K190-D815 PolarHBondContact NZ-OD2 3.41Å; A811-D815 PolarHBondContact O-N 3.45Å; I812-D815 WeakPolarHBondContact O-CB 3.33Å; I812-D815 PolarHBondContact O-N 3.14Å; R813-D815 VanDerWaalsContact C-N 3.34Å; D815-L817 PolarHBondContact O-N 3.09Å; D815-T819 WeakPolarHBondContact O-CB 3.37Å; D815-T819 VanDerWaalsContact O-CG2 3.31Å; D815-T819 WeakPolarHBondContact O-CG2 3.5Å; D815-T819 PolarHBondContact O-N 3.22Å; D815-T819 PolarHBondContact O-OG1 3.08Å
816	E	68.1	Low	69.2	Low	63 Å²	63	69.8 Å²	69.8	29%	0.294	38%	0.384	S	S	.	.	H	α-helix	trans	-64.3	-37.6	175	-65.5	178.4	147.5	0	0	113	I63 I812 R813 T819 T820	I63-E816 WeakPolarHBondContact CG2-OE1 3.27Å; I812-E816 PolarHBondContact O-N 3.09Å; R813-E816 PolarHBondContact O-N 3.31Å; E816-T819 WeakPolarHBondContact CA-OG1 3.45Å; E816-T819 PolarHBondContact O-OG1 3.33Å; E816-T820 WeakPolarHBondContact O-CB 3.48Å; E816-T820 WeakPolarHBondContact O-CG2 3.34Å; E816-T820 PolarHBondContact O-N 2.7Å; E816-T820 PolarHBondContact O-OG1 3.08Å
817	L	67.8	Low	66.4	Low	114 Å²	114	72.5 Å²	72.5	60%	0.597	41%	0.407	S	S	*	.	H	α-helix	trans	-71.2	-45.7	177	-69.5	170.4	0	0	0	111.8	R813 T814 D815 T819 T820 E821	R813-L817 WeakPolarHBondContact O-CG 3.31Å; R813-L817 PolarHBondContact O-N 2.97Å; R813-L817 VanDerWaalsContact O-N 3.15Å; T814-L817 PolarHBondContact O-N 2.66Å; D815-L817 PolarHBondContact O-N 3.09Å; L817-T819 VanDerWaalsContact C-N 3.34Å; L817-T819 PolarHBondContact O-N 3.42Å; L817-T820 PolarHBondContact O-N 3.27Å; L817-T820 PolarHBondContact O-OG1 3.16Å; L817-E821 PolarHBondContact O-N 2.65Å
818	E	67.6	Low	63.8	Low	123 Å²	123	79.5 Å²	79.5	58%	0.575	44%	0.441	S	S	*	.	H	α-helix	trans	-65	-36.8	177.8	-71	-175.4	-178.7	0	0	112.1	T814 G822	T814-E818 PolarHBondContact O-N 3.03Å; E818-G822 PolarHBondContact O-N 3.49Å; E818-G822 VanDerWaalsContact O-N 3.08Å
819	T	59.3	Low	61.1	Low	74 Å²	74	82.9 Å²	82.9	45%	0.454	48%	0.476	S	S	.	.	H	α-helix	trans	-71	-39.8	176.3	49.4	0	0	0	0	112.8	D815 E816 L817 G822 E823	D815-T819 WeakPolarHBondContact O-CB 3.37Å; D815-T819 VanDerWaalsContact O-CG2 3.31Å; D815-T819 WeakPolarHBondContact O-CG2 3.5Å; D815-T819 PolarHBondContact O-N 3.22Å; D815-T819 PolarHBondContact O-OG1 3.08Å; E816-T819 WeakPolarHBondContact CA-OG1 3.45Å; E816-T819 PolarHBondContact O-OG1 3.33Å; L817-T819 VanDerWaalsContact C-N 3.34Å; L817-T819 PolarHBondContact O-N 3.42Å; T819-G822 PolarHBondContact O-N 2.99Å; T819-E823 PolarHBondContact O-N 2.99Å; T819-E823 VanDerWaalsContact O-N 3.09Å
820	T	54.4	Low	58.3	Low	89 Å²	89	87.6 Å²	87.6	55%	0.546	52%	0.515	S	S	.	.	H	α-helix	trans	-69.9	-36	176.4	45.8	0	0	0	0	113.4	E816 L817 G824	E816-T820 WeakPolarHBondContact O-CB 3.48Å; E816-T820 WeakPolarHBondContact O-CG2 3.34Å; E816-T820 PolarHBondContact O-N 2.7Å; E816-T820 PolarHBondContact O-OG1 3.08Å; L817-T820 PolarHBondContact O-N 3.27Å; L817-T820 PolarHBondContact O-OG1 3.16Å; T820-G824 PolarHBondContact O-N 3.46Å; T820-G824 VanDerWaalsContact O-N 3.16Å
821	E	47.2	Very low	55.6	Low	156 Å²	156	88.8 Å²	88.8	73%	0.729	53%	0.53	S	S	*	.	H	α-helix	trans	-66.2	-37.3	170.9	-72.1	-166.2	166.6	0	0	112.1	L817 G824 A825	L817-E821 PolarHBondContact O-N 2.65Å; E821-G824 PolarHBondContact O-N 3.46Å; E821-A825 PolarHBondContact O-N 3.16Å
822	G	40	Very low	52.8	Low	36 Å²	36	97.4 Å²	97.4	37%	0.371	57%	0.57	S	S	.	*	H	α-helix	trans	-62.5	-42.6	176.2	0	0	0	0	0	114.1	E818 T819 A825 L826	E818-G822 PolarHBondContact O-N 3.49Å; E818-G822 VanDerWaalsContact O-N 3.08Å; T819-G822 PolarHBondContact O-N 2.99Å; G822-A825 PolarHBondContact O-N 3.3Å; G822-L826 PolarHBondContact O-N 3.41Å
823	E	40.2	Very low	50.1	Low	152 Å²	152	102.3 Å²	102.3	71%	0.71	61%	0.61	S	S	*	*	H	α-helix	trans	-69.8	-35.8	175.1	-68.8	-164.4	157.4	0	0	112.3	T819 A825 L826	T819-E823 PolarHBondContact O-N 2.99Å; T819-E823 VanDerWaalsContact O-N 3.09Å; E823-A825 VanDerWaalsContact C-N 3.35Å; E823-A825 PolarHBondContact O-N 3.08Å; E823-L826 PolarHBondContact O-N 3.04Å
824	G	38.7	Very low	47.6	Very low	46 Å²	46	107.5 Å²	107.5	47%	0.474	64%	0.638	S	S	.	*	H	α-helix	trans	-61.2	-39.5	173.8	0	0	0	0	0	113.3	T820 E821 L826 C827	T820-G824 PolarHBondContact O-N 3.46Å; T820-G824 VanDerWaalsContact O-N 3.16Å; E821-G824 PolarHBondContact O-N 3.46Å; G824-L826 VanDerWaalsContact C-N 3.35Å; G824-L826 PolarHBondContact O-N 3.48Å; G824-C827 PolarHBondContact O-N 3.34Å
825	A	39.3	Very low	45.2	Very low	77 Å²	77	119 Å²	119	64%	0.636	68%	0.684	S	S	*	*	H	α-helix	trans	-67.9	-30.8	177.7	0	0	0	0	0	113.4	E821 G822 E823 C827	E821-A825 PolarHBondContact O-N 3.16Å; G822-A825 PolarHBondContact O-N 3.3Å; E823-A825 VanDerWaalsContact C-N 3.35Å; E823-A825 PolarHBondContact O-N 3.08Å; A825-C827 VanDerWaalsContact C-N 3.34Å
826	L	39.9	Very low	43.5	Very low	153 Å²	153	123.1 Å²	123.1	80%	0.801	71%	0.709	S	S	*	*	H	α-helix	trans	-77	-16	180	-79.7	163.6	0	0	0	114	G822 E823 G824	G822-L826 PolarHBondContact O-N 3.41Å; E823-L826 PolarHBondContact O-N 3.04Å; G824-L826 VanDerWaalsContact C-N 3.35Å; G824-L826 PolarHBondContact O-N 3.48Å
827	C	35.5	Very low	42.2	Very low	119 Å²	119	126.3 Å²	126.3	80%	0.804	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-6.8	-180	-119.7	0	0	0	0	114.7	G824 A825	G824-C827 PolarHBondContact O-N 3.34Å; A825-C827 VanDerWaalsContact C-N 3.34Å
828	M	37	Very low	40.8	Very low	178 Å²	178	126.9 Å²	126.9	88%	0.877	74%	0.738	S	S	*	*	S	Bend	trans	-112.7	57.1	-175.4	-75.7	-77.9	-80.6	0	0	112.2
829	G	37.1	Very low	39.2	Very low	72 Å²	72	127.2 Å²	127.2	74%	0.742	75%	0.748	S	S	*	*			trans	-150.3	15.4	-168.5	0	0	0	0	0	118.7
830	A	34	Very low	37.9	Very low	100 Å²	100	130.5 Å²	130.5	83%	0.826	77%	0.766	S	S	*	*			trans	-147.9	62.8	-179.8	0	0	0	0	0	114.4
831	V	32.8	Very low	36.8	Very low	147 Å²	147	133.3 Å²	133.3	89%	0.891	78%	0.781	S	S	*	*			trans	-100.4	110.6	163.1	-178	0	0	0	0	108.6
832	Q	32.4	Very low	36.1	Very low	186 Å²	186	131.6 Å²	131.6	87%	0.869	78%	0.784	S	S	*	*			trans	-64.5	132.2	174.5	-72.2	175.8	-26.9	0	0	110.3	E834	Q832-E834 PolarHBondContact O-N 3.49Å
833	A	32.5	Very low	35.8	Very low	104 Å²	104	139 Å²	139	86%	0.86	82%	0.816	S	S	*	*			trans	-86.2	107.4	171.6	0	0	0	0	0	110.1
834	E	33.4	Very low	35.4	Very low	190 Å²	190	137.9 Å²	137.9	89%	0.888	83%	0.825	S	S	*	*			trans	-83.9	110	159.5	-76.8	-167.7	145.1	0	0	110	Q832	Q832-E834 PolarHBondContact O-N 3.49Å
835	K	32.7	Very low	35.1	Very low	283 Å²	283	146.3 Å²	146.3	100%	1.23	86%	0.857	S	S	*	*			trans	-171	0	138.3	-108.8	173.6	-173.6	178.7	0	112.7

Retrieved 835 of 835 residues in 381.9 ms (Link to these results)

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