A0A3Q0KNA6_SCHMA Loading...

Putative glutamate receptor, kainate

AlphaFold DB (A0A5K4EQ59), UniProt , Accession A0A3Q0KNA6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,009 aa.

						>A0A3Q0KNA6_SCHMA|A0A3Q0KNA6
MGFIMHNSITTKFWKSQTLYSIIIFYCSIHFSHGHIINWKANVHSYTLVTFGLPIYDQTFAKYAIEANISVAIVLLPITGDIEADFNAACSILNKTNRPIALVDSSWPYSSQSDDTFIFSASIKDENNEPAEYEQEIKNTLHNGLEQTAESEASERLRCYRRQLLMSLSSRLQLPLVTITDLEECPGSMIDSAIKWFSFSKTKHRSGNSHQRISNPYSPALVHSIGPSQILVAELLKNLIVLNEEIWKGFAIVYEHSGDFLKYRECLESLQTTALIRRWRENSFYKAHIIREIKHLEAFFLDLSAKSIEQFFQMMGDQEVNPNYAQYFIFNDGSLESLMNSLQRVKGNIALVRFKIPGISHESESESLHTQMIRSIIDHLSTAMNLAGNKLQVPEHVTCTPVRSSLLKTPKGLLVSHKNGPHLTYKNGQLLHTYINQVLHSRIGYIDSSKINPILDYGLELIHLKNGRLQQLADWSLKRGFVYKQPVETSFPQGGMKHMNKTFIVTTIEDPPFVIFEPYRQGVHLEGNDQWTGFAMELLQHLSKMNHFDYIIKPVSDKKFGTFDESKGKWDGLIGDLVYKKADLAVASFTITYDRERVIDFTTPFMSLSLSVIIQKSNSDPGLQFTAPLSNEVWISVGIAYFVVSLTLFLIGRVSPYEWYARHPCYPKIQNQFTMRNSFWFTAGSLMQQSSDIVPRATSTRIIGGIWWFFILVITSSYTANLAAFLTIDRMQADIESVEDLARQTKIKYGTIHGGSTYSFFKNSDIPTYQRMWNFMNQNKSLFVNKTEEGISRVLEGGYALILESTLNEYYAQRNCKLTPLGGLLDPRGYGIGLPIGNNGLRDLLSESILKLQKDQTLEKMRQYWLQRYNASVPCYLQSSHTNLPSRSKLTLAKMSSAFIGLGVGLFFGILVWITEIVVWVLKVRTNRNQSPITEIGEHFQKTLCHHRTKSEEIITISRRNSIDESSLTKYKEICKMNHTNTIGITTHNINSNDQLNNTSTTFHKVTSL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.8	Very low	24.9	Very low	249 Å²	249	154.5 Å²	154.5	100%	1.227	84%	0.838	S	S	*	*				0	97.2	0	-86	162.9	169.2	0	0	107.5
2	G	27.3	Very low	24.7	Very low	71 Å²	71	157.7 Å²	157.7	73%	0.732	84%	0.838	S	S	*	*			trans	-78.1	141.8	178.2	0	0	0	0	0	110.6
3	F	28.8	Very low	24.6	Very low	212 Å²	212	161.8 Å²	161.8	93%	0.93	84%	0.844	S	S	*	*				-167.1	119	122.9	-111.8	-81.9	0	0	0	108.1
4	I	25.2	Very low	24.5	Very low	157 Å²	157	164.6 Å²	164.6	81%	0.805	84%	0.839	S	S	*	*			trans	-69.4	129.9	169.6	-68.7	163	0	0	0	107.2
5	M	27.9	Very low	24.5	Very low	188 Å²	188	164.7 Å²	164.7	93%	0.926	83%	0.831	S	S	*	*			trans	-157.5	117.1	135.9	-108	-163.8	170.8	0	0	112
6	H	21.5	Very low	24.4	Very low	167 Å²	167	159.7 Å²	159.7	77%	0.773	82%	0.816	S	S	*	*			trans	-53.3	137.2	160.6	-108.8	-29.5	0	0	0	111.3
7	N	23.8	Very low	24.4	Very low	152 Å²	152	160.4 Å²	160.4	81%	0.813	82%	0.815	S	S	*	*				-172.8	124	107.9	-97.5	-26.5	0	0	0	113.1
8	S	21.8	Very low	24.4	Very low	106 Å²	106	158.3 Å²	158.3	74%	0.741	81%	0.812	S	S	*	*			trans	27.7	110.4	152	-73.1	0	0	0	0	121.3
9	I	22.6	Very low	24.5	Very low	170 Å²	170	157.7 Å²	157.7	87%	0.872	81%	0.81	S	S	*	*			trans	-73.7	133.6	146.8	-68.7	160.9	0	0	0	109.2
10	T	21.5	Very low	24.5	Very low	115 Å²	115	160.7 Å²	160.7	71%	0.706	81%	0.812	S	S	*	*			trans	-137	134.8	159.4	23.5	0	0	0	0	111.7
11	T	22.7	Very low	24.4	Very low	113 Å²	113	157.7 Å²	157.7	69%	0.693	81%	0.806	S	S	*	*			trans	85.4	109.7	145	48.8	0	0	0	0	121.9
12	K	22.6	Very low	24.2	Very low	192 Å²	192	153.2 Å²	153.2	84%	0.835	79%	0.785	S	S	*	*				117.9	101.9	110.6	-90.6	176.2	178.6	177.1	0	117.3
13	F	23.6	Very low	24.1	Very low	211 Å²	211	156.5 Å²	156.5	93%	0.925	78%	0.784	S	S	*	*			trans	-59	151.4	158.6	-94.7	-100.6	0	0	0	114
14	W	23.4	Very low	23.9	Very low	201 Å²	201	152.5 Å²	152.5	76%	0.761	77%	0.771	S	S	*	*			trans	-135.8	132.8	174.9	-106.7	56.7	0	0	0	111.7
15	K	23.3	Very low	23.8	Very low	166 Å²	166	153.5 Å²	153.5	72%	0.722	77%	0.77	S	S	*	*			trans	61.7	146.9	140.8	-73.6	-165.9	-175.5	175.9	0	119.7
16	S	24	Very low	23.6	Very low	85 Å²	85	153.9 Å²	153.9	59%	0.594	76%	0.763	S	S	*	*			cis	-178.5	144.9	12.3	152.7	0	0	0	0	110.2
17	Q	23.8	Very low	23.7	Very low	171 Å²	171	150.5 Å²	150.5	80%	0.799	76%	0.757	S	S	*	*			trans	41.2	137.9	144.1	-59.6	172.3	-32.1	0	0	120
18	T	24.2	Very low	23.7	Very low	123 Å²	123	147.7 Å²	147.7	76%	0.755	75%	0.749	S	S	*	*				175.7	161.7	56.9	-20.9	0	0	0	0	110.2
19	L	25.9	Very low	23.8	Very low	148 Å²	148	148.5 Å²	148.5	78%	0.775	74%	0.744	S	S	*	*			trans	96.7	99.4	160	-80.6	131.1	0	0	0	122
20	Y	25.2	Very low	23.8	Very low	216 Å²	216	149.1 Å²	149.1	85%	0.847	74%	0.743	S	S	*	*			trans	44.2	133.9	133.3	-78.4	-90.1	0	0	0	123.7
21	S	23	Very low	24	Very low	98 Å²	98	150.6 Å²	150.6	69%	0.685	74%	0.74	S	S	*	*			trans	106.2	106.1	152	-61.1	0	0	0	0	118.4
22	I	25.1	Very low	24.3	Very low	156 Å²	156	149.7 Å²	149.7	80%	0.8	74%	0.738	S	S	*	*			trans	53.8	65	148.6	-45.4	173.7	0	0	0	114.3	I24	I22-I24 VanDerWaalsContact C-N 3.34Å; I22-I24 HydrophobicContact CG2-CG1 4.44Å; I22-I24 PolarHBondContact O-N 2.96Å; I22-I24 VanDerWaalsContact O-N 3.09Å
23	I	25.2	Very low	24.7	Very low	139 Å²	139	149.1 Å²	149.1	71%	0.713	74%	0.738	S	S	*	*			trans	-79.7	91.9	163.4	-61	175.3	0	0	0	107.1	F25	I23-F25 VanDerWaalsContact C-N 3.26Å; I23-F25 HydrophobicContact CG2-CD2 4.13Å; I23-F25 HydrophobicContact CG2-CE2 4.45Å; I23-F25 HydrophobicContact CG2-CG 4.5Å; I23-F25 PolarHBondContact O-N 3.32Å
24	I	25	Very low	25.6	Very low	128 Å²	128	140.8 Å²	140.8	66%	0.656	71%	0.712	S	S	*	*			trans	-51	102.3	148.5	-66.1	168.8	0	0	0	104.8	I22 Y26	I22-I24 VanDerWaalsContact C-N 3.34Å; I22-I24 HydrophobicContact CG2-CG1 4.44Å; I22-I24 PolarHBondContact O-N 2.96Å; I22-I24 VanDerWaalsContact O-N 3.09Å; I24-Y26 HydrophobicContact CG2-CD2 4.18Å; I24-Y26 HydrophobicContact CG2-CE2 4.35Å; I24-Y26 PolarHBondContact O-N 2.95Å
25	F	23.9	Very low	26.6	Very low	178 Å²	178	137.9 Å²	137.9	78%	0.781	71%	0.706	S	S	*	*			trans	-61.9	89.9	173.7	-101.4	-93.4	0	0	0	107.3	I23 C27	I23-F25 VanDerWaalsContact C-N 3.26Å; I23-F25 HydrophobicContact CG2-CD2 4.13Å; I23-F25 HydrophobicContact CG2-CE2 4.45Å; I23-F25 HydrophobicContact CG2-CG 4.5Å; I23-F25 PolarHBondContact O-N 3.32Å; F25-C27 PolarHBondContact O-N 3.17Å
26	Y	23.9	Very low	27.7	Very low	196 Å²	196	134.1 Å²	134.1	77%	0.769	69%	0.693	S	S	*	*			trans	-61	84.9	151.9	-93.4	-90.8	0	0	0	105.8	I24 S28	I24-Y26 HydrophobicContact CG2-CD2 4.18Å; I24-Y26 HydrophobicContact CG2-CE2 4.35Å; I24-Y26 PolarHBondContact O-N 2.95Å; Y26-S28 PolarHBondContact O-N 3.36Å
27	C	23.3	Very low	29	Very low	97 Å²	97	133 Å²	133	66%	0.655	68%	0.68	S	S	*	*			trans	-69	75.6	162.2	-141.9	0	0	0	0	106.1	F25 I29	F25-C27 PolarHBondContact O-N 3.17Å; C27-I29 PolarHBondContact O-N 3.3Å
28	S	22.9	Very low	30.4	Very low	93 Å²	93	129.7 Å²	129.7	65%	0.65	67%	0.667	S	S	*	*			trans	-67.2	80.1	160.4	-72.6	0	0	0	0	105.8	Y26 H30	Y26-S28 PolarHBondContact O-N 3.36Å; S28-H30 VanDerWaalsContact C-N 3.29Å; S28-H30 PolarHBondContact O-N 3.06Å
29	I	24.4	Very low	31.8	Very low	123 Å²	123	127.8 Å²	127.8	63%	0.631	65%	0.647	S	S	*	*			trans	-55.1	102.1	166.9	-64.5	170.3	0	0	0	105	C27 F31	C27-I29 PolarHBondContact O-N 3.3Å; I29-F31 VanDerWaalsContact C-N 3.34Å; I29-F31 PolarHBondContact O-N 3.05Å
30	H	23.2	Very low	33.2	Very low	183 Å²	183	128.9 Å²	128.9	85%	0.847	65%	0.645	S	S	*	*			trans	-55.9	104.4	164	-105.5	-83.6	0	0	0	105.8	S28 S32	S28-H30 VanDerWaalsContact C-N 3.29Å; S28-H30 PolarHBondContact O-N 3.06Å; H30-S32 PolarHBondContact O-N 3.16Å
31	F	26	Very low	34.8	Very low	146 Å²	146	119.5 Å²	119.5	64%	0.64	61%	0.612	S	S	*	*			trans	-56.4	104.3	174.1	-82.9	-90.9	0	0	0	107.7	I29 H33 T79	I29-F31 VanDerWaalsContact C-N 3.34Å; I29-F31 PolarHBondContact O-N 3.05Å; F31-H33 PolarHBondContact O-N 3.44Å; F31-T79 HydrophobicContact CD1-CG2 4.46Å; F31-T79 HydrophobicContact CE1-CG2 3.86Å
32	S	28.7	Very low	36.4	Very low	94 Å²	94	119.7 Å²	119.7	66%	0.657	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-61.6	136.5	174.8	58.2	0	0	0	0	108	H30 G34	H30-S32 PolarHBondContact O-N 3.16Å; S32-G34 PolarHBondContact O-N 2.9Å; S32-G34 VanDerWaalsContact O-N 3.14Å
33	H	31.6	Very low	37.8	Very low	180 Å²	180	117.9 Å²	117.9	83%	0.833	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-53.6	122.3	175.2	-71.1	39.6	0	0	0	107.9	F31 H35	F31-H33 PolarHBondContact O-N 3.44Å; H33-H35 PolarHBondContact O-N 2.89Å
34	G	41.8	Very low	39.3	Very low	36 Å²	36	119.3 Å²	119.3	37%	0.371	61%	0.605	S	S	.	*	P	Polyproline II helix	trans	-46	136.7	-177.2	0	0	0	0	0	111.5	S32 I36	S32-G34 PolarHBondContact O-N 2.9Å; S32-G34 VanDerWaalsContact O-N 3.14Å; G34-I36 VanDerWaalsContact C-N 3.33Å; G34-I36 PolarHBondContact O-N 3.21Å
35	H	43.5	Very low	40.9	Very low	140 Å²	140	113.7 Å²	113.7	65%	0.648	58%	0.577	S	S	*	*			trans	-64.8	92.8	177.9	-72.8	-84.1	0	0	0	109.4	H33	H33-H35 PolarHBondContact O-N 2.89Å
36	I	47.6	Very low	42.7	Very low	86 Å²	86	107.4 Å²	107.4	44%	0.441	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	118	174.7	-62.6	164.7	0	0	0	107.6	G34 I92	G34-I36 VanDerWaalsContact C-N 3.33Å; G34-I36 PolarHBondContact O-N 3.21Å; I36-I92 HydrophobicContact CD1-CD1 4Å; I36-I92 HydrophobicContact CD1-CG1 4.05Å; I36-I92 HydrophobicContact CG1-CD1 4.09Å
37	I	51.4	Low	44.4	Very low	62 Å²	62	98.8 Å²	98.8	32%	0.318	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	112.8	174.8	-50.7	177.2	0	0	0	108.1	W39 Y56 I73 L75	I37-W39 VanDerWaalsContact CG2-NE1 3.28Å; I37-Y56 HydrophobicContact CD1-CE1 4.16Å; I37-I73 PolarHBondContact O-N 3.34Å; I37-L75 HydrophobicContact CD1-CD1 4.34Å
38	N	53.3	Low	46.2	Very low	101 Å²	101	94.2 Å²	94.2	54%	0.54	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	121	178.3	-75	-30.3	0	0	0	110.4
39	W	52.7	Low	48	Very low	84 Å²	84	89.9 Å²	89.9	32%	0.318	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	109.1	173.1	-63	79.2	0	0	0	108.5	I37 A61 I65 V71	I37-W39 VanDerWaalsContact CG2-NE1 3.28Å; W39-A61 HydrophobicContact CD2-CB 4.19Å; W39-A61 HydrophobicContact CG-CB 4.28Å; W39-I65 HydrophobicContact CB-CD1 4.11Å; W39-I65 HydrophobicContact CD2-CD1 4.33Å; W39-I65 HydrophobicContact CE3-CD1 3.62Å; W39-I65 HydrophobicContact CZ3-CD1 4.42Å; W39-V71 PolarHBondContact N-O 3.25Å; W39-V71 PolarHBondContact O-N 2.89Å; W39-V71 VanDerWaalsContact O-O 3.13Å
40	K	56.1	Low	49.6	Very low	171 Å²	171	84 Å²	84	74%	0.743	43%	0.425	S	S	*	.			trans	-101.3	123	-174.4	-70.9	-175.6	178.6	179.5	0	111.2
41	A	57.3	Low	51.2	Low	19 Å²	19	75.6 Å²	75.6	16%	0.157	39%	0.385	C	S	.	.			trans	-82.4	-169.8	159.9	0	0	0	0	0	110.4
42	N	57.4	Low	52.4	Low	101 Å²	101	69.2 Å²	69.2	54%	0.54	36%	0.361	S	S	.	.			trans	-46.1	148.1	179.6	-169	-20.1	0	0	0	112.7	H44 S45	N42-H44 PolarHBondContact O-N 3.43Å; N42-S45 VanDerWaalsContact O-CB 3.25Å; N42-S45 WeakPolarHBondContact O-CB 3.36Å; N42-S45 PolarHBondContact O-N 3.41Å; N42-S45 PolarHBondContact O-OG 2.91Å
43	V	55.6	Low	53.4	Low	118 Å²	118	65.2 Å²	65.2	72%	0.715	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-27.8	-175.1	-172.4	0	0	0	0	113	R98	V43-R98 PolarHBondContact O-NH2 2.61Å
44	H	55.4	Low	54.1	Low	169 Å²	169	58.3 Å²	58.3	78%	0.782	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	5	179.7	-59.7	79.4	0	0	0	114.3	N42	N42-H44 PolarHBondContact O-N 3.43Å
45	S	58.7	Low	54.3	Low	10 Å²	10	63.2 Å²	63.2	7%	0.07	32%	0.319	C	S	.	.			trans	-78.4	144.6	179.5	59.5	0	0	0	0	113.1	N42 N68 S70 R98	N42-S45 VanDerWaalsContact O-CB 3.25Å; N42-S45 WeakPolarHBondContact O-CB 3.36Å; N42-S45 PolarHBondContact O-N 3.41Å; N42-S45 PolarHBondContact O-OG 2.91Å; S45-N68 WeakPolarHBondContact CB-O 3.24Å; S45-S70 WeakPolarHBondContact OG-CB 3.48Å; S45-R98 PolarHBondContact O-NH1 3.06Å
46	Y	61.3	Low	54.4	Low	47 Å²	47	64.3 Å²	64.3	18%	0.184	32%	0.319	C	S	.	.			trans	-66.6	153.2	170	-51.9	-76.5	0	0	0	111	S70 P99 M384 G388 L391	Y46-S70 PolarHBondContact O-N 2.75Å; Y46-S70 PolarHBondContact O-OG 3.38Å; Y46-P99 HydrophobicContact CD1-CG 4.08Å; Y46-M384 WeakPolarHBondContact CB-SD 3.39Å; Y46-M384 HydrophobicContact CD2-CB 3.63Å; Y46-M384 HydrophobicContact CD2-CG 4.43Å; Y46-M384 HydrophobicContact CD2-SD 4.28Å; Y46-M384 HydrophobicContact CE2-CB 4.03Å; Y46-M384 HydrophobicContact CG-CB 4.01Å; Y46-M384 HydrophobicContact CG-CG 4.38Å; Y46-M384 HydrophobicContact CG-SD 3.98Å; Y46-G388 WeakPolarHBondContact OH-CA 3.4Å; Y46-L391 HydrophobicContact CE1-CB 4.46Å; Y46-L391 HydrophobicContact CE1-CD1 4.47Å
47	T	60.9	Low	54.8	Low	15 Å²	15	62.2 Å²	62.2	9%	0.092	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	111.7	-178.2	-62.7	0	0	0	0	112.3	V49 S70 A72 R98	T47-V49 HydrophobicContact CG2-CG2 4.43Å; T47-S70 CarbonylContact C-O 3.53Å; T47-S70 VanDerWaalsContact CA-O 3.29Å; T47-S70 WeakPolarHBondContact CA-O 3.43Å; T47-S70 VanDerWaalsContact CA-OG 3.27Å; T47-S70 WeakPolarHBondContact CA-OG 3.44Å; T47-S70 WeakPolarHBondContact CB-OG 3.48Å; T47-S70 PolarHBondContact OG1-OG 3.04Å; T47-A72 HydrophobicContact CG2-CB 4.3Å; T47-R98 WeakPolarHBondContact OG1-CD 3.32Å; T47-R98 PolarHBondContact OG1-NH1 3.45Å; T47-R98 VanDerWaalsContact OG1-NH1 3.11Å
48	L	61.7	Low	55.4	Low	1 Å²	1	64.7 Å²	64.7	1%	0.005	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	130.7	170.4	-157.2	78.4	0	0	0	109.6	T50 F60 I69 S70 V71 A72 A101 V103 L380	L48-T50 HydrophobicContact CD2-CG2 3.77Å; L48-T50 HydrophobicContact CG-CG2 4.2Å; L48-F60 HydrophobicContact CD2-CE1 3.62Å; L48-F60 HydrophobicContact CD2-CZ 3.41Å; L48-F60 VanDerWaalsContact CD2-CZ 3.41Å; L48-I69 HydrophobicContact CB-CG2 3.81Å; L48-S70 PolarHBondContact N-O 3.11Å; L48-V71 HydrophobicContact CB-CG2 4.38Å; L48-V71 WeakPolarHBondContact O-CA 3.42Å; L48-A72 PolarHBondContact O-N 3.1Å; L48-A101 HydrophobicContact CD1-CB 3.84Å; L48-V103 HydrophobicContact CD1-CG2 3.98Å; L48-V103 HydrophobicContact CD2-CG2 3.74Å; L48-V103 HydrophobicContact CG-CG2 3.9Å; L48-L380 HydrophobicContact CD1-CD1 3.79Å; L48-L380 HydrophobicContact CD2-CD1 4.06Å
49	V	59.4	Low	56.1	Low	1 Å²	1	61.8 Å²	61.8	1%	0.006	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	106.9	175.1	-175	0	0	0	0	107.5	T47 F51 A72 V74 I100 A101 L102 V103	T47-V49 HydrophobicContact CG2-CG2 4.43Å; V49-F51 HydrophobicContact CB-CE2 4.24Å; V49-F51 HydrophobicContact CG1-CD2 4.1Å; V49-F51 HydrophobicContact CG1-CE2 3.34Å; V49-F51 HydrophobicContact CG1-CZ 3.77Å; V49-A72 WeakPolarHBondContact CA-O 3.43Å; V49-A72 HydrophobicContact CG2-CB 4.32Å; V49-V74 HydrophobicContact CG1-CG2 3.62Å; V49-I100 HydrophobicContact CB-CG2 3.96Å; V49-I100 HydrophobicContact CG2-CG2 3.58Å; V49-A101 PolarHBondContact N-O 3.02Å; V49-L102 WeakPolarHBondContact O-CA 3.4Å; V49-V103 PolarHBondContact O-N 2.87Å
50	T	57.5	Low	56.9	Low	1 Å²	1	57.8 Å²	57.8	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	140.6	-178.8	64.4	0	0	0	0	110.4	L48 F60 V71 A72 V74 V103	L48-T50 HydrophobicContact CD2-CG2 3.77Å; L48-T50 HydrophobicContact CG-CG2 4.2Å; T50-F60 HydrophobicContact CG2-CD1 3.73Å; T50-F60 HydrophobicContact CG2-CE1 3.14Å; T50-F60 HydrophobicContact CG2-CE2 4.31Å; T50-F60 HydrophobicContact CG2-CZ 3.49Å; T50-F60 VanDerWaalsContact CG2-CZ 3.49Å; T50-V71 HydrophobicContact CG2-CG1 3.85Å; T50-A72 PolarHBondContact N-O 3.22Å; T50-A72 VanDerWaalsContact N-O 3.1Å; T50-V74 PolarHBondContact O-N 3.49Å; T50-V103 HydrophobicContact CG2-CB 3.89Å; T50-V103 HydrophobicContact CG2-CG2 4.3Å
51	F	57.2	Low	57.5	Low	5 Å²	5	49.7 Å²	49.7	2%	0.022	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	129.9	178.4	-71	-92.2	0	0	0	108.2	V49 V74 L76 A89 L102 V103 L165	V49-F51 HydrophobicContact CB-CE2 4.24Å; V49-F51 HydrophobicContact CG1-CD2 4.1Å; V49-F51 HydrophobicContact CG1-CE2 3.34Å; V49-F51 HydrophobicContact CG1-CZ 3.77Å; F51-V74 HydrophobicContact CD1-CB 3.66Å; F51-V74 HydrophobicContact CD1-CG1 4.14Å; F51-V74 HydrophobicContact CD1-CG2 4.21Å; F51-V74 HydrophobicContact CE1-CB 3.43Å; F51-V74 VanDerWaalsContact CE1-CB 3.43Å; F51-V74 HydrophobicContact CE1-CG1 3.67Å; F51-V74 HydrophobicContact CE1-CG2 3.65Å; F51-V74 HydrophobicContact CE2-CG2 4.31Å; F51-V74 HydrophobicContact CG-CB 4.44Å; F51-V74 HydrophobicContact CZ-CB 4.05Å; F51-V74 HydrophobicContact CZ-CG1 4.47Å; F51-V74 HydrophobicContact CZ-CG2 3.71Å; F51-L76 HydrophobicContact CD1-CD1 3.6Å; F51-L76 HydrophobicContact CD1-CG 3.96Å; F51-L76 HydrophobicContact CE1-CD1 3.7Å; F51-L76 HydrophobicContact CE1-CD2 4.5Å; F51-L76 HydrophobicContact CE1-CG 4.01Å; F51-A89 HydrophobicContact CE1-CB 3.96Å; F51-A89 HydrophobicContact CZ-CB 4.04Å; F51-L102 HydrophobicContact CD2-CD2 3.85Å; F51-L102 HydrophobicContact CE2-CD2 3.42Å; F51-L102 VanDerWaalsContact CE2-CD2 3.42Å; F51-L102 HydrophobicContact CZ-CD2 4.47Å; F51-V103 PolarHBondContact N-O 3.25Å; F51-L165 HydrophobicContact CB-CD1 4Å; F51-L165 HydrophobicContact CB-CD2 3.57Å; F51-L165 HydrophobicContact CB-CG 4.29Å; F51-L165 HydrophobicContact CD1-CD2 4.37Å; F51-L165 HydrophobicContact CD2-CD2 3.66Å; F51-L165 HydrophobicContact CE2-CD2 4.43Å; F51-L165 HydrophobicContact CG-CD2 3.63Å
52	G	52	Low	58.2	Low	12 Å²	12	54.3 Å²	54.3	12%	0.124	27%	0.271	C	S	.	.			trans	98.2	26.2	165.9	0	0	0	0	0	117.3	P54	G52-P54 WeakPolarHBondContact O-CD 3.43Å; G52-P54 VanDerWaalsContact O-N 3.1Å
53	L	49.1	Very low	59	Low	10 Å²	10	50.4 Å²	50.4	5%	0.052	25%	0.249	C	C	.	.			trans	-56.7	116.7	162.5	-69.7	166.8	0	0	0	108.6	I55 D57 F60 I73 S105	L53-I55 PolarHBondContact O-N 3.19Å; L53-D57 WeakPolarHBondContact CD1-O 3.4Å; L53-D57 HydrophobicContact CD2-CB 4.11Å; L53-F60 HydrophobicContact CD2-CB 3.79Å; L53-F60 HydrophobicContact CD2-CG 4.5Å; L53-I73 HydrophobicContact CD1-CD1 3.65Å; L53-I73 HydrophobicContact CD1-CG1 4.11Å; L53-I73 HydrophobicContact CD1-CG2 3.88Å; L53-S105 VanDerWaalsContact CD2-OG 3.23Å; L53-S105 WeakPolarHBondContact CD2-OG 3.4Å
54	P	46.4	Very low	59.9	Low	35 Å²	35	44.8 Å²	44.8	23%	0.227	22%	0.215	C	C	.	.	S	Bend	trans	-71.1	101.7	171.4	28.5	-26.9	0	0	0	106.6	G52	G52-P54 WeakPolarHBondContact O-CD 3.43Å; G52-P54 VanDerWaalsContact O-N 3.1Å
55	I	46.1	Very low	60.6	Low	139 Å²	139	39.6 Å²	39.6	71%	0.713	19%	0.192	S	C	*	.	S	Bend	trans	63.3	105.5	173.8	-54.5	155.8	0	0	0	113	L53 D57	L53-I55 PolarHBondContact O-N 3.19Å; I55-D57 PolarHBondContact O-N 3.49Å
56	Y	46.2	Very low	61.4	Low	163 Å²	163	44.3 Å²	44.3	64%	0.639	21%	0.213	S	C	*	.			trans	35.2	29.5	162.1	-75.4	-77.4	0	0	0	118.3	I37 Q58	I37-Y56 HydrophobicContact CD1-CE1 4.16Å; Y56-Q58 WeakPolarHBondContact O-CG 3.27Å; Y56-Q58 PolarHBondContact O-N 3.38Å
57	D	56	Low	62	Low	42 Å²	42	43.4 Å²	43.4	23%	0.225	22%	0.216	C	C	.	.			trans	-76.9	95.3	-176	-173.3	0.7	0	0	0	108.5	L53 I55 T59	L53-D57 WeakPolarHBondContact CD1-O 3.4Å; L53-D57 HydrophobicContact CD2-CB 4.11Å; I55-D57 PolarHBondContact O-N 3.49Å; D57-T59 PolarHBondContact O-N 3.42Å; D57-T59 VanDerWaalsContact OD1-CB 3.29Å; D57-T59 WeakPolarHBondContact OD1-CB 3.41Å; D57-T59 WeakPolarHBondContact OD1-CG2 3.3Å; D57-T59 PolarHBondContact OD1-N 3.4Å; D57-T59 PolarHBondContact OD1-OG1 3.42Å; D57-T59 PolarHBondContact OD2-OG1 3.25Å; D57-T59 VanDerWaalsContact OD2-OG1 3.05Å
58	Q	63.2	Low	62.5	Low	115 Å²	115	47.9 Å²	47.9	54%	0.537	24%	0.239	S	C	.	.	H	α-helix	trans	-71.1	-8.6	-178.4	-64	-174.8	3.3	0	0	111.7	Y56 F60 A61 K62	Y56-Q58 WeakPolarHBondContact O-CG 3.27Å; Y56-Q58 PolarHBondContact O-N 3.38Å; Q58-F60 PolarHBondContact O-N 3.32Å; Q58-A61 PolarHBondContact O-N 3.14Å; Q58-K62 VanDerWaalsContact O-CB 3.27Å; Q58-K62 WeakPolarHBondContact O-CB 3.48Å; Q58-K62 PolarHBondContact O-N 2.89Å
59	T	67.8	Low	62.9	Low	40 Å²	40	48 Å²	48	25%	0.245	24%	0.24	C	C	.	.	H	α-helix	trans	-60.9	-45.1	-178.5	55.9	0	0	0	0	111.9	D57 A61 K62 Y63	D57-T59 PolarHBondContact O-N 3.42Å; D57-T59 VanDerWaalsContact OD1-CB 3.29Å; D57-T59 WeakPolarHBondContact OD1-CB 3.41Å; D57-T59 WeakPolarHBondContact OD1-CG2 3.3Å; D57-T59 PolarHBondContact OD1-N 3.4Å; D57-T59 PolarHBondContact OD1-OG1 3.42Å; D57-T59 PolarHBondContact OD2-OG1 3.25Å; D57-T59 VanDerWaalsContact OD2-OG1 3.05Å; T59-A61 VanDerWaalsContact C-N 3.33Å; T59-A61 PolarHBondContact O-N 3.17Å; T59-K62 WeakPolarHBondContact O-CB 3.23Å; T59-K62 PolarHBondContact O-N 3.49Å; T59-Y63 WeakPolarHBondContact O-CD2 3.37Å; T59-Y63 PolarHBondContact O-N 3.39Å
60	F	70.3	Confident	63.2	Low	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.8	-47.1	176.6	-170	-76.4	0	0	0	111.3	L48 T50 L53 Q58 K62 A64 V71 V103 I373 I377	L48-F60 HydrophobicContact CD2-CE1 3.62Å; L48-F60 HydrophobicContact CD2-CZ 3.41Å; L48-F60 VanDerWaalsContact CD2-CZ 3.41Å; T50-F60 HydrophobicContact CG2-CD1 3.73Å; T50-F60 HydrophobicContact CG2-CE1 3.14Å; T50-F60 HydrophobicContact CG2-CE2 4.31Å; T50-F60 HydrophobicContact CG2-CZ 3.49Å; T50-F60 VanDerWaalsContact CG2-CZ 3.49Å; L53-F60 HydrophobicContact CD2-CB 3.79Å; L53-F60 HydrophobicContact CD2-CG 4.5Å; Q58-F60 PolarHBondContact O-N 3.32Å; F60-K62 VanDerWaalsContact C-N 3.35Å; F60-K62 PolarHBondContact O-N 3.23Å; F60-A64 HydrophobicContact CE1-CB 4.29Å; F60-A64 VanDerWaalsContact O-CB 3.26Å; F60-A64 WeakPolarHBondContact O-CB 3.33Å; F60-A64 PolarHBondContact O-N 3.34Å; F60-V71 HydrophobicContact CD1-CG1 4.29Å; F60-V71 HydrophobicContact CE1-CG1 4.18Å; F60-V71 HydrophobicContact CE1-CG2 4.15Å; F60-V103 HydrophobicContact CE2-CG1 3.98Å; F60-V103 HydrophobicContact CZ-CG1 4.22Å; F60-I373 HydrophobicContact CB-CG2 4.19Å; F60-I373 HydrophobicContact CD2-CG1 4.32Å; F60-I373 HydrophobicContact CD2-CG2 3.69Å; F60-I373 HydrophobicContact CE2-CG2 4.39Å; F60-I373 HydrophobicContact CG-CG2 4.3Å; F60-I377 HydrophobicContact CD1-CD1 4.37Å; F60-I377 HydrophobicContact CD2-CD1 4.02Å; F60-I377 HydrophobicContact CD2-CG1 4.5Å; F60-I377 HydrophobicContact CE1-CD1 4.22Å; F60-I377 HydrophobicContact CE1-CG1 4.37Å; F60-I377 HydrophobicContact CE2-CD1 3.91Å; F60-I377 HydrophobicContact CE2-CG1 3.9Å; F60-I377 HydrophobicContact CG-CD1 4.22Å; F60-I377 HydrophobicContact CZ-CD1 3.99Å; F60-I377 HydrophobicContact CZ-CG1 3.8Å; F60-I377 WeakPolarHBondContact O-CD1 3.48Å
61	A	68.1	Low	63.4	Low	1 Å²	1	48.2 Å²	48.2	1%	0.008	24%	0.241	C	C	.	.	H	α-helix	trans	-61.3	-45.4	178.5	0	0	0	0	0	111.2	W39 Q58 T59 A64 I65 I73	W39-A61 HydrophobicContact CD2-CB 4.19Å; W39-A61 HydrophobicContact CG-CB 4.28Å; Q58-A61 PolarHBondContact O-N 3.14Å; T59-A61 VanDerWaalsContact C-N 3.33Å; T59-A61 PolarHBondContact O-N 3.17Å; A61-A64 PolarHBondContact O-N 3.43Å; A61-I65 WeakPolarHBondContact O-CD1 3.3Å; A61-I65 WeakPolarHBondContact O-CG1 3.41Å; A61-I65 PolarHBondContact O-N 2.94Å; A61-I73 HydrophobicContact CB-CD1 4.03Å
62	K	72	Confident	63.6	Low	115 Å²	115	48.4 Å²	48.4	50%	0.5	24%	0.243	S	C	.	.	H	α-helix	trans	-57	-57	179.6	177.6	-174.8	171.9	-171.3	0	111.1	Q58 T59 F60 A64 I65 E66	Q58-K62 VanDerWaalsContact O-CB 3.27Å; Q58-K62 WeakPolarHBondContact O-CB 3.48Å; Q58-K62 PolarHBondContact O-N 2.89Å; T59-K62 WeakPolarHBondContact O-CB 3.23Å; T59-K62 PolarHBondContact O-N 3.49Å; F60-K62 VanDerWaalsContact C-N 3.35Å; F60-K62 PolarHBondContact O-N 3.23Å; K62-A64 VanDerWaalsContact C-N 3.28Å; K62-A64 PolarHBondContact O-N 2.83Å; K62-I65 PolarHBondContact O-N 2.93Å; K62-E66 WeakPolarHBondContact CE-OE1 3.39Å; K62-E66 WeakPolarHBondContact O-CG 3.4Å; K62-E66 PolarHBondContact O-N 3.44Å
63	Y	75.1	Confident	63.9	Low	19 Å²	19	48.5 Å²	48.5	8%	0.075	24%	0.241	C	C	.	.	H	α-helix	trans	-64.7	-33.9	-178.3	-68.7	-57.2	0	0	0	112.2	T59 E66 A67 E366 T370 I373 R374	T59-Y63 WeakPolarHBondContact O-CD2 3.37Å; T59-Y63 PolarHBondContact O-N 3.39Å; Y63-E66 WeakPolarHBondContact CD1-OE2 3.45Å; Y63-E66 PolarHBondContact O-N 3.46Å; Y63-A67 WeakPolarHBondContact O-CB 3.42Å; Y63-A67 PolarHBondContact O-N 2.97Å; Y63-E366 PolarHBondContact OH-OE1 3.24Å; Y63-T370 HydrophobicContact CE2-CG2 3.85Å; Y63-T370 WeakPolarHBondContact OH-CG2 3.4Å; Y63-I373 HydrophobicContact CD2-CG2 4.02Å; Y63-R374 HydrophobicContact CD1-CG 4.36Å
64	A	72.6	Confident	64.3	Low	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-68.3	-39.4	177.6	0	0	0	0	0	111.8	F60 A61 K62 A67 N68 I69 V71 I377	F60-A64 HydrophobicContact CE1-CB 4.29Å; F60-A64 VanDerWaalsContact O-CB 3.26Å; F60-A64 WeakPolarHBondContact O-CB 3.33Å; F60-A64 PolarHBondContact O-N 3.34Å; A61-A64 PolarHBondContact O-N 3.43Å; K62-A64 VanDerWaalsContact C-N 3.28Å; K62-A64 PolarHBondContact O-N 2.83Å; A64-A67 CarbonylContact O-C 3.51Å; A64-A67 PolarHBondContact O-N 3.22Å; A64-N68 PolarHBondContact O-N 3.34Å; A64-I69 CarbonylContact C-O 3.5Å; A64-I69 HydrophobicContact CB-CB 4.33Å; A64-I69 WeakPolarHBondContact O-CA 3.32Å; A64-I69 WeakPolarHBondContact O-CB 3.41Å; A64-I69 PolarHBondContact O-N 3.13Å; A64-V71 HydrophobicContact CB-CG2 3.16Å; A64-I377 HydrophobicContact CB-CD1 4.17Å; A64-I377 HydrophobicContact CB-CG2 4.41Å
65	I	70.6	Confident	64.6	Low	60 Å²	60	49 Å²	49	31%	0.308	24%	0.242	S	C	.	.	H	α-helix	trans	-63.3	-44	173.3	-66.8	164.2	0	0	0	110.4	W39 A61 K62 A67 N68	W39-I65 HydrophobicContact CB-CD1 4.11Å; W39-I65 HydrophobicContact CD2-CD1 4.33Å; W39-I65 HydrophobicContact CE3-CD1 3.62Å; W39-I65 HydrophobicContact CZ3-CD1 4.42Å; A61-I65 WeakPolarHBondContact O-CD1 3.3Å; A61-I65 WeakPolarHBondContact O-CG1 3.41Å; A61-I65 PolarHBondContact O-N 2.94Å; K62-I65 PolarHBondContact O-N 2.93Å; I65-A67 VanDerWaalsContact C-N 3.25Å; I65-A67 PolarHBondContact O-N 2.92Å; I65-N68 PolarHBondContact O-N 3.5Å
66	E	74.9	Confident	64.8	Low	110 Å²	110	43.6 Å²	43.6	51%	0.514	21%	0.214	S	C	.	.	H	α-helix	trans	-59	-36.9	174.9	-72	173.1	-172.1	0	0	112	K62 Y63 N68	K62-E66 WeakPolarHBondContact CE-OE1 3.39Å; K62-E66 WeakPolarHBondContact O-CG 3.4Å; K62-E66 PolarHBondContact O-N 3.44Å; Y63-E66 WeakPolarHBondContact CD1-OE2 3.45Å; Y63-E66 PolarHBondContact O-N 3.46Å; E66-N68 PolarHBondContact O-N 2.8Å
67	A	74	Confident	65.1	Low	28 Å²	28	39.9 Å²	39.9	23%	0.231	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	10.3	176	0	0	0	0	0	114.3	Y63 A64 I65 I69 I377 S381	Y63-A67 WeakPolarHBondContact O-CB 3.42Å; Y63-A67 PolarHBondContact O-N 2.97Å; A64-A67 CarbonylContact O-C 3.51Å; A64-A67 PolarHBondContact O-N 3.22Å; I65-A67 VanDerWaalsContact C-N 3.25Å; I65-A67 PolarHBondContact O-N 2.92Å; A67-I69 VanDerWaalsContact C-N 3.28Å; A67-I69 HydrophobicContact CB-CD1 4.12Å; A67-I69 HydrophobicContact CB-CG1 4.35Å; A67-I69 PolarHBondContact O-N 3.4Å; A67-I377 HydrophobicContact CB-CG2 3.58Å; A67-S381 PolarHBondContact O-OG 3.39Å
68	N	71.8	Confident	65	Low	109 Å²	109	38.5 Å²	38.5	58%	0.583	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	32.2	-176.1	-77.9	-40.7	0	0	0	114.7	S45 A64 I65 E66	S45-N68 WeakPolarHBondContact CB-O 3.24Å; A64-N68 PolarHBondContact O-N 3.34Å; I65-N68 PolarHBondContact O-N 3.5Å; E66-N68 PolarHBondContact O-N 2.8Å
69	I	69.9	Low	64.6	Low	3 Å²	3	34.9 Å²	34.9	2%	0.015	19%	0.189	C	C	.	.			trans	-103.4	130.4	175.7	-60.2	168.5	0	0	0	108.8	L48 A64 A67 V71 I377 M384	L48-I69 HydrophobicContact CB-CG2 3.81Å; A64-I69 CarbonylContact C-O 3.5Å; A64-I69 HydrophobicContact CB-CB 4.33Å; A64-I69 WeakPolarHBondContact O-CA 3.32Å; A64-I69 WeakPolarHBondContact O-CB 3.41Å; A64-I69 PolarHBondContact O-N 3.13Å; A67-I69 VanDerWaalsContact C-N 3.28Å; A67-I69 HydrophobicContact CB-CD1 4.12Å; A67-I69 HydrophobicContact CB-CG1 4.35Å; A67-I69 PolarHBondContact O-N 3.4Å; I69-V71 HydrophobicContact CG2-CG2 4.44Å; I69-I377 HydrophobicContact CD1-CG2 4.19Å; I69-M384 HydrophobicContact CB-CE 4.34Å; I69-M384 HydrophobicContact CD1-CE 3.33Å; I69-M384 HydrophobicContact CG1-CE 3.49Å; I69-M384 VanDerWaalsContact CG1-CE 3.49Å; I69-M384 HydrophobicContact CG2-CE 3.89Å
70	S	65.7	Low	63.9	Low	3 Å²	3	33.6 Å²	33.6	2%	0.021	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	134.1	170.3	60.1	0	0	0	0	110.1	S45 Y46 T47 L48 R98	S45-S70 WeakPolarHBondContact OG-CB 3.48Å; Y46-S70 PolarHBondContact O-N 2.75Å; Y46-S70 PolarHBondContact O-OG 3.38Å; T47-S70 CarbonylContact C-O 3.53Å; T47-S70 VanDerWaalsContact CA-O 3.29Å; T47-S70 WeakPolarHBondContact CA-O 3.43Å; T47-S70 VanDerWaalsContact CA-OG 3.27Å; T47-S70 WeakPolarHBondContact CA-OG 3.44Å; T47-S70 WeakPolarHBondContact CB-OG 3.48Å; T47-S70 PolarHBondContact OG1-OG 3.04Å; L48-S70 PolarHBondContact N-O 3.11Å; S70-R98 PolarHBondContact OG-NH1 2.78Å
71	V	63.1	Low	63.4	Low	3 Å²	3	36.8 Å²	36.8	2%	0.018	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	124.8	-178.8	-174.4	0	0	0	0	110.3	W39 L48 T50 F60 A64 I69 I73	W39-V71 PolarHBondContact N-O 3.25Å; W39-V71 PolarHBondContact O-N 2.89Å; W39-V71 VanDerWaalsContact O-O 3.13Å; L48-V71 HydrophobicContact CB-CG2 4.38Å; L48-V71 WeakPolarHBondContact O-CA 3.42Å; T50-V71 HydrophobicContact CG2-CG1 3.85Å; F60-V71 HydrophobicContact CD1-CG1 4.29Å; F60-V71 HydrophobicContact CE1-CG1 4.18Å; F60-V71 HydrophobicContact CE1-CG2 4.15Å; A64-V71 HydrophobicContact CB-CG2 3.16Å; I69-V71 HydrophobicContact CG2-CG2 4.44Å; V71-I73 HydrophobicContact CG1-CG1 3.82Å
72	A	61.5	Low	63.1	Low	9 Å²	9	37.2 Å²	37.2	7%	0.074	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	106.2	165.4	0	0	0	0	0	108	T47 L48 V49 T50	T47-A72 HydrophobicContact CG2-CB 4.3Å; L48-A72 PolarHBondContact O-N 3.1Å; V49-A72 WeakPolarHBondContact CA-O 3.43Å; V49-A72 HydrophobicContact CG2-CB 4.32Å; T50-A72 PolarHBondContact N-O 3.22Å; T50-A72 VanDerWaalsContact N-O 3.1Å
73	I	58.4	Low	62.6	Low	14 Å²	14	34.7 Å²	34.7	7%	0.072	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	117.9	176.5	-61.1	171.8	0	0	0	107.5	I37 L53 A61 V71 L75	I37-I73 PolarHBondContact O-N 3.34Å; L53-I73 HydrophobicContact CD1-CD1 3.65Å; L53-I73 HydrophobicContact CD1-CG1 4.11Å; L53-I73 HydrophobicContact CD1-CG2 3.88Å; A61-I73 HydrophobicContact CB-CD1 4.03Å; V71-I73 HydrophobicContact CG1-CG1 3.82Å; I73-L75 HydrophobicContact CG2-CD2 4.43Å; I73-L75 HydrophobicContact CG2-CG 4.29Å
74	V	55.9	Low	62	Low	6 Å²	6	35.7 Å²	35.7	4%	0.036	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	97.7	172.5	-165.7	0	0	0	0	108.7	V49 T50 F51 L76 I92	V49-V74 HydrophobicContact CG1-CG2 3.62Å; T50-V74 PolarHBondContact O-N 3.49Å; F51-V74 HydrophobicContact CD1-CB 3.66Å; F51-V74 HydrophobicContact CD1-CG1 4.14Å; F51-V74 HydrophobicContact CD1-CG2 4.21Å; F51-V74 HydrophobicContact CE1-CB 3.43Å; F51-V74 VanDerWaalsContact CE1-CB 3.43Å; F51-V74 HydrophobicContact CE1-CG1 3.67Å; F51-V74 HydrophobicContact CE1-CG2 3.65Å; F51-V74 HydrophobicContact CE2-CG2 4.31Å; F51-V74 HydrophobicContact CG-CB 4.44Å; F51-V74 HydrophobicContact CZ-CB 4.05Å; F51-V74 HydrophobicContact CZ-CG1 4.47Å; F51-V74 HydrophobicContact CZ-CG2 3.71Å; V74-L76 HydrophobicContact CG1-CD2 3.56Å; V74-L76 HydrophobicContact CG1-CG 3.68Å; V74-L76 PolarHBondContact O-N 3.34Å; V74-I92 HydrophobicContact CB-CD1 3.95Å; V74-I92 HydrophobicContact CG1-CD1 3.34Å; V74-I92 HydrophobicContact CG2-CD1 3.37Å; V74-I92 HydrophobicContact CG2-CG2 4.28Å
75	L	52.5	Low	61.6	Low	50 Å²	50	35.8 Å²	35.8	26%	0.262	21%	0.205	S	C	.	.			trans	-72.1	85.7	162.3	-65.4	171	0	0	0	107.1	I37 I73 P77	I37-L75 HydrophobicContact CD1-CD1 4.34Å; I73-L75 HydrophobicContact CG2-CD2 4.43Å; I73-L75 HydrophobicContact CG2-CG 4.29Å; L75-P77 WeakPolarHBondContact O-CD 3.14Å
76	L	51.3	Low	61.6	Low	25 Å²	25	33 Å²	33	13%	0.131	19%	0.191	C	C	.	.			trans	-73	109.5	167.5	-68.2	177.7	0	0	0	107.3	F51 V74 I78 A88 L164	F51-L76 HydrophobicContact CD1-CD1 3.6Å; F51-L76 HydrophobicContact CD1-CG 3.96Å; F51-L76 HydrophobicContact CE1-CD1 3.7Å; F51-L76 HydrophobicContact CE1-CD2 4.5Å; F51-L76 HydrophobicContact CE1-CG 4.01Å; V74-L76 HydrophobicContact CG1-CD2 3.56Å; V74-L76 HydrophobicContact CG1-CG 3.68Å; V74-L76 PolarHBondContact O-N 3.34Å; L76-I78 PolarHBondContact O-N 3.32Å; L76-A88 HydrophobicContact CD2-CB 3.62Å; L76-L164 HydrophobicContact CD1-CD2 4.01Å
77	P	51.5	Low	61.3	Low	86 Å²	86	30.3 Å²	30.3	56%	0.558	18%	0.179	S	C	*	.			trans	-61.3	112.6	158.1	27.5	-30.9	0	0	0	105.6	L75 T79	L75-P77 WeakPolarHBondContact O-CD 3.14Å; P77-T79 PolarHBondContact O-N 2.94Å
78	I	55	Low	60.9	Low	12 Å²	12	31.1 Å²	31.1	6%	0.062	19%	0.186	C	C	.	.			trans	-67.6	108.8	175.7	-71.4	163.3	0	0	0	106.2	L76 L157 Y160 R161 F197	L76-I78 PolarHBondContact O-N 3.32Å; I78-L157 HydrophobicContact CB-CD2 4.13Å; I78-L157 HydrophobicContact CD1-CD2 3.62Å; I78-L157 HydrophobicContact CG2-CD2 4.04Å; I78-Y160 HydrophobicContact CB-CE1 4.4Å; I78-Y160 HydrophobicContact CD1-CD1 4Å; I78-Y160 HydrophobicContact CD1-CE1 4.42Å; I78-Y160 HydrophobicContact CG1-CD1 4.24Å; I78-Y160 HydrophobicContact CG1-CE1 4.16Å; I78-Y160 HydrophobicContact CG2-CD1 3.65Å; I78-Y160 HydrophobicContact CG2-CE1 3.4Å; I78-Y160 VanDerWaalsContact CG2-CE1 3.4Å; I78-R161 HydrophobicContact CD1-CG 3.31Å; I78-R161 HydrophobicContact CG1-CG 4.44Å; I78-F197 HydrophobicContact CG2-CD2 4.24Å; I78-F197 HydrophobicContact CG2-CE2 4.21Å; I78-F197 WeakPolarHBondContact O-CD1 3.4Å; I78-F197 VanDerWaalsContact O-CE1 3.26Å; I78-F197 WeakPolarHBondContact O-CE1 3.38Å
79	T	54.8	Low	60.8	Low	40 Å²	40	25.9 Å²	25.9	25%	0.245	16%	0.158	C	C	.	.			trans	-80.8	-13.1	-179.4	60.5	0	0	0	0	111.6	F31 P77 D81 D85 F197	F31-T79 HydrophobicContact CD1-CG2 4.46Å; F31-T79 HydrophobicContact CE1-CG2 3.86Å; P77-T79 PolarHBondContact O-N 2.94Å; T79-D81 PolarHBondContact O-N 3.46Å; T79-D81 PolarHBondContact OG1-N 2.83Å; T79-D81 VanDerWaalsContact OG1-N 3.17Å; T79-D81 PolarHBondContact OG1-O 3.27Å; T79-D85 PolarHBondContact N-OD1 3.18Å; T79-D85 VanDerWaalsContact N-OD1 3.07Å; T79-D85 PolarHBondContact OG1-OD1 2.85Å; T79-F197 WeakPolarHBondContact O-CB 3.17Å
80	G	53.6	Low	60.8	Low	13 Å²	13	26.2 Å²	26.2	13%	0.134	16%	0.16	C	C	.	.	S	Bend	trans	75.5	-10.3	-166.1	0	0	0	0	0	113.1	I82	G80-I82 PolarHBondContact O-N 3.47Å
81	D	59.4	Low	61	Low	66 Å²	66	28.9 Å²	28.9	35%	0.353	18%	0.179	S	C	.	.			trans	-89.5	97.4	168.3	-168.1	-11.2	0	0	0	109	T79 E83 A84 D85 K408	T79-D81 PolarHBondContact O-N 3.46Å; T79-D81 PolarHBondContact OG1-N 2.83Å; T79-D81 VanDerWaalsContact OG1-N 3.17Å; T79-D81 PolarHBondContact OG1-O 3.27Å; D81-E83 PolarHBondContact O-N 3.46Å; D81-E83 VanDerWaalsContact O-N 3.07Å; D81-E83 WeakPolarHBondContact OD1-CB 3.34Å; D81-E83 PolarHBondContact OD1-N 3.3Å; D81-E83 VanDerWaalsContact OD1-N 3.17Å; D81-A84 HydrophobicContact CB-CB 4Å; D81-A84 WeakPolarHBondContact O-CB 3.43Å; D81-A84 PolarHBondContact O-N 3.38Å; D81-D85 PolarHBondContact O-N 3.24Å; D81-K408 IonicContact OD1-NZ 2.88Å; D81-K408 PolarHBondContact OD1-NZ 2.69Å; D81-K408 IonicContact OD2-NZ 2.78Å; D81-K408 PolarHBondContact OD2-NZ 3.27Å
82	I	61.6	Low	61.1	Low	10 Å²	10	29.7 Å²	29.7	5%	0.051	18%	0.183	C	C	.	.	H	α-helix	trans	-48.5	-39.1	178.5	-67.8	162.8	0	0	0	111	G80 D85 F86 Y160 I194 I213 L406 L414	G80-I82 PolarHBondContact O-N 3.47Å; I82-D85 PolarHBondContact O-N 3.17Å; I82-F86 HydrophobicContact CG2-CD2 3.46Å; I82-F86 VanDerWaalsContact CG2-CD2 3.46Å; I82-F86 HydrophobicContact CG2-CE2 3.54Å; I82-F86 WeakPolarHBondContact O-CB 3.13Å; I82-F86 VanDerWaalsContact O-CD2 3.23Å; I82-F86 WeakPolarHBondContact O-CD2 3.34Å; I82-F86 PolarHBondContact O-N 2.99Å; I82-Y160 WeakPolarHBondContact CA-OH 3.21Å; I82-Y160 HydrophobicContact CD1-CE2 4.16Å; I82-Y160 HydrophobicContact CG1-CE2 3.64Å; I82-Y160 WeakPolarHBondContact CG1-OH 3.43Å; I82-I194 HydrophobicContact CD1-CD1 3.98Å; I82-I213 HydrophobicContact CD1-CD1 4.2Å; I82-L406 HydrophobicContact CG2-CD2 4.39Å; I82-L414 HydrophobicContact CB-CD1 3.49Å; I82-L414 VanDerWaalsContact CB-CD1 3.49Å; I82-L414 HydrophobicContact CD1-CD1 3.49Å; I82-L414 VanDerWaalsContact CD1-CD1 3.49Å; I82-L414 HydrophobicContact CG1-CD1 4.04Å; I82-L414 HydrophobicContact CG2-CD1 3.59Å
83	E	62.1	Low	61.6	Low	63 Å²	63	29.2 Å²	29.2	29%	0.294	18%	0.18	S	C	.	.	H	α-helix	trans	-65.2	-42	179.3	-171.1	-175.3	170.8	0	0	112.4	D81 N87 K408	D81-E83 PolarHBondContact O-N 3.46Å; D81-E83 VanDerWaalsContact O-N 3.07Å; D81-E83 WeakPolarHBondContact OD1-CB 3.34Å; D81-E83 PolarHBondContact OD1-N 3.3Å; D81-E83 VanDerWaalsContact OD1-N 3.17Å; E83-N87 WeakPolarHBondContact O-CB 3.5Å; E83-N87 PolarHBondContact O-N 3.47Å; E83-N87 PolarHBondContact O-ND2 3.36Å; E83-K408 WeakPolarHBondContact OE2-CE 3.2Å; E83-K408 IonicContact OE2-NZ 3.74Å; E83-K408 PolarHBondContact OE2-NZ 3.01Å
84	A	62.3	Low	62.1	Low	39 Å²	39	32.5 Å²	32.5	32%	0.322	20%	0.197	S	C	.	.	H	α-helix	trans	-66.4	-43.9	177.3	0	0	0	0	0	111	D81 F86 N87 A88	D81-A84 HydrophobicContact CB-CB 4Å; D81-A84 WeakPolarHBondContact O-CB 3.43Å; D81-A84 PolarHBondContact O-N 3.38Å; A84-F86 PolarHBondContact O-N 3.49Å; A84-N87 PolarHBondContact O-N 3.46Å; A84-A88 WeakPolarHBondContact O-CB 3.47Å; A84-A88 PolarHBondContact O-N 2.95Å
85	D	64.6	Low	62.6	Low	3 Å²	3	39.9 Å²	39.9	2%	0.016	23%	0.229	C	C	.	.	H	α-helix	trans	-62.9	-42.7	178.5	-61.2	-13.5	0	0	0	110.9	T79 D81 I82 A88 A89 Y160 L164	T79-D85 PolarHBondContact N-OD1 3.18Å; T79-D85 VanDerWaalsContact N-OD1 3.07Å; T79-D85 PolarHBondContact OG1-OD1 2.85Å; D81-D85 PolarHBondContact O-N 3.24Å; I82-D85 PolarHBondContact O-N 3.17Å; D85-A88 PolarHBondContact O-N 3.26Å; D85-A89 PolarHBondContact O-N 2.59Å; D85-A89 VanDerWaalsContact O-N 3.11Å; D85-Y160 WeakPolarHBondContact OD2-CE1 3.39Å; D85-Y160 PolarHBondContact OD2-OH 2.9Å; D85-L164 HydrophobicContact CB-CD2 4.07Å
86	F	69.7	Low	63.3	Low	2 Å²	2	38.6 Å²	38.6	1%	0.009	22%	0.223	C	C	.	.	H	α-helix	trans	-63	-44.7	173.4	-95.4	-77.1	0	0	0	112.5	I82 A84 A88 A89 C90 L164 S167 L168 I213 V402 L406	I82-F86 HydrophobicContact CG2-CD2 3.46Å; I82-F86 VanDerWaalsContact CG2-CD2 3.46Å; I82-F86 HydrophobicContact CG2-CE2 3.54Å; I82-F86 WeakPolarHBondContact O-CB 3.13Å; I82-F86 VanDerWaalsContact O-CD2 3.23Å; I82-F86 WeakPolarHBondContact O-CD2 3.34Å; I82-F86 PolarHBondContact O-N 2.99Å; A84-F86 PolarHBondContact O-N 3.49Å; F86-A88 VanDerWaalsContact C-N 3.32Å; F86-A88 PolarHBondContact O-N 3.49Å; F86-A89 PolarHBondContact O-N 3.49Å; F86-C90 VanDerWaalsContact O-CB 3.26Å; F86-C90 WeakPolarHBondContact O-CB 3.43Å; F86-C90 PolarHBondContact O-N 2.91Å; F86-C90 PolarHBondContact O-SG 2.84Å; F86-L164 HydrophobicContact CD2-CD1 3.6Å; F86-L164 HydrophobicContact CE1-CD1 4.39Å; F86-L164 HydrophobicContact CE2-CD1 3.35Å; F86-L164 HydrophobicContact CG-CD1 4.2Å; F86-L164 HydrophobicContact CZ-CD1 3.77Å; F86-S167 WeakPolarHBondContact CZ-OG 3.23Å; F86-L168 HydrophobicContact CD1-CD2 3.56Å; F86-L168 HydrophobicContact CD1-CG 4.11Å; F86-L168 HydrophobicContact CE1-CD2 3.49Å; F86-L168 VanDerWaalsContact CE1-CD2 3.49Å; F86-L168 HydrophobicContact CE1-CG 3.67Å; F86-L168 HydrophobicContact CZ-CG 4.48Å; F86-I213 HydrophobicContact CE2-CG2 4.44Å; F86-V402 HydrophobicContact CD1-CG1 3.52Å; F86-V402 HydrophobicContact CE1-CG1 3.79Å; F86-V402 HydrophobicContact CG-CG1 4.3Å; F86-L406 HydrophobicContact CB-CD1 3.68Å; F86-L406 HydrophobicContact CD1-CD1 4.25Å; F86-L406 HydrophobicContact CD2-CD1 3.65Å; F86-L406 HydrophobicContact CD2-CD2 3.96Å; F86-L406 HydrophobicContact CD2-CG 4.46Å; F86-L406 HydrophobicContact CE2-CD1 4.36Å; F86-L406 HydrophobicContact CE2-CD2 3.92Å; F86-L406 HydrophobicContact CG-CD1 3.61Å
87	N	68.6	Low	63.9	Low	52 Å²	52	41.6 Å²	41.6	28%	0.278	24%	0.239	S	C	.	.	H	α-helix	trans	-64.1	-38.4	179.8	-77.1	-35.9	0	0	0	111.7	E83 A84 C90 S91	E83-N87 WeakPolarHBondContact O-CB 3.5Å; E83-N87 PolarHBondContact O-N 3.47Å; E83-N87 PolarHBondContact O-ND2 3.36Å; A84-N87 PolarHBondContact O-N 3.46Å; N87-C90 PolarHBondContact O-N 3.43Å; N87-S91 WeakPolarHBondContact O-CB 3.4Å; N87-S91 PolarHBondContact O-N 3Å
88	A	65.9	Low	64.5	Low	45 Å²	45	41 Å²	41	37%	0.372	23%	0.226	S	C	.	.	H	α-helix	trans	-63.3	-47.4	175.3	0	0	0	0	0	111.7	L76 A84 D85 F86 C90 S91	L76-A88 HydrophobicContact CD2-CB 3.62Å; A84-A88 WeakPolarHBondContact O-CB 3.47Å; A84-A88 PolarHBondContact O-N 2.95Å; D85-A88 PolarHBondContact O-N 3.26Å; F86-A88 VanDerWaalsContact C-N 3.32Å; F86-A88 PolarHBondContact O-N 3.49Å; A88-C90 VanDerWaalsContact C-N 3.35Å; A88-C90 PolarHBondContact O-N 3.48Å; A88-S91 PolarHBondContact O-N 2.9Å
89	A	68.7	Low	65.1	Low	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60	-45	174.5	0	0	0	0	0	111.6	F51 D85 F86 S91 I92 L93 L168	F51-A89 HydrophobicContact CE1-CB 3.96Å; F51-A89 HydrophobicContact CZ-CB 4.04Å; D85-A89 PolarHBondContact O-N 2.59Å; D85-A89 VanDerWaalsContact O-N 3.11Å; F86-A89 PolarHBondContact O-N 3.49Å; A89-S91 PolarHBondContact O-N 3.04Å; A89-I92 WeakPolarHBondContact O-CB 3.44Å; A89-I92 PolarHBondContact O-N 2.85Å; A89-I92 VanDerWaalsContact O-N 3.17Å; A89-L93 WeakPolarHBondContact O-CG 3.12Å; A89-L93 PolarHBondContact O-N 3.5Å; A89-L168 HydrophobicContact CB-CD1 3.97Å; A89-L168 HydrophobicContact CB-CD2 4.47Å
90	C	71.5	Confident	65.9	Low	9 Å²	9	39.3 Å²	39.3	6%	0.061	22%	0.216	C	C	.	.	H	α-helix	trans	-66.4	-33.1	-179.4	-84.6	0	0	0	0	114.6	F86 N87 A88 I92 L93 N94 C399	F86-C90 VanDerWaalsContact O-CB 3.26Å; F86-C90 WeakPolarHBondContact O-CB 3.43Å; F86-C90 PolarHBondContact O-N 2.91Å; F86-C90 PolarHBondContact O-SG 2.84Å; N87-C90 PolarHBondContact O-N 3.43Å; A88-C90 VanDerWaalsContact C-N 3.35Å; A88-C90 PolarHBondContact O-N 3.48Å; C90-I92 PolarHBondContact O-N 3.32Å; C90-L93 PolarHBondContact O-N 3.03Å; C90-N94 WeakPolarHBondContact O-CB 3.37Å; C90-N94 PolarHBondContact O-N 2.9Å; C90-C399 WeakPolarHBondContact CA-SG 3.35Å; C90-C399 HydrophobicContact CB-CB 3.4Å; C90-C399 VanDerWaalsContact CB-CB 3.4Å; C90-C399 WeakPolarHBondContact CB-SG 3.25Å; C90-C399 WeakPolarHBondContact SG-CB 3.48Å; C90-C399 CovalentContact SG-SG 2.04Å; C90-C399 PolarHBondContact SG-SG 3.04Å
91	S	69.4	Low	66.8	Low	59 Å²	59	38.8 Å²	38.8	41%	0.413	21%	0.21	S	C	.	.	H	α-helix	trans	-58.8	-30.9	174	-176.6	0	0	0	0	112.2	N87 A88 A89 K95	N87-S91 WeakPolarHBondContact O-CB 3.4Å; N87-S91 PolarHBondContact O-N 3Å; A88-S91 PolarHBondContact O-N 2.9Å; A89-S91 PolarHBondContact O-N 3.04Å; S91-K95 WeakPolarHBondContact O-CD 3.41Å; S91-K95 VanDerWaalsContact O-CG 3.31Å; S91-K95 WeakPolarHBondContact O-CG 3.38Å
92	I	65.5	Low	67.6	Low	20 Å²	20	35.6 Å²	35.6	10%	0.103	19%	0.194	C	C	.	.	H	α-helix	trans	-82.3	-47.3	179.5	-62.3	172.7	0	0	0	110.3	I36 V74 A89 C90 N94 K95	I36-I92 HydrophobicContact CD1-CD1 4Å; I36-I92 HydrophobicContact CD1-CG1 4.05Å; I36-I92 HydrophobicContact CG1-CD1 4.09Å; V74-I92 HydrophobicContact CB-CD1 3.95Å; V74-I92 HydrophobicContact CG1-CD1 3.34Å; V74-I92 HydrophobicContact CG2-CD1 3.37Å; V74-I92 HydrophobicContact CG2-CG2 4.28Å; A89-I92 WeakPolarHBondContact O-CB 3.44Å; A89-I92 PolarHBondContact O-N 2.85Å; A89-I92 VanDerWaalsContact O-N 3.17Å; C90-I92 PolarHBondContact O-N 3.32Å; I92-N94 VanDerWaalsContact C-N 3.28Å; I92-N94 PolarHBondContact O-N 2.92Å; I92-K95 PolarHBondContact O-N 3.47Å
93	L	70.7	Confident	68.2	Low	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.9	-39.2	179.2	-64.1	171.8	0	0	0	112.1	A89 C90 K95 T96 I100 L172 L174 V397	A89-L93 WeakPolarHBondContact O-CG 3.12Å; A89-L93 PolarHBondContact O-N 3.5Å; C90-L93 PolarHBondContact O-N 3.03Å; L93-K95 VanDerWaalsContact C-N 3.27Å; L93-K95 PolarHBondContact O-N 3.35Å; L93-T96 VanDerWaalsContact O-CG2 3.31Å; L93-T96 WeakPolarHBondContact O-CG2 3.48Å; L93-I100 HydrophobicContact CB-CD1 4.49Å; L93-I100 HydrophobicContact CD2-CD1 3.55Å; L93-I100 HydrophobicContact CD2-CG2 3.82Å; L93-L172 HydrophobicContact CD1-CD1 3.44Å; L93-L172 VanDerWaalsContact CD1-CD1 3.44Å; L93-L174 HydrophobicContact CD1-CD1 4.08Å; L93-L174 HydrophobicContact CD2-CD1 3.97Å; L93-V397 HydrophobicContact CB-CG1 4.37Å
94	N	70	Confident	68.8	Low	83 Å²	83	32.2 Å²	32.2	44%	0.444	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-21.1	177.7	-76.6	-9.5	0	0	0	113.7	C90 I92 V397 C399	C90-N94 WeakPolarHBondContact O-CB 3.37Å; C90-N94 PolarHBondContact O-N 2.9Å; I92-N94 VanDerWaalsContact C-N 3.28Å; I92-N94 PolarHBondContact O-N 2.92Å; N94-V397 PolarHBondContact OD1-O 2.9Å; N94-C399 PolarHBondContact OD1-N 3.26Å
95	K	66.3	Low	69	Low	161 Å²	161	30.3 Å²	30.3	70%	0.7	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-8.2	-176.1	-76.5	178.1	-177.2	-179.6	0	113.9	S91 I92 L93	S91-K95 WeakPolarHBondContact O-CD 3.41Å; S91-K95 VanDerWaalsContact O-CG 3.31Å; S91-K95 WeakPolarHBondContact O-CG 3.38Å; I92-K95 PolarHBondContact O-N 3.47Å; L93-K95 VanDerWaalsContact C-N 3.27Å; L93-K95 PolarHBondContact O-N 3.35Å
96	T	66.7	Low	69	Low	22 Å²	22	30.3 Å²	30.3	14%	0.135	16%	0.162	C	C	.	.			trans	-108.8	137.3	-176.4	174.1	0	0	0	0	111.5	L93 R98 I100	L93-T96 VanDerWaalsContact O-CG2 3.31Å; L93-T96 WeakPolarHBondContact O-CG2 3.48Å; T96-R98 PolarHBondContact OG1-N 3.42Å; T96-I100 HydrophobicContact CG2-CD1 3.25Å; T96-I100 HydrophobicContact CG2-CG1 3.83Å
97	N	63.1	Low	68.7	Low	88 Å²	88	31.1 Å²	31.1	47%	0.471	17%	0.165	S	C	.	.			trans	-104.3	8.3	176	-62.5	24.3	0	0	0	111.6	H396	N97-H396 PolarHBondContact ND2-CE1 3.01Å; N97-H396 PolarHBondContact OD1-CE1 3.32Å; N97-H396 PolarHBondContact OD1-ND1 3.26Å
98	R	65.9	Low	68.1	Low	75 Å²	75	31.1 Å²	31.1	28%	0.283	17%	0.168	S	C	.	.	S	Bend	trans	-100.4	155	-174.7	-64.7	174.2	173.6	-165.1	-8.5	109.9	V43 S45 T47 S70 T96 I100	V43-R98 PolarHBondContact O-NH2 2.61Å; S45-R98 PolarHBondContact O-NH1 3.06Å; T47-R98 WeakPolarHBondContact OG1-CD 3.32Å; T47-R98 PolarHBondContact OG1-NH1 3.45Å; T47-R98 VanDerWaalsContact OG1-NH1 3.11Å; S70-R98 PolarHBondContact OG-NH1 2.78Å; T96-R98 PolarHBondContact OG1-N 3.42Å; R98-I100 VanDerWaalsContact O-CG1 3.28Å; R98-I100 WeakPolarHBondContact O-CG1 3.44Å; R98-I100 PolarHBondContact O-N 3.27Å
99	P	67	Low	67.6	Low	14 Å²	14	31.8 Å²	31.8	9%	0.091	16%	0.161	C	C	.	.			trans	-54.7	133.6	171.5	-22.7	33	0	0	0	110.3	Y46 L391	Y46-P99 HydrophobicContact CD1-CG 4.08Å; P99-L391 HydrophobicContact CB-CD1 4.12Å; P99-L391 HydrophobicContact CB-CD2 4.16Å; P99-L391 HydrophobicContact CG-CB 3.7Å; P99-L391 HydrophobicContact CG-CD1 4.07Å; P99-L391 HydrophobicContact CG-CD2 4.16Å; P99-L391 HydrophobicContact CG-CG 4.2Å
100	I	70.9	Confident	66.4	Low	1 Å²	1	36.1 Å²	36.1	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.4	-176.1	-51.7	173	0	0	0	109.4	V49 L93 T96 R98 L174 V397	V49-I100 HydrophobicContact CB-CG2 3.96Å; V49-I100 HydrophobicContact CG2-CG2 3.58Å; L93-I100 HydrophobicContact CB-CD1 4.49Å; L93-I100 HydrophobicContact CD2-CD1 3.55Å; L93-I100 HydrophobicContact CD2-CG2 3.82Å; T96-I100 HydrophobicContact CG2-CD1 3.25Å; T96-I100 HydrophobicContact CG2-CG1 3.83Å; R98-I100 VanDerWaalsContact O-CG1 3.28Å; R98-I100 WeakPolarHBondContact O-CG1 3.44Å; R98-I100 PolarHBondContact O-N 3.27Å; I100-L174 HydrophobicContact CB-CD2 4.1Å; I100-L174 HydrophobicContact CG2-CD2 4.4Å; I100-V397 HydrophobicContact CD1-CB 4.39Å; I100-V397 HydrophobicContact CD1-CG2 3.83Å
101	A	73.3	Confident	64.8	Low	2 Å²	2	40.6 Å²	40.6	2%	0.017	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	146.7	160.6	0	0	0	0	0	109.6	L48 V49 P175 L431	L48-A101 HydrophobicContact CD1-CB 3.84Å; V49-A101 PolarHBondContact N-O 3.02Å; A101-P175 HydrophobicContact CB-CG 3.82Å; A101-L431 HydrophobicContact CB-CD2 3.94Å
102	L	75.8	Confident	63.1	Low	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	137.1	173.3	-57	175.6	0	0	0	108.6	V49 F51 L168 L174 P175 L176 V177	V49-L102 WeakPolarHBondContact O-CA 3.4Å; F51-L102 HydrophobicContact CD2-CD2 3.85Å; F51-L102 HydrophobicContact CE2-CD2 3.42Å; F51-L102 VanDerWaalsContact CE2-CD2 3.42Å; F51-L102 HydrophobicContact CZ-CD2 4.47Å; L102-L168 HydrophobicContact CD1-CB 3.87Å; L102-L174 HydrophobicContact CD1-CB 3.98Å; L102-L174 HydrophobicContact CD1-CD1 4.16Å; L102-L174 HydrophobicContact CD2-CD1 4.12Å; L102-L174 HydrophobicContact CG-CB 4.02Å; L102-L174 HydrophobicContact CG-CD1 4.12Å; L102-P175 PolarHBondContact N-O 2.9Å; L102-L176 HydrophobicContact CB-CB 4.28Å; L102-L176 HydrophobicContact CB-CD1 3.62Å; L102-L176 CarbonylContact O-C 3.52Å; L102-L176 VanDerWaalsContact O-CA 3.31Å; L102-L176 WeakPolarHBondContact O-CA 3.44Å; L102-V177 PolarHBondContact O-N 3.45Å
103	V	74.3	Confident	61.5	Low	0 Å²	0	49 Å²	49	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	125.5	173	-176.9	0	0	0	0	109.8	L48 V49 T50 F51 F60 V177 L380	L48-V103 HydrophobicContact CD1-CG2 3.98Å; L48-V103 HydrophobicContact CD2-CG2 3.74Å; L48-V103 HydrophobicContact CG-CG2 3.9Å; V49-V103 PolarHBondContact O-N 2.87Å; T50-V103 HydrophobicContact CG2-CB 3.89Å; T50-V103 HydrophobicContact CG2-CG2 4.3Å; F51-V103 PolarHBondContact N-O 3.25Å; F60-V103 HydrophobicContact CE2-CG1 3.98Å; F60-V103 HydrophobicContact CZ-CG1 4.22Å; V103-V177 CarbonylContact C-O 3.3Å; V103-V177 VanDerWaalsContact CA-O 3.31Å; V103-V177 WeakPolarHBondContact CA-O 3.43Å; V103-V177 HydrophobicContact CG2-CB 4.33Å; V103-L380 HydrophobicContact CG2-CD1 4.01Å
104	D	73.8	Confident	59.6	Low	1 Å²	1	55.3 Å²	55.3	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	100.3	167	179.3	12.7	0	0	0	108.6	S106 R162 L165 V177 T178 I179	D104-S106 VanDerWaalsContact C-N 3.33Å; D104-S106 VanDerWaalsContact OD1-CB 3.26Å; D104-S106 WeakPolarHBondContact OD1-CB 3.32Å; D104-S106 PolarHBondContact OD1-N 3.14Å; D104-S106 PolarHBondContact OD1-OG 2.81Å; D104-S106 PolarHBondContact OD2-OG 3.44Å; D104-R162 IonicContact OD2-CZ 3.96Å; D104-R162 IonicContact OD2-NE 3.78Å; D104-R162 PolarHBondContact OD2-NE 3.41Å; D104-R162 IonicContact OD2-NH2 2.73Å; D104-R162 PolarHBondContact OD2-NH2 3.19Å; D104-L165 HydrophobicContact CB-CD1 3.74Å; D104-V177 PolarHBondContact N-O 3.14Å; D104-T178 HydrophobicContact CB-CG2 3.85Å; D104-I179 WeakPolarHBondContact O-CG2 3.34Å; D104-I179 PolarHBondContact O-N 3.01Å
105	S	67.4	Low	57.6	Low	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.315	C	S	.	.			trans	-93.9	17	176.9	67	0	0	0	0	113.1	L53 W107 I179	L53-S105 VanDerWaalsContact CD2-OG 3.23Å; L53-S105 WeakPolarHBondContact CD2-OG 3.4Å; S105-W107 PolarHBondContact O-N 2.92Å; S105-I179 WeakPolarHBondContact O-CD1 3.36Å
106	S	64.6	Low	55.7	Low	2 Å²	2	56.6 Å²	56.6	1%	0.014	32%	0.317	C	S	.	.			trans	-76.5	123	-179.8	66	0	0	0	0	111.8	D104 I179	D104-S106 VanDerWaalsContact C-N 3.33Å; D104-S106 VanDerWaalsContact OD1-CB 3.26Å; D104-S106 WeakPolarHBondContact OD1-CB 3.32Å; D104-S106 PolarHBondContact OD1-N 3.14Å; D104-S106 PolarHBondContact OD1-OG 2.81Å; D104-S106 PolarHBondContact OD2-OG 3.44Å; S106-I179 WeakPolarHBondContact O-CG1 3.47Å
107	W	63.5	Low	53.9	Low	20 Å²	20	61.7 Å²	61.7	8%	0.076	34%	0.338	C	S	.	.			trans	-100.8	139.9	177.6	-161.8	-112.8	0	0	0	111.3	S105 Y109 R158 I179 T180 L368 H369 M372	S105-W107 PolarHBondContact O-N 2.92Å; W107-Y109 VanDerWaalsContact C-N 3.3Å; W107-Y109 VanDerWaalsContact CD1-O 3.28Å; W107-Y109 PolarHBondContact O-N 3.41Å; W107-R158 PolarHBondContact O-NE 3.07Å; W107-R158 PolarHBondContact O-NH1 3.26Å; W107-R158 PolarHBondContact O-NH2 3.1Å; W107-I179 HydrophobicContact CB-CD1 4.38Å; W107-I179 HydrophobicContact CD2-CD1 4.5Å; W107-I179 HydrophobicContact CE3-CD1 3.53Å; W107-I179 HydrophobicContact CE3-CG1 3.91Å; W107-I179 HydrophobicContact CZ3-CB 4.49Å; W107-I179 HydrophobicContact CZ3-CD1 4.23Å; W107-I179 HydrophobicContact CZ3-CG1 4.29Å; W107-I179 WeakPolarHBondContact CZ3-O 3.35Å; W107-T180 HydrophobicContact CE3-CG2 4.43Å; W107-L368 HydrophobicContact CH2-CD2 3.93Å; W107-L368 HydrophobicContact CH2-CG 3.99Å; W107-L368 HydrophobicContact CZ2-CB 4.27Å; W107-L368 HydrophobicContact CZ2-CD2 3.95Å; W107-L368 HydrophobicContact CZ2-CG 4.12Å; W107-H369 HydrophobicContact CD2-CB 3.73Å; W107-H369 AromaticContact CD2-CG 3.76Å; W107-H369 AromaticContact CD2-ND1 3.42Å; W107-H369 HydrophobicContact CE3-CB 4.23Å; W107-H369 AromaticContact CE3-ND1 3.35Å; W107-H369 HydrophobicContact CG-CB 3.92Å; W107-H369 AromaticContact CG-CG 3.68Å; W107-H369 AromaticContact CG-ND1 3.52Å; W107-H369 HydrophobicContact CZ2-CB 4.33Å; W107-M372 HydrophobicContact CH2-SD 3.47Å; W107-M372 WeakPolarHBondContact CH2-SD 3.4Å; W107-M372 HydrophobicContact CZ3-SD 3.39Å; W107-M372 WeakPolarHBondContact CZ3-SD 3.49Å
108	P	56.6	Low	52	Low	52 Å²	52	64.5 Å²	64.5	34%	0.338	35%	0.351	S	S	.	.	S	Bend	trans	-67.2	-27.7	-177.1	18	-22.1	0	0	0	113.4	R158 T180	P108-R158 PolarHBondContact O-NH1 2.84Å; P108-T180 HydrophobicContact CG-CG2 4.1Å
109	Y	53.8	Low	50.1	Low	59 Å²	59	69.3 Å²	69.3	23%	0.231	38%	0.375	C	S	.	.			trans	-121.4	91.2	-170.1	-45.7	-63.2	0	0	0	110.8	W107 S111 Q229 H256 D259	W107-Y109 VanDerWaalsContact C-N 3.3Å; W107-Y109 VanDerWaalsContact CD1-O 3.28Å; W107-Y109 PolarHBondContact O-N 3.41Å; Y109-S111 PolarHBondContact O-N 3.25Å; Y109-S111 VanDerWaalsContact O-N 3.11Å; Y109-Q229 PolarHBondContact OH-NE2 2.95Å; Y109-H256 AromaticContact CD1-CD2 3.61Å; Y109-H256 AromaticContact CD1-CE1 3.51Å; Y109-H256 AromaticContact CD1-NE2 3.18Å; Y109-H256 WeakPolarHBondContact CD1-NE2 3.34Å; Y109-H256 HydrophobicContact CE1-CB 4.24Å; Y109-H256 AromaticContact CE1-CD2 3.13Å; Y109-H256 WeakPolarHBondContact CE1-CD2 3.5Å; Y109-H256 AromaticContact CE1-CE1 3.67Å; Y109-H256 AromaticContact CE1-CG 3.46Å; Y109-H256 VanDerWaalsContact CE1-CG 3.46Å; Y109-H256 AromaticContact CE1-ND1 3.78Å; Y109-H256 AromaticContact CE1-NE2 3.28Å; Y109-H256 VanDerWaalsContact CE1-NE2 3.28Å; Y109-H256 WeakPolarHBondContact CE1-NE2 3.19Å; Y109-H256 AromaticContact CZ-CD2 3.95Å; Y109-D259 PolarHBondContact OH-OD1 3.45Å
110	S	43.4	Very low	48.2	Very low	91 Å²	91	73.5 Å²	73.5	64%	0.636	40%	0.404	S	S	*	.			trans	-72.4	107.2	175	51.1	0	0	0	0	109.2	Q112	S110-Q112 PolarHBondContact O-N 2.98Å
111	S	39.5	Very low	46.1	Very low	102 Å²	102	77.3 Å²	77.3	71%	0.713	44%	0.436	S	S	*	.			trans	-79.5	1.8	179.9	59.3	0	0	0	0	114.3	Y109	Y109-S111 PolarHBondContact O-N 3.25Å; Y109-S111 VanDerWaalsContact O-N 3.11Å
112	Q	34	Very low	43.9	Very low	168 Å²	168	82.3 Å²	82.3	79%	0.785	47%	0.471	S	S	*	.			trans	-102.3	95.7	-178.2	-74.4	-176.6	-12.5	0	0	111.2	S110	S110-Q112 PolarHBondContact O-N 2.98Å
113	S	31.9	Very low	41.6	Very low	89 Å²	89	88.7 Å²	88.7	62%	0.622	50%	0.504	S	S	*	.			trans	27.9	118.7	136.9	56.7	0	0	0	0	120.1	D115	S113-D115 VanDerWaalsContact C-N 3.34Å; S113-D115 PolarHBondContact O-N 2.99Å
114	D	30.4	Very low	39.3	Very low	132 Å²	132	97.8 Å²	97.8	71%	0.706	54%	0.543	S	S	*	.				48.4	26.9	114.9	-66.7	-20.6	0	0	0	120.9	T116	D114-T116 VanDerWaalsContact C-N 3.33Å; D114-T116 PolarHBondContact O-N 3.38Å; D114-T116 VanDerWaalsContact O-N 3.17Å
115	D	27.8	Very low	37.4	Very low	149 Å²	149	104.8 Å²	104.8	80%	0.797	58%	0.581	S	S	*	*			trans	-86.1	84.4	159.4	-79.1	-16	0	0	0	109.3	S113 F117	S113-D115 VanDerWaalsContact C-N 3.34Å; S113-D115 PolarHBondContact O-N 2.99Å; D115-F117 PolarHBondContact O-N 2.76Å; D115-F117 VanDerWaalsContact O-N 3.16Å
116	T	26.4	Very low	35.6	Very low	121 Å²	121	112.7 Å²	112.7	74%	0.742	62%	0.618	S	S	*	*			trans	-32.7	114.3	169.9	36.8	0	0	0	0	112.9	D114 I118	D114-T116 VanDerWaalsContact C-N 3.33Å; D114-T116 PolarHBondContact O-N 3.38Å; D114-T116 VanDerWaalsContact O-N 3.17Å; T116-I118 PolarHBondContact O-N 3.43Å
117	F	28	Very low	34.2	Very low	130 Å²	130	119 Å²	119	57%	0.57	65%	0.651	S	S	*	*			trans	-70.6	90	168.3	-74.4	-80.8	0	0	0	110.2	D115 F119	D115-F117 PolarHBondContact O-N 2.76Å; D115-F117 VanDerWaalsContact O-N 3.16Å; F117-F119 VanDerWaalsContact C-N 3.32Å; F117-F119 HydrophobicContact CB-CD2 4.34Å; F117-F119 HydrophobicContact CD1-CD2 4.16Å; F117-F119 AromaticContact CD1-CE2 3.68Å; F117-F119 HydrophobicContact CD1-CE2 3.68Å; F117-F119 HydrophobicContact CE1-CE2 4.32Å; F117-F119 PolarHBondContact O-N 3.11Å
118	I	23.7	Very low	32.7	Very low	146 Å²	146	125 Å²	125	75%	0.749	69%	0.685	S	S	*	*			trans	-86.1	81.9	162.9	-53.5	179.4	0	0	0	108.1	T116 S120	T116-I118 PolarHBondContact O-N 3.43Å; I118-S120 VanDerWaalsContact C-N 3.33Å; I118-S120 PolarHBondContact O-N 2.96Å
119	F	26.9	Very low	31.7	Very low	177 Å²	177	131.2 Å²	131.2	78%	0.776	71%	0.709	S	S	*	*			trans	-81.5	90.3	154.3	-77	-75	0	0	0	107	F117 A121	F117-F119 VanDerWaalsContact C-N 3.32Å; F117-F119 HydrophobicContact CB-CD2 4.34Å; F117-F119 HydrophobicContact CD1-CD2 4.16Å; F117-F119 AromaticContact CD1-CE2 3.68Å; F117-F119 HydrophobicContact CD1-CE2 3.68Å; F117-F119 HydrophobicContact CE1-CE2 4.32Å; F117-F119 PolarHBondContact O-N 3.11Å; F119-A121 PolarHBondContact O-N 3.1Å
120	S	26.1	Very low	31.1	Very low	101 Å²	101	134.1 Å²	134.1	71%	0.706	74%	0.735	S	S	*	*			trans	-65.4	84.1	175.9	62.1	0	0	0	0	110.1	I118 S122	I118-S120 VanDerWaalsContact C-N 3.33Å; I118-S120 PolarHBondContact O-N 2.96Å; S120-S122 VanDerWaalsContact C-N 3.35Å; S120-S122 PolarHBondContact O-N 3.47Å
121	A	27.8	Very low	30.8	Very low	82 Å²	82	131.9 Å²	131.9	68%	0.678	72%	0.723	S	S	*	*			trans	-72.2	99.8	153.4	0	0	0	0	0	105.2	F119 I123	F119-A121 PolarHBondContact O-N 3.1Å; A121-I123 PolarHBondContact O-N 3.35Å
122	S	26.9	Very low	30.8	Very low	107 Å²	107	135.1 Å²	135.1	75%	0.748	73%	0.726	S	S	*	*			trans	-64.8	82.6	179.2	51.5	0	0	0	0	110.3	S120 K124	S120-S122 VanDerWaalsContact C-N 3.35Å; S120-S122 PolarHBondContact O-N 3.47Å; S122-K124 VanDerWaalsContact C-N 3.35Å; S122-K124 PolarHBondContact O-N 3.33Å; S122-K124 VanDerWaalsContact O-N 3.1Å
123	I	27.4	Very low	30.9	Very low	134 Å²	134	135.7 Å²	135.7	69%	0.687	72%	0.723	S	S	*	*			trans	-74.8	97.3	164.9	-61.4	175.6	0	0	0	105.4	A121 D125	A121-I123 PolarHBondContact O-N 3.35Å; I123-D125 VanDerWaalsContact C-N 3.32Å; I123-D125 PolarHBondContact O-N 2.87Å; I123-D125 VanDerWaalsContact O-N 3.12Å
124	K	26.1	Very low	31.1	Very low	191 Å²	191	136.8 Å²	136.8	83%	0.83	72%	0.718	S	S	*	*			trans	-72	91.3	166.4	-75.1	-176.6	173.3	-173.2	0	107.4	S122	S122-K124 VanDerWaalsContact C-N 3.35Å; S122-K124 PolarHBondContact O-N 3.33Å; S122-K124 VanDerWaalsContact O-N 3.1Å
125	D	32.3	Very low	31.5	Very low	148 Å²	148	135.9 Å²	135.9	79%	0.791	71%	0.71	S	S	*	*			trans	-95.1	109.4	161.7	-81.8	-28.4	0	0	0	108.7	I123	I123-D125 VanDerWaalsContact C-N 3.32Å; I123-D125 PolarHBondContact O-N 2.87Å; I123-D125 VanDerWaalsContact O-N 3.12Å
126	E	30.1	Very low	32	Very low	166 Å²	166	135 Å²	135	78%	0.776	70%	0.701	S	S	*	*			trans	-74.9	143.8	170.3	-76.4	180	160.8	0	0	110.4
127	N	36	Very low	32.5	Very low	133 Å²	133	133.6 Å²	133.6	71%	0.711	69%	0.687	S	S	*	*			trans	89.4	98	155	-53.3	-34.5	0	0	0	119.1
128	N	31.3	Very low	32.9	Very low	146 Å²	146	132.8 Å²	132.8	78%	0.781	68%	0.684	S	S	*	*				59.4	112.5	126.8	-64.9	-8.2	0	0	0	121.9
129	E	35.8	Very low	33.6	Very low	183 Å²	183	130.1 Å²	130.1	86%	0.855	67%	0.671	S	S	*	*			trans	56.5	151.9	139.6	-66.1	-169.1	166.2	0	0	121.6
130	P	41.7	Very low	34.3	Very low	120 Å²	120	126.4 Å²	126.4	78%	0.779	66%	0.663	S	S	*	*			cis	-119.7	112.2	-49.5	31.8	-15.4	0	0	0	109.2
131	A	36.9	Very low	34.5	Very low	45 Å²	45	127 Å²	127	37%	0.372	66%	0.658	S	S	.	*			trans	-123.2	38.9	-176.9	0	0	0	0	0	112.2	Y133 E134 Q135	A131-Y133 PolarHBondContact O-N 3.47Å; A131-Y133 VanDerWaalsContact O-N 3.14Å; A131-E134 HydrophobicContact CB-CB 4.16Å; A131-E134 PolarHBondContact O-N 3.14Å; A131-Q135 WeakPolarHBondContact O-CB 3.15Å; A131-Q135 PolarHBondContact O-N 2.82Å
132	E	39.8	Very low	34.8	Very low	169 Å²	169	128.3 Å²	128.3	79%	0.79	65%	0.65	S	S	*	*	H	α-helix	trans	-54.7	-35.4	-176.4	-79	-176.6	152.4	0	0	113.1	E136	E132-E136 PolarHBondContact O-N 3.03Å
133	Y	35.6	Very low	35.3	Very low	180 Å²	180	127.3 Å²	127.3	71%	0.706	64%	0.636	S	S	*	*	H	α-helix	trans	-76.1	-32.1	177.1	-164.9	-103.6	0	0	0	113.5	A131 I137	A131-Y133 PolarHBondContact O-N 3.47Å; A131-Y133 VanDerWaalsContact O-N 3.14Å; Y133-I137 HydrophobicContact CD1-CD1 4.25Å; Y133-I137 HydrophobicContact CE1-CD1 3.84Å
134	E	35.4	Very low	35.5	Very low	112 Å²	112	121.9 Å²	121.9	52%	0.523	61%	0.613	S	S	.	*	H	α-helix	trans	-78.4	-28.8	176.9	-139.7	-168.5	-137.6	0	0	111.5	A131 K138	A131-E134 HydrophobicContact CB-CB 4.16Å; A131-E134 PolarHBondContact O-N 3.14Å; E134-K138 VanDerWaalsContact O-CB 3.28Å; E134-K138 WeakPolarHBondContact O-CB 3.31Å; E134-K138 WeakPolarHBondContact O-CG 3.33Å; E134-K138 PolarHBondContact O-N 3.25Å; E134-K138 IonicContact OE2-NZ 3.94Å; E134-K138 PolarHBondContact OE2-NZ 3.29Å
135	Q	39.3	Very low	35.7	Very low	114 Å²	114	117.8 Å²	117.8	53%	0.533	60%	0.599	S	S	.	*	H	α-helix	trans	-69.7	-37	173.2	-113.4	162.6	-24.2	0	0	112.1	A131 K138 N139	A131-Q135 WeakPolarHBondContact O-CB 3.15Å; A131-Q135 PolarHBondContact O-N 2.82Å; Q135-K138 PolarHBondContact O-N 3.44Å; Q135-N139 WeakPolarHBondContact O-CB 3.42Å; Q135-N139 PolarHBondContact O-N 3.47Å; Q135-N139 PolarHBondContact O-ND2 3.01Å; Q135-N139 PolarHBondContact O-OD1 2.77Å
136	E	38.4	Very low	35.8	Very low	130 Å²	130	115 Å²	115	61%	0.607	58%	0.582	S	S	*	*	H	α-helix	trans	-66.6	-40.9	177.1	-162.3	173.9	-163.7	0	0	111.7	E132 N139 T140	E132-E136 PolarHBondContact O-N 3.03Å; E136-N139 PolarHBondContact O-N 3.38Å; E136-T140 PolarHBondContact O-N 2.94Å; E136-T140 PolarHBondContact O-OG1 3.24Å
137	I	37	Very low	36.1	Very low	91 Å²	91	111.7 Å²	111.7	47%	0.467	57%	0.566	S	S	.	*	H	α-helix	trans	-68.9	-43.5	174.4	-63.4	175.9	0	0	0	111.2	Y133 N139 T140 L141	Y133-I137 HydrophobicContact CD1-CD1 4.25Å; Y133-I137 HydrophobicContact CE1-CD1 3.84Å; I137-N139 VanDerWaalsContact C-N 3.34Å; I137-N139 PolarHBondContact O-N 2.96Å; I137-T140 PolarHBondContact O-OG1 2.92Å; I137-L141 VanDerWaalsContact O-CB 3.23Å; I137-L141 WeakPolarHBondContact O-CB 3.3Å; I137-L141 PolarHBondContact O-N 2.79Å
138	K	36.5	Very low	36.2	Very low	113 Å²	113	108.4 Å²	108.4	49%	0.491	55%	0.551	S	S	.	*	H	α-helix	trans	-62.1	-42.2	174.8	-82.1	173.7	-179.5	156.1	0	110.9	E134 Q135 L141 H142	E134-K138 VanDerWaalsContact O-CB 3.28Å; E134-K138 WeakPolarHBondContact O-CB 3.31Å; E134-K138 WeakPolarHBondContact O-CG 3.33Å; E134-K138 PolarHBondContact O-N 3.25Å; E134-K138 IonicContact OE2-NZ 3.94Å; E134-K138 PolarHBondContact OE2-NZ 3.29Å; Q135-K138 PolarHBondContact O-N 3.44Å; K138-L141 PolarHBondContact O-N 2.9Å; K138-H142 VanDerWaalsContact O-CB 3.25Å; K138-H142 WeakPolarHBondContact O-CB 3.38Å; K138-H142 PolarHBondContact O-N 3.39Å
139	N	39.3	Very low	36.5	Very low	90 Å²	90	103.2 Å²	103.2	48%	0.481	53%	0.528	S	S	.	.	H	α-helix	trans	-68.7	-40.8	-179.8	-71.1	-11.7	0	0	0	112.2	Q135 E136 I137 H142 N143	Q135-N139 WeakPolarHBondContact O-CB 3.42Å; Q135-N139 PolarHBondContact O-N 3.47Å; Q135-N139 PolarHBondContact O-ND2 3.01Å; Q135-N139 PolarHBondContact O-OD1 2.77Å; E136-N139 PolarHBondContact O-N 3.38Å; I137-N139 VanDerWaalsContact C-N 3.34Å; I137-N139 PolarHBondContact O-N 2.96Å; N139-H142 PolarHBondContact O-N 2.92Å; N139-N143 WeakPolarHBondContact O-CB 3.33Å; N139-N143 PolarHBondContact O-N 2.93Å; N139-N143 PolarHBondContact O-ND2 3.12Å; N139-N143 PolarHBondContact O-OD1 2.91Å
140	T	39.6	Very low	36.8	Very low	99 Å²	99	98.7 Å²	98.7	61%	0.607	51%	0.507	S	S	*	.	H	α-helix	trans	-66.9	-38.7	174	27.1	0	0	0	0	112.1	E136 I137 G144	E136-T140 PolarHBondContact O-N 2.94Å; E136-T140 PolarHBondContact O-OG1 3.24Å; I137-T140 PolarHBondContact O-OG1 2.92Å; T140-G144 PolarHBondContact O-N 2.83Å; T140-G144 VanDerWaalsContact O-N 3.08Å
141	L	31.7	Very low	37.1	Very low	115 Å²	115	96.3 Å²	96.3	60%	0.602	49%	0.494	S	S	*	.	H	α-helix	trans	-69.9	-39.8	176.4	-166.8	70.6	0	0	0	112	I137 K138 L145	I137-L141 VanDerWaalsContact O-CB 3.23Å; I137-L141 WeakPolarHBondContact O-CB 3.3Å; I137-L141 PolarHBondContact O-N 2.79Å; K138-L141 PolarHBondContact O-N 2.9Å; L141-L145 HydrophobicContact CG-CD1 4.04Å; L141-L145 VanDerWaalsContact O-CB 3.3Å; L141-L145 WeakPolarHBondContact O-CB 3.22Å; L141-L145 WeakPolarHBondContact O-CD1 3.35Å; L141-L145 WeakPolarHBondContact O-CG 3.28Å; L141-L145 PolarHBondContact O-N 3.28Å
142	H	34.3	Very low	37.9	Very low	109 Å²	109	98.6 Å²	98.6	51%	0.505	50%	0.496	S	S	.	.	H	α-helix	trans	-67	-46.2	176	-126.1	-73.7	0	0	0	110.8	K138 N139 G144 L145 E146	K138-H142 VanDerWaalsContact O-CB 3.25Å; K138-H142 WeakPolarHBondContact O-CB 3.38Å; K138-H142 PolarHBondContact O-N 3.39Å; N139-H142 PolarHBondContact O-N 2.92Å; H142-G144 VanDerWaalsContact C-N 3.33Å; H142-G144 PolarHBondContact O-N 3.49Å; H142-L145 CarbonylContact O-C 3.59Å; H142-L145 PolarHBondContact O-N 2.91Å; H142-E146 IonicContact CE1-OE1 3.3Å; H142-E146 PolarHBondContact CE1-OE1 2.84Å; H142-E146 IonicContact CG-OE1 3.35Å; H142-E146 IonicContact ND1-OE1 2.86Å; H142-E146 PolarHBondContact ND1-OE1 3.1Å; H142-E146 VanDerWaalsContact O-CB 3.25Å; H142-E146 WeakPolarHBondContact O-CB 3.08Å; H142-E146 VanDerWaalsContact O-CG 3.28Å; H142-E146 WeakPolarHBondContact O-CG 3.33Å; H142-E146 PolarHBondContact O-N 3.45Å
143	N	35.9	Very low	38.5	Very low	86 Å²	86	91.2 Å²	91.2	46%	0.46	46%	0.464	S	S	.	.	H	α-helix	trans	-61.8	-41.3	178.6	-70	-9.8	0	0	0	111.5	N139 E146 Q147	N139-N143 WeakPolarHBondContact O-CB 3.33Å; N139-N143 PolarHBondContact O-N 2.93Å; N139-N143 PolarHBondContact O-ND2 3.12Å; N139-N143 PolarHBondContact O-OD1 2.91Å; N143-E146 PolarHBondContact O-N 3.32Å; N143-Q147 WeakPolarHBondContact O-CB 3.3Å; N143-Q147 VanDerWaalsContact O-CG 3.25Å; N143-Q147 WeakPolarHBondContact O-CG 3.23Å; N143-Q147 PolarHBondContact O-N 2.82Å
144	G	32.7	Very low	39.6	Very low	20 Å²	20	84.5 Å²	84.5	21%	0.206	44%	0.444	C	S	.	.	H	α-helix	trans	-68.4	-38.7	175.5	0	0	0	0	0	113.4	T140 H142 T148	T140-G144 PolarHBondContact O-N 2.83Å; T140-G144 VanDerWaalsContact O-N 3.08Å; H142-G144 VanDerWaalsContact C-N 3.33Å; H142-G144 PolarHBondContact O-N 3.49Å; G144-T148 WeakPolarHBondContact O-CB 3.44Å; G144-T148 WeakPolarHBondContact O-CG2 3.34Å; G144-T148 PolarHBondContact O-N 3.27Å; G144-T148 VanDerWaalsContact O-N 3.14Å; G144-T148 PolarHBondContact O-OG1 3.1Å
145	L	30.7	Very low	40.8	Very low	104 Å²	104	83.1 Å²	83.1	55%	0.545	44%	0.437	S	S	.	.	H	α-helix	trans	-69.1	-36	174	-85.8	160	0	0	0	112.5	L141 H142 T148 A149	L141-L145 HydrophobicContact CG-CD1 4.04Å; L141-L145 VanDerWaalsContact O-CB 3.3Å; L141-L145 WeakPolarHBondContact O-CB 3.22Å; L141-L145 WeakPolarHBondContact O-CD1 3.35Å; L141-L145 WeakPolarHBondContact O-CG 3.28Å; L141-L145 PolarHBondContact O-N 3.28Å; H142-L145 CarbonylContact O-C 3.59Å; H142-L145 PolarHBondContact O-N 2.91Å; L145-T148 WeakPolarHBondContact CA-OG1 3.32Å; L145-T148 PolarHBondContact O-OG1 3.35Å; L145-A149 WeakPolarHBondContact O-CB 3.41Å; L145-A149 PolarHBondContact O-N 2.95Å
146	E	33.2	Very low	41.9	Very low	90 Å²	90	80.3 Å²	80.3	42%	0.421	42%	0.422	S	S	.	.	H	α-helix	trans	-70.7	-46.9	177.1	-78.8	175.5	-172	0	0	111	H142 N143 T148 A149 E150	H142-E146 IonicContact CE1-OE1 3.3Å; H142-E146 PolarHBondContact CE1-OE1 2.84Å; H142-E146 IonicContact CG-OE1 3.35Å; H142-E146 IonicContact ND1-OE1 2.86Å; H142-E146 PolarHBondContact ND1-OE1 3.1Å; H142-E146 VanDerWaalsContact O-CB 3.25Å; H142-E146 WeakPolarHBondContact O-CB 3.08Å; H142-E146 VanDerWaalsContact O-CG 3.28Å; H142-E146 WeakPolarHBondContact O-CG 3.33Å; H142-E146 PolarHBondContact O-N 3.45Å; N143-E146 PolarHBondContact O-N 3.32Å; E146-T148 VanDerWaalsContact C-N 3.34Å; E146-T148 PolarHBondContact O-N 2.99Å; E146-A149 CarbonylContact O-C 3.57Å; E146-A149 PolarHBondContact O-N 3.29Å; E146-E150 WeakPolarHBondContact O-CB 3.28Å; E146-E150 VanDerWaalsContact O-CG 3.3Å; E146-E150 WeakPolarHBondContact O-CG 3.47Å; E146-E150 PolarHBondContact O-N 3.29Å
147	Q	37.4	Very low	43.1	Very low	97 Å²	97	75.9 Å²	75.9	45%	0.453	40%	0.402	S	S	.	.	H	α-helix	trans	-61.3	-41.3	177	-74.8	178.1	0.6	0	0	112.3	N143 E150 S151	N143-Q147 WeakPolarHBondContact O-CB 3.3Å; N143-Q147 VanDerWaalsContact O-CG 3.25Å; N143-Q147 WeakPolarHBondContact O-CG 3.23Å; N143-Q147 PolarHBondContact O-N 2.82Å; Q147-E150 PolarHBondContact O-N 3.33Å; Q147-S151 WeakPolarHBondContact O-CB 3.41Å; Q147-S151 PolarHBondContact O-N 3.03Å
148	T	37.1	Very low	44.6	Very low	64 Å²	64	72.9 Å²	72.9	39%	0.393	39%	0.385	S	S	.	.	H	α-helix	trans	-66.9	-42.6	174.2	46.8	0	0	0	0	111.9	G144 L145 E146 E150 S151 E152	G144-T148 WeakPolarHBondContact O-CB 3.44Å; G144-T148 WeakPolarHBondContact O-CG2 3.34Å; G144-T148 PolarHBondContact O-N 3.27Å; G144-T148 VanDerWaalsContact O-N 3.14Å; G144-T148 PolarHBondContact O-OG1 3.1Å; L145-T148 WeakPolarHBondContact CA-OG1 3.32Å; L145-T148 PolarHBondContact O-OG1 3.35Å; E146-T148 VanDerWaalsContact C-N 3.34Å; E146-T148 PolarHBondContact O-N 2.99Å; T148-E150 VanDerWaalsContact C-N 3.34Å; T148-E150 PolarHBondContact O-N 3.22Å; T148-S151 PolarHBondContact O-N 3.3Å; T148-E152 WeakPolarHBondContact O-CG 3.45Å; T148-E152 PolarHBondContact O-N 2.9Å
149	A	37.8	Very low	46.2	Very low	36 Å²	36	68.3 Å²	68.3	30%	0.298	37%	0.367	S	S	.	.	H	α-helix	trans	-64	-36.6	175.5	0	0	0	0	0	112.8	L145 E146 A153 W196	L145-A149 WeakPolarHBondContact O-CB 3.41Å; L145-A149 PolarHBondContact O-N 2.95Å; E146-A149 CarbonylContact O-C 3.57Å; E146-A149 PolarHBondContact O-N 3.29Å; A149-A153 WeakPolarHBondContact O-CB 3.4Å; A149-A153 PolarHBondContact O-N 3.03Å; A149-W196 HydrophobicContact CB-CH2 4.48Å
150	E	41.5	Very low	47.5	Very low	89 Å²	89	64.1 Å²	64.1	42%	0.416	34%	0.344	S	S	.	.	H	α-helix	trans	-68.7	-44.4	176.9	-78.7	-176.9	172.5	0	0	112	E146 Q147 T148 A153 S154	E146-E150 WeakPolarHBondContact O-CB 3.28Å; E146-E150 VanDerWaalsContact O-CG 3.3Å; E146-E150 WeakPolarHBondContact O-CG 3.47Å; E146-E150 PolarHBondContact O-N 3.29Å; Q147-E150 PolarHBondContact O-N 3.33Å; T148-E150 VanDerWaalsContact C-N 3.34Å; T148-E150 PolarHBondContact O-N 3.22Å; E150-A153 PolarHBondContact O-N 3.26Å; E150-S154 VanDerWaalsContact O-CB 3.31Å; E150-S154 WeakPolarHBondContact O-CB 3.4Å; E150-S154 PolarHBondContact O-N 3.47Å
151	S	49.7	Very low	49	Very low	70 Å²	70	62.4 Å²	62.4	49%	0.49	33%	0.327	S	S	.	.	H	α-helix	trans	-60.5	-47.2	174.8	-176	0	0	0	0	111.2	Q147 T148 A153 S154 E155	Q147-S151 WeakPolarHBondContact O-CB 3.41Å; Q147-S151 PolarHBondContact O-N 3.03Å; T148-S151 PolarHBondContact O-N 3.3Å; S151-A153 PolarHBondContact O-N 2.86Å; S151-S154 WeakPolarHBondContact O-CB 3.46Å; S151-S154 PolarHBondContact O-N 3.44Å; S151-E155 PolarHBondContact O-N 3.34Å
152	E	51.8	Low	51	Low	92 Å²	92	58.4 Å²	58.4	43%	0.43	30%	0.304	S	S	.	.	H	α-helix	trans	-63.6	-39.7	175.2	-74.1	-172.5	-176.4	0	0	112.5	T148 E155 R156	T148-E152 WeakPolarHBondContact O-CG 3.45Å; T148-E152 PolarHBondContact O-N 2.9Å; E152-E155 PolarHBondContact O-N 2.83Å; E152-R156 WeakPolarHBondContact O-CB 3.45Å; E152-R156 WeakPolarHBondContact O-CD 3.19Å; E152-R156 WeakPolarHBondContact O-CG 3.42Å; E152-R156 PolarHBondContact O-N 2.95Å; E152-R156 IonicContact OE2-CZ 2.84Å; E152-R156 IonicContact OE2-NH2 3.4Å; E152-R156 PolarHBondContact OE2-NH2 3.05Å
153	A	52.5	Low	52.7	Low	14 Å²	14	53.7 Å²	53.7	12%	0.116	28%	0.282	C	S	.	.	H	α-helix	trans	-64.9	-40.8	176.8	0	0	0	0	0	111.4	A149 E150 S151 R156 L157 W196	A149-A153 WeakPolarHBondContact O-CB 3.4Å; A149-A153 PolarHBondContact O-N 3.03Å; E150-A153 PolarHBondContact O-N 3.26Å; S151-A153 PolarHBondContact O-N 2.86Å; A153-R156 PolarHBondContact O-N 2.83Å; A153-L157 VanDerWaalsContact O-CB 3.3Å; A153-L157 WeakPolarHBondContact O-CB 3.32Å; A153-L157 WeakPolarHBondContact O-CG 3.38Å; A153-L157 PolarHBondContact O-N 3.33Å; A153-W196 HydrophobicContact CB-CD2 4.42Å; A153-W196 HydrophobicContact CB-CE3 4.46Å; A153-W196 HydrophobicContact CB-CH2 4.05Å; A153-W196 HydrophobicContact CB-CZ2 4.01Å; A153-W196 HydrophobicContact CB-CZ3 4.28Å
154	S	58.9	Low	54.4	Low	39 Å²	39	49.8 Å²	49.8	27%	0.273	26%	0.261	S	S	.	.	H	α-helix	trans	-61.2	-44	175.2	-175.4	0	0	0	0	111.7	E150 S151 L157 R158	E150-S154 VanDerWaalsContact O-CB 3.31Å; E150-S154 WeakPolarHBondContact O-CB 3.4Å; E150-S154 PolarHBondContact O-N 3.47Å; S151-S154 WeakPolarHBondContact O-CB 3.46Å; S151-S154 PolarHBondContact O-N 3.44Å; S154-L157 WeakPolarHBondContact O-CB 3.48Å; S154-L157 PolarHBondContact O-N 3.45Å; S154-R158 VanDerWaalsContact O-CG 3.25Å; S154-R158 WeakPolarHBondContact O-CG 3.45Å; S154-R158 PolarHBondContact O-N 3.37Å; S154-R158 PolarHBondContact OG-NE 2.91Å; S154-R158 PolarHBondContact OG-NH2 2.83Å
155	E	61.4	Low	56.4	Low	84 Å²	84	49.1 Å²	49.1	39%	0.393	25%	0.252	S	S	.	.	H	α-helix	trans	-63.5	-47.9	176.5	-168.9	-179.9	-174.5	0	0	112	S151 E152 L157 R158 C159 M189	S151-E155 PolarHBondContact O-N 3.34Å; E152-E155 PolarHBondContact O-N 2.83Å; E155-L157 VanDerWaalsContact C-N 3.3Å; E155-L157 PolarHBondContact O-N 3.09Å; E155-R158 PolarHBondContact O-N 3.35Å; E155-C159 PolarHBondContact O-N 3.49Å; E155-M189 HydrophobicContact CG-CE 3.93Å
156	R	63	Low	58.4	Low	55 Å²	55	45.5 Å²	45.5	21%	0.208	23%	0.233	C	C	.	.	H	α-helix	trans	-57.5	-43.5	176.2	-72.4	168.3	-173.3	157.7	12.8	111.7	E152 A153 C159 Y160 M189 A193	E152-R156 WeakPolarHBondContact O-CB 3.45Å; E152-R156 WeakPolarHBondContact O-CD 3.19Å; E152-R156 WeakPolarHBondContact O-CG 3.42Å; E152-R156 PolarHBondContact O-N 2.95Å; E152-R156 IonicContact OE2-CZ 2.84Å; E152-R156 IonicContact OE2-NH2 3.4Å; E152-R156 PolarHBondContact OE2-NH2 3.05Å; A153-R156 PolarHBondContact O-N 2.83Å; R156-C159 WeakPolarHBondContact O-CB 3.13Å; R156-C159 PolarHBondContact O-N 3.25Å; R156-Y160 PolarHBondContact O-N 2.98Å; R156-M189 HydrophobicContact CG-CB 4.42Å; R156-M189 HydrophobicContact CG-CE 4.41Å; R156-A193 HydrophobicContact CB-CB 3.96Å; R156-A193 WeakPolarHBondContact O-CB 3.43Å
157	L	63.6	Low	60.2	Low	36 Å²	36	41.2 Å²	41.2	19%	0.188	21%	0.213	C	C	.	.	H	α-helix	trans	-62.2	-44.1	176.1	-93.7	169	0	0	0	113	I78 A153 S154 E155 Y160 R161 F197	I78-L157 HydrophobicContact CB-CD2 4.13Å; I78-L157 HydrophobicContact CD1-CD2 3.62Å; I78-L157 HydrophobicContact CG2-CD2 4.04Å; A153-L157 VanDerWaalsContact O-CB 3.3Å; A153-L157 WeakPolarHBondContact O-CB 3.32Å; A153-L157 WeakPolarHBondContact O-CG 3.38Å; A153-L157 PolarHBondContact O-N 3.33Å; S154-L157 WeakPolarHBondContact O-CB 3.48Å; S154-L157 PolarHBondContact O-N 3.45Å; E155-L157 VanDerWaalsContact C-N 3.3Å; E155-L157 PolarHBondContact O-N 3.09Å; L157-Y160 PolarHBondContact O-N 3.11Å; L157-R161 WeakPolarHBondContact O-CG 3.45Å; L157-R161 PolarHBondContact O-N 2.95Å; L157-F197 HydrophobicContact CD1-CE2 4.04Å; L157-F197 HydrophobicContact CD1-CZ 3.86Å; L157-F197 HydrophobicContact CD2-CD2 4.34Å; L157-F197 HydrophobicContact CD2-CE2 3.21Å; L157-F197 HydrophobicContact CD2-CZ 3.52Å; L157-F197 HydrophobicContact CG-CE2 3.8Å; L157-F197 HydrophobicContact CG-CZ 4.09Å
158	R	67.4	Low	61.9	Low	29 Å²	29	36.6 Å²	36.6	11%	0.109	19%	0.192	C	C	.	.	H	α-helix	trans	-64.1	-42.5	176.1	-72.1	169.7	-173.1	167.6	-4.5	111.5	W107 P108 S154 E155 Y160 R161 R162	W107-R158 PolarHBondContact O-NE 3.07Å; W107-R158 PolarHBondContact O-NH1 3.26Å; W107-R158 PolarHBondContact O-NH2 3.1Å; P108-R158 PolarHBondContact O-NH1 2.84Å; S154-R158 VanDerWaalsContact O-CG 3.25Å; S154-R158 WeakPolarHBondContact O-CG 3.45Å; S154-R158 PolarHBondContact O-N 3.37Å; S154-R158 PolarHBondContact OG-NE 2.91Å; S154-R158 PolarHBondContact OG-NH2 2.83Å; E155-R158 PolarHBondContact O-N 3.35Å; R158-Y160 VanDerWaalsContact C-N 3.35Å; R158-Y160 PolarHBondContact O-N 3.17Å; R158-R161 WeakPolarHBondContact O-CB 3.28Å; R158-R161 PolarHBondContact O-N 3.47Å; R158-R162 PolarHBondContact O-N 2.95Å
159	C	70	Confident	63.8	Low	17 Å²	17	33.6 Å²	33.6	12%	0.115	17%	0.173	C	C	.	.	H	α-helix	trans	-57.8	-46.1	173.9	-99.2	0	0	0	0	112.3	E155 R156 R162 Q163 C185	E155-C159 PolarHBondContact O-N 3.49Å; R156-C159 WeakPolarHBondContact O-CB 3.13Å; R156-C159 PolarHBondContact O-N 3.25Å; C159-R162 PolarHBondContact O-N 2.67Å; C159-Q163 WeakPolarHBondContact O-CG 3.33Å; C159-Q163 PolarHBondContact O-N 3.04Å; C159-C185 WeakPolarHBondContact CA-SG 3.48Å; C159-C185 HydrophobicContact CB-CB 3.7Å; C159-C185 WeakPolarHBondContact CB-SG 3.47Å; C159-C185 WeakPolarHBondContact SG-CB 3.25Å; C159-C185 CovalentContact SG-SG 2.04Å; C159-C185 PolarHBondContact SG-SG 3.34Å
160	Y	68.1	Low	65.4	Low	1 Å²	1	31.9 Å²	31.9	0%	0.004	16%	0.159	C	C	.	.	H	α-helix	trans	-61	-44.8	174.8	175.9	-91.7	0	0	0	112.1	I78 I82 D85 R156 L157 R158 R162 Q163 L164 I190 I194	I78-Y160 HydrophobicContact CB-CE1 4.4Å; I78-Y160 HydrophobicContact CD1-CD1 4Å; I78-Y160 HydrophobicContact CD1-CE1 4.42Å; I78-Y160 HydrophobicContact CG1-CD1 4.24Å; I78-Y160 HydrophobicContact CG1-CE1 4.16Å; I78-Y160 HydrophobicContact CG2-CD1 3.65Å; I78-Y160 HydrophobicContact CG2-CE1 3.4Å; I78-Y160 VanDerWaalsContact CG2-CE1 3.4Å; I82-Y160 WeakPolarHBondContact CA-OH 3.21Å; I82-Y160 HydrophobicContact CD1-CE2 4.16Å; I82-Y160 HydrophobicContact CG1-CE2 3.64Å; I82-Y160 WeakPolarHBondContact CG1-OH 3.43Å; D85-Y160 WeakPolarHBondContact OD2-CE1 3.39Å; D85-Y160 PolarHBondContact OD2-OH 2.9Å; R156-Y160 PolarHBondContact O-N 2.98Å; L157-Y160 PolarHBondContact O-N 3.11Å; R158-Y160 VanDerWaalsContact C-N 3.35Å; R158-Y160 PolarHBondContact O-N 3.17Å; Y160-R162 PolarHBondContact O-N 3.43Å; Y160-Q163 PolarHBondContact O-N 3.5Å; Y160-L164 WeakPolarHBondContact O-CB 3.36Å; Y160-L164 PolarHBondContact O-N 2.89Å; Y160-I190 HydrophobicContact CD2-CG2 4.12Å; Y160-I194 HydrophobicContact CD2-CD1 4.32Å; Y160-I194 HydrophobicContact CD2-CG1 3.91Å; Y160-I194 HydrophobicContact CE2-CD1 4.1Å; Y160-I194 HydrophobicContact CE2-CG1 3.76Å
161	R	70.3	Confident	66.8	Low	64 Å²	64	28.8 Å²	28.8	24%	0.242	14%	0.144	C	C	.	.	H	α-helix	trans	-56.1	-50.5	175.8	-75.9	174.6	-178.1	176.2	4.7	112	I78 L157 R158 Q163 L164 L165	I78-R161 HydrophobicContact CD1-CG 3.31Å; I78-R161 HydrophobicContact CG1-CG 4.44Å; L157-R161 WeakPolarHBondContact O-CG 3.45Å; L157-R161 PolarHBondContact O-N 2.95Å; R158-R161 WeakPolarHBondContact O-CB 3.28Å; R158-R161 PolarHBondContact O-N 3.47Å; R161-Q163 VanDerWaalsContact C-N 3.33Å; R161-Q163 PolarHBondContact O-N 3.47Å; R161-L164 WeakPolarHBondContact O-CB 3.39Å; R161-L164 PolarHBondContact O-N 2.92Å; R161-L165 WeakPolarHBondContact O-CG 3.37Å; R161-L165 PolarHBondContact O-N 3.45Å
162	R	73.1	Confident	67.9	Low	30 Å²	30	25.4 Å²	25.4	11%	0.113	12%	0.12	C	C	.	.	H	α-helix	trans	-59.2	-45.7	179.9	175.7	166.9	-71.6	150	34.9	111.2	D104 R158 C159 Y160 L164 L165 M166 T180 D181 L182	D104-R162 IonicContact OD2-CZ 3.96Å; D104-R162 IonicContact OD2-NE 3.78Å; D104-R162 PolarHBondContact OD2-NE 3.41Å; D104-R162 IonicContact OD2-NH2 2.73Å; D104-R162 PolarHBondContact OD2-NH2 3.19Å; R158-R162 PolarHBondContact O-N 2.95Å; C159-R162 PolarHBondContact O-N 2.67Å; Y160-R162 PolarHBondContact O-N 3.43Å; R162-L164 VanDerWaalsContact C-N 3.34Å; R162-L164 PolarHBondContact O-N 3.47Å; R162-L165 PolarHBondContact O-N 3.18Å; R162-M166 HydrophobicContact CG-CG 4.41Å; R162-M166 HydrophobicContact CG-SD 4.2Å; R162-M166 WeakPolarHBondContact O-CG 3.47Å; R162-M166 PolarHBondContact O-N 3.01Å; R162-T180 VanDerWaalsContact CZ-OG1 3.22Å; R162-T180 PolarHBondContact NH1-OG1 3.29Å; R162-T180 PolarHBondContact NH2-OG1 3.08Å; R162-D181 PolarHBondContact NH1-O 3.41Å; R162-L182 HydrophobicContact CG-CD2 4.06Å
163	Q	71.3	Confident	69	Low	11 Å²	11	22 Å²	22	5%	0.051	10%	0.104	C	C	.	.	H	α-helix	trans	-64.7	-37.9	178.7	-71.6	-70.2	-21.4	0	0	112.5	C159 Y160 R161 S167 I190 I213	C159-Q163 WeakPolarHBondContact O-CG 3.33Å; C159-Q163 PolarHBondContact O-N 3.04Å; Y160-Q163 PolarHBondContact O-N 3.5Å; R161-Q163 VanDerWaalsContact C-N 3.33Å; R161-Q163 PolarHBondContact O-N 3.47Å; Q163-S167 WeakPolarHBondContact O-CB 3.44Å; Q163-S167 PolarHBondContact O-N 3.25Å; Q163-I190 HydrophobicContact CB-CD1 4.44Å; Q163-I190 HydrophobicContact CG-CD1 3.75Å; Q163-I190 HydrophobicContact CG-CG1 4.41Å; Q163-I213 HydrophobicContact CB-CD1 4.1Å
164	L	70.8	Confident	70.2	Confident	4 Å²	4	21.3 Å²	21.3	2%	0.021	10%	0.099	C	C	.	.	H	α-helix	trans	-61.2	-46.1	172.4	-175.2	71.1	0	0	0	111.2	L76 D85 F86 Y160 R161 R162 S167 L168	L76-L164 HydrophobicContact CD1-CD2 4.01Å; D85-L164 HydrophobicContact CB-CD2 4.07Å; F86-L164 HydrophobicContact CD2-CD1 3.6Å; F86-L164 HydrophobicContact CE1-CD1 4.39Å; F86-L164 HydrophobicContact CE2-CD1 3.35Å; F86-L164 HydrophobicContact CG-CD1 4.2Å; F86-L164 HydrophobicContact CZ-CD1 3.77Å; Y160-L164 WeakPolarHBondContact O-CB 3.36Å; Y160-L164 PolarHBondContact O-N 2.89Å; R161-L164 WeakPolarHBondContact O-CB 3.39Å; R161-L164 PolarHBondContact O-N 2.92Å; R162-L164 VanDerWaalsContact C-N 3.34Å; R162-L164 PolarHBondContact O-N 3.47Å; L164-S167 PolarHBondContact O-N 2.64Å; L164-L168 HydrophobicContact CG-CD1 4.47Å; L164-L168 PolarHBondContact O-N 3.39Å
165	L	73.6	Confident	71.1	Confident	5 Å²	5	19.5 Å²	19.5	3%	0.026	9%	0.086	C	C	.	.	H	α-helix	trans	-66.6	-42.4	179.1	-70.2	174	0	0	0	112.9	F51 D104 R161 R162 S167 L168 S169 L176	F51-L165 HydrophobicContact CB-CD1 4Å; F51-L165 HydrophobicContact CB-CD2 3.57Å; F51-L165 HydrophobicContact CB-CG 4.29Å; F51-L165 HydrophobicContact CD1-CD2 4.37Å; F51-L165 HydrophobicContact CD2-CD2 3.66Å; F51-L165 HydrophobicContact CE2-CD2 4.43Å; F51-L165 HydrophobicContact CG-CD2 3.63Å; D104-L165 HydrophobicContact CB-CD1 3.74Å; R161-L165 WeakPolarHBondContact O-CG 3.37Å; R161-L165 PolarHBondContact O-N 3.45Å; R162-L165 PolarHBondContact O-N 3.18Å; L165-S167 PolarHBondContact O-N 3.03Å; L165-L168 HydrophobicContact CD2-CD1 4.39Å; L165-L168 PolarHBondContact O-N 3.38Å; L165-S169 WeakPolarHBondContact O-CB 3.31Å; L165-S169 PolarHBondContact O-N 3.42Å; L165-L176 HydrophobicContact CB-CD1 3.94Å; L165-L176 HydrophobicContact CB-CD2 3.92Å; L165-L176 HydrophobicContact CD1-CD1 4.25Å
166	M	73.6	Confident	71.9	Confident	29 Å²	29	15.5 Å²	15.5	14%	0.143	7%	0.067	C	C	.	.	H	α-helix	trans	-60.4	-37.9	173.2	-71.5	-177.8	79.7	0	0	111.1	R162 S170 L176 L182	R162-M166 HydrophobicContact CG-CG 4.41Å; R162-M166 HydrophobicContact CG-SD 4.2Å; R162-M166 WeakPolarHBondContact O-CG 3.47Å; R162-M166 PolarHBondContact O-N 3.01Å; M166-S170 WeakPolarHBondContact O-CB 3.46Å; M166-S170 PolarHBondContact O-N 2.95Å; M166-S170 PolarHBondContact O-OG 2.89Å; M166-L176 HydrophobicContact CG-CD2 4.03Å; M166-L182 HydrophobicContact CE-CD1 4.37Å; M166-L182 HydrophobicContact SD-CD2 4.04Å
167	S	71.1	Confident	72.5	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-70	-37.6	175.3	-175.5	0	0	0	0	112.8	F86 Q163 L164 L165 S170 R171 I213	F86-S167 WeakPolarHBondContact CZ-OG 3.23Å; Q163-S167 WeakPolarHBondContact O-CB 3.44Å; Q163-S167 PolarHBondContact O-N 3.25Å; L164-S167 PolarHBondContact O-N 2.64Å; L165-S167 PolarHBondContact O-N 3.03Å; S167-S170 WeakPolarHBondContact CA-OG 3.24Å; S167-S170 PolarHBondContact O-OG 3.18Å; S167-S170 VanDerWaalsContact O-OG 3.08Å; S167-R171 WeakPolarHBondContact O-CB 3.36Å; S167-R171 WeakPolarHBondContact O-CD 3.47Å; S167-R171 WeakPolarHBondContact O-CG 3.39Å; S167-R171 PolarHBondContact O-N 2.93Å; S167-R171 VanDerWaalsContact O-N 3.12Å; S167-R171 PolarHBondContact OG-NE 3.06Å; S167-I213 PolarHBondContact OG-O 3.48Å
168	L	73.1	Confident	73	Confident	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-64.8	-46.8	173.2	-78.2	166.1	0	0	0	111	F86 A89 L102 L164 L165 R171 L172	F86-L168 HydrophobicContact CD1-CD2 3.56Å; F86-L168 HydrophobicContact CD1-CG 4.11Å; F86-L168 HydrophobicContact CE1-CD2 3.49Å; F86-L168 VanDerWaalsContact CE1-CD2 3.49Å; F86-L168 HydrophobicContact CE1-CG 3.67Å; F86-L168 HydrophobicContact CZ-CG 4.48Å; A89-L168 HydrophobicContact CB-CD1 3.97Å; A89-L168 HydrophobicContact CB-CD2 4.47Å; L102-L168 HydrophobicContact CD1-CB 3.87Å; L164-L168 HydrophobicContact CG-CD1 4.47Å; L164-L168 PolarHBondContact O-N 3.39Å; L165-L168 HydrophobicContact CD2-CD1 4.39Å; L165-L168 PolarHBondContact O-N 3.38Å; L168-R171 PolarHBondContact O-N 3.21Å; L168-L172 HydrophobicContact CD2-CD1 3.93Å; L168-L172 VanDerWaalsContact O-CB 3.29Å; L168-L172 WeakPolarHBondContact O-CB 3.43Å; L168-L172 PolarHBondContact O-N 3.04Å
169	S	76.5	Confident	73	Confident	0 Å²	0	9.8 Å²	9.8	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-57.9	-50.3	177.7	175.9	0	0	0	0	112.1	L165 Q173 L174 L221	L165-S169 WeakPolarHBondContact O-CB 3.31Å; L165-S169 PolarHBondContact O-N 3.42Å; S169-Q173 WeakPolarHBondContact O-CA 3.3Å; S169-Q173 PolarHBondContact O-N 3.42Å; S169-L174 WeakPolarHBondContact CA-O 3.23Å; S169-L174 WeakPolarHBondContact CB-O 3.46Å; S169-L174 PolarHBondContact O-N 3.33Å; S169-L174 PolarHBondContact OG-O 3.47Å; S169-L221 PolarHBondContact OG-N 3.45Å
170	S	72.2	Confident	72.7	Confident	1 Å²	1	9.9 Å²	9.9	1%	0.007	4%	0.043	C	C	.	.	H	α-helix	trans	-62.1	-46	178.6	49.6	0	0	0	0	112.8	M166 S167 Q173 S218	M166-S170 WeakPolarHBondContact O-CB 3.46Å; M166-S170 PolarHBondContact O-N 2.95Å; M166-S170 PolarHBondContact O-OG 2.89Å; S167-S170 WeakPolarHBondContact CA-OG 3.24Å; S167-S170 PolarHBondContact O-OG 3.18Å; S167-S170 VanDerWaalsContact O-OG 3.08Å; S170-Q173 PolarHBondContact O-NE2 3.3Å; S170-S218 WeakPolarHBondContact CB-O 3.4Å; S170-S218 WeakPolarHBondContact O-CB 3.46Å; S170-S218 PolarHBondContact O-OG 3.29Å; S170-S218 VanDerWaalsContact O-OG 3.11Å
171	R	71	Confident	72.4	Confident	23 Å²	23	12 Å²	12	9%	0.087	6%	0.055	C	C	.	.	H	α-helix	trans	-76.3	-35.2	-174.3	-65.9	175.6	-171	-132.6	-0.5	113.8	S167 L168 I213 V402	S167-R171 WeakPolarHBondContact O-CB 3.36Å; S167-R171 WeakPolarHBondContact O-CD 3.47Å; S167-R171 WeakPolarHBondContact O-CG 3.39Å; S167-R171 PolarHBondContact O-N 2.93Å; S167-R171 VanDerWaalsContact O-N 3.12Å; S167-R171 PolarHBondContact OG-NE 3.06Å; L168-R171 PolarHBondContact O-N 3.21Å; R171-I213 PolarHBondContact NH2-O 3.29Å; R171-V402 HydrophobicContact CB-CG2 3.98Å
172	L	72.5	Confident	71.9	Confident	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-100.7	-1.8	-177.8	-61.1	175.8	0	0	0	113.1	L93 L168 L174 V397 V402 Y425	L93-L172 HydrophobicContact CD1-CD1 3.44Å; L93-L172 VanDerWaalsContact CD1-CD1 3.44Å; L168-L172 HydrophobicContact CD2-CD1 3.93Å; L168-L172 VanDerWaalsContact O-CB 3.29Å; L168-L172 WeakPolarHBondContact O-CB 3.43Å; L168-L172 PolarHBondContact O-N 3.04Å; L172-L174 HydrophobicContact CB-CD1 3.91Å; L172-L174 HydrophobicContact CB-CG 3.81Å; L172-L174 HydrophobicContact CD1-CD1 3.96Å; L172-L174 PolarHBondContact O-N 2.94Å; L172-V397 HydrophobicContact CB-CG1 4.44Å; L172-V397 HydrophobicContact CD1-CG1 4.27Å; L172-V397 HydrophobicContact CD2-CG1 4.25Å; L172-V402 HydrophobicContact CD1-CG2 4.48Å; L172-V402 HydrophobicContact CD2-CG2 3.48Å; L172-V402 VanDerWaalsContact CD2-CG2 3.48Å; L172-V402 HydrophobicContact CG-CG2 3.88Å; L172-Y425 VanDerWaalsContact O-CB 3.31Å; L172-Y425 WeakPolarHBondContact O-CB 3.25Å
173	Q	75.9	Confident	71.1	Confident	20 Å²	20	14.9 Å²	14.9	9%	0.093	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	40.2	-175.2	-65.7	-67.6	-60.2	0	0	112	S169 S170 L221 L423 G428	S169-Q173 WeakPolarHBondContact O-CA 3.3Å; S169-Q173 PolarHBondContact O-N 3.42Å; S170-Q173 PolarHBondContact O-NE2 3.3Å; Q173-L221 HydrophobicContact CB-CD1 4.38Å; Q173-L221 WeakPolarHBondContact O-CD1 3.44Å; Q173-L423 WeakPolarHBondContact CG-O 3.46Å; Q173-G428 WeakPolarHBondContact O-CA 3.48Å
174	L	77	Confident	70.2	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.1	C	C	.	.			trans	-91.1	134	175.6	-65.6	173.7	0	0	0	109.6	L93 I100 L102 S169 L172 L176 V397 Y425	L93-L174 HydrophobicContact CD1-CD1 4.08Å; L93-L174 HydrophobicContact CD2-CD1 3.97Å; I100-L174 HydrophobicContact CB-CD2 4.1Å; I100-L174 HydrophobicContact CG2-CD2 4.4Å; L102-L174 HydrophobicContact CD1-CB 3.98Å; L102-L174 HydrophobicContact CD1-CD1 4.16Å; L102-L174 HydrophobicContact CD2-CD1 4.12Å; L102-L174 HydrophobicContact CG-CB 4.02Å; L102-L174 HydrophobicContact CG-CD1 4.12Å; S169-L174 WeakPolarHBondContact CA-O 3.23Å; S169-L174 WeakPolarHBondContact CB-O 3.46Å; S169-L174 PolarHBondContact O-N 3.33Å; S169-L174 PolarHBondContact OG-O 3.47Å; L172-L174 HydrophobicContact CB-CD1 3.91Å; L172-L174 HydrophobicContact CB-CG 3.81Å; L172-L174 HydrophobicContact CD1-CD1 3.96Å; L172-L174 PolarHBondContact O-N 2.94Å; L174-L176 PolarHBondContact O-N 3.45Å; L174-V397 HydrophobicContact CD2-CG2 4.19Å; L174-Y425 HydrophobicContact CD2-CD1 3.63Å; L174-Y425 HydrophobicContact CD2-CE1 3.54Å
175	P	78.2	Confident	69.6	Low	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	129.1	172.3	24.7	-30	0	0	0	109.1	A101 L102 L221 L431 H432 I435	A101-P175 HydrophobicContact CB-CG 3.82Å; L102-P175 PolarHBondContact N-O 2.9Å; P175-L221 CarbonylContact C-O 3.52Å; P175-L221 WeakPolarHBondContact CA-O 2.91Å; P175-L431 HydrophobicContact CG-CB 4.14Å; P175-L431 HydrophobicContact CG-CD2 3.76Å; P175-L431 HydrophobicContact CG-CG 3.99Å; P175-H432 HydrophobicContact CB-CB 4.37Å; P175-I435 HydrophobicContact CB-CD1 4.25Å
176	L	77.2	Confident	68.8	Low	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.3	175.6	171.8	63.6	0	0	0	108.6	L102 L165 M166 L174 T178 L221 V222 H223	L102-L176 HydrophobicContact CB-CB 4.28Å; L102-L176 HydrophobicContact CB-CD1 3.62Å; L102-L176 CarbonylContact O-C 3.52Å; L102-L176 VanDerWaalsContact O-CA 3.31Å; L102-L176 WeakPolarHBondContact O-CA 3.44Å; L165-L176 HydrophobicContact CB-CD1 3.94Å; L165-L176 HydrophobicContact CB-CD2 3.92Å; L165-L176 HydrophobicContact CD1-CD1 4.25Å; M166-L176 HydrophobicContact CG-CD2 4.03Å; L174-L176 PolarHBondContact O-N 3.45Å; L176-T178 HydrophobicContact CD1-CG2 4.24Å; L176-T178 HydrophobicContact CD2-CG2 4.04Å; L176-T178 HydrophobicContact CG-CG2 3.85Å; L176-L221 PolarHBondContact N-O 3.05Å; L176-V222 HydrophobicContact CB-CG1 4.29Å; L176-V222 HydrophobicContact CB-CG2 4.33Å; L176-V222 HydrophobicContact CD2-CG1 4.08Å; L176-V222 HydrophobicContact CD2-CG2 4.08Å; L176-V222 HydrophobicContact CG-CG1 4.05Å; L176-V222 CarbonylContact O-C 3.52Å; L176-V222 VanDerWaalsContact O-CA 3.24Å; L176-V222 WeakPolarHBondContact O-CA 3.47Å; L176-H223 PolarHBondContact O-N 3.22Å
177	V	75.9	Confident	68	Low	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	125.8	172.6	178.7	0	0	0	0	108.9	L102 V103 D104 H223 I225 I376 L380 I435	L102-V177 PolarHBondContact O-N 3.45Å; V103-V177 CarbonylContact C-O 3.3Å; V103-V177 VanDerWaalsContact CA-O 3.31Å; V103-V177 WeakPolarHBondContact CA-O 3.43Å; V103-V177 HydrophobicContact CG2-CB 4.33Å; D104-V177 PolarHBondContact N-O 3.14Å; V177-H223 WeakPolarHBondContact CA-O 3.36Å; V177-H223 HydrophobicContact CG2-CB 4.31Å; V177-I225 HydrophobicContact CG1-CD1 3.4Å; V177-I225 VanDerWaalsContact CG1-CD1 3.4Å; V177-I225 HydrophobicContact CG1-CG1 3.93Å; V177-I376 HydrophobicContact CG1-CD1 4.15Å; V177-I376 HydrophobicContact CG1-CG1 4.35Å; V177-I376 HydrophobicContact CG1-CG2 3.83Å; V177-L380 HydrophobicContact CG2-CD2 4.05Å; V177-I435 HydrophobicContact CG2-CD1 4.44Å
178	T	73.7	Confident	67.3	Low	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	138.8	177.4	70.4	0	0	0	0	110.7	D104 L176 T180 L182 V222 H223 S224 I225 G226	D104-T178 HydrophobicContact CB-CG2 3.85Å; L176-T178 HydrophobicContact CD1-CG2 4.24Å; L176-T178 HydrophobicContact CD2-CG2 4.04Å; L176-T178 HydrophobicContact CG-CG2 3.85Å; T178-T180 PolarHBondContact O-N 3.42Å; T178-T180 PolarHBondContact OG1-O 3.17Å; T178-L182 HydrophobicContact CG2-CD2 4.01Å; T178-V222 HydrophobicContact CG2-CG1 3.95Å; T178-H223 PolarHBondContact N-O 3.21Å; T178-S224 WeakPolarHBondContact OG1-CA 2.78Å; T178-I225 PolarHBondContact O-N 3.26Å; T178-G226 PolarHBondContact O-N 3.35Å
179	I	68.7	Low	66.7	Low	1 Å²	1	30.3 Å²	30.3	1%	0.005	17%	0.17	C	C	.	.	S	Bend	trans	-83.4	3.4	179	69.4	176	0	0	0	113.6	D104 S105 S106 W107 G226 H369 M372 I376	D104-I179 WeakPolarHBondContact O-CG2 3.34Å; D104-I179 PolarHBondContact O-N 3.01Å; S105-I179 WeakPolarHBondContact O-CD1 3.36Å; S106-I179 WeakPolarHBondContact O-CG1 3.47Å; W107-I179 HydrophobicContact CB-CD1 4.38Å; W107-I179 HydrophobicContact CD2-CD1 4.5Å; W107-I179 HydrophobicContact CE3-CD1 3.53Å; W107-I179 HydrophobicContact CE3-CG1 3.91Å; W107-I179 HydrophobicContact CZ3-CB 4.49Å; W107-I179 HydrophobicContact CZ3-CD1 4.23Å; W107-I179 HydrophobicContact CZ3-CG1 4.29Å; W107-I179 WeakPolarHBondContact CZ3-O 3.35Å; I179-G226 VanDerWaalsContact C-CA 3.5Å; I179-G226 VanDerWaalsContact O-CA 3.26Å; I179-G226 WeakPolarHBondContact O-CA 3.17Å; I179-H369 WeakPolarHBondContact CD1-CE1 3.35Å; I179-H369 WeakPolarHBondContact CD1-ND1 3.37Å; I179-M372 HydrophobicContact CB-CE 4.36Å; I179-M372 WeakPolarHBondContact O-CE 3.46Å; I179-I376 HydrophobicContact CB-CD1 4.09Å; I179-I376 HydrophobicContact CG2-CD1 3.19Å
180	T	63.8	Low	65.8	Low	18 Å²	18	30.7 Å²	30.7	11%	0.11	17%	0.173	C	C	.	.	S	Bend	trans	-138.1	152.8	-173.1	27.5	0	0	0	0	108.8	W107 P108 R162 T178 S224	W107-T180 HydrophobicContact CE3-CG2 4.43Å; P108-T180 HydrophobicContact CG-CG2 4.1Å; R162-T180 VanDerWaalsContact CZ-OG1 3.22Å; R162-T180 PolarHBondContact NH1-OG1 3.29Å; R162-T180 PolarHBondContact NH2-OG1 3.08Å; T178-T180 PolarHBondContact O-N 3.42Å; T178-T180 PolarHBondContact OG1-O 3.17Å; T180-S224 PolarHBondContact O-OG 3.1Å
181	D	62.1	Low	65.1	Low	46 Å²	46	31.9 Å²	31.9	25%	0.246	18%	0.179	C	C	.	.			trans	-60	140.3	177.3	-152.4	-19.6	0	0	0	110.2	R162 E183 S224 S228	R162-D181 PolarHBondContact NH1-O 3.41Å; D181-E183 VanDerWaalsContact C-N 3.31Å; D181-E183 PolarHBondContact O-N 3.49Å; D181-E183 VanDerWaalsContact O-N 3.11Å; D181-S224 WeakPolarHBondContact CA-OG 2.99Å; D181-S228 WeakPolarHBondContact OD2-CB 3.35Å; D181-S228 PolarHBondContact OD2-OG 3.25Å
182	L	59.1	Low	64.5	Low	26 Å²	26	32.8 Å²	32.8	14%	0.136	19%	0.188	C	C	.	.			trans	-86	76.2	179.7	-72.6	175.6	0	0	0	109	R162 M166 T178 V222	R162-L182 HydrophobicContact CG-CD2 4.06Å; M166-L182 HydrophobicContact CE-CD1 4.37Å; M166-L182 HydrophobicContact SD-CD2 4.04Å; T178-L182 HydrophobicContact CG2-CD2 4.01Å; L182-V222 HydrophobicContact CD1-CB 3.77Å; L182-V222 HydrophobicContact CD1-CG1 3.34Å; L182-V222 HydrophobicContact CD1-CG2 4.16Å; L182-V222 HydrophobicContact CD2-CG1 4.41Å; L182-V222 HydrophobicContact CG-CG1 4.24Å
183	E	55.7	Low	63.8	Low	128 Å²	128	33 Å²	33	60%	0.598	19%	0.19	S	C	*	.			trans	-76.9	136.6	162.9	-68.4	-171.6	174.9	0	0	109.8	D181 C185	D181-E183 VanDerWaalsContact C-N 3.31Å; D181-E183 PolarHBondContact O-N 3.49Å; D181-E183 VanDerWaalsContact O-N 3.11Å; E183-C185 PolarHBondContact O-N 3.11Å
184	E	52.7	Low	62.9	Low	134 Å²	134	33 Å²	33	63%	0.626	19%	0.191	S	C	*	.			trans	-64.9	107	175.9	-76.8	-169	174.8	0	0	109.5	R212	E184-R212 IonicContact OE1-CZ 3.62Å; E184-R212 IonicContact OE1-NH1 3.45Å; E184-R212 PolarHBondContact OE1-NH1 2.71Å; E184-R212 IonicContact OE1-NH2 3.87Å; E184-R212 PolarHBondContact OE1-NH2 2.92Å; E184-R212 IonicContact OE2-NH1 2.68Å
185	C	59	Low	61.9	Low	18 Å²	18	38.5 Å²	38.5	12%	0.122	22%	0.215	C	C	.	.			trans	-56.9	127.4	172.9	-67.6	0	0	0	0	110.6	C159 E183 G187 I190	C159-C185 WeakPolarHBondContact CA-SG 3.48Å; C159-C185 HydrophobicContact CB-CB 3.7Å; C159-C185 WeakPolarHBondContact CB-SG 3.47Å; C159-C185 WeakPolarHBondContact SG-CB 3.25Å; C159-C185 CovalentContact SG-SG 2.04Å; C159-C185 PolarHBondContact SG-SG 3.34Å; E183-C185 PolarHBondContact O-N 3.11Å; C185-G187 PolarHBondContact O-N 2.88Å; C185-I190 HydrophobicContact CB-CG1 4.45Å
186	P	57	Low	60.7	Low	69 Å²	69	45 Å²	45	45%	0.448	24%	0.239	S	C	.	.			trans	-56.6	137	175.7	-22.8	31.6	0	0	0	110.8	S188 M189 I190	P186-S188 PolarHBondContact O-N 3.12Å; P186-M189 HydrophobicContact CB-CG 4.47Å; P186-M189 HydrophobicContact CG-CG 4.47Å; P186-M189 HydrophobicContact CG-SD 4.26Å; P186-M189 PolarHBondContact O-N 2.91Å; P186-I190 PolarHBondContact O-N 3.26Å
187	G	55	Low	59.3	Low	36 Å²	36	48.3 Å²	48.3	37%	0.371	25%	0.254	S	S	.	.	H	α-helix	trans	-54.4	-31.3	179.4	0	0	0	0	0	113.3	C185 M189 I190 D191	C185-G187 PolarHBondContact O-N 2.88Å; G187-M189 VanDerWaalsContact C-N 3.34Å; G187-M189 PolarHBondContact O-N 3.43Å; G187-I190 PolarHBondContact O-N 3.48Å; G187-D191 PolarHBondContact O-N 3.32Å
188	S	57.8	Low	57.8	Low	76 Å²	76	51.2 Å²	51.2	53%	0.531	27%	0.274	S	S	.	.	H	α-helix	trans	-61.8	-34.5	175	54.6	0	0	0	0	114	P186 S192	P186-S188 PolarHBondContact O-N 3.12Å; S188-S192 WeakPolarHBondContact O-CB 3.44Å; S188-S192 PolarHBondContact O-N 3.17Å; S188-S192 PolarHBondContact O-OG 2.91Å
189	M	59.3	Low	56.2	Low	40 Å²	40	60.3 Å²	60.3	20%	0.197	31%	0.314	C	S	.	.	H	α-helix	trans	-71.5	-39.2	177.1	-71.3	-174.2	105.7	0	0	111.1	E155 R156 P186 G187 S192 A193	E155-M189 HydrophobicContact CG-CE 3.93Å; R156-M189 HydrophobicContact CG-CB 4.42Å; R156-M189 HydrophobicContact CG-CE 4.41Å; P186-M189 HydrophobicContact CB-CG 4.47Å; P186-M189 HydrophobicContact CG-CG 4.47Å; P186-M189 HydrophobicContact CG-SD 4.26Å; P186-M189 PolarHBondContact O-N 2.91Å; G187-M189 VanDerWaalsContact C-N 3.34Å; G187-M189 PolarHBondContact O-N 3.43Å; M189-S192 PolarHBondContact O-N 2.82Å; M189-A193 PolarHBondContact O-N 3.06Å
190	I	57.6	Low	54.8	Low	9 Å²	9	65.1 Å²	65.1	5%	0.046	35%	0.348	C	S	.	.	H	α-helix	trans	-63.9	-47.5	175.9	-54.9	172.5	0	0	0	109.8	Y160 Q163 C185 P186 G187 S192 A193 I194 I213	Y160-I190 HydrophobicContact CD2-CG2 4.12Å; Q163-I190 HydrophobicContact CB-CD1 4.44Å; Q163-I190 HydrophobicContact CG-CD1 3.75Å; Q163-I190 HydrophobicContact CG-CG1 4.41Å; C185-I190 HydrophobicContact CB-CG1 4.45Å; P186-I190 PolarHBondContact O-N 3.26Å; G187-I190 PolarHBondContact O-N 3.48Å; I190-S192 VanDerWaalsContact C-N 3.26Å; I190-S192 PolarHBondContact O-N 2.83Å; I190-A193 WeakPolarHBondContact O-CB 3.49Å; I190-A193 PolarHBondContact O-N 2.71Å; I190-I194 HydrophobicContact CG2-CD1 4Å; I190-I194 WeakPolarHBondContact O-CG1 3.25Å; I190-I194 PolarHBondContact O-N 2.89Å; I190-I213 HydrophobicContact CG2-CD1 4.24Å
191	D	58.1	Low	53.3	Low	25 Å²	25	71.4 Å²	71.4	13%	0.134	37%	0.374	C	S	.	.	H	α-helix	trans	-57.5	-41.9	176.2	-72.5	0.1	0	0	0	111.4	G187 I194 K195 H210	G187-D191 PolarHBondContact O-N 3.32Å; D191-I194 PolarHBondContact O-N 3.38Å; D191-K195 WeakPolarHBondContact O-CB 3.26Å; D191-K195 VanDerWaalsContact O-CG 3.3Å; D191-K195 WeakPolarHBondContact O-CG 3.32Å; D191-K195 PolarHBondContact O-N 2.98Å; D191-H210 WeakPolarHBondContact OD1-CB 3.41Å; D191-H210 IonicContact OD1-CD2 2.91Å; D191-H210 PolarHBondContact OD1-CD2 3.48Å; D191-H210 IonicContact OD1-CG 3.85Å; D191-H210 PolarHBondContact OD1-N 3.42Å
192	S	58.3	Low	51.9	Low	42 Å²	42	75.7 Å²	75.7	29%	0.294	40%	0.401	S	S	.	.	H	α-helix	trans	-67.7	-40.2	179.4	-59.4	0	0	0	0	111.9	S188 M189 I190 K195 W196	S188-S192 WeakPolarHBondContact O-CB 3.44Å; S188-S192 PolarHBondContact O-N 3.17Å; S188-S192 PolarHBondContact O-OG 2.91Å; M189-S192 PolarHBondContact O-N 2.82Å; I190-S192 VanDerWaalsContact C-N 3.26Å; I190-S192 PolarHBondContact O-N 2.83Å; S192-K195 PolarHBondContact O-N 2.98Å; S192-W196 PolarHBondContact O-N 3.26Å
193	A	58.9	Low	50.5	Low	4 Å²	4	83.8 Å²	83.8	3%	0.033	44%	0.435	C	S	.	.	H	α-helix	trans	-59.8	-49.1	173.9	0	0	0	0	0	111.1	R156 M189 I190 K195 W196 F197	R156-A193 HydrophobicContact CB-CB 3.96Å; R156-A193 WeakPolarHBondContact O-CB 3.43Å; M189-A193 PolarHBondContact O-N 3.06Å; I190-A193 WeakPolarHBondContact O-CB 3.49Å; I190-A193 PolarHBondContact O-N 2.71Å; A193-K195 VanDerWaalsContact C-N 3.34Å; A193-K195 PolarHBondContact O-N 3.12Å; A193-W196 WeakPolarHBondContact O-CB 3.02Å; A193-W196 PolarHBondContact O-N 3.43Å; A193-F197 VanDerWaalsContact O-CD2 3.32Å; A193-F197 WeakPolarHBondContact O-CD2 3.24Å
194	I	56.9	Low	49.3	Very low	22 Å²	22	86.5 Å²	86.5	11%	0.113	45%	0.448	C	S	.	.	H	α-helix	trans	-61.8	-43.9	179.3	-65.9	166.6	0	0	0	110.5	I82 Y160 I190 D191 W196 F197 S198	I82-I194 HydrophobicContact CD1-CD1 3.98Å; Y160-I194 HydrophobicContact CD2-CD1 4.32Å; Y160-I194 HydrophobicContact CD2-CG1 3.91Å; Y160-I194 HydrophobicContact CE2-CD1 4.1Å; Y160-I194 HydrophobicContact CE2-CG1 3.76Å; I190-I194 HydrophobicContact CG2-CD1 4Å; I190-I194 WeakPolarHBondContact O-CG1 3.25Å; I190-I194 PolarHBondContact O-N 2.89Å; D191-I194 PolarHBondContact O-N 3.38Å; I194-W196 VanDerWaalsContact C-N 3.31Å; I194-W196 PolarHBondContact O-N 2.97Å; I194-F197 PolarHBondContact O-N 3.45Å; I194-S198 WeakPolarHBondContact O-CB 3.41Å; I194-S198 PolarHBondContact O-N 3.27Å
195	K	55.4	Low	48.3	Very low	115 Å²	115	90.3 Å²	90.3	50%	0.5	46%	0.456	S	S	.	.	H	α-helix	trans	-60.1	-41	178.9	-80.9	177	-175.4	174.2	0	112.4	D191 S192 A193 F197 S198 F199	D191-K195 WeakPolarHBondContact O-CB 3.26Å; D191-K195 VanDerWaalsContact O-CG 3.3Å; D191-K195 WeakPolarHBondContact O-CG 3.32Å; D191-K195 PolarHBondContact O-N 2.98Å; S192-K195 PolarHBondContact O-N 2.98Å; A193-K195 VanDerWaalsContact C-N 3.34Å; A193-K195 PolarHBondContact O-N 3.12Å; K195-F197 VanDerWaalsContact C-N 3.3Å; K195-F197 PolarHBondContact O-N 3.18Å; K195-S198 VanDerWaalsContact CA-OG 3.3Å; K195-S198 WeakPolarHBondContact CA-OG 3.21Å; K195-S198 PolarHBondContact O-N 2.85Å; K195-S198 VanDerWaalsContact O-N 3.1Å; K195-S198 PolarHBondContact O-OG 2.81Å; K195-F199 PolarHBondContact O-N 2.86Å
196	W	52.2	Low	47.1	Very low	136 Å²	136	94.1 Å²	94.1	52%	0.515	48%	0.483	S	S	.	.	H	α-helix	trans	-56.6	-41.7	-180	-160.1	-72.2	0	0	0	112.3	A149 A153 S192 A193 I194	A149-W196 HydrophobicContact CB-CH2 4.48Å; A153-W196 HydrophobicContact CB-CD2 4.42Å; A153-W196 HydrophobicContact CB-CE3 4.46Å; A153-W196 HydrophobicContact CB-CH2 4.05Å; A153-W196 HydrophobicContact CB-CZ2 4.01Å; A153-W196 HydrophobicContact CB-CZ3 4.28Å; S192-W196 PolarHBondContact O-N 3.26Å; A193-W196 WeakPolarHBondContact O-CB 3.02Å; A193-W196 PolarHBondContact O-N 3.43Å; I194-W196 VanDerWaalsContact C-N 3.31Å; I194-W196 PolarHBondContact O-N 2.97Å
197	F	47.7	Very low	46	Very low	70 Å²	70	94.2 Å²	94.2	31%	0.307	50%	0.497	S	S	.	.	H	α-helix	trans	-79.6	-30.1	175.5	-69.7	-83.2	0	0	0	113.3	I78 T79 L157 A193 I194 K195 F199	I78-F197 HydrophobicContact CG2-CD2 4.24Å; I78-F197 HydrophobicContact CG2-CE2 4.21Å; I78-F197 WeakPolarHBondContact O-CD1 3.4Å; I78-F197 VanDerWaalsContact O-CE1 3.26Å; I78-F197 WeakPolarHBondContact O-CE1 3.38Å; T79-F197 WeakPolarHBondContact O-CB 3.17Å; L157-F197 HydrophobicContact CD1-CE2 4.04Å; L157-F197 HydrophobicContact CD1-CZ 3.86Å; L157-F197 HydrophobicContact CD2-CD2 4.34Å; L157-F197 HydrophobicContact CD2-CE2 3.21Å; L157-F197 HydrophobicContact CD2-CZ 3.52Å; L157-F197 HydrophobicContact CG-CE2 3.8Å; L157-F197 HydrophobicContact CG-CZ 4.09Å; A193-F197 VanDerWaalsContact O-CD2 3.32Å; A193-F197 WeakPolarHBondContact O-CD2 3.24Å; I194-F197 PolarHBondContact O-N 3.45Å; K195-F197 VanDerWaalsContact C-N 3.3Å; K195-F197 PolarHBondContact O-N 3.18Å; F197-F199 PolarHBondContact O-N 3.49Å
198	S	45.5	Very low	45.2	Very low	60 Å²	60	95.5 Å²	95.5	42%	0.42	50%	0.495	S	S	.	.	H	α-helix	trans	-70.1	-10	-179.8	78.4	0	0	0	0	114.4	I194 K195 S200 K201	I194-S198 WeakPolarHBondContact O-CB 3.41Å; I194-S198 PolarHBondContact O-N 3.27Å; K195-S198 VanDerWaalsContact CA-OG 3.3Å; K195-S198 WeakPolarHBondContact CA-OG 3.21Å; K195-S198 PolarHBondContact O-N 2.85Å; K195-S198 VanDerWaalsContact O-N 3.1Å; K195-S198 PolarHBondContact O-OG 2.81Å; S198-S200 PolarHBondContact O-N 3.21Å; S198-K201 PolarHBondContact O-N 3.34Å
199	F	38.9	Very low	44.3	Very low	192 Å²	192	95.9 Å²	95.9	84%	0.842	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-11.2	179.1	-112.2	-84.6	0	0	0	114.1	K195 F197	K195-F199 PolarHBondContact O-N 2.86Å; F197-F199 PolarHBondContact O-N 3.49Å
200	S	39.4	Very low	43.6	Very low	102 Å²	102	96.4 Å²	96.4	71%	0.713	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-9.9	171.8	68.1	0	0	0	0	115.6	S198	S198-S200 PolarHBondContact O-N 3.21Å
201	K	33.8	Very low	43	Very low	150 Å²	150	102.1 Å²	102.1	65%	0.652	53%	0.526	S	S	*	.	S	Bend	trans	-140.7	108	-179.1	-71	-173.8	-179.7	174.9	0	114	S198	S198-K201 PolarHBondContact O-N 3.34Å
202	T	32.3	Very low	42.6	Very low	135 Å²	135	107.4 Å²	107.4	83%	0.828	54%	0.544	S	S	*	.			trans	61.8	111.9	162.4	49	0	0	0	0	118.6
203	K	29.3	Very low	42.4	Very low	196 Å²	196	106.1 Å²	106.1	85%	0.852	53%	0.534	S	S	*	.	S	Bend	trans	-51.2	143.1	163	-75.2	177.1	174.4	177.1	0	111.2
204	H	29.7	Very low	42.1	Very low	185 Å²	185	106.4 Å²	106.4	86%	0.856	54%	0.536	S	S	*	.			trans	84.3	81.6	178.2	-55	-72.6	0	0	0	116.8
205	R	32.6	Very low	41.9	Very low	215 Å²	215	106 Å²	106	81%	0.811	53%	0.534	S	S	*	.			trans	-128.8	115.1	147.4	-79.6	-173.8	174.1	174.5	-0.6	109.8
206	S	32.9	Very low	41.8	Very low	98 Å²	98	105 Å²	105	69%	0.685	54%	0.539	S	S	*	.			trans	-60	142.8	176	56.1	0	0	0	0	111	N208	S206-N208 PolarHBondContact O-N 2.87Å
207	G	34.3	Very low	41.9	Very low	71 Å²	71	105 Å²	105	73%	0.732	54%	0.54	S	S	*	.			trans	-56.7	102.9	-176.9	0	0	0	0	0	113.1
208	N	37.9	Very low	42.3	Very low	62 Å²	62	101.9 Å²	101.9	33%	0.332	53%	0.527	S	S	.	.			trans	-117	122	164.5	-61	-32.6	0	0	0	106.8	S206 H210 L413	S206-N208 PolarHBondContact O-N 2.87Å; N208-H210 PolarHBondContact O-N 3.46Å; N208-L413 HydrophobicContact CB-CD1 3.43Å; N208-L413 VanDerWaalsContact CB-CD1 3.43Å
209	S	38.6	Very low	43.2	Very low	84 Å²	84	103.9 Å²	103.9	59%	0.587	54%	0.539	S	S	*	.			trans	-61.1	120.1	178.5	42.9	0	0	0	0	110.3	Q211	S209-Q211 PolarHBondContact O-N 3.47Å; S209-Q211 VanDerWaalsContact O-N 3.08Å
210	H	44.7	Very low	44.3	Very low	52 Å²	52	95.9 Å²	95.9	24%	0.241	51%	0.508	C	S	.	.			trans	-69.1	107.9	170.5	-67	-72.4	0	0	0	108.3	D191 N208 G412	D191-H210 WeakPolarHBondContact OD1-CB 3.41Å; D191-H210 IonicContact OD1-CD2 2.91Å; D191-H210 PolarHBondContact OD1-CD2 3.48Å; D191-H210 IonicContact OD1-CG 3.85Å; D191-H210 PolarHBondContact OD1-N 3.42Å; N208-H210 PolarHBondContact O-N 3.46Å; H210-G412 PolarHBondContact CE1-O 2.7Å
211	Q	46.3	Very low	45.9	Very low	129 Å²	129	91.9 Å²	91.9	60%	0.603	48%	0.478	S	S	*	.			trans	-68.9	146.2	172	-75.8	-176.5	-17.2	0	0	110.6	S209 I213	S209-Q211 PolarHBondContact O-N 3.47Å; S209-Q211 VanDerWaalsContact O-N 3.08Å; Q211-I213 PolarHBondContact O-N 3.16Å
212	R	50	Low	47.8	Very low	135 Å²	135	86.2 Å²	86.2	51%	0.509	46%	0.456	S	S	.	.			trans	-17.5	116	177.4	-162.2	173	-176.6	141.3	4.6	114.6	E184 S214	E184-R212 IonicContact OE1-CZ 3.62Å; E184-R212 IonicContact OE1-NH1 3.45Å; E184-R212 PolarHBondContact OE1-NH1 2.71Å; E184-R212 IonicContact OE1-NH2 3.87Å; E184-R212 PolarHBondContact OE1-NH2 2.92Å; E184-R212 IonicContact OE2-NH1 2.68Å; R212-S214 VanDerWaalsContact C-N 3.28Å; R212-S214 VanDerWaalsContact CG-OG 3.24Å; R212-S214 WeakPolarHBondContact CG-OG 3.38Å; R212-S214 PolarHBondContact NE-OG 2.76Å; R212-S214 PolarHBondContact O-N 2.87Å
213	I	53.1	Low	49.8	Very low	16 Å²	16	80.1 Å²	80.1	8%	0.082	42%	0.418	C	S	.	.	S	Bend	trans	-66.4	-31.8	179.7	-53.6	-179.4	0	0	0	111.2	I82 F86 Q163 S167 R171 I190 Q211	I82-I213 HydrophobicContact CD1-CD1 4.2Å; F86-I213 HydrophobicContact CE2-CG2 4.44Å; Q163-I213 HydrophobicContact CB-CD1 4.1Å; S167-I213 PolarHBondContact OG-O 3.48Å; R171-I213 PolarHBondContact NH2-O 3.29Å; I190-I213 HydrophobicContact CG2-CD1 4.24Å; Q211-I213 PolarHBondContact O-N 3.16Å
214	S	53.1	Low	51.8	Low	10 Å²	10	72.2 Å²	72.2	7%	0.07	39%	0.388	C	S	.	.	S	Bend	trans	-71.3	146.2	-178.8	51.1	0	0	0	0	113.2	R212 P216	R212-S214 VanDerWaalsContact C-N 3.28Å; R212-S214 VanDerWaalsContact CG-OG 3.24Å; R212-S214 WeakPolarHBondContact CG-OG 3.38Å; R212-S214 PolarHBondContact NE-OG 2.76Å; R212-S214 PolarHBondContact O-N 2.87Å; S214-P216 WeakPolarHBondContact O-CD 3.44Å
215	N	53.4	Low	53.8	Low	13 Å²	13	63.5 Å²	63.5	7%	0.07	35%	0.347	C	S	.	.			trans	-81.3	119.9	177.5	-177.5	0.8	0	0	0	110.4	Y217 S218 H422	N215-Y217 VanDerWaalsContact C-N 3.27Å; N215-Y217 PolarHBondContact O-N 3.29Å; N215-Y217 PolarHBondContact OD1-N 2.85Å; N215-Y217 VanDerWaalsContact OD1-N 3.1Å; N215-S218 PolarHBondContact ND2-OG 3.11Å; N215-H422 PolarHBondContact ND2-CE1 3.1Å; N215-H422 VanDerWaalsContact ND2-CE1 3.29Å
216	P	52.5	Low	55.4	Low	94 Å²	94	53.4 Å²	53.4	61%	0.61	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-20.1	-179.9	25.2	-32.8	0	0	0	114.5	S214	S214-P216 WeakPolarHBondContact O-CD 3.44Å
217	Y	53.6	Low	57.1	Low	135 Å²	135	49.5 Å²	49.5	53%	0.529	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-17.2	-175.7	-66.8	-79.3	0	0	0	114.8	N215 K418	N215-Y217 VanDerWaalsContact C-N 3.27Å; N215-Y217 PolarHBondContact O-N 3.29Å; N215-Y217 PolarHBondContact OD1-N 2.85Å; N215-Y217 VanDerWaalsContact OD1-N 3.1Å; Y217-K418 WeakPolarHBondContact CD2-O 3.45Å; Y217-K418 HydrophobicContact CE2-CB 3.7Å; Y217-K418 HydrophobicContact CE2-CD 4.45Å; Y217-K418 HydrophobicContact CE2-CG 3.88Å; Y217-K418 WeakPolarHBondContact CE2-O 3.44Å
218	S	57.1	Low	58.7	Low	5 Å²	5	46.3 Å²	46.3	4%	0.035	25%	0.249	C	C	.	.	S	Bend	trans	-120.8	103.6	172.9	47.7	0	0	0	0	108.5	S170 N215 A220 H422	S170-S218 WeakPolarHBondContact CB-O 3.4Å; S170-S218 WeakPolarHBondContact O-CB 3.46Å; S170-S218 PolarHBondContact O-OG 3.29Å; S170-S218 VanDerWaalsContact O-OG 3.11Å; N215-S218 PolarHBondContact ND2-OG 3.11Å; S218-A220 PolarHBondContact O-N 3.5Å; S218-H422 VanDerWaalsContact CB-CE1 3.41Å; S218-H422 WeakPolarHBondContact CB-CE1 3.35Å; S218-H422 WeakPolarHBondContact CB-ND1 3.37Å; S218-H422 PolarHBondContact OG-CE1 2.81Å
219	P	63.5	Low	60.2	Low	103 Å²	103	46 Å²	46	67%	0.669	25%	0.246	S	C	*	.			trans	-57.7	135.1	174.9	25.1	-32.1	0	0	0	108.5
220	A	63	Low	61.7	Low	24 Å²	24	45.4 Å²	45.4	20%	0.198	24%	0.235	C	C	.	.			trans	-61.8	138.5	170.8	0	0	0	0	0	108.3	S218 V222	S218-A220 PolarHBondContact O-N 3.5Å; A220-V222 HydrophobicContact CB-CG2 3.34Å; A220-V222 PolarHBondContact O-N 2.92Å
221	L	72.6	Confident	63.1	Low	18 Å²	18	43 Å²	43	9%	0.094	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	61.1	178.7	-63.2	-177	0	0	0	109.3	S169 Q173 P175 L176 Q429 H432	S169-L221 PolarHBondContact OG-N 3.45Å; Q173-L221 HydrophobicContact CB-CD1 4.38Å; Q173-L221 WeakPolarHBondContact O-CD1 3.44Å; P175-L221 CarbonylContact C-O 3.52Å; P175-L221 WeakPolarHBondContact CA-O 2.91Å; L176-L221 PolarHBondContact N-O 3.05Å; L221-Q429 HydrophobicContact CD1-CG 4.14Å; L221-H432 HydrophobicContact CB-CB 4.33Å; L221-H432 HydrophobicContact CD1-CB 4.18Å
222	V	74.2	Confident	64.6	Low	30 Å²	30	37.1 Å²	37.1	18%	0.182	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	134.3	-171	-160.8	0	0	0	0	111.3	L176 T178 L182 A220	L176-V222 HydrophobicContact CB-CG1 4.29Å; L176-V222 HydrophobicContact CB-CG2 4.33Å; L176-V222 HydrophobicContact CD2-CG1 4.08Å; L176-V222 HydrophobicContact CD2-CG2 4.08Å; L176-V222 HydrophobicContact CG-CG1 4.05Å; L176-V222 CarbonylContact O-C 3.52Å; L176-V222 VanDerWaalsContact O-CA 3.24Å; L176-V222 WeakPolarHBondContact O-CA 3.47Å; T178-V222 HydrophobicContact CG2-CG1 3.95Å; L182-V222 HydrophobicContact CD1-CB 3.77Å; L182-V222 HydrophobicContact CD1-CG1 3.34Å; L182-V222 HydrophobicContact CD1-CG2 4.16Å; L182-V222 HydrophobicContact CD2-CG1 4.41Å; L182-V222 HydrophobicContact CG-CG1 4.24Å; A220-V222 HydrophobicContact CB-CG2 3.34Å; A220-V222 PolarHBondContact O-N 2.92Å
223	H	74.1	Confident	65.8	Low	7 Å²	7	30.9 Å²	30.9	3%	0.032	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	103	162.2	-52.3	-79.5	0	0	0	107.3	L176 V177 T178 I225 H432 I435 N436 L439	L176-H223 PolarHBondContact O-N 3.22Å; V177-H223 WeakPolarHBondContact CA-O 3.36Å; V177-H223 HydrophobicContact CG2-CB 4.31Å; T178-H223 PolarHBondContact N-O 3.21Å; H223-I225 HydrophobicContact CB-CG1 4.29Å; H223-I225 PolarHBondContact O-N 3.01Å; H223-H432 AromaticContact CD2-ND1 3.74Å; H223-H432 AromaticContact CE1-CE1 3.2Å; H223-H432 PolarHBondContact CE1-CE1 3.38Å; H223-H432 AromaticContact CE1-CG 3.7Å; H223-H432 AromaticContact CE1-ND1 3.01Å; H223-H432 PolarHBondContact CE1-ND1 3.28Å; H223-H432 AromaticContact CE1-NE2 3.96Å; H223-H432 PolarHBondContact CE1-O 3.47Å; H223-H432 VanDerWaalsContact CE1-O 3.26Å; H223-H432 AromaticContact ND1-CE1 3.82Å; H223-H432 AromaticContact ND1-ND1 3.92Å; H223-H432 AromaticContact NE2-CE1 3.51Å; H223-H432 AromaticContact NE2-CG 3.56Å; H223-H432 AromaticContact NE2-ND1 2.83Å; H223-H432 PolarHBondContact NE2-ND1 2.95Å; H223-I435 HydrophobicContact CB-CG2 4.44Å; H223-N436 PolarHBondContact CE1-OD1 3.22Å; H223-N436 PolarHBondContact ND1-OD1 3.34Å; H223-L439 HydrophobicContact CB-CD1 4.1Å
224	S	71.6	Confident	67.1	Low	30 Å²	30	33 Å²	33	21%	0.21	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	114.6	163.3	-175.4	0	0	0	0	106.9	T178 T180 D181 L455	T178-S224 WeakPolarHBondContact OG1-CA 2.78Å; T180-S224 PolarHBondContact O-OG 3.1Å; D181-S224 WeakPolarHBondContact CA-OG 2.99Å; S224-L455 WeakPolarHBondContact O-CD1 3.44Å
225	I	70.3	Confident	68.5	Low	2 Å²	2	32.7 Å²	32.7	1%	0.01	18%	0.182	C	C	.	.			trans	-100.5	0.5	172.4	-57.1	-178.3	0	0	0	108.1	V177 T178 H223 M372 I376 L439 Y457	V177-I225 HydrophobicContact CG1-CD1 3.4Å; V177-I225 VanDerWaalsContact CG1-CD1 3.4Å; V177-I225 HydrophobicContact CG1-CG1 3.93Å; T178-I225 PolarHBondContact O-N 3.26Å; H223-I225 HydrophobicContact CB-CG1 4.29Å; H223-I225 PolarHBondContact O-N 3.01Å; I225-M372 WeakPolarHBondContact O-CE 3.42Å; I225-I376 HydrophobicContact CB-CD1 4.1Å; I225-I376 HydrophobicContact CB-CG1 4.1Å; I225-I376 HydrophobicContact CD1-CG1 3.94Å; I225-I376 HydrophobicContact CG2-CD1 4.14Å; I225-I376 HydrophobicContact CG2-CG1 3.73Å; I225-L439 HydrophobicContact CD1-CD1 4.18Å; I225-L439 HydrophobicContact CD1-CD2 3.73Å; I225-L439 HydrophobicContact CG1-CD1 4.24Å; I225-L439 HydrophobicContact CG1-CD2 4.06Å; I225-Y457 WeakPolarHBondContact CG2-OH 3.41Å; I225-Y457 WeakPolarHBondContact O-CE2 3.14Å; I225-Y457 PolarHBondContact O-OH 3.04Å
226	G	67.6	Low	69.9	Low	4 Å²	4	32.1 Å²	32.1	4%	0.041	18%	0.178	C	C	.	.	S	Bend	trans	-54.6	135.8	171.3	0	0	0	0	0	112.6	T178 I179 S228	T178-G226 PolarHBondContact O-N 3.35Å; I179-G226 VanDerWaalsContact C-CA 3.5Å; I179-G226 VanDerWaalsContact O-CA 3.26Å; I179-G226 WeakPolarHBondContact O-CA 3.17Å; G226-S228 PolarHBondContact O-N 3.03Å
227	P	67	Low	71.2	Confident	16 Å²	16	30.3 Å²	30.3	10%	0.104	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-61	126.9	164.3	26	-32.1	0	0	0	108.3	Q229 F354 L368 M372 Y457	P227-Q229 PolarHBondContact O-N 3.49Å; P227-F354 HydrophobicContact CB-CD1 3.62Å; P227-F354 HydrophobicContact CB-CD2 4.1Å; P227-F354 HydrophobicContact CB-CE1 3.45Å; P227-F354 VanDerWaalsContact CB-CE1 3.45Å; P227-F354 HydrophobicContact CB-CE2 3.93Å; P227-F354 HydrophobicContact CB-CG 3.93Å; P227-F354 HydrophobicContact CB-CZ 3.58Å; P227-F354 HydrophobicContact CG-CD2 4.18Å; P227-F354 HydrophobicContact CG-CE1 4.44Å; P227-F354 HydrophobicContact CG-CE2 4.06Å; P227-F354 HydrophobicContact CG-CG 4.39Å; P227-F354 HydrophobicContact CG-CZ 4.17Å; P227-L368 HydrophobicContact CG-CD2 4.24Å; P227-M372 VanDerWaalsContact CD-CE 3.42Å; P227-M372 WeakPolarHBondContact CD-SD 3.34Å; P227-M372 HydrophobicContact CG-SD 4.12Å; P227-Y457 HydrophobicContact CB-CD2 3.87Å; P227-Y457 HydrophobicContact CB-CE2 4.23Å
228	S	68.1	Low	72.5	Confident	4 Å²	4	26.6 Å²	26.6	3%	0.028	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-69.5	126.5	175.8	-172.2	0	0	0	0	108.9	D181 G226 I230 L231	D181-S228 WeakPolarHBondContact OD2-CB 3.35Å; D181-S228 PolarHBondContact OD2-OG 3.25Å; G226-S228 PolarHBondContact O-N 3.03Å; S228-I230 PolarHBondContact O-N 2.96Å; S228-I230 VanDerWaalsContact O-N 3.12Å; S228-L231 WeakPolarHBondContact O-CB 3.35Å; S228-L231 PolarHBondContact O-N 2.84Å
229	Q	69.3	Low	73.7	Confident	54 Å²	54	26.6 Å²	26.6	25%	0.252	15%	0.15	S	C	.	.	H	α-helix	trans	-61.6	-21.2	178.1	-69.3	-161.7	-17.3	0	0	112.3	Y109 P227 L231 V232 A233 K262	Y109-Q229 PolarHBondContact OH-NE2 2.95Å; P227-Q229 PolarHBondContact O-N 3.49Å; Q229-L231 PolarHBondContact O-N 3.4Å; Q229-V232 PolarHBondContact O-N 2.75Å; Q229-A233 PolarHBondContact O-N 2.76Å; Q229-K262 HydrophobicContact CB-CD 3.99Å; Q229-K262 HydrophobicContact CB-CG 4.21Å; Q229-K262 WeakPolarHBondContact O-CE 3.41Å
230	I	71.1	Confident	74.4	Confident	72 Å²	72	21.7 Å²	21.7	37%	0.369	12%	0.118	S	C	.	.	H	α-helix	trans	-58.4	-33.9	174.1	-62	169	0	0	0	111.5	S228 V232 A233 E234 I454	S228-I230 PolarHBondContact O-N 2.96Å; S228-I230 VanDerWaalsContact O-N 3.12Å; I230-V232 VanDerWaalsContact C-N 3.3Å; I230-V232 PolarHBondContact O-N 3.39Å; I230-A233 WeakPolarHBondContact O-CB 3.01Å; I230-A233 PolarHBondContact O-N 3.49Å; I230-A233 VanDerWaalsContact O-N 3.15Å; I230-E234 HydrophobicContact CG2-CG 4.26Å; I230-E234 PolarHBondContact O-N 2.81Å; I230-I454 HydrophobicContact CD1-CD1 4.4Å
231	L	73.9	Confident	75.1	Confident	2 Å²	2	24.2 Å²	24.2	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-63.1	-37.6	179.5	-67.3	173.8	0	0	0	112.2	S228 Q229 A233 E234 L235 F354 I454 L455 L459 W475 L477	S228-L231 WeakPolarHBondContact O-CB 3.35Å; S228-L231 PolarHBondContact O-N 2.84Å; Q229-L231 PolarHBondContact O-N 3.4Å; L231-A233 VanDerWaalsContact C-N 3.32Å; L231-E234 PolarHBondContact O-N 3.11Å; L231-L235 WeakPolarHBondContact O-CB 3.27Å; L231-L235 PolarHBondContact O-N 2.84Å; L231-F354 HydrophobicContact CB-CE1 4.41Å; L231-F354 HydrophobicContact CD1-CE1 4.48Å; L231-I454 HydrophobicContact CD2-CG2 4.44Å; L231-L455 WeakPolarHBondContact CD1-O 3.16Å; L231-L459 HydrophobicContact CB-CD1 4.41Å; L231-W475 HydrophobicContact CB-CZ3 4.35Å; L231-W475 HydrophobicContact CD2-CZ3 4.35Å; L231-W475 WeakPolarHBondContact O-CH2 3.43Å; L231-L477 HydrophobicContact CD2-CB 4.36Å
232	V	77.2	Confident	75.3	Confident	6 Å²	6	28 Å²	28	4%	0.036	15%	0.15	C	C	.	.	H	α-helix	trans	-67.5	-38	177	173.3	0	0	0	0	110.4	Q229 I230 L236 F330 F354 L459	Q229-V232 PolarHBondContact O-N 2.75Å; I230-V232 VanDerWaalsContact C-N 3.3Å; I230-V232 PolarHBondContact O-N 3.39Å; V232-L236 VanDerWaalsContact O-CB 3.28Å; V232-L236 WeakPolarHBondContact O-CB 3.28Å; V232-L236 PolarHBondContact O-N 3Å; V232-F330 HydrophobicContact CG1-CD1 3.45Å; V232-F330 VanDerWaalsContact CG1-CD1 3.45Å; V232-F330 HydrophobicContact CG1-CD2 4.43Å; V232-F330 HydrophobicContact CG1-CE1 3.32Å; V232-F330 HydrophobicContact CG1-CE2 4.28Å; V232-F330 HydrophobicContact CG1-CG 4.04Å; V232-F330 HydrophobicContact CG1-CZ 3.76Å; V232-F354 HydrophobicContact CG2-CE1 4Å; V232-F354 HydrophobicContact CG2-CE2 3.96Å; V232-F354 HydrophobicContact CG2-CZ 3.35Å; V232-L459 HydrophobicContact CG2-CD1 4.44Å; V232-L459 HydrophobicContact CG2-CD2 4.3Å
233	A	76.6	Confident	75.3	Confident	4 Å²	4	27.6 Å²	27.6	3%	0.033	15%	0.147	C	C	.	.	H	α-helix	trans	-66.3	-43.9	175.1	0	0	0	0	0	111.6	Q229 I230 L231 L236 K237 K262 C266	Q229-A233 PolarHBondContact O-N 2.76Å; I230-A233 WeakPolarHBondContact O-CB 3.01Å; I230-A233 PolarHBondContact O-N 3.49Å; I230-A233 VanDerWaalsContact O-N 3.15Å; L231-A233 VanDerWaalsContact C-N 3.32Å; A233-L236 WeakPolarHBondContact O-CB 3.46Å; A233-L236 PolarHBondContact O-N 3.36Å; A233-K237 PolarHBondContact O-N 3.29Å; A233-K262 HydrophobicContact CB-CG 4.1Å; A233-K262 WeakPolarHBondContact CB-O 3.4Å; A233-C266 HydrophobicContact CB-CB 3.89Å; A233-C266 PolarHBondContact O-SG 2.9Å
234	E	79.4	Confident	75	Confident	60 Å²	60	30.1 Å²	30.1	28%	0.28	16%	0.159	S	C	.	.	H	α-helix	trans	-68.1	-35.5	176.5	-72.8	-66.9	171.2	0	0	113.1	I230 L231 L236 K237 N238 W475 L477	I230-E234 HydrophobicContact CG2-CG 4.26Å; I230-E234 PolarHBondContact O-N 2.81Å; L231-E234 PolarHBondContact O-N 3.11Å; E234-L236 VanDerWaalsContact C-N 3.35Å; E234-K237 WeakPolarHBondContact O-CB 3.39Å; E234-K237 PolarHBondContact O-N 3.04Å; E234-K237 WeakPolarHBondContact OE2-CD 3.22Å; E234-N238 PolarHBondContact O-N 3.22Å; E234-W475 HydrophobicContact CB-CH2 3.86Å; E234-W475 HydrophobicContact CB-CZ2 4.11Å; E234-L477 HydrophobicContact CB-CD1 4.25Å; E234-L477 HydrophobicContact CG-CD1 4.26Å
235	L	82.6	Confident	74.6	Confident	4 Å²	4	38.3 Å²	38.3	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-59.7	-49.4	169.8	175.1	81.6	0	0	0	110.4	L231 K237 N238 L239 V352 L459 W475 F481	L231-L235 WeakPolarHBondContact O-CB 3.27Å; L231-L235 PolarHBondContact O-N 2.84Å; L235-K237 VanDerWaalsContact C-N 3.29Å; L235-K237 PolarHBondContact O-N 2.89Å; L235-N238 PolarHBondContact O-N 3.09Å; L235-N238 VanDerWaalsContact O-N 3.12Å; L235-L239 HydrophobicContact CD2-CD1 4.48Å; L235-L239 HydrophobicContact CG-CD1 4.3Å; L235-L239 PolarHBondContact O-N 2.96Å; L235-V352 HydrophobicContact CD2-CB 4.29Å; L235-V352 HydrophobicContact CD2-CG1 3.31Å; L235-V352 HydrophobicContact CD2-CG2 3.96Å; L235-L459 HydrophobicContact CB-CD1 3.55Å; L235-L459 HydrophobicContact CD1-CB 4.44Å; L235-L459 HydrophobicContact CD1-CD1 4.29Å; L235-L459 HydrophobicContact CD2-CB 4.25Å; L235-L459 HydrophobicContact CD2-CD1 3.68Å; L235-L459 HydrophobicContact CD2-CG 4.47Å; L235-L459 HydrophobicContact CG-CD1 4.02Å; L235-W475 HydrophobicContact CB-CD2 4.14Å; L235-W475 HydrophobicContact CB-CE3 4.2Å; L235-W475 HydrophobicContact CB-CH2 4.16Å; L235-W475 HydrophobicContact CB-CZ2 4.1Å; L235-W475 HydrophobicContact CB-CZ3 4.21Å; L235-W475 HydrophobicContact CD1-CB 3.55Å; L235-W475 HydrophobicContact CD1-CD2 3.42Å; L235-W475 VanDerWaalsContact CD1-CD2 3.42Å; L235-W475 HydrophobicContact CD1-CE3 4Å; L235-W475 HydrophobicContact CD1-CG 3.21Å; L235-W475 HydrophobicContact CG-CD2 4.4Å; L235-F481 HydrophobicContact CD1-CE1 3.55Å; L235-F481 HydrophobicContact CD1-CE2 4.38Å; L235-F481 HydrophobicContact CD1-CZ 3.34Å; L235-F481 HydrophobicContact CG-CZ 4.25Å
236	L	81.8	Confident	74.4	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-56.4	-46.5	178.6	172.6	66.2	0	0	0	110.5	V232 A233 E234 N238 L239 I240 I252 Y263 F300	V232-L236 VanDerWaalsContact O-CB 3.28Å; V232-L236 WeakPolarHBondContact O-CB 3.28Å; V232-L236 PolarHBondContact O-N 3Å; A233-L236 WeakPolarHBondContact O-CB 3.46Å; A233-L236 PolarHBondContact O-N 3.36Å; E234-L236 VanDerWaalsContact C-N 3.35Å; L236-N238 VanDerWaalsContact C-N 3.32Å; L236-N238 PolarHBondContact O-N 3.14Å; L236-L239 PolarHBondContact O-N 3.41Å; L236-I240 HydrophobicContact CD1-CD1 3.73Å; L236-I240 HydrophobicContact CD1-CG1 4.13Å; L236-I240 HydrophobicContact CD2-CD1 4.39Å; L236-I240 HydrophobicContact CG-CD1 3.65Å; L236-I240 HydrophobicContact CG-CG1 4.46Å; L236-I240 WeakPolarHBondContact O-CD1 2.91Å; L236-I240 VanDerWaalsContact O-CG1 3.26Å; L236-I240 WeakPolarHBondContact O-CG1 3.29Å; L236-I240 PolarHBondContact O-N 2.92Å; L236-I252 HydrophobicContact CD2-CD1 3.62Å; L236-I252 HydrophobicContact CD2-CG1 4.44Å; L236-Y263 HydrophobicContact CD2-CD1 3.54Å; L236-Y263 HydrophobicContact CD2-CE1 3.7Å; L236-F300 HydrophobicContact CD1-CB 4.46Å; L236-F300 HydrophobicContact CD1-CD1 3.21Å; L236-F300 HydrophobicContact CD1-CD2 3.68Å; L236-F300 HydrophobicContact CD1-CE1 3.1Å; L236-F300 HydrophobicContact CD1-CE2 3.56Å; L236-F300 HydrophobicContact CD1-CG 3.51Å; L236-F300 HydrophobicContact CD1-CZ 3.28Å
237	K	80.4	Confident	74.5	Confident	56 Å²	56	41.6 Å²	41.6	24%	0.243	21%	0.21	C	C	.	.	H	α-helix	trans	-51.9	-51.4	173.4	-161.6	178.2	176.7	173.4	0	111.6	A233 E234 L235 L239 I240 V241 C266 S269	A233-K237 PolarHBondContact O-N 3.29Å; E234-K237 WeakPolarHBondContact O-CB 3.39Å; E234-K237 PolarHBondContact O-N 3.04Å; E234-K237 WeakPolarHBondContact OE2-CD 3.22Å; L235-K237 VanDerWaalsContact C-N 3.29Å; L235-K237 PolarHBondContact O-N 2.89Å; K237-L239 VanDerWaalsContact C-N 3.33Å; K237-L239 PolarHBondContact O-N 3.19Å; K237-I240 PolarHBondContact O-N 2.91Å; K237-V241 VanDerWaalsContact O-CG2 3.29Å; K237-V241 WeakPolarHBondContact O-CG2 3.44Å; K237-V241 PolarHBondContact O-N 3.23Å; K237-C266 WeakPolarHBondContact CB-SG 3.37Å; K237-S269 WeakPolarHBondContact CE-OG 3.33Å
238	N	82	Confident	74.4	Confident	57 Å²	57	47.1 Å²	47.1	31%	0.305	23%	0.232	S	C	.	.	H	α-helix	trans	-66.1	-35.8	-178	-72.7	-11.6	0	0	0	111.7	E234 L235 L236 L242 W475 F481	E234-N238 PolarHBondContact O-N 3.22Å; L235-N238 PolarHBondContact O-N 3.09Å; L235-N238 VanDerWaalsContact O-N 3.12Å; L236-N238 VanDerWaalsContact C-N 3.32Å; L236-N238 PolarHBondContact O-N 3.14Å; N238-L242 WeakPolarHBondContact O-CB 3.47Å; N238-L242 WeakPolarHBondContact O-CD1 3.39Å; N238-L242 WeakPolarHBondContact O-CG 3.34Å; N238-L242 PolarHBondContact O-N 2.98Å; N238-L242 VanDerWaalsContact O-N 3.09Å; N238-W475 PolarHBondContact ND2-NE1 3.34Å; N238-F481 HydrophobicContact CB-CD2 4.49Å; N238-F481 HydrophobicContact CB-CE2 3.76Å
239	L	81.8	Confident	74.8	Confident	5 Å²	5	47 Å²	47	3%	0.026	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-42.6	172.8	-73.4	174.2	0	0	0	112.2	L235 L236 K237 L242 N243 W247 F300 F328 F481	L235-L239 HydrophobicContact CD2-CD1 4.48Å; L235-L239 HydrophobicContact CG-CD1 4.3Å; L235-L239 PolarHBondContact O-N 2.96Å; L236-L239 PolarHBondContact O-N 3.41Å; K237-L239 VanDerWaalsContact C-N 3.33Å; K237-L239 PolarHBondContact O-N 3.19Å; L239-L242 PolarHBondContact O-N 3.03Å; L239-N243 PolarHBondContact O-N 2.67Å; L239-N243 PolarHBondContact O-ND2 2.5Å; L239-W247 HydrophobicContact CB-CH2 4.49Å; L239-F300 HydrophobicContact CD1-CE1 4.2Å; L239-F328 HydrophobicContact CD1-CD1 3.95Å; L239-F328 HydrophobicContact CD1-CE1 3.93Å; L239-F328 HydrophobicContact CD2-CE1 4.45Å; L239-F481 HydrophobicContact CD2-CE1 3.88Å; L239-F481 HydrophobicContact CD2-CE2 3.95Å; L239-F481 HydrophobicContact CD2-CZ 3.32Å; L239-F481 HydrophobicContact CG-CE1 4.47Å; L239-F481 HydrophobicContact CG-CE2 4.24Å; L239-F481 HydrophobicContact CG-CZ 3.6Å
240	I	78.4	Confident	75.6	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-68	-47	-179.4	-64.3	157.1	0	0	0	110.2	L236 K237 L242 N243 E244 W247 F250 L267 L270 T272 F300	L236-I240 HydrophobicContact CD1-CD1 3.73Å; L236-I240 HydrophobicContact CD1-CG1 4.13Å; L236-I240 HydrophobicContact CD2-CD1 4.39Å; L236-I240 HydrophobicContact CG-CD1 3.65Å; L236-I240 HydrophobicContact CG-CG1 4.46Å; L236-I240 WeakPolarHBondContact O-CD1 2.91Å; L236-I240 VanDerWaalsContact O-CG1 3.26Å; L236-I240 WeakPolarHBondContact O-CG1 3.29Å; L236-I240 PolarHBondContact O-N 2.92Å; K237-I240 PolarHBondContact O-N 2.91Å; I240-L242 PolarHBondContact O-N 2.69Å; I240-N243 CarbonylContact O-C 3.48Å; I240-N243 VanDerWaalsContact O-C 3.3Å; I240-N243 PolarHBondContact O-N 2.76Å; I240-E244 WeakPolarHBondContact O-CA 3.28Å; I240-E244 PolarHBondContact O-N 2.56Å; I240-W247 HydrophobicContact CB-CZ3 4.41Å; I240-W247 HydrophobicContact CG1-CE3 4.44Å; I240-W247 HydrophobicContact CG1-CZ3 3.94Å; I240-F250 HydrophobicContact CD1-CD2 4.36Å; I240-F250 HydrophobicContact CD1-CE1 3.84Å; I240-F250 HydrophobicContact CD1-CE2 3.6Å; I240-F250 HydrophobicContact CD1-CZ 3.3Å; I240-F250 HydrophobicContact CG1-CD1 4.36Å; I240-F250 HydrophobicContact CG1-CE1 3.99Å; I240-F250 HydrophobicContact CG1-CE2 4.31Å; I240-F250 HydrophobicContact CG1-CZ 3.96Å; I240-F250 HydrophobicContact CG2-CD1 4.29Å; I240-F250 HydrophobicContact CG2-CE1 3.68Å; I240-F250 HydrophobicContact CG2-CZ 4.24Å; I240-L267 HydrophobicContact CD1-CD2 4.25Å; I240-L270 HydrophobicContact CB-CD1 4.42Å; I240-L270 HydrophobicContact CD1-CD1 3.83Å; I240-L270 HydrophobicContact CG2-CD1 4.06Å; I240-L270 HydrophobicContact CG2-CD2 4.1Å; I240-T272 WeakPolarHBondContact CG2-OG1 3.42Å; I240-F300 HydrophobicContact CG1-CE2 4.35Å; I240-F300 HydrophobicContact CG1-CZ 4.35Å
241	V	77.2	Confident	76.3	Confident	77 Å²	77	41 Å²	41	47%	0.467	20%	0.202	S	C	.	.	H	α-helix	trans	-59.4	-38.1	177.8	172.4	0	0	0	0	111.1	K237 N243 L270	K237-V241 VanDerWaalsContact O-CG2 3.29Å; K237-V241 WeakPolarHBondContact O-CG2 3.44Å; K237-V241 PolarHBondContact O-N 3.23Å; V241-N243 VanDerWaalsContact C-N 3.26Å; V241-N243 PolarHBondContact O-N 3.12Å; V241-L270 HydrophobicContact CG2-CD2 3.93Å
242	L	76.4	Confident	77	Confident	96 Å²	96	40.9 Å²	40.9	50%	0.503	20%	0.202	S	C	.	.	H	α-helix	trans	-67.1	-24.5	175.4	-76.9	169.7	0	0	0	113.8	N238 L239 I240 F481	N238-L242 WeakPolarHBondContact O-CB 3.47Å; N238-L242 WeakPolarHBondContact O-CD1 3.39Å; N238-L242 WeakPolarHBondContact O-CG 3.34Å; N238-L242 PolarHBondContact O-N 2.98Å; N238-L242 VanDerWaalsContact O-N 3.09Å; L239-L242 PolarHBondContact O-N 3.03Å; I240-L242 PolarHBondContact O-N 2.69Å; L242-F481 HydrophobicContact CD1-CD2 3.49Å; L242-F481 VanDerWaalsContact CD1-CD2 3.49Å; L242-F481 HydrophobicContact CD1-CE2 3.7Å; L242-F481 HydrophobicContact CD1-CG 4.42Å
243	N	74.7	Confident	77.6	Confident	22 Å²	22	40.6 Å²	40.6	12%	0.118	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	14.9	-176.7	-64.9	-76	0	0	0	112.7	L239 I240 V241 E245 I246 W247	L239-N243 PolarHBondContact O-N 2.67Å; L239-N243 PolarHBondContact O-ND2 2.5Å; I240-N243 CarbonylContact O-C 3.48Å; I240-N243 VanDerWaalsContact O-C 3.3Å; I240-N243 PolarHBondContact O-N 2.76Å; V241-N243 VanDerWaalsContact C-N 3.26Å; V241-N243 PolarHBondContact O-N 3.12Å; N243-E245 PolarHBondContact O-N 2.74Å; N243-I246 WeakPolarHBondContact O-CA 3.49Å; N243-I246 PolarHBondContact O-N 3.16Å; N243-W247 HydrophobicContact CB-CD2 3.53Å; N243-W247 VanDerWaalsContact CB-CE2 3.46Å; N243-W247 HydrophobicContact CB-CE3 3.79Å; N243-W247 HydrophobicContact CB-CG 4.08Å; N243-W247 HydrophobicContact CB-CH2 3.94Å; N243-W247 HydrophobicContact CB-CZ2 3.68Å; N243-W247 HydrophobicContact CB-CZ3 3.99Å; N243-W247 PolarHBondContact O-N 3.07Å
244	E	68.2	Low	78	Confident	61 Å²	61	41.5 Å²	41.5	29%	0.285	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-33.1	-171.7	-161	171.6	-164	0	0	111.9	I240 I246 Q271 T272	I240-E244 WeakPolarHBondContact O-CA 3.28Å; I240-E244 PolarHBondContact O-N 2.56Å; E244-I246 VanDerWaalsContact C-N 3.27Å; E244-I246 PolarHBondContact O-N 3.4Å; E244-Q271 WeakPolarHBondContact OE1-CB 3.33Å; E244-Q271 PolarHBondContact OE1-N 3.11Å; E244-T272 HydrophobicContact CB-CG2 4.46Å; E244-T272 HydrophobicContact CG-CG2 3.49Å; E244-T272 VanDerWaalsContact CG-CG2 3.49Å
245	E	63.7	Low	77.9	Confident	202 Å²	202	40.7 Å²	40.7	94%	0.944	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-17.7	175.3	-62.2	-172.1	167	0	0	113.4	N243	N243-E245 PolarHBondContact O-N 2.74Å
246	I	65.3	Low	77.3	Confident	69 Å²	69	43.6 Å²	43.6	35%	0.354	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-50.1	-172.8	-58.2	168	0	0	0	109.8	N243 E244 K248 F491	N243-I246 WeakPolarHBondContact O-CA 3.49Å; N243-I246 PolarHBondContact O-N 3.16Å; E244-I246 VanDerWaalsContact C-N 3.27Å; E244-I246 PolarHBondContact O-N 3.4Å; I246-K248 PolarHBondContact O-N 3.41Å; I246-F491 HydrophobicContact CD1-CD1 3.58Å; I246-F491 HydrophobicContact CD1-CE1 3.21Å; I246-F491 HydrophobicContact CD1-CZ 4.23Å
247	W	70.2	Confident	76.5	Confident	5 Å²	5	46.8 Å²	46.8	2%	0.019	24%	0.235	C	C	.	.			trans	-83.7	110.4	-176.3	-59.5	-19.5	0	0	0	110.9	L239 I240 N243 G249 T272 A298 F300 F328	L239-W247 HydrophobicContact CB-CH2 4.49Å; I240-W247 HydrophobicContact CB-CZ3 4.41Å; I240-W247 HydrophobicContact CG1-CE3 4.44Å; I240-W247 HydrophobicContact CG1-CZ3 3.94Å; N243-W247 HydrophobicContact CB-CD2 3.53Å; N243-W247 VanDerWaalsContact CB-CE2 3.46Å; N243-W247 HydrophobicContact CB-CE3 3.79Å; N243-W247 HydrophobicContact CB-CG 4.08Å; N243-W247 HydrophobicContact CB-CH2 3.94Å; N243-W247 HydrophobicContact CB-CZ2 3.68Å; N243-W247 HydrophobicContact CB-CZ3 3.99Å; N243-W247 PolarHBondContact O-N 3.07Å; W247-G249 PolarHBondContact O-N 2.83Å; W247-T272 WeakPolarHBondContact O-CG2 3.43Å; W247-A298 HydrophobicContact CD2-CB 3.61Å; W247-A298 HydrophobicContact CE3-CB 3.96Å; W247-A298 HydrophobicContact CG-CB 4.05Å; W247-A298 HydrophobicContact CH2-CB 4.27Å; W247-A298 HydrophobicContact CZ2-CB 3.94Å; W247-A298 HydrophobicContact CZ3-CB 4.27Å; W247-F300 HydrophobicContact CH2-CE2 4.32Å; W247-F300 AromaticContact CH2-CZ 3.7Å; W247-F300 HydrophobicContact CH2-CZ 3.7Å; W247-F300 AromaticContact CZ3-CE2 3.9Å; W247-F300 HydrophobicContact CZ3-CE2 3.9Å; W247-F300 AromaticContact CZ3-CZ 3.6Å; W247-F300 HydrophobicContact CZ3-CZ 3.6Å; W247-F328 AromaticContact CH2-CE2 3.67Å; W247-F328 HydrophobicContact CH2-CE2 3.67Å; W247-F328 AromaticContact CH2-CZ 4Å; W247-F328 HydrophobicContact CH2-CZ 4Å; W247-F328 AromaticContact CZ2-CE2 3.66Å; W247-F328 HydrophobicContact CZ2-CE2 3.66Å; W247-F328 AromaticContact CZ2-CZ 3.98Å; W247-F328 HydrophobicContact CZ2-CZ 3.98Å
248	K	64.3	Low	75.6	Confident	132 Å²	132	46.4 Å²	46.4	57%	0.574	25%	0.246	S	C	*	.	S	Bend	trans	-64.4	-23.1	171.7	-65.7	-171.6	-179.9	-174.7	0	113	I246 T273	I246-K248 PolarHBondContact O-N 3.41Å; K248-T273 PolarHBondContact O-OG1 3.49Å; K248-T273 VanDerWaalsContact O-OG1 3.09Å
249	G	75.9	Confident	74.9	Confident	2 Å²	2	43.8 Å²	43.8	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.6	161.3	172.3	0	0	0	0	0	111	W247 T273	W247-G249 PolarHBondContact O-N 2.83Å; G249-T273 CarbonylContact C-O 3.48Å; G249-T273 WeakPolarHBondContact CA-O 3.43Å
250	F	85.6	Confident	74.3	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	156	-178.7	62.9	-88.4	0	0	0	111.6	I240 I252 L267 L270 T273 A274 L275 A298 F300	I240-F250 HydrophobicContact CD1-CD2 4.36Å; I240-F250 HydrophobicContact CD1-CE1 3.84Å; I240-F250 HydrophobicContact CD1-CE2 3.6Å; I240-F250 HydrophobicContact CD1-CZ 3.3Å; I240-F250 HydrophobicContact CG1-CD1 4.36Å; I240-F250 HydrophobicContact CG1-CE1 3.99Å; I240-F250 HydrophobicContact CG1-CE2 4.31Å; I240-F250 HydrophobicContact CG1-CZ 3.96Å; I240-F250 HydrophobicContact CG2-CD1 4.29Å; I240-F250 HydrophobicContact CG2-CE1 3.68Å; I240-F250 HydrophobicContact CG2-CZ 4.24Å; F250-I252 HydrophobicContact CD2-CG1 4.11Å; F250-I252 HydrophobicContact CE2-CD1 4.06Å; F250-I252 HydrophobicContact CE2-CG1 3.97Å; F250-L267 HydrophobicContact CE2-CD2 3.97Å; F250-L267 HydrophobicContact CZ-CD2 3.68Å; F250-L270 HydrophobicContact CZ-CD1 4.34Å; F250-T273 PolarHBondContact N-O 2.72Å; F250-A274 HydrophobicContact CD2-CB 4.33Å; F250-A274 HydrophobicContact CE1-CB 4.03Å; F250-A274 HydrophobicContact CE2-CB 3.58Å; F250-A274 HydrophobicContact CZ-CB 3.39Å; F250-A274 WeakPolarHBondContact O-CA 3.44Å; F250-L275 PolarHBondContact O-N 3.15Å; F250-A298 VanDerWaalsContact CA-O 3.31Å; F250-A298 WeakPolarHBondContact CA-O 3.36Å; F250-A298 HydrophobicContact CB-CB 3.92Å; F250-A298 WeakPolarHBondContact CB-O 3.39Å; F250-F300 HydrophobicContact CB-CD2 4.39Å; F250-F300 HydrophobicContact CB-CE2 4.09Å; F250-F300 AromaticContact CD2-CD2 3.81Å; F250-F300 HydrophobicContact CD2-CD2 3.81Å; F250-F300 AromaticContact CD2-CE2 3.82Å; F250-F300 HydrophobicContact CD2-CE2 3.82Å; F250-F300 HydrophobicContact CG-CD2 4.41Å; F250-F300 HydrophobicContact CG-CE2 4.08Å
251	A	87.4	Confident	73.8	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	138.6	177.7	0	0	0	0	0	110.8	L275 I293 L296 A298 F299 F300	A251-L275 CarbonylContact C-O 3.53Å; A251-L275 VanDerWaalsContact CA-O 3.31Å; A251-L275 WeakPolarHBondContact CA-O 3.3Å; A251-I293 HydrophobicContact CB-CB 3.85Å; A251-I293 HydrophobicContact CB-CD1 4.4Å; A251-I293 HydrophobicContact CB-CG2 3.72Å; A251-L296 HydrophobicContact CB-CD1 3.77Å; A251-A298 PolarHBondContact N-O 3.19Å; A251-F299 HydrophobicContact CB-CD1 3.93Å; A251-F299 HydrophobicContact CB-CE1 4.38Å; A251-F300 PolarHBondContact O-N 3.13Å
252	I	88.5	Confident	73.6	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	117.8	166.2	-53.3	178.8	0	0	0	107.7	L236 F250 Y263 L267 L275 I276 R277 F300	L236-I252 HydrophobicContact CD2-CD1 3.62Å; L236-I252 HydrophobicContact CD2-CG1 4.44Å; F250-I252 HydrophobicContact CD2-CG1 4.11Å; F250-I252 HydrophobicContact CE2-CD1 4.06Å; F250-I252 HydrophobicContact CE2-CG1 3.97Å; I252-Y263 HydrophobicContact CD1-CD1 4Å; I252-Y263 HydrophobicContact CD1-CG 4.05Å; I252-Y263 HydrophobicContact CG2-CD1 4.36Å; I252-Y263 HydrophobicContact CG2-CD2 3.79Å; I252-Y263 HydrophobicContact CG2-CE1 4.38Å; I252-Y263 HydrophobicContact CG2-CE2 3.83Å; I252-Y263 HydrophobicContact CG2-CG 4.08Å; I252-L267 HydrophobicContact CD1-CD1 3.79Å; I252-L267 HydrophobicContact CD1-CD2 4.32Å; I252-L275 PolarHBondContact N-O 2.79Å; I252-I276 HydrophobicContact CD1-CG1 4.43Å; I252-I276 WeakPolarHBondContact O-CA 3.5Å; I252-R277 PolarHBondContact O-N 3.11Å; I252-F300 WeakPolarHBondContact CA-O 3.26Å; I252-F300 HydrophobicContact CG1-CB 4.18Å; I252-F300 HydrophobicContact CG1-CD2 4.42Å; I252-F300 HydrophobicContact CG2-CB 4.47Å
253	V	88.9	Confident	73.6	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	116.5	178.3	-169.6	0	0	0	0	108.3	R277 W279 I293 F300 L301 D302 L303 F311	V253-R277 WeakPolarHBondContact CA-O 3.36Å; V253-W279 HydrophobicContact CG1-CB 4.06Å; V253-W279 HydrophobicContact CG1-CD2 4.24Å; V253-W279 HydrophobicContact CG1-CE3 3.6Å; V253-W279 HydrophobicContact CG1-CG 4.48Å; V253-W279 HydrophobicContact CG1-CZ3 4.39Å; V253-I293 HydrophobicContact CG2-CD1 3.87Å; V253-F300 PolarHBondContact N-O 3.41Å; V253-L301 HydrophobicContact CB-CD2 3.98Å; V253-L301 HydrophobicContact CG2-CD2 4.15Å; V253-D302 PolarHBondContact O-N 3.16Å; V253-L303 HydrophobicContact CG1-CD1 4.18Å; V253-L303 HydrophobicContact CG1-CD2 4.19Å; V253-F311 HydrophobicContact CG2-CE2 4.17Å
254	Y	85.2	Confident	73.6	Confident	23 Å²	23	49.8 Å²	49.8	9%	0.09	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	150.8	-174.9	69	-85.1	0	0	0	111.6	H256 D259 F260 I276 R277 R278 W279 D302	Y254-H256 WeakPolarHBondContact CD2-O 3.42Å; Y254-H256 VanDerWaalsContact CE2-O 3.23Å; Y254-H256 WeakPolarHBondContact CE2-O 3.38Å; Y254-D259 HydrophobicContact CD2-CB 3.98Å; Y254-D259 HydrophobicContact CG-CB 4.29Å; Y254-F260 HydrophobicContact CE1-CD2 4.26Å; Y254-F260 HydrophobicContact CE2-CB 4.09Å; Y254-I276 HydrophobicContact CD1-CG2 3.96Å; Y254-I276 HydrophobicContact CE1-CG2 3.5Å; Y254-I276 VanDerWaalsContact CE1-CG2 3.5Å; Y254-R277 VanDerWaalsContact CD1-O 3.31Å; Y254-R277 WeakPolarHBondContact CD1-O 3.14Å; Y254-R277 PolarHBondContact N-O 2.97Å; Y254-R277 VanDerWaalsContact N-O 3.1Å; Y254-R278 HydrophobicContact CD2-CG 4.26Å; Y254-R278 HydrophobicContact CE1-CB 4.14Å; Y254-R278 HydrophobicContact CE2-CB 3.83Å; Y254-R278 HydrophobicContact CE2-CG 3.76Å; Y254-R278 CarbonylContact O-C 3.57Å; Y254-R278 VanDerWaalsContact O-CA 3.3Å; Y254-R278 WeakPolarHBondContact O-CA 3.36Å; Y254-W279 PolarHBondContact O-N 2.98Å; Y254-D302 WeakPolarHBondContact CA-O 3.36Å
255	E	78	Confident	73.6	Confident	42 Å²	42	53.1 Å²	53.1	20%	0.196	26%	0.263	C	S	.	.	S	Bend	trans	-92.4	-46.2	-176.1	-167.3	156.9	-149.1	0	0	112.6	R278 D302 L303 S304 S307	E255-R278 PolarHBondContact O-NE 2.98Å; E255-R278 VanDerWaalsContact O-NE 3.15Å; E255-D302 PolarHBondContact N-O 3.49Å; E255-D302 VanDerWaalsContact N-O 3.12Å; E255-L303 HydrophobicContact CB-CD2 3.99Å; E255-S304 PolarHBondContact OE1-OG 3.03Å; E255-S304 WeakPolarHBondContact OE2-CB 3.48Å; E255-S304 PolarHBondContact OE2-N 3.15Å; E255-S304 PolarHBondContact OE2-OG 3.17Å; E255-S307 PolarHBondContact OE1-OG 3.26Å
256	H	69.9	Low	74.1	Confident	65 Å²	65	43.8 Å²	43.8	30%	0.301	22%	0.22	S	C	.	.	S	Bend	trans	-93.3	143.7	-170	-58.7	-80.1	0	0	0	113.4	Y109 Y254 G258 D259	Y109-H256 AromaticContact CD1-CD2 3.61Å; Y109-H256 AromaticContact CD1-CE1 3.51Å; Y109-H256 AromaticContact CD1-NE2 3.18Å; Y109-H256 WeakPolarHBondContact CD1-NE2 3.34Å; Y109-H256 HydrophobicContact CE1-CB 4.24Å; Y109-H256 AromaticContact CE1-CD2 3.13Å; Y109-H256 WeakPolarHBondContact CE1-CD2 3.5Å; Y109-H256 AromaticContact CE1-CE1 3.67Å; Y109-H256 AromaticContact CE1-CG 3.46Å; Y109-H256 VanDerWaalsContact CE1-CG 3.46Å; Y109-H256 AromaticContact CE1-ND1 3.78Å; Y109-H256 AromaticContact CE1-NE2 3.28Å; Y109-H256 VanDerWaalsContact CE1-NE2 3.28Å; Y109-H256 WeakPolarHBondContact CE1-NE2 3.19Å; Y109-H256 AromaticContact CZ-CD2 3.95Å; Y254-H256 WeakPolarHBondContact CD2-O 3.42Å; Y254-H256 VanDerWaalsContact CE2-O 3.23Å; Y254-H256 WeakPolarHBondContact CE2-O 3.38Å; H256-G258 VanDerWaalsContact C-N 3.26Å; H256-G258 PolarHBondContact O-N 3Å; H256-D259 WeakPolarHBondContact CB-OD2 3.36Å; H256-D259 IonicContact CD2-OD2 3.68Å; H256-D259 PolarHBondContact N-OD2 3.35Å; H256-D259 PolarHBondContact O-N 3.18Å
257	S	64.7	Low	74.5	Confident	68 Å²	68	41.7 Å²	41.7	48%	0.476	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-30.3	-176.3	33.5	0	0	0	0	114.6	D259	S257-D259 VanDerWaalsContact C-N 3.33Å
258	G	60.9	Low	74.7	Confident	47 Å²	47	48.2 Å²	48.2	49%	0.485	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-32.4	179.7	0	0	0	0	0	113.4	H256 F260 L261	H256-G258 VanDerWaalsContact C-N 3.26Å; H256-G258 PolarHBondContact O-N 3Å; G258-F260 PolarHBondContact O-N 2.74Å; G258-F260 VanDerWaalsContact O-N 3.07Å; G258-L261 PolarHBondContact O-N 3.11Å; G258-L261 VanDerWaalsContact O-N 3.13Å
259	D	68.2	Low	75	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.011	24%	0.238	C	C	.	.	H	α-helix	trans	-66.3	-18.7	-173.6	-50.7	-29.1	0	0	0	112.5	Y109 Y254 H256 S257 L261 K262 Y263	Y109-D259 PolarHBondContact OH-OD1 3.45Å; Y254-D259 HydrophobicContact CD2-CB 3.98Å; Y254-D259 HydrophobicContact CG-CB 4.29Å; H256-D259 WeakPolarHBondContact CB-OD2 3.36Å; H256-D259 IonicContact CD2-OD2 3.68Å; H256-D259 PolarHBondContact N-OD2 3.35Å; H256-D259 PolarHBondContact O-N 3.18Å; S257-D259 VanDerWaalsContact C-N 3.33Å; D259-L261 VanDerWaalsContact C-N 3.33Å; D259-L261 PolarHBondContact O-N 3.16Å; D259-K262 WeakPolarHBondContact O-CB 3.06Å; D259-K262 PolarHBondContact O-N 3.5Å; D259-Y263 HydrophobicContact CB-CE2 4.15Å; D259-Y263 WeakPolarHBondContact O-CD2 3.05Å; D259-Y263 PolarHBondContact O-N 2.59Å
260	F	69.7	Low	74.8	Confident	78 Å²	78	46.9 Å²	46.9	34%	0.342	24%	0.244	S	C	.	.	H	α-helix	trans	-61.1	-41.6	175	-178.9	-107.1	0	0	0	112.5	Y254 G258 Y263 R264 I276	Y254-F260 HydrophobicContact CE1-CD2 4.26Å; Y254-F260 HydrophobicContact CE2-CB 4.09Å; G258-F260 PolarHBondContact O-N 2.74Å; G258-F260 VanDerWaalsContact O-N 3.07Å; F260-Y263 PolarHBondContact O-N 3.27Å; F260-R264 HydrophobicContact CE1-CB 4.46Å; F260-R264 WeakPolarHBondContact O-CB 3.35Å; F260-R264 PolarHBondContact O-N 3.03Å; F260-I276 HydrophobicContact CD2-CG2 3.83Å; F260-I276 HydrophobicContact CE2-CD1 4.22Å; F260-I276 HydrophobicContact CE2-CG2 3.98Å
261	L	66.3	Low	74.1	Confident	96 Å²	96	55.4 Å²	55.4	50%	0.503	28%	0.284	S	S	.	.	H	α-helix	trans	-66.8	-42.3	-177.1	-165.6	70	0	0	0	110.6	G258 D259 Y263 R264 E265	G258-L261 PolarHBondContact O-N 3.11Å; G258-L261 VanDerWaalsContact O-N 3.13Å; D259-L261 VanDerWaalsContact C-N 3.33Å; D259-L261 PolarHBondContact O-N 3.16Å; L261-Y263 VanDerWaalsContact C-N 3.34Å; L261-Y263 PolarHBondContact O-N 3.37Å; L261-R264 PolarHBondContact O-N 3.36Å; L261-E265 PolarHBondContact O-N 3.22Å
262	K	73.4	Confident	73.4	Confident	26 Å²	26	56.5 Å²	56.5	11%	0.113	29%	0.291	C	S	.	.	H	α-helix	trans	-50.3	-48.8	172.2	165	-160.4	179.1	-177.5	0	112.2	Q229 A233 D259 D302	Q229-K262 HydrophobicContact CB-CD 3.99Å; Q229-K262 HydrophobicContact CB-CG 4.21Å; Q229-K262 WeakPolarHBondContact O-CE 3.41Å; A233-K262 HydrophobicContact CB-CG 4.1Å; A233-K262 WeakPolarHBondContact CB-O 3.4Å; D259-K262 WeakPolarHBondContact O-CB 3.06Å; D259-K262 PolarHBondContact O-N 3.5Å; K262-D302 IonicContact NZ-OD2 3.21Å; K262-D302 PolarHBondContact NZ-OD2 3.16Å
263	Y	77.3	Confident	72.8	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-79.1	-33.2	-178.4	-65.5	-58.1	0	0	0	113.2	L236 I252 D259 F260 L261 E265 C266 L267 D302	L236-Y263 HydrophobicContact CD2-CD1 3.54Å; L236-Y263 HydrophobicContact CD2-CE1 3.7Å; I252-Y263 HydrophobicContact CD1-CD1 4Å; I252-Y263 HydrophobicContact CD1-CG 4.05Å; I252-Y263 HydrophobicContact CG2-CD1 4.36Å; I252-Y263 HydrophobicContact CG2-CD2 3.79Å; I252-Y263 HydrophobicContact CG2-CE1 4.38Å; I252-Y263 HydrophobicContact CG2-CE2 3.83Å; I252-Y263 HydrophobicContact CG2-CG 4.08Å; D259-Y263 HydrophobicContact CB-CE2 4.15Å; D259-Y263 WeakPolarHBondContact O-CD2 3.05Å; D259-Y263 PolarHBondContact O-N 2.59Å; F260-Y263 PolarHBondContact O-N 3.27Å; L261-Y263 VanDerWaalsContact C-N 3.34Å; L261-Y263 PolarHBondContact O-N 3.37Å; Y263-E265 PolarHBondContact O-N 2.93Å; Y263-C266 PolarHBondContact O-N 2.94Å; Y263-L267 WeakPolarHBondContact O-CD1 3.5Å; Y263-L267 WeakPolarHBondContact O-CG 3.29Å; Y263-L267 PolarHBondContact O-N 3.47Å; Y263-D302 HydrophobicContact CE2-CB 4.35Å; Y263-D302 WeakPolarHBondContact OH-CB 3.32Å; Y263-D302 PolarHBondContact OH-OD2 3.22Å
264	R	73.6	Confident	72.5	Confident	128 Å²	128	62.8 Å²	62.8	48%	0.483	33%	0.333	S	S	.	.	H	α-helix	trans	-58.7	-51.2	-177.2	-179.7	-178.8	171.7	174.2	1.7	112.3	F260 L261 C266 L267 E268	F260-R264 HydrophobicContact CE1-CB 4.46Å; F260-R264 WeakPolarHBondContact O-CB 3.35Å; F260-R264 PolarHBondContact O-N 3.03Å; L261-R264 PolarHBondContact O-N 3.36Å; R264-C266 PolarHBondContact O-N 2.85Å; R264-L267 PolarHBondContact O-N 3.11Å; R264-L267 VanDerWaalsContact O-N 3.09Å; R264-E268 IonicContact NE-OE1 3.98Å; R264-E268 PolarHBondContact NE-OE1 3.35Å; R264-E268 IonicContact NH2-OE1 3.96Å; R264-E268 PolarHBondContact O-N 3.35Å
265	E	69.4	Low	72.4	Confident	131 Å²	131	63.9 Å²	63.9	61%	0.612	34%	0.34	S	S	*	.	H	α-helix	trans	-60	-35.1	-176.6	-66.6	-174.6	170.9	0	0	112.4	L261 Y263	L261-E265 PolarHBondContact O-N 3.22Å; Y263-E265 PolarHBondContact O-N 2.93Å
266	C	72.7	Confident	72.8	Confident	6 Å²	6	63.7 Å²	63.7	4%	0.041	34%	0.34	C	S	.	.	H	α-helix	trans	-70	-34.1	177.3	170.1	0	0	0	0	113.3	A233 K237 Y263 R264	A233-C266 HydrophobicContact CB-CB 3.89Å; A233-C266 PolarHBondContact O-SG 2.9Å; K237-C266 WeakPolarHBondContact CB-SG 3.37Å; Y263-C266 PolarHBondContact O-N 2.94Å; R264-C266 PolarHBondContact O-N 2.85Å
267	L	74.4	Confident	73.6	Confident	24 Å²	24	64.2 Å²	64.2	13%	0.126	34%	0.34	C	S	.	.	H	α-helix	trans	-87	-16.8	-169.6	-66.4	170.4	0	0	0	113.5	I240 F250 I252 Y263 R264 S269 L270 A274 I276	I240-L267 HydrophobicContact CD1-CD2 4.25Å; F250-L267 HydrophobicContact CE2-CD2 3.97Å; F250-L267 HydrophobicContact CZ-CD2 3.68Å; I252-L267 HydrophobicContact CD1-CD1 3.79Å; I252-L267 HydrophobicContact CD1-CD2 4.32Å; Y263-L267 WeakPolarHBondContact O-CD1 3.5Å; Y263-L267 WeakPolarHBondContact O-CG 3.29Å; Y263-L267 PolarHBondContact O-N 3.47Å; R264-L267 PolarHBondContact O-N 3.11Å; R264-L267 VanDerWaalsContact O-N 3.09Å; L267-S269 PolarHBondContact O-N 2.9Å; L267-L270 HydrophobicContact CD2-CD1 3.49Å; L267-L270 VanDerWaalsContact CD2-CD1 3.49Å; L267-L270 PolarHBondContact O-N 3.16Å; L267-A274 HydrophobicContact CD1-CB 4.37Å; L267-A274 HydrophobicContact CD2-CB 4.27Å; L267-I276 HydrophobicContact CD1-CD1 3.23Å; L267-I276 HydrophobicContact CD1-CG1 3.77Å
268	E	74.1	Confident	74.5	Confident	143 Å²	143	65.8 Å²	65.8	67%	0.668	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-18.3	-178.3	-74.4	-178.5	176.2	0	0	113.6	R264	R264-E268 IonicContact NE-OE1 3.98Å; R264-E268 PolarHBondContact NE-OE1 3.35Å; R264-E268 IonicContact NH2-OE1 3.96Å; R264-E268 PolarHBondContact O-N 3.35Å
269	S	70.8	Confident	75.6	Confident	76 Å²	76	63.9 Å²	63.9	53%	0.531	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-1	179.9	64.1	0	0	0	0	116	K237 L267	K237-S269 WeakPolarHBondContact CE-OG 3.33Å; L267-S269 PolarHBondContact O-N 2.9Å
270	L	72	Confident	75.9	Confident	30 Å²	30	70 Å²	70	16%	0.157	34%	0.336	C	S	.	.			trans	-96.4	148.1	-171.4	-65.4	169.1	0	0	0	112.5	I240 V241 F250 L267	I240-L270 HydrophobicContact CB-CD1 4.42Å; I240-L270 HydrophobicContact CD1-CD1 3.83Å; I240-L270 HydrophobicContact CG2-CD1 4.06Å; I240-L270 HydrophobicContact CG2-CD2 4.1Å; V241-L270 HydrophobicContact CG2-CD2 3.93Å; F250-L270 HydrophobicContact CZ-CD1 4.34Å; L267-L270 HydrophobicContact CD2-CD1 3.49Å; L267-L270 VanDerWaalsContact CD2-CD1 3.49Å; L267-L270 PolarHBondContact O-N 3.16Å
271	Q	70.3	Confident	75.6	Confident	179 Å²	179	71.7 Å²	71.7	84%	0.836	35%	0.345	S	S	*	.			trans	-90.6	-26.8	174.7	-60.4	-173	-11.6	0	0	112.7	E244	E244-Q271 WeakPolarHBondContact OE1-CB 3.33Å; E244-Q271 PolarHBondContact OE1-N 3.11Å
272	T	72.6	Confident	75.8	Confident	23 Å²	23	71.2 Å²	71.2	14%	0.141	34%	0.343	C	S	.	.	S	Bend	trans	-67.8	143.2	-179.6	33.3	0	0	0	0	112.9	I240 E244 W247 A274	I240-T272 WeakPolarHBondContact CG2-OG1 3.42Å; E244-T272 HydrophobicContact CB-CG2 4.46Å; E244-T272 HydrophobicContact CG-CG2 3.49Å; E244-T272 VanDerWaalsContact CG-CG2 3.49Å; W247-T272 WeakPolarHBondContact O-CG2 3.43Å; T272-A274 PolarHBondContact O-N 3.02Å
273	T	76.5	Confident	75.3	Confident	94 Å²	94	74.3 Å²	74.3	58%	0.577	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	121.5	-178.8	59.9	0	0	0	0	111.2	K248 G249 F250	K248-T273 PolarHBondContact O-OG1 3.49Å; K248-T273 VanDerWaalsContact O-OG1 3.09Å; G249-T273 CarbonylContact C-O 3.48Å; G249-T273 WeakPolarHBondContact CA-O 3.43Å; F250-T273 PolarHBondContact N-O 2.72Å
274	A	82.4	Confident	74.7	Confident	37 Å²	37	81.4 Å²	81.4	31%	0.306	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	123.3	-179.6	0	0	0	0	0	111	F250 L267 T272	F250-A274 HydrophobicContact CD2-CB 4.33Å; F250-A274 HydrophobicContact CE1-CB 4.03Å; F250-A274 HydrophobicContact CE2-CB 3.58Å; F250-A274 HydrophobicContact CZ-CB 3.39Å; F250-A274 WeakPolarHBondContact O-CA 3.44Å; L267-A274 HydrophobicContact CD1-CB 4.37Å; L267-A274 HydrophobicContact CD2-CB 4.27Å; T272-A274 PolarHBondContact O-N 3.02Å
275	L	84	Confident	74.7	Confident	47 Å²	47	80.4 Å²	80.4	25%	0.246	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	102.9	171.4	-69.4	-174.7	0	0	0	110.4	F250 A251 I252 I293 L296	F250-L275 PolarHBondContact O-N 3.15Å; A251-L275 CarbonylContact C-O 3.53Å; A251-L275 VanDerWaalsContact CA-O 3.31Å; A251-L275 WeakPolarHBondContact CA-O 3.3Å; I252-L275 PolarHBondContact N-O 2.79Å; L275-I293 HydrophobicContact CB-CG2 4.39Å; L275-I293 HydrophobicContact CD1-CG2 4.32Å; L275-L296 HydrophobicContact CB-CD1 4.16Å; L275-L296 HydrophobicContact CD1-CD1 3.77Å; L275-L296 HydrophobicContact CG-CD1 4.12Å
276	I	85.4	Confident	75.2	Confident	38 Å²	38	75.2 Å²	75.2	20%	0.195	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	122.4	177.5	-52.1	169.5	0	0	0	109.1	I252 Y254 F260 L267	I252-I276 HydrophobicContact CD1-CG1 4.43Å; I252-I276 WeakPolarHBondContact O-CA 3.5Å; Y254-I276 HydrophobicContact CD1-CG2 3.96Å; Y254-I276 HydrophobicContact CE1-CG2 3.5Å; Y254-I276 VanDerWaalsContact CE1-CG2 3.5Å; F260-I276 HydrophobicContact CD2-CG2 3.83Å; F260-I276 HydrophobicContact CE2-CD1 4.22Å; F260-I276 HydrophobicContact CE2-CG2 3.98Å; L267-I276 HydrophobicContact CD1-CD1 3.23Å; L267-I276 HydrophobicContact CD1-CG1 3.77Å
277	R	86.3	Confident	75.3	Confident	76 Å²	76	77.3 Å²	77.3	29%	0.287	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	134.4	-178.2	-67.7	-64.7	-179.6	-93.9	3.1	111.7	I252 V253 Y254 I289 E292	I252-R277 PolarHBondContact O-N 3.11Å; V253-R277 WeakPolarHBondContact CA-O 3.36Å; Y254-R277 VanDerWaalsContact CD1-O 3.31Å; Y254-R277 WeakPolarHBondContact CD1-O 3.14Å; Y254-R277 PolarHBondContact N-O 2.97Å; Y254-R277 VanDerWaalsContact N-O 3.1Å; R277-I289 HydrophobicContact CB-CD1 4.3Å; R277-I289 HydrophobicContact CB-CG1 4.09Å; R277-I289 HydrophobicContact CB-CG2 3.85Å; R277-I289 HydrophobicContact CG-CG1 4.28Å; R277-I289 HydrophobicContact CG-CG2 4.15Å; R277-E292 IonicContact CZ-OE2 2.76Å; R277-E292 IonicContact NE-OE2 3.45Å; R277-E292 PolarHBondContact NE-OE2 2.88Å; R277-E292 IonicContact NH2-OE1 3.32Å; R277-E292 IonicContact NH2-OE2 3.26Å; R277-E292 PolarHBondContact NH2-OE2 2.74Å
278	R	84	Confident	75.4	Confident	101 Å²	101	80.2 Å²	80.2	38%	0.381	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	127	172.8	-170.9	174.4	174	-168	-3.9	110.3	Y254 E255 R280 I289	Y254-R278 HydrophobicContact CD2-CG 4.26Å; Y254-R278 HydrophobicContact CE1-CB 4.14Å; Y254-R278 HydrophobicContact CE2-CB 3.83Å; Y254-R278 HydrophobicContact CE2-CG 3.76Å; Y254-R278 CarbonylContact O-C 3.57Å; Y254-R278 VanDerWaalsContact O-CA 3.3Å; Y254-R278 WeakPolarHBondContact O-CA 3.36Å; E255-R278 PolarHBondContact O-NE 2.98Å; E255-R278 VanDerWaalsContact O-NE 3.15Å; R278-R280 VanDerWaalsContact C-N 3.33Å; R278-R280 HydrophobicContact CG-CG 4.35Å; R278-R280 PolarHBondContact O-N 3.5Å; R278-I289 WeakPolarHBondContact O-CD1 3.22Å
279	W	83.8	Confident	75.7	Confident	7 Å²	7	73.8 Å²	73.8	3%	0.027	37%	0.373	C	S	.	.			trans	-75.3	81.4	174.9	-162	-108.6	0	0	0	110.8	V253 Y254 K286 I289 I290 L303 F311 M314	V253-W279 HydrophobicContact CG1-CB 4.06Å; V253-W279 HydrophobicContact CG1-CD2 4.24Å; V253-W279 HydrophobicContact CG1-CE3 3.6Å; V253-W279 HydrophobicContact CG1-CG 4.48Å; V253-W279 HydrophobicContact CG1-CZ3 4.39Å; Y254-W279 PolarHBondContact O-N 2.98Å; W279-K286 HydrophobicContact CD2-CG 4.32Å; W279-K286 HydrophobicContact CH2-CB 4.08Å; W279-K286 HydrophobicContact CH2-CG 4.26Å; W279-K286 HydrophobicContact CZ2-CB 4.24Å; W279-K286 HydrophobicContact CZ2-CD 3.85Å; W279-K286 HydrophobicContact CZ2-CG 4Å; W279-K286 HydrophobicContact CZ3-CB 4.41Å; W279-I289 HydrophobicContact CE3-CD1 4.42Å; W279-I289 HydrophobicContact CE3-CG2 4.37Å; W279-I289 HydrophobicContact CZ3-CG2 4.21Å; W279-I290 HydrophobicContact CH2-CD1 3.88Å; W279-I290 HydrophobicContact CH2-CG1 4.11Å; W279-I290 HydrophobicContact CZ3-CD1 3.86Å; W279-I290 HydrophobicContact CZ3-CG1 4.23Å; W279-L303 HydrophobicContact CB-CD2 3.54Å; W279-L303 HydrophobicContact CG-CD2 3.85Å; W279-F311 HydrophobicContact CE3-CD2 4.32Å; W279-F311 HydrophobicContact CH2-CB 4.19Å; W279-F311 AromaticContact CH2-CD2 3.77Å; W279-F311 HydrophobicContact CH2-CD2 3.77Å; W279-F311 HydrophobicContact CH2-CG 4.44Å; W279-F311 HydrophobicContact CZ2-CB 4.12Å; W279-F311 HydrophobicContact CZ2-CD2 4.44Å; W279-F311 AromaticContact CZ3-CD2 3.7Å; W279-F311 HydrophobicContact CZ3-CD2 3.7Å; W279-F311 HydrophobicContact CZ3-CE2 4.34Å; W279-M314 HydrophobicContact CH2-SD 4.02Å; W279-M314 HydrophobicContact CZ2-SD 4.15Å
280	R	74.1	Confident	76.2	Confident	130 Å²	130	70.3 Å²	70.3	49%	0.491	35%	0.348	S	S	.	.			trans	-75.9	151.2	177.5	-63.5	-177.2	179.9	-179.5	-1.1	110.7	R278 N282 K286	R278-R280 VanDerWaalsContact C-N 3.33Å; R278-R280 HydrophobicContact CG-CG 4.35Å; R278-R280 PolarHBondContact O-N 3.5Å; R280-N282 VanDerWaalsContact C-N 3.3Å; R280-N282 PolarHBondContact O-N 3.01Å; R280-K286 WeakPolarHBondContact O-CE 3.15Å; R280-K286 VanDerWaalsContact O-CG 3.28Å; R280-K286 WeakPolarHBondContact O-CG 3.5Å
281	E	64.8	Low	76.5	Confident	114 Å²	114	77.4 Å²	77.4	53%	0.533	37%	0.372	S	S	.	.	S	Bend	trans	-62.2	-33	-177.9	-69	-171.9	170.2	0	0	114.3	S283 K286	E281-S283 PolarHBondContact O-N 3.07Å; E281-K286 WeakPolarHBondContact O-CE 3.49Å; E281-K286 PolarHBondContact O-NZ 3.36Å
282	N	69.6	Low	76.9	Confident	85 Å²	85	71.5 Å²	71.5	46%	0.455	35%	0.345	S	S	.	.			trans	-60.6	119.9	-177.1	-175.4	-14.6	0	0	0	112	R280 F284 Y285 K286	R280-N282 VanDerWaalsContact C-N 3.3Å; R280-N282 PolarHBondContact O-N 3.01Å; N282-F284 VanDerWaalsContact C-N 3.26Å; N282-F284 PolarHBondContact O-N 3.47Å; N282-F284 PolarHBondContact OD1-N 3.29Å; N282-F284 VanDerWaalsContact OD1-N 3.16Å; N282-Y285 HydrophobicContact CB-CD2 3.89Å; N282-Y285 PolarHBondContact O-N 3.42Å; N282-Y285 VanDerWaalsContact O-N 3.08Å; N282-K286 PolarHBondContact O-N 2.88Å; N282-K286 VanDerWaalsContact O-N 3.15Å
283	S	63.1	Low	77.3	Confident	91 Å²	91	70.4 Å²	70.4	64%	0.636	34%	0.338	S	S	*	.	H	α-helix	trans	-56.5	-35.5	-176.2	57.6	0	0	0	0	113.5	E281 Y285 K286 A287	E281-S283 PolarHBondContact O-N 3.07Å; S283-Y285 PolarHBondContact O-N 3.04Å; S283-K286 PolarHBondContact O-N 3.29Å; S283-A287 PolarHBondContact O-N 3Å
284	F	65.4	Low	77.3	Confident	150 Å²	150	70.1 Å²	70.1	66%	0.658	33%	0.329	S	S	*	.	H	α-helix	trans	-63	-43.2	177.6	-178.4	-94.9	0	0	0	111.8	N282 A287 H288	N282-F284 VanDerWaalsContact C-N 3.26Å; N282-F284 PolarHBondContact O-N 3.47Å; N282-F284 PolarHBondContact OD1-N 3.29Å; N282-F284 VanDerWaalsContact OD1-N 3.16Å; F284-A287 PolarHBondContact O-N 3.26Å; F284-H288 PolarHBondContact O-N 3.01Å; F284-H288 VanDerWaalsContact O-N 3.08Å
285	Y	73.1	Confident	76.9	Confident	106 Å²	106	73.7 Å²	73.7	42%	0.416	34%	0.339	S	S	.	.	H	α-helix	trans	-68.5	-39.1	177.4	-77.9	-86	0	0	0	111.5	N282 S283 A287 H288 I289	N282-Y285 HydrophobicContact CB-CD2 3.89Å; N282-Y285 PolarHBondContact O-N 3.42Å; N282-Y285 VanDerWaalsContact O-N 3.08Å; S283-Y285 PolarHBondContact O-N 3.04Å; Y285-A287 PolarHBondContact O-N 3.28Å; Y285-H288 PolarHBondContact O-N 3.32Å; Y285-I289 VanDerWaalsContact O-CG1 3.24Å; Y285-I289 WeakPolarHBondContact O-CG1 3.31Å; Y285-I289 PolarHBondContact O-N 3.39Å
286	K	79.7	Confident	76.5	Confident	22 Å²	22	72.4 Å²	72.4	10%	0.096	33%	0.332	C	S	.	.	H	α-helix	trans	-58.3	-47.3	174.8	-66	-180	177.9	173.8	0	111.3	W279 R280 E281 N282 S283 H288 I289 I290 M314	W279-K286 HydrophobicContact CD2-CG 4.32Å; W279-K286 HydrophobicContact CH2-CB 4.08Å; W279-K286 HydrophobicContact CH2-CG 4.26Å; W279-K286 HydrophobicContact CZ2-CB 4.24Å; W279-K286 HydrophobicContact CZ2-CD 3.85Å; W279-K286 HydrophobicContact CZ2-CG 4Å; W279-K286 HydrophobicContact CZ3-CB 4.41Å; R280-K286 WeakPolarHBondContact O-CE 3.15Å; R280-K286 VanDerWaalsContact O-CG 3.28Å; R280-K286 WeakPolarHBondContact O-CG 3.5Å; E281-K286 WeakPolarHBondContact O-CE 3.49Å; E281-K286 PolarHBondContact O-NZ 3.36Å; N282-K286 PolarHBondContact O-N 2.88Å; N282-K286 VanDerWaalsContact O-N 3.15Å; S283-K286 PolarHBondContact O-N 3.29Å; K286-H288 VanDerWaalsContact C-N 3.33Å; K286-H288 PolarHBondContact O-N 2.8Å; K286-I289 PolarHBondContact O-N 2.83Å; K286-I290 WeakPolarHBondContact O-CG1 3.26Å; K286-I290 PolarHBondContact O-N 2.96Å; K286-M314 HydrophobicContact CB-CE 3.67Å; K286-M314 HydrophobicContact CB-SD 3.72Å; K286-M314 HydrophobicContact CD-SD 4.3Å
287	A	75.5	Confident	76	Confident	51 Å²	51	72.8 Å²	72.8	42%	0.421	33%	0.333	S	S	.	.	H	α-helix	trans	-63.3	-38.9	178.5	0	0	0	0	0	112.5	S283 F284 Y285 R291 M314	S283-A287 PolarHBondContact O-N 3Å; F284-A287 PolarHBondContact O-N 3.26Å; Y285-A287 PolarHBondContact O-N 3.28Å; A287-R291 WeakPolarHBondContact O-CB 3.24Å; A287-R291 PolarHBondContact O-N 3.25Å; A287-M314 HydrophobicContact CB-CE 4.01Å
288	H	75.7	Confident	75.8	Confident	85 Å²	85	69.1 Å²	69.1	39%	0.394	32%	0.32	S	S	.	.	H	α-helix	trans	-63.3	-46.2	174.6	179.4	65.4	0	0	0	112.1	F284 Y285 K286 I290 R291 E292	F284-H288 PolarHBondContact O-N 3.01Å; F284-H288 VanDerWaalsContact O-N 3.08Å; Y285-H288 PolarHBondContact O-N 3.32Å; K286-H288 VanDerWaalsContact C-N 3.33Å; K286-H288 PolarHBondContact O-N 2.8Å; H288-I290 PolarHBondContact O-N 3.27Å; H288-R291 PolarHBondContact O-N 2.91Å; H288-E292 IonicContact CE1-OE1 3.57Å; H288-E292 PolarHBondContact CE1-OE1 2.99Å; H288-E292 IonicContact NE2-OE1 3.42Å; H288-E292 PolarHBondContact NE2-OE1 3.28Å; H288-E292 IonicContact NE2-OE2 2.78Å; H288-E292 WeakPolarHBondContact O-CG 3.38Å; H288-E292 PolarHBondContact O-N 3.14Å
289	I	80.2	Confident	75.9	Confident	8 Å²	8	64.3 Å²	64.3	4%	0.041	30%	0.301	C	S	.	.	H	α-helix	trans	-56.4	-50.7	176.2	-69.2	163.6	0	0	0	110.2	R277 R278 W279 Y285 K286 R291 E292 I293	R277-I289 HydrophobicContact CB-CD1 4.3Å; R277-I289 HydrophobicContact CB-CG1 4.09Å; R277-I289 HydrophobicContact CB-CG2 3.85Å; R277-I289 HydrophobicContact CG-CG1 4.28Å; R277-I289 HydrophobicContact CG-CG2 4.15Å; R278-I289 WeakPolarHBondContact O-CD1 3.22Å; W279-I289 HydrophobicContact CE3-CD1 4.42Å; W279-I289 HydrophobicContact CE3-CG2 4.37Å; W279-I289 HydrophobicContact CZ3-CG2 4.21Å; Y285-I289 VanDerWaalsContact O-CG1 3.24Å; Y285-I289 WeakPolarHBondContact O-CG1 3.31Å; Y285-I289 PolarHBondContact O-N 3.39Å; K286-I289 PolarHBondContact O-N 2.83Å; I289-R291 VanDerWaalsContact C-N 3.33Å; I289-R291 PolarHBondContact O-N 3.01Å; I289-E292 PolarHBondContact O-N 3.03Å; I289-E292 VanDerWaalsContact O-N 3.17Å; I289-I293 HydrophobicContact CG2-CD1 4.17Å; I289-I293 WeakPolarHBondContact O-CG1 3.39Å; I289-I293 PolarHBondContact O-N 3.11Å
290	I	82.2	Confident	76.2	Confident	2 Å²	2	64 Å²	64	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-58.7	-44.9	179.1	-65.2	-55.4	0	0	0	111.2	W279 K286 H288 E292 I293 K294 F311 M314 M315 Q318	W279-I290 HydrophobicContact CH2-CD1 3.88Å; W279-I290 HydrophobicContact CH2-CG1 4.11Å; W279-I290 HydrophobicContact CZ3-CD1 3.86Å; W279-I290 HydrophobicContact CZ3-CG1 4.23Å; K286-I290 WeakPolarHBondContact O-CG1 3.26Å; K286-I290 PolarHBondContact O-N 2.96Å; H288-I290 PolarHBondContact O-N 3.27Å; I290-E292 VanDerWaalsContact C-N 3.28Å; I290-E292 PolarHBondContact O-N 2.78Å; I290-I293 HydrophobicContact CD1-CD1 4.24Å; I290-I293 PolarHBondContact O-N 2.88Å; I290-K294 WeakPolarHBondContact O-CB 3.5Å; I290-K294 PolarHBondContact O-N 2.89Å; I290-F311 HydrophobicContact CD1-CD2 3.72Å; I290-F311 HydrophobicContact CD1-CE2 3.53Å; I290-F311 HydrophobicContact CD1-CZ 4.25Å; I290-M314 HydrophobicContact CG1-CB 3.98Å; I290-M315 HydrophobicContact CD1-CG 3.94Å; I290-M315 HydrophobicContact CD1-SD 3.94Å; I290-M315 HydrophobicContact CG2-SD 3.82Å; I290-Q318 HydrophobicContact CG2-CB 4.44Å; I290-Q318 HydrophobicContact CG2-CG 3.76Å
291	R	77.8	Confident	76.9	Confident	179 Å²	179	57.8 Å²	57.8	68%	0.675	28%	0.277	S	S	*	.	H	α-helix	trans	-62.5	-36	179	-176.7	177.7	176.3	172.1	-0.1	112.5	A287 H288 I289	A287-R291 WeakPolarHBondContact O-CB 3.24Å; A287-R291 PolarHBondContact O-N 3.25Å; H288-R291 PolarHBondContact O-N 2.91Å; I289-R291 VanDerWaalsContact C-N 3.33Å; I289-R291 PolarHBondContact O-N 3.01Å
292	E	78.1	Confident	77.9	Confident	56 Å²	56	53.4 Å²	53.4	26%	0.262	26%	0.257	S	S	.	.	H	α-helix	trans	-71.3	-43.7	176.1	-73.7	-166.9	150.1	0	0	111.8	R277 H288 I289 I290 H295	R277-E292 IonicContact CZ-OE2 2.76Å; R277-E292 IonicContact NE-OE2 3.45Å; R277-E292 PolarHBondContact NE-OE2 2.88Å; R277-E292 IonicContact NH2-OE1 3.32Å; R277-E292 IonicContact NH2-OE2 3.26Å; R277-E292 PolarHBondContact NH2-OE2 2.74Å; H288-E292 IonicContact CE1-OE1 3.57Å; H288-E292 PolarHBondContact CE1-OE1 2.99Å; H288-E292 IonicContact NE2-OE1 3.42Å; H288-E292 PolarHBondContact NE2-OE1 3.28Å; H288-E292 IonicContact NE2-OE2 2.78Å; H288-E292 WeakPolarHBondContact O-CG 3.38Å; H288-E292 PolarHBondContact O-N 3.14Å; I289-E292 PolarHBondContact O-N 3.03Å; I289-E292 VanDerWaalsContact O-N 3.17Å; I290-E292 VanDerWaalsContact C-N 3.28Å; I290-E292 PolarHBondContact O-N 2.78Å; E292-H295 PolarHBondContact O-CE1 3.06Å; E292-H295 PolarHBondContact O-ND1 2.84Å
293	I	81.2	Confident	78.6	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-87.7	-15.5	-171	68.7	-178.8	0	0	0	114.4	A251 V253 L275 I289 I290 H295 L296 F299 F311	A251-I293 HydrophobicContact CB-CB 3.85Å; A251-I293 HydrophobicContact CB-CD1 4.4Å; A251-I293 HydrophobicContact CB-CG2 3.72Å; V253-I293 HydrophobicContact CG2-CD1 3.87Å; L275-I293 HydrophobicContact CB-CG2 4.39Å; L275-I293 HydrophobicContact CD1-CG2 4.32Å; I289-I293 HydrophobicContact CG2-CD1 4.17Å; I289-I293 WeakPolarHBondContact O-CG1 3.39Å; I289-I293 PolarHBondContact O-N 3.11Å; I290-I293 HydrophobicContact CD1-CD1 4.24Å; I290-I293 PolarHBondContact O-N 2.88Å; I293-H295 PolarHBondContact O-N 2.84Å; I293-L296 HydrophobicContact CB-CD1 4.3Å; I293-L296 WeakPolarHBondContact O-CB 3.29Å; I293-L296 WeakPolarHBondContact O-CG 3.31Å; I293-L296 PolarHBondContact O-N 3.1Å; I293-F299 HydrophobicContact CB-CE1 4.05Å; I293-F299 HydrophobicContact CD1-CD1 4.1Å; I293-F299 HydrophobicContact CD1-CE1 4.1Å; I293-F299 HydrophobicContact CG1-CD1 4.4Å; I293-F299 HydrophobicContact CG1-CE1 3.9Å; I293-F299 WeakPolarHBondContact O-CE1 3.46Å; I293-F311 HydrophobicContact CD1-CE2 3.76Å; I293-F311 HydrophobicContact CD1-CZ 4.06Å
294	K	77.8	Confident	79.3	Confident	87 Å²	87	47.7 Å²	47.7	38%	0.378	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-18	-169.7	67.5	177.9	-178.1	172.3	0	116.9	I290 V320	I290-K294 WeakPolarHBondContact O-CB 3.5Å; I290-K294 PolarHBondContact O-N 2.89Å; K294-V320 HydrophobicContact CB-CG2 3.84Å
295	H	72.6	Confident	79.8	Confident	112 Å²	112	41.3 Å²	41.3	52%	0.519	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-3.4	-178.8	62.2	-89.2	0	0	0	113	E292 I293	E292-H295 PolarHBondContact O-CE1 3.06Å; E292-H295 PolarHBondContact O-ND1 2.84Å; I293-H295 PolarHBondContact O-N 2.84Å
296	L	77.1	Confident	79.9	Confident	20 Å²	20	42.9 Å²	42.9	11%	0.105	21%	0.207	C	C	.	.			trans	-85.8	159.7	178.8	-57.8	175.2	0	0	0	111.2	A251 L275 I293 F299	A251-L296 HydrophobicContact CB-CD1 3.77Å; L275-L296 HydrophobicContact CB-CD1 4.16Å; L275-L296 HydrophobicContact CD1-CD1 3.77Å; L275-L296 HydrophobicContact CG-CD1 4.12Å; I293-L296 HydrophobicContact CB-CD1 4.3Å; I293-L296 WeakPolarHBondContact O-CB 3.29Å; I293-L296 WeakPolarHBondContact O-CG 3.31Å; I293-L296 PolarHBondContact O-N 3.1Å; L296-F299 HydrophobicContact CB-CE1 4.36Å; L296-F299 HydrophobicContact CB-CZ 4.28Å; L296-F299 WeakPolarHBondContact O-CE2 3.47Å; L296-F299 WeakPolarHBondContact O-CZ 3.47Å
297	E	73.6	Confident	80.1	Confident	46 Å²	46	42.2 Å²	42.2	22%	0.215	21%	0.205	C	C	.	.	S	Bend	trans	-101.6	-22.2	-173.3	-63.6	-178.5	161.7	0	0	113.3	A325 Q326 N839	E297-A325 WeakPolarHBondContact O-CA 3.47Å; E297-Q326 PolarHBondContact O-N 3.46Å; E297-N839 PolarHBondContact OE1-ND2 3.07Å
298	A	82.8	Confident	80.5	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	133.8	-179.3	0	0	0	0	0	111.4	W247 F250 A251 F300 Q326	W247-A298 HydrophobicContact CD2-CB 3.61Å; W247-A298 HydrophobicContact CE3-CB 3.96Å; W247-A298 HydrophobicContact CG-CB 4.05Å; W247-A298 HydrophobicContact CH2-CB 4.27Å; W247-A298 HydrophobicContact CZ2-CB 3.94Å; W247-A298 HydrophobicContact CZ3-CB 4.27Å; F250-A298 VanDerWaalsContact CA-O 3.31Å; F250-A298 WeakPolarHBondContact CA-O 3.36Å; F250-A298 HydrophobicContact CB-CB 3.92Å; F250-A298 WeakPolarHBondContact CB-O 3.39Å; A251-A298 PolarHBondContact N-O 3.19Å; A298-F300 HydrophobicContact CB-CE2 4.45Å; A298-Q326 WeakPolarHBondContact CA-O 3.17Å
299	F	87	Confident	80.7	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	119.3	-176.7	-57.3	-88.2	0	0	0	110	A251 I293 L296 L301 F311 M315 A325 Q326 Y327 F328	A251-F299 HydrophobicContact CB-CD1 3.93Å; A251-F299 HydrophobicContact CB-CE1 4.38Å; I293-F299 HydrophobicContact CB-CE1 4.05Å; I293-F299 HydrophobicContact CD1-CD1 4.1Å; I293-F299 HydrophobicContact CD1-CE1 4.1Å; I293-F299 HydrophobicContact CG1-CD1 4.4Å; I293-F299 HydrophobicContact CG1-CE1 3.9Å; I293-F299 WeakPolarHBondContact O-CE1 3.46Å; L296-F299 HydrophobicContact CB-CE1 4.36Å; L296-F299 HydrophobicContact CB-CZ 4.28Å; L296-F299 WeakPolarHBondContact O-CE2 3.47Å; L296-F299 WeakPolarHBondContact O-CZ 3.47Å; F299-L301 HydrophobicContact CB-CD2 4.33Å; F299-F311 HydrophobicContact CD1-CZ 4.41Å; F299-M315 HydrophobicContact CE1-CE 4.26Å; F299-M315 HydrophobicContact CE2-CE 4.41Å; F299-M315 HydrophobicContact CZ-CE 3.99Å; F299-A325 HydrophobicContact CD2-CB 3.98Å; F299-A325 HydrophobicContact CE2-CB 3.66Å; F299-Q326 PolarHBondContact N-O 3.1Å; F299-Y327 HydrophobicContact CB-CD1 3.79Å; F299-Y327 HydrophobicContact CB-CE1 4.14Å; F299-Y327 AromaticContact CD2-CD1 3.97Å; F299-Y327 HydrophobicContact CD2-CD1 3.97Å; F299-Y327 AromaticContact CD2-CE1 3.62Å; F299-Y327 HydrophobicContact CD2-CE1 3.62Å; F299-Y327 HydrophobicContact CE2-CE1 4.28Å; F299-Y327 HydrophobicContact CG-CD1 4.13Å; F299-Y327 AromaticContact CG-CE1 3.97Å; F299-Y327 HydrophobicContact CG-CE1 3.97Å; F299-Y327 WeakPolarHBondContact O-CA 3.35Å; F299-F328 PolarHBondContact O-N 2.64Å
300	F	89	Confident	80.7	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	113.7	174.2	-65.5	-82.1	0	0	0	108.8	L236 L239 I240 W247 F250 A251 I252 V253 A298 F328 F330	L236-F300 HydrophobicContact CD1-CB 4.46Å; L236-F300 HydrophobicContact CD1-CD1 3.21Å; L236-F300 HydrophobicContact CD1-CD2 3.68Å; L236-F300 HydrophobicContact CD1-CE1 3.1Å; L236-F300 HydrophobicContact CD1-CE2 3.56Å; L236-F300 HydrophobicContact CD1-CG 3.51Å; L236-F300 HydrophobicContact CD1-CZ 3.28Å; L239-F300 HydrophobicContact CD1-CE1 4.2Å; I240-F300 HydrophobicContact CG1-CE2 4.35Å; I240-F300 HydrophobicContact CG1-CZ 4.35Å; W247-F300 HydrophobicContact CH2-CE2 4.32Å; W247-F300 AromaticContact CH2-CZ 3.7Å; W247-F300 HydrophobicContact CH2-CZ 3.7Å; W247-F300 AromaticContact CZ3-CE2 3.9Å; W247-F300 HydrophobicContact CZ3-CE2 3.9Å; W247-F300 AromaticContact CZ3-CZ 3.6Å; W247-F300 HydrophobicContact CZ3-CZ 3.6Å; F250-F300 HydrophobicContact CB-CD2 4.39Å; F250-F300 HydrophobicContact CB-CE2 4.09Å; F250-F300 AromaticContact CD2-CD2 3.81Å; F250-F300 HydrophobicContact CD2-CD2 3.81Å; F250-F300 AromaticContact CD2-CE2 3.82Å; F250-F300 HydrophobicContact CD2-CE2 3.82Å; F250-F300 HydrophobicContact CG-CD2 4.41Å; F250-F300 HydrophobicContact CG-CE2 4.08Å; A251-F300 PolarHBondContact O-N 3.13Å; I252-F300 WeakPolarHBondContact CA-O 3.26Å; I252-F300 HydrophobicContact CG1-CB 4.18Å; I252-F300 HydrophobicContact CG1-CD2 4.42Å; I252-F300 HydrophobicContact CG2-CB 4.47Å; V253-F300 PolarHBondContact N-O 3.41Å; A298-F300 HydrophobicContact CB-CE2 4.45Å; F300-F328 CarbonylContact C-O 3.46Å; F300-F328 WeakPolarHBondContact CA-O 3.24Å; F300-F328 HydrophobicContact CD1-CB 3.36Å; F300-F328 AromaticContact CD1-CD2 3.96Å; F300-F328 HydrophobicContact CD1-CD2 3.96Å; F300-F328 AromaticContact CD1-CG 3.82Å; F300-F328 HydrophobicContact CD1-CG 3.82Å; F300-F328 HydrophobicContact CE1-CB 3.57Å; F300-F328 HydrophobicContact CE1-CD1 4.19Å; F300-F328 AromaticContact CE1-CD2 3.43Å; F300-F328 HydrophobicContact CE1-CD2 3.43Å; F300-F328 VanDerWaalsContact CE1-CD2 3.43Å; F300-F328 HydrophobicContact CE1-CE2 4.15Å; F300-F328 AromaticContact CE1-CG 3.46Å; F300-F328 HydrophobicContact CE1-CG 3.46Å; F300-F328 VanDerWaalsContact CE1-CG 3.46Å; F300-F328 HydrophobicContact CE2-CD2 4.49Å; F300-F328 HydrophobicContact CG-CB 4.29Å; F300-F328 AromaticContact CZ-CD2 3.75Å; F300-F328 HydrophobicContact CZ-CD2 3.75Å; F300-F328 HydrophobicContact CZ-CE2 4.13Å; F300-F328 HydrophobicContact CZ-CG 4.24Å; F300-F330 HydrophobicContact CB-CE2 4.06Å; F300-F330 HydrophobicContact CD1-CE2 4.1Å; F300-F330 HydrophobicContact CD1-CZ 4.04Å
301	L	88.5	Confident	80.9	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	106.7	-173.2	-53.7	-178.2	0	0	0	109.2	V253 F299 L303 F311 F312 Y327 F328 I329 F330	V253-L301 HydrophobicContact CB-CD2 3.98Å; V253-L301 HydrophobicContact CG2-CD2 4.15Å; F299-L301 HydrophobicContact CB-CD2 4.33Å; L301-L303 HydrophobicContact CB-CD1 4.34Å; L301-L303 HydrophobicContact CB-CG 4.44Å; L301-L303 HydrophobicContact CD2-CD1 4.35Å; L301-F311 HydrophobicContact CD1-CD1 3.69Å; L301-F311 HydrophobicContact CD1-CE1 3.68Å; L301-F311 HydrophobicContact CD1-CG 4.4Å; L301-F311 HydrophobicContact CD1-CZ 4.38Å; L301-F311 HydrophobicContact CD2-CD1 4.18Å; L301-F311 HydrophobicContact CD2-CD2 4.22Å; L301-F311 HydrophobicContact CD2-CE1 3.8Å; L301-F311 HydrophobicContact CD2-CE2 3.83Å; L301-F311 HydrophobicContact CD2-CG 4.39Å; L301-F311 HydrophobicContact CD2-CZ 3.63Å; L301-F311 HydrophobicContact CG-CE1 4.39Å; L301-F312 HydrophobicContact CD1-CE2 4.17Å; L301-F312 HydrophobicContact CD1-CZ 4Å; L301-Y327 HydrophobicContact CD1-CD1 4.29Å; L301-F328 PolarHBondContact N-O 3.36Å; L301-I329 HydrophobicContact CB-CG1 4.4Å; L301-I329 HydrophobicContact CD1-CG1 4.27Å; L301-F330 PolarHBondContact O-N 3.3Å
302	D	86.5	Confident	81.1	Confident	21 Å²	21	33.6 Å²	33.6	11%	0.112	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	70.5	172.3	-159.2	-2.5	0	0	0	108.6	V253 Y254 E255 K262 Y263 F330	V253-D302 PolarHBondContact O-N 3.16Å; Y254-D302 WeakPolarHBondContact CA-O 3.36Å; E255-D302 PolarHBondContact N-O 3.49Å; E255-D302 VanDerWaalsContact N-O 3.12Å; K262-D302 IonicContact NZ-OD2 3.21Å; K262-D302 PolarHBondContact NZ-OD2 3.16Å; Y263-D302 HydrophobicContact CE2-CB 4.35Å; Y263-D302 WeakPolarHBondContact OH-CB 3.32Å; Y263-D302 PolarHBondContact OH-OD2 3.22Å; D302-F330 HydrophobicContact CB-CD2 4.09Å
303	L	83.9	Confident	81.1	Confident	8 Å²	8	35.6 Å²	35.6	4%	0.042	17%	0.173	C	C	.	.			trans	-132.9	149	-166.6	-62.9	-179.8	0	0	0	110.7	V253 E255 W279 L301 I308 F311	V253-L303 HydrophobicContact CG1-CD1 4.18Å; V253-L303 HydrophobicContact CG1-CD2 4.19Å; E255-L303 HydrophobicContact CB-CD2 3.99Å; W279-L303 HydrophobicContact CB-CD2 3.54Å; W279-L303 HydrophobicContact CG-CD2 3.85Å; L301-L303 HydrophobicContact CB-CD1 4.34Å; L301-L303 HydrophobicContact CB-CG 4.44Å; L301-L303 HydrophobicContact CD2-CD1 4.35Å; L303-I308 HydrophobicContact CB-CD1 4.49Å; L303-I308 HydrophobicContact CB-CG1 3.72Å; L303-I308 WeakPolarHBondContact O-CD1 3.01Å; L303-F311 HydrophobicContact CD1-CB 4.16Å; L303-F311 HydrophobicContact CD1-CD2 4.35Å; L303-F311 HydrophobicContact CD1-CG 4.36Å
304	S	76.9	Confident	80.9	Confident	49 Å²	49	37.8 Å²	37.8	34%	0.343	18%	0.183	S	C	.	.			trans	-62.6	156.3	169.3	62.2	0	0	0	0	112.4	E255 K306 S307 I308	E255-S304 PolarHBondContact OE1-OG 3.03Å; E255-S304 WeakPolarHBondContact OE2-CB 3.48Å; E255-S304 PolarHBondContact OE2-N 3.15Å; E255-S304 PolarHBondContact OE2-OG 3.17Å; S304-K306 PolarHBondContact O-N 2.94Å; S304-K306 VanDerWaalsContact O-N 3.16Å; S304-S307 CarbonylContact O-C 3.54Å; S304-S307 WeakPolarHBondContact O-CA 3.5Å; S304-S307 PolarHBondContact O-N 3.21Å; S304-S307 WeakPolarHBondContact OG-CB 3.41Å; S304-S307 PolarHBondContact OG-N 3.08Å; S304-S307 PolarHBondContact OG-OG 3.37Å; S304-I308 WeakPolarHBondContact O-CG1 3.09Å; S304-I308 PolarHBondContact O-N 2.76Å
305	A	76.7	Confident	80.9	Confident	16 Å²	16	33.9 Å²	33.9	13%	0.132	17%	0.167	C	C	.	.	H	α-helix	trans	-53.8	-38.8	-179.6	0	0	0	0	0	113.3	I308 E309 S341	A305-I308 PolarHBondContact O-N 3.24Å; A305-E309 PolarHBondContact O-N 3.02Å; A305-E309 VanDerWaalsContact O-N 3.13Å; A305-S341 PolarHBondContact O-OG 3.48Å
306	K	74.9	Confident	80.7	Confident	139 Å²	139	30.9 Å²	30.9	60%	0.604	17%	0.166	S	C	*	.	H	α-helix	trans	-65.6	-44.3	175	-174.5	179.5	-179	179.2	0	112	S304 I308 E309 Q310	S304-K306 PolarHBondContact O-N 2.94Å; S304-K306 VanDerWaalsContact O-N 3.16Å; K306-I308 VanDerWaalsContact C-N 3.35Å; K306-E309 PolarHBondContact O-N 3.28Å; K306-Q310 WeakPolarHBondContact O-CG 3.49Å; K306-Q310 PolarHBondContact O-N 2.8Å; K306-Q310 VanDerWaalsContact O-N 3.12Å
307	S	83.5	Confident	79.8	Confident	8 Å²	8	36 Å²	36	6%	0.056	19%	0.193	C	C	.	.	H	α-helix	trans	-69.1	-32.2	177.9	-75.2	0	0	0	0	112.4	E255 S304 Q310 F311	E255-S307 PolarHBondContact OE1-OG 3.26Å; S304-S307 CarbonylContact O-C 3.54Å; S304-S307 WeakPolarHBondContact O-CA 3.5Å; S304-S307 PolarHBondContact O-N 3.21Å; S304-S307 WeakPolarHBondContact OG-CB 3.41Å; S304-S307 PolarHBondContact OG-N 3.08Å; S304-S307 PolarHBondContact OG-OG 3.37Å; S307-Q310 PolarHBondContact O-N 3.31Å; S307-F311 VanDerWaalsContact O-CB 3.3Å; S307-F311 WeakPolarHBondContact O-CB 3.38Å; S307-F311 PolarHBondContact O-N 2.79Å
308	I	83.7	Confident	79.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.5	-45.3	171.5	-69.8	169.3	0	0	0	110.8	L303 S304 A305 K306 Q310 F311 F312 I329 L338 L342	L303-I308 HydrophobicContact CB-CD1 4.49Å; L303-I308 HydrophobicContact CB-CG1 3.72Å; L303-I308 WeakPolarHBondContact O-CD1 3.01Å; S304-I308 WeakPolarHBondContact O-CG1 3.09Å; S304-I308 PolarHBondContact O-N 2.76Å; A305-I308 PolarHBondContact O-N 3.24Å; K306-I308 VanDerWaalsContact C-N 3.35Å; I308-Q310 PolarHBondContact O-N 3.4Å; I308-F311 WeakPolarHBondContact O-CB 3.25Å; I308-F311 PolarHBondContact O-N 3.45Å; I308-F312 HydrophobicContact CG2-CD2 3.66Å; I308-F312 HydrophobicContact CG2-CE2 3.62Å; I308-F312 VanDerWaalsContact O-CD2 3.27Å; I308-F312 WeakPolarHBondContact O-CD2 2.88Å; I308-F312 PolarHBondContact O-N 3.47Å; I308-I329 HydrophobicContact CD1-CG2 3.46Å; I308-I329 VanDerWaalsContact CD1-CG2 3.46Å; I308-I329 HydrophobicContact CG2-CD1 4.35Å; I308-L338 HydrophobicContact CD1-CD1 3.57Å; I308-L338 HydrophobicContact CG2-CD1 4.28Å; I308-L342 HydrophobicContact CG2-CD2 3.89Å
309	E	80	Confident	77.7	Confident	65 Å²	65	44.1 Å²	44.1	30%	0.304	23%	0.231	S	C	.	.	H	α-helix	trans	-60.2	-47	176.4	-170	179.1	172.2	0	0	111.1	A305 K306 F311 F312 Q313	A305-E309 PolarHBondContact O-N 3.02Å; A305-E309 VanDerWaalsContact O-N 3.13Å; K306-E309 PolarHBondContact O-N 3.28Å; E309-F311 VanDerWaalsContact C-N 3.35Å; E309-F311 PolarHBondContact O-N 3.46Å; E309-F312 PolarHBondContact O-N 3.43Å; E309-Q313 WeakPolarHBondContact O-CB 3.39Å; E309-Q313 VanDerWaalsContact O-CG 3.26Å; E309-Q313 WeakPolarHBondContact O-CG 3.4Å; E309-Q313 PolarHBondContact O-N 2.87Å; E309-Q313 PolarHBondContact OE1-NE2 2.96Å
310	Q	81.7	Confident	76	Confident	58 Å²	58	45.7 Å²	45.7	27%	0.271	24%	0.241	S	C	.	.	H	α-helix	trans	-61	-42.1	175.8	-69.7	-177.9	3.9	0	0	112.3	K306 S307 I308 F312 Q313 M314	K306-Q310 WeakPolarHBondContact O-CG 3.49Å; K306-Q310 PolarHBondContact O-N 2.8Å; K306-Q310 VanDerWaalsContact O-N 3.12Å; S307-Q310 PolarHBondContact O-N 3.31Å; I308-Q310 PolarHBondContact O-N 3.4Å; Q310-F312 PolarHBondContact O-N 2.04Å; Q310-Q313 PolarHBondContact O-N 3.48Å; Q310-M314 VanDerWaalsContact O-CG 3.3Å; Q310-M314 WeakPolarHBondContact O-CG 3.41Å; Q310-M314 PolarHBondContact O-N 3.32Å
311	F	85.9	Confident	74.1	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.6	-49.1	178.2	176.6	-89.4	0	0	0	111.3	V253 W279 I290 I293 F299 L301 L303 S307 I308 E309 M314 M315 Y327	V253-F311 HydrophobicContact CG2-CE2 4.17Å; W279-F311 HydrophobicContact CE3-CD2 4.32Å; W279-F311 HydrophobicContact CH2-CB 4.19Å; W279-F311 AromaticContact CH2-CD2 3.77Å; W279-F311 HydrophobicContact CH2-CD2 3.77Å; W279-F311 HydrophobicContact CH2-CG 4.44Å; W279-F311 HydrophobicContact CZ2-CB 4.12Å; W279-F311 HydrophobicContact CZ2-CD2 4.44Å; W279-F311 AromaticContact CZ3-CD2 3.7Å; W279-F311 HydrophobicContact CZ3-CD2 3.7Å; W279-F311 HydrophobicContact CZ3-CE2 4.34Å; I290-F311 HydrophobicContact CD1-CD2 3.72Å; I290-F311 HydrophobicContact CD1-CE2 3.53Å; I290-F311 HydrophobicContact CD1-CZ 4.25Å; I293-F311 HydrophobicContact CD1-CE2 3.76Å; I293-F311 HydrophobicContact CD1-CZ 4.06Å; F299-F311 HydrophobicContact CD1-CZ 4.41Å; L301-F311 HydrophobicContact CD1-CD1 3.69Å; L301-F311 HydrophobicContact CD1-CE1 3.68Å; L301-F311 HydrophobicContact CD1-CG 4.4Å; L301-F311 HydrophobicContact CD1-CZ 4.38Å; L301-F311 HydrophobicContact CD2-CD1 4.18Å; L301-F311 HydrophobicContact CD2-CD2 4.22Å; L301-F311 HydrophobicContact CD2-CE1 3.8Å; L301-F311 HydrophobicContact CD2-CE2 3.83Å; L301-F311 HydrophobicContact CD2-CG 4.39Å; L301-F311 HydrophobicContact CD2-CZ 3.63Å; L301-F311 HydrophobicContact CG-CE1 4.39Å; L303-F311 HydrophobicContact CD1-CB 4.16Å; L303-F311 HydrophobicContact CD1-CD2 4.35Å; L303-F311 HydrophobicContact CD1-CG 4.36Å; S307-F311 VanDerWaalsContact O-CB 3.3Å; S307-F311 WeakPolarHBondContact O-CB 3.38Å; S307-F311 PolarHBondContact O-N 2.79Å; I308-F311 WeakPolarHBondContact O-CB 3.25Å; I308-F311 PolarHBondContact O-N 3.45Å; E309-F311 VanDerWaalsContact C-N 3.35Å; E309-F311 PolarHBondContact O-N 3.46Å; F311-M314 PolarHBondContact O-N 2.9Å; F311-M315 HydrophobicContact CD1-CG 4.12Å; F311-M315 HydrophobicContact CE1-CG 3.64Å; F311-M315 HydrophobicContact CE2-CG 4.38Å; F311-M315 HydrophobicContact CZ-CG 3.78Å; F311-M315 HydrophobicContact CZ-SD 4.26Å; F311-M315 WeakPolarHBondContact O-CG 3.1Å; F311-M315 PolarHBondContact O-N 3.19Å; F311-Y327 HydrophobicContact CE1-CD1 4.41Å; F311-Y327 HydrophobicContact CE1-CE1 4.1Å
312	F	82.6	Confident	72.4	Confident	20 Å²	20	50.9 Å²	50.9	9%	0.088	27%	0.271	C	S	.	.	H	α-helix	trans	-70.6	-33.5	180	-77.4	-62.8	0	0	0	113.3	L301 I308 E309 Q310 M315 G316 Y327 I329 L342 V345	L301-F312 HydrophobicContact CD1-CE2 4.17Å; L301-F312 HydrophobicContact CD1-CZ 4Å; I308-F312 HydrophobicContact CG2-CD2 3.66Å; I308-F312 HydrophobicContact CG2-CE2 3.62Å; I308-F312 VanDerWaalsContact O-CD2 3.27Å; I308-F312 WeakPolarHBondContact O-CD2 2.88Å; I308-F312 PolarHBondContact O-N 3.47Å; E309-F312 PolarHBondContact O-N 3.43Å; Q310-F312 PolarHBondContact O-N 2.04Å; F312-M315 PolarHBondContact O-N 3.44Å; F312-G316 PolarHBondContact O-N 3Å; F312-Y327 AromaticContact CE1-CD1 3.62Å; F312-Y327 HydrophobicContact CE1-CD1 3.62Å; F312-Y327 HydrophobicContact CE1-CD2 4.07Å; F312-Y327 AromaticContact CE1-CE1 3.6Å; F312-Y327 HydrophobicContact CE1-CE1 3.6Å; F312-Y327 HydrophobicContact CE1-CE2 4.03Å; F312-Y327 AromaticContact CE1-CG 3.86Å; F312-Y327 HydrophobicContact CE1-CG 3.86Å; F312-Y327 AromaticContact CE1-CZ 3.8Å; F312-Y327 AromaticContact CZ-CD1 3.82Å; F312-Y327 HydrophobicContact CZ-CD1 3.82Å; F312-Y327 HydrophobicContact CZ-CD2 4.37Å; F312-Y327 HydrophobicContact CZ-CE1 4.27Å; F312-Y327 AromaticContact CZ-CG 3.87Å; F312-Y327 HydrophobicContact CZ-CG 3.87Å; F312-I329 HydrophobicContact CE2-CD1 4.06Å; F312-I329 HydrophobicContact CZ-CD1 4.35Å; F312-L342 HydrophobicContact CD2-CD2 4.12Å; F312-L342 HydrophobicContact CE2-CD2 3.68Å; F312-V345 HydrophobicContact CB-CG1 4.38Å; F312-V345 HydrophobicContact CB-CG2 3.75Å; F312-V345 HydrophobicContact CD1-CB 4.46Å; F312-V345 HydrophobicContact CD1-CG1 3.36Å; F312-V345 HydrophobicContact CD1-CG2 4.22Å; F312-V345 HydrophobicContact CD2-CB 4.41Å; F312-V345 HydrophobicContact CD2-CG1 3.96Å; F312-V345 HydrophobicContact CD2-CG2 3.6Å; F312-V345 HydrophobicContact CE1-CG1 3.42Å; F312-V345 VanDerWaalsContact CE1-CG1 3.42Å; F312-V345 HydrophobicContact CE2-CG1 4Å; F312-V345 HydrophobicContact CE2-CG2 4.22Å; F312-V345 HydrophobicContact CG-CB 4.31Å; F312-V345 HydrophobicContact CG-CG1 3.64Å; F312-V345 HydrophobicContact CG-CG2 3.6Å; F312-V345 HydrophobicContact CZ-CG1 3.75Å
313	Q	78.2	Confident	70.8	Confident	99 Å²	99	54.5 Å²	54.5	46%	0.463	29%	0.29	S	S	.	.	H	α-helix	trans	-58.3	-49.9	170.4	-74.3	173.5	1.6	0	0	110.5	E309 Q310 M315 G316 D317	E309-Q313 WeakPolarHBondContact O-CB 3.39Å; E309-Q313 VanDerWaalsContact O-CG 3.26Å; E309-Q313 WeakPolarHBondContact O-CG 3.4Å; E309-Q313 PolarHBondContact O-N 2.87Å; E309-Q313 PolarHBondContact OE1-NE2 2.96Å; Q310-Q313 PolarHBondContact O-N 3.48Å; Q313-M315 PolarHBondContact O-N 3.47Å; Q313-G316 PolarHBondContact O-N 3.06Å; Q313-D317 VanDerWaalsContact O-CG 3.28Å; Q313-D317 PolarHBondContact O-N 3.25Å
314	M	77.2	Confident	69.4	Low	45 Å²	45	58.1 Å²	58.1	22%	0.222	30%	0.304	C	S	.	.	H	α-helix	trans	-68.4	-33.4	-180	-64.4	-177.8	78.1	0	0	113.6	W279 K286 A287 I290 Q310 F311 Q318	W279-M314 HydrophobicContact CH2-SD 4.02Å; W279-M314 HydrophobicContact CZ2-SD 4.15Å; K286-M314 HydrophobicContact CB-CE 3.67Å; K286-M314 HydrophobicContact CB-SD 3.72Å; K286-M314 HydrophobicContact CD-SD 4.3Å; A287-M314 HydrophobicContact CB-CE 4.01Å; I290-M314 HydrophobicContact CG1-CB 3.98Å; Q310-M314 VanDerWaalsContact O-CG 3.3Å; Q310-M314 WeakPolarHBondContact O-CG 3.41Å; Q310-M314 PolarHBondContact O-N 3.32Å; F311-M314 PolarHBondContact O-N 2.9Å; M314-Q318 WeakPolarHBondContact O-CG 3.33Å; M314-Q318 PolarHBondContact O-N 3.43Å
315	M	76.2	Confident	68.9	Low	5 Å²	5	56 Å²	56	3%	0.025	29%	0.29	C	S	.	.	H	α-helix	trans	-68.4	-39	172.9	-77.6	-68.6	-74.8	0	0	111.9	I290 F299 F311 F312 Q313 Q318 V320	I290-M315 HydrophobicContact CD1-CG 3.94Å; I290-M315 HydrophobicContact CD1-SD 3.94Å; I290-M315 HydrophobicContact CG2-SD 3.82Å; F299-M315 HydrophobicContact CE1-CE 4.26Å; F299-M315 HydrophobicContact CE2-CE 4.41Å; F299-M315 HydrophobicContact CZ-CE 3.99Å; F311-M315 HydrophobicContact CD1-CG 4.12Å; F311-M315 HydrophobicContact CE1-CG 3.64Å; F311-M315 HydrophobicContact CE2-CG 4.38Å; F311-M315 HydrophobicContact CZ-CG 3.78Å; F311-M315 HydrophobicContact CZ-SD 4.26Å; F311-M315 WeakPolarHBondContact O-CG 3.1Å; F311-M315 PolarHBondContact O-N 3.19Å; F312-M315 PolarHBondContact O-N 3.44Å; Q313-M315 PolarHBondContact O-N 3.47Å; M315-Q318 PolarHBondContact O-N 3.45Å; M315-V320 HydrophobicContact CE-CB 3.92Å; M315-V320 HydrophobicContact CE-CG1 3.83Å; M315-V320 HydrophobicContact CE-CG2 3.81Å; M315-V320 HydrophobicContact SD-CG2 4.27Å
316	G	68.2	Low	68.9	Low	49 Å²	49	58.2 Å²	58.2	51%	0.505	30%	0.297	S	S	.	.	H	α-helix	trans	-62.8	-43	175.2	0	0	0	0	0	112.2	F312 Q313 Q318 E319	F312-G316 PolarHBondContact O-N 3Å; Q313-G316 PolarHBondContact O-N 3.06Å; G316-Q318 PolarHBondContact O-N 3.47Å; G316-E319 PolarHBondContact O-N 3.33Å
317	D	59.4	Low	69.3	Low	127 Å²	127	51.9 Å²	51.9	68%	0.679	27%	0.269	S	S	*	.	H	α-helix	trans	-63.1	-23.1	177	-69.3	-17.9	0	0	0	113.2	Q313 E319	Q313-D317 VanDerWaalsContact O-CG 3.28Å; Q313-D317 PolarHBondContact O-N 3.25Å; D317-E319 VanDerWaalsContact C-N 3.32Å
318	Q	58.9	Low	69.5	Low	95 Å²	95	52 Å²	52	44%	0.444	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	6.7	176.5	-67.4	-68.1	-52.1	0	0	113.4	I290 M314 M315 G316 V320	I290-Q318 HydrophobicContact CG2-CB 4.44Å; I290-Q318 HydrophobicContact CG2-CG 3.76Å; M314-Q318 WeakPolarHBondContact O-CG 3.33Å; M314-Q318 PolarHBondContact O-N 3.43Å; M315-Q318 PolarHBondContact O-N 3.45Å; G316-Q318 PolarHBondContact O-N 3.47Å; Q318-V320 HydrophobicContact CB-CG2 4.25Å; Q318-V320 PolarHBondContact O-N 2.73Å
319	E	52.7	Low	69.6	Low	122 Å²	122	52 Å²	52	57%	0.57	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	31.2	-179.3	-56.2	-174.5	179.6	0	0	114.1	G316 D317 N321 K580	G316-E319 PolarHBondContact O-N 3.33Å; D317-E319 VanDerWaalsContact C-N 3.32Å; E319-N321 PolarHBondContact O-N 2.79Å; E319-K580 PolarHBondContact O-NZ 3.36Å; E319-K580 IonicContact OE2-NZ 2.77Å
320	V	50.8	Low	69.7	Low	33 Å²	33	49.4 Å²	49.4	20%	0.2	26%	0.256	C	S	.	.			trans	-66.4	127.1	174.8	-176.8	0	0	0	0	108.4	K294 M315 Q318 P322	K294-V320 HydrophobicContact CB-CG2 3.84Å; M315-V320 HydrophobicContact CE-CB 3.92Å; M315-V320 HydrophobicContact CE-CG1 3.83Å; M315-V320 HydrophobicContact CE-CG2 3.81Å; M315-V320 HydrophobicContact SD-CG2 4.27Å; Q318-V320 HydrophobicContact CB-CG2 4.25Å; Q318-V320 PolarHBondContact O-N 2.73Å; V320-P322 WeakPolarHBondContact O-CD 3.21Å; V320-P322 VanDerWaalsContact O-N 3.1Å
321	N	50	Low	69.3	Low	73 Å²	73	47.1 Å²	47.1	39%	0.39	25%	0.246	S	C	.	.			trans	-69.6	108.4	-177.2	-168.5	-18.3	0	0	0	109.6	E319 N323 Y324	E319-N321 PolarHBondContact O-N 2.79Å; N321-N323 PolarHBondContact O-N 3.13Å; N321-N323 VanDerWaalsContact O-N 3.08Å; N321-N323 PolarHBondContact OD1-N 3.03Å; N321-Y324 HydrophobicContact CB-CD2 4.1Å; N321-Y324 HydrophobicContact CB-CE2 4.47Å; N321-Y324 WeakPolarHBondContact ND2-CE2 3.36Å
322	P	52.2	Low	68.6	Low	36 Å²	36	49.2 Å²	49.2	23%	0.234	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-20.4	-169.6	20.7	-29.2	0	0	0	113.9	V320 Y324 K346 G347	V320-P322 WeakPolarHBondContact O-CD 3.21Å; V320-P322 VanDerWaalsContact O-N 3.1Å; P322-Y324 PolarHBondContact O-N 2.74Å; P322-K346 HydrophobicContact CB-CB 4Å; P322-K346 WeakPolarHBondContact CB-O 3.34Å; P322-K346 HydrophobicContact CG-CB 3.79Å; P322-G347 WeakPolarHBondContact O-CA 3.41Å
323	N	53	Low	67.9	Low	97 Å²	97	49.2 Å²	49.2	52%	0.519	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-12.3	-171.5	-69.3	-16.5	0	0	0	114.3	N321	N321-N323 PolarHBondContact O-N 3.13Å; N321-N323 VanDerWaalsContact O-N 3.08Å; N321-N323 PolarHBondContact OD1-N 3.03Å
324	Y	55.6	Low	67.6	Low	85 Å²	85	46.3 Å²	46.3	33%	0.333	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-19.6	-177.3	-59.2	-72.4	0	0	0	113.3	N321 P322	N321-Y324 HydrophobicContact CB-CD2 4.1Å; N321-Y324 HydrophobicContact CB-CE2 4.47Å; N321-Y324 WeakPolarHBondContact ND2-CE2 3.36Å; P322-Y324 PolarHBondContact O-N 2.74Å
325	A	66.3	Low	67.5	Low	5 Å²	5	45 Å²	45	4%	0.041	25%	0.248	C	C	.	.			trans	-81.9	131.3	179.1	0	0	0	0	0	111.1	E297 F299 Y327	E297-A325 WeakPolarHBondContact O-CA 3.47Å; F299-A325 HydrophobicContact CD2-CB 3.98Å; F299-A325 HydrophobicContact CE2-CB 3.66Å; A325-Y327 HydrophobicContact CB-CD2 4.32Å; A325-Y327 HydrophobicContact CB-CE1 4.29Å; A325-Y327 HydrophobicContact CB-CE2 3.52Å; A325-Y327 VanDerWaalsContact CB-CZ 3.5Å; A325-Y327 WeakPolarHBondContact CB-OH 3.29Å
326	Q	76.3	Confident	67.4	Low	62 Å²	62	51.1 Å²	51.1	29%	0.29	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	120.5	170.4	-62.6	-174.8	5.8	0	0	109	E297 A298 F299 F328	E297-Q326 PolarHBondContact O-N 3.46Å; A298-Q326 WeakPolarHBondContact CA-O 3.17Å; F299-Q326 PolarHBondContact N-O 3.1Å; Q326-F328 HydrophobicContact CB-CE2 3.91Å
327	Y	84	Confident	67.6	Low	6 Å²	6	51.6 Å²	51.6	2%	0.024	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	117.2	179.6	-60.2	-82.7	0	0	0	109.5	F299 L301 F311 F312 A325 N348 I349 A350	F299-Y327 HydrophobicContact CB-CD1 3.79Å; F299-Y327 HydrophobicContact CB-CE1 4.14Å; F299-Y327 AromaticContact CD2-CD1 3.97Å; F299-Y327 HydrophobicContact CD2-CD1 3.97Å; F299-Y327 AromaticContact CD2-CE1 3.62Å; F299-Y327 HydrophobicContact CD2-CE1 3.62Å; F299-Y327 HydrophobicContact CE2-CE1 4.28Å; F299-Y327 HydrophobicContact CG-CD1 4.13Å; F299-Y327 AromaticContact CG-CE1 3.97Å; F299-Y327 HydrophobicContact CG-CE1 3.97Å; F299-Y327 WeakPolarHBondContact O-CA 3.35Å; L301-Y327 HydrophobicContact CD1-CD1 4.29Å; F311-Y327 HydrophobicContact CE1-CD1 4.41Å; F311-Y327 HydrophobicContact CE1-CE1 4.1Å; F312-Y327 AromaticContact CE1-CD1 3.62Å; F312-Y327 HydrophobicContact CE1-CD1 3.62Å; F312-Y327 HydrophobicContact CE1-CD2 4.07Å; F312-Y327 AromaticContact CE1-CE1 3.6Å; F312-Y327 HydrophobicContact CE1-CE1 3.6Å; F312-Y327 HydrophobicContact CE1-CE2 4.03Å; F312-Y327 AromaticContact CE1-CG 3.86Å; F312-Y327 HydrophobicContact CE1-CG 3.86Å; F312-Y327 AromaticContact CE1-CZ 3.8Å; F312-Y327 AromaticContact CZ-CD1 3.82Å; F312-Y327 HydrophobicContact CZ-CD1 3.82Å; F312-Y327 HydrophobicContact CZ-CD2 4.37Å; F312-Y327 HydrophobicContact CZ-CE1 4.27Å; F312-Y327 AromaticContact CZ-CG 3.87Å; F312-Y327 HydrophobicContact CZ-CG 3.87Å; A325-Y327 HydrophobicContact CB-CD2 4.32Å; A325-Y327 HydrophobicContact CB-CE1 4.29Å; A325-Y327 HydrophobicContact CB-CE2 3.52Å; A325-Y327 VanDerWaalsContact CB-CZ 3.5Å; A325-Y327 WeakPolarHBondContact CB-OH 3.29Å; Y327-N348 PolarHBondContact N-O 3.24Å; Y327-I349 HydrophobicContact CD2-CG1 4.37Å; Y327-I349 CarbonylContact O-C 3.59Å; Y327-I349 WeakPolarHBondContact O-CA 3.45Å; Y327-A350 PolarHBondContact O-N 2.68Å
328	F	86.1	Confident	68.4	Low	11 Å²	11	45.6 Å²	45.6	5%	0.048	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	111.5	173.2	-65.3	-88.2	0	0	0	108.4	L239 W247 F299 F300 L301 Q326 A350 L461	L239-F328 HydrophobicContact CD1-CD1 3.95Å; L239-F328 HydrophobicContact CD1-CE1 3.93Å; L239-F328 HydrophobicContact CD2-CE1 4.45Å; W247-F328 AromaticContact CH2-CE2 3.67Å; W247-F328 HydrophobicContact CH2-CE2 3.67Å; W247-F328 AromaticContact CH2-CZ 4Å; W247-F328 HydrophobicContact CH2-CZ 4Å; W247-F328 AromaticContact CZ2-CE2 3.66Å; W247-F328 HydrophobicContact CZ2-CE2 3.66Å; W247-F328 AromaticContact CZ2-CZ 3.98Å; W247-F328 HydrophobicContact CZ2-CZ 3.98Å; F299-F328 PolarHBondContact O-N 2.64Å; F300-F328 CarbonylContact C-O 3.46Å; F300-F328 WeakPolarHBondContact CA-O 3.24Å; F300-F328 HydrophobicContact CD1-CB 3.36Å; F300-F328 AromaticContact CD1-CD2 3.96Å; F300-F328 HydrophobicContact CD1-CD2 3.96Å; F300-F328 AromaticContact CD1-CG 3.82Å; F300-F328 HydrophobicContact CD1-CG 3.82Å; F300-F328 HydrophobicContact CE1-CB 3.57Å; F300-F328 HydrophobicContact CE1-CD1 4.19Å; F300-F328 AromaticContact CE1-CD2 3.43Å; F300-F328 HydrophobicContact CE1-CD2 3.43Å; F300-F328 VanDerWaalsContact CE1-CD2 3.43Å; F300-F328 HydrophobicContact CE1-CE2 4.15Å; F300-F328 AromaticContact CE1-CG 3.46Å; F300-F328 HydrophobicContact CE1-CG 3.46Å; F300-F328 VanDerWaalsContact CE1-CG 3.46Å; F300-F328 HydrophobicContact CE2-CD2 4.49Å; F300-F328 HydrophobicContact CG-CB 4.29Å; F300-F328 AromaticContact CZ-CD2 3.75Å; F300-F328 HydrophobicContact CZ-CD2 3.75Å; F300-F328 HydrophobicContact CZ-CE2 4.13Å; F300-F328 HydrophobicContact CZ-CG 4.24Å; L301-F328 PolarHBondContact N-O 3.36Å; Q326-F328 HydrophobicContact CB-CE2 3.91Å; F328-A350 CarbonylContact C-O 3.54Å; F328-A350 VanDerWaalsContact CA-O 3.27Å; F328-A350 WeakPolarHBondContact CA-O 3.4Å; F328-A350 HydrophobicContact CD1-CB 3.7Å; F328-A350 HydrophobicContact CE1-CB 3.84Å; F328-L461 HydrophobicContact CD1-CD1 4.28Å; F328-L461 HydrophobicContact CE1-CD1 4.37Å
329	I	85.6	Confident	69.3	Low	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	117.5	-176.2	-57.3	179.7	0	0	0	108.6	L301 I308 F312 N331 L338 L342 I349 A350 L351 V352	L301-I329 HydrophobicContact CB-CG1 4.4Å; L301-I329 HydrophobicContact CD1-CG1 4.27Å; I308-I329 HydrophobicContact CD1-CG2 3.46Å; I308-I329 VanDerWaalsContact CD1-CG2 3.46Å; I308-I329 HydrophobicContact CG2-CD1 4.35Å; F312-I329 HydrophobicContact CE2-CD1 4.06Å; F312-I329 HydrophobicContact CZ-CD1 4.35Å; I329-N331 HydrophobicContact CG2-CB 4.31Å; I329-L338 HydrophobicContact CG2-CD1 4.47Å; I329-L338 HydrophobicContact CG2-CD2 4.42Å; I329-L342 HydrophobicContact CD1-CD1 4.04Å; I329-L342 HydrophobicContact CD1-CD2 3.83Å; I329-I349 HydrophobicContact CD1-CG2 3.62Å; I329-I349 HydrophobicContact CG1-CG2 4.16Å; I329-A350 PolarHBondContact N-O 2.82Å; I329-L351 HydrophobicContact CB-CD2 3.8Å; I329-L351 HydrophobicContact CD1-CD2 4.13Å; I329-L351 HydrophobicContact CG1-CD2 4.37Å; I329-L351 HydrophobicContact CG2-CD2 4.29Å; I329-V352 PolarHBondContact O-N 3.32Å
330	F	82	Confident	70.3	Confident	9 Å²	9	42.9 Å²	42.9	4%	0.039	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	118.4	166.6	-55.9	-69.6	0	0	0	107.5	V232 F300 L301 D302 V352	V232-F330 HydrophobicContact CG1-CD1 3.45Å; V232-F330 VanDerWaalsContact CG1-CD1 3.45Å; V232-F330 HydrophobicContact CG1-CD2 4.43Å; V232-F330 HydrophobicContact CG1-CE1 3.32Å; V232-F330 HydrophobicContact CG1-CE2 4.28Å; V232-F330 HydrophobicContact CG1-CG 4.04Å; V232-F330 HydrophobicContact CG1-CZ 3.76Å; F300-F330 HydrophobicContact CB-CE2 4.06Å; F300-F330 HydrophobicContact CD1-CE2 4.1Å; F300-F330 HydrophobicContact CD1-CZ 4.04Å; L301-F330 PolarHBondContact O-N 3.3Å; D302-F330 HydrophobicContact CB-CD2 4.09Å; F330-V352 HydrophobicContact CD1-CB 3.56Å; F330-V352 HydrophobicContact CD1-CG1 3.68Å; F330-V352 HydrophobicContact CD1-CG2 4.1Å; F330-V352 HydrophobicContact CE1-CB 3.76Å; F330-V352 HydrophobicContact CE1-CG1 3.74Å; F330-V352 HydrophobicContact CE1-CG2 3.82Å
331	N	75.1	Confident	71.4	Confident	10 Å²	10	42.1 Å²	42.1	5%	0.053	23%	0.227	C	C	.	.			trans	-135.2	113.2	-178.9	178.3	46.7	0	0	0	111.7	I329 G333 L338	I329-N331 HydrophobicContact CG2-CB 4.31Å; N331-G333 PolarHBondContact ND2-O 3.44Å; N331-G333 WeakPolarHBondContact OD1-CA 3.23Å; N331-G333 PolarHBondContact OD1-N 3Å; N331-L338 HydrophobicContact CB-CD2 3.79Å; N331-L338 WeakPolarHBondContact ND2-CD2 3.18Å
332	D	69.8	Low	72.6	Confident	44 Å²	44	38.9 Å²	38.9	24%	0.235	21%	0.209	C	C	.	.			trans	-91	-8.3	172.6	-65.4	-16.4	0	0	0	112.4	L368	D332-L368 HydrophobicContact CB-CB 4.09Å; D332-L368 HydrophobicContact CB-CD2 3.9Å; D332-L368 WeakPolarHBondContact O-CB 3.31Å; D332-L368 PolarHBondContact O-N 3.22Å; D332-L368 WeakPolarHBondContact OD1-CD2 3.44Å
333	G	69.4	Low	73.4	Confident	20 Å²	20	44.5 Å²	44.5	21%	0.206	23%	0.233	C	C	.	.	S	Bend	trans	-79.4	-177.2	-178.8	0	0	0	0	0	114.7	N331 L335	N331-G333 PolarHBondContact ND2-O 3.44Å; N331-G333 WeakPolarHBondContact OD1-CA 3.23Å; N331-G333 PolarHBondContact OD1-N 3Å; G333-L335 PolarHBondContact O-N 3.49Å
334	S	70.6	Confident	74	Confident	39 Å²	39	49.9 Å²	49.9	27%	0.273	25%	0.246	S	C	.	.			trans	-62.2	133.7	171.9	167.5	0	0	0	0	110.6	E336 S337 L338	S334-E336 PolarHBondContact O-N 3.46Å; S334-E336 PolarHBondContact OG-N 2.92Å; S334-S337 PolarHBondContact O-N 2.97Å; S334-L338 PolarHBondContact O-N 3.32Å
335	L	75.5	Confident	74.5	Confident	18 Å²	18	47.2 Å²	47.2	9%	0.094	24%	0.238	C	C	.	.	H	α-helix	trans	-64	-34.5	178	-174.4	62.9	0	0	0	111.3	G333 L338 M339 L351 S365 L469	G333-L335 PolarHBondContact O-N 3.49Å; L335-L338 PolarHBondContact O-N 3.39Å; L335-M339 HydrophobicContact CD1-CG 4.44Å; L335-M339 HydrophobicContact CG-CG 4.29Å; L335-M339 HydrophobicContact CG-SD 4.05Å; L335-M339 WeakPolarHBondContact O-CB 3.44Å; L335-M339 VanDerWaalsContact O-CG 3.24Å; L335-M339 WeakPolarHBondContact O-CG 3.42Å; L335-M339 PolarHBondContact O-N 2.9Å; L335-L351 HydrophobicContact CD1-CD1 4.06Å; L335-S365 PolarHBondContact N-O 3.41Å; L335-L469 HydrophobicContact CD1-CD1 3.95Å; L335-L469 HydrophobicContact CD2-CD1 3.6Å; L335-L469 HydrophobicContact CG-CD1 4.06Å
336	E	74.3	Confident	74.3	Confident	133 Å²	133	54.6 Å²	54.6	62%	0.621	27%	0.269	S	S	*	.	H	α-helix	trans	-63.9	-45.4	180	-172	179.7	-178.6	0	0	111.7	S334 L338 M339 N340	S334-E336 PolarHBondContact O-N 3.46Å; S334-E336 PolarHBondContact OG-N 2.92Å; E336-L338 VanDerWaalsContact C-N 3.33Å; E336-L338 PolarHBondContact O-N 3.46Å; E336-M339 PolarHBondContact O-N 3.15Å; E336-N340 PolarHBondContact O-N 3.32Å; E336-N340 PolarHBondContact O-ND2 3.06Å
337	S	72	Confident	73.7	Confident	59 Å²	59	52.6 Å²	52.6	41%	0.413	27%	0.265	S	S	.	.	H	α-helix	trans	-62.4	-42.4	176.6	178.4	0	0	0	0	111.4	S334 N340 S341	S334-S337 PolarHBondContact O-N 2.97Å; S337-N340 PolarHBondContact O-N 3.49Å; S337-S341 PolarHBondContact O-N 3.33Å; S337-S341 PolarHBondContact O-OG 3.14Å
338	L	76.8	Confident	73.2	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-66.1	-43.9	177.3	-179.8	66.2	0	0	0	111.6	I308 I329 N331 S334 L335 E336 N340 S341 L342 L351	I308-L338 HydrophobicContact CD1-CD1 3.57Å; I308-L338 HydrophobicContact CG2-CD1 4.28Å; I329-L338 HydrophobicContact CG2-CD1 4.47Å; I329-L338 HydrophobicContact CG2-CD2 4.42Å; N331-L338 HydrophobicContact CB-CD2 3.79Å; N331-L338 WeakPolarHBondContact ND2-CD2 3.18Å; S334-L338 PolarHBondContact O-N 3.32Å; L335-L338 PolarHBondContact O-N 3.39Å; E336-L338 VanDerWaalsContact C-N 3.33Å; E336-L338 PolarHBondContact O-N 3.46Å; L338-N340 VanDerWaalsContact C-N 3.27Å; L338-N340 PolarHBondContact O-N 3.33Å; L338-S341 PolarHBondContact O-N 3.39Å; L338-S341 VanDerWaalsContact O-N 3.1Å; L338-L342 HydrophobicContact CD1-CD1 3.93Å; L338-L342 HydrophobicContact CD1-CD2 4.49Å; L338-L342 HydrophobicContact CD1-CG 3.97Å; L338-L342 HydrophobicContact CD2-CD1 4.06Å; L338-L342 HydrophobicContact CG-CD1 3.69Å; L338-L342 HydrophobicContact CG-CG 4.08Å; L338-L342 WeakPolarHBondContact O-CB 3.43Å; L338-L342 WeakPolarHBondContact O-CG 3.33Å; L338-L342 PolarHBondContact O-N 3.13Å; L338-L351 HydrophobicContact CD2-CD1 4.13Å; L338-L351 HydrophobicContact CD2-CD2 3.69Å
339	M	77.8	Confident	72.9	Confident	66 Å²	66	55.4 Å²	55.4	33%	0.325	28%	0.281	S	S	.	.	H	α-helix	trans	-59.2	-40.3	178.9	-77.4	-179	69.1	0	0	111.4	L335 E336 S341 L342 Q343 L469	L335-M339 HydrophobicContact CD1-CG 4.44Å; L335-M339 HydrophobicContact CG-CG 4.29Å; L335-M339 HydrophobicContact CG-SD 4.05Å; L335-M339 WeakPolarHBondContact O-CB 3.44Å; L335-M339 VanDerWaalsContact O-CG 3.24Å; L335-M339 WeakPolarHBondContact O-CG 3.42Å; L335-M339 PolarHBondContact O-N 2.9Å; E336-M339 PolarHBondContact O-N 3.15Å; M339-S341 VanDerWaalsContact C-N 3.34Å; M339-S341 PolarHBondContact O-N 2.99Å; M339-L342 PolarHBondContact O-N 3.4Å; M339-Q343 WeakPolarHBondContact O-CG 3.35Å; M339-Q343 PolarHBondContact O-N 3.27Å; M339-L469 HydrophobicContact SD-CD1 3.9Å
340	N	74	Confident	73	Confident	94 Å²	94	55.9 Å²	55.9	50%	0.503	29%	0.285	S	S	.	.	H	α-helix	trans	-61.2	-41.2	175	-71.2	-22	0	0	0	112.2	E336 S337 L338	E336-N340 PolarHBondContact O-N 3.32Å; E336-N340 PolarHBondContact O-ND2 3.06Å; S337-N340 PolarHBondContact O-N 3.49Å; L338-N340 VanDerWaalsContact C-N 3.27Å; L338-N340 PolarHBondContact O-N 3.33Å
341	S	72.4	Confident	73.1	Confident	17 Å²	17	55.5 Å²	55.5	12%	0.119	28%	0.283	C	S	.	.	H	α-helix	trans	-69.7	-30.8	175.1	-61	0	0	0	0	113.1	A305 S337 L338 M339	A305-S341 PolarHBondContact O-OG 3.48Å; S337-S341 PolarHBondContact O-N 3.33Å; S337-S341 PolarHBondContact O-OG 3.14Å; L338-S341 PolarHBondContact O-N 3.39Å; L338-S341 VanDerWaalsContact O-N 3.1Å; M339-S341 VanDerWaalsContact C-N 3.34Å; M339-S341 PolarHBondContact O-N 2.99Å
342	L	75.8	Confident	73.6	Confident	5 Å²	5	55.2 Å²	55.2	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-88.1	-12.8	-177.4	-66.5	-178.1	0	0	0	114.8	I308 F312 I329 L338 M339 R344 V345 I349 L351 L464	I308-L342 HydrophobicContact CG2-CD2 3.89Å; F312-L342 HydrophobicContact CD2-CD2 4.12Å; F312-L342 HydrophobicContact CE2-CD2 3.68Å; I329-L342 HydrophobicContact CD1-CD1 4.04Å; I329-L342 HydrophobicContact CD1-CD2 3.83Å; L338-L342 HydrophobicContact CD1-CD1 3.93Å; L338-L342 HydrophobicContact CD1-CD2 4.49Å; L338-L342 HydrophobicContact CD1-CG 3.97Å; L338-L342 HydrophobicContact CD2-CD1 4.06Å; L338-L342 HydrophobicContact CG-CD1 3.69Å; L338-L342 HydrophobicContact CG-CG 4.08Å; L338-L342 WeakPolarHBondContact O-CB 3.43Å; L338-L342 WeakPolarHBondContact O-CG 3.33Å; L338-L342 PolarHBondContact O-N 3.13Å; M339-L342 PolarHBondContact O-N 3.4Å; L342-R344 PolarHBondContact O-N 3.42Å; L342-V345 HydrophobicContact CD2-CB 4.43Å; L342-V345 HydrophobicContact CD2-CG2 4.06Å; L342-V345 PolarHBondContact O-N 3.12Å; L342-I349 HydrophobicContact CD1-CG2 4.3Å; L342-I349 HydrophobicContact CD2-CD1 4.26Å; L342-L351 HydrophobicContact CD1-CD2 4.04Å; L342-L464 HydrophobicContact CB-CD2 3.96Å; L342-L464 HydrophobicContact CD1-CD2 3.88Å
343	Q	69.5	Low	74.2	Confident	154 Å²	154	53.7 Å²	53.7	72%	0.72	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-31.8	-178	-88.5	177.3	7.7	0	0	114.1	M339	M339-Q343 WeakPolarHBondContact O-CG 3.35Å; M339-Q343 PolarHBondContact O-N 3.27Å
344	R	64.7	Low	74.7	Confident	211 Å²	211	53.4 Å²	53.4	80%	0.796	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-7.8	-178.3	-62.2	-177.3	-174.9	137.3	0.6	113.6	L342	L342-R344 PolarHBondContact O-N 3.42Å
345	V	67.4	Low	75	Confident	29 Å²	29	55.2 Å²	55.2	18%	0.176	27%	0.269	C	S	.	.			trans	-86.5	122.7	-172.8	-173.8	0	0	0	0	109.3	F312 L342 I349	F312-V345 HydrophobicContact CB-CG1 4.38Å; F312-V345 HydrophobicContact CB-CG2 3.75Å; F312-V345 HydrophobicContact CD1-CB 4.46Å; F312-V345 HydrophobicContact CD1-CG1 3.36Å; F312-V345 HydrophobicContact CD1-CG2 4.22Å; F312-V345 HydrophobicContact CD2-CB 4.41Å; F312-V345 HydrophobicContact CD2-CG1 3.96Å; F312-V345 HydrophobicContact CD2-CG2 3.6Å; F312-V345 HydrophobicContact CE1-CG1 3.42Å; F312-V345 VanDerWaalsContact CE1-CG1 3.42Å; F312-V345 HydrophobicContact CE2-CG1 4Å; F312-V345 HydrophobicContact CE2-CG2 4.22Å; F312-V345 HydrophobicContact CG-CB 4.31Å; F312-V345 HydrophobicContact CG-CG1 3.64Å; F312-V345 HydrophobicContact CG-CG2 3.6Å; F312-V345 HydrophobicContact CZ-CG1 3.75Å; L342-V345 HydrophobicContact CD2-CB 4.43Å; L342-V345 HydrophobicContact CD2-CG2 4.06Å; L342-V345 PolarHBondContact O-N 3.12Å; V345-I349 HydrophobicContact CB-CD1 4.07Å; V345-I349 HydrophobicContact CG1-CD1 3.76Å
346	K	60.6	Low	74.8	Confident	160 Å²	160	55 Å²	55	70%	0.696	27%	0.268	S	S	*	.			trans	-92.3	137.5	169.3	-63	-177.5	-178.7	178.5	0	107.3	P322	P322-K346 HydrophobicContact CB-CB 4Å; P322-K346 WeakPolarHBondContact CB-O 3.34Å; P322-K346 HydrophobicContact CG-CB 3.79Å
347	G	65.3	Low	74.4	Confident	20 Å²	20	50.5 Å²	50.5	21%	0.206	25%	0.25	C	S	.	.	S	Bend	trans	150.4	167.2	177.2	0	0	0	0	0	113.2	P322 I349	P322-G347 WeakPolarHBondContact O-CA 3.41Å; G347-I349 PolarHBondContact O-N 2.93Å
348	N	72.3	Confident	73.9	Confident	73 Å²	73	51 Å²	51	39%	0.39	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	100.2	170.7	-74.6	-16.2	0	0	0	108.2	Y327	Y327-N348 PolarHBondContact N-O 3.24Å
349	I	81	Confident	73.4	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	118	-175.1	-58.4	165.4	0	0	0	109.1	Y327 I329 L342 V345 G347 L351 H463 L464	Y327-I349 HydrophobicContact CD2-CG1 4.37Å; Y327-I349 CarbonylContact O-C 3.59Å; Y327-I349 WeakPolarHBondContact O-CA 3.45Å; I329-I349 HydrophobicContact CD1-CG2 3.62Å; I329-I349 HydrophobicContact CG1-CG2 4.16Å; L342-I349 HydrophobicContact CD1-CG2 4.3Å; L342-I349 HydrophobicContact CD2-CD1 4.26Å; V345-I349 HydrophobicContact CB-CD1 4.07Å; V345-I349 HydrophobicContact CG1-CD1 3.76Å; G347-I349 PolarHBondContact O-N 2.93Å; I349-L351 HydrophobicContact CG2-CD2 3.95Å; I349-H463 PolarHBondContact O-CD2 3.14Å; I349-L464 HydrophobicContact CB-CB 4.23Å; I349-L464 HydrophobicContact CD1-CD2 4.18Å; I349-L464 PolarHBondContact O-N 2.68Å
350	A	85.7	Confident	72.5	Confident	10 Å²	10	52.2 Å²	52.2	8%	0.083	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	119.8	170.8	0	0	0	0	0	109.4	Y327 F328 I329 L461 I462	Y327-A350 PolarHBondContact O-N 2.68Å; F328-A350 CarbonylContact C-O 3.54Å; F328-A350 VanDerWaalsContact CA-O 3.27Å; F328-A350 WeakPolarHBondContact CA-O 3.4Å; F328-A350 HydrophobicContact CD1-CB 3.7Å; F328-A350 HydrophobicContact CE1-CB 3.84Å; I329-A350 PolarHBondContact N-O 2.82Å; A350-L461 HydrophobicContact CB-CD1 3.91Å; A350-L461 HydrophobicContact CB-CG 4.35Å; A350-I462 CarbonylContact C-O 3.33Å; A350-I462 WeakPolarHBondContact CA-O 3.39Å
351	L	85.2	Confident	71.9	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	132.4	172.8	-53.4	-180	0	0	0	108.7	I329 L335 L338 L342 I349 I462 L469	I329-L351 HydrophobicContact CB-CD2 3.8Å; I329-L351 HydrophobicContact CD1-CD2 4.13Å; I329-L351 HydrophobicContact CG1-CD2 4.37Å; I329-L351 HydrophobicContact CG2-CD2 4.29Å; L335-L351 HydrophobicContact CD1-CD1 4.06Å; L338-L351 HydrophobicContact CD2-CD1 4.13Å; L338-L351 HydrophobicContact CD2-CD2 3.69Å; L342-L351 HydrophobicContact CD1-CD2 4.04Å; I349-L351 HydrophobicContact CG2-CD2 3.95Å; L351-I462 HydrophobicContact CB-CB 4.28Å; L351-I462 PolarHBondContact N-O 2.88Å; L351-I462 PolarHBondContact O-N 3.03Å; L351-L469 HydrophobicContact CD1-CD2 3.67Å
352	V	86.1	Confident	71.2	Confident	4 Å²	4	62.4 Å²	62.4	2%	0.024	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	122	173.2	177.2	0	0	0	0	108.1	L235 I329 F330 L459 L461	L235-V352 HydrophobicContact CD2-CB 4.29Å; L235-V352 HydrophobicContact CD2-CG1 3.31Å; L235-V352 HydrophobicContact CD2-CG2 3.96Å; I329-V352 PolarHBondContact O-N 3.32Å; F330-V352 HydrophobicContact CD1-CB 3.56Å; F330-V352 HydrophobicContact CD1-CG1 3.68Å; F330-V352 HydrophobicContact CD1-CG2 4.1Å; F330-V352 HydrophobicContact CE1-CB 3.76Å; F330-V352 HydrophobicContact CE1-CG1 3.74Å; F330-V352 HydrophobicContact CE1-CG2 3.82Å; V352-L459 HydrophobicContact CG1-CD2 4.03Å; V352-L461 HydrophobicContact CG2-CD1 3.74Å
353	R	82.3	Confident	70.4	Confident	12 Å²	12	62.3 Å²	62.3	5%	0.045	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	151.6	178.7	-60.5	-172.6	81.2	-168.1	1.8	111.5	E364 E366 L459 E460	R353-E364 PolarHBondContact NH1-O 3.2Å; R353-E364 PolarHBondContact NH2-O 3.41Å; R353-E366 PolarHBondContact NH2-O 2.95Å; R353-E366 VanDerWaalsContact NH2-O 3.17Å; R353-L459 CarbonylContact O-C 3.59Å; R353-L459 WeakPolarHBondContact O-CA 3.41Å; R353-L459 WeakPolarHBondContact O-CD2 3.29Å; R353-E460 HydrophobicContact CB-CG 4.15Å; R353-E460 PolarHBondContact N-O 3.4Å; R353-E460 VanDerWaalsContact N-O 3.12Å; R353-E460 PolarHBondContact O-N 3.27Å
354	F	79.2	Confident	70.1	Confident	15 Å²	15	58.4 Å²	58.4	7%	0.066	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	130.9	171	-69.3	-78.2	0	0	0	110.8	P227 L231 V232 I356 L368 L459	P227-F354 HydrophobicContact CB-CD1 3.62Å; P227-F354 HydrophobicContact CB-CD2 4.1Å; P227-F354 HydrophobicContact CB-CE1 3.45Å; P227-F354 VanDerWaalsContact CB-CE1 3.45Å; P227-F354 HydrophobicContact CB-CE2 3.93Å; P227-F354 HydrophobicContact CB-CG 3.93Å; P227-F354 HydrophobicContact CB-CZ 3.58Å; P227-F354 HydrophobicContact CG-CD2 4.18Å; P227-F354 HydrophobicContact CG-CE1 4.44Å; P227-F354 HydrophobicContact CG-CE2 4.06Å; P227-F354 HydrophobicContact CG-CG 4.39Å; P227-F354 HydrophobicContact CG-CZ 4.17Å; L231-F354 HydrophobicContact CB-CE1 4.41Å; L231-F354 HydrophobicContact CD1-CE1 4.48Å; V232-F354 HydrophobicContact CG2-CE1 4Å; V232-F354 HydrophobicContact CG2-CE2 3.96Å; V232-F354 HydrophobicContact CG2-CZ 3.35Å; F354-I356 PolarHBondContact O-N 3.25Å; F354-L368 HydrophobicContact CB-CD1 3.92Å; F354-L368 HydrophobicContact CD2-CD1 4.33Å; F354-L368 HydrophobicContact CD2-CD2 3.63Å; F354-L368 HydrophobicContact CE2-CD2 4.19Å; F354-L459 HydrophobicContact CD1-CD2 3.47Å; F354-L459 VanDerWaalsContact CD1-CD2 3.47Å; F354-L459 HydrophobicContact CD1-CG 4.32Å; F354-L459 HydrophobicContact CD2-CD2 4.44Å; F354-L459 HydrophobicContact CE1-CD2 3.67Å; F354-L459 HydrophobicContact CE1-CG 4.46Å; F354-L459 HydrophobicContact CG-CD2 3.91Å; F354-L459 HydrophobicContact CZ-CD2 4.27Å
355	K	76.7	Confident	70.2	Confident	76 Å²	76	51.3 Å²	51.3	33%	0.33	28%	0.283	S	S	.	.			trans	-94.5	88.7	179.4	-174.6	179	-174.5	171.1	0	109.5	P357 G458 D474	K355-P357 WeakPolarHBondContact O-CD 3.4Å; K355-G458 PolarHBondContact N-O 2.95Å; K355-D474 IonicContact NZ-OD1 3.7Å; K355-D474 PolarHBondContact NZ-OD1 2.94Å; K355-D474 IonicContact NZ-OD2 2.67Å; K355-D474 PolarHBondContact NZ-OD2 3.32Å
356	I	72.6	Confident	70.5	Confident	14 Å²	14	52.3 Å²	52.3	7%	0.072	29%	0.286	C	S	.	.			trans	-73.5	118.2	-177.9	-59.9	166.2	0	0	0	110.3	F354 I359 L368 Q371 M372 Y457	F354-I356 PolarHBondContact O-N 3.25Å; I356-I359 HydrophobicContact CB-CD1 3.64Å; I356-I359 HydrophobicContact CB-CG1 4.2Å; I356-I359 HydrophobicContact CD1-CD1 4.1Å; I356-I359 HydrophobicContact CG1-CD1 4.48Å; I356-I359 HydrophobicContact CG2-CD1 3.56Å; I356-I359 HydrophobicContact CG2-CG1 3.93Å; I356-L368 HydrophobicContact CD1-CD1 3.63Å; I356-L368 HydrophobicContact CG1-CD1 4.33Å; I356-Q371 HydrophobicContact CD1-CB 3.69Å; I356-M372 HydrophobicContact CD1-CG 3.68Å; I356-Y457 HydrophobicContact CG1-CD1 4.17Å; I356-Y457 HydrophobicContact CG1-CE1 4.46Å; I356-Y457 HydrophobicContact CG2-CD1 4.48Å; I356-Y457 HydrophobicContact CG2-CE1 4.31Å
357	P	65.1	Low	71.1	Confident	38 Å²	38	45.5 Å²	45.5	25%	0.247	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	136.5	-177.9	-22.5	35.8	0	0	0	112.7	K355 R442	K355-P357 WeakPolarHBondContact O-CD 3.4Å; P357-R442 WeakPolarHBondContact CB-O 3.37Å
358	G	62.4	Low	71.5	Confident	69 Å²	69	44.9 Å²	44.9	71%	0.711	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	-1	175.6	0	0	0	0	0	115.6
359	I	64.7	Low	71.5	Confident	38 Å²	38	42.4 Å²	42.4	20%	0.195	24%	0.236	C	C	.	.			trans	-85.2	137.5	174	-60.3	-170.5	0	0	0	109.8	I356 S363 Q371	I356-I359 HydrophobicContact CB-CD1 3.64Å; I356-I359 HydrophobicContact CB-CG1 4.2Å; I356-I359 HydrophobicContact CD1-CD1 4.1Å; I356-I359 HydrophobicContact CG1-CD1 4.48Å; I356-I359 HydrophobicContact CG2-CD1 3.56Å; I356-I359 HydrophobicContact CG2-CG1 3.93Å; I359-S363 VanDerWaalsContact CG2-CB 3.47Å; I359-Q371 HydrophobicContact CD1-CB 3.58Å; I359-Q371 HydrophobicContact CD1-CG 4.19Å; I359-Q371 VanDerWaalsContact CD1-O 3.29Å; I359-Q371 WeakPolarHBondContact CD1-O 3.43Å
360	S	59.9	Low	71.2	Confident	55 Å²	55	43.5 Å²	43.5	39%	0.385	24%	0.243	S	C	.	.			trans	-70.8	149.4	177.8	61.6	0	0	0	0	111.7	E362 S363	S360-E362 PolarHBondContact O-N 3.31Å; S360-E362 VanDerWaalsContact O-N 3.08Å; S360-S363 PolarHBondContact O-N 3.04Å; S360-S363 PolarHBondContact OG-OG 3.49Å; S360-S363 VanDerWaalsContact OG-OG 3.11Å
361	H	60.3	Low	70.7	Confident	147 Å²	147	43.6 Å²	43.6	68%	0.681	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-51.9	-32.1	175.3	-84.5	-63.8	0	0	0	113.3	S363 E364	H361-S363 PolarHBondContact O-N 2.79Å; H361-E364 IonicContact CE1-OE1 3.24Å; H361-E364 PolarHBondContact CE1-OE1 3.24Å; H361-E364 IonicContact CG-OE1 3.07Å; H361-E364 VanDerWaalsContact ND1-CD 3.29Å; H361-E364 IonicContact ND1-OE1 3.88Å; H361-E364 PolarHBondContact ND1-OE1 2.94Å; H361-E364 IonicContact ND1-OE2 3.42Å; H361-E364 PolarHBondContact ND1-OE2 3.03Å; H361-E364 WeakPolarHBondContact O-CB 3.37Å; H361-E364 PolarHBondContact O-N 2.9Å
362	E	59.6	Low	70.3	Confident	177 Å²	177	43.6 Å²	43.6	83%	0.827	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-63	-26	177.3	-67.7	179.2	172.1	0	0	113.5	S360	S360-E362 PolarHBondContact O-N 3.31Å; S360-E362 VanDerWaalsContact O-N 3.08Å
363	S	57.7	Low	69.8	Low	4 Å²	4	43.5 Å²	43.5	3%	0.028	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-91.4	-1.8	-178	-41.8	0	0	0	0	112.9	I359 S360 H361 S365 E366 R374	I359-S363 VanDerWaalsContact CG2-CB 3.47Å; S360-S363 PolarHBondContact O-N 3.04Å; S360-S363 PolarHBondContact OG-OG 3.49Å; S360-S363 VanDerWaalsContact OG-OG 3.11Å; H361-S363 PolarHBondContact O-N 2.79Å; S363-S365 PolarHBondContact O-N 2.89Å; S363-E366 WeakPolarHBondContact O-CB 3.31Å; S363-E366 PolarHBondContact O-N 2.68Å; S363-E366 VanDerWaalsContact O-N 3.13Å; S363-R374 PolarHBondContact OG-NH1 2.94Å
364	E	64.4	Low	69.5	Low	71 Å²	71	47.1 Å²	47.1	33%	0.332	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-21.1	-179.9	-71.6	175.1	177.5	0	0	112.6	R353 H361 E366	R353-E364 PolarHBondContact NH1-O 3.2Å; R353-E364 PolarHBondContact NH2-O 3.41Å; H361-E364 IonicContact CE1-OE1 3.24Å; H361-E364 PolarHBondContact CE1-OE1 3.24Å; H361-E364 IonicContact CG-OE1 3.07Å; H361-E364 VanDerWaalsContact ND1-CD 3.29Å; H361-E364 IonicContact ND1-OE1 3.88Å; H361-E364 PolarHBondContact ND1-OE1 2.94Å; H361-E364 IonicContact ND1-OE2 3.42Å; H361-E364 PolarHBondContact ND1-OE2 3.03Å; H361-E364 WeakPolarHBondContact O-CB 3.37Å; H361-E364 PolarHBondContact O-N 2.9Å; E364-E366 VanDerWaalsContact C-N 3.33Å
365	S	66.7	Low	69.4	Low	62 Å²	62	46.7 Å²	46.7	43%	0.434	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-23.1	176.2	60.2	0	0	0	0	113.3	L335 S363	L335-S365 PolarHBondContact N-O 3.41Å; S363-S365 PolarHBondContact O-N 2.89Å
366	E	72.3	Confident	69.3	Low	50 Å²	50	43 Å²	43	23%	0.234	24%	0.238	C	C	.	.	S	Bend	trans	-70.6	161.7	-178.1	-61.1	-176.3	162.6	0	0	111.8	Y63 R353 S363 E364 T370 Q371	Y63-E366 PolarHBondContact OH-OE1 3.24Å; R353-E366 PolarHBondContact NH2-O 2.95Å; R353-E366 VanDerWaalsContact NH2-O 3.17Å; S363-E366 WeakPolarHBondContact O-CB 3.31Å; S363-E366 PolarHBondContact O-N 2.68Å; S363-E366 VanDerWaalsContact O-N 3.13Å; E364-E366 VanDerWaalsContact C-N 3.33Å; E366-T370 HydrophobicContact CB-CG2 4.29Å; E366-T370 VanDerWaalsContact OE2-CG2 3.3Å; E366-T370 WeakPolarHBondContact OE2-CG2 3.48Å; E366-Q371 HydrophobicContact CB-CG 4.22Å; E366-Q371 PolarHBondContact O-NE2 3.43Å
367	S	72.9	Confident	69.5	Low	17 Å²	17	42.6 Å²	42.6	12%	0.119	24%	0.235	C	C	.	.			trans	-64.8	153.6	174.7	78.6	0	0	0	0	111.5	H369 T370 Q371	S367-H369 PolarHBondContact O-N 2.95Å; S367-T370 PolarHBondContact O-N 3.12Å; S367-T370 VanDerWaalsContact O-N 3.08Å; S367-T370 PolarHBondContact OG-N 3.48Å; S367-T370 PolarHBondContact OG-OG1 2.52Å; S367-Q371 WeakPolarHBondContact O-CG 3.2Å; S367-Q371 PolarHBondContact O-N 3.49Å
368	L	74.5	Confident	70.1	Confident	7 Å²	7	43.9 Å²	43.9	4%	0.037	24%	0.24	C	C	.	.	H	α-helix	trans	-55.9	-39.8	176	-177.8	64.5	0	0	0	111	W107 P227 D332 F354 I356 T370 Q371 M372	W107-L368 HydrophobicContact CH2-CD2 3.93Å; W107-L368 HydrophobicContact CH2-CG 3.99Å; W107-L368 HydrophobicContact CZ2-CB 4.27Å; W107-L368 HydrophobicContact CZ2-CD2 3.95Å; W107-L368 HydrophobicContact CZ2-CG 4.12Å; P227-L368 HydrophobicContact CG-CD2 4.24Å; D332-L368 HydrophobicContact CB-CB 4.09Å; D332-L368 HydrophobicContact CB-CD2 3.9Å; D332-L368 WeakPolarHBondContact O-CB 3.31Å; D332-L368 PolarHBondContact O-N 3.22Å; D332-L368 WeakPolarHBondContact OD1-CD2 3.44Å; F354-L368 HydrophobicContact CB-CD1 3.92Å; F354-L368 HydrophobicContact CD2-CD1 4.33Å; F354-L368 HydrophobicContact CD2-CD2 3.63Å; F354-L368 HydrophobicContact CE2-CD2 4.19Å; I356-L368 HydrophobicContact CD1-CD1 3.63Å; I356-L368 HydrophobicContact CG1-CD1 4.33Å; L368-T370 PolarHBondContact O-N 2.63Å; L368-Q371 PolarHBondContact O-N 3.35Å; L368-M372 HydrophobicContact CD1-CG 4.32Å; L368-M372 HydrophobicContact CG-CG 4.32Å; L368-M372 HydrophobicContact CG-SD 4.44Å; L368-M372 VanDerWaalsContact O-CB 3.29Å; L368-M372 WeakPolarHBondContact O-CB 3.29Å; L368-M372 WeakPolarHBondContact O-CG 3.23Å; L368-M372 PolarHBondContact O-N 3.07Å
369	H	72.8	Confident	70.7	Confident	22 Å²	22	40.7 Å²	40.7	10%	0.102	21%	0.207	C	C	.	.	H	α-helix	trans	-57.2	-47.2	176.7	-177.1	48.1	0	0	0	112.5	W107 I179 S367 M372 I373	W107-H369 HydrophobicContact CD2-CB 3.73Å; W107-H369 AromaticContact CD2-CG 3.76Å; W107-H369 AromaticContact CD2-ND1 3.42Å; W107-H369 HydrophobicContact CE3-CB 4.23Å; W107-H369 AromaticContact CE3-ND1 3.35Å; W107-H369 HydrophobicContact CG-CB 3.92Å; W107-H369 AromaticContact CG-CG 3.68Å; W107-H369 AromaticContact CG-ND1 3.52Å; W107-H369 HydrophobicContact CZ2-CB 4.33Å; I179-H369 WeakPolarHBondContact CD1-CE1 3.35Å; I179-H369 WeakPolarHBondContact CD1-ND1 3.37Å; S367-H369 PolarHBondContact O-N 2.95Å; H369-M372 PolarHBondContact O-N 3.33Å; H369-I373 VanDerWaalsContact CE1-CD1 3.45Å; H369-I373 WeakPolarHBondContact CE1-CD1 3.45Å; H369-I373 WeakPolarHBondContact NE2-CD1 3.31Å; H369-I373 WeakPolarHBondContact O-CG1 3.15Å; H369-I373 PolarHBondContact O-N 3.29Å
370	T	74.3	Confident	71.3	Confident	25 Å²	25	39 Å²	39	15%	0.153	20%	0.198	C	C	.	.	H	α-helix	trans	-65.3	-45.6	179.1	-47.8	0	0	0	0	111.3	Y63 E366 S367 L368 M372 I373 R374	Y63-T370 HydrophobicContact CE2-CG2 3.85Å; Y63-T370 WeakPolarHBondContact OH-CG2 3.4Å; E366-T370 HydrophobicContact CB-CG2 4.29Å; E366-T370 VanDerWaalsContact OE2-CG2 3.3Å; E366-T370 WeakPolarHBondContact OE2-CG2 3.48Å; S367-T370 PolarHBondContact O-N 3.12Å; S367-T370 VanDerWaalsContact O-N 3.08Å; S367-T370 PolarHBondContact OG-N 3.48Å; S367-T370 PolarHBondContact OG-OG1 2.52Å; L368-T370 PolarHBondContact O-N 2.63Å; T370-M372 VanDerWaalsContact C-N 3.28Å; T370-M372 PolarHBondContact O-N 3.19Å; T370-I373 PolarHBondContact O-N 3.15Å; T370-R374 WeakPolarHBondContact O-CB 3.46Å; T370-R374 PolarHBondContact O-N 2.84Å
371	Q	76.2	Confident	72.1	Confident	11 Å²	11	37 Å²	37	5%	0.051	18%	0.184	C	C	.	.	H	α-helix	trans	-58.8	-41.5	176	-69.9	-177.7	37.8	0	0	111.6	I356 I359 E366 S367 L368 R374 S375	I356-Q371 HydrophobicContact CD1-CB 3.69Å; I359-Q371 HydrophobicContact CD1-CB 3.58Å; I359-Q371 HydrophobicContact CD1-CG 4.19Å; I359-Q371 VanDerWaalsContact CD1-O 3.29Å; I359-Q371 WeakPolarHBondContact CD1-O 3.43Å; E366-Q371 HydrophobicContact CB-CG 4.22Å; E366-Q371 PolarHBondContact O-NE2 3.43Å; S367-Q371 WeakPolarHBondContact O-CG 3.2Å; S367-Q371 PolarHBondContact O-N 3.49Å; L368-Q371 PolarHBondContact O-N 3.35Å; Q371-R374 PolarHBondContact O-N 3.36Å; Q371-S375 VanDerWaalsContact O-CB 3.31Å; Q371-S375 WeakPolarHBondContact O-CB 3.43Å; Q371-S375 PolarHBondContact O-N 2.85Å
372	M	76.1	Confident	72.9	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-67.3	-45.1	176.8	-78.8	-160.3	77.9	0	0	113.2	W107 I179 I225 P227 I356 L368 H369 T370 R374 S375 I376	W107-M372 HydrophobicContact CH2-SD 3.47Å; W107-M372 WeakPolarHBondContact CH2-SD 3.4Å; W107-M372 HydrophobicContact CZ3-SD 3.39Å; W107-M372 WeakPolarHBondContact CZ3-SD 3.49Å; I179-M372 HydrophobicContact CB-CE 4.36Å; I179-M372 WeakPolarHBondContact O-CE 3.46Å; I225-M372 WeakPolarHBondContact O-CE 3.42Å; P227-M372 VanDerWaalsContact CD-CE 3.42Å; P227-M372 WeakPolarHBondContact CD-SD 3.34Å; P227-M372 HydrophobicContact CG-SD 4.12Å; I356-M372 HydrophobicContact CD1-CG 3.68Å; L368-M372 HydrophobicContact CD1-CG 4.32Å; L368-M372 HydrophobicContact CG-CG 4.32Å; L368-M372 HydrophobicContact CG-SD 4.44Å; L368-M372 VanDerWaalsContact O-CB 3.29Å; L368-M372 WeakPolarHBondContact O-CB 3.29Å; L368-M372 WeakPolarHBondContact O-CG 3.23Å; L368-M372 PolarHBondContact O-N 3.07Å; H369-M372 PolarHBondContact O-N 3.33Å; T370-M372 VanDerWaalsContact C-N 3.28Å; T370-M372 PolarHBondContact O-N 3.19Å; M372-R374 VanDerWaalsContact C-N 3.26Å; M372-R374 PolarHBondContact O-N 3.15Å; M372-S375 PolarHBondContact O-N 3.41Å; M372-I376 WeakPolarHBondContact O-CB 3.48Å; M372-I376 VanDerWaalsContact O-CG1 3.26Å; M372-I376 WeakPolarHBondContact O-CG1 3.44Å; M372-I376 PolarHBondContact O-N 3.16Å
373	I	75.3	Confident	73.8	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-55.2	-48.3	174.3	-76.6	171.7	0	0	0	109.6	F60 Y63 H369 T370 I376 I377	F60-I373 HydrophobicContact CB-CG2 4.19Å; F60-I373 HydrophobicContact CD2-CG1 4.32Å; F60-I373 HydrophobicContact CD2-CG2 3.69Å; F60-I373 HydrophobicContact CE2-CG2 4.39Å; F60-I373 HydrophobicContact CG-CG2 4.3Å; Y63-I373 HydrophobicContact CD2-CG2 4.02Å; H369-I373 VanDerWaalsContact CE1-CD1 3.45Å; H369-I373 WeakPolarHBondContact CE1-CD1 3.45Å; H369-I373 WeakPolarHBondContact NE2-CD1 3.31Å; H369-I373 WeakPolarHBondContact O-CG1 3.15Å; H369-I373 PolarHBondContact O-N 3.29Å; T370-I373 PolarHBondContact O-N 3.15Å; I373-I376 PolarHBondContact O-N 2.92Å; I373-I377 HydrophobicContact CG2-CD1 3.67Å; I373-I377 WeakPolarHBondContact O-CB 3.49Å; I373-I377 VanDerWaalsContact O-CG1 3.29Å; I373-I377 WeakPolarHBondContact O-CG1 3.41Å; I373-I377 PolarHBondContact O-N 2.99Å
374	R	76.2	Confident	74.7	Confident	89 Å²	89	23.1 Å²	23.1	34%	0.336	12%	0.122	S	C	.	.	H	α-helix	trans	-63.3	-46	180	-170.1	174	-172.1	167.2	1.7	112	Y63 S363 T370 Q371 M372 I376 I377 D378	Y63-R374 HydrophobicContact CD1-CG 4.36Å; S363-R374 PolarHBondContact OG-NH1 2.94Å; T370-R374 WeakPolarHBondContact O-CB 3.46Å; T370-R374 PolarHBondContact O-N 2.84Å; Q371-R374 PolarHBondContact O-N 3.36Å; M372-R374 VanDerWaalsContact C-N 3.26Å; M372-R374 PolarHBondContact O-N 3.15Å; R374-I376 VanDerWaalsContact C-N 3.34Å; R374-I376 PolarHBondContact O-N 3.23Å; R374-I377 PolarHBondContact O-N 2.83Å; R374-D378 WeakPolarHBondContact O-CB 3.45Å; R374-D378 PolarHBondContact O-N 3.35Å
375	S	76.5	Confident	75.3	Confident	5 Å²	5	24.9 Å²	24.9	4%	0.035	13%	0.133	C	C	.	.	H	α-helix	trans	-56	-49.3	175.3	179.4	0	0	0	0	110.9	Q371 M372 I377 D378 H379	Q371-S375 VanDerWaalsContact O-CB 3.31Å; Q371-S375 WeakPolarHBondContact O-CB 3.43Å; Q371-S375 PolarHBondContact O-N 2.85Å; M372-S375 PolarHBondContact O-N 3.41Å; S375-I377 VanDerWaalsContact C-N 3.35Å; S375-I377 PolarHBondContact O-N 3.27Å; S375-D378 PolarHBondContact O-N 3.09Å; S375-H379 PolarHBondContact O-N 3.37Å; S375-H379 PolarHBondContact O-ND1 2.9Å; S375-H379 PolarHBondContact OG-CE1 3.44Å; S375-H379 PolarHBondContact OG-ND1 2.95Å
376	I	75.1	Confident	75.9	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61	-44.9	-179.5	-72.9	172.8	0	0	0	111.8	V177 I179 I225 M372 I373 R374 D378 H379 L380	V177-I376 HydrophobicContact CG1-CD1 4.15Å; V177-I376 HydrophobicContact CG1-CG1 4.35Å; V177-I376 HydrophobicContact CG1-CG2 3.83Å; I179-I376 HydrophobicContact CB-CD1 4.09Å; I179-I376 HydrophobicContact CG2-CD1 3.19Å; I225-I376 HydrophobicContact CB-CD1 4.1Å; I225-I376 HydrophobicContact CB-CG1 4.1Å; I225-I376 HydrophobicContact CD1-CG1 3.94Å; I225-I376 HydrophobicContact CG2-CD1 4.14Å; I225-I376 HydrophobicContact CG2-CG1 3.73Å; M372-I376 WeakPolarHBondContact O-CB 3.48Å; M372-I376 VanDerWaalsContact O-CG1 3.26Å; M372-I376 WeakPolarHBondContact O-CG1 3.44Å; M372-I376 PolarHBondContact O-N 3.16Å; I373-I376 PolarHBondContact O-N 2.92Å; R374-I376 VanDerWaalsContact C-N 3.34Å; R374-I376 PolarHBondContact O-N 3.23Å; I376-D378 VanDerWaalsContact C-N 3.32Å; I376-D378 PolarHBondContact O-N 3.32Å; I376-H379 PolarHBondContact O-N 3.36Å; I376-L380 HydrophobicContact CG2-CD1 3.57Å; I376-L380 HydrophobicContact CG2-CG 4.23Å; I376-L380 VanDerWaalsContact O-CB 3.23Å; I376-L380 WeakPolarHBondContact O-CB 3.34Å; I376-L380 VanDerWaalsContact O-CG 3.24Å; I376-L380 WeakPolarHBondContact O-CG 3.5Å; I376-L380 PolarHBondContact O-N 3.5Å
377	I	76.4	Confident	76.2	Confident	4 Å²	4	24.2 Å²	24.2	2%	0.021	13%	0.126	C	C	.	.	H	α-helix	trans	-62.9	-41.1	178.7	-71.7	167.7	0	0	0	110.7	F60 A64 A67 I69 I373 R374 S375 S381	F60-I377 HydrophobicContact CD1-CD1 4.37Å; F60-I377 HydrophobicContact CD2-CD1 4.02Å; F60-I377 HydrophobicContact CD2-CG1 4.5Å; F60-I377 HydrophobicContact CE1-CD1 4.22Å; F60-I377 HydrophobicContact CE1-CG1 4.37Å; F60-I377 HydrophobicContact CE2-CD1 3.91Å; F60-I377 HydrophobicContact CE2-CG1 3.9Å; F60-I377 HydrophobicContact CG-CD1 4.22Å; F60-I377 HydrophobicContact CZ-CD1 3.99Å; F60-I377 HydrophobicContact CZ-CG1 3.8Å; F60-I377 WeakPolarHBondContact O-CD1 3.48Å; A64-I377 HydrophobicContact CB-CD1 4.17Å; A64-I377 HydrophobicContact CB-CG2 4.41Å; A67-I377 HydrophobicContact CB-CG2 3.58Å; I69-I377 HydrophobicContact CD1-CG2 4.19Å; I373-I377 HydrophobicContact CG2-CD1 3.67Å; I373-I377 WeakPolarHBondContact O-CB 3.49Å; I373-I377 VanDerWaalsContact O-CG1 3.29Å; I373-I377 WeakPolarHBondContact O-CG1 3.41Å; I373-I377 PolarHBondContact O-N 2.99Å; R374-I377 PolarHBondContact O-N 2.83Å; S375-I377 VanDerWaalsContact C-N 3.35Å; S375-I377 PolarHBondContact O-N 3.27Å; I377-S381 WeakPolarHBondContact O-CB 3.49Å; I377-S381 PolarHBondContact O-N 3.3Å
378	D	77	Confident	76.1	Confident	65 Å²	65	23.4 Å²	23.4	35%	0.348	12%	0.121	S	C	.	.	H	α-helix	trans	-66	-44	176.7	-173.6	53.9	0	0	0	112.3	R374 S375 I376 S381 T382 R442	R374-D378 WeakPolarHBondContact O-CB 3.45Å; R374-D378 PolarHBondContact O-N 3.35Å; S375-D378 PolarHBondContact O-N 3.09Å; I376-D378 VanDerWaalsContact C-N 3.32Å; I376-D378 PolarHBondContact O-N 3.32Å; D378-S381 PolarHBondContact O-N 3.03Å; D378-T382 WeakPolarHBondContact O-CB 3.13Å; D378-T382 PolarHBondContact O-N 3.27Å; D378-T382 PolarHBondContact O-OG1 3Å; D378-R442 IonicContact OD2-CZ 3.44Å; D378-R442 IonicContact OD2-NH1 2.69Å; D378-R442 PolarHBondContact OD2-NH1 3.43Å; D378-R442 IonicContact OD2-NH2 3.04Å
379	H	76.6	Confident	75.8	Confident	3 Å²	3	30 Å²	30	1%	0.014	16%	0.155	C	C	.	.	H	α-helix	trans	-64.4	-43.3	176.7	-73.7	79.6	0	0	0	111.4	S375 I376 T382 A383 V438	S375-H379 PolarHBondContact O-N 3.37Å; S375-H379 PolarHBondContact O-ND1 2.9Å; S375-H379 PolarHBondContact OG-CE1 3.44Å; S375-H379 PolarHBondContact OG-ND1 2.95Å; I376-H379 PolarHBondContact O-N 3.36Å; H379-T382 PolarHBondContact O-N 3.04Å; H379-A383 VanDerWaalsContact O-CB 3.3Å; H379-A383 WeakPolarHBondContact O-CB 3.42Å; H379-A383 PolarHBondContact O-N 3.18Å; H379-V438 HydrophobicContact CB-CG1 4.31Å
380	L	75.8	Confident	75.7	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-65.7	-44	176	-76.5	171.7	0	0	0	111.5	L48 V103 V177 I376 T382 A383 M384 I435	L48-L380 HydrophobicContact CD1-CD1 3.79Å; L48-L380 HydrophobicContact CD2-CD1 4.06Å; V103-L380 HydrophobicContact CG2-CD1 4.01Å; V177-L380 HydrophobicContact CG2-CD2 4.05Å; I376-L380 HydrophobicContact CG2-CD1 3.57Å; I376-L380 HydrophobicContact CG2-CG 4.23Å; I376-L380 VanDerWaalsContact O-CB 3.23Å; I376-L380 WeakPolarHBondContact O-CB 3.34Å; I376-L380 VanDerWaalsContact O-CG 3.24Å; I376-L380 WeakPolarHBondContact O-CG 3.5Å; I376-L380 PolarHBondContact O-N 3.5Å; L380-T382 VanDerWaalsContact C-N 3.33Å; L380-T382 PolarHBondContact O-N 3.37Å; L380-A383 PolarHBondContact O-N 2.87Å; L380-M384 HydrophobicContact CB-CE 4.27Å; L380-M384 WeakPolarHBondContact O-CB 3.46Å; L380-M384 WeakPolarHBondContact O-CE 3.49Å; L380-M384 VanDerWaalsContact O-CG 3.26Å; L380-M384 WeakPolarHBondContact O-CG 3.44Å; L380-M384 PolarHBondContact O-N 2.86Å; L380-I435 HydrophobicContact CD2-CD1 3.58Å; L380-I435 HydrophobicContact CD2-CG1 4.01Å
381	S	76.4	Confident	75.4	Confident	14 Å²	14	33.8 Å²	33.8	10%	0.098	17%	0.17	C	C	.	.	H	α-helix	trans	-58	-49	175.7	-172.5	0	0	0	0	110.5	A67 I377 D378 A383 M384 N385	A67-S381 PolarHBondContact O-OG 3.39Å; I377-S381 WeakPolarHBondContact O-CB 3.49Å; I377-S381 PolarHBondContact O-N 3.3Å; D378-S381 PolarHBondContact O-N 3.03Å; S381-A383 PolarHBondContact O-N 2.88Å; S381-M384 PolarHBondContact O-N 2.78Å; S381-N385 WeakPolarHBondContact O-CB 3.22Å; S381-N385 PolarHBondContact O-N 3Å; S381-N385 PolarHBondContact O-ND2 3.24Å; S381-N385 VanDerWaalsContact O-ND2 3.13Å
382	T	79	Confident	74.6	Confident	33 Å²	33	40 Å²	40	20%	0.202	20%	0.199	C	C	.	.	H	α-helix	trans	-59.9	-47.4	177.3	-57.1	0	0	0	0	111.3	D378 H379 L380 M384 N385 L386 V438	D378-T382 WeakPolarHBondContact O-CB 3.13Å; D378-T382 PolarHBondContact O-N 3.27Å; D378-T382 PolarHBondContact O-OG1 3Å; H379-T382 PolarHBondContact O-N 3.04Å; L380-T382 VanDerWaalsContact C-N 3.33Å; L380-T382 PolarHBondContact O-N 3.37Å; T382-M384 PolarHBondContact O-N 3.26Å; T382-N385 PolarHBondContact O-N 3.47Å; T382-L386 HydrophobicContact CG2-CD1 4.22Å; T382-L386 VanDerWaalsContact O-CG 3.31Å; T382-L386 WeakPolarHBondContact O-CG 3.19Å; T382-L386 PolarHBondContact O-N 3.11Å; T382-V438 HydrophobicContact CG2-CG1 4.1Å; T382-V438 HydrophobicContact CG2-CG2 4.01Å
383	A	78.6	Confident	73.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.2	-42.6	179.7	0	0	0	0	0	112.2	H379 L380 S381 L386 A387 I435 V438	H379-A383 VanDerWaalsContact O-CB 3.3Å; H379-A383 WeakPolarHBondContact O-CB 3.42Å; H379-A383 PolarHBondContact O-N 3.18Å; L380-A383 PolarHBondContact O-N 2.87Å; S381-A383 PolarHBondContact O-N 2.88Å; A383-L386 PolarHBondContact O-N 3.38Å; A383-A387 VanDerWaalsContact O-CB 3.25Å; A383-A387 WeakPolarHBondContact O-CB 3.43Å; A383-A387 PolarHBondContact O-N 3.28Å; A383-I435 HydrophobicContact CB-CB 4.45Å; A383-I435 HydrophobicContact CB-CG1 3.75Å; A383-V438 HydrophobicContact CB-CG2 3.97Å
384	M	75.9	Confident	73	Confident	4 Å²	4	49 Å²	49	2%	0.02	26%	0.256	C	S	.	.	H	α-helix	trans	-67.6	-38.4	177.5	-71.8	-174.2	-65.7	0	0	112	Y46 I69 L380 S381 T382 A387 G388 L431	Y46-M384 WeakPolarHBondContact CB-SD 3.39Å; Y46-M384 HydrophobicContact CD2-CB 3.63Å; Y46-M384 HydrophobicContact CD2-CG 4.43Å; Y46-M384 HydrophobicContact CD2-SD 4.28Å; Y46-M384 HydrophobicContact CE2-CB 4.03Å; Y46-M384 HydrophobicContact CG-CB 4.01Å; Y46-M384 HydrophobicContact CG-CG 4.38Å; Y46-M384 HydrophobicContact CG-SD 3.98Å; I69-M384 HydrophobicContact CB-CE 4.34Å; I69-M384 HydrophobicContact CD1-CE 3.33Å; I69-M384 HydrophobicContact CG1-CE 3.49Å; I69-M384 VanDerWaalsContact CG1-CE 3.49Å; I69-M384 HydrophobicContact CG2-CE 3.89Å; L380-M384 HydrophobicContact CB-CE 4.27Å; L380-M384 WeakPolarHBondContact O-CB 3.46Å; L380-M384 WeakPolarHBondContact O-CE 3.49Å; L380-M384 VanDerWaalsContact O-CG 3.26Å; L380-M384 WeakPolarHBondContact O-CG 3.44Å; L380-M384 PolarHBondContact O-N 2.86Å; S381-M384 PolarHBondContact O-N 2.78Å; T382-M384 PolarHBondContact O-N 3.26Å; M384-A387 PolarHBondContact O-N 2.93Å; M384-G388 VanDerWaalsContact O-CA 3.31Å; M384-G388 WeakPolarHBondContact O-CA 3.37Å; M384-G388 PolarHBondContact O-N 3.38Å; M384-L431 HydrophobicContact CG-CD1 3.91Å
385	N	76.5	Confident	72.5	Confident	107 Å²	107	47.4 Å²	47.4	57%	0.572	25%	0.252	S	S	*	.	H	α-helix	trans	-63.5	-41.6	174.7	-72	-27	0	0	0	111.6	S381 T382 G388	S381-N385 WeakPolarHBondContact O-CB 3.22Å; S381-N385 PolarHBondContact O-N 3Å; S381-N385 PolarHBondContact O-ND2 3.24Å; S381-N385 VanDerWaalsContact O-ND2 3.13Å; T382-N385 PolarHBondContact O-N 3.47Å; N385-G388 PolarHBondContact O-N 2.66Å
386	L	79.6	Confident	72	Confident	98 Å²	98	52 Å²	52	51%	0.513	27%	0.273	S	S	.	.	H	α-helix	trans	-68.1	-37.5	175.7	-69.5	173.4	0	0	0	112.8	T382 A383 G388 Y434 V438	T382-L386 HydrophobicContact CG2-CD1 4.22Å; T382-L386 VanDerWaalsContact O-CG 3.31Å; T382-L386 WeakPolarHBondContact O-CG 3.19Å; T382-L386 PolarHBondContact O-N 3.11Å; A383-L386 PolarHBondContact O-N 3.38Å; L386-G388 VanDerWaalsContact C-N 3.29Å; L386-Y434 HydrophobicContact CB-CD1 3.84Å; L386-Y434 HydrophobicContact CB-CE1 4.07Å; L386-V438 HydrophobicContact CD1-CG2 3.84Å
387	A	77.8	Confident	71.6	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-78.4	-14.7	178.7	0	0	0	0	0	113.2	A383 M384 N389 K390 L391 L430 Y434	A383-A387 VanDerWaalsContact O-CB 3.25Å; A383-A387 WeakPolarHBondContact O-CB 3.43Å; A383-A387 PolarHBondContact O-N 3.28Å; M384-A387 PolarHBondContact O-N 2.93Å; A387-N389 PolarHBondContact O-N 3.09Å; A387-K390 WeakPolarHBondContact O-CA 3.48Å; A387-K390 WeakPolarHBondContact O-CB 3.5Å; A387-K390 PolarHBondContact O-N 2.97Å; A387-L391 HydrophobicContact CB-CD1 3.48Å; A387-L391 VanDerWaalsContact CB-CD1 3.48Å; A387-L391 HydrophobicContact CB-CG 3.9Å; A387-L391 PolarHBondContact O-N 2.52Å; A387-L391 VanDerWaalsContact O-N 3.15Å; A387-L430 HydrophobicContact CB-CD2 3.8Å; A387-Y434 HydrophobicContact CB-CD1 4.47Å; A387-Y434 HydrophobicContact CB-CD2 3.6Å; A387-Y434 HydrophobicContact CB-CE2 4.02Å; A387-Y434 HydrophobicContact CB-CG 3.87Å
388	G	70.7	Confident	71.2	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-49.9	-49.9	-160.5	0	0	0	0	0	116.2	Y46 M384 N385 L386 K390 L391 Q392	Y46-G388 WeakPolarHBondContact OH-CA 3.4Å; M384-G388 VanDerWaalsContact O-CA 3.31Å; M384-G388 WeakPolarHBondContact O-CA 3.37Å; M384-G388 PolarHBondContact O-N 3.38Å; N385-G388 PolarHBondContact O-N 2.66Å; L386-G388 VanDerWaalsContact C-N 3.29Å; G388-K390 PolarHBondContact O-N 3.34Å; G388-L391 PolarHBondContact O-N 3.05Å; G388-Q392 WeakPolarHBondContact O-CG 3.42Å; G388-Q392 PolarHBondContact O-N 3.48Å
389	N	69.6	Low	70.8	Confident	144 Å²	144	51.9 Å²	51.9	77%	0.77	28%	0.275	S	S	*	.	H	α-helix	trans	-63.1	-27.1	-179.9	-66.9	-14.7	0	0	0	113.1	A387	A387-N389 PolarHBondContact O-N 3.09Å
390	K	71	Confident	70.2	Confident	124 Å²	124	56.8 Å²	56.8	54%	0.539	31%	0.305	S	S	.	.	H	α-helix	trans	-87.8	-23.2	179.7	-60.5	-175.9	-179.2	174.6	0	112.8	A387 G388 L430 Y434	A387-K390 WeakPolarHBondContact O-CA 3.48Å; A387-K390 WeakPolarHBondContact O-CB 3.5Å; A387-K390 PolarHBondContact O-N 2.97Å; G388-K390 PolarHBondContact O-N 3.34Å; K390-L430 HydrophobicContact CB-CD1 3.74Å; K390-L430 HydrophobicContact CB-CD2 4.21Å; K390-L430 HydrophobicContact CD-CD1 3.91Å; K390-L430 HydrophobicContact CG-CD1 4.48Å; K390-Y434 HydrophobicContact CD-CE2 4.24Å; K390-Y434 WeakPolarHBondContact CD-OH 3.43Å; K390-Y434 VanDerWaalsContact CE-OH 3.3Å; K390-Y434 WeakPolarHBondContact CE-OH 3.28Å; K390-Y434 PolarHBondContact NZ-OH 2.8Å
391	L	67.3	Low	69.2	Low	4 Å²	4	57.6 Å²	57.6	2%	0.021	31%	0.31	C	S	.	.	H	α-helix	trans	-86.6	-7.2	-178.3	-73.9	176.8	0	0	0	114.1	Y46 P99 A387 G388 V393 N427 L430 L431	Y46-L391 HydrophobicContact CE1-CB 4.46Å; Y46-L391 HydrophobicContact CE1-CD1 4.47Å; P99-L391 HydrophobicContact CB-CD1 4.12Å; P99-L391 HydrophobicContact CB-CD2 4.16Å; P99-L391 HydrophobicContact CG-CB 3.7Å; P99-L391 HydrophobicContact CG-CD1 4.07Å; P99-L391 HydrophobicContact CG-CD2 4.16Å; P99-L391 HydrophobicContact CG-CG 4.2Å; A387-L391 HydrophobicContact CB-CD1 3.48Å; A387-L391 VanDerWaalsContact CB-CD1 3.48Å; A387-L391 HydrophobicContact CB-CG 3.9Å; A387-L391 PolarHBondContact O-N 2.52Å; A387-L391 VanDerWaalsContact O-N 3.15Å; G388-L391 PolarHBondContact O-N 3.05Å; L391-V393 PolarHBondContact O-N 2.97Å; L391-V393 VanDerWaalsContact O-N 3.16Å; L391-N427 HydrophobicContact CD2-CB 3.92Å; L391-L430 HydrophobicContact CD2-CD2 3.76Å; L391-L430 HydrophobicContact CG-CD2 3.92Å; L391-L431 HydrophobicContact CD1-CD1 4.4Å
392	Q	59.7	Low	68.4	Low	140 Å²	140	57 Å²	57	65%	0.654	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-9.5	-177.5	-76.9	176.3	17.5	0	0	114.5	G388 P394	G388-Q392 WeakPolarHBondContact O-CG 3.42Å; G388-Q392 PolarHBondContact O-N 3.48Å; Q392-P394 VanDerWaalsContact O-CD 3.27Å; Q392-P394 WeakPolarHBondContact O-CD 3.45Å
393	V	59	Low	67.4	Low	99 Å²	99	63.8 Å²	63.8	60%	0.6	33%	0.328	S	S	*	.	S	Bend	trans	-74.4	116.7	175.9	-173	0	0	0	0	109.1	L391 E395 N427	L391-V393 PolarHBondContact O-N 2.97Å; L391-V393 VanDerWaalsContact O-N 3.16Å; V393-E395 PolarHBondContact O-N 3.23Å; V393-N427 PolarHBondContact O-ND2 3.21Å
394	P	57.7	Low	66.3	Low	95 Å²	95	67 Å²	67	62%	0.617	35%	0.35	S	S	*	.			trans	-65.9	107.9	178.2	-15.4	29.5	0	0	0	109.8	Q392	Q392-P394 VanDerWaalsContact O-CD 3.27Å; Q392-P394 WeakPolarHBondContact O-CD 3.45Å
395	E	65.8	Low	65.3	Low	54 Å²	54	67.4 Å²	67.4	25%	0.252	35%	0.354	S	S	.	.			trans	-117.5	112.3	174.8	-168.4	176	-156.2	0	0	108	V393 Y425 K426 N427	V393-E395 PolarHBondContact O-N 3.23Å; E395-Y425 HydrophobicContact CB-CE2 4.17Å; E395-Y425 HydrophobicContact CG-CD2 4.15Å; E395-Y425 HydrophobicContact CG-CE2 4.11Å; E395-K426 PolarHBondContact OE2-N 3Å; E395-N427 PolarHBondContact OE2-N 3.38Å
396	H	66	Low	64.3	Low	103 Å²	103	63.1 Å²	63.1	48%	0.477	33%	0.331	S	S	.	.			trans	-73.6	129	178	-79.4	-73.8	0	0	0	110.7	N97 T398	N97-H396 PolarHBondContact ND2-CE1 3.01Å; N97-H396 PolarHBondContact OD1-CE1 3.32Å; N97-H396 PolarHBondContact OD1-ND1 3.26Å; H396-T398 PolarHBondContact O-N 3.4Å
397	V	67.8	Low	62.8	Low	2 Å²	2	64 Å²	64	1%	0.012	34%	0.335	C	S	.	.			trans	-77.2	104.9	170.2	-178.9	0	0	0	0	108.1	L93 N94 I100 L172 L174 Y425	L93-V397 HydrophobicContact CB-CG1 4.37Å; N94-V397 PolarHBondContact OD1-O 2.9Å; I100-V397 HydrophobicContact CD1-CB 4.39Å; I100-V397 HydrophobicContact CD1-CG2 3.83Å; L172-V397 HydrophobicContact CB-CG1 4.44Å; L172-V397 HydrophobicContact CD1-CG1 4.27Å; L172-V397 HydrophobicContact CD2-CG1 4.25Å; L174-V397 HydrophobicContact CD2-CG2 4.19Å; V397-Y425 HydrophobicContact CG2-CD2 3.98Å; V397-Y425 HydrophobicContact CG2-CE1 4.19Å; V397-Y425 HydrophobicContact CG2-CE2 3.53Å; V397-Y425 HydrophobicContact CG2-CG 4.46Å
398	T	67.9	Low	61.5	Low	57 Å²	57	69 Å²	69	35%	0.35	36%	0.357	S	S	.	.			trans	-89	116.2	177.7	57.9	0	0	0	0	110.9	H396 T400 P401	H396-T398 PolarHBondContact O-N 3.4Å; T398-T400 VanDerWaalsContact C-N 3.29Å; T398-T400 PolarHBondContact O-N 3.29Å; T398-P401 WeakPolarHBondContact O-CD 3.47Å
399	C	68.5	Low	60.2	Low	7 Å²	7	71.4 Å²	71.4	5%	0.047	37%	0.372	C	S	.	.			trans	-79.1	-0.3	177.3	-95.7	0	0	0	0	115.9	C90 N94 P401 V402 R403	C90-C399 WeakPolarHBondContact CA-SG 3.35Å; C90-C399 HydrophobicContact CB-CB 3.4Å; C90-C399 VanDerWaalsContact CB-CB 3.4Å; C90-C399 WeakPolarHBondContact CB-SG 3.25Å; C90-C399 WeakPolarHBondContact SG-CB 3.48Å; C90-C399 CovalentContact SG-SG 2.04Å; C90-C399 PolarHBondContact SG-SG 3.04Å; N94-C399 PolarHBondContact OD1-N 3.26Å; C399-P401 VanDerWaalsContact C-N 3.35Å; C399-V402 PolarHBondContact O-N 2.99Å; C399-V402 VanDerWaalsContact O-N 3.11Å; C399-R403 PolarHBondContact O-N 3.38Å
400	T	63	Low	59.1	Low	106 Å²	106	71.4 Å²	71.4	65%	0.65	38%	0.38	S	S	*	.	H	α-helix	trans	-51.8	-40.3	179.7	31.4	0	0	0	0	114.6	T398 V402 R403 S404	T398-T400 VanDerWaalsContact C-N 3.29Å; T398-T400 PolarHBondContact O-N 3.29Å; T400-V402 PolarHBondContact O-N 3.17Å; T400-R403 PolarHBondContact O-N 3.31Å; T400-S404 PolarHBondContact O-N 2.92Å
401	P	56	Low	57.7	Low	17 Å²	17	73.3 Å²	73.3	11%	0.11	39%	0.388	C	S	.	.	H	α-helix	trans	-62.9	-38.7	177	-21.9	34.8	0	0	0	113	T398 C399 S404 S405 P421 L423	T398-P401 WeakPolarHBondContact O-CD 3.47Å; C399-P401 VanDerWaalsContact C-N 3.35Å; P401-S404 PolarHBondContact O-N 3.45Å; P401-S404 PolarHBondContact O-OG 2.98Å; P401-S405 PolarHBondContact O-N 3.27Å; P401-S405 PolarHBondContact O-OG 3.22Å; P401-P421 HydrophobicContact CB-CB 4.3Å; P401-P421 HydrophobicContact CB-CG 3.91Å; P401-L423 HydrophobicContact CG-CB 4.44Å; P401-L423 HydrophobicContact CG-CD1 4.04Å
402	V	58.8	Low	56.7	Low	2 Å²	2	74 Å²	74	1%	0.012	40%	0.397	C	S	.	.	H	α-helix	trans	-64.7	-45.3	-177.8	-179.9	0	0	0	0	110.6	F86 R171 L172 C399 T400 S404 S405 L406	F86-V402 HydrophobicContact CD1-CG1 3.52Å; F86-V402 HydrophobicContact CE1-CG1 3.79Å; F86-V402 HydrophobicContact CG-CG1 4.3Å; R171-V402 HydrophobicContact CB-CG2 3.98Å; L172-V402 HydrophobicContact CD1-CG2 4.48Å; L172-V402 HydrophobicContact CD2-CG2 3.48Å; L172-V402 VanDerWaalsContact CD2-CG2 3.48Å; L172-V402 HydrophobicContact CG-CG2 3.88Å; C399-V402 PolarHBondContact O-N 2.99Å; C399-V402 VanDerWaalsContact O-N 3.11Å; T400-V402 PolarHBondContact O-N 3.17Å; V402-S404 VanDerWaalsContact C-N 3.29Å; V402-S404 PolarHBondContact O-N 3.32Å; V402-S405 PolarHBondContact O-N 2.88Å; V402-L406 HydrophobicContact CG1-CD1 4.05Å; V402-L406 HydrophobicContact CG1-CG 4.48Å; V402-L406 PolarHBondContact O-N 2.97Å
403	R	57.9	Low	55.9	Low	176 Å²	176	68.9 Å²	68.9	66%	0.664	37%	0.373	S	S	*	.	H	α-helix	trans	-60.7	-37.8	179.8	-161.8	174.6	-171.8	164.8	3.1	112.2	C399 T400 S405	C399-R403 PolarHBondContact O-N 3.38Å; T400-R403 PolarHBondContact O-N 3.31Å; R403-S405 VanDerWaalsContact C-N 3.3Å; R403-S405 PolarHBondContact O-N 2.95Å
404	S	55.9	Low	55.5	Low	67 Å²	67	65.5 Å²	65.5	47%	0.469	35%	0.352	S	S	.	.	H	α-helix	trans	-71.3	-23.1	176.5	70.7	0	0	0	0	114	T400 P401 V402	T400-S404 PolarHBondContact O-N 2.92Å; P401-S404 PolarHBondContact O-N 3.45Å; P401-S404 PolarHBondContact O-OG 2.98Å; V402-S404 VanDerWaalsContact C-N 3.29Å; V402-S404 PolarHBondContact O-N 3.32Å
405	S	54.5	Low	55	Low	12 Å²	12	64.2 Å²	64.2	8%	0.084	34%	0.342	C	S	.	.	H	α-helix	trans	-95.7	-7.7	-174.5	-55.3	0	0	0	0	113.8	P401 V402 R403 L407	P401-S405 PolarHBondContact O-N 3.27Å; P401-S405 PolarHBondContact O-OG 3.22Å; V402-S405 PolarHBondContact O-N 2.88Å; R403-S405 VanDerWaalsContact C-N 3.3Å; R403-S405 PolarHBondContact O-N 2.95Å; S405-L407 VanDerWaalsContact C-N 3.33Å; S405-L407 PolarHBondContact O-N 2.88Å
406	L	56.6	Low	54.4	Low	17 Å²	17	62.5 Å²	62.5	9%	0.089	34%	0.336	C	S	.	.			trans	-92.9	60.3	175.1	-67.5	169	0	0	0	109.8	I82 F86 V402 K408 L414	I82-L406 HydrophobicContact CG2-CD2 4.39Å; F86-L406 HydrophobicContact CB-CD1 3.68Å; F86-L406 HydrophobicContact CD1-CD1 4.25Å; F86-L406 HydrophobicContact CD2-CD1 3.65Å; F86-L406 HydrophobicContact CD2-CD2 3.96Å; F86-L406 HydrophobicContact CD2-CG 4.46Å; F86-L406 HydrophobicContact CE2-CD1 4.36Å; F86-L406 HydrophobicContact CE2-CD2 3.92Å; F86-L406 HydrophobicContact CG-CD1 3.61Å; V402-L406 HydrophobicContact CG1-CD1 4.05Å; V402-L406 HydrophobicContact CG1-CG 4.48Å; V402-L406 PolarHBondContact O-N 2.97Å; L406-K408 PolarHBondContact O-N 3.38Å; L406-L414 HydrophobicContact CB-CD2 4.27Å; L406-L414 HydrophobicContact CD2-CD2 4.31Å
407	L	48.3	Very low	53.3	Low	116 Å²	116	62.2 Å²	62.2	61%	0.607	34%	0.335	S	S	*	.			trans	-78.8	112.8	176.6	-73.2	165.8	0	0	0	109.7	S405 T409	S405-L407 VanDerWaalsContact C-N 3.33Å; S405-L407 PolarHBondContact O-N 2.88Å; L407-T409 PolarHBondContact O-N 3.09Å
408	K	49.2	Very low	52.3	Low	105 Å²	105	69 Å²	69	46%	0.457	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-64.8	110.1	165.7	-81.9	170.8	173.9	154.3	0	107.9	D81 E83 L406 L414	D81-K408 IonicContact OD1-NZ 2.88Å; D81-K408 PolarHBondContact OD1-NZ 2.69Å; D81-K408 IonicContact OD2-NZ 2.78Å; D81-K408 PolarHBondContact OD2-NZ 3.27Å; E83-K408 WeakPolarHBondContact OE2-CE 3.2Å; E83-K408 IonicContact OE2-NZ 3.74Å; E83-K408 PolarHBondContact OE2-NZ 3.01Å; L406-K408 PolarHBondContact O-N 3.38Å; K408-L414 HydrophobicContact CG-CD2 4.26Å
409	T	43.6	Very low	51.3	Low	53 Å²	53	72.4 Å²	72.4	33%	0.325	38%	0.38	S	S	.	.			trans	-65.5	155.8	164.8	59.2	0	0	0	0	109.4	L407 K411 G412 L413	L407-T409 PolarHBondContact O-N 3.09Å; T409-K411 PolarHBondContact O-N 3.39Å; T409-G412 PolarHBondContact O-N 2.68Å; T409-L413 PolarHBondContact N-O 3.29Å; T409-L413 VanDerWaalsContact N-O 3.14Å; T409-L413 WeakPolarHBondContact OG1-CA 3.49Å; T409-L413 VanDerWaalsContact OG1-CB 3.25Å; T409-L413 WeakPolarHBondContact OG1-CB 3.39Å; T409-L413 PolarHBondContact OG1-N 3.46Å; T409-L413 PolarHBondContact OG1-O 2.87Å
410	P	46.9	Very low	50.6	Low	144 Å²	144	72.3 Å²	72.3	94%	0.935	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-20.4	178.3	-25.3	33	0	0	0	114	G412	P410-G412 VanDerWaalsContact C-N 3.35Å
411	K	41	Very low	50	Low	163 Å²	163	70.8 Å²	70.8	71%	0.709	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	9.9	176.5	-65	-172.6	178.1	-177.5	0	114.3	T409 L413	T409-K411 PolarHBondContact O-N 3.39Å; K411-L413 PolarHBondContact O-N 3.12Å
412	G	47	Very low	49.8	Very low	20 Å²	20	74.7 Å²	74.7	21%	0.206	39%	0.389	C	S	.	.	S	Bend	trans	71.9	7.3	180	0	0	0	0	0	114.6	H210 T409 P410	H210-G412 PolarHBondContact CE1-O 2.7Å; T409-G412 PolarHBondContact O-N 2.68Å; P410-G412 VanDerWaalsContact C-N 3.35Å
413	L	43.4	Very low	49.7	Very low	32 Å²	32	76.8 Å²	76.8	17%	0.168	40%	0.4	C	S	.	.			trans	-77.4	123.8	174.4	-115.3	93.2	0	0	0	109.5	N208 T409 K411 V415	N208-L413 HydrophobicContact CB-CD1 3.43Å; N208-L413 VanDerWaalsContact CB-CD1 3.43Å; T409-L413 PolarHBondContact N-O 3.29Å; T409-L413 VanDerWaalsContact N-O 3.14Å; T409-L413 WeakPolarHBondContact OG1-CA 3.49Å; T409-L413 VanDerWaalsContact OG1-CB 3.25Å; T409-L413 WeakPolarHBondContact OG1-CB 3.39Å; T409-L413 PolarHBondContact OG1-N 3.46Å; T409-L413 PolarHBondContact OG1-O 2.87Å; K411-L413 PolarHBondContact O-N 3.12Å; L413-V415 HydrophobicContact CB-CG2 4.19Å; L413-V415 HydrophobicContact CD2-CG2 3.65Å; L413-V415 HydrophobicContact CG-CG2 4.48Å; L413-V415 PolarHBondContact O-N 3.49Å
414	L	50.8	Low	49.8	Very low	28 Å²	28	72.9 Å²	72.9	15%	0.147	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-87.1	93.2	161.4	-73.5	164.5	0	0	0	107.5	I82 L406 K408	I82-L414 HydrophobicContact CB-CD1 3.49Å; I82-L414 VanDerWaalsContact CB-CD1 3.49Å; I82-L414 HydrophobicContact CD1-CD1 3.49Å; I82-L414 VanDerWaalsContact CD1-CD1 3.49Å; I82-L414 HydrophobicContact CG1-CD1 4.04Å; I82-L414 HydrophobicContact CG2-CD1 3.59Å; L406-L414 HydrophobicContact CB-CD2 4.27Å; L406-L414 HydrophobicContact CD2-CD2 4.31Å; K408-L414 HydrophobicContact CG-CD2 4.26Å
415	V	45.8	Very low	50.3	Low	68 Å²	68	69.8 Å²	69.8	41%	0.412	37%	0.373	S	S	.	.			trans	-87.1	120.9	171.3	179.9	0	0	0	0	107.5	L413 H417	L413-V415 HydrophobicContact CB-CG2 4.19Å; L413-V415 HydrophobicContact CD2-CG2 3.65Å; L413-V415 HydrophobicContact CG-CG2 4.48Å; L413-V415 PolarHBondContact O-N 3.49Å; V415-H417 PolarHBondContact O-N 3.28Å; V415-H417 VanDerWaalsContact O-N 3.13Å
416	S	53.4	Low	50.9	Low	18 Å²	18	76.1 Å²	76.1	13%	0.126	40%	0.4	C	S	.	.			trans	-54.5	114.7	167	-172.7	0	0	0	0	109	K418	S416-K418 PolarHBondContact O-N 3.24Å
417	H	43.9	Very low	51.7	Low	97 Å²	97	76 Å²	76	45%	0.449	40%	0.399	S	S	.	.			trans	-62.3	121.1	178.2	-165	-111	0	0	0	108.5	V415 N419 G420	V415-H417 PolarHBondContact O-N 3.28Å; V415-H417 VanDerWaalsContact O-N 3.13Å; H417-N419 WeakPolarHBondContact ND1-CA 3.27Å; H417-N419 PolarHBondContact ND1-N 3.13Å; H417-N419 PolarHBondContact ND1-O 2.92Å; H417-N419 PolarHBondContact O-N 2.94Å; H417-G420 PolarHBondContact ND1-N 3.14Å; H417-G420 PolarHBondContact O-N 2.88Å
418	K	46.7	Very low	52.9	Low	145 Å²	145	70.5 Å²	70.5	63%	0.63	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-23.7	174.6	-77	-170.3	171.6	-177.7	0	112.7	Y217 S416	Y217-K418 WeakPolarHBondContact CD2-O 3.45Å; Y217-K418 HydrophobicContact CE2-CB 3.7Å; Y217-K418 HydrophobicContact CE2-CD 4.45Å; Y217-K418 HydrophobicContact CE2-CG 3.88Å; Y217-K418 WeakPolarHBondContact CE2-O 3.44Å; S416-K418 PolarHBondContact O-N 3.24Å
419	N	46.9	Very low	54.1	Low	127 Å²	127	69.7 Å²	69.7	68%	0.679	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	32.1	-178.1	-46.2	-25.8	0	0	0	112	H417	H417-N419 WeakPolarHBondContact ND1-CA 3.27Å; H417-N419 PolarHBondContact ND1-N 3.13Å; H417-N419 PolarHBondContact ND1-O 2.92Å; H417-N419 PolarHBondContact O-N 2.94Å
420	G	53.5	Low	55.8	Low	6 Å²	6	69.2 Å²	69.2	6%	0.062	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-62.3	137.4	176.8	0	0	0	0	0	111.1	H417 H422	H417-G420 PolarHBondContact ND1-N 3.14Å; H417-G420 PolarHBondContact O-N 2.88Å; G420-H422 PolarHBondContact O-N 3.18Å
421	P	49.8	Very low	57.2	Low	74 Å²	74	62.5 Å²	62.5	48%	0.481	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-57.4	123.1	179	18.2	-28.9	0	0	0	111.4	P401	P401-P421 HydrophobicContact CB-CB 4.3Å; P401-P421 HydrophobicContact CB-CG 3.91Å
422	H	52.5	Low	59.1	Low	98 Å²	98	56.5 Å²	56.5	45%	0.454	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-83.2	123.3	173.1	-67.8	-75.7	0	0	0	109.7	N215 S218 G420	N215-H422 PolarHBondContact ND2-CE1 3.1Å; N215-H422 VanDerWaalsContact ND2-CE1 3.29Å; S218-H422 VanDerWaalsContact CB-CE1 3.41Å; S218-H422 WeakPolarHBondContact CB-CE1 3.35Å; S218-H422 WeakPolarHBondContact CB-ND1 3.37Å; S218-H422 PolarHBondContact OG-CE1 2.81Å; G420-H422 PolarHBondContact O-N 3.18Å
423	L	57.1	Low	60.7	Low	47 Å²	47	59.7 Å²	59.7	25%	0.246	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-95.9	118.2	169.9	-156.5	83.7	0	0	0	108.5	Q173 P401 Y425	Q173-L423 WeakPolarHBondContact CG-O 3.46Å; P401-L423 HydrophobicContact CG-CB 4.44Å; P401-L423 HydrophobicContact CG-CD1 4.04Å; L423-Y425 PolarHBondContact O-N 3.27Å; L423-Y425 VanDerWaalsContact O-N 3.14Å
424	T	59.2	Low	62.6	Low	93 Å²	93	59.8 Å²	59.8	57%	0.571	31%	0.308	S	S	*	.			trans	-80.3	90.8	171.7	52.5	0	0	0	0	109.2	K426	T424-K426 PolarHBondContact O-N 2.96Å
425	Y	66.4	Low	63.9	Low	2 Å²	2	58.6 Å²	58.6	1%	0.008	30%	0.302	C	S	.	.			trans	-77.1	101.1	169.7	-178	-125.3	0	0	0	109.1	L172 L174 E395 V397 L423 N427 G428 Q429	L172-Y425 VanDerWaalsContact O-CB 3.31Å; L172-Y425 WeakPolarHBondContact O-CB 3.25Å; L174-Y425 HydrophobicContact CD2-CD1 3.63Å; L174-Y425 HydrophobicContact CD2-CE1 3.54Å; E395-Y425 HydrophobicContact CB-CE2 4.17Å; E395-Y425 HydrophobicContact CG-CD2 4.15Å; E395-Y425 HydrophobicContact CG-CE2 4.11Å; V397-Y425 HydrophobicContact CG2-CD2 3.98Å; V397-Y425 HydrophobicContact CG2-CE1 4.19Å; V397-Y425 HydrophobicContact CG2-CE2 3.53Å; V397-Y425 HydrophobicContact CG2-CG 4.46Å; L423-Y425 PolarHBondContact O-N 3.27Å; L423-Y425 VanDerWaalsContact O-N 3.14Å; Y425-N427 HydrophobicContact CD2-CB 4.47Å; Y425-N427 HydrophobicContact CE1-CB 3.9Å; Y425-N427 HydrophobicContact CE2-CB 3.85Å; Y425-N427 PolarHBondContact O-N 3.09Å; Y425-G428 VanDerWaalsContact CD1-CA 3.42Å; Y425-G428 VanDerWaalsContact CE1-N 3.3Å; Y425-G428 PolarHBondContact O-N 2.93Å; Y425-G428 VanDerWaalsContact O-N 3.15Å; Y425-Q429 PolarHBondContact O-N 3.36Å
426	K	67.5	Low	65.4	Low	146 Å²	146	57.5 Å²	57.5	64%	0.635	29%	0.293	S	S	*	.	H	α-helix	trans	-64.3	-41.6	-172.4	-70.4	-178.7	179.5	177.7	0	111.6	E395 T424 G428 Q429 L430	E395-K426 PolarHBondContact OE2-N 3Å; T424-K426 PolarHBondContact O-N 2.96Å; K426-G428 PolarHBondContact O-N 3.06Å; K426-Q429 PolarHBondContact O-N 2.93Å; K426-L430 WeakPolarHBondContact O-CB 3.38Å; K426-L430 PolarHBondContact O-N 3.22Å
427	N	72.3	Confident	66.6	Low	14 Å²	14	62.1 Å²	62.1	8%	0.075	31%	0.313	C	S	.	.	H	α-helix	trans	-59.1	-33.1	176.6	-77.8	-12.8	0	0	0	112.3	L391 V393 E395 Y425 L431	L391-N427 HydrophobicContact CD2-CB 3.92Å; V393-N427 PolarHBondContact O-ND2 3.21Å; E395-N427 PolarHBondContact OE2-N 3.38Å; Y425-N427 HydrophobicContact CD2-CB 4.47Å; Y425-N427 HydrophobicContact CE1-CB 3.9Å; Y425-N427 HydrophobicContact CE2-CB 3.85Å; Y425-N427 PolarHBondContact O-N 3.09Å; N427-L431 VanDerWaalsContact O-CB 3.3Å; N427-L431 WeakPolarHBondContact O-CB 3.37Å; N427-L431 PolarHBondContact O-N 2.77Å
428	G	73.2	Confident	68.3	Low	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-70.8	-45.9	178.9	0	0	0	0	0	113.6	Q173 Y425 K426 L430 L431 H432	Q173-G428 WeakPolarHBondContact O-CA 3.48Å; Y425-G428 VanDerWaalsContact CD1-CA 3.42Å; Y425-G428 VanDerWaalsContact CE1-N 3.3Å; Y425-G428 PolarHBondContact O-N 2.93Å; Y425-G428 VanDerWaalsContact O-N 3.15Å; K426-G428 PolarHBondContact O-N 3.06Å; G428-L430 VanDerWaalsContact C-N 3.32Å; G428-L430 PolarHBondContact O-N 3.05Å; G428-L431 PolarHBondContact O-N 3.26Å; G428-H432 WeakPolarHBondContact O-CB 3.37Å; G428-H432 PolarHBondContact O-N 3.35Å
429	Q	76.4	Confident	69.5	Low	89 Å²	89	51 Å²	51	42%	0.416	26%	0.264	S	S	.	.	H	α-helix	trans	-64.2	-38.5	175.2	-69.1	-175.8	-18.1	0	0	112.1	L221 Y425 K426 H432 T433	L221-Q429 HydrophobicContact CD1-CG 4.14Å; Y425-Q429 PolarHBondContact O-N 3.36Å; K426-Q429 PolarHBondContact O-N 2.93Å; Q429-H432 PolarHBondContact O-N 3.09Å; Q429-T433 PolarHBondContact O-N 2.89Å; Q429-T433 PolarHBondContact O-OG1 3.3Å
430	L	78.2	Confident	70.6	Confident	43 Å²	43	49.2 Å²	49.2	23%	0.225	25%	0.251	C	S	.	.	H	α-helix	trans	-62.4	-50.4	175.4	-173.1	143.3	0	0	0	110.6	A387 K390 L391 K426 G428 H432 T433 Y434	A387-L430 HydrophobicContact CB-CD2 3.8Å; K390-L430 HydrophobicContact CB-CD1 3.74Å; K390-L430 HydrophobicContact CB-CD2 4.21Å; K390-L430 HydrophobicContact CD-CD1 3.91Å; K390-L430 HydrophobicContact CG-CD1 4.48Å; L391-L430 HydrophobicContact CD2-CD2 3.76Å; L391-L430 HydrophobicContact CG-CD2 3.92Å; K426-L430 WeakPolarHBondContact O-CB 3.38Å; K426-L430 PolarHBondContact O-N 3.22Å; G428-L430 VanDerWaalsContact C-N 3.32Å; G428-L430 PolarHBondContact O-N 3.05Å; L430-H432 VanDerWaalsContact C-N 3.35Å; L430-H432 PolarHBondContact O-N 2.87Å; L430-T433 WeakPolarHBondContact O-CB 3.14Å; L430-T433 PolarHBondContact O-N 2.77Å; L430-T433 VanDerWaalsContact O-N 3.14Å; L430-Y434 HydrophobicContact CD2-CD2 3.6Å; L430-Y434 HydrophobicContact CD2-CE2 3.61Å; L430-Y434 HydrophobicContact CG-CD2 4.03Å; L430-Y434 HydrophobicContact CG-CE2 3.89Å; L430-Y434 VanDerWaalsContact O-CD2 3.28Å; L430-Y434 WeakPolarHBondContact O-CD2 3.37Å; L430-Y434 PolarHBondContact O-N 3.05Å; L430-Y434 VanDerWaalsContact O-N 3.08Å
431	L	76.9	Confident	71.4	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-62.2	-41.2	178.8	-176.2	58.2	0	0	0	111.8	A101 P175 M384 L391 N427 G428 T433 Y434 I435	A101-L431 HydrophobicContact CB-CD2 3.94Å; P175-L431 HydrophobicContact CG-CB 4.14Å; P175-L431 HydrophobicContact CG-CD2 3.76Å; P175-L431 HydrophobicContact CG-CG 3.99Å; M384-L431 HydrophobicContact CG-CD1 3.91Å; L391-L431 HydrophobicContact CD1-CD1 4.4Å; N427-L431 VanDerWaalsContact O-CB 3.3Å; N427-L431 WeakPolarHBondContact O-CB 3.37Å; N427-L431 PolarHBondContact O-N 2.77Å; G428-L431 PolarHBondContact O-N 3.26Å; L431-T433 VanDerWaalsContact C-N 3.29Å; L431-T433 PolarHBondContact O-N 2.9Å; L431-Y434 PolarHBondContact O-N 3.03Å; L431-I435 HydrophobicContact CD1-CD1 4.21Å; L431-I435 HydrophobicContact CD1-CG1 4.26Å; L431-I435 HydrophobicContact CG-CD1 3.87Å; L431-I435 HydrophobicContact CG-CG1 4.39Å; L431-I435 VanDerWaalsContact O-CG1 3.26Å; L431-I435 WeakPolarHBondContact O-CG1 3.4Å; L431-I435 PolarHBondContact O-N 3.37Å
432	H	80.4	Confident	72.2	Confident	38 Å²	38	54.3 Å²	54.3	18%	0.176	27%	0.273	C	S	.	.	H	α-helix	trans	-56.1	-42.9	173.1	-179.7	78.9	0	0	0	112.2	P175 L221 H223 G428 Q429 L430 I435 N436	P175-H432 HydrophobicContact CB-CB 4.37Å; L221-H432 HydrophobicContact CB-CB 4.33Å; L221-H432 HydrophobicContact CD1-CB 4.18Å; H223-H432 AromaticContact CD2-ND1 3.74Å; H223-H432 AromaticContact CE1-CE1 3.2Å; H223-H432 PolarHBondContact CE1-CE1 3.38Å; H223-H432 AromaticContact CE1-CG 3.7Å; H223-H432 AromaticContact CE1-ND1 3.01Å; H223-H432 PolarHBondContact CE1-ND1 3.28Å; H223-H432 AromaticContact CE1-NE2 3.96Å; H223-H432 PolarHBondContact CE1-O 3.47Å; H223-H432 VanDerWaalsContact CE1-O 3.26Å; H223-H432 AromaticContact ND1-CE1 3.82Å; H223-H432 AromaticContact ND1-ND1 3.92Å; H223-H432 AromaticContact NE2-CE1 3.51Å; H223-H432 AromaticContact NE2-CG 3.56Å; H223-H432 AromaticContact NE2-ND1 2.83Å; H223-H432 PolarHBondContact NE2-ND1 2.95Å; G428-H432 WeakPolarHBondContact O-CB 3.37Å; G428-H432 PolarHBondContact O-N 3.35Å; Q429-H432 PolarHBondContact O-N 3.09Å; L430-H432 VanDerWaalsContact C-N 3.35Å; L430-H432 PolarHBondContact O-N 2.87Å; H432-I435 PolarHBondContact O-N 3.42Å; H432-N436 PolarHBondContact NE2-ND2 2.78Å; H432-N436 VanDerWaalsContact NE2-ND2 3.14Å; H432-N436 WeakPolarHBondContact O-CB 3.46Å; H432-N436 PolarHBondContact O-N 3.13Å
433	T	81.3	Confident	72.8	Confident	86 Å²	86	50.1 Å²	50.1	53%	0.528	25%	0.254	S	S	.	.	H	α-helix	trans	-64.3	-44.6	178.4	-54.2	0	0	0	0	111.7	Q429 L430 L431 N436 Q437	Q429-T433 PolarHBondContact O-N 2.89Å; Q429-T433 PolarHBondContact O-OG1 3.3Å; L430-T433 WeakPolarHBondContact O-CB 3.14Å; L430-T433 PolarHBondContact O-N 2.77Å; L430-T433 VanDerWaalsContact O-N 3.14Å; L431-T433 VanDerWaalsContact C-N 3.29Å; L431-T433 PolarHBondContact O-N 2.9Å; T433-N436 PolarHBondContact O-N 3.32Å; T433-Q437 PolarHBondContact O-N 2.77Å
434	Y	81.9	Confident	72.7	Confident	35 Å²	35	49.5 Å²	49.5	14%	0.137	26%	0.259	C	S	.	.	H	α-helix	trans	-68.3	-39.1	178.1	-82.4	-77.8	0	0	0	112.6	L386 A387 K390 L430 L431 N436 Q437 V438	L386-Y434 HydrophobicContact CB-CD1 3.84Å; L386-Y434 HydrophobicContact CB-CE1 4.07Å; A387-Y434 HydrophobicContact CB-CD1 4.47Å; A387-Y434 HydrophobicContact CB-CD2 3.6Å; A387-Y434 HydrophobicContact CB-CE2 4.02Å; A387-Y434 HydrophobicContact CB-CG 3.87Å; K390-Y434 HydrophobicContact CD-CE2 4.24Å; K390-Y434 WeakPolarHBondContact CD-OH 3.43Å; K390-Y434 VanDerWaalsContact CE-OH 3.3Å; K390-Y434 WeakPolarHBondContact CE-OH 3.28Å; K390-Y434 PolarHBondContact NZ-OH 2.8Å; L430-Y434 HydrophobicContact CD2-CD2 3.6Å; L430-Y434 HydrophobicContact CD2-CE2 3.61Å; L430-Y434 HydrophobicContact CG-CD2 4.03Å; L430-Y434 HydrophobicContact CG-CE2 3.89Å; L430-Y434 VanDerWaalsContact O-CD2 3.28Å; L430-Y434 WeakPolarHBondContact O-CD2 3.37Å; L430-Y434 PolarHBondContact O-N 3.05Å; L430-Y434 VanDerWaalsContact O-N 3.08Å; L431-Y434 PolarHBondContact O-N 3.03Å; Y434-N436 VanDerWaalsContact C-N 3.35Å; Y434-Q437 WeakPolarHBondContact O-CB 3.26Å; Y434-Q437 PolarHBondContact O-N 2.73Å; Y434-V438 WeakPolarHBondContact O-CG2 3.49Å; Y434-V438 PolarHBondContact O-N 3.28Å
435	I	77.8	Confident	72.4	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.015	24%	0.244	C	C	.	.	H	α-helix	trans	-60.2	-47.8	173.9	-68	166.6	0	0	0	109.7	P175 V177 H223 L380 A383 L431 H432 Q437 V438 L439	P175-I435 HydrophobicContact CB-CD1 4.25Å; V177-I435 HydrophobicContact CG2-CD1 4.44Å; H223-I435 HydrophobicContact CB-CG2 4.44Å; L380-I435 HydrophobicContact CD2-CD1 3.58Å; L380-I435 HydrophobicContact CD2-CG1 4.01Å; A383-I435 HydrophobicContact CB-CB 4.45Å; A383-I435 HydrophobicContact CB-CG1 3.75Å; L431-I435 HydrophobicContact CD1-CD1 4.21Å; L431-I435 HydrophobicContact CD1-CG1 4.26Å; L431-I435 HydrophobicContact CG-CD1 3.87Å; L431-I435 HydrophobicContact CG-CG1 4.39Å; L431-I435 VanDerWaalsContact O-CG1 3.26Å; L431-I435 WeakPolarHBondContact O-CG1 3.4Å; L431-I435 PolarHBondContact O-N 3.37Å; H432-I435 PolarHBondContact O-N 3.42Å; I435-Q437 VanDerWaalsContact C-N 3.3Å; I435-Q437 PolarHBondContact O-N 2.97Å; I435-V438 PolarHBondContact O-N 3.24Å; I435-L439 HydrophobicContact CG2-CD1 3.71Å; I435-L439 HydrophobicContact CG2-CG 4.18Å; I435-L439 VanDerWaalsContact O-CG 3.3Å; I435-L439 WeakPolarHBondContact O-CG 3.42Å; I435-L439 PolarHBondContact O-N 3.13Å
436	N	77.6	Confident	71.7	Confident	44 Å²	44	49.3 Å²	49.3	24%	0.235	25%	0.25	C	S	.	.	H	α-helix	trans	-56.5	-44.8	175.2	-83.2	-24.4	0	0	0	111.7	H223 H432 T433 Y434 V438 L439 H440	H223-N436 PolarHBondContact CE1-OD1 3.22Å; H223-N436 PolarHBondContact ND1-OD1 3.34Å; H432-N436 PolarHBondContact NE2-ND2 2.78Å; H432-N436 VanDerWaalsContact NE2-ND2 3.14Å; H432-N436 WeakPolarHBondContact O-CB 3.46Å; H432-N436 PolarHBondContact O-N 3.13Å; T433-N436 PolarHBondContact O-N 3.32Å; Y434-N436 VanDerWaalsContact C-N 3.35Å; N436-V438 VanDerWaalsContact C-N 3.34Å; N436-V438 PolarHBondContact O-N 2.75Å; N436-L439 PolarHBondContact O-N 2.77Å; N436-H440 WeakPolarHBondContact O-CB 3.42Å; N436-H440 PolarHBondContact O-N 3Å; N436-H440 PolarHBondContact O-ND1 3.42Å
437	Q	80.2	Confident	71	Confident	116 Å²	116	46.2 Å²	46.2	54%	0.542	24%	0.24	S	C	.	.	H	α-helix	trans	-59.3	-44.3	178.9	-172.6	179.7	0.6	0	0	112.2	T433 Y434 I435 S441	T433-Q437 PolarHBondContact O-N 2.77Å; Y434-Q437 WeakPolarHBondContact O-CB 3.26Å; Y434-Q437 PolarHBondContact O-N 2.73Å; I435-Q437 VanDerWaalsContact C-N 3.3Å; I435-Q437 PolarHBondContact O-N 2.97Å; Q437-S441 WeakPolarHBondContact O-CB 3.49Å; Q437-S441 PolarHBondContact O-N 3.19Å; Q437-S441 VanDerWaalsContact O-N 3.13Å; Q437-S441 PolarHBondContact O-OG 3.43Å
438	V	78.3	Confident	69.9	Low	3 Å²	3	50.6 Å²	50.6	2%	0.018	27%	0.272	C	S	.	.	H	α-helix	trans	-65.3	-46	177.7	-179.5	0	0	0	0	110.7	H379 T382 A383 L386 Y434 I435 N436 H440 S441 R442	H379-V438 HydrophobicContact CB-CG1 4.31Å; T382-V438 HydrophobicContact CG2-CG1 4.1Å; T382-V438 HydrophobicContact CG2-CG2 4.01Å; A383-V438 HydrophobicContact CB-CG2 3.97Å; L386-V438 HydrophobicContact CD1-CG2 3.84Å; Y434-V438 WeakPolarHBondContact O-CG2 3.49Å; Y434-V438 PolarHBondContact O-N 3.28Å; I435-V438 PolarHBondContact O-N 3.24Å; N436-V438 VanDerWaalsContact C-N 3.34Å; N436-V438 PolarHBondContact O-N 2.75Å; V438-H440 PolarHBondContact O-N 3.35Å; V438-S441 PolarHBondContact O-N 3.34Å; V438-S441 PolarHBondContact O-OG 3.06Å; V438-R442 PolarHBondContact O-N 3.33Å; V438-R442 VanDerWaalsContact O-N 3.16Å
439	L	72.3	Confident	68.6	Low	6 Å²	6	55 Å²	55	3%	0.031	30%	0.303	C	S	.	.	H	α-helix	trans	-60.3	-45.5	178.6	-68.4	171.8	0	0	0	112.4	H223 I225 I435 N436 S441 R442 I443	H223-L439 HydrophobicContact CB-CD1 4.1Å; I225-L439 HydrophobicContact CD1-CD1 4.18Å; I225-L439 HydrophobicContact CD1-CD2 3.73Å; I225-L439 HydrophobicContact CG1-CD1 4.24Å; I225-L439 HydrophobicContact CG1-CD2 4.06Å; I435-L439 HydrophobicContact CG2-CD1 3.71Å; I435-L439 HydrophobicContact CG2-CG 4.18Å; I435-L439 VanDerWaalsContact O-CG 3.3Å; I435-L439 WeakPolarHBondContact O-CG 3.42Å; I435-L439 PolarHBondContact O-N 3.13Å; N436-L439 PolarHBondContact O-N 2.77Å; L439-S441 VanDerWaalsContact C-N 3.29Å; L439-S441 PolarHBondContact O-N 3.24Å; L439-R442 PolarHBondContact O-N 3.42Å; L439-I443 HydrophobicContact CD2-CD1 3.59Å; L439-I443 PolarHBondContact O-N 2.82Å
440	H	69.9	Low	67.2	Low	88 Å²	88	56.8 Å²	56.8	41%	0.407	31%	0.309	S	S	.	.	H	α-helix	trans	-62	-38	177.8	-77.5	74.3	0	0	0	111.8	N436 V438 Y445	N436-H440 WeakPolarHBondContact O-CB 3.42Å; N436-H440 PolarHBondContact O-N 3Å; N436-H440 PolarHBondContact O-ND1 3.42Å; V438-H440 PolarHBondContact O-N 3.35Å; H440-Y445 AromaticContact CD2-CG 3.92Å; H440-Y445 AromaticContact CE1-CD2 3.82Å; H440-Y445 AromaticContact CE1-CE2 3.98Å; H440-Y445 AromaticContact CE1-CG 3.99Å; H440-Y445 AromaticContact NE2-CD1 3.63Å; H440-Y445 AromaticContact NE2-CD2 3.79Å; H440-Y445 AromaticContact NE2-CE1 3.98Å; H440-Y445 AromaticContact NE2-CG 3.48Å
441	S	70.4	Confident	65.7	Low	92 Å²	92	62.9 Å²	62.9	64%	0.643	34%	0.34	S	S	*	.	H	α-helix	trans	-71.5	-29.7	-178.9	73.4	0	0	0	0	114.1	Q437 V438 L439	Q437-S441 WeakPolarHBondContact O-CB 3.49Å; Q437-S441 PolarHBondContact O-N 3.19Å; Q437-S441 VanDerWaalsContact O-N 3.13Å; Q437-S441 PolarHBondContact O-OG 3.43Å; V438-S441 PolarHBondContact O-N 3.34Å; V438-S441 PolarHBondContact O-OG 3.06Å; L439-S441 VanDerWaalsContact C-N 3.29Å; L439-S441 PolarHBondContact O-N 3.24Å
442	R	67.6	Low	64.4	Low	95 Å²	95	67.3 Å²	67.3	36%	0.358	36%	0.364	S	S	.	.	H	α-helix	trans	-105.3	-39.5	-172.1	-70.4	-169.6	176	-155.9	12.2	114.6	P357 D378 V438 L439	P357-R442 WeakPolarHBondContact CB-O 3.37Å; D378-R442 IonicContact OD2-CZ 3.44Å; D378-R442 IonicContact OD2-NH1 2.69Å; D378-R442 PolarHBondContact OD2-NH1 3.43Å; D378-R442 IonicContact OD2-NH2 3.04Å; V438-R442 PolarHBondContact O-N 3.33Å; V438-R442 VanDerWaalsContact O-N 3.16Å; L439-R442 PolarHBondContact O-N 3.42Å
443	I	63.4	Low	63.2	Low	11 Å²	11	68.1 Å²	68.1	6%	0.056	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-28.4	-169.3	-54.5	175.8	0	0	0	112.1	L439 L455 Y457	L439-I443 HydrophobicContact CD2-CD1 3.59Å; L439-I443 PolarHBondContact O-N 2.82Å; I443-L455 HydrophobicContact CG2-CB 4.41Å; I443-L455 HydrophobicContact CG2-CD2 4.2Å; I443-Y457 HydrophobicContact CD1-CE1 3.99Å; I443-Y457 HydrophobicContact CG1-CE1 4.49Å; I443-Y457 HydrophobicContact CG2-CD1 4.1Å; I443-Y457 HydrophobicContact CG2-CE1 3.96Å; I443-Y457 HydrophobicContact CG2-CG 4.5Å
444	G	56.2	Low	62.2	Low	34 Å²	34	65.7 Å²	65.7	35%	0.351	36%	0.356	S	S	.	.			trans	80.5	87.1	-178.4	0	0	0	0	0	112.1
445	Y	51.4	Low	61.2	Low	63 Å²	63	64.7 Å²	64.7	25%	0.247	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	143.5	-178.6	-169.4	-90.7	0	0	0	112.4	H440 P453 L455 K478	H440-Y445 AromaticContact CD2-CG 3.92Å; H440-Y445 AromaticContact CE1-CD2 3.82Å; H440-Y445 AromaticContact CE1-CE2 3.98Å; H440-Y445 AromaticContact CE1-CG 3.99Å; H440-Y445 AromaticContact NE2-CD1 3.63Å; H440-Y445 AromaticContact NE2-CD2 3.79Å; H440-Y445 AromaticContact NE2-CE1 3.98Å; H440-Y445 AromaticContact NE2-CG 3.48Å; Y445-P453 HydrophobicContact CD2-CB 4.32Å; Y445-P453 HydrophobicContact CE1-CB 3.69Å; Y445-P453 HydrophobicContact CE2-CB 3.36Å; Y445-P453 HydrophobicContact CE2-CG 3.64Å; Y445-P453 WeakPolarHBondContact OH-CB 3.48Å; Y445-P453 WeakPolarHBondContact OH-CG 3.45Å; Y445-L455 HydrophobicContact CD2-CD2 4Å; Y445-K478 PolarHBondContact O-NZ 2.98Å
446	I	51.7	Low	60.9	Low	28 Å²	28	65.1 Å²	65.1	14%	0.144	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	119.8	176.4	-51.4	-170.6	0	0	0	110.3	I454 D456 L477 K478	I446-I454 PolarHBondContact N-O 3.22Å; I446-D456 HydrophobicContact CD1-CB 3.52Å; I446-D456 HydrophobicContact CG1-CB 4.01Å; I446-L477 HydrophobicContact CD1-CB 3.92Å; I446-L477 HydrophobicContact CD1-CD2 3.87Å; I446-L477 HydrophobicContact CD1-CG 4.41Å; I446-L477 HydrophobicContact CG2-CD2 4.45Å; I446-K478 HydrophobicContact CD1-CD 3.99Å; I446-K478 HydrophobicContact CD1-CG 3.79Å; I446-K478 HydrophobicContact CG1-CD 4.31Å
447	D	53.3	Low	60.6	Low	80 Å²	80	63.5 Å²	63.5	43%	0.428	35%	0.346	S	S	.	.			trans	64.3	97.6	163.7	-154.4	0.2	0	0	0	117	S449	D447-S449 PolarHBondContact O-N 3.48Å; D447-S449 VanDerWaalsContact OD1-CB 3.26Å; D447-S449 WeakPolarHBondContact OD1-CB 3.4Å; D447-S449 PolarHBondContact OD1-N 3.21Å; D447-S449 VanDerWaalsContact OD1-N 3.15Å; D447-S449 PolarHBondContact OD1-OG 3.03Å; D447-S449 PolarHBondContact OD2-OG 2.58Å; D447-S449 VanDerWaalsContact OD2-OG 3.09Å
448	S	50.2	Low	60.4	Low	106 Å²	106	58.3 Å²	58.3	74%	0.741	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-3.5	172.6	51.8	0	0	0	0	114.1
449	S	45.4	Very low	60.8	Low	93 Å²	93	58.2 Å²	58.2	65%	0.65	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-21.3	-178.2	73	0	0	0	0	114	D447	D447-S449 PolarHBondContact O-N 3.48Å; D447-S449 VanDerWaalsContact OD1-CB 3.26Å; D447-S449 WeakPolarHBondContact OD1-CB 3.4Å; D447-S449 PolarHBondContact OD1-N 3.21Å; D447-S449 VanDerWaalsContact OD1-N 3.15Å; D447-S449 PolarHBondContact OD1-OG 3.03Å; D447-S449 PolarHBondContact OD2-OG 2.58Å; D447-S449 VanDerWaalsContact OD2-OG 3.09Å
450	K	46.6	Very low	61.3	Low	126 Å²	126	58.6 Å²	58.6	55%	0.548	33%	0.325	S	S	.	.	S	Bend	trans	-83.4	143.6	175.5	-70.4	-172.9	178.1	-177.5	0	110.7	N452	K450-N452 PolarHBondContact O-N 3.46Å; K450-N452 VanDerWaalsContact O-N 3.14Å
451	I	47	Very low	62	Low	171 Å²	171	55 Å²	55	88%	0.877	31%	0.309	S	S	*	.	S	Bend	trans	-53.9	-35.6	-179.7	-63.9	169.2	0	0	0	111.3
452	N	50	Low	62.7	Low	95 Å²	95	51.4 Å²	51.4	51%	0.508	28%	0.282	S	S	.	.	S	Bend	trans	-119.2	112	172.7	-68.5	-10.3	0	0	0	108.9	K450	K450-N452 PolarHBondContact O-N 3.46Å; K450-N452 VanDerWaalsContact O-N 3.14Å
453	P	55.1	Low	63.4	Low	56 Å²	56	48.6 Å²	48.6	36%	0.364	27%	0.273	S	S	.	.			trans	-70.3	139.3	176.1	30.3	-37.3	0	0	0	111.8	Y445	Y445-P453 HydrophobicContact CD2-CB 4.32Å; Y445-P453 HydrophobicContact CE1-CB 3.69Å; Y445-P453 HydrophobicContact CE2-CB 3.36Å; Y445-P453 HydrophobicContact CE2-CG 3.64Å; Y445-P453 WeakPolarHBondContact OH-CB 3.48Å; Y445-P453 WeakPolarHBondContact OH-CG 3.45Å
454	I	59.3	Low	64.1	Low	35 Å²	35	49.1 Å²	49.1	18%	0.179	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	123.8	-178.8	-57.9	173.2	0	0	0	108.7	I230 L231 I446	I230-I454 HydrophobicContact CD1-CD1 4.4Å; L231-I454 HydrophobicContact CD2-CG2 4.44Å; I446-I454 PolarHBondContact N-O 3.22Å
455	L	62.8	Low	64.8	Low	13 Å²	13	53.3 Å²	53.3	7%	0.068	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	113.1	172.8	-73.9	169.9	0	0	0	109.9	S224 L231 I443 Y445 Y457	S224-L455 WeakPolarHBondContact O-CD1 3.44Å; L231-L455 WeakPolarHBondContact CD1-O 3.16Å; I443-L455 HydrophobicContact CG2-CB 4.41Å; I443-L455 HydrophobicContact CG2-CD2 4.2Å; Y445-L455 HydrophobicContact CD2-CD2 4Å; L455-Y457 HydrophobicContact CB-CD2 4.45Å; L455-Y457 HydrophobicContact CB-CE2 4Å; L455-Y457 HydrophobicContact CD1-CE2 4.49Å; L455-Y457 PolarHBondContact O-N 3.21Å
456	D	69.7	Low	65.5	Low	13 Å²	13	57.9 Å²	57.9	7%	0.07	31%	0.313	C	S	.	.			trans	-83.3	93	175.5	-175	10.2	0	0	0	110.4	I446 G458 S476 L477	I446-D456 HydrophobicContact CD1-CB 3.52Å; I446-D456 HydrophobicContact CG1-CB 4.01Å; D456-G458 PolarHBondContact O-N 3.08Å; D456-G458 PolarHBondContact OD1-N 3.32Å; D456-S476 WeakPolarHBondContact OD2-CB 3.13Å; D456-L477 WeakPolarHBondContact OD2-CB 3.42Å; D456-L477 PolarHBondContact OD2-N 3.21Å
457	Y	71.4	Confident	66.3	Low	9 Å²	9	59.1 Å²	59.1	4%	0.035	33%	0.332	C	S	.	.			trans	-65	-23.6	172.5	-78.7	-78.9	0	0	0	113	I225 P227 I356 I443 L455	I225-Y457 WeakPolarHBondContact CG2-OH 3.41Å; I225-Y457 WeakPolarHBondContact O-CE2 3.14Å; I225-Y457 PolarHBondContact O-OH 3.04Å; P227-Y457 HydrophobicContact CB-CD2 3.87Å; P227-Y457 HydrophobicContact CB-CE2 4.23Å; I356-Y457 HydrophobicContact CG1-CD1 4.17Å; I356-Y457 HydrophobicContact CG1-CE1 4.46Å; I356-Y457 HydrophobicContact CG2-CD1 4.48Å; I356-Y457 HydrophobicContact CG2-CE1 4.31Å; I443-Y457 HydrophobicContact CD1-CE1 3.99Å; I443-Y457 HydrophobicContact CG1-CE1 4.49Å; I443-Y457 HydrophobicContact CG2-CD1 4.1Å; I443-Y457 HydrophobicContact CG2-CE1 3.96Å; I443-Y457 HydrophobicContact CG2-CG 4.5Å; L455-Y457 HydrophobicContact CB-CD2 4.45Å; L455-Y457 HydrophobicContact CB-CE2 4Å; L455-Y457 HydrophobicContact CD1-CE2 4.49Å; L455-Y457 PolarHBondContact O-N 3.21Å
458	G	77.6	Confident	67.2	Low	7 Å²	7	65 Å²	65	7%	0.072	35%	0.349	C	S	.	.			trans	69.8	156.4	-160.6	0	0	0	0	0	112.7	K355 D456 W475	K355-G458 PolarHBondContact N-O 2.95Å; D456-G458 PolarHBondContact O-N 3.08Å; D456-G458 PolarHBondContact OD1-N 3.32Å; G458-W475 CarbonylContact C-O 3.55Å; G458-W475 WeakPolarHBondContact CA-O 3.14Å
459	L	84.8	Confident	68.4	Low	1 Å²	1	62.9 Å²	62.9	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	145.8	179.7	-69.4	160.6	0	0	0	108.5	L231 V232 L235 V352 R353 F354 D474 W475	L231-L459 HydrophobicContact CB-CD1 4.41Å; V232-L459 HydrophobicContact CG2-CD1 4.44Å; V232-L459 HydrophobicContact CG2-CD2 4.3Å; L235-L459 HydrophobicContact CB-CD1 3.55Å; L235-L459 HydrophobicContact CD1-CB 4.44Å; L235-L459 HydrophobicContact CD1-CD1 4.29Å; L235-L459 HydrophobicContact CD2-CB 4.25Å; L235-L459 HydrophobicContact CD2-CD1 3.68Å; L235-L459 HydrophobicContact CD2-CG 4.47Å; L235-L459 HydrophobicContact CG-CD1 4.02Å; V352-L459 HydrophobicContact CG1-CD2 4.03Å; R353-L459 CarbonylContact O-C 3.59Å; R353-L459 WeakPolarHBondContact O-CA 3.41Å; R353-L459 WeakPolarHBondContact O-CD2 3.29Å; F354-L459 HydrophobicContact CD1-CD2 3.47Å; F354-L459 VanDerWaalsContact CD1-CD2 3.47Å; F354-L459 HydrophobicContact CD1-CG 4.32Å; F354-L459 HydrophobicContact CD2-CD2 4.44Å; F354-L459 HydrophobicContact CE1-CD2 3.67Å; F354-L459 HydrophobicContact CE1-CG 4.46Å; F354-L459 HydrophobicContact CG-CD2 3.91Å; F354-L459 HydrophobicContact CZ-CD2 4.27Å; L459-D474 CarbonylContact O-C 3.52Å; L459-W475 HydrophobicContact CB-CB 4.4Å; L459-W475 HydrophobicContact CB-CE3 4.1Å; L459-W475 HydrophobicContact CD1-CE3 3.68Å; L459-W475 HydrophobicContact CD1-CZ3 3.72Å; L459-W475 HydrophobicContact CG-CE3 4.15Å; L459-W475 HydrophobicContact CG-CZ3 4.46Å; L459-W475 PolarHBondContact N-O 3.35Å; L459-W475 PolarHBondContact O-N 3.16Å
460	E	83.8	Confident	70.1	Confident	15 Å²	15	61.8 Å²	61.8	7%	0.07	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	139.5	169.9	62.1	178.6	-177.6	0	0	110.5	R353 I462 Q471	R353-E460 HydrophobicContact CB-CG 4.15Å; R353-E460 PolarHBondContact N-O 3.4Å; R353-E460 VanDerWaalsContact N-O 3.12Å; R353-E460 PolarHBondContact O-N 3.27Å; E460-I462 HydrophobicContact CG-CD1 4.17Å; E460-I462 HydrophobicContact CG-CG1 4.23Å; E460-Q471 PolarHBondContact OE2-NE2 3.36Å
461	L	84.9	Confident	71.6	Confident	13 Å²	13	58 Å²	58	7%	0.068	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	113.9	175.6	-167.3	72.7	0	0	0	108.3	F328 A350 V352 L472 A473	F328-L461 HydrophobicContact CD1-CD1 4.28Å; F328-L461 HydrophobicContact CE1-CD1 4.37Å; A350-L461 HydrophobicContact CB-CD1 3.91Å; A350-L461 HydrophobicContact CB-CG 4.35Å; V352-L461 HydrophobicContact CG2-CD1 3.74Å; L461-L472 HydrophobicContact CD2-CB 4.33Å; L461-L472 HydrophobicContact CD2-CD1 3.96Å; L461-L472 HydrophobicContact CG-CD1 4.22Å; L461-L472 WeakPolarHBondContact O-CB 3.36Å; L461-L472 PolarHBondContact O-N 2.72Å; L461-A473 HydrophobicContact CB-CB 4.3Å; L461-A473 PolarHBondContact N-O 2.92Å; L461-A473 PolarHBondContact O-N 3.04Å
462	I	84.4	Confident	73.2	Confident	15 Å²	15	52.1 Å²	52.1	8%	0.077	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121.6	-177.5	-55.9	167.2	0	0	0	109	A350 L351 E460 L469 Q470	A350-I462 CarbonylContact C-O 3.33Å; A350-I462 WeakPolarHBondContact CA-O 3.39Å; L351-I462 HydrophobicContact CB-CB 4.28Å; L351-I462 PolarHBondContact N-O 2.88Å; L351-I462 PolarHBondContact O-N 3.03Å; E460-I462 HydrophobicContact CG-CD1 4.17Å; E460-I462 HydrophobicContact CG-CG1 4.23Å; I462-L469 HydrophobicContact CG2-CB 3.78Å; I462-L469 HydrophobicContact CG2-CD2 3.78Å; I462-L469 HydrophobicContact CG2-CG 4.32Å; I462-Q470 CarbonylContact C-O 3.51Å
463	H	82.9	Confident	74.8	Confident	37 Å²	37	47.7 Å²	47.7	17%	0.171	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	130.3	172.2	-165.3	-174.6	0	0	0	110.6	I349 Q470 L472	I349-H463 PolarHBondContact O-CD2 3.14Å; H463-Q470 PolarHBondContact N-O 3.47Å; H463-Q470 PolarHBondContact O-N 3.26Å; H463-L472 HydrophobicContact CB-CD1 3.64Å; H463-L472 HydrophobicContact CB-CD2 3.87Å; H463-L472 HydrophobicContact CB-CG 3.61Å
464	L	77.7	Confident	76.2	Confident	21 Å²	21	46.5 Å²	46.5	11%	0.11	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	105.8	167.1	-178.2	67.4	0	0	0	109.1	L342 I349 L469	L342-L464 HydrophobicContact CB-CD2 3.96Å; L342-L464 HydrophobicContact CD1-CD2 3.88Å; I349-L464 HydrophobicContact CB-CB 4.23Å; I349-L464 HydrophobicContact CD1-CD2 4.18Å; I349-L464 PolarHBondContact O-N 2.68Å; L464-L469 HydrophobicContact CB-CD2 4.23Å; L464-L469 HydrophobicContact CD1-CD2 3.68Å; L464-L469 HydrophobicContact CD1-CG 4.26Å
465	K	70.4	Confident	77.4	Confident	122 Å²	122	45.2 Å²	45.2	53%	0.53	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	120.9	177.1	-168.1	177.1	-177	179.1	0	110	G467 R468	K465-G467 PolarHBondContact O-N 2.92Å; K465-R468 PolarHBondContact N-O 3.17Å; K465-R468 PolarHBondContact O-N 2.84Å
466	N	67.1	Low	78.3	Confident	160 Å²	160	45.6 Å²	45.6	86%	0.856	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	39.6	-179.8	-59.7	-12.8	0	0	0	113.4	R468	N466-R468 PolarHBondContact O-N 3.2Å
467	G	67.7	Low	78.5	Confident	53 Å²	53	48.5 Å²	48.5	55%	0.546	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	75	0.5	-178	0	0	0	0	0	115	K465	K465-G467 PolarHBondContact O-N 2.92Å
468	R	72	Confident	78.5	Confident	205 Å²	205	55 Å²	55	77%	0.774	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	135.5	174.7	-66	-174.6	176.1	173.9	-1	110.5	K465 N466	K465-R468 PolarHBondContact N-O 3.17Å; K465-R468 PolarHBondContact O-N 2.84Å; N466-R468 PolarHBondContact O-N 3.2Å
469	L	76.8	Confident	78.5	Confident	61 Å²	61	64.4 Å²	64.4	32%	0.319	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	126	175.4	-66.1	172.6	0	0	0	109.4	L335 M339 L351 I462 L464	L335-L469 HydrophobicContact CD1-CD1 3.95Å; L335-L469 HydrophobicContact CD2-CD1 3.6Å; L335-L469 HydrophobicContact CG-CD1 4.06Å; M339-L469 HydrophobicContact SD-CD1 3.9Å; L351-L469 HydrophobicContact CD1-CD2 3.67Å; I462-L469 HydrophobicContact CG2-CB 3.78Å; I462-L469 HydrophobicContact CG2-CD2 3.78Å; I462-L469 HydrophobicContact CG2-CG 4.32Å; L464-L469 HydrophobicContact CB-CD2 4.23Å; L464-L469 HydrophobicContact CD1-CD2 3.68Å; L464-L469 HydrophobicContact CD1-CG 4.26Å
470	Q	79.4	Confident	78.2	Confident	69 Å²	69	65.3 Å²	65.3	32%	0.322	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	119.5	179.8	-176.2	179.4	-7.2	0	0	109.4	I462 H463 L472	I462-Q470 CarbonylContact C-O 3.51Å; H463-Q470 PolarHBondContact N-O 3.47Å; H463-Q470 PolarHBondContact O-N 3.26Å; Q470-L472 PolarHBondContact O-N 2.89Å
471	Q	79.2	Confident	78.1	Confident	47 Å²	47	66.2 Å²	66.2	22%	0.22	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	121.4	177.4	-168.8	172.5	19.4	0	0	110.5	E460 D474 K484	E460-Q471 PolarHBondContact OE2-NE2 3.36Å; Q471-D474 PolarHBondContact NE2-OD1 3.3Å; Q471-K484 HydrophobicContact CG-CD 4.22Å
472	L	79.7	Confident	77.9	Confident	48 Å²	48	69 Å²	69	25%	0.251	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-52.5	178.6	-69.2	174.9	0	0	0	111.5	L461 H463 Q470 K484	L461-L472 HydrophobicContact CD2-CB 4.33Å; L461-L472 HydrophobicContact CD2-CD1 3.96Å; L461-L472 HydrophobicContact CG-CD1 4.22Å; L461-L472 WeakPolarHBondContact O-CB 3.36Å; L461-L472 PolarHBondContact O-N 2.72Å; H463-L472 HydrophobicContact CB-CD1 3.64Å; H463-L472 HydrophobicContact CB-CD2 3.87Å; H463-L472 HydrophobicContact CB-CG 3.61Å; Q470-L472 PolarHBondContact O-N 2.89Å; L472-K484 PolarHBondContact O-N 2.88Å
473	A	83.5	Confident	77.6	Confident	1 Å²	1	73 Å²	73	1%	0.008	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	149.5	-170.3	0	0	0	0	0	111.8	L461 F481 V482 Y483	L461-A473 HydrophobicContact CB-CB 4.3Å; L461-A473 PolarHBondContact N-O 2.92Å; L461-A473 PolarHBondContact O-N 3.04Å; A473-F481 HydrophobicContact CB-CD1 4.13Å; A473-V482 WeakPolarHBondContact CA-O 3.32Å; A473-Y483 HydrophobicContact CB-CD1 3.65Å; A473-Y483 HydrophobicContact CB-CE1 3.87Å; A473-Y483 HydrophobicContact CB-CG 4.16Å
474	D	85.2	Confident	77.2	Confident	32 Å²	32	76.6 Å²	76.6	17%	0.171	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	142.9	162.1	-70.8	-41.2	0	0	0	108.5	K355 L459 Q471 F481 V482 K484	K355-D474 IonicContact NZ-OD1 3.7Å; K355-D474 PolarHBondContact NZ-OD1 2.94Å; K355-D474 IonicContact NZ-OD2 2.67Å; K355-D474 PolarHBondContact NZ-OD2 3.32Å; L459-D474 CarbonylContact O-C 3.52Å; Q471-D474 PolarHBondContact NE2-OD1 3.3Å; D474-F481 CarbonylContact O-C 3.45Å; D474-V482 PolarHBondContact N-O 3.37Å; D474-V482 PolarHBondContact O-N 2.83Å; D474-K484 WeakPolarHBondContact OD2-CE 3.5Å; D474-K484 IonicContact OD2-NZ 2.77Å
475	W	85	Confident	76.4	Confident	7 Å²	7	80.2 Å²	80.2	3%	0.027	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	144.1	176.6	-178.1	96	0	0	0	110.8	L231 E234 L235 N238 G458 L459 L477 G480 F481	L231-W475 HydrophobicContact CB-CZ3 4.35Å; L231-W475 HydrophobicContact CD2-CZ3 4.35Å; L231-W475 WeakPolarHBondContact O-CH2 3.43Å; E234-W475 HydrophobicContact CB-CH2 3.86Å; E234-W475 HydrophobicContact CB-CZ2 4.11Å; L235-W475 HydrophobicContact CB-CD2 4.14Å; L235-W475 HydrophobicContact CB-CE3 4.2Å; L235-W475 HydrophobicContact CB-CH2 4.16Å; L235-W475 HydrophobicContact CB-CZ2 4.1Å; L235-W475 HydrophobicContact CB-CZ3 4.21Å; L235-W475 HydrophobicContact CD1-CB 3.55Å; L235-W475 HydrophobicContact CD1-CD2 3.42Å; L235-W475 VanDerWaalsContact CD1-CD2 3.42Å; L235-W475 HydrophobicContact CD1-CE3 4Å; L235-W475 HydrophobicContact CD1-CG 3.21Å; L235-W475 HydrophobicContact CG-CD2 4.4Å; N238-W475 PolarHBondContact ND2-NE1 3.34Å; G458-W475 CarbonylContact C-O 3.55Å; G458-W475 WeakPolarHBondContact CA-O 3.14Å; L459-W475 HydrophobicContact CB-CB 4.4Å; L459-W475 HydrophobicContact CB-CE3 4.1Å; L459-W475 HydrophobicContact CD1-CE3 3.68Å; L459-W475 HydrophobicContact CD1-CZ3 3.72Å; L459-W475 HydrophobicContact CG-CE3 4.15Å; L459-W475 HydrophobicContact CG-CZ3 4.46Å; L459-W475 PolarHBondContact N-O 3.35Å; L459-W475 PolarHBondContact O-N 3.16Å; W475-L477 HydrophobicContact CH2-CD1 4.32Å; W475-G480 WeakPolarHBondContact CA-O 3.01Å; W475-F481 HydrophobicContact CB-CD1 4.06Å; W475-F481 HydrophobicContact CB-CE1 4Å; W475-F481 AromaticContact CD1-CD1 3.76Å; W475-F481 AromaticContact CD1-CD2 3.65Å; W475-F481 AromaticContact CD1-CE1 3.66Å; W475-F481 AromaticContact CD1-CE2 3.56Å; W475-F481 AromaticContact CD1-CG 3.74Å; W475-F481 AromaticContact CD1-CZ 3.52Å; W475-F481 HydrophobicContact CG-CD1 4.31Å; W475-F481 HydrophobicContact CG-CE1 4.11Å; W475-F481 HydrophobicContact CG-CZ 4.26Å; W475-F481 AromaticContact NE1-CE2 3.85Å
476	S	80.8	Confident	75.3	Confident	22 Å²	22	80 Å²	80	15%	0.154	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	157.5	171.1	58.4	0	0	0	0	109.3	D456 K478 R479 G480	D456-S476 WeakPolarHBondContact OD2-CB 3.13Å; S476-K478 PolarHBondContact O-N 2.97Å; S476-R479 PolarHBondContact O-N 3.47Å; S476-R479 VanDerWaalsContact OG-CB 3.24Å; S476-R479 WeakPolarHBondContact OG-CB 3.03Å; S476-R479 WeakPolarHBondContact OG-CG 3.41Å; S476-R479 PolarHBondContact OG-N 3.3Å; S476-R479 VanDerWaalsContact OG-N 3.13Å; S476-G480 PolarHBondContact N-O 2.93Å; S476-G480 WeakPolarHBondContact O-CA 3.22Å; S476-G480 PolarHBondContact O-N 2.97Å
477	L	74.2	Confident	74	Confident	73 Å²	73	76 Å²	76	38%	0.382	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-35.2	-179.6	-168.2	72.4	0	0	0	111.5	L231 E234 I446 D456 W475	L231-L477 HydrophobicContact CD2-CB 4.36Å; E234-L477 HydrophobicContact CB-CD1 4.25Å; E234-L477 HydrophobicContact CG-CD1 4.26Å; I446-L477 HydrophobicContact CD1-CB 3.92Å; I446-L477 HydrophobicContact CD1-CD2 3.87Å; I446-L477 HydrophobicContact CD1-CG 4.41Å; I446-L477 HydrophobicContact CG2-CD2 4.45Å; D456-L477 WeakPolarHBondContact OD2-CB 3.42Å; D456-L477 PolarHBondContact OD2-N 3.21Å; W475-L477 HydrophobicContact CH2-CD1 4.32Å
478	K	71.9	Confident	72.4	Confident	145 Å²	145	81 Å²	81	63%	0.63	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-40.6	179.1	-78.6	173.8	177.6	164.2	0	114.2	Y445 I446 S476	Y445-K478 PolarHBondContact O-NZ 2.98Å; I446-K478 HydrophobicContact CD1-CD 3.99Å; I446-K478 HydrophobicContact CD1-CG 3.79Å; I446-K478 HydrophobicContact CG1-CD 4.31Å; S476-K478 PolarHBondContact O-N 2.97Å
479	R	76.5	Confident	70.5	Confident	205 Å²	205	76.2 Å²	76.2	77%	0.774	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-14.9	-171.5	-54.9	-178.5	-179.1	174.2	1.6	113.7	S476 V482	S476-R479 PolarHBondContact O-N 3.47Å; S476-R479 VanDerWaalsContact OG-CB 3.24Å; S476-R479 WeakPolarHBondContact OG-CB 3.03Å; S476-R479 WeakPolarHBondContact OG-CG 3.41Å; S476-R479 PolarHBondContact OG-N 3.3Å; S476-R479 VanDerWaalsContact OG-N 3.13Å; R479-V482 HydrophobicContact CB-CG2 4.28Å
480	G	79.1	Confident	68.2	Low	21 Å²	21	77.2 Å²	77.2	22%	0.216	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	62.8	-151.4	-167.2	0	0	0	0	0	111.3	W475 S476	W475-G480 WeakPolarHBondContact CA-O 3.01Å; S476-G480 PolarHBondContact N-O 2.93Å; S476-G480 WeakPolarHBondContact O-CA 3.22Å; S476-G480 PolarHBondContact O-N 2.97Å
481	F	81.8	Confident	65.9	Low	34 Å²	34	79.3 Å²	79.3	15%	0.149	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	128	179.3	-73.3	-77	0	0	0	112.7	L235 N238 L239 L242 A473 D474 W475 Y483	L235-F481 HydrophobicContact CD1-CE1 3.55Å; L235-F481 HydrophobicContact CD1-CE2 4.38Å; L235-F481 HydrophobicContact CD1-CZ 3.34Å; L235-F481 HydrophobicContact CG-CZ 4.25Å; N238-F481 HydrophobicContact CB-CD2 4.49Å; N238-F481 HydrophobicContact CB-CE2 3.76Å; L239-F481 HydrophobicContact CD2-CE1 3.88Å; L239-F481 HydrophobicContact CD2-CE2 3.95Å; L239-F481 HydrophobicContact CD2-CZ 3.32Å; L239-F481 HydrophobicContact CG-CE1 4.47Å; L239-F481 HydrophobicContact CG-CE2 4.24Å; L239-F481 HydrophobicContact CG-CZ 3.6Å; L242-F481 HydrophobicContact CD1-CD2 3.49Å; L242-F481 VanDerWaalsContact CD1-CD2 3.49Å; L242-F481 HydrophobicContact CD1-CE2 3.7Å; L242-F481 HydrophobicContact CD1-CG 4.42Å; A473-F481 HydrophobicContact CB-CD1 4.13Å; D474-F481 CarbonylContact O-C 3.45Å; W475-F481 HydrophobicContact CB-CD1 4.06Å; W475-F481 HydrophobicContact CB-CE1 4Å; W475-F481 AromaticContact CD1-CD1 3.76Å; W475-F481 AromaticContact CD1-CD2 3.65Å; W475-F481 AromaticContact CD1-CE1 3.66Å; W475-F481 AromaticContact CD1-CE2 3.56Å; W475-F481 AromaticContact CD1-CG 3.74Å; W475-F481 AromaticContact CD1-CZ 3.52Å; W475-F481 HydrophobicContact CG-CD1 4.31Å; W475-F481 HydrophobicContact CG-CE1 4.11Å; W475-F481 HydrophobicContact CG-CZ 4.26Å; W475-F481 AromaticContact NE1-CE2 3.85Å; F481-Y483 HydrophobicContact CB-CD2 4.26Å; F481-Y483 HydrophobicContact CB-CE2 3.64Å; F481-Y483 HydrophobicContact CG-CE2 4.37Å
482	V	79.7	Confident	63.6	Low	71 Å²	71	80.1 Å²	80.1	43%	0.43	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	99	171	-176.9	0	0	0	0	108	A473 D474 R479	A473-V482 WeakPolarHBondContact CA-O 3.32Å; D474-V482 PolarHBondContact N-O 3.37Å; D474-V482 PolarHBondContact O-N 2.83Å; R479-V482 HydrophobicContact CB-CG2 4.28Å
483	Y	78.3	Confident	61.3	Low	99 Å²	99	84.5 Å²	84.5	39%	0.388	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	129.2	178.9	-65.1	-87.4	0	0	0	110.6	A473 F481 Q485 V487	A473-Y483 HydrophobicContact CB-CD1 3.65Å; A473-Y483 HydrophobicContact CB-CE1 3.87Å; A473-Y483 HydrophobicContact CB-CG 4.16Å; F481-Y483 HydrophobicContact CB-CD2 4.26Å; F481-Y483 HydrophobicContact CB-CE2 3.64Å; F481-Y483 HydrophobicContact CG-CE2 4.37Å; Y483-Q485 WeakPolarHBondContact CB-O 3.45Å; Y483-V487 HydrophobicContact CD1-CG2 3.39Å; Y483-V487 HydrophobicContact CD2-CG2 3.95Å; Y483-V487 HydrophobicContact CE1-CG2 3.92Å; Y483-V487 HydrophobicContact CE2-CG2 4.41Å; Y483-V487 HydrophobicContact CG-CG2 3.42Å; Y483-V487 VanDerWaalsContact CG-CG2 3.42Å
484	K	74.5	Confident	59	Low	112 Å²	112	86.2 Å²	86.2	49%	0.487	45%	0.447	S	S	.	.	S	Bend	trans	-80.7	-20.4	-179.8	-73.8	-167.6	177.6	-177.1	0	113.1	Q471 L472 D474	Q471-K484 HydrophobicContact CG-CD 4.22Å; L472-K484 PolarHBondContact O-N 2.88Å; D474-K484 WeakPolarHBondContact OD2-CE 3.5Å; D474-K484 IonicContact OD2-NZ 2.77Å
485	Q	60.8	Low	56.7	Low	97 Å²	97	86.4 Å²	86.4	45%	0.453	46%	0.456	S	S	.	.	S	Bend	trans	-108	145.6	170.8	-62.7	-170.8	-30	0	0	107.5	Y483 V487	Y483-Q485 WeakPolarHBondContact CB-O 3.45Å; Q485-V487 VanDerWaalsContact C-N 3.32Å; Q485-V487 PolarHBondContact O-N 2.97Å
486	P	47.2	Very low	54.3	Low	119 Å²	119	92.7 Å²	92.7	77%	0.773	49%	0.488	S	S	*	.			trans	-52.4	114.6	158.9	24.3	-29	0	0	0	103.8	E488	P486-E488 PolarHBondContact O-N 3.22Å
487	V	41.4	Very low	52.8	Low	74 Å²	74	97.4 Å²	97.4	45%	0.448	51%	0.506	S	S	.	.			trans	-56.6	99.5	167.3	177.7	0	0	0	0	101	Y483 Q485 T489	Y483-V487 HydrophobicContact CD1-CG2 3.39Å; Y483-V487 HydrophobicContact CD2-CG2 3.95Å; Y483-V487 HydrophobicContact CE1-CG2 3.92Å; Y483-V487 HydrophobicContact CE2-CG2 4.41Å; Y483-V487 HydrophobicContact CG-CG2 3.42Å; Y483-V487 VanDerWaalsContact CG-CG2 3.42Å; Q485-V487 VanDerWaalsContact C-N 3.32Å; Q485-V487 PolarHBondContact O-N 2.97Å; V487-T489 HydrophobicContact CG1-CG2 4.49Å; V487-T489 PolarHBondContact O-N 3.31Å
488	E	34.1	Very low	51.7	Low	160 Å²	160	94.4 Å²	94.4	75%	0.748	49%	0.49	S	S	*	.			trans	-47.2	108.5	150	-79.3	-176.4	176.1	0	0	100.3	P486 S490	P486-E488 PolarHBondContact O-N 3.22Å; E488-S490 PolarHBondContact O-N 3.09Å; E488-S490 PolarHBondContact O-OG 3.46Å
489	T	31.3	Very low	50.7	Low	104 Å²	104	92 Å²	92	64%	0.638	48%	0.482	S	S	*	.			trans	-66	53.1	167.3	45.1	0	0	0	0	106.3	V487 F491	V487-T489 HydrophobicContact CG1-CG2 4.49Å; V487-T489 PolarHBondContact O-N 3.31Å; T489-F491 HydrophobicContact CG2-CD2 4.48Å; T489-F491 PolarHBondContact O-N 2.91Å; T489-F491 VanDerWaalsContact O-N 3.12Å; T489-F491 VanDerWaalsContact O-O 3.12Å
490	S	28.7	Very low	50.2	Low	82 Å²	82	88.4 Å²	88.4	57%	0.573	48%	0.478	S	S	*	.			trans	-69.7	53.3	142.3	71.1	0	0	0	0	107.5	E488 P492	E488-S490 PolarHBondContact O-N 3.09Å; E488-S490 PolarHBondContact O-OG 3.46Å; S490-P492 VanDerWaalsContact O-CD 3.22Å; S490-P492 WeakPolarHBondContact O-CD 3.12Å
491	F	32	Very low	50.1	Low	113 Å²	113	91.2 Å²	91.2	50%	0.496	48%	0.484	S	S	.	.				-53.7	107.4	116.9	-66.4	-69.8	0	0	0	102.1	I246 T489 Q493	I246-F491 HydrophobicContact CD1-CD1 3.58Å; I246-F491 HydrophobicContact CD1-CE1 3.21Å; I246-F491 HydrophobicContact CD1-CZ 4.23Å; T489-F491 HydrophobicContact CG2-CD2 4.48Å; T489-F491 PolarHBondContact O-N 2.91Å; T489-F491 VanDerWaalsContact O-N 3.12Å; T489-F491 VanDerWaalsContact O-O 3.12Å; F491-Q493 PolarHBondContact O-N 3.26Å
492	P	30.7	Very low	50.3	Low	64 Å²	64	92.9 Å²	92.9	42%	0.416	50%	0.497	S	S	.	.			trans	-59.8	99.4	170	3.2	11	0	0	0	101.9	S490 G494 K497	S490-P492 VanDerWaalsContact O-CD 3.22Å; S490-P492 WeakPolarHBondContact O-CD 3.12Å; P492-G494 VanDerWaalsContact C-N 3.29Å; P492-G494 WeakPolarHBondContact O-CA 3.4Å; P492-G494 PolarHBondContact O-N 3.49Å; P492-K497 HydrophobicContact CB-CB 4.26Å; P492-K497 HydrophobicContact CB-CD 3.93Å; P492-K497 HydrophobicContact CB-CG 4.17Å; P492-K497 HydrophobicContact CG-CD 4.03Å
493	Q	30.9	Very low	50.8	Low	139 Å²	139	89.5 Å²	89.5	65%	0.65	48%	0.477	S	S	*	.			trans	-44.8	112.5	160.6	-68.6	-178.5	-5.8	0	0	101.8	F491 G495 M496	F491-Q493 PolarHBondContact O-N 3.26Å; Q493-G495 CarbonylContact O-C 3.53Å; Q493-G495 PolarHBondContact O-N 2.95Å; Q493-M496 PolarHBondContact O-N 3.48Å
494	G	35.7	Very low	51.5	Low	38 Å²	38	87 Å²	87	39%	0.392	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-21.2	-161.5	0	0	0	0	0	113.1	P492 H498	P492-G494 VanDerWaalsContact C-N 3.29Å; P492-G494 WeakPolarHBondContact O-CA 3.4Å; P492-G494 PolarHBondContact O-N 3.49Å; G494-H498 PolarHBondContact O-CD2 3.43Å
495	G	35.3	Very low	52.5	Low	35 Å²	35	81.7 Å²	81.7	36%	0.361	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-36.3	170.2	0	0	0	0	0	116.9	Q493	Q493-G495 CarbonylContact O-C 3.53Å; Q493-G495 PolarHBondContact O-N 2.95Å
496	M	36.1	Very low	54.2	Low	140 Å²	140	77.1 Å²	77.1	69%	0.69	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-21.5	-174.2	-74.6	-165.3	-171.2	0	0	114.4	Q493 H498	Q493-M496 PolarHBondContact O-N 3.48Å; M496-H498 VanDerWaalsContact C-N 3.29Å; M496-H498 PolarHBondContact O-N 3.46Å
497	K	47.9	Very low	56.5	Low	120 Å²	120	71.5 Å²	71.5	52%	0.522	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-12.4	-176.1	-128.8	-177.6	-173.2	-178.4	0	113.8	P492	P492-K497 HydrophobicContact CB-CB 4.26Å; P492-K497 HydrophobicContact CB-CD 3.93Å; P492-K497 HydrophobicContact CB-CG 4.17Å; P492-K497 HydrophobicContact CG-CD 4.03Å
498	H	52.2	Low	59	Low	10 Å²	10	68.7 Å²	68.7	5%	0.046	37%	0.371	C	S	.	.	S	Bend	trans	-114.2	-6.6	-175.5	-64.2	-59.2	0	0	0	114.2	G494 M496 N500 K501 F503	G494-H498 PolarHBondContact O-CD2 3.43Å; M496-H498 VanDerWaalsContact C-N 3.29Å; M496-H498 PolarHBondContact O-N 3.46Å; H498-N500 PolarHBondContact O-N 3.01Å; H498-K501 PolarHBondContact O-N 3.07Å; H498-K501 VanDerWaalsContact O-N 3.12Å; H498-F503 HydrophobicContact CB-CZ 4.35Å; H498-F503 AromaticContact ND1-CZ 3.7Å
499	M	50.1	Low	61.8	Low	96 Å²	96	66.3 Å²	66.3	47%	0.473	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	128.5	174.7	-71	-171.5	77.1	0	0	110.3	K501 H547	M499-K501 VanDerWaalsContact C-N 3.27Å; M499-K501 PolarHBondContact O-N 2.88Å; M499-H547 WeakPolarHBondContact CA-O 3.43Å; M499-H547 HydrophobicContact CE-CB 3.9Å; M499-H547 HydrophobicContact CG-CB 4.1Å
500	N	65.9	Low	64.6	Low	128 Å²	128	62.4 Å²	62.4	68%	0.684	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	13.2	-177.8	-52.6	-20.1	0	0	0	116.2	H498 H547	H498-N500 PolarHBondContact O-N 3.01Å; N500-H547 PolarHBondContact N-O 3.26Å
501	K	76.5	Confident	67.7	Low	80 Å²	80	59.8 Å²	59.8	35%	0.348	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-80.2	132.2	169.7	-169	175.4	176.9	-171.6	0	109.4	H498 M499 F503 D549	H498-K501 PolarHBondContact O-N 3.07Å; H498-K501 VanDerWaalsContact O-N 3.12Å; M499-K501 VanDerWaalsContact C-N 3.27Å; M499-K501 PolarHBondContact O-N 2.88Å; K501-F503 HydrophobicContact CB-CZ 4.39Å; K501-F503 HydrophobicContact CD-CD1 4.39Å; K501-F503 HydrophobicContact CD-CE1 3.72Å; K501-F503 HydrophobicContact CD-CZ 3.99Å; K501-F503 HydrophobicContact CG-CE1 4.27Å; K501-F503 HydrophobicContact CG-CZ 4.39Å; K501-D549 PolarHBondContact O-N 2.85Å
502	T	86.7	Confident	70.6	Confident	70 Å²	70	54.4 Å²	54.4	43%	0.429	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	116.8	172.2	-44	0	0	0	0	110.2	D549 I551	T502-D549 CarbonylContact C-O 3.32Å; T502-D549 VanDerWaalsContact CA-O 3.28Å; T502-D549 WeakPolarHBondContact CA-O 3.35Å; T502-D549 HydrophobicContact CG2-CB 4.09Å; T502-I551 HydrophobicContact CG2-CD1 3.76Å; T502-I551 HydrophobicContact CG2-CG1 3.72Å
503	F	91	Very high	73.7	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	139.1	177.6	-66.4	-68.2	0	0	0	112.1	H498 K501 F548 D549 Y550 I551 D583 L584 L841	H498-F503 HydrophobicContact CB-CZ 4.35Å; H498-F503 AromaticContact ND1-CZ 3.7Å; K501-F503 HydrophobicContact CB-CZ 4.39Å; K501-F503 HydrophobicContact CD-CD1 4.39Å; K501-F503 HydrophobicContact CD-CE1 3.72Å; K501-F503 HydrophobicContact CD-CZ 3.99Å; K501-F503 HydrophobicContact CG-CE1 4.27Å; K501-F503 HydrophobicContact CG-CZ 4.39Å; F503-F548 HydrophobicContact CD2-CB 3.83Å; F503-F548 AromaticContact CD2-CD2 3.58Å; F503-F548 HydrophobicContact CD2-CD2 3.58Å; F503-F548 HydrophobicContact CD2-CE2 4.25Å; F503-F548 AromaticContact CD2-CG 3.74Å; F503-F548 HydrophobicContact CD2-CG 3.74Å; F503-F548 HydrophobicContact CE2-CB 3.61Å; F503-F548 HydrophobicContact CE2-CD1 4.25Å; F503-F548 HydrophobicContact CE2-CD2 4.09Å; F503-F548 AromaticContact CE2-CG 3.74Å; F503-F548 HydrophobicContact CE2-CG 3.74Å; F503-D549 PolarHBondContact N-O 3.04Å; F503-Y550 CarbonylContact O-C 3.55Å; F503-Y550 WeakPolarHBondContact O-CA 3.37Å; F503-I551 PolarHBondContact O-N 2.74Å; F503-D583 HydrophobicContact CB-CB 4.15Å; F503-D583 HydrophobicContact CD1-CB 3.78Å; F503-D583 HydrophobicContact CG-CB 4.42Å; F503-L584 HydrophobicContact CB-CD1 4.25Å; F503-L584 HydrophobicContact CG-CD1 4.45Å; F503-L841 HydrophobicContact CD1-CD2 4.18Å; F503-L841 HydrophobicContact CE1-CD2 3.56Å; F503-L841 HydrophobicContact CE2-CD1 4.07Å; F503-L841 HydrophobicContact CE2-CD2 4.31Å; F503-L841 HydrophobicContact CZ-CD1 3.8Å; F503-L841 HydrophobicContact CZ-CD2 3.63Å; F503-L841 HydrophobicContact CZ-CG 4.37Å
504	I	91.6	Very high	76.8	Confident	47 Å²	47	44.8 Å²	44.8	24%	0.241	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	116.6	170.7	-60.5	172.2	0	0	0	108.3	K553 A582 D583 L584	I504-K553 HydrophobicContact CG2-CB 4.32Å; I504-K553 HydrophobicContact CG2-CD 3.71Å; I504-K553 HydrophobicContact CG2-CG 4.07Å; I504-A582 HydrophobicContact CG2-CB 4.18Å; I504-D583 PolarHBondContact N-OD2 2.91Å; I504-D583 PolarHBondContact O-N 3.21Å; I504-L584 PolarHBondContact O-N 2.93Å
505	V	96.3	Very high	79.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	115.9	-179.5	-177.8	0	0	0	0	109.3	L539 Y550 I551 I552 K553 L584 V586	V505-L539 HydrophobicContact CB-CD2 4.35Å; V505-L539 HydrophobicContact CG1-CD2 3.94Å; V505-L539 HydrophobicContact CG2-CD1 4.32Å; V505-L539 HydrophobicContact CG2-CD2 4.06Å; V505-Y550 HydrophobicContact CG2-CD2 4.46Å; V505-Y550 HydrophobicContact CG2-CG 4.42Å; V505-I551 PolarHBondContact N-O 3.09Å; V505-I552 CarbonylContact O-C 3.45Å; V505-I552 WeakPolarHBondContact O-CA 3.17Å; V505-K553 PolarHBondContact O-N 2.65Å; V505-L584 CarbonylContact C-O 3.24Å; V505-L584 WeakPolarHBondContact CA-O 3.5Å; V505-L584 HydrophobicContact CG1-CB 4.49Å; V505-L584 HydrophobicContact CG2-CB 4.16Å; V505-L584 HydrophobicContact CG2-CD1 4.22Å; V505-V586 HydrophobicContact CG1-CB 3.83Å; V505-V586 HydrophobicContact CG1-CG2 3.68Å
506	T	96.5	Very high	82.3	Confident	1 Å²	1	46 Å²	46	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	141.7	169.3	-168.9	0	0	0	0	110.9	K553 L573 D576 A582 L584 A585 V586	T506-K553 VanDerWaalsContact CA-O 3.28Å; T506-K553 WeakPolarHBondContact CA-O 3.44Å; T506-L573 HydrophobicContact CG2-CB 4.5Å; T506-L573 HydrophobicContact CG2-CD2 3.77Å; T506-L573 WeakPolarHBondContact OG1-CD2 3.18Å; T506-D576 HydrophobicContact CG2-CB 3.96Å; T506-D576 PolarHBondContact OG1-OD2 3.29Å; T506-A582 HydrophobicContact CG2-CB 3.62Å; T506-L584 PolarHBondContact N-O 2.76Å; T506-A585 HydrophobicContact CG2-CB 3.69Å; T506-A585 WeakPolarHBondContact O-CA 3.41Å; T506-V586 PolarHBondContact O-N 3.16Å
507	T	96	Very high	84.8	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	167.1	-177.8	-162.1	0	0	0	0	111.2	V514 W531 I552 P554 V555 V586	T507-V514 HydrophobicContact CG2-CG1 4.07Å; T507-V514 WeakPolarHBondContact OG1-CG1 3.37Å; T507-V514 WeakPolarHBondContact OG1-CG2 3.36Å; T507-W531 HydrophobicContact CG2-CE3 4.3Å; T507-W531 HydrophobicContact CG2-CZ3 4.35Å; T507-I552 HydrophobicContact CG2-CG2 3.54Å; T507-P554 WeakPolarHBondContact O-CA 3.14Å; T507-V555 PolarHBondContact O-N 2.97Å; T507-V586 WeakPolarHBondContact CB-O 2.97Å; T507-V586 PolarHBondContact OG1-O 3.33Å
508	I	93.5	Very high	86.7	Confident	16 Å²	16	37.6 Å²	37.6	8%	0.082	19%	0.192	C	C	.	.			trans	-135.5	138.1	177.9	-173	172.2	0	0	0	108.6	D510 V514 V555 K558 F560 L573 A587	I508-D510 PolarHBondContact O-N 3.15Å; I508-V514 WeakPolarHBondContact O-CB 3.44Å; I508-V514 WeakPolarHBondContact O-CG1 3.2Å; I508-V514 WeakPolarHBondContact O-CG2 3.25Å; I508-V555 HydrophobicContact CB-CG1 3.96Å; I508-V555 HydrophobicContact CD1-CG1 4.37Å; I508-V555 HydrophobicContact CG1-CG1 4.15Å; I508-K558 VanDerWaalsContact CD1-C 3.46Å; I508-K558 WeakPolarHBondContact CD1-O 3.31Å; I508-F560 HydrophobicContact CD1-CD2 4.19Å; I508-F560 HydrophobicContact CD1-CE2 4.18Å; I508-F560 HydrophobicContact CG2-CD1 4.06Å; I508-F560 HydrophobicContact CG2-CE1 3.57Å; I508-F560 HydrophobicContact CG2-CE2 4.23Å; I508-F560 HydrophobicContact CG2-CZ 3.67Å; I508-L573 HydrophobicContact CG2-CD1 3.92Å; I508-A587 HydrophobicContact CG2-CB 3.84Å
509	E	92.5	Very high	88.2	Confident	110 Å²	110	44.5 Å²	44.5	51%	0.514	22%	0.219	S	C	.	.			trans	-64.4	115.1	175.1	-173.3	-179.6	-169.1	0	0	110.1
510	D	91.6	Very high	89.7	Confident	21 Å²	21	44.3 Å²	44.3	11%	0.112	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-155.9	87.6	179.2	-170.9	41.6	0	0	0	109.7	I508 F513 V514 F560 S588	I508-D510 PolarHBondContact O-N 3.15Å; D510-F513 WeakPolarHBondContact O-CA 3.31Å; D510-F513 WeakPolarHBondContact O-CB 3.48Å; D510-F513 PolarHBondContact O-N 2.9Å; D510-V514 CarbonylContact C-O 3.46Å; D510-V514 VanDerWaalsContact C-O 3.32Å; D510-V514 PolarHBondContact N-O 3.22Å; D510-V514 PolarHBondContact O-N 3.44Å; D510-F560 HydrophobicContact CB-CZ 4.34Å; D510-S588 WeakPolarHBondContact OD2-CB 3.34Å; D510-S588 PolarHBondContact OD2-OG 2.92Å
511	P	92.1	Very high	90.4	Very high	28 Å²	28	47.5 Å²	47.5	18%	0.182	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	139.2	-179.4	-23.6	34.4	0	0	0	112.3	I515	P511-I515 HydrophobicContact CB-CD1 4.48Å; P511-I515 HydrophobicContact CB-CG1 4.08Å; P511-I515 HydrophobicContact CG-CG1 4.31Å
512	P	93.8	Very high	90.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91.8	7.7	6.6	37	-37.5	0	0	0	114.7	G533 F534 Y810 W865	P512-G533 CarbonylContact O-C 3.52Å; P512-G533 WeakPolarHBondContact O-CA 3.47Å; P512-F534 PolarHBondContact O-N 2.88Å; P512-Y810 HydrophobicContact CB-CD2 3.77Å; P512-Y810 HydrophobicContact CB-CE2 3.47Å; P512-Y810 VanDerWaalsContact CB-CE2 3.47Å; P512-Y810 HydrophobicContact CG-CD2 3.38Å; P512-Y810 HydrophobicContact CG-CE2 3.64Å; P512-Y810 HydrophobicContact CG-CG 4.08Å; P512-W865 HydrophobicContact CB-CB 4.34Å; P512-W865 HydrophobicContact CB-CE3 4.47Å
513	F	95.8	Very high	90.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-41.5	-172.5	-60.1	-80.6	0	0	0	111.6	D510 G533 F534 A535 M606 L807 Y830	D510-F513 WeakPolarHBondContact O-CA 3.31Å; D510-F513 WeakPolarHBondContact O-CB 3.48Å; D510-F513 PolarHBondContact O-N 2.9Å; F513-G533 CarbonylContact O-C 3.6Å; F513-G533 VanDerWaalsContact O-C 3.24Å; F513-G533 WeakPolarHBondContact O-CA 3.29Å; F513-F534 HydrophobicContact CD1-CB 3.98Å; F513-F534 HydrophobicContact CD1-CD1 4.12Å; F513-F534 HydrophobicContact CD1-CG 4.26Å; F513-F534 HydrophobicContact CE1-CD1 4.44Å; F513-F534 PolarHBondContact O-N 3.25Å; F513-A535 HydrophobicContact CB-CB 4.22Å; F513-A535 WeakPolarHBondContact O-CB 3.41Å; F513-A535 PolarHBondContact O-N 2.87Å; F513-M606 HydrophobicContact CE1-CE 4.17Å; F513-M606 HydrophobicContact CE1-SD 3.83Å; F513-M606 HydrophobicContact CZ-SD 4.19Å; F513-L807 HydrophobicContact CE2-CD2 3.99Å; F513-Y830 HydrophobicContact CE1-CD2 4.08Å; F513-Y830 AromaticContact CE1-CE2 3.75Å; F513-Y830 HydrophobicContact CE1-CE2 3.75Å; F513-Y830 HydrophobicContact CE2-CE2 4.09Å; F513-Y830 HydrophobicContact CZ-CD2 4.28Å; F513-Y830 AromaticContact CZ-CE2 3.49Å; F513-Y830 HydrophobicContact CZ-CE2 3.49Å; F513-Y830 VanDerWaalsContact CZ-CE2 3.49Å
514	V	95.9	Very high	90.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-141.5	119.6	-179.5	-172.6	0	0	0	0	108.7	T507 I508 D510 W531 T532 A535 M536 A587	T507-V514 HydrophobicContact CG2-CG1 4.07Å; T507-V514 WeakPolarHBondContact OG1-CG1 3.37Å; T507-V514 WeakPolarHBondContact OG1-CG2 3.36Å; I508-V514 WeakPolarHBondContact O-CB 3.44Å; I508-V514 WeakPolarHBondContact O-CG1 3.2Å; I508-V514 WeakPolarHBondContact O-CG2 3.25Å; D510-V514 CarbonylContact C-O 3.46Å; D510-V514 VanDerWaalsContact C-O 3.32Å; D510-V514 PolarHBondContact N-O 3.22Å; D510-V514 PolarHBondContact O-N 3.44Å; V514-W531 HydrophobicContact CG1-CE3 3.72Å; V514-W531 HydrophobicContact CG1-CZ3 4.06Å; V514-T532 CarbonylContact C-O 3.49Å; V514-T532 WeakPolarHBondContact CA-O 3.47Å; V514-A535 HydrophobicContact CG2-CB 4.13Å; V514-M536 HydrophobicContact CG1-CG 4.47Å; V514-M536 HydrophobicContact CG1-SD 4.5Å; V514-M536 HydrophobicContact CG2-CE 4.09Å; V514-A587 HydrophobicContact CG2-CB 4.23Å
515	I	94	Very high	89.9	Confident	18 Å²	18	51.6 Å²	51.6	9%	0.092	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	128.5	-175.8	-51.6	176.2	0	0	0	107.5	P511 E517 W531 T532 W865 Y869	P511-I515 HydrophobicContact CB-CD1 4.48Å; P511-I515 HydrophobicContact CB-CG1 4.08Å; P511-I515 HydrophobicContact CG-CG1 4.31Å; I515-E517 HydrophobicContact CG2-CG 3.91Å; I515-W531 WeakPolarHBondContact O-CA 3.49Å; I515-T532 PolarHBondContact N-O 2.82Å; I515-T532 PolarHBondContact O-N 2.98Å; I515-W865 HydrophobicContact CD1-CZ3 4.14Å; I515-Y869 HydrophobicContact CD1-CD1 4.45Å; I515-Y869 HydrophobicContact CD1-CE1 3.56Å
516	F	92.8	Very high	89.3	Confident	80 Å²	80	58.4 Å²	58.4	35%	0.351	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	110.9	175.3	-176.6	-114	0	0	0	110.2	P518 Q530 W531	F516-P518 HydrophobicContact CD1-CG 4.44Å; F516-P518 HydrophobicContact CE1-CB 4.2Å; F516-P518 HydrophobicContact CE1-CG 3.9Å; F516-P518 HydrophobicContact CZ-CB 4.09Å; F516-P518 HydrophobicContact CZ-CG 4.3Å; F516-Q530 HydrophobicContact CD2-CB 4.33Å; F516-Q530 HydrophobicContact CE2-CB 3.91Å; F516-W531 HydrophobicContact CB-CE3 4.12Å; F516-W531 HydrophobicContact CB-CH2 4.15Å; F516-W531 HydrophobicContact CB-CZ3 3.77Å; F516-W531 AromaticContact CD2-CD2 3.98Å; F516-W531 HydrophobicContact CD2-CD2 3.98Å; F516-W531 AromaticContact CD2-CE2 3.7Å; F516-W531 HydrophobicContact CD2-CE3 4.07Å; F516-W531 AromaticContact CD2-CH2 3.69Å; F516-W531 HydrophobicContact CD2-CH2 3.69Å; F516-W531 AromaticContact CD2-CZ2 3.56Å; F516-W531 HydrophobicContact CD2-CZ2 3.56Å; F516-W531 AromaticContact CD2-CZ3 3.95Å; F516-W531 HydrophobicContact CD2-CZ3 3.95Å; F516-W531 HydrophobicContact CE2-CH2 4.45Å; F516-W531 AromaticContact CE2-CZ2 3.97Å; F516-W531 HydrophobicContact CE2-CZ2 3.97Å; F516-W531 HydrophobicContact CG-CH2 4.14Å; F516-W531 HydrophobicContact CG-CZ2 4.44Å; F516-W531 HydrophobicContact CG-CZ3 4.22Å
517	E	88.5	Confident	88.9	Confident	45 Å²	45	60.6 Å²	60.6	21%	0.21	32%	0.319	C	S	.	.			trans	-123.7	87.4	179.5	-67.7	-175.5	168.1	0	0	110	I515 Y519 R520 Q530 Y869	I515-E517 HydrophobicContact CG2-CG 3.91Å; E517-Y519 PolarHBondContact O-N 3.42Å; E517-R520 IonicContact OE2-CZ 2.75Å; E517-R520 IonicContact OE2-NE 3.64Å; E517-R520 PolarHBondContact OE2-NE 2.9Å; E517-R520 IonicContact OE2-NH2 3.81Å; E517-R520 PolarHBondContact OE2-NH2 3.26Å; E517-Q530 CarbonylContact C-O 3.55Å; E517-Q530 PolarHBondContact N-O 3.1Å; E517-Y869 PolarHBondContact OE1-OH 3.33Å
518	P	87.6	Confident	88.5	Confident	40 Å²	40	62.8 Å²	62.8	26%	0.26	33%	0.331	S	S	.	.	S	Bend	trans	-68.2	-20.1	-179.9	25.2	-32.3	0	0	0	113.4	F516 L525	F516-P518 HydrophobicContact CD1-CG 4.44Å; F516-P518 HydrophobicContact CE1-CB 4.2Å; F516-P518 HydrophobicContact CE1-CG 3.9Å; F516-P518 HydrophobicContact CZ-CB 4.09Å; F516-P518 HydrophobicContact CZ-CG 4.3Å; P518-L525 PolarHBondContact O-N 3.32Å
519	Y	84.1	Confident	88.3	Confident	155 Å²	155	67.2 Å²	67.2	61%	0.608	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.4	127.7	177.2	-60.7	-87.1	0	0	0	110.2	E517 V523 H524	E517-Y519 PolarHBondContact O-N 3.42Å; Y519-V523 WeakPolarHBondContact CA-O 3.47Å; Y519-H524 HydrophobicContact CD1-CB 4.13Å; Y519-H524 HydrophobicContact CE1-CB 3.86Å; Y519-H524 AromaticContact CE1-CD2 3.59Å; Y519-H524 AromaticContact CZ-CD2 3.71Å
520	R	81	Confident	88.3	Confident	91 Å²	91	63.9 Å²	63.9	34%	0.343	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	124.2	172	-165	178.4	-62.3	124	22.9	109.4	E517 G522 V523 L525 D529	E517-R520 IonicContact OE2-CZ 2.75Å; E517-R520 IonicContact OE2-NE 3.64Å; E517-R520 PolarHBondContact OE2-NE 2.9Å; E517-R520 IonicContact OE2-NH2 3.81Å; E517-R520 PolarHBondContact OE2-NH2 3.26Å; R520-G522 PolarHBondContact O-N 3.39Å; R520-G522 VanDerWaalsContact O-N 3.14Å; R520-V523 PolarHBondContact N-O 3.41Å; R520-V523 VanDerWaalsContact N-O 3.11Å; R520-V523 PolarHBondContact O-N 2.87Å; R520-L525 HydrophobicContact CB-CD1 3.74Å; R520-L525 HydrophobicContact CB-CG 4.5Å; R520-D529 PolarHBondContact NH2-O 2.88Å
521	Q	80	Confident	88.4	Confident	196 Å²	196	64.3 Å²	64.3	92%	0.916	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	33.6	-178.5	-61	177.4	-9.5	0	0	114	V523	Q521-V523 VanDerWaalsContact C-N 3.32Å; Q521-V523 PolarHBondContact O-N 2.7Å
522	G	80.4	Confident	88.5	Confident	75 Å²	75	64.1 Å²	64.1	77%	0.773	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	-3.5	-180	0	0	0	0	0	115.4	R520	R520-G522 PolarHBondContact O-N 3.39Å; R520-G522 VanDerWaalsContact O-N 3.14Å
523	V	84.2	Confident	88.5	Confident	90 Å²	90	64.1 Å²	64.1	55%	0.545	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	130.2	175.4	-176.6	0	0	0	0	109.7	Y519 R520 Q521 L525	Y519-V523 WeakPolarHBondContact CA-O 3.47Å; R520-V523 PolarHBondContact N-O 3.41Å; R520-V523 VanDerWaalsContact N-O 3.11Å; R520-V523 PolarHBondContact O-N 2.87Å; Q521-V523 VanDerWaalsContact C-N 3.32Å; Q521-V523 PolarHBondContact O-N 2.7Å; V523-L525 HydrophobicContact CG1-CD2 4.46Å; V523-L525 PolarHBondContact O-N 3.45Å
524	H	85.1	Confident	88.6	Confident	91 Å²	91	64.2 Å²	64.2	42%	0.421	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	121.3	170.2	-179.4	-105.3	0	0	0	109.2	Y519 E526	Y519-H524 HydrophobicContact CD1-CB 4.13Å; Y519-H524 HydrophobicContact CE1-CB 3.86Å; Y519-H524 AromaticContact CE1-CD2 3.59Å; Y519-H524 AromaticContact CZ-CD2 3.71Å; H524-E526 IonicContact CE1-OE1 3.69Å; H524-E526 IonicContact ND1-OE1 3.54Å
525	L	86.1	Confident	88.6	Confident	27 Å²	27	64.2 Å²	64.2	14%	0.141	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-95.3	144.6	178.7	-59.7	177.1	0	0	0	109.4	P518 R520 V523 D529 Q530	P518-L525 PolarHBondContact O-N 3.32Å; R520-L525 HydrophobicContact CB-CD1 3.74Å; R520-L525 HydrophobicContact CB-CG 4.5Å; V523-L525 HydrophobicContact CG1-CD2 4.46Å; V523-L525 PolarHBondContact O-N 3.45Å; L525-D529 HydrophobicContact CB-CB 4.24Å; L525-D529 WeakPolarHBondContact CD1-O 3.46Å; L525-D529 HydrophobicContact CD2-CB 4.39Å; L525-Q530 HydrophobicContact CB-CG 4.04Å; L525-Q530 WeakPolarHBondContact O-CG 3.25Å; L525-Q530 PolarHBondContact O-NE2 3.32Å
526	E	84.3	Confident	88.7	Confident	143 Å²	143	63.8 Å²	63.8	67%	0.668	34%	0.336	S	S	*	.			trans	-124.6	147	179.7	-67.9	-171.2	174.2	0	0	111.3	H524 N528	H524-E526 IonicContact CE1-OE1 3.69Å; H524-E526 IonicContact ND1-OE1 3.54Å; E526-N528 PolarHBondContact O-N 3.12Å
527	G	87.1	Confident	88.9	Confident	46 Å²	46	62.8 Å²	62.8	47%	0.474	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	65.7	-131.5	177.4	0	0	0	0	0	113.1	D529 Q530	G527-D529 VanDerWaalsContact C-N 3.27Å; G527-D529 PolarHBondContact O-N 3.05Å; G527-Q530 WeakPolarHBondContact O-CB 3.31Å; G527-Q530 WeakPolarHBondContact O-CG 3.5Å; G527-Q530 PolarHBondContact O-N 3.14Å; G527-Q530 PolarHBondContact O-OE1 3.24Å
528	N	89.1	Confident	89.3	Confident	47 Å²	47	60.6 Å²	60.6	25%	0.251	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-66.5	-27.5	-173.5	-65.6	-19.3	0	0	0	113.1	E526 Q530 W531 Y550 I552	E526-N528 PolarHBondContact O-N 3.12Å; N528-Q530 PolarHBondContact O-N 2.99Å; N528-Q530 VanDerWaalsContact O-N 3.17Å; N528-W531 PolarHBondContact O-N 3.25Å; N528-W531 VanDerWaalsContact O-N 3.09Å; N528-Y550 HydrophobicContact CB-CE2 4.25Å; N528-Y550 PolarHBondContact ND2-O 3.31Å; N528-I552 HydrophobicContact CB-CD1 4.23Å; N528-I552 PolarHBondContact OD1-N 2.68Å
529	D	88.9	Confident	89.7	Confident	108 Å²	108	58.8 Å²	58.8	58%	0.578	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-68.1	-16.9	-175.5	-67.9	-26	0	0	0	113.1	R520 L525 G527 W531	R520-D529 PolarHBondContact NH2-O 2.88Å; L525-D529 HydrophobicContact CB-CB 4.24Å; L525-D529 WeakPolarHBondContact CD1-O 3.46Å; L525-D529 HydrophobicContact CD2-CB 4.39Å; G527-D529 VanDerWaalsContact C-N 3.27Å; G527-D529 PolarHBondContact O-N 3.05Å; D529-W531 PolarHBondContact O-N 3.45Å
530	Q	91.5	Very high	90.3	Very high	41 Å²	41	55.6 Å²	55.6	19%	0.192	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-67.1	-17.1	173.7	-60.2	-177.4	-52.9	0	0	113	F516 E517 L525 G527 N528	F516-Q530 HydrophobicContact CD2-CB 4.33Å; F516-Q530 HydrophobicContact CE2-CB 3.91Å; E517-Q530 CarbonylContact C-O 3.55Å; E517-Q530 PolarHBondContact N-O 3.1Å; L525-Q530 HydrophobicContact CB-CG 4.04Å; L525-Q530 WeakPolarHBondContact O-CG 3.25Å; L525-Q530 PolarHBondContact O-NE2 3.32Å; G527-Q530 WeakPolarHBondContact O-CB 3.31Å; G527-Q530 WeakPolarHBondContact O-CG 3.5Å; G527-Q530 PolarHBondContact O-N 3.14Å; G527-Q530 PolarHBondContact O-OE1 3.24Å; N528-Q530 PolarHBondContact O-N 2.99Å; N528-Q530 VanDerWaalsContact O-N 3.17Å
531	W	94.1	Very high	91	Very high	29 Å²	29	53.8 Å²	53.8	11%	0.11	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	129	-174.5	-59.5	91	0	0	0	110.9	T507 V514 I515 F516 N528 D529 M536 I552 P554	T507-W531 HydrophobicContact CG2-CE3 4.3Å; T507-W531 HydrophobicContact CG2-CZ3 4.35Å; V514-W531 HydrophobicContact CG1-CE3 3.72Å; V514-W531 HydrophobicContact CG1-CZ3 4.06Å; I515-W531 WeakPolarHBondContact O-CA 3.49Å; F516-W531 HydrophobicContact CB-CE3 4.12Å; F516-W531 HydrophobicContact CB-CH2 4.15Å; F516-W531 HydrophobicContact CB-CZ3 3.77Å; F516-W531 AromaticContact CD2-CD2 3.98Å; F516-W531 HydrophobicContact CD2-CD2 3.98Å; F516-W531 AromaticContact CD2-CE2 3.7Å; F516-W531 HydrophobicContact CD2-CE3 4.07Å; F516-W531 AromaticContact CD2-CH2 3.69Å; F516-W531 HydrophobicContact CD2-CH2 3.69Å; F516-W531 AromaticContact CD2-CZ2 3.56Å; F516-W531 HydrophobicContact CD2-CZ2 3.56Å; F516-W531 AromaticContact CD2-CZ3 3.95Å; F516-W531 HydrophobicContact CD2-CZ3 3.95Å; F516-W531 HydrophobicContact CE2-CH2 4.45Å; F516-W531 AromaticContact CE2-CZ2 3.97Å; F516-W531 HydrophobicContact CE2-CZ2 3.97Å; F516-W531 HydrophobicContact CG-CH2 4.14Å; F516-W531 HydrophobicContact CG-CZ2 4.44Å; F516-W531 HydrophobicContact CG-CZ3 4.22Å; N528-W531 PolarHBondContact O-N 3.25Å; N528-W531 VanDerWaalsContact O-N 3.09Å; D529-W531 PolarHBondContact O-N 3.45Å; W531-M536 HydrophobicContact CB-CG 4.1Å; W531-M536 HydrophobicContact CB-SD 3.94Å; W531-I552 HydrophobicContact CB-CD1 3.7Å; W531-I552 HydrophobicContact CD2-CG2 4.08Å; W531-I552 HydrophobicContact CG-CD1 3.89Å; W531-I552 HydrophobicContact CG-CG2 3.96Å; W531-P554 HydrophobicContact CH2-CB 3.78Å; W531-P554 HydrophobicContact CH2-CG 4.2Å; W531-P554 HydrophobicContact CZ2-CB 3.9Å; W531-P554 HydrophobicContact CZ2-CG 3.86Å
532	T	93.4	Very high	91.8	Very high	24 Å²	24	44.5 Å²	44.5	15%	0.147	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	175.9	176.4	54.6	0	0	0	0	111.5	V514 I515 M536	V514-T532 CarbonylContact C-O 3.49Å; V514-T532 WeakPolarHBondContact CA-O 3.47Å; I515-T532 PolarHBondContact N-O 2.82Å; I515-T532 PolarHBondContact O-N 2.98Å; T532-M536 WeakPolarHBondContact O-CG 3.3Å
533	G	94.7	Very high	92.4	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.01	22%	0.222	C	C	.	.	S	Bend	trans	121.2	171.6	-179.1	0	0	0	0	0	112.4	P512 F513 A535 M536 E537	P512-G533 CarbonylContact O-C 3.52Å; P512-G533 WeakPolarHBondContact O-CA 3.47Å; F513-G533 CarbonylContact O-C 3.6Å; F513-G533 VanDerWaalsContact O-C 3.24Å; F513-G533 WeakPolarHBondContact O-CA 3.29Å; G533-A535 VanDerWaalsContact C-N 3.3Å; G533-A535 PolarHBondContact O-N 2.79Å; G533-M536 PolarHBondContact O-N 2.86Å; G533-M536 VanDerWaalsContact O-N 3.13Å; G533-E537 PolarHBondContact O-N 3Å
534	F	97.2	Very high	92.8	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	22%	0.222	C	C	.	.	H	α-helix	trans	-54	-45.7	-176.5	-179.1	-76.8	0	0	0	112.4	P512 F513 M536 L538 F605 M606 L858 M861 R862 W865 L866	P512-F534 PolarHBondContact O-N 2.88Å; F513-F534 HydrophobicContact CD1-CB 3.98Å; F513-F534 HydrophobicContact CD1-CD1 4.12Å; F513-F534 HydrophobicContact CD1-CG 4.26Å; F513-F534 HydrophobicContact CE1-CD1 4.44Å; F513-F534 PolarHBondContact O-N 3.25Å; F534-M536 VanDerWaalsContact C-N 3.33Å; F534-M536 PolarHBondContact O-N 3.36Å; F534-L538 WeakPolarHBondContact O-CB 3.4Å; F534-L538 PolarHBondContact O-N 3.43Å; F534-F605 HydrophobicContact CD1-CD2 4.43Å; F534-F605 HydrophobicContact CD1-CE2 4.07Å; F534-F605 AromaticContact CE1-CD2 3.59Å; F534-F605 HydrophobicContact CE1-CD2 3.59Å; F534-F605 AromaticContact CE1-CE2 3.66Å; F534-F605 HydrophobicContact CE1-CE2 3.66Å; F534-F605 HydrophobicContact CZ-CD2 4.4Å; F534-M606 HydrophobicContact CD1-CE 4.15Å; F534-M606 HydrophobicContact CD2-CE 3.91Å; F534-M606 HydrophobicContact CE1-CE 3.74Å; F534-M606 HydrophobicContact CE2-CE 3.42Å; F534-M606 VanDerWaalsContact CE2-CE 3.42Å; F534-M606 HydrophobicContact CG-CE 4.27Å; F534-M606 HydrophobicContact CZ-CE 3.35Å; F534-L858 HydrophobicContact CZ-CD2 4.27Å; F534-M861 HydrophobicContact CD2-CB 3.9Å; F534-M861 HydrophobicContact CE2-CB 3.59Å; F534-M861 HydrophobicContact CZ-CB 4.38Å; F534-M861 HydrophobicContact CZ-CE 4.49Å; F534-R862 HydrophobicContact CE2-CB 4.2Å; F534-W865 HydrophobicContact CB-CB 4Å; F534-W865 HydrophobicContact CB-CD2 4.48Å; F534-W865 HydrophobicContact CB-CG 3.8Å; F534-W865 HydrophobicContact CD2-CB 4.22Å; F534-W865 AromaticContact CD2-CD1 3.82Å; F534-W865 HydrophobicContact CD2-CG 4.3Å; F534-L866 HydrophobicContact CD2-CD1 4.36Å
535	A	96.9	Very high	93.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-72.5	-30	-176.3	0	0	0	0	0	111.7	F513 V514 G533 L539 V586	F513-A535 HydrophobicContact CB-CB 4.22Å; F513-A535 WeakPolarHBondContact O-CB 3.41Å; F513-A535 PolarHBondContact O-N 2.87Å; V514-A535 HydrophobicContact CG2-CB 4.13Å; G533-A535 VanDerWaalsContact C-N 3.3Å; G533-A535 PolarHBondContact O-N 2.79Å; A535-L539 WeakPolarHBondContact O-CB 3.44Å; A535-L539 PolarHBondContact O-N 3.15Å; A535-V586 HydrophobicContact CB-CG1 3.92Å; A535-V586 WeakPolarHBondContact O-CG1 3.5Å
536	M	96.3	Very high	93.2	Very high	10 Å²	10	41.6 Å²	41.6	5%	0.049	21%	0.214	C	C	.	.	H	α-helix	trans	-74.5	-39.9	176.2	-60.1	-62	95.3	0	0	111.8	V514 W531 T532 G533 F534 L539 Q540 I552 V586	V514-M536 HydrophobicContact CG1-CG 4.47Å; V514-M536 HydrophobicContact CG1-SD 4.5Å; V514-M536 HydrophobicContact CG2-CE 4.09Å; W531-M536 HydrophobicContact CB-CG 4.1Å; W531-M536 HydrophobicContact CB-SD 3.94Å; T532-M536 WeakPolarHBondContact O-CG 3.3Å; G533-M536 PolarHBondContact O-N 2.86Å; G533-M536 VanDerWaalsContact O-N 3.13Å; F534-M536 VanDerWaalsContact C-N 3.33Å; F534-M536 PolarHBondContact O-N 3.36Å; M536-L539 WeakPolarHBondContact O-CB 3.35Å; M536-L539 PolarHBondContact O-N 2.95Å; M536-Q540 PolarHBondContact O-N 3.34Å; M536-I552 HydrophobicContact SD-CD1 3.61Å; M536-V586 HydrophobicContact CE-CB 4.25Å; M536-V586 HydrophobicContact CE-CG1 3.9Å
537	E	96.3	Very high	93.4	Very high	58 Å²	58	40 Å²	40	27%	0.271	21%	0.206	S	C	.	.	H	α-helix	trans	-65.9	-40.6	173.5	-169.1	177.3	169.4	0	0	111.3	G533 L539 Q540 H541 M861 W865	G533-E537 PolarHBondContact O-N 3Å; E537-L539 PolarHBondContact O-N 2.95Å; E537-Q540 WeakPolarHBondContact O-CB 3.27Å; E537-Q540 PolarHBondContact O-N 3.42Å; E537-H541 PolarHBondContact O-CD2 2.98Å; E537-H541 PolarHBondContact O-N 3.36Å; E537-M861 HydrophobicContact CB-SD 4.07Å; E537-M861 HydrophobicContact CG-CG 4.48Å; E537-M861 HydrophobicContact CG-SD 3.69Å; E537-W865 PolarHBondContact OE2-NE1 3.34Å
538	L	97.4	Very high	93.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-56.2	-49.4	171	174.4	61.7	0	0	0	111.2	F534 Q540 H541 L542 F605 L852 L858 M861	F534-L538 WeakPolarHBondContact O-CB 3.4Å; F534-L538 PolarHBondContact O-N 3.43Å; L538-Q540 VanDerWaalsContact C-N 3.28Å; L538-Q540 PolarHBondContact O-N 2.86Å; L538-H541 WeakPolarHBondContact O-CB 3.36Å; L538-H541 PolarHBondContact O-N 3.21Å; L538-H541 VanDerWaalsContact O-N 3.16Å; L538-L542 HydrophobicContact CD1-CD1 4.11Å; L538-L542 HydrophobicContact CD1-CG 4.15Å; L538-L542 HydrophobicContact CG-CD1 4Å; L538-L542 HydrophobicContact CG-CG 4.45Å; L538-L542 VanDerWaalsContact O-CG 3.31Å; L538-L542 WeakPolarHBondContact O-CG 3.39Å; L538-L542 PolarHBondContact O-N 3.02Å; L538-F605 HydrophobicContact CD2-CB 3.7Å; L538-F605 HydrophobicContact CD2-CD1 3.59Å; L538-F605 HydrophobicContact CD2-CD2 3.73Å; L538-F605 HydrophobicContact CD2-CE1 4.08Å; L538-F605 HydrophobicContact CD2-CE2 4.21Å; L538-F605 HydrophobicContact CD2-CG 3.38Å; L538-F605 HydrophobicContact CD2-CZ 4.36Å; L538-L852 HydrophobicContact CD1-CD1 3.72Å; L538-L858 HydrophobicContact CD1-CD2 3.79Å; L538-M861 HydrophobicContact CD1-CE 4.49Å
539	L	96.8	Very high	93.6	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-58.1	-40.9	177.5	179.4	59	0	0	0	112	V505 A535 M536 E537 L542 S543 F548 Y550 V586	V505-L539 HydrophobicContact CB-CD2 4.35Å; V505-L539 HydrophobicContact CG1-CD2 3.94Å; V505-L539 HydrophobicContact CG2-CD1 4.32Å; V505-L539 HydrophobicContact CG2-CD2 4.06Å; A535-L539 WeakPolarHBondContact O-CB 3.44Å; A535-L539 PolarHBondContact O-N 3.15Å; M536-L539 WeakPolarHBondContact O-CB 3.35Å; M536-L539 PolarHBondContact O-N 2.95Å; E537-L539 PolarHBondContact O-N 2.95Å; L539-L542 PolarHBondContact O-N 3.36Å; L539-S543 WeakPolarHBondContact O-CB 3.47Å; L539-S543 PolarHBondContact O-N 3.47Å; L539-F548 HydrophobicContact CD1-CE2 4.21Å; L539-F548 HydrophobicContact CD1-CZ 4.32Å; L539-Y550 HydrophobicContact CD1-CD1 4.48Å; L539-Y550 HydrophobicContact CD1-CG 4.48Å; L539-Y550 HydrophobicContact CD2-CD2 3.6Å; L539-Y550 HydrophobicContact CD2-CE2 3.56Å; L539-Y550 HydrophobicContact CD2-CG 4.13Å; L539-Y550 HydrophobicContact CG-CD1 4.25Å; L539-Y550 HydrophobicContact CG-CD2 4.14Å; L539-Y550 HydrophobicContact CG-CE1 4.1Å; L539-Y550 HydrophobicContact CG-CE2 3.99Å; L539-Y550 HydrophobicContact CG-CG 4.26Å; L539-V586 HydrophobicContact CB-CG1 4.33Å; L539-V586 HydrophobicContact CD1-CG2 4.27Å
540	Q	95.9	Very high	93.8	Very high	88 Å²	88	36.5 Å²	36.5	41%	0.411	17%	0.174	S	C	.	.	H	α-helix	trans	-64.3	-40.4	177.1	-165	-175.9	17.6	0	0	112	M536 E537 L538 K544	M536-Q540 PolarHBondContact O-N 3.34Å; E537-Q540 WeakPolarHBondContact O-CB 3.27Å; E537-Q540 PolarHBondContact O-N 3.42Å; L538-Q540 VanDerWaalsContact C-N 3.28Å; L538-Q540 PolarHBondContact O-N 2.86Å; Q540-K544 WeakPolarHBondContact O-CG 3.35Å; Q540-K544 PolarHBondContact O-N 2.69Å
541	H	96.2	Very high	93.9	Very high	54 Å²	54	38.5 Å²	38.5	25%	0.25	19%	0.185	C	C	.	.	H	α-helix	trans	-63.1	-44.6	173.3	-86.8	-74.1	0	0	0	112	E537 L538 K544 M545 L852	E537-H541 PolarHBondContact O-CD2 2.98Å; E537-H541 PolarHBondContact O-N 3.36Å; L538-H541 WeakPolarHBondContact O-CB 3.36Å; L538-H541 PolarHBondContact O-N 3.21Å; L538-H541 VanDerWaalsContact O-N 3.16Å; H541-K544 PolarHBondContact O-N 3.06Å; H541-M545 WeakPolarHBondContact O-CB 3.47Å; H541-M545 VanDerWaalsContact O-CG 3.25Å; H541-M545 WeakPolarHBondContact O-CG 3.38Å; H541-M545 PolarHBondContact O-N 3.47Å; H541-L852 HydrophobicContact CB-CD1 3.97Å; H541-L852 HydrophobicContact CB-CD2 4.22Å
542	L	95.4	Very high	94	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-64.2	-41.4	178.8	-65.9	173.8	0	0	0	112.1	L538 L539 M545 N546 F548 I832 L845 S848 I849 L852	L538-L542 HydrophobicContact CD1-CD1 4.11Å; L538-L542 HydrophobicContact CD1-CG 4.15Å; L538-L542 HydrophobicContact CG-CD1 4Å; L538-L542 HydrophobicContact CG-CG 4.45Å; L538-L542 VanDerWaalsContact O-CG 3.31Å; L538-L542 WeakPolarHBondContact O-CG 3.39Å; L538-L542 PolarHBondContact O-N 3.02Å; L539-L542 PolarHBondContact O-N 3.36Å; L542-M545 PolarHBondContact O-N 3.44Å; L542-N546 WeakPolarHBondContact O-CB 3.5Å; L542-N546 PolarHBondContact O-N 3.13Å; L542-N546 PolarHBondContact O-ND2 3.07Å; L542-F548 HydrophobicContact CB-CE1 4.35Å; L542-F548 HydrophobicContact CB-CZ 4.1Å; L542-F548 WeakPolarHBondContact O-CE1 3.5Å; L542-I832 HydrophobicContact CD1-CD1 3.32Å; L542-L845 HydrophobicContact CB-CD2 4.22Å; L542-L845 HydrophobicContact CD1-CD2 4.36Å; L542-S848 VanDerWaalsContact CD2-CB 3.44Å; L542-I849 HydrophobicContact CD1-CG1 4.36Å; L542-I849 HydrophobicContact CD2-CG1 4.06Å; L542-L852 HydrophobicContact CD2-CD1 4.05Å
543	S	93.6	Very high	93.9	Very high	18 Å²	18	41.8 Å²	41.8	13%	0.126	20%	0.199	C	C	.	.	H	α-helix	trans	-60.4	-45.9	174.5	163.2	0	0	0	0	111.6	L539 H547 F548	L539-S543 WeakPolarHBondContact O-CB 3.47Å; L539-S543 PolarHBondContact O-N 3.47Å; S543-H547 WeakPolarHBondContact O-CA 3.48Å; S543-H547 PolarHBondContact O-N 3.29Å; S543-F548 WeakPolarHBondContact CB-O 3.26Å; S543-F548 PolarHBondContact O-N 3.1Å; S543-F548 PolarHBondContact OG-O 3.31Å
544	K	92.7	Very high	93.9	Very high	127 Å²	127	45.3 Å²	45.3	55%	0.552	22%	0.221	S	C	*	.	H	α-helix	trans	-64.9	-39.5	177.5	-73.8	172.5	-177.1	169.8	0	113.2	Q540 H541	Q540-K544 WeakPolarHBondContact O-CG 3.35Å; Q540-K544 PolarHBondContact O-N 2.69Å; H541-K544 PolarHBondContact O-N 3.06Å
545	M	91.4	Very high	93.7	Very high	58 Å²	58	45.6 Å²	45.6	29%	0.286	22%	0.223	S	C	.	.	H	α-helix	trans	-72.1	-33.8	-178.6	-72.7	172.3	63.6	0	0	113	H541 L542 K851 L852	H541-M545 WeakPolarHBondContact O-CB 3.47Å; H541-M545 VanDerWaalsContact O-CG 3.25Å; H541-M545 WeakPolarHBondContact O-CG 3.38Å; H541-M545 PolarHBondContact O-N 3.47Å; L542-M545 PolarHBondContact O-N 3.44Å; M545-K851 HydrophobicContact CE-CB 4.04Å; M545-K851 HydrophobicContact CE-CD 3.74Å; M545-K851 HydrophobicContact CE-CG 4.01Å; M545-L852 HydrophobicContact CE-CG 4.39Å; M545-L852 HydrophobicContact SD-CD1 4.14Å; M545-L852 HydrophobicContact SD-CD2 3.64Å; M545-L852 HydrophobicContact SD-CG 3.75Å
546	N	89.1	Confident	93.3	Very high	18 Å²	18	50.4 Å²	50.4	10%	0.096	26%	0.257	C	S	.	.	H	α-helix	trans	-109.3	2	-173.1	-61.5	-59.9	0	0	0	113.6	L542 F548 L844 S848	L542-N546 WeakPolarHBondContact O-CB 3.5Å; L542-N546 PolarHBondContact O-N 3.13Å; L542-N546 PolarHBondContact O-ND2 3.07Å; N546-F548 VanDerWaalsContact C-N 3.34Å; N546-F548 HydrophobicContact CB-CD1 3.62Å; N546-F548 HydrophobicContact CB-CE1 3.83Å; N546-F548 PolarHBondContact O-N 3.1Å; N546-L844 HydrophobicContact CB-CD2 4.15Å; N546-L844 WeakPolarHBondContact OD1-CD1 3.3Å; N546-L844 WeakPolarHBondContact OD1-CG 3.4Å; N546-S848 PolarHBondContact ND2-OG 3.17Å; N546-S848 PolarHBondContact OD1-OG 2.96Å
547	H	87.6	Confident	93	Very high	110 Å²	110	52.9 Å²	52.9	51%	0.509	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	42.3	176.8	-52.2	-64.8	0	0	0	114.5	M499 N500 S543	M499-H547 WeakPolarHBondContact CA-O 3.43Å; M499-H547 HydrophobicContact CE-CB 3.9Å; M499-H547 HydrophobicContact CG-CB 4.1Å; N500-H547 PolarHBondContact N-O 3.26Å; S543-H547 WeakPolarHBondContact O-CA 3.48Å; S543-H547 PolarHBondContact O-N 3.29Å
548	F	89.9	Confident	92.6	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.009	29%	0.291	C	S	.	.			trans	-110.9	152.7	172.1	67.7	-103	0	0	0	111.4	F503 L539 L542 S543 N546 Y550 L845	F503-F548 HydrophobicContact CD2-CB 3.83Å; F503-F548 AromaticContact CD2-CD2 3.58Å; F503-F548 HydrophobicContact CD2-CD2 3.58Å; F503-F548 HydrophobicContact CD2-CE2 4.25Å; F503-F548 AromaticContact CD2-CG 3.74Å; F503-F548 HydrophobicContact CD2-CG 3.74Å; F503-F548 HydrophobicContact CE2-CB 3.61Å; F503-F548 HydrophobicContact CE2-CD1 4.25Å; F503-F548 HydrophobicContact CE2-CD2 4.09Å; F503-F548 AromaticContact CE2-CG 3.74Å; F503-F548 HydrophobicContact CE2-CG 3.74Å; L539-F548 HydrophobicContact CD1-CE2 4.21Å; L539-F548 HydrophobicContact CD1-CZ 4.32Å; L542-F548 HydrophobicContact CB-CE1 4.35Å; L542-F548 HydrophobicContact CB-CZ 4.1Å; L542-F548 WeakPolarHBondContact O-CE1 3.5Å; S543-F548 WeakPolarHBondContact CB-O 3.26Å; S543-F548 PolarHBondContact O-N 3.1Å; S543-F548 PolarHBondContact OG-O 3.31Å; N546-F548 VanDerWaalsContact C-N 3.34Å; N546-F548 HydrophobicContact CB-CD1 3.62Å; N546-F548 HydrophobicContact CB-CE1 3.83Å; N546-F548 PolarHBondContact O-N 3.1Å; F548-Y550 HydrophobicContact CD2-CD1 4.46Å; F548-Y550 HydrophobicContact CE2-CD1 4.13Å; F548-L845 HydrophobicContact CE1-CD2 3.78Å; F548-L845 HydrophobicContact CZ-CD2 4.16Å
549	D	90	Very high	92.2	Very high	89 Å²	89	62.8 Å²	62.8	48%	0.476	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	161.1	172	-64.9	-48	0	0	0	110.2	K501 T502 F503	K501-D549 PolarHBondContact O-N 2.85Å; T502-D549 CarbonylContact C-O 3.32Å; T502-D549 VanDerWaalsContact CA-O 3.28Å; T502-D549 WeakPolarHBondContact CA-O 3.35Å; T502-D549 HydrophobicContact CG2-CB 4.09Å; F503-D549 PolarHBondContact N-O 3.04Å
550	Y	94.3	Very high	91.9	Very high	37 Å²	37	65.5 Å²	65.5	15%	0.145	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	157	177.5	60.8	-87.7	0	0	0	112.3	F503 V505 N528 L539 F548 I552	F503-Y550 CarbonylContact O-C 3.55Å; F503-Y550 WeakPolarHBondContact O-CA 3.37Å; V505-Y550 HydrophobicContact CG2-CD2 4.46Å; V505-Y550 HydrophobicContact CG2-CG 4.42Å; N528-Y550 HydrophobicContact CB-CE2 4.25Å; N528-Y550 PolarHBondContact ND2-O 3.31Å; L539-Y550 HydrophobicContact CD1-CD1 4.48Å; L539-Y550 HydrophobicContact CD1-CG 4.48Å; L539-Y550 HydrophobicContact CD2-CD2 3.6Å; L539-Y550 HydrophobicContact CD2-CE2 3.56Å; L539-Y550 HydrophobicContact CD2-CG 4.13Å; L539-Y550 HydrophobicContact CG-CD1 4.25Å; L539-Y550 HydrophobicContact CG-CD2 4.14Å; L539-Y550 HydrophobicContact CG-CE1 4.1Å; L539-Y550 HydrophobicContact CG-CE2 3.99Å; L539-Y550 HydrophobicContact CG-CG 4.26Å; F548-Y550 HydrophobicContact CD2-CD1 4.46Å; F548-Y550 HydrophobicContact CE2-CD1 4.13Å; Y550-I552 HydrophobicContact CD2-CG1 4.04Å; Y550-I552 HydrophobicContact CE2-CD1 4.1Å; Y550-I552 HydrophobicContact CE2-CG1 4.1Å
551	I	93.2	Very high	91.5	Very high	82 Å²	82	61.5 Å²	61.5	42%	0.421	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	123.2	172.3	-62.8	168.1	0	0	0	107.7	T502 F503 V505 K553	T502-I551 HydrophobicContact CG2-CD1 3.76Å; T502-I551 HydrophobicContact CG2-CG1 3.72Å; F503-I551 PolarHBondContact O-N 2.74Å; V505-I551 PolarHBondContact N-O 3.09Å; I551-K553 HydrophobicContact CG2-CG 4.41Å
552	I	95.1	Very high	90.9	Very high	16 Å²	16	61.2 Å²	61.2	8%	0.082	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	125.8	177.6	-60.3	171.1	0	0	0	109.5	V505 T507 N528 W531 M536 Y550	V505-I552 CarbonylContact O-C 3.45Å; V505-I552 WeakPolarHBondContact O-CA 3.17Å; T507-I552 HydrophobicContact CG2-CG2 3.54Å; N528-I552 HydrophobicContact CB-CD1 4.23Å; N528-I552 PolarHBondContact OD1-N 2.68Å; W531-I552 HydrophobicContact CB-CD1 3.7Å; W531-I552 HydrophobicContact CD2-CG2 4.08Å; W531-I552 HydrophobicContact CG-CD1 3.89Å; W531-I552 HydrophobicContact CG-CG2 3.96Å; M536-I552 HydrophobicContact SD-CD1 3.61Å; Y550-I552 HydrophobicContact CD2-CG1 4.04Å; Y550-I552 HydrophobicContact CE2-CD1 4.1Å; Y550-I552 HydrophobicContact CE2-CG1 4.1Å
553	K	92.4	Very high	90.3	Very high	106 Å²	106	65.4 Å²	65.4	46%	0.461	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	108.4	171.8	-67.2	-170	-173.4	173.8	0	109.1	I504 V505 T506 I551	I504-K553 HydrophobicContact CG2-CB 4.32Å; I504-K553 HydrophobicContact CG2-CD 3.71Å; I504-K553 HydrophobicContact CG2-CG 4.07Å; V505-K553 PolarHBondContact O-N 2.65Å; T506-K553 VanDerWaalsContact CA-O 3.28Å; T506-K553 WeakPolarHBondContact CA-O 3.44Å; I551-K553 HydrophobicContact CG2-CG 4.41Å
554	P	93.6	Very high	89.6	Confident	75 Å²	75	66.7 Å²	66.7	49%	0.487	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	145.9	-179.6	27.1	-34.9	0	0	0	111.2	T507 W531 S556	T507-P554 WeakPolarHBondContact O-CA 3.14Å; W531-P554 HydrophobicContact CH2-CB 3.78Å; W531-P554 HydrophobicContact CH2-CG 4.2Å; W531-P554 HydrophobicContact CZ2-CB 3.9Å; W531-P554 HydrophobicContact CZ2-CG 3.86Å; P554-S556 PolarHBondContact O-N 3.17Å
555	V	94.1	Very high	88.9	Confident	8 Å²	8	68.5 Å²	68.5	5%	0.048	34%	0.343	C	S	.	.			trans	-62.2	133.6	179.3	67.9	0	0	0	0	111.1	T507 I508 D557 L573	T507-V555 PolarHBondContact O-N 2.97Å; I508-V555 HydrophobicContact CB-CG1 3.96Å; I508-V555 HydrophobicContact CD1-CG1 4.37Å; I508-V555 HydrophobicContact CG1-CG1 4.15Å; V555-D557 WeakPolarHBondContact CG2-OD1 3.46Å; V555-D557 PolarHBondContact O-N 3.36Å; V555-L573 HydrophobicContact CB-CD2 3.79Å; V555-L573 HydrophobicContact CG1-CD2 4.13Å; V555-L573 HydrophobicContact CG2-CD2 4.25Å
556	S	89.3	Confident	88.1	Confident	100 Å²	100	70.7 Å²	70.7	70%	0.699	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-33.3	-170.5	57.3	0	0	0	0	115	P554	P554-S556 PolarHBondContact O-N 3.17Å
557	D	88.3	Confident	87.5	Confident	62 Å²	62	77.4 Å²	77.4	33%	0.332	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	2.2	-174.4	65.2	1.5	0	0	0	114	V555 K559 D571 G572	V555-D557 WeakPolarHBondContact CG2-OD1 3.46Å; V555-D557 PolarHBondContact O-N 3.36Å; D557-K559 VanDerWaalsContact C-N 3.27Å; D557-K559 PolarHBondContact O-N 2.97Å; D557-K559 PolarHBondContact OD1-N 3.39Å; D557-K559 VanDerWaalsContact OD1-N 3.13Å; D557-D571 WeakPolarHBondContact OD2-CB 3.31Å; D557-G572 VanDerWaalsContact OD1-CA 3.29Å; D557-G572 WeakPolarHBondContact OD1-CA 3.44Å; D557-G572 WeakPolarHBondContact OD2-CA 3.34Å; D557-G572 PolarHBondContact OD2-N 3.41Å
558	K	88.6	Confident	87	Confident	164 Å²	164	74.4 Å²	74.4	71%	0.713	39%	0.391	S	S	*	.			trans	54.5	36.9	-178.3	-55.8	-172.9	178.6	-167.9	0	114	I508	I508-K558 VanDerWaalsContact CD1-C 3.46Å; I508-K558 WeakPolarHBondContact CD1-O 3.31Å
559	K	89.3	Confident	86.6	Confident	103 Å²	103	80.3 Å²	80.3	45%	0.448	42%	0.417	S	S	.	.			trans	-120.7	153.4	174.1	-65.6	-179.7	-176.5	-175.5	0	112.1	D557 G561 D571 G572 L573	D557-K559 VanDerWaalsContact C-N 3.27Å; D557-K559 PolarHBondContact O-N 2.97Å; D557-K559 PolarHBondContact OD1-N 3.39Å; D557-K559 VanDerWaalsContact OD1-N 3.13Å; K559-G561 VanDerWaalsContact C-N 3.34Å; K559-D571 WeakPolarHBondContact CD-OD2 3.44Å; K559-D571 IonicContact NZ-OD2 3.88Å; K559-D571 PolarHBondContact NZ-OD2 3.01Å; K559-G572 CarbonylContact O-C 3.56Å; K559-G572 WeakPolarHBondContact O-CA 3.37Å; K559-L573 PolarHBondContact O-N 2.92Å; K559-L573 VanDerWaalsContact O-N 3.13Å
560	F	90.1	Very high	86.4	Confident	57 Å²	57	77.4 Å²	77.4	25%	0.25	40%	0.399	C	S	.	.			trans	-71.7	-30.7	171.7	-76.8	-85.4	0	0	0	112.9	I508 D510 L573 I574 A587 S588 F589	I508-F560 HydrophobicContact CD1-CD2 4.19Å; I508-F560 HydrophobicContact CD1-CE2 4.18Å; I508-F560 HydrophobicContact CG2-CD1 4.06Å; I508-F560 HydrophobicContact CG2-CE1 3.57Å; I508-F560 HydrophobicContact CG2-CE2 4.23Å; I508-F560 HydrophobicContact CG2-CZ 3.67Å; D510-F560 HydrophobicContact CB-CZ 4.34Å; F560-L573 HydrophobicContact CD1-CD1 3.84Å; F560-L573 HydrophobicContact CE1-CD1 4.39Å; F560-L573 WeakPolarHBondContact O-CB 3.36Å; F560-L573 PolarHBondContact O-N 2.77Å; F560-I574 PolarHBondContact O-N 3.22Å; F560-A587 HydrophobicContact CE1-CB 4.26Å; F560-S588 WeakPolarHBondContact CE1-O 3.43Å; F560-S588 WeakPolarHBondContact CZ-OG 3.48Å; F560-F589 HydrophobicContact CD1-CD2 4.05Å
561	G	87.6	Confident	86.1	Confident	4 Å²	4	76.7 Å²	76.7	4%	0.041	40%	0.398	C	S	.	.			trans	118.2	123	177.3	0	0	0	0	0	113.3	K559 D571 R595	K559-G561 VanDerWaalsContact C-N 3.34Å; G561-D571 WeakPolarHBondContact CA-O 3.38Å; G561-D571 WeakPolarHBondContact CA-OD1 3.44Å; G561-R595 PolarHBondContact O-NH2 3.35Å
562	T	84.1	Confident	86	Confident	49 Å²	49	72.9 Å²	72.9	30%	0.301	38%	0.379	S	S	.	.			trans	-134.2	150.1	176.7	46.5	0	0	0	0	108.6	D564 W570 D571 G754	T562-D564 PolarHBondContact O-N 3.21Å; T562-W570 VanDerWaalsContact C-CE3 3.49Å; T562-D571 PolarHBondContact N-OD1 3.45Å; T562-D571 PolarHBondContact O-N 3.05Å; T562-D571 PolarHBondContact OG1-OD1 3.48Å; T562-G754 VanDerWaalsContact CG2-O 3.25Å; T562-G754 WeakPolarHBondContact CG2-O 3.5Å
563	F	82.6	Confident	85.9	Confident	89 Å²	89	72.1 Å²	72.1	39%	0.39	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	113.6	175.9	-172.5	-108.9	0	0	0	109.2	E565 W570	F563-E565 HydrophobicContact CD1-CG 4.02Å; F563-E565 HydrophobicContact CE1-CG 4.25Å; F563-E565 PolarHBondContact O-N 3.26Å; F563-W570 HydrophobicContact CB-CD2 4.11Å; F563-W570 HydrophobicContact CB-CE3 4.06Å; F563-W570 HydrophobicContact CB-CH2 3.93Å; F563-W570 HydrophobicContact CB-CZ2 3.95Å; F563-W570 HydrophobicContact CB-CZ3 3.98Å; F563-W570 AromaticContact CD2-CD1 3.79Å; F563-W570 AromaticContact CD2-CD2 3.92Å; F563-W570 HydrophobicContact CD2-CD2 3.92Å; F563-W570 AromaticContact CD2-CE2 3.63Å; F563-W570 HydrophobicContact CD2-CG 4.04Å; F563-W570 HydrophobicContact CD2-CZ2 4.21Å; F563-W570 AromaticContact CD2-NE1 3.51Å; F563-W570 HydrophobicContact CG-CZ2 4.39Å
564	D	78.6	Confident	85.9	Confident	44 Å²	44	67.1 Å²	67.1	24%	0.235	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	98.3	174.8	-173	-12.7	0	0	0	108.8	T562 S566 K567 G568 K569	T562-D564 PolarHBondContact O-N 3.21Å; D564-S566 PolarHBondContact O-N 3.24Å; D564-S566 WeakPolarHBondContact OD1-CB 3.4Å; D564-S566 PolarHBondContact OD1-N 3.01Å; D564-S566 PolarHBondContact OD1-OG 3.23Å; D564-K567 HydrophobicContact CB-CB 4.38Å; D564-K567 PolarHBondContact O-N 2.76Å; D564-K567 PolarHBondContact OD1-N 2.96Å; D564-K567 VanDerWaalsContact OD2-CD 3.31Å; D564-K567 WeakPolarHBondContact OD2-CD 3.45Å; D564-K567 WeakPolarHBondContact OD2-CG 3.47Å; D564-K567 IonicContact OD2-NZ 3.25Å; D564-G568 WeakPolarHBondContact O-CA 3.03Å; D564-G568 PolarHBondContact O-N 2.9Å; D564-K569 PolarHBondContact N-O 3Å; D564-K569 PolarHBondContact O-N 3.26Å
565	E	78.4	Confident	85.6	Confident	165 Å²	165	63.7 Å²	63.7	77%	0.771	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-29.2	178.1	-69.1	-179.9	-173.5	0	0	112.5	F563	F563-E565 HydrophobicContact CD1-CG 4.02Å; F563-E565 HydrophobicContact CE1-CG 4.25Å; F563-E565 PolarHBondContact O-N 3.26Å
566	S	74.3	Confident	85.6	Confident	104 Å²	104	64.1 Å²	64.1	73%	0.727	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-34	-178.9	75.2	0	0	0	0	112.7	D564	D564-S566 PolarHBondContact O-N 3.24Å; D564-S566 WeakPolarHBondContact OD1-CB 3.4Å; D564-S566 PolarHBondContact OD1-N 3.01Å; D564-S566 PolarHBondContact OD1-OG 3.23Å
567	K	75.1	Confident	85.6	Confident	159 Å²	159	59.4 Å²	59.4	69%	0.691	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-12.6	179	-64.6	-179.9	-170.5	164.5	0	113.1	D564 K569	D564-K567 HydrophobicContact CB-CB 4.38Å; D564-K567 PolarHBondContact O-N 2.76Å; D564-K567 PolarHBondContact OD1-N 2.96Å; D564-K567 VanDerWaalsContact OD2-CD 3.31Å; D564-K567 WeakPolarHBondContact OD2-CD 3.45Å; D564-K567 WeakPolarHBondContact OD2-CG 3.47Å; D564-K567 IonicContact OD2-NZ 3.25Å; K567-K569 HydrophobicContact CB-CB 4.44Å; K567-K569 PolarHBondContact O-N 3.22Å
568	G	78	Confident	85.3	Confident	47 Å²	47	58.5 Å²	58.5	49%	0.485	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	28.3	-173	0	0	0	0	0	113.2	D564	D564-G568 WeakPolarHBondContact O-CA 3.03Å; D564-G568 PolarHBondContact O-N 2.9Å
569	K	81.3	Confident	85.1	Confident	126 Å²	126	54.8 Å²	54.8	55%	0.548	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.3	-173.8	-71.8	-169.3	-179.1	-176.3	0	111.5	D564 K567 Y579	D564-K569 PolarHBondContact N-O 3Å; D564-K569 PolarHBondContact O-N 3.26Å; K567-K569 HydrophobicContact CB-CB 4.44Å; K567-K569 PolarHBondContact O-N 3.22Å; K569-Y579 WeakPolarHBondContact CA-OH 3.31Å; K569-Y579 WeakPolarHBondContact CB-OH 3.34Å; K569-Y579 VanDerWaalsContact CG-OH 3.31Å; K569-Y579 WeakPolarHBondContact CG-OH 3.36Å
570	W	86.4	Confident	84.8	Confident	28 Å²	28	54.6 Å²	54.6	11%	0.106	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	134.2	170.9	-75.9	97.4	0	0	0	109.9	T562 F563 I574 G575 Y579 D594 V598	T562-W570 VanDerWaalsContact C-CE3 3.49Å; F563-W570 HydrophobicContact CB-CD2 4.11Å; F563-W570 HydrophobicContact CB-CE3 4.06Å; F563-W570 HydrophobicContact CB-CH2 3.93Å; F563-W570 HydrophobicContact CB-CZ2 3.95Å; F563-W570 HydrophobicContact CB-CZ3 3.98Å; F563-W570 AromaticContact CD2-CD1 3.79Å; F563-W570 AromaticContact CD2-CD2 3.92Å; F563-W570 HydrophobicContact CD2-CD2 3.92Å; F563-W570 AromaticContact CD2-CE2 3.63Å; F563-W570 HydrophobicContact CD2-CG 4.04Å; F563-W570 HydrophobicContact CD2-CZ2 4.21Å; F563-W570 AromaticContact CD2-NE1 3.51Å; F563-W570 HydrophobicContact CG-CZ2 4.39Å; W570-I574 HydrophobicContact CB-CB 4.49Å; W570-I574 HydrophobicContact CB-CG2 3.91Å; W570-I574 HydrophobicContact CD2-CB 4.45Å; W570-I574 HydrophobicContact CD2-CG2 3.54Å; W570-I574 HydrophobicContact CE3-CB 3.96Å; W570-I574 HydrophobicContact CE3-CG1 4.35Å; W570-I574 HydrophobicContact CE3-CG2 3.46Å; W570-I574 VanDerWaalsContact CE3-CG2 3.46Å; W570-I574 HydrophobicContact CG-CG2 3.75Å; W570-I574 HydrophobicContact CZ3-CG2 4.11Å; W570-G575 WeakPolarHBondContact O-CA 3.42Å; W570-Y579 PolarHBondContact N-OH 3.08Å; W570-Y579 WeakPolarHBondContact O-CE2 3.41Å; W570-D594 HydrophobicContact CH2-CB 4.41Å; W570-D594 WeakPolarHBondContact CH2-O 3.06Å; W570-D594 WeakPolarHBondContact CZ2-O 3.18Å; W570-V598 HydrophobicContact CD2-CG2 4.37Å; W570-V598 HydrophobicContact CH2-CG2 4.41Å; W570-V598 HydrophobicContact CZ2-CG1 4.01Å; W570-V598 HydrophobicContact CZ2-CG2 3.81Å
571	D	87.3	Confident	84.5	Confident	23 Å²	23	57.6 Å²	57.6	12%	0.123	29%	0.291	C	S	.	.			trans	-100.2	179.9	171.8	74.7	-0.6	0	0	0	111.3	D557 K559 G561 T562 G575	D557-D571 WeakPolarHBondContact OD2-CB 3.31Å; K559-D571 WeakPolarHBondContact CD-OD2 3.44Å; K559-D571 IonicContact NZ-OD2 3.88Å; K559-D571 PolarHBondContact NZ-OD2 3.01Å; G561-D571 WeakPolarHBondContact CA-O 3.38Å; G561-D571 WeakPolarHBondContact CA-OD1 3.44Å; T562-D571 PolarHBondContact N-OD1 3.45Å; T562-D571 PolarHBondContact O-N 3.05Å; T562-D571 PolarHBondContact OG1-OD1 3.48Å; D571-G575 PolarHBondContact O-N 3.26Å
572	G	91.6	Very high	84.6	Confident	2 Å²	2	57.5 Å²	57.5	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	64.7	-156.7	174.6	0	0	0	0	0	116.3	D557 K559 I574 G575 D576	D557-G572 VanDerWaalsContact OD1-CA 3.29Å; D557-G572 WeakPolarHBondContact OD1-CA 3.44Å; D557-G572 WeakPolarHBondContact OD2-CA 3.34Å; D557-G572 PolarHBondContact OD2-N 3.41Å; K559-G572 CarbonylContact O-C 3.56Å; K559-G572 WeakPolarHBondContact O-CA 3.37Å; G572-I574 PolarHBondContact O-N 3.13Å; G572-G575 WeakPolarHBondContact O-CA 3.32Å; G572-G575 PolarHBondContact O-N 3.42Å; G572-D576 PolarHBondContact O-N 3.49Å
573	L	93.8	Very high	84.9	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-56.3	-37	176.8	-58.2	172	0	0	0	111.8	T506 I508 V555 K559 F560 D576 L577 A585 A587 F589	T506-L573 HydrophobicContact CG2-CB 4.5Å; T506-L573 HydrophobicContact CG2-CD2 3.77Å; T506-L573 WeakPolarHBondContact OG1-CD2 3.18Å; I508-L573 HydrophobicContact CG2-CD1 3.92Å; V555-L573 HydrophobicContact CB-CD2 3.79Å; V555-L573 HydrophobicContact CG1-CD2 4.13Å; V555-L573 HydrophobicContact CG2-CD2 4.25Å; K559-L573 PolarHBondContact O-N 2.92Å; K559-L573 VanDerWaalsContact O-N 3.13Å; F560-L573 HydrophobicContact CD1-CD1 3.84Å; F560-L573 HydrophobicContact CE1-CD1 4.39Å; F560-L573 WeakPolarHBondContact O-CB 3.36Å; F560-L573 PolarHBondContact O-N 2.77Å; L573-D576 PolarHBondContact O-N 2.92Å; L573-L577 WeakPolarHBondContact O-CG 3.36Å; L573-L577 PolarHBondContact O-N 3.32Å; L573-L577 VanDerWaalsContact O-N 3.15Å; L573-A585 HydrophobicContact CB-CB 4.24Å; L573-A587 HydrophobicContact CD1-CB 4.16Å; L573-F589 HydrophobicContact CB-CE1 4.4Å; L573-F589 HydrophobicContact CB-CE2 4.42Å; L573-F589 HydrophobicContact CB-CZ 4.02Å; L573-F589 HydrophobicContact CD1-CD2 4.37Å; L573-F589 HydrophobicContact CD1-CE2 4.45Å; L573-F589 HydrophobicContact CD1-CG 4.46Å
574	I	91.1	Very high	85.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.4	-48	174.4	-59	-73.1	0	0	0	110.4	F560 W570 G572 D576 L577 V578 F589 R595 V598 I599	F560-I574 PolarHBondContact O-N 3.22Å; W570-I574 HydrophobicContact CB-CB 4.49Å; W570-I574 HydrophobicContact CB-CG2 3.91Å; W570-I574 HydrophobicContact CD2-CB 4.45Å; W570-I574 HydrophobicContact CD2-CG2 3.54Å; W570-I574 HydrophobicContact CE3-CB 3.96Å; W570-I574 HydrophobicContact CE3-CG1 4.35Å; W570-I574 HydrophobicContact CE3-CG2 3.46Å; W570-I574 VanDerWaalsContact CE3-CG2 3.46Å; W570-I574 HydrophobicContact CG-CG2 3.75Å; W570-I574 HydrophobicContact CZ3-CG2 4.11Å; G572-I574 PolarHBondContact O-N 3.13Å; I574-D576 VanDerWaalsContact C-N 3.33Å; I574-D576 PolarHBondContact O-N 3.15Å; I574-L577 PolarHBondContact O-N 3.27Å; I574-V578 HydrophobicContact CG2-CG2 3.87Å; I574-V578 WeakPolarHBondContact O-CB 3.37Å; I574-V578 VanDerWaalsContact O-CG2 3.26Å; I574-V578 WeakPolarHBondContact O-CG2 3.26Å; I574-V578 PolarHBondContact O-N 3.49Å; I574-F589 HydrophobicContact CD1-CE1 4.27Å; I574-F589 HydrophobicContact CD1-CE2 3.96Å; I574-F589 HydrophobicContact CD1-CZ 3.33Å; I574-F589 HydrophobicContact CG1-CE2 4.2Å; I574-F589 HydrophobicContact CG1-CZ 3.81Å; I574-R595 HydrophobicContact CD1-CB 3.62Å; I574-R595 HydrophobicContact CD1-CG 3.52Å; I574-R595 HydrophobicContact CG1-CG 4.06Å; I574-V598 HydrophobicContact CG2-CG2 3.76Å; I574-I599 HydrophobicContact CD1-CD1 3.44Å; I574-I599 VanDerWaalsContact CD1-CD1 3.44Å; I574-I599 HydrophobicContact CD1-CG1 3.79Å; I574-I599 HydrophobicContact CG2-CG2 4.44Å
575	G	88.4	Confident	86.4	Confident	3 Å²	3	51 Å²	51	3%	0.031	26%	0.258	C	S	.	.	H	α-helix	trans	-57.7	-44.3	176.9	0	0	0	0	0	112.5	W570 D571 G572 L577 V578 Y579	W570-G575 WeakPolarHBondContact O-CA 3.42Å; D571-G575 PolarHBondContact O-N 3.26Å; G572-G575 WeakPolarHBondContact O-CA 3.32Å; G572-G575 PolarHBondContact O-N 3.42Å; G575-L577 VanDerWaalsContact C-N 3.29Å; G575-L577 PolarHBondContact O-N 3.47Å; G575-V578 PolarHBondContact O-N 3.22Å; G575-Y579 WeakPolarHBondContact O-CB 3.48Å; G575-Y579 WeakPolarHBondContact O-CD2 3.49Å; G575-Y579 PolarHBondContact O-N 3.25Å
576	D	92.7	Very high	87.3	Confident	17 Å²	17	43.2 Å²	43.2	9%	0.091	22%	0.221	C	C	.	.	H	α-helix	trans	-61.2	-35.6	178.2	-81.1	-5.6	0	0	0	113	T506 G572 L573 I574 K580 K581 A582	T506-D576 HydrophobicContact CG2-CB 3.96Å; T506-D576 PolarHBondContact OG1-OD2 3.29Å; G572-D576 PolarHBondContact O-N 3.49Å; L573-D576 PolarHBondContact O-N 2.92Å; I574-D576 VanDerWaalsContact C-N 3.33Å; I574-D576 PolarHBondContact O-N 3.15Å; D576-K580 CarbonylContact O-C 3.59Å; D576-K580 PolarHBondContact O-N 3.46Å; D576-K581 HydrophobicContact CB-CB 4.31Å; D576-K581 PolarHBondContact O-N 3.34Å; D576-K581 WeakPolarHBondContact OD1-CD 3.29Å; D576-A582 HydrophobicContact CB-CB 4.35Å; D576-A582 PolarHBondContact O-N 3Å
577	L	89.7	Confident	88.3	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-78.2	-45	176.6	-67.1	176.7	0	0	0	112.7	L573 I574 G575 Y579 K580 A582 A585 F589 I599 P835	L573-L577 WeakPolarHBondContact O-CG 3.36Å; L573-L577 PolarHBondContact O-N 3.32Å; L573-L577 VanDerWaalsContact O-N 3.15Å; I574-L577 PolarHBondContact O-N 3.27Å; G575-L577 VanDerWaalsContact C-N 3.29Å; G575-L577 PolarHBondContact O-N 3.47Å; L577-Y579 VanDerWaalsContact C-N 3.29Å; L577-Y579 PolarHBondContact O-N 3.08Å; L577-K580 PolarHBondContact O-N 3.02Å; L577-K580 VanDerWaalsContact O-N 3.1Å; L577-A582 HydrophobicContact CD2-CB 4.44Å; L577-A585 HydrophobicContact CD1-CB 3.53Å; L577-A585 HydrophobicContact CD2-CB 4.18Å; L577-A585 HydrophobicContact CG-CB 4Å; L577-F589 HydrophobicContact CD1-CE1 4.29Å; L577-I599 HydrophobicContact CB-CG2 3.68Å; L577-I599 HydrophobicContact CD1-CB 4.37Å; L577-I599 HydrophobicContact CD1-CD1 3.67Å; L577-I599 HydrophobicContact CD1-CG2 4.14Å; L577-P835 HydrophobicContact CD2-CG 4.24Å
578	V	82.9	Confident	89.2	Confident	43 Å²	43	30.8 Å²	30.8	26%	0.261	15%	0.154	S	C	.	.	H	α-helix	trans	-60.9	-41.4	179	170.2	0	0	0	0	110.6	I574 G575 K580 V598 I599	I574-V578 HydrophobicContact CG2-CG2 3.87Å; I574-V578 WeakPolarHBondContact O-CB 3.37Å; I574-V578 VanDerWaalsContact O-CG2 3.26Å; I574-V578 WeakPolarHBondContact O-CG2 3.26Å; I574-V578 PolarHBondContact O-N 3.49Å; G575-V578 PolarHBondContact O-N 3.22Å; V578-K580 VanDerWaalsContact C-N 3.31Å; V578-V598 HydrophobicContact CG2-CB 4.14Å; V578-V598 HydrophobicContact CG2-CG2 4.13Å; V578-I599 HydrophobicContact CG2-CG2 3.83Å
579	Y	84.2	Confident	89.9	Confident	87 Å²	87	28.5 Å²	28.5	34%	0.341	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	13.4	178.2	-53.4	-52.1	0	0	0	113.4	K569 W570 G575 L577 K581	K569-Y579 WeakPolarHBondContact CA-OH 3.31Å; K569-Y579 WeakPolarHBondContact CB-OH 3.34Å; K569-Y579 VanDerWaalsContact CG-OH 3.31Å; K569-Y579 WeakPolarHBondContact CG-OH 3.36Å; W570-Y579 PolarHBondContact N-OH 3.08Å; W570-Y579 WeakPolarHBondContact O-CE2 3.41Å; G575-Y579 WeakPolarHBondContact O-CB 3.48Å; G575-Y579 WeakPolarHBondContact O-CD2 3.49Å; G575-Y579 PolarHBondContact O-N 3.25Å; L577-Y579 VanDerWaalsContact C-N 3.29Å; L577-Y579 PolarHBondContact O-N 3.08Å; Y579-K581 PolarHBondContact O-N 3.32Å
580	K	82.4	Confident	90.6	Very high	98 Å²	98	22.8 Å²	22.8	43%	0.426	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	32.9	175.4	-57.1	177.8	-175.7	163.4	0	114.7	E319 D576 L577 V578 A582	E319-K580 PolarHBondContact O-NZ 3.36Å; E319-K580 IonicContact OE2-NZ 2.77Å; D576-K580 CarbonylContact O-C 3.59Å; D576-K580 PolarHBondContact O-N 3.46Å; L577-K580 PolarHBondContact O-N 3.02Å; L577-K580 VanDerWaalsContact O-N 3.1Å; V578-K580 VanDerWaalsContact C-N 3.31Å; K580-A582 VanDerWaalsContact C-N 3.27Å
581	K	83.2	Confident	90.9	Very high	121 Å²	121	23 Å²	23	53%	0.526	11%	0.11	S	C	.	.	S	Bend	trans	-75.4	-23.3	170.5	-62.9	179.4	-178.2	174.5	0	111.4	D576 Y579	D576-K581 HydrophobicContact CB-CB 4.31Å; D576-K581 PolarHBondContact O-N 3.34Å; D576-K581 WeakPolarHBondContact OD1-CD 3.29Å; Y579-K581 PolarHBondContact O-N 3.32Å
582	A	90.6	Very high	91.1	Very high	2 Å²	2	23.4 Å²	23.4	2%	0.017	11%	0.113	C	C	.	.			trans	-133.8	153.4	175	0	0	0	0	0	111.2	I504 T506 D576 L577 K580	I504-A582 HydrophobicContact CG2-CB 4.18Å; T506-A582 HydrophobicContact CG2-CB 3.62Å; D576-A582 HydrophobicContact CB-CB 4.35Å; D576-A582 PolarHBondContact O-N 3Å; L577-A582 HydrophobicContact CD2-CB 4.44Å; K580-A582 VanDerWaalsContact C-N 3.27Å
583	D	90.4	Very high	90.9	Very high	45 Å²	45	31.8 Å²	31.8	24%	0.241	15%	0.145	C	C	.	.	S	Bend	trans	-90.1	-29.9	176.4	-62.4	-67	0	0	0	112.2	F503 I504 P835	F503-D583 HydrophobicContact CB-CB 4.15Å; F503-D583 HydrophobicContact CD1-CB 3.78Å; F503-D583 HydrophobicContact CG-CB 4.42Å; I504-D583 PolarHBondContact N-OD2 2.91Å; I504-D583 PolarHBondContact O-N 3.21Å; D583-P835 WeakPolarHBondContact O-CD 2.93Å
584	L	95.4	Very high	90.5	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	143.5	-178.8	-61.3	174.7	0	0	0	110.1	F503 I504 V505 T506 V586 I832 G833 L834 L841 L845	F503-L584 HydrophobicContact CB-CD1 4.25Å; F503-L584 HydrophobicContact CG-CD1 4.45Å; I504-L584 PolarHBondContact O-N 2.93Å; V505-L584 CarbonylContact C-O 3.24Å; V505-L584 WeakPolarHBondContact CA-O 3.5Å; V505-L584 HydrophobicContact CG1-CB 4.49Å; V505-L584 HydrophobicContact CG2-CB 4.16Å; V505-L584 HydrophobicContact CG2-CD1 4.22Å; T506-L584 PolarHBondContact N-O 2.76Å; L584-V586 HydrophobicContact CB-CG2 4.39Å; L584-I832 HydrophobicContact CB-CG2 4.41Å; L584-I832 HydrophobicContact CD2-CG2 4.18Å; L584-G833 CarbonylContact C-O 3.55Å; L584-G833 WeakPolarHBondContact CA-O 3.34Å; L584-L834 HydrophobicContact CD2-CD2 3.62Å; L584-L834 HydrophobicContact CD2-CG 3.7Å; L584-L841 HydrophobicContact CD2-CD2 3.89Å; L584-L845 HydrophobicContact CD1-CD1 4.31Å; L584-L845 HydrophobicContact CD2-CD1 3.72Å
585	A	96.8	Very high	90.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	116.9	166.8	0	0	0	0	0	109.7	T506 L573 L577 F589 I832 G833	T506-A585 HydrophobicContact CG2-CB 3.69Å; T506-A585 WeakPolarHBondContact O-CA 3.41Å; L573-A585 HydrophobicContact CB-CB 4.24Å; L577-A585 HydrophobicContact CD1-CB 3.53Å; L577-A585 HydrophobicContact CD2-CB 4.18Å; L577-A585 HydrophobicContact CG-CB 4Å; A585-F589 HydrophobicContact CB-CD1 4.04Å; A585-F589 HydrophobicContact CB-CE1 3.86Å; A585-I832 WeakPolarHBondContact O-CA 3.43Å; A585-G833 PolarHBondContact N-O 3.23Å; A585-G833 PolarHBondContact O-N 2.92Å
586	V	97	Very high	90.4	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.184	C	C	.	.			trans	-124.9	107.5	-175.4	-177.5	0	0	0	0	109.5	V505 T506 T507 A535 M536 L539 L584 I832	V505-V586 HydrophobicContact CG1-CB 3.83Å; V505-V586 HydrophobicContact CG1-CG2 3.68Å; T506-V586 PolarHBondContact O-N 3.16Å; T507-V586 WeakPolarHBondContact CB-O 2.97Å; T507-V586 PolarHBondContact OG1-O 3.33Å; A535-V586 HydrophobicContact CB-CG1 3.92Å; A535-V586 WeakPolarHBondContact O-CG1 3.5Å; M536-V586 HydrophobicContact CE-CB 4.25Å; M536-V586 HydrophobicContact CE-CG1 3.9Å; L539-V586 HydrophobicContact CB-CG1 4.33Å; L539-V586 HydrophobicContact CD1-CG2 4.27Å; L584-V586 HydrophobicContact CB-CG2 4.39Å; V586-I832 HydrophobicContact CG2-CD1 4.35Å; V586-I832 HydrophobicContact CG2-CG1 4.23Å; V586-I832 HydrophobicContact CG2-CG2 3.84Å
587	A	95.6	Very high	90.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-163	-169.2	178.2	0	0	0	0	0	109.4	I508 V514 F560 L573 F589 F605	I508-A587 HydrophobicContact CG2-CB 3.84Å; V514-A587 HydrophobicContact CG2-CB 4.23Å; F560-A587 HydrophobicContact CE1-CB 4.26Å; L573-A587 HydrophobicContact CD1-CB 4.16Å; A587-F589 PolarHBondContact O-N 3.45Å; A587-F605 WeakPolarHBondContact O-CZ 3.3Å
588	S	94.2	Very high	89.7	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.014	21%	0.212	C	C	.	.	S	Bend	trans	-65.8	54.1	161.2	44.1	0	0	0	0	111.9	D510 F560 T590 Y830	D510-S588 WeakPolarHBondContact OD2-CB 3.34Å; D510-S588 PolarHBondContact OD2-OG 2.92Å; F560-S588 WeakPolarHBondContact CE1-O 3.43Å; F560-S588 WeakPolarHBondContact CZ-OG 3.48Å; S588-T590 PolarHBondContact O-N 3.46Å; S588-Y830 VanDerWaalsContact C-CE1 3.47Å; S588-Y830 WeakPolarHBondContact O-CD1 3.34Å; S588-Y830 VanDerWaalsContact O-CE1 3.22Å; S588-Y830 WeakPolarHBondContact O-CE1 3.28Å
589	F	93.6	Very high	89.9	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	20%	0.2	C	C	.	.			trans	-90	97.1	-166.5	-164.8	-161.2	0	0	0	111.3	F560 L573 I574 L577 A585 A587 I591 I599 F601 Y830 G831	F560-F589 HydrophobicContact CD1-CD2 4.05Å; L573-F589 HydrophobicContact CB-CE1 4.4Å; L573-F589 HydrophobicContact CB-CE2 4.42Å; L573-F589 HydrophobicContact CB-CZ 4.02Å; L573-F589 HydrophobicContact CD1-CD2 4.37Å; L573-F589 HydrophobicContact CD1-CE2 4.45Å; L573-F589 HydrophobicContact CD1-CG 4.46Å; I574-F589 HydrophobicContact CD1-CE1 4.27Å; I574-F589 HydrophobicContact CD1-CE2 3.96Å; I574-F589 HydrophobicContact CD1-CZ 3.33Å; I574-F589 HydrophobicContact CG1-CE2 4.2Å; I574-F589 HydrophobicContact CG1-CZ 3.81Å; L577-F589 HydrophobicContact CD1-CE1 4.29Å; A585-F589 HydrophobicContact CB-CD1 4.04Å; A585-F589 HydrophobicContact CB-CE1 3.86Å; A587-F589 PolarHBondContact O-N 3.45Å; F589-I591 PolarHBondContact O-N 3.4Å; F589-I599 HydrophobicContact CE1-CD1 3.71Å; F589-I599 HydrophobicContact CZ-CD1 3.98Å; F589-F601 AromaticContact CD1-CE1 3.53Å; F589-F601 HydrophobicContact CD1-CE1 3.53Å; F589-F601 HydrophobicContact CD1-CZ 4.08Å; F589-F601 AromaticContact CE1-CE1 3.76Å; F589-F601 HydrophobicContact CE1-CE1 3.76Å; F589-F601 AromaticContact CE1-CZ 3.9Å; F589-F601 HydrophobicContact CE1-CZ 3.9Å; F589-F601 HydrophobicContact CG-CE1 4.03Å; F589-F601 HydrophobicContact CZ-CE1 4.44Å; F589-F601 HydrophobicContact CZ-CZ 4.18Å; F589-Y830 WeakPolarHBondContact O-CA 3.26Å; F589-G831 PolarHBondContact O-N 3.15Å; F589-G831 VanDerWaalsContact O-N 3.09Å
590	T	94.6	Very high	90.1	Very high	5 Å²	5	42 Å²	42	3%	0.031	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-63	126	-178.2	-28.7	0	0	0	0	111.3	S588 T592 R595 S756 E804 R828	S588-T590 PolarHBondContact O-N 3.46Å; T590-T592 PolarHBondContact O-N 3.04Å; T590-R595 PolarHBondContact O-NH1 3.1Å; T590-S756 PolarHBondContact OG1-OG 2.83Å; T590-E804 VanDerWaalsContact CG2-OE1 3.29Å; T590-E804 WeakPolarHBondContact CG2-OE1 3.24Å; T590-E804 PolarHBondContact OG1-OE1 2.87Å; T590-R828 HydrophobicContact CG2-CB 4.16Å
591	I	93.9	Very high	90.7	Very high	33 Å²	33	38 Å²	38	17%	0.169	17%	0.173	C	C	.	.			trans	-70.4	124.8	171.5	-56	171	0	0	0	108.3	F589 F601 P604 G829	F589-I591 PolarHBondContact O-N 3.4Å; I591-F601 HydrophobicContact CD1-CB 4.34Å; I591-F601 HydrophobicContact CG1-CB 4.24Å; I591-F601 HydrophobicContact CG1-CD1 3.8Å; I591-F601 HydrophobicContact CG1-CD2 4.47Å; I591-F601 HydrophobicContact CG1-CE1 4.2Å; I591-F601 HydrophobicContact CG1-CG 3.93Å; I591-F601 HydrophobicContact CG2-CD2 4.14Å; I591-F601 HydrophobicContact CG2-CG 4.31Å; I591-P604 HydrophobicContact CD1-CB 3.99Å; I591-G829 WeakPolarHBondContact CG1-O 3.23Å; I591-G829 PolarHBondContact N-O 3.45Å
592	T	90.3	Very high	91.2	Very high	31 Å²	31	32.5 Å²	32.5	19%	0.19	15%	0.149	C	C	.	.			trans	-139.7	152.7	173.3	69	0	0	0	0	109.8	T590 D594 R595 E596	T590-T592 PolarHBondContact O-N 3.04Å; T592-D594 VanDerWaalsContact C-N 3.32Å; T592-D594 PolarHBondContact O-N 3.4Å; T592-R595 PolarHBondContact O-N 2.83Å; T592-R595 WeakPolarHBondContact OG1-CD 3.24Å; T592-R595 VanDerWaalsContact OG1-CG 3.28Å; T592-R595 WeakPolarHBondContact OG1-CG 3.3Å; T592-E596 WeakPolarHBondContact O-CB 3.41Å; T592-E596 PolarHBondContact O-N 2.93Å
593	Y	87.5	Confident	91.4	Very high	179 Å²	179	34.7 Å²	34.7	70%	0.702	16%	0.163	S	C	*	.	H	α-helix	trans	-52.5	-46.3	179.4	173.5	-98.5	0	0	0	113.2	R595 E596 R597	Y593-R595 PolarHBondContact O-N 3.28Å; Y593-E596 PolarHBondContact O-N 2.92Å; Y593-R597 PolarHBondContact O-N 2.79Å
594	D	85.7	Confident	91.7	Very high	59 Å²	59	35.2 Å²	35.2	32%	0.316	17%	0.168	S	C	.	.	H	α-helix	trans	-65.5	-25.7	-179.1	-73.3	-45.1	0	0	0	113.8	W570 T592 R597	W570-D594 HydrophobicContact CH2-CB 4.41Å; W570-D594 WeakPolarHBondContact CH2-O 3.06Å; W570-D594 WeakPolarHBondContact CZ2-O 3.18Å; T592-D594 VanDerWaalsContact C-N 3.32Å; T592-D594 PolarHBondContact O-N 3.4Å; D594-R597 WeakPolarHBondContact O-CG 3.38Å; D594-R597 IonicContact OD1-CZ 2.93Å; D594-R597 IonicContact OD1-NH1 2.9Å; D594-R597 PolarHBondContact OD1-NH1 3.29Å
595	R	89.8	Confident	91.7	Very high	14 Å²	14	35.6 Å²	35.6	5%	0.053	17%	0.17	C	C	.	.	H	α-helix	trans	-82.9	-46.8	175.1	-67.9	177	172.3	172.1	-2.1	110.4	G561 I574 T590 T592 Y593 R597 V598 I599 F601	G561-R595 PolarHBondContact O-NH2 3.35Å; I574-R595 HydrophobicContact CD1-CB 3.62Å; I574-R595 HydrophobicContact CD1-CG 3.52Å; I574-R595 HydrophobicContact CG1-CG 4.06Å; T590-R595 PolarHBondContact O-NH1 3.1Å; T592-R595 PolarHBondContact O-N 2.83Å; T592-R595 WeakPolarHBondContact OG1-CD 3.24Å; T592-R595 VanDerWaalsContact OG1-CG 3.28Å; T592-R595 WeakPolarHBondContact OG1-CG 3.3Å; Y593-R595 PolarHBondContact O-N 3.28Å; R595-R597 PolarHBondContact O-N 3.41Å; R595-V598 WeakPolarHBondContact O-CG2 3.31Å; R595-V598 PolarHBondContact O-N 2.96Å; R595-I599 WeakPolarHBondContact O-CG1 3.34Å; R595-I599 PolarHBondContact O-N 2.84Å; R595-F601 HydrophobicContact CB-CE2 3.75Å; R595-F601 HydrophobicContact CB-CZ 4Å
596	E	88.1	Confident	91.6	Very high	103 Å²	103	36.2 Å²	36.2	48%	0.481	17%	0.173	S	C	.	.	H	α-helix	trans	-63.9	-26.2	-178.5	-170.6	172.2	-154.3	0	0	113.2	T592 Y593 V598 I599 F601	T592-E596 WeakPolarHBondContact O-CB 3.41Å; T592-E596 PolarHBondContact O-N 2.93Å; Y593-E596 PolarHBondContact O-N 2.92Å; E596-V598 PolarHBondContact O-N 2.74Å; E596-I599 CarbonylContact C-O 3.58Å; E596-I599 VanDerWaalsContact CA-O 3.29Å; E596-I599 WeakPolarHBondContact CA-O 3.19Å; E596-F601 HydrophobicContact CB-CD2 4.08Å; E596-F601 HydrophobicContact CB-CE2 4.36Å; E596-F601 HydrophobicContact CG-CD2 4.34Å
597	R	85.2	Confident	91.3	Very high	132 Å²	132	41 Å²	41	50%	0.498	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-15.9	174.8	84.2	-174.4	-157.2	-157.5	8.4	114	Y593 D594 R595	Y593-R597 PolarHBondContact O-N 2.79Å; D594-R597 WeakPolarHBondContact O-CG 3.38Å; D594-R597 IonicContact OD1-CZ 2.93Å; D594-R597 IonicContact OD1-NH1 2.9Å; D594-R597 PolarHBondContact OD1-NH1 3.29Å; R595-R597 PolarHBondContact O-N 3.41Å
598	V	82.4	Confident	91.1	Very high	30 Å²	30	41.3 Å²	41.3	18%	0.182	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-15	-176.7	-60.9	0	0	0	0	114.2	W570 I574 V578 R595 E596 I836	W570-V598 HydrophobicContact CD2-CG2 4.37Å; W570-V598 HydrophobicContact CH2-CG2 4.41Å; W570-V598 HydrophobicContact CZ2-CG1 4.01Å; W570-V598 HydrophobicContact CZ2-CG2 3.81Å; I574-V598 HydrophobicContact CG2-CG2 3.76Å; V578-V598 HydrophobicContact CG2-CB 4.14Å; V578-V598 HydrophobicContact CG2-CG2 4.13Å; R595-V598 WeakPolarHBondContact O-CG2 3.31Å; R595-V598 PolarHBondContact O-N 2.96Å; E596-V598 PolarHBondContact O-N 2.74Å; V598-I836 WeakPolarHBondContact O-CD1 3.42Å; V598-I836 WeakPolarHBondContact O-CG1 3.36Å
599	I	86.8	Confident	90.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	-140.9	155.6	174.8	59.4	152.5	0	0	0	109.5	I574 L577 V578 F589 R595 E596 F601 L834	I574-I599 HydrophobicContact CD1-CD1 3.44Å; I574-I599 VanDerWaalsContact CD1-CD1 3.44Å; I574-I599 HydrophobicContact CD1-CG1 3.79Å; I574-I599 HydrophobicContact CG2-CG2 4.44Å; L577-I599 HydrophobicContact CB-CG2 3.68Å; L577-I599 HydrophobicContact CD1-CB 4.37Å; L577-I599 HydrophobicContact CD1-CD1 3.67Å; L577-I599 HydrophobicContact CD1-CG2 4.14Å; V578-I599 HydrophobicContact CG2-CG2 3.83Å; F589-I599 HydrophobicContact CE1-CD1 3.71Å; F589-I599 HydrophobicContact CZ-CD1 3.98Å; R595-I599 WeakPolarHBondContact O-CG1 3.34Å; R595-I599 PolarHBondContact O-N 2.84Å; E596-I599 CarbonylContact C-O 3.58Å; E596-I599 VanDerWaalsContact CA-O 3.29Å; E596-I599 WeakPolarHBondContact CA-O 3.19Å; I599-F601 HydrophobicContact CD1-CD2 4.33Å; I599-F601 HydrophobicContact CD1-CE1 4.12Å; I599-F601 HydrophobicContact CD1-CE2 3.63Å; I599-F601 HydrophobicContact CD1-CZ 3.52Å; I599-F601 HydrophobicContact CG1-CD2 4.44Å; I599-F601 HydrophobicContact CG1-CE2 3.87Å; I599-F601 HydrophobicContact CG1-CZ 4.26Å; I599-L834 WeakPolarHBondContact CB-O 3.49Å
600	D	88.3	Confident	90.8	Very high	28 Å²	28	41.4 Å²	41.4	15%	0.15	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	146.4	173.2	-78.8	-45.8	0	0	0	110.7	G833 L834 I836 G837 R842	D600-G833 CarbonylContact O-C 3.09Å; D600-G833 WeakPolarHBondContact O-CA 3.04Å; D600-L834 HydrophobicContact CB-CB 4.33Å; D600-L834 PolarHBondContact N-O 3.05Å; D600-L834 PolarHBondContact O-N 3.05Å; D600-I836 WeakPolarHBondContact OD2-CA 3.44Å; D600-G837 PolarHBondContact OD2-N 2.84Å; D600-R842 IonicContact OD1-NH1 3.58Å
601	F	94.3	Very high	90.4	Very high	13 Å²	13	41.7 Å²	41.7	6%	0.057	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	148.3	171.1	-76.9	-83.8	0	0	0	111.5	F589 I591 R595 E596 I599 I832 R842	F589-F601 AromaticContact CD1-CE1 3.53Å; F589-F601 HydrophobicContact CD1-CE1 3.53Å; F589-F601 HydrophobicContact CD1-CZ 4.08Å; F589-F601 AromaticContact CE1-CE1 3.76Å; F589-F601 HydrophobicContact CE1-CE1 3.76Å; F589-F601 AromaticContact CE1-CZ 3.9Å; F589-F601 HydrophobicContact CE1-CZ 3.9Å; F589-F601 HydrophobicContact CG-CE1 4.03Å; F589-F601 HydrophobicContact CZ-CE1 4.44Å; F589-F601 HydrophobicContact CZ-CZ 4.18Å; I591-F601 HydrophobicContact CD1-CB 4.34Å; I591-F601 HydrophobicContact CG1-CB 4.24Å; I591-F601 HydrophobicContact CG1-CD1 3.8Å; I591-F601 HydrophobicContact CG1-CD2 4.47Å; I591-F601 HydrophobicContact CG1-CE1 4.2Å; I591-F601 HydrophobicContact CG1-CG 3.93Å; I591-F601 HydrophobicContact CG2-CD2 4.14Å; I591-F601 HydrophobicContact CG2-CG 4.31Å; R595-F601 HydrophobicContact CB-CE2 3.75Å; R595-F601 HydrophobicContact CB-CZ 4Å; E596-F601 HydrophobicContact CB-CD2 4.08Å; E596-F601 HydrophobicContact CB-CE2 4.36Å; E596-F601 HydrophobicContact CG-CD2 4.34Å; I599-F601 HydrophobicContact CD1-CD2 4.33Å; I599-F601 HydrophobicContact CD1-CE1 4.12Å; I599-F601 HydrophobicContact CD1-CE2 3.63Å; I599-F601 HydrophobicContact CD1-CZ 3.52Å; I599-F601 HydrophobicContact CG1-CD2 4.44Å; I599-F601 HydrophobicContact CG1-CE2 3.87Å; I599-F601 HydrophobicContact CG1-CZ 4.26Å; F601-I832 WeakPolarHBondContact CA-O 3.26Å; F601-R842 VanDerWaalsContact O-CD 3.26Å; F601-R842 WeakPolarHBondContact O-CD 3.04Å; F601-R842 WeakPolarHBondContact O-CG 3.45Å
602	T	95.2	Very high	90.2	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.031	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-72.2	166.6	163.9	51	0	0	0	0	111.5	I832 L834 R842 L845 S846 I849	T602-I832 HydrophobicContact CG2-CB 4.03Å; T602-I832 PolarHBondContact N-O 2.81Å; T602-I832 WeakPolarHBondContact OG1-CB 3.36Å; T602-I832 PolarHBondContact OG1-N 2.66Å; T602-I832 PolarHBondContact OG1-O 2.83Å; T602-L834 HydrophobicContact CG2-CD1 3.78Å; T602-R842 HydrophobicContact CG2-CG 4.45Å; T602-L845 HydrophobicContact CG2-CB 3.75Å; T602-L845 HydrophobicContact CG2-CD1 4.41Å; T602-S846 WeakPolarHBondContact CA-OG 3.17Å; T602-S846 WeakPolarHBondContact CB-OG 3.3Å; T602-I849 HydrophobicContact CG2-CD1 4.34Å
603	T	94.4	Very high	90.2	Very high	48 Å²	48	38.7 Å²	38.7	29%	0.294	19%	0.194	S	C	.	.	S	Bend	trans	-53.3	137	165.5	51.3	0	0	0	0	110.3	F605 S846	T603-F605 PolarHBondContact O-N 3.38Å; T603-S846 PolarHBondContact N-OG 3.37Å; T603-S846 VanDerWaalsContact N-OG 3.12Å; T603-S846 WeakPolarHBondContact OG1-CA 3.47Å; T603-S846 WeakPolarHBondContact OG1-CB 3.21Å; T603-S846 PolarHBondContact OG1-O 3.44Å
604	P	96.5	Very high	90.2	Very high	56 Å²	56	31.2 Å²	31.2	36%	0.364	17%	0.166	S	C	.	.	P	Polyproline II helix	trans	-61.1	129.1	-173.3	23.3	-32.9	0	0	0	111.3	I591 M606 Y830	I591-P604 HydrophobicContact CD1-CB 3.99Å; P604-M606 VanDerWaalsContact C-N 3.32Å; P604-Y830 CarbonylContact C-O 3.55Å; P604-Y830 WeakPolarHBondContact CA-O 3.41Å; P604-Y830 WeakPolarHBondContact CB-O 3.3Å
605	F	95.9	Very high	90.1	Very high	9 Å²	9	32 Å²	32	4%	0.039	17%	0.168	C	C	.	.	S	Bend	trans	-83.9	-12.4	177.2	63.1	-104.4	0	0	0	112.5	F534 L538 A587 T603 Y830 I832 I849 L858	F534-F605 HydrophobicContact CD1-CD2 4.43Å; F534-F605 HydrophobicContact CD1-CE2 4.07Å; F534-F605 AromaticContact CE1-CD2 3.59Å; F534-F605 HydrophobicContact CE1-CD2 3.59Å; F534-F605 AromaticContact CE1-CE2 3.66Å; F534-F605 HydrophobicContact CE1-CE2 3.66Å; F534-F605 HydrophobicContact CZ-CD2 4.4Å; L538-F605 HydrophobicContact CD2-CB 3.7Å; L538-F605 HydrophobicContact CD2-CD1 3.59Å; L538-F605 HydrophobicContact CD2-CD2 3.73Å; L538-F605 HydrophobicContact CD2-CE1 4.08Å; L538-F605 HydrophobicContact CD2-CE2 4.21Å; L538-F605 HydrophobicContact CD2-CG 3.38Å; L538-F605 HydrophobicContact CD2-CZ 4.36Å; A587-F605 WeakPolarHBondContact O-CZ 3.3Å; T603-F605 PolarHBondContact O-N 3.38Å; F605-Y830 WeakPolarHBondContact CD1-O 3.39Å; F605-Y830 HydrophobicContact CE2-CD2 4.25Å; F605-Y830 HydrophobicContact CE2-CG 4.45Å; F605-Y830 HydrophobicContact CZ-CD2 4.45Å; F605-Y830 HydrophobicContact CZ-CG 4.28Å; F605-Y830 PolarHBondContact N-O 2.87Å; F605-I832 HydrophobicContact CD1-CG1 4.27Å; F605-I832 HydrophobicContact CE1-CG1 4.34Å; F605-I849 HydrophobicContact CB-CD1 4.37Å; F605-I849 HydrophobicContact CB-CG1 4.47Å; F605-I849 HydrophobicContact CB-CG2 3.8Å; F605-L858 HydrophobicContact CB-CD2 4.42Å
606	M	94.1	Very high	89.3	Confident	13 Å²	13	34.5 Å²	34.5	6%	0.064	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	126.3	176.7	-175.4	173.1	-70.3	0	0	109.8	F513 F534 P604 T806 G829 Y830 R862 L866	F513-M606 HydrophobicContact CE1-CE 4.17Å; F513-M606 HydrophobicContact CE1-SD 3.83Å; F513-M606 HydrophobicContact CZ-SD 4.19Å; F534-M606 HydrophobicContact CD1-CE 4.15Å; F534-M606 HydrophobicContact CD2-CE 3.91Å; F534-M606 HydrophobicContact CE1-CE 3.74Å; F534-M606 HydrophobicContact CE2-CE 3.42Å; F534-M606 VanDerWaalsContact CE2-CE 3.42Å; F534-M606 HydrophobicContact CG-CE 4.27Å; F534-M606 HydrophobicContact CZ-CE 3.35Å; P604-M606 VanDerWaalsContact C-N 3.32Å; M606-T806 HydrophobicContact CG-CG2 3.94Å; M606-T806 HydrophobicContact SD-CG2 3.4Å; M606-T806 WeakPolarHBondContact SD-CG2 3.32Å; M606-G829 CarbonylContact O-C 2.59Å; M606-G829 WeakPolarHBondContact O-CA 3.46Å; M606-Y830 HydrophobicContact CB-CD2 4.1Å; M606-Y830 HydrophobicContact CG-CD2 4.35Å; M606-Y830 PolarHBondContact O-N 2.86Å; M606-Y830 HydrophobicContact SD-CD2 4.1Å; M606-Y830 HydrophobicContact SD-CE2 4.2Å; M606-R862 HydrophobicContact CE-CB 4.39Å; M606-R862 HydrophobicContact CE-CG 4.26Å; M606-L866 HydrophobicContact CE-CD1 4.07Å
607	S	91.8	Very high	88.1	Confident	101 Å²	101	33.3 Å²	33.3	71%	0.706	18%	0.182	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	137.5	172.6	-52.7	0	0	0	0	110.3
608	L	91.3	Very high	86.6	Confident	7 Å²	7	33.1 Å²	33.1	4%	0.037	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	168	-180	68.6	91.8	0	0	0	110.7	E804 T806 R828 Y830	L608-E804 HydrophobicContact CD1-CB 4.01Å; L608-E804 HydrophobicContact CD1-CG 3.79Å; L608-T806 HydrophobicContact CB-CG2 3.77Å; L608-R828 HydrophobicContact CD1-CB 3.74Å; L608-R828 HydrophobicContact CG-CB 4.13Å; L608-R828 PolarHBondContact N-O 3.43Å; L608-R828 CarbonylContact O-C 3.45Å; L608-R828 PolarHBondContact O-N 3.31Å; L608-Y830 HydrophobicContact CD2-CD1 3.35Å; L608-Y830 HydrophobicContact CD2-CD2 3.8Å; L608-Y830 HydrophobicContact CD2-CE1 3.16Å; L608-Y830 HydrophobicContact CD2-CE2 3.61Å; L608-Y830 HydrophobicContact CD2-CG 3.67Å
609	S	90	Very high	84.9	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.007	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	170.8	169.8	78	0	0	0	0	109.7	E804 S805 L824 L825	S609-E804 CarbonylContact O-C 3.58Å; S609-E804 WeakPolarHBondContact O-CA 3.5Å; S609-S805 PolarHBondContact N-OG 2.84Å; S609-S805 WeakPolarHBondContact O-CB 3.5Å; S609-S805 PolarHBondContact O-N 3Å; S609-S805 PolarHBondContact O-OG 2.99Å; S609-L824 VanDerWaalsContact OG-CA 3.29Å; S609-L824 WeakPolarHBondContact OG-CA 3.48Å; S609-L824 WeakPolarHBondContact OG-CB 3.19Å; S609-L824 WeakPolarHBondContact OG-CD2 3.45Å; S609-L825 WeakPolarHBondContact CB-O 3.36Å
610	L	90.1	Very high	82.9	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	141.1	163.7	-59.5	-178.4	0	0	0	109.9	T757 F760 E804 L825 D826	L610-T757 HydrophobicContact CD1-CG2 4.11Å; L610-T757 HydrophobicContact CD2-CG2 3.79Å; L610-T757 VanDerWaalsContact CD2-OG1 3.29Å; L610-T757 WeakPolarHBondContact CD2-OG1 2.91Å; L610-F760 HydrophobicContact CD1-CB 4.38Å; L610-F760 HydrophobicContact CD1-CD1 3.37Å; L610-F760 HydrophobicContact CD1-CD2 4.49Å; L610-F760 HydrophobicContact CD1-CE1 3.66Å; L610-F760 HydrophobicContact CD1-CG 3.82Å; L610-F760 HydrophobicContact CD1-CZ 4.33Å; L610-E804 HydrophobicContact CD2-CG 4.43Å; L610-L825 HydrophobicContact CB-CB 4.38Å; L610-L825 PolarHBondContact N-O 2.89Å; L610-L825 PolarHBondContact O-N 3.34Å; L610-D826 HydrophobicContact CD1-CB 4.29Å; L610-D826 HydrophobicContact CG-CB 4.45Å
611	S	87.8	Confident	80.9	Confident	12 Å²	12	46.3 Å²	46.3	8%	0.084	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	160.7	174	51.9	0	0	0	0	110.4	L803 S805 N808	S611-L803 PolarHBondContact N-O 2.93Å; S611-L803 PolarHBondContact O-N 3.14Å; S611-S805 VanDerWaalsContact OG-CA 3.25Å; S611-S805 WeakPolarHBondContact OG-CA 3.42Å; S611-N808 VanDerWaalsContact C-ND2 3.3Å; S611-N808 PolarHBondContact O-ND2 3.14Å; S611-N808 VanDerWaalsContact O-ND2 3.13Å; S611-N808 PolarHBondContact OG-ND2 3.04Å
612	V	89	Confident	79.2	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.006	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	141	-176.3	-173.9	0	0	0	0	109.1	I614 V738 L741 A800 L801 I802 P820 L821	V612-I614 HydrophobicContact CG1-CG2 4.09Å; V612-V738 HydrophobicContact CG2-CG2 3.61Å; V612-L741 HydrophobicContact CG1-CD2 4.07Å; V612-L741 HydrophobicContact CG2-CD2 4.15Å; V612-A800 HydrophobicContact CG1-CB 3.71Å; V612-L801 WeakPolarHBondContact CA-O 3.23Å; V612-I802 HydrophobicContact CG2-CG1 4.23Å; V612-P820 CarbonylContact O-C 3.59Å; V612-P820 WeakPolarHBondContact O-CA 3.46Å; V612-L821 HydrophobicContact CB-CB 4.32Å; V612-L821 HydrophobicContact CB-CD2 4.48Å; V612-L821 PolarHBondContact N-O 3.48Å; V612-L821 VanDerWaalsContact N-O 3.16Å; V612-L821 PolarHBondContact O-N 3.48Å
613	I	89.6	Confident	77.7	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	132.2	168.4	-160.1	167.1	0	0	0	109.9	I791 V794 A800 L801 L803 N808 L818	I613-I791 HydrophobicContact CD1-CD1 4.23Å; I613-I791 HydrophobicContact CG2-CD1 4.07Å; I613-V794 HydrophobicContact CG2-CG2 4.19Å; I613-A800 WeakPolarHBondContact O-CA 3.48Å; I613-L801 HydrophobicContact CG2-CB 3.91Å; I613-L801 PolarHBondContact N-O 3.47Å; I613-L801 PolarHBondContact O-N 3.38Å; I613-L801 VanDerWaalsContact O-N 3.1Å; I613-L803 HydrophobicContact CB-CD2 4.26Å; I613-L803 HydrophobicContact CG2-CD2 3.6Å; I613-N808 WeakPolarHBondContact CB-OD1 3.35Å; I613-L818 HydrophobicContact CD1-CB 3.82Å; I613-L818 HydrophobicContact CD1-CD1 3.92Å; I613-L818 HydrophobicContact CD1-CD2 4.5Å; I613-L818 HydrophobicContact CD1-CG 4.3Å; I613-L818 HydrophobicContact CG1-CB 3.97Å; I613-L818 HydrophobicContact CG1-CD2 4.41Å
614	I	87.9	Confident	76.2	Confident	22 Å²	22	55.4 Å²	55.4	11%	0.113	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	163.3	179	59.8	162.2	0	0	0	110.7	V612 K616 A800 L818 T819 L821	V612-I614 HydrophobicContact CG1-CG2 4.09Å; I614-K616 PolarHBondContact O-N 3.32Å; I614-A800 HydrophobicContact CG2-CB 3.57Å; I614-L818 WeakPolarHBondContact O-CA 3.47Å; I614-T819 PolarHBondContact N-O 3.37Å; I614-T819 VanDerWaalsContact N-O 3.11Å; I614-T819 PolarHBondContact O-N 3.04Å; I614-L821 HydrophobicContact CD1-CD1 3.47Å; I614-L821 VanDerWaalsContact CD1-CD1 3.47Å; I614-L821 HydrophobicContact CG1-CD1 4Å
615	Q	84.4	Confident	75	Confident	75 Å²	75	58 Å²	58	35%	0.35	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	131.8	165.3	-163.4	-178.7	32.6	0	0	109.6	S617 V794 L795 K817	Q615-S617 PolarHBondContact O-N 3.17Å; Q615-S617 VanDerWaalsContact O-N 3.11Å; Q615-V794 WeakPolarHBondContact CB-O 3.32Å; Q615-L795 PolarHBondContact NE2-O 3.03Å; Q615-K817 CarbonylContact C-O 3.56Å; Q615-K817 WeakPolarHBondContact CA-O 3.39Å
616	K	72.7	Confident	74	Confident	67 Å²	67	59.8 Å²	59.8	29%	0.291	35%	0.347	S	S	.	.			trans	-60.7	113.5	168.1	-168.8	174.5	178.6	-174.9	0	108.1	I614 N618 K817 T882	I614-K616 PolarHBondContact O-N 3.32Å; K616-N618 PolarHBondContact O-N 3.31Å; K616-K817 WeakPolarHBondContact CB-O 3.45Å; K616-K817 PolarHBondContact N-O 3.5Å; K616-T882 PolarHBondContact NZ-O 3.09Å
617	S	63	Low	72.8	Confident	78 Å²	78	59.2 Å²	59.2	55%	0.545	34%	0.344	S	S	.	.			trans	-63.8	111.6	171.2	166.1	0	0	0	0	108.9	Q615 S619	Q615-S617 PolarHBondContact O-N 3.17Å; Q615-S617 VanDerWaalsContact O-N 3.11Å; S617-S619 PolarHBondContact O-N 2.8Å; S617-S619 VanDerWaalsContact O-N 3.13Å
618	N	53	Low	72.2	Confident	128 Å²	128	54.4 Å²	54.4	68%	0.684	31%	0.31	S	S	*	.			trans	-79.6	82.4	161.9	-74.7	-16.1	0	0	0	107	K616 D620	K616-N618 PolarHBondContact O-N 3.31Å; N618-D620 PolarHBondContact O-N 3.43Å; N618-D620 VanDerWaalsContact O-N 3.16Å
619	S	47.5	Very low	71.8	Confident	96 Å²	96	54.1 Å²	54.1	67%	0.671	31%	0.309	S	S	*	.			trans	-62.6	119.3	163.5	62.7	0	0	0	0	107.1	S617	S617-S619 PolarHBondContact O-N 2.8Å; S617-S619 VanDerWaalsContact O-N 3.13Å
620	D	45.2	Very low	71.5	Confident	146 Å²	146	54.7 Å²	54.7	78%	0.781	31%	0.312	S	S	*	.			trans	-48.4	132.4	-178.1	-79.5	-39.4	0	0	0	109.8	N618 G622	N618-D620 PolarHBondContact O-N 3.43Å; N618-D620 VanDerWaalsContact O-N 3.16Å; D620-G622 PolarHBondContact O-N 3.26Å
621	P	45.8	Very low	71.2	Confident	93 Å²	93	59.7 Å²	59.7	60%	0.604	34%	0.339	S	S	*	.			trans	-71.3	76.1	166	32.8	-31.5	0	0	0	106.3	Q624	P621-Q624 HydrophobicContact CB-CG 4.5Å
622	G	57.9	Low	71.1	Confident	52 Å²	52	64.8 Å²	64.8	54%	0.536	36%	0.362	S	S	.	.			trans	-60.8	-159.4	161.5	0	0	0	0	0	109.6	D620 Q624	D620-G622 PolarHBondContact O-N 3.26Å; G622-Q624 VanDerWaalsContact C-N 3.33Å; G622-Q624 PolarHBondContact O-N 2.89Å
623	L	63.4	Low	71.2	Confident	111 Å²	111	64.7 Å²	64.7	58%	0.581	36%	0.361	S	S	*	.			trans	-59.8	90.3	-179.3	-62.8	161.9	0	0	0	110.9	F625 T626	L623-F625 HydrophobicContact CB-CD1 3.91Å; L623-F625 HydrophobicContact CB-CE1 3.52Å; L623-F625 HydrophobicContact CB-CE2 4.16Å; L623-F625 HydrophobicContact CB-CG 4.44Å; L623-F625 HydrophobicContact CB-CZ 3.63Å; L623-F625 HydrophobicContact CD1-CE1 4.27Å; L623-F625 HydrophobicContact CD1-CZ 3.78Å; L623-F625 HydrophobicContact CD2-CD1 4.18Å; L623-F625 HydrophobicContact CD2-CE1 3.18Å; L623-F625 HydrophobicContact CD2-CZ 3.53Å; L623-F625 HydrophobicContact CG-CE1 3.78Å; L623-F625 HydrophobicContact CG-CZ 3.8Å; L623-F625 PolarHBondContact O-N 3.02Å; L623-T626 HydrophobicContact CB-CG2 3.87Å; L623-T626 WeakPolarHBondContact O-CB 3.38Å; L623-T626 PolarHBondContact O-N 3.19Å; L623-T626 PolarHBondContact O-OG1 3.11Å
624	Q	63.8	Low	71.2	Confident	94 Å²	94	69.5 Å²	69.5	44%	0.439	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-59.1	-23.1	-175.8	-66.2	-174.7	3.2	0	0	111.9	P621 G622 T626 A627	P621-Q624 HydrophobicContact CB-CG 4.5Å; G622-Q624 VanDerWaalsContact C-N 3.33Å; G622-Q624 PolarHBondContact O-N 2.89Å; Q624-T626 PolarHBondContact O-N 2.87Å; Q624-A627 WeakPolarHBondContact O-CB 3.42Å; Q624-A627 PolarHBondContact O-N 3.12Å; Q624-A627 VanDerWaalsContact O-N 3.11Å
625	F	72	Confident	71.4	Confident	111 Å²	111	73.7 Å²	73.7	49%	0.487	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-65.5	-20.9	172.8	66.5	-104.2	0	0	0	114	L623 A627 P628 Y718	L623-F625 HydrophobicContact CB-CD1 3.91Å; L623-F625 HydrophobicContact CB-CE1 3.52Å; L623-F625 HydrophobicContact CB-CE2 4.16Å; L623-F625 HydrophobicContact CB-CG 4.44Å; L623-F625 HydrophobicContact CB-CZ 3.63Å; L623-F625 HydrophobicContact CD1-CE1 4.27Å; L623-F625 HydrophobicContact CD1-CZ 3.78Å; L623-F625 HydrophobicContact CD2-CD1 4.18Å; L623-F625 HydrophobicContact CD2-CE1 3.18Å; L623-F625 HydrophobicContact CD2-CZ 3.53Å; L623-F625 HydrophobicContact CG-CE1 3.78Å; L623-F625 HydrophobicContact CG-CZ 3.8Å; L623-F625 PolarHBondContact O-N 3.02Å; F625-A627 VanDerWaalsContact C-N 3.29Å; F625-P628 VanDerWaalsContact O-CD 3.24Å; F625-P628 WeakPolarHBondContact O-CD 3.36Å; F625-Y718 VanDerWaalsContact O-CE2 3.26Å; F625-Y718 WeakPolarHBondContact O-CE2 3.44Å; F625-Y718 PolarHBondContact O-OH 2.83Å
626	T	74.3	Confident	71.8	Confident	46 Å²	46	71.4 Å²	71.4	28%	0.282	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-80.4	-14.2	174.6	64.1	0	0	0	0	112.8	L623 Q624 L629 W634	L623-T626 HydrophobicContact CB-CG2 3.87Å; L623-T626 WeakPolarHBondContact O-CB 3.38Å; L623-T626 PolarHBondContact O-N 3.19Å; L623-T626 PolarHBondContact O-OG1 3.11Å; Q624-T626 PolarHBondContact O-N 2.87Å; T626-L629 VanDerWaalsContact O-O 3.11Å; T626-W634 PolarHBondContact O-NE1 3.38Å
627	A	68.8	Low	72.7	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-40.7	-177.4	0	0	0	0	0	116.2	Q624 F625 L629 F725 R887 K889	Q624-A627 WeakPolarHBondContact O-CB 3.42Å; Q624-A627 PolarHBondContact O-N 3.12Å; Q624-A627 VanDerWaalsContact O-N 3.11Å; F625-A627 VanDerWaalsContact C-N 3.29Å; A627-L629 VanDerWaalsContact C-N 3.33Å; A627-L629 PolarHBondContact O-N 2.81Å; A627-F725 HydrophobicContact CB-CD1 4.27Å; A627-F725 HydrophobicContact CB-CE1 4.06Å; A627-F725 HydrophobicContact CB-CE2 4.47Å; A627-F725 HydrophobicContact CB-CZ 4.22Å; A627-R887 HydrophobicContact CB-CG 4.39Å; A627-R887 VanDerWaalsContact CB-NE 3.26Å; A627-K889 WeakPolarHBondContact O-CG 3.37Å
628	P	78.9	Confident	74.1	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-28.8	-168.4	-22	34.6	0	0	0	114	F625 Y718 N721 L722 L890	F625-P628 VanDerWaalsContact O-CD 3.24Å; F625-P628 WeakPolarHBondContact O-CD 3.36Å; P628-Y718 HydrophobicContact CB-CD2 4.01Å; P628-Y718 HydrophobicContact CB-CE2 4.15Å; P628-Y718 HydrophobicContact CG-CD2 4.03Å; P628-Y718 HydrophobicContact CG-CE2 3.68Å; P628-N721 HydrophobicContact CB-CB 4.06Å; P628-N721 PolarHBondContact O-ND2 2.99Å; P628-L722 HydrophobicContact CG-CB 3.8Å; P628-L722 HydrophobicContact CG-CD1 3.7Å; P628-L722 HydrophobicContact CG-CG 4.33Å; P628-L890 PolarHBondContact O-N 3.28Å
629	L	82.9	Confident	76.1	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.01	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-109.8	144.3	-179.2	-60.3	173.4	0	0	0	109.7	T626 A627 V633 W634 Y718 L890 M895	T626-L629 VanDerWaalsContact O-O 3.11Å; A627-L629 VanDerWaalsContact C-N 3.33Å; A627-L629 PolarHBondContact O-N 2.81Å; L629-V633 HydrophobicContact CB-CB 4.35Å; L629-V633 HydrophobicContact CB-CG1 4.22Å; L629-V633 HydrophobicContact CD1-CG1 4.34Å; L629-V633 HydrophobicContact CD2-CG1 4.13Å; L629-V633 HydrophobicContact CG-CG1 4.45Å; L629-W634 HydrophobicContact CD1-CD2 4.49Å; L629-W634 HydrophobicContact CD1-CH2 4.37Å; L629-W634 HydrophobicContact CD1-CZ2 4.03Å; L629-Y718 HydrophobicContact CD1-CD2 4.09Å; L629-Y718 HydrophobicContact CG-CD2 4.18Å; L629-L890 HydrophobicContact CD2-CB 3.97Å; L629-L890 HydrophobicContact CD2-CD1 4.14Å; L629-M895 HydrophobicContact CD2-CE 4.18Å; L629-M895 HydrophobicContact CD2-SD 3.94Å
630	S	84.1	Confident	78.3	Confident	12 Å²	12	61.4 Å²	61.4	8%	0.084	34%	0.339	C	S	.	.			trans	-68.4	157.2	174.9	76.9	0	0	0	0	111.3	E632 V633 W634 L890	S630-E632 PolarHBondContact O-N 2.82Å; S630-V633 PolarHBondContact O-N 2.86Å; S630-V633 WeakPolarHBondContact OG-CG2 3.45Å; S630-V633 PolarHBondContact OG-N 3.31Å; S630-W634 PolarHBondContact O-N 3.37Å; S630-L890 PolarHBondContact N-O 3.22Å; S630-L890 VanDerWaalsContact N-O 3.1Å
631	N	83.4	Confident	80.7	Confident	107 Å²	107	57.6 Å²	57.6	57%	0.572	31%	0.314	S	S	*	.	H	α-helix	trans	-58.2	-35.6	176.2	-67.5	4.8	0	0	0	111.2	V633 W634 I635	N631-V633 PolarHBondContact O-N 3.05Å; N631-W634 PolarHBondContact O-N 3.42Å; N631-I635 WeakPolarHBondContact O-CD1 3.41Å; N631-I635 VanDerWaalsContact O-CG1 3.25Å; N631-I635 WeakPolarHBondContact O-CG1 3.32Å; N631-I635 PolarHBondContact O-N 2.98Å
632	E	86.1	Confident	83	Confident	119 Å²	119	58.3 Å²	58.3	56%	0.556	31%	0.308	S	S	*	.	H	α-helix	trans	-60.4	-42.5	174.3	-59.2	170.5	174.5	0	0	112.1	S630 S636	S630-E632 PolarHBondContact O-N 2.82Å; E632-S636 WeakPolarHBondContact O-CB 3.18Å; E632-S636 PolarHBondContact O-N 3.21Å; E632-S636 PolarHBondContact O-OG 3.18Å
633	V	90.3	Very high	84.8	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-68.4	-42.3	177.5	174.4	0	0	0	0	110.6	L629 S630 N631 I635 S636 V637 L890 L892 M895 F899	L629-V633 HydrophobicContact CB-CB 4.35Å; L629-V633 HydrophobicContact CB-CG1 4.22Å; L629-V633 HydrophobicContact CD1-CG1 4.34Å; L629-V633 HydrophobicContact CD2-CG1 4.13Å; L629-V633 HydrophobicContact CG-CG1 4.45Å; S630-V633 PolarHBondContact O-N 2.86Å; S630-V633 WeakPolarHBondContact OG-CG2 3.45Å; S630-V633 PolarHBondContact OG-N 3.31Å; N631-V633 PolarHBondContact O-N 3.05Å; V633-I635 PolarHBondContact O-N 2.89Å; V633-S636 CarbonylContact O-C 3.6Å; V633-S636 WeakPolarHBondContact O-CB 3.35Å; V633-S636 PolarHBondContact O-N 3.15Å; V633-S636 VanDerWaalsContact O-N 3.16Å; V633-V637 HydrophobicContact CG1-CG2 4.29Å; V633-V637 WeakPolarHBondContact O-CG2 3.33Å; V633-V637 PolarHBondContact O-N 2.8Å; V633-L890 WeakPolarHBondContact CG2-O 2.91Å; V633-L892 HydrophobicContact CG2-CB 4.17Å; V633-L892 HydrophobicContact CG2-CD1 4.47Å; V633-M895 HydrophobicContact CG1-SD 4.28Å; V633-F899 HydrophobicContact CG1-CE2 4.36Å; V633-F899 HydrophobicContact CG1-CZ 4.26Å
634	W	90.5	Very high	86.3	Confident	100 Å²	100	53.3 Å²	53.3	38%	0.379	27%	0.272	S	S	.	.	H	α-helix	trans	-58.7	-46.4	174.9	-81.1	114.7	0	0	0	112.5	T626 L629 S630 N631 S636 V637 G638 Y718	T626-W634 PolarHBondContact O-NE1 3.38Å; L629-W634 HydrophobicContact CD1-CD2 4.49Å; L629-W634 HydrophobicContact CD1-CH2 4.37Å; L629-W634 HydrophobicContact CD1-CZ2 4.03Å; S630-W634 PolarHBondContact O-N 3.37Å; N631-W634 PolarHBondContact O-N 3.42Å; W634-S636 VanDerWaalsContact C-N 3.3Å; W634-S636 PolarHBondContact O-N 3.43Å; W634-V637 PolarHBondContact O-N 2.93Å; W634-G638 PolarHBondContact O-N 2.9Å; W634-Y718 HydrophobicContact CZ2-CE2 4.22Å
635	I	91.6	Very high	87.7	Confident	111 Å²	111	48.9 Å²	48.9	57%	0.569	25%	0.251	S	S	*	.	H	α-helix	trans	-60.6	-43.7	175.1	-67.6	164.4	0	0	0	110	N631 V633 V637 G638 I639	N631-I635 WeakPolarHBondContact O-CD1 3.41Å; N631-I635 VanDerWaalsContact O-CG1 3.25Å; N631-I635 WeakPolarHBondContact O-CG1 3.32Å; N631-I635 PolarHBondContact O-N 2.98Å; V633-I635 PolarHBondContact O-N 2.89Å; I635-V637 PolarHBondContact O-N 3.12Å; I635-G638 PolarHBondContact O-N 2.59Å; I635-I639 HydrophobicContact CG2-CD1 3.89Å; I635-I639 HydrophobicContact CG2-CG1 4.49Å; I635-I639 WeakPolarHBondContact O-CG1 3.37Å; I635-I639 PolarHBondContact O-N 2.8Å
636	S	91.7	Very high	88.7	Confident	26 Å²	26	46.5 Å²	46.5	18%	0.182	24%	0.243	C	C	.	.	H	α-helix	trans	-63.8	-40	178.6	-57.6	0	0	0	0	112.8	E632 V633 W634 I639 A640	E632-S636 WeakPolarHBondContact O-CB 3.18Å; E632-S636 PolarHBondContact O-N 3.21Å; E632-S636 PolarHBondContact O-OG 3.18Å; V633-S636 CarbonylContact O-C 3.6Å; V633-S636 WeakPolarHBondContact O-CB 3.35Å; V633-S636 PolarHBondContact O-N 3.15Å; V633-S636 VanDerWaalsContact O-N 3.16Å; W634-S636 VanDerWaalsContact C-N 3.3Å; W634-S636 PolarHBondContact O-N 3.43Å; S636-I639 PolarHBondContact O-N 2.91Å; S636-A640 VanDerWaalsContact O-CB 3.31Å; S636-A640 WeakPolarHBondContact O-CB 3.38Å; S636-A640 PolarHBondContact O-N 2.8Å
637	V	92.7	Very high	89.5	Confident	10 Å²	10	45.4 Å²	45.4	6%	0.061	24%	0.236	C	C	.	.	H	α-helix	trans	-64.5	-41	173.6	172	0	0	0	0	110.7	V633 W634 I635 A640 Y641 F710 I714 F899	V633-V637 HydrophobicContact CG1-CG2 4.29Å; V633-V637 WeakPolarHBondContact O-CG2 3.33Å; V633-V637 PolarHBondContact O-N 2.8Å; W634-V637 PolarHBondContact O-N 2.93Å; I635-V637 PolarHBondContact O-N 3.12Å; V637-A640 PolarHBondContact O-N 3.33Å; V637-Y641 WeakPolarHBondContact O-CB 3.37Å; V637-Y641 PolarHBondContact O-N 3.3Å; V637-F710 HydrophobicContact CG2-CZ 4.49Å; V637-I714 HydrophobicContact CG2-CD1 4.44Å; V637-I714 HydrophobicContact CG2-CG2 4.39Å; V637-F899 HydrophobicContact CG2-CE1 4.35Å; V637-F899 HydrophobicContact CG2-CZ 3.95Å
638	G	93.1	Very high	90.6	Very high	39 Å²	39	45.4 Å²	45.4	40%	0.402	24%	0.236	S	C	.	.	H	α-helix	trans	-62.1	-43.2	175.2	0	0	0	0	0	113	W634 I635 Y641 F642	W634-G638 PolarHBondContact O-N 2.9Å; I635-G638 PolarHBondContact O-N 2.59Å; G638-Y641 PolarHBondContact O-N 3.1Å; G638-F642 PolarHBondContact O-N 3.41Å; G638-F642 VanDerWaalsContact O-N 3.12Å
639	I	94.1	Very high	91.2	Very high	102 Å²	102	48 Å²	48	52%	0.523	25%	0.247	S	C	.	.	H	α-helix	trans	-63.7	-46.2	173.9	-67.4	167.7	0	0	0	110.3	I635 S636 Y641 F642 V643	I635-I639 HydrophobicContact CG2-CD1 3.89Å; I635-I639 HydrophobicContact CG2-CG1 4.49Å; I635-I639 WeakPolarHBondContact O-CG1 3.37Å; I635-I639 PolarHBondContact O-N 2.8Å; S636-I639 PolarHBondContact O-N 2.91Å; I639-Y641 VanDerWaalsContact C-N 3.35Å; I639-Y641 PolarHBondContact O-N 3.26Å; I639-F642 PolarHBondContact O-N 3.2Å; I639-V643 HydrophobicContact CG2-CG2 4.15Å; I639-V643 WeakPolarHBondContact O-CG2 3.43Å; I639-V643 PolarHBondContact O-N 2.77Å
640	A	94.4	Very high	91.5	Very high	9 Å²	9	52.1 Å²	52.1	7%	0.074	27%	0.269	C	S	.	.	H	α-helix	trans	-59	-44.3	178.3	0	0	0	0	0	112	S636 V637 F642 V643 V644 W707 F710 L902	S636-A640 VanDerWaalsContact O-CB 3.31Å; S636-A640 WeakPolarHBondContact O-CB 3.38Å; S636-A640 PolarHBondContact O-N 2.8Å; V637-A640 PolarHBondContact O-N 3.33Å; A640-F642 PolarHBondContact O-N 2.84Å; A640-V643 PolarHBondContact O-N 2.62Å; A640-V644 WeakPolarHBondContact O-CB 3.41Å; A640-V644 WeakPolarHBondContact O-CG2 3.26Å; A640-V644 PolarHBondContact O-N 3.04Å; A640-W707 HydrophobicContact CB-CZ3 4.36Å; A640-F710 HydrophobicContact CB-CE1 4.32Å; A640-F710 HydrophobicContact CB-CZ 4.36Å; A640-L902 HydrophobicContact CB-CD2 3.74Å
641	Y	94.3	Very high	91.8	Very high	65 Å²	65	51.8 Å²	51.8	26%	0.255	27%	0.266	S	S	.	.	H	α-helix	trans	-56.2	-48	173.6	163.6	-106.6	0	0	0	111.9	V637 G638 I639 S645 F679 T682 A683 W707	V637-Y641 WeakPolarHBondContact O-CB 3.37Å; V637-Y641 PolarHBondContact O-N 3.3Å; G638-Y641 PolarHBondContact O-N 3.1Å; I639-Y641 VanDerWaalsContact C-N 3.35Å; I639-Y641 PolarHBondContact O-N 3.26Å; Y641-S645 VanDerWaalsContact O-CB 3.28Å; Y641-S645 WeakPolarHBondContact O-CB 3.4Å; Y641-S645 PolarHBondContact O-N 2.92Å; Y641-S645 PolarHBondContact O-OG 2.91Å; Y641-F679 AromaticContact CE1-CD1 3.87Å; Y641-F679 HydrophobicContact CE1-CD1 3.87Å; Y641-F679 HydrophobicContact CE1-CE1 4.12Å; Y641-F679 HydrophobicContact CE2-CD1 4.5Å; Y641-F679 AromaticContact CZ-CD1 3.69Å; Y641-F679 WeakPolarHBondContact OH-CD1 3.36Å; Y641-T682 WeakPolarHBondContact CE2-OG1 3.49Å; Y641-A683 HydrophobicContact CE2-CB 4.01Å; Y641-W707 HydrophobicContact CD2-CZ2 4.42Å
642	F	95	Very high	91.9	Very high	108 Å²	108	46.7 Å²	46.7	47%	0.474	24%	0.239	S	C	.	.	H	α-helix	trans	-64	-47.1	179.5	-174.2	-93	0	0	0	112	G638 I639 A640 S645 L646 F679	G638-F642 PolarHBondContact O-N 3.41Å; G638-F642 VanDerWaalsContact O-N 3.12Å; I639-F642 PolarHBondContact O-N 3.2Å; A640-F642 PolarHBondContact O-N 2.84Å; F642-S645 PolarHBondContact O-N 2.84Å; F642-L646 HydrophobicContact CE1-CD2 4.3Å; F642-L646 WeakPolarHBondContact O-CB 3.44Å; F642-L646 PolarHBondContact O-N 3.34Å; F642-F679 AromaticContact CD2-CE1 3.87Å; F642-F679 HydrophobicContact CD2-CE1 3.87Å; F642-F679 AromaticContact CD2-CZ 3.79Å; F642-F679 HydrophobicContact CD2-CZ 3.79Å; F642-F679 HydrophobicContact CE2-CE1 4.29Å; F642-F679 AromaticContact CE2-CZ 3.82Å; F642-F679 HydrophobicContact CE2-CZ 3.82Å
643	V	94.9	Very high	91.9	Very high	59 Å²	59	43.7 Å²	43.7	36%	0.358	22%	0.223	S	C	.	.	H	α-helix	trans	-60.4	-50.4	179.8	170.7	0	0	0	0	110.9	I639 A640 S645 L646 T647 L906	I639-V643 HydrophobicContact CG2-CG2 4.15Å; I639-V643 WeakPolarHBondContact O-CG2 3.43Å; I639-V643 PolarHBondContact O-N 2.77Å; A640-V643 PolarHBondContact O-N 2.62Å; V643-S645 VanDerWaalsContact C-N 3.34Å; V643-S645 PolarHBondContact O-N 3.11Å; V643-L646 PolarHBondContact O-N 3.38Å; V643-T647 WeakPolarHBondContact O-CB 3.33Å; V643-T647 PolarHBondContact O-N 3.44Å; V643-T647 PolarHBondContact O-OG1 3.12Å; V643-L906 HydrophobicContact CG1-CD1 4.16Å
644	V	94.9	Very high	91.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64	-40.7	-179.1	176.1	0	0	0	0	111.2	A640 L646 T647 L648 T682 I703 W707 L902 L906	A640-V644 WeakPolarHBondContact O-CB 3.41Å; A640-V644 WeakPolarHBondContact O-CG2 3.26Å; A640-V644 PolarHBondContact O-N 3.04Å; V644-L646 VanDerWaalsContact C-N 3.34Å; V644-L646 PolarHBondContact O-N 3.47Å; V644-T647 PolarHBondContact O-N 3.31Å; V644-L648 HydrophobicContact CG1-CD1 4.15Å; V644-L648 HydrophobicContact CG1-CG 4.47Å; V644-L648 WeakPolarHBondContact O-CB 3.48Å; V644-L648 WeakPolarHBondContact O-CG 3.03Å; V644-L648 PolarHBondContact O-N 2.86Å; V644-T682 HydrophobicContact CB-CG2 4.46Å; V644-T682 HydrophobicContact CG1-CG2 3.87Å; V644-I703 HydrophobicContact CG1-CG2 4.24Å; V644-W707 HydrophobicContact CB-CD2 4.4Å; V644-W707 HydrophobicContact CB-CE3 4.06Å; V644-W707 HydrophobicContact CB-CZ3 4.3Å; V644-W707 HydrophobicContact CG1-CB 4.16Å; V644-W707 HydrophobicContact CG1-CD2 3.91Å; V644-W707 HydrophobicContact CG1-CE3 4Å; V644-W707 HydrophobicContact CG1-CG 4Å; V644-W707 HydrophobicContact CG2-CD2 4.4Å; V644-W707 HydrophobicContact CG2-CE3 3.64Å; V644-W707 HydrophobicContact CG2-CZ3 3.86Å; V644-L902 HydrophobicContact CG2-CD1 4.05Å; V644-L902 HydrophobicContact CG2-CD2 4.21Å; V644-L906 HydrophobicContact CG2-CD1 4.05Å; V644-L906 HydrophobicContact CG2-CD2 4.21Å
645	S	93.8	Very high	91.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.8	-42.9	176.8	-56.8	0	0	0	0	111.7	Y641 F642 V643 F649 S678 T682	Y641-S645 VanDerWaalsContact O-CB 3.28Å; Y641-S645 WeakPolarHBondContact O-CB 3.4Å; Y641-S645 PolarHBondContact O-N 2.92Å; Y641-S645 PolarHBondContact O-OG 2.91Å; F642-S645 PolarHBondContact O-N 2.84Å; V643-S645 VanDerWaalsContact C-N 3.34Å; V643-S645 PolarHBondContact O-N 3.11Å; S645-F649 WeakPolarHBondContact O-CB 3.34Å; S645-F649 PolarHBondContact O-N 3.19Å; S645-S678 WeakPolarHBondContact O-CB 3.38Å; S645-T682 WeakPolarHBondContact OG-CB 3.37Å; S645-T682 WeakPolarHBondContact OG-CG2 3.4Å; S645-T682 PolarHBondContact OG-OG1 3Å
646	L	93	Very high	90.6	Very high	62 Å²	62	36.5 Å²	36.5	33%	0.325	20%	0.195	S	C	.	.	H	α-helix	trans	-67.7	-43.5	176.8	-175.5	64	0	0	0	111.5	F642 V643 V644 F649 L650	F642-L646 HydrophobicContact CE1-CD2 4.3Å; F642-L646 WeakPolarHBondContact O-CB 3.44Å; F642-L646 PolarHBondContact O-N 3.34Å; V643-L646 PolarHBondContact O-N 3.38Å; V644-L646 VanDerWaalsContact C-N 3.34Å; V644-L646 PolarHBondContact O-N 3.47Å; L646-F649 HydrophobicContact CD1-CD1 4.43Å; L646-F649 PolarHBondContact O-N 3.02Å; L646-L650 HydrophobicContact CD1-CD1 4.48Å; L646-L650 HydrophobicContact CD1-CG 4.47Å; L646-L650 HydrophobicContact CG-CD1 4.16Å; L646-L650 WeakPolarHBondContact O-CG 3.28Å; L646-L650 PolarHBondContact O-N 3.11Å
647	T	91.9	Very high	90.2	Very high	23 Å²	23	39.9 Å²	39.9	14%	0.141	21%	0.205	C	C	.	.	H	α-helix	trans	-62.1	-44	177.3	-60	0	0	0	0	111.4	V643 V644 L650 I651 I703 L906	V643-T647 WeakPolarHBondContact O-CB 3.33Å; V643-T647 PolarHBondContact O-N 3.44Å; V643-T647 PolarHBondContact O-OG1 3.12Å; V644-T647 PolarHBondContact O-N 3.31Å; T647-L650 PolarHBondContact O-N 3.42Å; T647-I651 HydrophobicContact CG2-CD1 3.61Å; T647-I651 HydrophobicContact CG2-CG1 4.37Å; T647-I651 VanDerWaalsContact O-CB 3.31Å; T647-I651 WeakPolarHBondContact O-CB 3.45Å; T647-I651 WeakPolarHBondContact O-CG1 3.4Å; T647-I651 PolarHBondContact O-N 3.12Å; T647-I703 HydrophobicContact CG2-CD1 4.03Å; T647-L906 HydrophobicContact CG2-CD2 4.26Å
648	L	91.4	Very high	89.8	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.4	-39.6	174.6	-79.7	174	0	0	0	112.3	V644 G652 F681 T682 I703	V644-L648 HydrophobicContact CG1-CD1 4.15Å; V644-L648 HydrophobicContact CG1-CG 4.47Å; V644-L648 WeakPolarHBondContact O-CB 3.48Å; V644-L648 WeakPolarHBondContact O-CG 3.03Å; V644-L648 PolarHBondContact O-N 2.86Å; L648-G652 WeakPolarHBondContact O-CA 3.15Å; L648-G652 PolarHBondContact O-N 2.81Å; L648-F681 HydrophobicContact CD1-CD1 3.59Å; L648-F681 HydrophobicContact CD1-CE1 3.85Å; L648-T682 HydrophobicContact CD1-CG2 3.72Å; L648-I703 HydrophobicContact CD1-CG2 4.46Å; L648-I703 HydrophobicContact CD2-CB 3.96Å; L648-I703 HydrophobicContact CD2-CG2 3.59Å; L648-I703 HydrophobicContact CG-CG2 3.77Å
649	F	90.9	Very high	89.2	Confident	53 Å²	53	40.2 Å²	40.2	23%	0.232	19%	0.193	C	C	.	.	H	α-helix	trans	-62.2	-49.5	174.9	169.8	-114.7	0	0	0	111.6	S645 L646 R653 M675 S678	S645-F649 WeakPolarHBondContact O-CB 3.34Å; S645-F649 PolarHBondContact O-N 3.19Å; L646-F649 HydrophobicContact CD1-CD1 4.43Å; L646-F649 PolarHBondContact O-N 3.02Å; F649-R653 HydrophobicContact CE2-CB 4.49Å; F649-R653 WeakPolarHBondContact O-CB 3.28Å; F649-R653 PolarHBondContact O-N 3.37Å; F649-M675 HydrophobicContact CD2-CB 3.96Å; F649-M675 HydrophobicContact CE2-CB 3.97Å; F649-M675 HydrophobicContact CG-CB 4.28Å; F649-M675 HydrophobicContact CZ-CB 4.3Å; F649-S678 WeakPolarHBondContact CA-OG 3.1Å
650	L	89.5	Confident	88.4	Confident	90 Å²	90	37.1 Å²	37.1	47%	0.471	18%	0.175	S	C	.	.	H	α-helix	trans	-64.3	-49.5	-178.7	-68.9	174.2	0	0	0	111.6	L646 T647 V654	L646-L650 HydrophobicContact CD1-CD1 4.48Å; L646-L650 HydrophobicContact CD1-CG 4.47Å; L646-L650 HydrophobicContact CG-CD1 4.16Å; L646-L650 WeakPolarHBondContact O-CG 3.28Å; L646-L650 PolarHBondContact O-N 3.11Å; T647-L650 PolarHBondContact O-N 3.42Å; L650-V654 WeakPolarHBondContact O-CB 2.91Å; L650-V654 VanDerWaalsContact O-CG2 3.3Å; L650-V654 WeakPolarHBondContact O-CG2 3.41Å; L650-V654 PolarHBondContact O-N 3.23Å; L650-V654 VanDerWaalsContact O-N 3.11Å
651	I	89.6	Confident	87.4	Confident	4 Å²	4	38.9 Å²	38.9	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-69	-45.1	-178.9	-70.8	176.5	0	0	0	110.9	T647 R653 V654 S655 T700 I703 I910 W913	T647-I651 HydrophobicContact CG2-CD1 3.61Å; T647-I651 HydrophobicContact CG2-CG1 4.37Å; T647-I651 VanDerWaalsContact O-CB 3.31Å; T647-I651 WeakPolarHBondContact O-CB 3.45Å; T647-I651 WeakPolarHBondContact O-CG1 3.4Å; T647-I651 PolarHBondContact O-N 3.12Å; I651-R653 VanDerWaalsContact C-N 3.33Å; I651-R653 PolarHBondContact O-N 3.08Å; I651-V654 PolarHBondContact O-N 2.99Å; I651-S655 WeakPolarHBondContact O-CA 3.45Å; I651-S655 WeakPolarHBondContact O-CB 3.41Å; I651-S655 PolarHBondContact O-N 2.93Å; I651-T700 HydrophobicContact CG2-CG2 3.78Å; I651-I703 HydrophobicContact CD1-CD1 3.3Å; I651-I703 HydrophobicContact CG2-CD1 4.41Å; I651-I910 HydrophobicContact CD1-CG1 3.94Å; I651-W913 HydrophobicContact CB-CG 4.41Å; I651-W913 HydrophobicContact CD1-CB 4.29Å; I651-W913 HydrophobicContact CD1-CG 4.34Å; I651-W913 HydrophobicContact CG1-CB 4.4Å; I651-W913 HydrophobicContact CG1-CD2 3.96Å; I651-W913 HydrophobicContact CG1-CE3 4.48Å; I651-W913 HydrophobicContact CG1-CG 3.94Å; I651-W913 HydrophobicContact CG2-CB 4.16Å; I651-W913 HydrophobicContact CG2-CG 3.92Å
652	G	86.6	Confident	86.1	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.8	-35.3	178.9	0	0	0	0	0	112.7	L648 E658 N671	L648-G652 WeakPolarHBondContact O-CA 3.15Å; L648-G652 PolarHBondContact O-N 2.81Å; G652-E658 WeakPolarHBondContact O-CB 3.39Å; G652-N671 PolarHBondContact O-ND2 3.43Å
653	R	84.7	Confident	84.9	Confident	56 Å²	56	44.2 Å²	44.2	21%	0.211	21%	0.21	C	C	.	.	H	α-helix	trans	-74.9	-34.1	178.5	-175.1	60	-177	65.8	1.7	113	F649 I651 W659 T943	F649-R653 HydrophobicContact CE2-CB 4.49Å; F649-R653 WeakPolarHBondContact O-CB 3.28Å; F649-R653 PolarHBondContact O-N 3.37Å; I651-R653 VanDerWaalsContact C-N 3.33Å; I651-R653 PolarHBondContact O-N 3.08Å; R653-W659 PolarHBondContact O-NE1 3.15Å; R653-W659 VanDerWaalsContact O-NE1 3.1Å; R653-T943 PolarHBondContact NH2-OG1 3.02Å
654	V	82.9	Confident	83.8	Confident	42 Å²	42	47.2 Å²	47.2	26%	0.255	23%	0.231	S	C	.	.	H	α-helix	trans	-88.1	-35.7	-178.2	172.4	0	0	0	0	112.6	L650 I651 P656 W913 I917 F940	L650-V654 WeakPolarHBondContact O-CB 2.91Å; L650-V654 VanDerWaalsContact O-CG2 3.3Å; L650-V654 WeakPolarHBondContact O-CG2 3.41Å; L650-V654 PolarHBondContact O-N 3.23Å; L650-V654 VanDerWaalsContact O-N 3.11Å; I651-V654 PolarHBondContact O-N 2.99Å; V654-P656 WeakPolarHBondContact O-CD 3.49Å; V654-W913 HydrophobicContact CB-CZ2 3.89Å; V654-W913 HydrophobicContact CG1-CZ2 3.58Å; V654-W913 HydrophobicContact CG2-CZ2 4.37Å; V654-I917 HydrophobicContact CG1-CD1 3.78Å; V654-F940 HydrophobicContact CB-CE2 4.42Å; V654-F940 HydrophobicContact CB-CZ 4.33Å; V654-F940 HydrophobicContact CG1-CE2 4.1Å; V654-F940 HydrophobicContact CG1-CZ 3.72Å; V654-F940 HydrophobicContact CG2-CE2 4.49Å; V654-F940 HydrophobicContact CG2-CZ 4.21Å
655	S	85.1	Confident	82.8	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	C	.	.			trans	-63.5	119.8	-176.5	-175.7	0	0	0	0	110.2	I651 Y657 E658 A697 E916	I651-S655 WeakPolarHBondContact O-CA 3.45Å; I651-S655 WeakPolarHBondContact O-CB 3.41Å; I651-S655 PolarHBondContact O-N 2.93Å; S655-Y657 PolarHBondContact O-N 3.45Å; S655-E658 PolarHBondContact O-N 2.04Å; S655-A697 WeakPolarHBondContact OG-CB 3.41Å; S655-E916 PolarHBondContact OG-OE2 3.13Å
656	P	78	Confident	81.6	Confident	18 Å²	18	56.1 Å²	56.1	12%	0.117	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-65.9	-25.7	-176.5	25.8	-33.2	0	0	0	112	V654 E658 W659 W920	V654-P656 WeakPolarHBondContact O-CD 3.49Å; P656-E658 PolarHBondContact O-N 2.85Å; P656-W659 PolarHBondContact O-N 3.21Å; P656-W920 HydrophobicContact CB-CD2 3.94Å; P656-W920 HydrophobicContact CB-CG 3.93Å; P656-W920 HydrophobicContact CB-CZ2 4.31Å; P656-W920 HydrophobicContact CG-CB 3.81Å; P656-W920 HydrophobicContact CG-CD2 3.76Å; P656-W920 HydrophobicContact CG-CE3 4.46Å; P656-W920 HydrophobicContact CG-CG 3.42Å; P656-W920 VanDerWaalsContact CG-CG 3.42Å
657	Y	82.9	Confident	80.2	Confident	97 Å²	97	57.7 Å²	57.7	38%	0.38	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-73.3	-13.5	-178.9	-60.2	-68.2	0	0	0	113.9	S655 E916	S655-Y657 PolarHBondContact O-N 3.45Å; Y657-E916 HydrophobicContact CD2-CB 4.15Å; Y657-E916 HydrophobicContact CD2-CG 4.16Å; Y657-E916 HydrophobicContact CE2-CB 3.87Å; Y657-E916 HydrophobicContact CE2-CG 4.04Å
658	E	84.5	Confident	79.2	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-85.8	-15.7	177.2	-153.2	60.2	-125.7	0	0	112.5	G652 S655 P656 F673 R696 A697 T700	G652-E658 WeakPolarHBondContact O-CB 3.39Å; S655-E658 PolarHBondContact O-N 2.04Å; P656-E658 PolarHBondContact O-N 2.85Å; E658-F673 HydrophobicContact CG-CD2 3.61Å; E658-F673 HydrophobicContact CG-CE2 4.02Å; E658-F673 WeakPolarHBondContact OE1-CE2 3.48Å; E658-R696 PolarHBondContact OE1-N 3.18Å; E658-R696 PolarHBondContact OE2-N 2.93Å; E658-A697 WeakPolarHBondContact OE2-CB 3.4Å; E658-A697 PolarHBondContact OE2-N 3.03Å; E658-T700 PolarHBondContact OE2-OG1 3.44Å
659	W	81.2	Confident	78.3	Confident	56 Å²	56	66.7 Å²	66.7	21%	0.212	33%	0.327	C	S	.	.			trans	-85.4	114.4	177.4	-71.3	84.5	0	0	0	110.1	R653 P656 I669 N671	R653-W659 PolarHBondContact O-NE1 3.15Å; R653-W659 VanDerWaalsContact O-NE1 3.1Å; P656-W659 PolarHBondContact O-N 3.21Å; W659-I669 HydrophobicContact CB-CG2 3.6Å; W659-I669 HydrophobicContact CD2-CG2 4.47Å; W659-I669 HydrophobicContact CE3-CG2 3.88Å; W659-I669 HydrophobicContact CG-CG2 4.44Å; W659-N671 HydrophobicContact CD2-CB 3.86Å; W659-N671 VanDerWaalsContact CE2-ND2 3.26Å; W659-N671 HydrophobicContact CE3-CB 3.94Å; W659-N671 HydrophobicContact CH2-CB 3.82Å; W659-N671 HydrophobicContact CZ2-CB 3.71Å; W659-N671 HydrophobicContact CZ3-CB 3.94Å; W659-N671 PolarHBondContact NE1-ND2 3.36Å; W659-N671 VanDerWaalsContact NE1-ND2 3.14Å
660	Y	76.4	Confident	77.6	Confident	37 Å²	37	68 Å²	68	15%	0.145	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	153.5	-177.2	75.1	-86.9	0	0	0	113.6	R662 Q670 Q672	Y660-R662 HydrophobicContact CE2-CB 4.05Å; Y660-R662 HydrophobicContact CE2-CG 4.34Å; Y660-Q670 PolarHBondContact N-O 3.42Å; Y660-Q670 VanDerWaalsContact N-O 3.11Å; Y660-Q670 PolarHBondContact O-N 2.88Å; Y660-Q672 HydrophobicContact CE1-CG 4Å; Y660-Q672 PolarHBondContact OH-NE2 3.25Å
661	A	74	Confident	77.2	Confident	47 Å²	47	64.9 Å²	64.9	39%	0.388	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	115.6	170.2	0	0	0	0	0	109.9	H663 P667	A661-H663 VanDerWaalsContact C-N 3.29Å; A661-H663 PolarHBondContact O-N 3.36Å; A661-P667 HydrophobicContact CB-CB 4.24Å
662	R	66.8	Low	76.8	Confident	189 Å²	189	66.8 Å²	66.8	71%	0.713	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	-29.6	-178	-170.3	177.8	-173.5	-175.6	3	113.2	Y660	Y660-R662 HydrophobicContact CE2-CB 4.05Å; Y660-R662 HydrophobicContact CE2-CG 4.34Å
663	H	70.2	Confident	76.7	Confident	95 Å²	95	66.8 Å²	66.8	44%	0.44	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	132	-175.8	-160.3	-74.8	0	0	0	110.7	A661 C665 Y666	A661-H663 VanDerWaalsContact C-N 3.29Å; A661-H663 PolarHBondContact O-N 3.36Å; H663-C665 VanDerWaalsContact C-N 3.28Å; H663-C665 PolarHBondContact CE1-SG 3.23Å; H663-C665 WeakPolarHBondContact ND1-CB 3.2Å; H663-C665 PolarHBondContact ND1-N 2.74Å; H663-C665 VanDerWaalsContact ND1-N 3.13Å; H663-C665 PolarHBondContact O-N 2.94Å; H663-Y666 CarbonylContact O-C 3.57Å; H663-Y666 PolarHBondContact O-N 3.31Å; H663-Y666 VanDerWaalsContact O-O 3.09Å
664	P	71.1	Confident	76.8	Confident	123 Å²	123	67.2 Å²	67.2	80%	0.799	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-38.8	179.2	-22.8	31.7	0	0	0	113.1	Y666	P664-Y666 VanDerWaalsContact C-N 3.33Å; P664-Y666 PolarHBondContact O-N 2.99Å
665	C	73.6	Confident	76.9	Confident	58 Å²	58	69.8 Å²	69.8	39%	0.392	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-17.3	-177.6	-49.9	0	0	0	0	115	H663	H663-C665 VanDerWaalsContact C-N 3.28Å; H663-C665 PolarHBondContact CE1-SG 3.23Å; H663-C665 WeakPolarHBondContact ND1-CB 3.2Å; H663-C665 PolarHBondContact ND1-N 2.74Å; H663-C665 VanDerWaalsContact ND1-N 3.13Å; H663-C665 PolarHBondContact O-N 2.94Å
666	Y	68.6	Low	77.1	Confident	128 Å²	128	79.4 Å²	79.4	50%	0.502	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	91.6	178.1	-68.2	-77.1	0	0	0	108.8	H663 P664 K668	H663-Y666 CarbonylContact O-C 3.57Å; H663-Y666 PolarHBondContact O-N 3.31Å; H663-Y666 VanDerWaalsContact O-O 3.09Å; P664-Y666 VanDerWaalsContact C-N 3.33Å; P664-Y666 PolarHBondContact O-N 2.99Å; Y666-K668 PolarHBondContact O-N 3.43Å
667	P	64.8	Low	77.7	Confident	95 Å²	95	80.4 Å²	80.4	62%	0.617	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	48.2	-173.1	32.8	-36.6	0	0	0	112.5	A661 I669	A661-P667 HydrophobicContact CB-CB 4.24Å; P667-I669 PolarHBondContact O-N 3.06Å
668	K	69.3	Low	78.1	Confident	154 Å²	154	75.8 Å²	75.8	67%	0.67	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	108.5	169.7	-171.2	172.8	-176.6	176.9	0	108	Y666 Q670	Y666-K668 PolarHBondContact O-N 3.43Å; K668-Q670 HydrophobicContact CG-CG 4.38Å; K668-Q670 PolarHBondContact O-N 3.47Å
669	I	73.2	Confident	78.4	Confident	58 Å²	58	77.7 Å²	77.7	30%	0.297	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	123.6	177.8	-50.4	177.2	0	0	0	108.3	W659 P667 I936	W659-I669 HydrophobicContact CB-CG2 3.6Å; W659-I669 HydrophobicContact CD2-CG2 4.47Å; W659-I669 HydrophobicContact CE3-CG2 3.88Å; W659-I669 HydrophobicContact CG-CG2 4.44Å; P667-I669 PolarHBondContact O-N 3.06Å; I669-I936 HydrophobicContact CD1-CD1 3.91Å; I669-I936 HydrophobicContact CD1-CG1 3.85Å
670	Q	76	Confident	78.9	Confident	81 Å²	81	82.6 Å²	82.6	38%	0.379	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	150.2	-179.3	-65.9	178.4	5.2	0	0	109.7	Y660 K668	Y660-Q670 PolarHBondContact N-O 3.42Å; Y660-Q670 VanDerWaalsContact N-O 3.11Å; Y660-Q670 PolarHBondContact O-N 2.88Å; K668-Q670 HydrophobicContact CG-CG 4.38Å; K668-Q670 PolarHBondContact O-N 3.47Å
671	N	81.2	Confident	79.6	Confident	25 Å²	25	81 Å²	81	13%	0.134	39%	0.389	C	S	.	.			trans	-117.5	127.7	172.1	-170.6	-36.4	0	0	0	108.6	G652 W659 F673	G652-N671 PolarHBondContact O-ND2 3.43Å; W659-N671 HydrophobicContact CD2-CB 3.86Å; W659-N671 VanDerWaalsContact CE2-ND2 3.26Å; W659-N671 HydrophobicContact CE3-CB 3.94Å; W659-N671 HydrophobicContact CH2-CB 3.82Å; W659-N671 HydrophobicContact CZ2-CB 3.71Å; W659-N671 HydrophobicContact CZ3-CB 3.94Å; W659-N671 PolarHBondContact NE1-ND2 3.36Å; W659-N671 VanDerWaalsContact NE1-ND2 3.14Å; N671-F673 PolarHBondContact OD1-N 3.43Å
672	Q	82	Confident	80.5	Confident	43 Å²	43	78.7 Å²	78.7	20%	0.201	37%	0.37	C	S	.	.	S	Bend	trans	-78.3	-26.5	-179.8	-64.6	-172.4	-21.8	0	0	112.8	Y660 T674 N677 I693	Y660-Q672 HydrophobicContact CE1-CG 4Å; Y660-Q672 PolarHBondContact OH-NE2 3.25Å; Q672-T674 VanDerWaalsContact C-N 3.32Å; Q672-T674 PolarHBondContact O-N 2.9Å; Q672-N677 WeakPolarHBondContact O-CB 3.33Å; Q672-N677 PolarHBondContact O-ND2 3.01Å; Q672-I693 HydrophobicContact CB-CG2 4.08Å
673	F	84.9	Confident	81.6	Confident	1 Å²	1	70.7 Å²	70.7	0%	0.004	35%	0.345	C	S	.	.			trans	-84.2	68.5	-176.8	-71.8	-82.8	0	0	0	112.4	E658 N671 F681 I693 P695	E658-F673 HydrophobicContact CG-CD2 3.61Å; E658-F673 HydrophobicContact CG-CE2 4.02Å; E658-F673 WeakPolarHBondContact OE1-CE2 3.48Å; N671-F673 PolarHBondContact OD1-N 3.43Å; F673-F681 HydrophobicContact CE1-CG 4.39Å; F673-I693 HydrophobicContact CE1-CG2 4.02Å; F673-I693 HydrophobicContact CE2-CG2 4.15Å; F673-I693 HydrophobicContact CZ-CG2 3.8Å; F673-P695 HydrophobicContact CE2-CB 4.17Å; F673-P695 HydrophobicContact CZ-CB 3.94Å
674	T	85.8	Confident	82.6	Confident	65 Å²	65	66.6 Å²	66.6	40%	0.399	33%	0.328	S	S	.	.			trans	-69.9	161.4	157.9	65.3	0	0	0	0	109.8	Q672 R676 N677 S678	Q672-T674 VanDerWaalsContact C-N 3.32Å; Q672-T674 PolarHBondContact O-N 2.9Å; T674-R676 VanDerWaalsContact C-N 3.3Å; T674-R676 PolarHBondContact O-N 3.4Å; T674-N677 PolarHBondContact O-N 3.35Å; T674-N677 VanDerWaalsContact O-N 3.1Å; T674-N677 VanDerWaalsContact OG1-CB 3.3Å; T674-N677 WeakPolarHBondContact OG1-CB 3.38Å; T674-N677 PolarHBondContact OG1-N 3.29Å; T674-N677 PolarHBondContact OG1-ND2 3.35Å; T674-S678 PolarHBondContact O-N 3.41Å; T674-S678 PolarHBondContact O-OG 2.89Å
675	M	85.2	Confident	83.5	Confident	96 Å²	96	61.3 Å²	61.3	47%	0.473	29%	0.294	S	S	.	.	H	α-helix	trans	-54	-50	177.2	-172.5	179	-176.4	0	0	110.3	F649 N677 S678 F679	F649-M675 HydrophobicContact CD2-CB 3.96Å; F649-M675 HydrophobicContact CE2-CB 3.97Å; F649-M675 HydrophobicContact CG-CB 4.28Å; F649-M675 HydrophobicContact CZ-CB 4.3Å; M675-N677 VanDerWaalsContact C-N 3.32Å; M675-N677 PolarHBondContact O-N 3.42Å; M675-S678 PolarHBondContact O-N 3.26Å; M675-S678 VanDerWaalsContact O-N 3.1Å; M675-F679 HydrophobicContact CE-CE2 3.78Å; M675-F679 HydrophobicContact CE-CZ 4.4Å; M675-F679 HydrophobicContact CG-CD2 4.06Å; M675-F679 HydrophobicContact CG-CE2 3.95Å; M675-F679 VanDerWaalsContact O-CD2 3.32Å; M675-F679 WeakPolarHBondContact O-CD2 3.42Å; M675-F679 PolarHBondContact O-N 3.18Å; M675-F679 VanDerWaalsContact O-N 3.09Å
676	R	89.5	Confident	84.2	Confident	202 Å²	202	61.7 Å²	61.7	76%	0.762	29%	0.291	S	S	*	.	H	α-helix	trans	-56.3	-43.4	176.4	-168.4	-177.7	75.6	174.5	4.8	112.9	T674 S678 W680	T674-R676 VanDerWaalsContact C-N 3.3Å; T674-R676 PolarHBondContact O-N 3.4Å; R676-S678 VanDerWaalsContact C-N 3.34Å; R676-W680 WeakPolarHBondContact O-CB 3.34Å; R676-W680 PolarHBondContact O-N 2.69Å
677	N	89.6	Confident	85	Confident	39 Å²	39	61.3 Å²	61.3	21%	0.209	30%	0.296	C	S	.	.	H	α-helix	trans	-70.6	-30.7	179.8	-72.8	-3.3	0	0	0	112.6	Q672 T674 M675 W680 F681 I693	Q672-N677 WeakPolarHBondContact O-CB 3.33Å; Q672-N677 PolarHBondContact O-ND2 3.01Å; T674-N677 PolarHBondContact O-N 3.35Å; T674-N677 VanDerWaalsContact O-N 3.1Å; T674-N677 VanDerWaalsContact OG1-CB 3.3Å; T674-N677 WeakPolarHBondContact OG1-CB 3.38Å; T674-N677 PolarHBondContact OG1-N 3.29Å; T674-N677 PolarHBondContact OG1-ND2 3.35Å; M675-N677 VanDerWaalsContact C-N 3.32Å; M675-N677 PolarHBondContact O-N 3.42Å; N677-W680 PolarHBondContact O-N 3.47Å; N677-F681 WeakPolarHBondContact O-CB 3.41Å; N677-F681 PolarHBondContact O-N 3.05Å; N677-I693 HydrophobicContact CB-CD1 3.62Å; N677-I693 VanDerWaalsContact O-CD1 3.28Å; N677-I693 WeakPolarHBondContact O-CD1 2.99Å
678	S	91.5	Very high	86	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-68.9	-43.5	176.8	-51.8	0	0	0	0	110.9	S645 F649 T674 M675 R676 W680 F681 T682	S645-S678 WeakPolarHBondContact O-CB 3.38Å; F649-S678 WeakPolarHBondContact CA-OG 3.1Å; T674-S678 PolarHBondContact O-N 3.41Å; T674-S678 PolarHBondContact O-OG 2.89Å; M675-S678 PolarHBondContact O-N 3.26Å; M675-S678 VanDerWaalsContact O-N 3.1Å; R676-S678 VanDerWaalsContact C-N 3.34Å; S678-W680 VanDerWaalsContact C-N 3.34Å; S678-F681 PolarHBondContact O-N 3.44Å; S678-T682 PolarHBondContact O-N 3.43Å; S678-T682 PolarHBondContact O-OG1 3.47Å; S678-T682 VanDerWaalsContact O-OG1 3.11Å
679	F	92.2	Very high	86.8	Confident	39 Å²	39	61.3 Å²	61.3	17%	0.171	29%	0.29	C	S	.	.	H	α-helix	trans	-64.6	-37.6	170.7	-81.6	-92.6	0	0	0	112	Y641 F642 M675 T682 A683	Y641-F679 AromaticContact CE1-CD1 3.87Å; Y641-F679 HydrophobicContact CE1-CD1 3.87Å; Y641-F679 HydrophobicContact CE1-CE1 4.12Å; Y641-F679 HydrophobicContact CE2-CD1 4.5Å; Y641-F679 AromaticContact CZ-CD1 3.69Å; Y641-F679 WeakPolarHBondContact OH-CD1 3.36Å; F642-F679 AromaticContact CD2-CE1 3.87Å; F642-F679 HydrophobicContact CD2-CE1 3.87Å; F642-F679 AromaticContact CD2-CZ 3.79Å; F642-F679 HydrophobicContact CD2-CZ 3.79Å; F642-F679 HydrophobicContact CE2-CE1 4.29Å; F642-F679 AromaticContact CE2-CZ 3.82Å; F642-F679 HydrophobicContact CE2-CZ 3.82Å; M675-F679 HydrophobicContact CE-CE2 3.78Å; M675-F679 HydrophobicContact CE-CZ 4.4Å; M675-F679 HydrophobicContact CG-CD2 4.06Å; M675-F679 HydrophobicContact CG-CE2 3.95Å; M675-F679 VanDerWaalsContact O-CD2 3.32Å; M675-F679 WeakPolarHBondContact O-CD2 3.42Å; M675-F679 PolarHBondContact O-N 3.18Å; M675-F679 VanDerWaalsContact O-N 3.09Å; F679-T682 PolarHBondContact O-OG1 3.29Å; F679-A683 WeakPolarHBondContact O-CB 3.49Å; F679-A683 PolarHBondContact O-N 3.43Å
680	W	91.5	Very high	87.1	Confident	159 Å²	159	64.1 Å²	64.1	60%	0.602	32%	0.315	S	S	*	.	H	α-helix	trans	-66.2	-40.6	176	-174.9	-105.4	0	0	0	112.6	R676 N677 S678 A683 G684	R676-W680 WeakPolarHBondContact O-CB 3.34Å; R676-W680 PolarHBondContact O-N 2.69Å; N677-W680 PolarHBondContact O-N 3.47Å; S678-W680 VanDerWaalsContact C-N 3.34Å; W680-A683 PolarHBondContact O-N 2.95Å; W680-G684 PolarHBondContact O-N 3.4Å
681	F	91.2	Very high	87.4	Confident	3 Å²	3	61.5 Å²	61.5	1%	0.013	31%	0.305	C	S	.	.	H	α-helix	trans	-62	-47.4	177.4	176	-90.4	0	0	0	111.8	L648 F673 N677 S678 S685 S691 I693 P695 W708	L648-F681 HydrophobicContact CD1-CD1 3.59Å; L648-F681 HydrophobicContact CD1-CE1 3.85Å; F673-F681 HydrophobicContact CE1-CG 4.39Å; N677-F681 WeakPolarHBondContact O-CB 3.41Å; N677-F681 PolarHBondContact O-N 3.05Å; S678-F681 PolarHBondContact O-N 3.44Å; F681-S685 WeakPolarHBondContact O-CB 3.37Å; F681-S685 PolarHBondContact O-N 3.01Å; F681-S685 VanDerWaalsContact O-N 3.1Å; F681-S685 PolarHBondContact O-OG 3.3Å; F681-S691 WeakPolarHBondContact CD2-OG 3.32Å; F681-I693 HydrophobicContact CB-CD1 4.29Å; F681-I693 HydrophobicContact CD2-CB 4.21Å; F681-I693 HydrophobicContact CD2-CG2 4.29Å; F681-P695 HydrophobicContact CE2-CG 4.47Å; F681-P695 HydrophobicContact CZ-CG 4.39Å; F681-W708 HydrophobicContact CE2-CZ2 4.38Å; F681-W708 AromaticContact CZ-CZ2 3.97Å; F681-W708 HydrophobicContact CZ-CZ2 3.97Å
682	T	91.7	Very high	87.5	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-69	-39.4	178.9	50.8	0	0	0	0	111.9	Y641 V644 S645 L648 S678 F679 S685 L686 W707	Y641-T682 WeakPolarHBondContact CE2-OG1 3.49Å; V644-T682 HydrophobicContact CB-CG2 4.46Å; V644-T682 HydrophobicContact CG1-CG2 3.87Å; S645-T682 WeakPolarHBondContact OG-CB 3.37Å; S645-T682 WeakPolarHBondContact OG-CG2 3.4Å; S645-T682 PolarHBondContact OG-OG1 3Å; L648-T682 HydrophobicContact CD1-CG2 3.72Å; S678-T682 PolarHBondContact O-N 3.43Å; S678-T682 PolarHBondContact O-OG1 3.47Å; S678-T682 VanDerWaalsContact O-OG1 3.11Å; F679-T682 PolarHBondContact O-OG1 3.29Å; T682-S685 PolarHBondContact O-N 2.85Å; T682-L686 PolarHBondContact O-N 3.45Å; T682-L686 VanDerWaalsContact O-N 3.08Å; T682-W707 PolarHBondContact O-NE1 3.29Å
683	A	90.8	Very high	87.6	Confident	21 Å²	21	66.4 Å²	66.4	17%	0.174	33%	0.333	C	S	.	.	H	α-helix	trans	-66.5	-45.7	176.4	0	0	0	0	0	112.2	Y641 F679 W680 S685 L686 M687	Y641-A683 HydrophobicContact CE2-CB 4.01Å; F679-A683 WeakPolarHBondContact O-CB 3.49Å; F679-A683 PolarHBondContact O-N 3.43Å; W680-A683 PolarHBondContact O-N 2.95Å; A683-S685 VanDerWaalsContact C-N 3.3Å; A683-S685 PolarHBondContact O-N 3.02Å; A683-L686 WeakPolarHBondContact O-CB 3.17Å; A683-L686 PolarHBondContact O-N 3.47Å; A683-L686 VanDerWaalsContact O-N 3.17Å; A683-M687 WeakPolarHBondContact O-CG 3.33Å; A683-M687 PolarHBondContact O-N 2.76Å
684	G	90.9	Very high	87.6	Confident	8 Å²	8	70.6 Å²	70.6	8%	0.082	36%	0.358	C	S	.	.	H	α-helix	trans	-58.3	-44.2	175.7	0	0	0	0	0	111.6	W680 L686 M687 Q688 Q689	W680-G684 PolarHBondContact O-N 3.4Å; G684-L686 PolarHBondContact O-N 3.22Å; G684-M687 CarbonylContact O-C 3.48Å; G684-M687 PolarHBondContact O-N 3.17Å; G684-M687 VanDerWaalsContact O-N 3.14Å; G684-Q688 PolarHBondContact O-N 3.42Å; G684-Q689 CarbonylContact C-O 3.34Å; G684-Q689 PolarHBondContact O-N 3.29Å
685	S	89.6	Confident	87.7	Confident	13 Å²	13	68 Å²	68	9%	0.091	34%	0.343	C	S	.	.	H	α-helix	trans	-59.4	-43.3	175.3	-59.8	0	0	0	0	112.5	F681 T682 A683 M687 Q688 W708	F681-S685 WeakPolarHBondContact O-CB 3.37Å; F681-S685 PolarHBondContact O-N 3.01Å; F681-S685 VanDerWaalsContact O-N 3.1Å; F681-S685 PolarHBondContact O-OG 3.3Å; T682-S685 PolarHBondContact O-N 2.85Å; A683-S685 VanDerWaalsContact C-N 3.3Å; A683-S685 PolarHBondContact O-N 3.02Å; S685-M687 VanDerWaalsContact C-N 3.31Å; S685-M687 PolarHBondContact O-N 3.07Å; S685-Q688 PolarHBondContact O-N 3.26Å; S685-W708 PolarHBondContact OG-NE1 2.85Å
686	L	88.3	Confident	87.7	Confident	65 Å²	65	69 Å²	69	34%	0.34	34%	0.341	S	S	.	.	H	α-helix	trans	-62.4	-37.5	176	175.1	65	0	0	0	112.2	T682 A683 G684 Q688 I711	T682-L686 PolarHBondContact O-N 3.45Å; T682-L686 VanDerWaalsContact O-N 3.08Å; A683-L686 WeakPolarHBondContact O-CB 3.17Å; A683-L686 PolarHBondContact O-N 3.47Å; A683-L686 VanDerWaalsContact O-N 3.17Å; G684-L686 PolarHBondContact O-N 3.22Å; L686-Q688 PolarHBondContact O-N 3.17Å; L686-I711 HydrophobicContact CB-CD1 4.2Å; L686-I711 HydrophobicContact CD1-CD1 3.5Å; L686-I711 HydrophobicContact CG-CD1 4.43Å
687	M	86.9	Confident	87.6	Confident	120 Å²	120	59.5 Å²	59.5	59%	0.591	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	3.2	175.4	-65.7	178	70.1	0	0	113.3	A683 G684 S685 Q689	A683-M687 WeakPolarHBondContact O-CG 3.33Å; A683-M687 PolarHBondContact O-N 2.76Å; G684-M687 CarbonylContact O-C 3.48Å; G684-M687 PolarHBondContact O-N 3.17Å; G684-M687 VanDerWaalsContact O-N 3.14Å; S685-M687 VanDerWaalsContact C-N 3.31Å; S685-M687 PolarHBondContact O-N 3.07Å; M687-Q689 HydrophobicContact CB-CB 4.39Å; M687-Q689 HydrophobicContact CB-CG 4.14Å; M687-Q689 PolarHBondContact O-N 3.02Å
688	Q	84.4	Confident	87.6	Confident	135 Å²	135	61.6 Å²	61.6	63%	0.631	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	27.8	-171.4	-57.7	-175.6	-15.7	0	0	112.7	G684 S685 L686	G684-Q688 PolarHBondContact O-N 3.42Å; S685-Q688 PolarHBondContact O-N 3.26Å; L686-Q688 PolarHBondContact O-N 3.17Å
689	Q	86.1	Confident	87.6	Confident	115 Å²	115	61.6 Å²	61.6	54%	0.537	32%	0.32	S	S	.	.			trans	-105.2	139.1	176.9	-67.8	-177.4	7.1	0	0	109.5	G684 M687	G684-Q689 CarbonylContact C-O 3.34Å; G684-Q689 PolarHBondContact O-N 3.29Å; M687-Q689 HydrophobicContact CB-CB 4.39Å; M687-Q689 HydrophobicContact CB-CG 4.14Å; M687-Q689 PolarHBondContact O-N 3.02Å
690	S	79.4	Confident	87.6	Confident	117 Å²	117	59.8 Å²	59.8	82%	0.818	31%	0.312	S	S	*	.			trans	-69.2	139.4	173.7	54.7	0	0	0	0	110.6
691	S	82.6	Confident	87.6	Confident	25 Å²	25	59 Å²	59	18%	0.175	31%	0.309	C	S	.	.			trans	-99.2	147.9	168.4	65.3	0	0	0	0	111.1	F681 I693	F681-S691 WeakPolarHBondContact CD2-OG 3.32Å; S691-I693 PolarHBondContact O-N 3.33Å; S691-I693 VanDerWaalsContact O-N 3.12Å; S691-I693 PolarHBondContact OG-O 2.77Å
692	D	83	Confident	87.7	Confident	154 Å²	154	61.8 Å²	61.8	82%	0.824	32%	0.323	S	S	*	.	S	Bend	trans	-70	-3.4	173.1	-59.8	-31.8	0	0	0	113.9
693	I	84.3	Confident	87.8	Confident	17 Å²	17	61.8 Å²	61.8	9%	0.087	32%	0.323	C	S	.	.			trans	-89.3	125.6	179	-59.4	155.7	0	0	0	108.3	Q672 F673 N677 F681 S691	Q672-I693 HydrophobicContact CB-CG2 4.08Å; F673-I693 HydrophobicContact CE1-CG2 4.02Å; F673-I693 HydrophobicContact CE2-CG2 4.15Å; F673-I693 HydrophobicContact CZ-CG2 3.8Å; N677-I693 HydrophobicContact CB-CD1 3.62Å; N677-I693 VanDerWaalsContact O-CD1 3.28Å; N677-I693 WeakPolarHBondContact O-CD1 2.99Å; F681-I693 HydrophobicContact CB-CD1 4.29Å; F681-I693 HydrophobicContact CD2-CB 4.21Å; F681-I693 HydrophobicContact CD2-CG2 4.29Å; S691-I693 PolarHBondContact O-N 3.33Å; S691-I693 VanDerWaalsContact O-N 3.12Å; S691-I693 PolarHBondContact OG-O 2.77Å
694	V	85.3	Confident	87.8	Confident	90 Å²	90	60.8 Å²	60.8	55%	0.545	32%	0.315	S	S	.	.			trans	-120.8	111.4	-175.7	-176.8	0	0	0	0	109.3	R696	V694-R696 PolarHBondContact O-N 3.4Å
695	P	88.6	Confident	87.9	Confident	11 Å²	11	61.9 Å²	61.9	7%	0.071	33%	0.326	C	S	.	.			trans	-63.7	129.7	177.3	23.7	-31	0	0	0	112	F673 F681 T700 R701	F673-P695 HydrophobicContact CE2-CB 4.17Å; F673-P695 HydrophobicContact CZ-CB 3.94Å; F681-P695 HydrophobicContact CE2-CG 4.47Å; F681-P695 HydrophobicContact CZ-CG 4.39Å; P695-T700 WeakPolarHBondContact CB-OG1 3.41Å; P695-R701 HydrophobicContact CB-CG 4.14Å; P695-R701 HydrophobicContact CG-CG 4.24Å; P695-R701 WeakPolarHBondContact O-CG 3.35Å; P695-R701 PolarHBondContact O-NE 2.73Å
696	R	83.9	Confident	88	Confident	117 Å²	117	63.3 Å²	63.3	44%	0.442	33%	0.332	S	S	.	.			trans	-101.2	-40.6	-178.2	-63.3	-175.2	67.5	139.1	2.8	113.1	E658 V694 R701	E658-R696 PolarHBondContact OE1-N 3.18Å; E658-R696 PolarHBondContact OE2-N 2.93Å; V694-R696 PolarHBondContact O-N 3.4Å; R696-R701 PolarHBondContact O-NE 3.5Å
697	A	88.2	Confident	88.3	Confident	2 Å²	2	60.2 Å²	60.2	2%	0.017	32%	0.316	C	S	.	.	S	Bend	trans	-66.9	151.6	179.2	0	0	0	0	0	111.4	S655 E658 S699 T700 R701	S655-A697 WeakPolarHBondContact OG-CB 3.41Å; E658-A697 WeakPolarHBondContact OE2-CB 3.4Å; E658-A697 PolarHBondContact OE2-N 3.03Å; A697-S699 VanDerWaalsContact C-N 3.31Å; A697-S699 PolarHBondContact O-N 3.14Å; A697-T700 HydrophobicContact CB-CG2 4.3Å; A697-T700 PolarHBondContact N-OG1 2.73Å; A697-T700 PolarHBondContact O-N 3.49Å; A697-T700 PolarHBondContact O-OG1 2.73Å; A697-R701 WeakPolarHBondContact O-CB 3.33Å; A697-R701 WeakPolarHBondContact O-CG 3.48Å; A697-R701 PolarHBondContact O-N 3.23Å
698	T	89.3	Confident	88.6	Confident	83 Å²	83	61.1 Å²	61.1	51%	0.509	31%	0.313	S	S	.	.	H	α-helix	trans	-67.4	-39.6	179.2	-47.2	0	0	0	0	109.8	R701 I702 V912 E916	T698-R701 PolarHBondContact O-N 2.78Å; T698-I702 HydrophobicContact CG2-CD1 4.16Å; T698-I702 WeakPolarHBondContact O-CG1 3.23Å; T698-I702 PolarHBondContact O-N 3.38Å; T698-V912 HydrophobicContact CG2-CG1 4.33Å; T698-E916 WeakPolarHBondContact CA-OE1 3.49Å; T698-E916 WeakPolarHBondContact CB-OE1 2.99Å; T698-E916 PolarHBondContact N-OE1 2.96Å; T698-E916 PolarHBondContact OG1-OE1 3.08Å
699	S	91.7	Very high	89	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-57.4	-49.5	174.4	53.3	0	0	0	0	113.4	A697 R701 I702 I703 E916	A697-S699 VanDerWaalsContact C-N 3.31Å; A697-S699 PolarHBondContact O-N 3.14Å; S699-R701 VanDerWaalsContact C-N 3.34Å; S699-R701 PolarHBondContact O-N 3.42Å; S699-I702 PolarHBondContact O-N 2.95Å; S699-I703 WeakPolarHBondContact O-CG1 3.28Å; S699-I703 PolarHBondContact O-N 3.4Å; S699-I703 VanDerWaalsContact O-N 3.14Å; S699-E916 WeakPolarHBondContact CB-OE2 3.29Å; S699-E916 PolarHBondContact N-OE1 3.21Å; S699-E916 PolarHBondContact OG-OE2 3.03Å
700	T	91.5	Very high	89.4	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-67.2	-34.4	178.7	55.7	0	0	0	0	112.1	I651 E658 P695 A697 I703 G704	I651-T700 HydrophobicContact CG2-CG2 3.78Å; E658-T700 PolarHBondContact OE2-OG1 3.44Å; P695-T700 WeakPolarHBondContact CB-OG1 3.41Å; A697-T700 HydrophobicContact CB-CG2 4.3Å; A697-T700 PolarHBondContact N-OG1 2.73Å; A697-T700 PolarHBondContact O-N 3.49Å; A697-T700 PolarHBondContact O-OG1 2.73Å; T700-I703 PolarHBondContact O-N 3.45Å; T700-G704 PolarHBondContact O-N 3.21Å
701	R	92.5	Very high	90	Very high	142 Å²	142	50.4 Å²	50.4	54%	0.536	25%	0.249	S	C	.	.	H	α-helix	trans	-65.8	-41.4	173.9	-74	172	178.4	-172.8	1.4	113.1	P695 R696 A697 T698 S699 I703 G704 G705	P695-R701 HydrophobicContact CB-CG 4.14Å; P695-R701 HydrophobicContact CG-CG 4.24Å; P695-R701 WeakPolarHBondContact O-CG 3.35Å; P695-R701 PolarHBondContact O-NE 2.73Å; R696-R701 PolarHBondContact O-NE 3.5Å; A697-R701 WeakPolarHBondContact O-CB 3.33Å; A697-R701 WeakPolarHBondContact O-CG 3.48Å; A697-R701 PolarHBondContact O-N 3.23Å; T698-R701 PolarHBondContact O-N 2.78Å; S699-R701 VanDerWaalsContact C-N 3.34Å; S699-R701 PolarHBondContact O-N 3.42Å; R701-I703 VanDerWaalsContact C-N 3.35Å; R701-G704 PolarHBondContact O-N 2.85Å; R701-G705 PolarHBondContact O-N 3.49Å
702	I	92.4	Very high	90.5	Very high	62 Å²	62	53.9 Å²	53.9	32%	0.318	26%	0.264	S	S	.	.	H	α-helix	trans	-63.3	-44.7	176.4	-70.1	167.5	0	0	0	110	T698 S699 G705 I706 V912	T698-I702 HydrophobicContact CG2-CD1 4.16Å; T698-I702 WeakPolarHBondContact O-CG1 3.23Å; T698-I702 PolarHBondContact O-N 3.38Å; S699-I702 PolarHBondContact O-N 2.95Å; I702-G705 PolarHBondContact O-N 3.48Å; I702-I706 PolarHBondContact O-N 2.89Å; I702-V912 HydrophobicContact CD1-CB 4.2Å; I702-V912 HydrophobicContact CD1-CG1 4.19Å; I702-V912 HydrophobicContact CD1-CG2 3.77Å
703	I	93.4	Very high	90.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.8	-43	178.7	-65.7	163.7	0	0	0	111.3	V644 T647 L648 I651 S699 T700 R701 G705 I706 W707 L906	V644-I703 HydrophobicContact CG1-CG2 4.24Å; T647-I703 HydrophobicContact CG2-CD1 4.03Å; L648-I703 HydrophobicContact CD1-CG2 4.46Å; L648-I703 HydrophobicContact CD2-CB 3.96Å; L648-I703 HydrophobicContact CD2-CG2 3.59Å; L648-I703 HydrophobicContact CG-CG2 3.77Å; I651-I703 HydrophobicContact CD1-CD1 3.3Å; I651-I703 HydrophobicContact CG2-CD1 4.41Å; S699-I703 WeakPolarHBondContact O-CG1 3.28Å; S699-I703 PolarHBondContact O-N 3.4Å; S699-I703 VanDerWaalsContact O-N 3.14Å; T700-I703 PolarHBondContact O-N 3.45Å; R701-I703 VanDerWaalsContact C-N 3.35Å; I703-G705 VanDerWaalsContact C-N 3.33Å; I703-G705 PolarHBondContact O-N 2.77Å; I703-I706 WeakPolarHBondContact O-CG2 3.4Å; I703-W707 VanDerWaalsContact O-CB 3.28Å; I703-W707 WeakPolarHBondContact O-CB 3.4Å; I703-W707 PolarHBondContact O-N 2.96Å; I703-L906 HydrophobicContact CG1-CD2 4.31Å; I703-L906 HydrophobicContact CG2-CD2 3.77Å
704	G	91.7	Very high	91.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.1	-43.4	173	0	0	0	0	0	112.1	T700 R701 W707 W708	T700-G704 PolarHBondContact O-N 3.21Å; R701-G704 PolarHBondContact O-N 2.85Å; G704-W707 PolarHBondContact O-N 3.33Å; G704-W708 PolarHBondContact O-N 2.69Å
705	G	92.1	Very high	91.3	Very high	31 Å²	31	45.2 Å²	45.2	32%	0.32	22%	0.218	S	C	.	.	H	α-helix	trans	-63.6	-46.1	178.5	0	0	0	0	0	113.5	R701 I702 I703 W707 W708 F709	R701-G705 PolarHBondContact O-N 3.49Å; I702-G705 PolarHBondContact O-N 3.48Å; I703-G705 VanDerWaalsContact C-N 3.33Å; I703-G705 PolarHBondContact O-N 2.77Å; G705-W707 VanDerWaalsContact C-N 3.33Å; G705-W708 PolarHBondContact O-N 3.44Å; G705-F709 PolarHBondContact O-N 2.99Å
706	I	93.4	Very high	91.4	Very high	43 Å²	43	47.5 Å²	47.5	22%	0.221	23%	0.234	C	C	.	.	H	α-helix	trans	-67.5	-36.2	176.6	-160.3	78.1	0	0	0	111.4	I702 I703 F709 F710 L902	I702-I706 PolarHBondContact O-N 2.89Å; I703-I706 WeakPolarHBondContact O-CG2 3.4Å; I706-F709 PolarHBondContact O-N 3.14Å; I706-F710 WeakPolarHBondContact O-CB 3.14Å; I706-F710 PolarHBondContact O-N 2.64Å; I706-L902 HydrophobicContact CG2-CD1 4.18Å
707	W	94.3	Very high	91.6	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-62.3	-44.6	174.8	179.8	-115.9	0	0	0	111.5	A640 Y641 V644 T682 I703 G704 G705 F709 F710 I711 L902	A640-W707 HydrophobicContact CB-CZ3 4.36Å; Y641-W707 HydrophobicContact CD2-CZ2 4.42Å; V644-W707 HydrophobicContact CB-CD2 4.4Å; V644-W707 HydrophobicContact CB-CE3 4.06Å; V644-W707 HydrophobicContact CB-CZ3 4.3Å; V644-W707 HydrophobicContact CG1-CB 4.16Å; V644-W707 HydrophobicContact CG1-CD2 3.91Å; V644-W707 HydrophobicContact CG1-CE3 4Å; V644-W707 HydrophobicContact CG1-CG 4Å; V644-W707 HydrophobicContact CG2-CD2 4.4Å; V644-W707 HydrophobicContact CG2-CE3 3.64Å; V644-W707 HydrophobicContact CG2-CZ3 3.86Å; T682-W707 PolarHBondContact O-NE1 3.29Å; I703-W707 VanDerWaalsContact O-CB 3.28Å; I703-W707 WeakPolarHBondContact O-CB 3.4Å; I703-W707 PolarHBondContact O-N 2.96Å; G704-W707 PolarHBondContact O-N 3.33Å; G705-W707 VanDerWaalsContact C-N 3.33Å; W707-F709 VanDerWaalsContact C-N 3.34Å; W707-F709 PolarHBondContact O-N 3.09Å; W707-F710 AromaticContact CE3-CD1 3.8Å; W707-F710 HydrophobicContact CE3-CD1 3.8Å; W707-F710 HydrophobicContact CE3-CE1 4.49Å; W707-F710 HydrophobicContact CH2-CD1 4.26Å; W707-F710 HydrophobicContact CH2-CE1 4.28Å; W707-F710 AromaticContact CZ3-CD1 3.51Å; W707-F710 HydrophobicContact CZ3-CD1 3.51Å; W707-F710 AromaticContact CZ3-CE1 3.76Å; W707-F710 HydrophobicContact CZ3-CE1 3.76Å; W707-F710 PolarHBondContact O-N 3.19Å; W707-I711 HydrophobicContact CD2-CD1 4.47Å; W707-I711 HydrophobicContact CD2-CG1 4.09Å; W707-I711 HydrophobicContact CH2-CD1 3.78Å; W707-I711 HydrophobicContact CH2-CG1 4.43Å; W707-I711 HydrophobicContact CZ2-CD1 3.58Å; W707-I711 HydrophobicContact CZ2-CG1 3.91Å; W707-I711 HydrophobicContact CZ3-CD1 4.29Å; W707-I711 WeakPolarHBondContact O-CG1 3.36Å; W707-I711 PolarHBondContact O-N 3.39Å; W707-L902 HydrophobicContact CE3-CD1 4.2Å; W707-L902 HydrophobicContact CE3-CD2 4.5Å; W707-L902 HydrophobicContact CZ3-CD2 4.3Å
708	W	93.1	Very high	91.6	Very high	138 Å²	138	45.8 Å²	45.8	52%	0.523	23%	0.233	S	C	.	.	H	α-helix	trans	-60.5	-42.8	175	-67.5	-24.6	0	0	0	112.5	F681 S685 G704 G705 I711 L712	F681-W708 HydrophobicContact CE2-CZ2 4.38Å; F681-W708 AromaticContact CZ-CZ2 3.97Å; F681-W708 HydrophobicContact CZ-CZ2 3.97Å; S685-W708 PolarHBondContact OG-NE1 2.85Å; G704-W708 PolarHBondContact O-N 2.69Å; G705-W708 PolarHBondContact O-N 3.44Å; W708-I711 PolarHBondContact O-N 3.12Å; W708-L712 WeakPolarHBondContact O-CB 3.49Å; W708-L712 PolarHBondContact O-N 2.79Å
709	F	92.2	Very high	91.4	Very high	133 Å²	133	45.4 Å²	45.4	58%	0.583	23%	0.231	S	C	*	.	H	α-helix	trans	-62.9	-44.2	175.8	-174.7	-102.2	0	0	0	111.8	G705 I706 W707 L712 V713	G705-F709 PolarHBondContact O-N 2.99Å; I706-F709 PolarHBondContact O-N 3.14Å; W707-F709 VanDerWaalsContact C-N 3.34Å; W707-F709 PolarHBondContact O-N 3.09Å; F709-L712 PolarHBondContact O-N 3.41Å; F709-V713 HydrophobicContact CD1-CG2 4.36Å; F709-V713 HydrophobicContact CE1-CG2 3.96Å; F709-V713 HydrophobicContact CE2-CG2 4.49Å; F709-V713 HydrophobicContact CZ-CG2 4.03Å; F709-V713 WeakPolarHBondContact O-CG2 3.43Å; F709-V713 PolarHBondContact O-N 2.97Å
710	F	94.3	Very high	91.1	Very high	5 Å²	5	48.4 Å²	48.4	2%	0.022	26%	0.255	C	S	.	.	H	α-helix	trans	-59.9	-47.8	176.6	174.5	-100.4	0	0	0	112.1	V637 A640 I706 W707 L712 V713 I714 A898 F899 L902	V637-F710 HydrophobicContact CG2-CZ 4.49Å; A640-F710 HydrophobicContact CB-CE1 4.32Å; A640-F710 HydrophobicContact CB-CZ 4.36Å; I706-F710 WeakPolarHBondContact O-CB 3.14Å; I706-F710 PolarHBondContact O-N 2.64Å; W707-F710 AromaticContact CE3-CD1 3.8Å; W707-F710 HydrophobicContact CE3-CD1 3.8Å; W707-F710 HydrophobicContact CE3-CE1 4.49Å; W707-F710 HydrophobicContact CH2-CD1 4.26Å; W707-F710 HydrophobicContact CH2-CE1 4.28Å; W707-F710 AromaticContact CZ3-CD1 3.51Å; W707-F710 HydrophobicContact CZ3-CD1 3.51Å; W707-F710 AromaticContact CZ3-CE1 3.76Å; W707-F710 HydrophobicContact CZ3-CE1 3.76Å; W707-F710 PolarHBondContact O-N 3.19Å; F710-L712 PolarHBondContact O-N 3.34Å; F710-V713 PolarHBondContact O-N 3.3Å; F710-I714 HydrophobicContact CD1-CG1 4.41Å; F710-I714 HydrophobicContact CD2-CG1 4.35Å; F710-I714 HydrophobicContact CE1-CG1 3.98Å; F710-I714 HydrophobicContact CE2-CD1 4.21Å; F710-I714 HydrophobicContact CE2-CG1 3.91Å; F710-I714 HydrophobicContact CZ-CD1 4.14Å; F710-I714 HydrophobicContact CZ-CG1 3.71Å; F710-I714 WeakPolarHBondContact O-CG1 3.44Å; F710-I714 PolarHBondContact O-N 3.25Å; F710-A898 HydrophobicContact CD2-CB 4.28Å; F710-A898 HydrophobicContact CE2-CB 4.25Å; F710-F899 AromaticContact CE2-CD1 3.91Å; F710-F899 HydrophobicContact CE2-CD1 3.91Å; F710-F899 AromaticContact CE2-CE1 3.99Å; F710-F899 HydrophobicContact CE2-CE1 3.99Å; F710-F899 HydrophobicContact CE2-CG 4.29Å; F710-F899 HydrophobicContact CE2-CZ 4.43Å; F710-F899 AromaticContact CZ-CD1 3.98Å; F710-F899 HydrophobicContact CZ-CD1 3.98Å; F710-F899 AromaticContact CZ-CE1 3.65Å; F710-F899 HydrophobicContact CZ-CE1 3.65Å; F710-F899 HydrophobicContact CZ-CZ 4.14Å; F710-L902 HydrophobicContact CB-CD1 4.29Å; F710-L902 HydrophobicContact CD1-CD2 4.2Å; F710-L902 HydrophobicContact CD2-CB 4.02Å; F710-L902 HydrophobicContact CD2-CD2 4.2Å; F710-L902 HydrophobicContact CE1-CD2 4.28Å; F710-L902 HydrophobicContact CE2-CD2 4.28Å; F710-L902 HydrophobicContact CG-CB 4.38Å; F710-L902 HydrophobicContact CG-CD1 4.43Å; F710-L902 HydrophobicContact CG-CD2 4.17Å; F710-L902 HydrophobicContact CZ-CD2 4.32Å
711	I	93.3	Very high	90.5	Very high	5 Å²	5	50 Å²	50	3%	0.026	26%	0.264	C	S	.	.	H	α-helix	trans	-61.8	-43	177	-69.1	-49.6	0	0	0	111.4	L686 W707 W708 V713 I714 T715	L686-I711 HydrophobicContact CB-CD1 4.2Å; L686-I711 HydrophobicContact CD1-CD1 3.5Å; L686-I711 HydrophobicContact CG-CD1 4.43Å; W707-I711 HydrophobicContact CD2-CD1 4.47Å; W707-I711 HydrophobicContact CD2-CG1 4.09Å; W707-I711 HydrophobicContact CH2-CD1 3.78Å; W707-I711 HydrophobicContact CH2-CG1 4.43Å; W707-I711 HydrophobicContact CZ2-CD1 3.58Å; W707-I711 HydrophobicContact CZ2-CG1 3.91Å; W707-I711 HydrophobicContact CZ3-CD1 4.29Å; W707-I711 WeakPolarHBondContact O-CG1 3.36Å; W707-I711 PolarHBondContact O-N 3.39Å; W708-I711 PolarHBondContact O-N 3.12Å; I711-V713 VanDerWaalsContact C-N 3.34Å; I711-V713 PolarHBondContact O-N 3.13Å; I711-I714 PolarHBondContact O-N 2.87Å; I711-T715 WeakPolarHBondContact O-CB 3.46Å; I711-T715 PolarHBondContact O-N 3.03Å; I711-T715 PolarHBondContact O-OG1 2.65Å; I711-T715 VanDerWaalsContact O-OG1 3.12Å
712	L	91.3	Very high	89.9	Confident	97 Å²	97	45.4 Å²	45.4	51%	0.508	25%	0.25	S	C	.	.	H	α-helix	trans	-56.3	-49.9	176.6	-174.7	160.4	0	0	0	110.6	W708 F709 F710 I714 T715 S716	W708-L712 WeakPolarHBondContact O-CB 3.49Å; W708-L712 PolarHBondContact O-N 2.79Å; F709-L712 PolarHBondContact O-N 3.41Å; F710-L712 PolarHBondContact O-N 3.34Å; L712-I714 PolarHBondContact O-N 3.32Å; L712-T715 PolarHBondContact O-N 2.75Å; L712-S716 VanDerWaalsContact O-CB 3.24Å; L712-S716 WeakPolarHBondContact O-CB 3.44Å; L712-S716 PolarHBondContact O-N 3Å; L712-S716 PolarHBondContact O-OG 3.48Å; L712-S716 VanDerWaalsContact O-OG 3.06Å
713	V	91.1	Very high	89.1	Confident	42 Å²	42	44.9 Å²	44.9	26%	0.255	26%	0.255	S	S	.	.	H	α-helix	trans	-60.6	-45.4	179.1	173.2	0	0	0	0	111.5	F709 F710 I711 S717 A898	F709-V713 HydrophobicContact CD1-CG2 4.36Å; F709-V713 HydrophobicContact CE1-CG2 3.96Å; F709-V713 HydrophobicContact CE2-CG2 4.49Å; F709-V713 HydrophobicContact CZ-CG2 4.03Å; F709-V713 WeakPolarHBondContact O-CG2 3.43Å; F709-V713 PolarHBondContact O-N 2.97Å; F710-V713 PolarHBondContact O-N 3.3Å; I711-V713 VanDerWaalsContact C-N 3.34Å; I711-V713 PolarHBondContact O-N 3.13Å; V713-S717 VanDerWaalsContact O-CB 3.23Å; V713-S717 WeakPolarHBondContact O-CB 3.3Å; V713-S717 PolarHBondContact O-N 3.37Å; V713-S717 PolarHBondContact O-OG 2.98Å; V713-A898 HydrophobicContact CG1-CB 4.07Å
714	I	90.8	Very high	88.1	Confident	9 Å²	9	46.5 Å²	46.5	5%	0.046	27%	0.268	C	S	.	.	H	α-helix	trans	-65.7	-49	-179.8	-69	-64	0	0	0	111.3	V637 F710 I711 L712 S717 Y718 M895	V637-I714 HydrophobicContact CG2-CD1 4.44Å; V637-I714 HydrophobicContact CG2-CG2 4.39Å; F710-I714 HydrophobicContact CD1-CG1 4.41Å; F710-I714 HydrophobicContact CD2-CG1 4.35Å; F710-I714 HydrophobicContact CE1-CG1 3.98Å; F710-I714 HydrophobicContact CE2-CD1 4.21Å; F710-I714 HydrophobicContact CE2-CG1 3.91Å; F710-I714 HydrophobicContact CZ-CD1 4.14Å; F710-I714 HydrophobicContact CZ-CG1 3.71Å; F710-I714 WeakPolarHBondContact O-CG1 3.44Å; F710-I714 PolarHBondContact O-N 3.25Å; I711-I714 PolarHBondContact O-N 2.87Å; L712-I714 PolarHBondContact O-N 3.32Å; I714-S717 PolarHBondContact O-N 3.12Å; I714-Y718 VanDerWaalsContact O-CB 3.3Å; I714-Y718 WeakPolarHBondContact O-CB 3.46Å; I714-Y718 PolarHBondContact O-N 2.84Å; I714-M895 HydrophobicContact CD1-SD 4.11Å
715	T	89.3	Confident	86.8	Confident	29 Å²	29	48.2 Å²	48.2	18%	0.178	28%	0.276	C	S	.	.	H	α-helix	trans	-67.4	-42.2	-178.5	-53.7	0	0	0	0	111.3	I711 L712 S717 Y718 T719	I711-T715 WeakPolarHBondContact O-CB 3.46Å; I711-T715 PolarHBondContact O-N 3.03Å; I711-T715 PolarHBondContact O-OG1 2.65Å; I711-T715 VanDerWaalsContact O-OG1 3.12Å; L712-T715 PolarHBondContact O-N 2.75Å; T715-S717 VanDerWaalsContact C-N 3.35Å; T715-S717 PolarHBondContact O-N 3.32Å; T715-Y718 WeakPolarHBondContact O-CB 3.42Å; T715-Y718 PolarHBondContact O-N 3.49Å; T715-T719 HydrophobicContact CG2-CG2 4.38Å; T715-T719 WeakPolarHBondContact O-CG2 3.17Å; T715-T719 PolarHBondContact O-N 3.02Å; T715-T719 PolarHBondContact O-OG1 3.45Å; T715-T719 VanDerWaalsContact O-OG1 3.11Å
716	S	89.2	Confident	85.6	Confident	58 Å²	58	53 Å²	53	41%	0.406	29%	0.293	S	S	.	.	H	α-helix	trans	-60.7	-44.7	175.2	-67.8	0	0	0	0	111.7	L712 Y718 T719 A720	L712-S716 VanDerWaalsContact O-CB 3.24Å; L712-S716 WeakPolarHBondContact O-CB 3.44Å; L712-S716 PolarHBondContact O-N 3Å; L712-S716 PolarHBondContact O-OG 3.48Å; L712-S716 VanDerWaalsContact O-OG 3.06Å; S716-Y718 PolarHBondContact O-N 3.48Å; S716-T719 WeakPolarHBondContact CA-OG1 3.47Å; S716-T719 PolarHBondContact O-N 2.84Å; S716-T719 PolarHBondContact O-OG1 3.14Å; S716-A720 WeakPolarHBondContact O-CB 3.14Å; S716-A720 PolarHBondContact O-N 2.99Å
717	S	88.1	Confident	84.3	Confident	35 Å²	35	56.3 Å²	56.3	25%	0.245	32%	0.315	C	S	.	.	H	α-helix	trans	-67.6	-37	178.2	-57.6	0	0	0	0	112.5	V713 I714 T715 N721 M895	V713-S717 VanDerWaalsContact O-CB 3.23Å; V713-S717 WeakPolarHBondContact O-CB 3.3Å; V713-S717 PolarHBondContact O-N 3.37Å; V713-S717 PolarHBondContact O-OG 2.98Å; I714-S717 PolarHBondContact O-N 3.12Å; T715-S717 VanDerWaalsContact C-N 3.35Å; T715-S717 PolarHBondContact O-N 3.32Å; S717-N721 VanDerWaalsContact O-CB 3.25Å; S717-N721 WeakPolarHBondContact O-CB 3.44Å; S717-N721 PolarHBondContact O-N 2.88Å; S717-M895 WeakPolarHBondContact OG-CE 3.32Å
718	Y	88.4	Confident	82.6	Confident	48 Å²	48	60.3 Å²	60.3	19%	0.188	34%	0.336	C	S	.	.	H	α-helix	trans	-60.3	-49.6	171.6	172.8	-98.6	0	0	0	110.8	F625 P628 L629 W634 I714 T715 S716 A720 N721 L722	F625-Y718 VanDerWaalsContact O-CE2 3.26Å; F625-Y718 WeakPolarHBondContact O-CE2 3.44Å; F625-Y718 PolarHBondContact O-OH 2.83Å; P628-Y718 HydrophobicContact CB-CD2 4.01Å; P628-Y718 HydrophobicContact CB-CE2 4.15Å; P628-Y718 HydrophobicContact CG-CD2 4.03Å; P628-Y718 HydrophobicContact CG-CE2 3.68Å; L629-Y718 HydrophobicContact CD1-CD2 4.09Å; L629-Y718 HydrophobicContact CG-CD2 4.18Å; W634-Y718 HydrophobicContact CZ2-CE2 4.22Å; I714-Y718 VanDerWaalsContact O-CB 3.3Å; I714-Y718 WeakPolarHBondContact O-CB 3.46Å; I714-Y718 PolarHBondContact O-N 2.84Å; T715-Y718 WeakPolarHBondContact O-CB 3.42Å; T715-Y718 PolarHBondContact O-N 3.49Å; S716-Y718 PolarHBondContact O-N 3.48Å; Y718-A720 PolarHBondContact O-N 2.9Å; Y718-N721 PolarHBondContact O-N 3.24Å; Y718-L722 HydrophobicContact CE1-CD2 4.08Å; Y718-L722 WeakPolarHBondContact O-CB 3.45Å; Y718-L722 PolarHBondContact O-N 2.79Å
719	T	86.6	Confident	80.6	Confident	76 Å²	76	58.8 Å²	58.8	47%	0.466	34%	0.338	S	S	.	.	H	α-helix	trans	-63.7	-41.4	179.8	53.9	0	0	0	0	112.5	T715 S716 L722 A723	T715-T719 HydrophobicContact CG2-CG2 4.38Å; T715-T719 WeakPolarHBondContact O-CG2 3.17Å; T715-T719 PolarHBondContact O-N 3.02Å; T715-T719 PolarHBondContact O-OG1 3.45Å; T715-T719 VanDerWaalsContact O-OG1 3.11Å; S716-T719 WeakPolarHBondContact CA-OG1 3.47Å; S716-T719 PolarHBondContact O-N 2.84Å; S716-T719 PolarHBondContact O-OG1 3.14Å; T719-L722 PolarHBondContact O-N 2.86Å; T719-A723 WeakPolarHBondContact O-CB 3.36Å; T719-A723 PolarHBondContact O-N 2.9Å
720	A	84.7	Confident	78.5	Confident	63 Å²	63	60.9 Å²	60.9	52%	0.521	34%	0.342	S	S	.	.	H	α-helix	trans	-66.4	-44.5	177.8	0	0	0	0	0	111.5	S716 Y718 A723 A724	S716-A720 WeakPolarHBondContact O-CB 3.14Å; S716-A720 PolarHBondContact O-N 2.99Å; Y718-A720 PolarHBondContact O-N 2.9Å; A720-A723 PolarHBondContact O-N 3.22Å; A720-A724 WeakPolarHBondContact O-CB 3.3Å; A720-A724 PolarHBondContact O-N 2.83Å
721	N	79.4	Confident	76.5	Confident	33 Å²	33	68.5 Å²	68.5	18%	0.176	38%	0.38	C	S	.	.	H	α-helix	trans	-74.1	-29	-179.8	-156.9	38.7	0	0	0	112.1	P628 S717 Y718 F725 L890	P628-N721 HydrophobicContact CB-CB 4.06Å; P628-N721 PolarHBondContact O-ND2 2.99Å; S717-N721 VanDerWaalsContact O-CB 3.25Å; S717-N721 WeakPolarHBondContact O-CB 3.44Å; S717-N721 PolarHBondContact O-N 2.88Å; Y718-N721 PolarHBondContact O-N 3.24Å; N721-F725 WeakPolarHBondContact O-CB 3.36Å; N721-F725 PolarHBondContact O-N 2.81Å; N721-L890 HydrophobicContact CB-CD1 3.51Å
722	L	79	Confident	74.1	Confident	45 Å²	45	73.2 Å²	73.2	24%	0.236	40%	0.402	C	S	.	.	H	α-helix	trans	-67.1	-44.4	170.4	-176.3	64.2	0	0	0	111.3	P628 Y718 T719 F725 L726	P628-L722 HydrophobicContact CG-CB 3.8Å; P628-L722 HydrophobicContact CG-CD1 3.7Å; P628-L722 HydrophobicContact CG-CG 4.33Å; Y718-L722 HydrophobicContact CE1-CD2 4.08Å; Y718-L722 WeakPolarHBondContact O-CB 3.45Å; Y718-L722 PolarHBondContact O-N 2.79Å; T719-L722 PolarHBondContact O-N 2.86Å; L722-F725 WeakPolarHBondContact O-CB 3.28Å; L722-F725 PolarHBondContact O-N 2.9Å; L722-L726 WeakPolarHBondContact O-CG 3.25Å; L722-L726 PolarHBondContact O-N 3.27Å
723	A	75.9	Confident	72.2	Confident	52 Å²	52	70.5 Å²	70.5	43%	0.43	39%	0.393	S	S	.	.	H	α-helix	trans	-61.3	-48.8	175.5	0	0	0	0	0	111.1	T719 A720 F725 L726 T727	T719-A723 WeakPolarHBondContact O-CB 3.36Å; T719-A723 PolarHBondContact O-N 2.9Å; A720-A723 PolarHBondContact O-N 3.22Å; A723-F725 VanDerWaalsContact C-N 3.27Å; A723-F725 PolarHBondContact O-N 3.08Å; A723-L726 PolarHBondContact O-N 3.47Å; A723-L726 VanDerWaalsContact O-N 3.14Å; A723-T727 WeakPolarHBondContact O-CG2 3.25Å; A723-T727 PolarHBondContact O-N 3.2Å; A723-T727 VanDerWaalsContact O-N 3.09Å; A723-T727 PolarHBondContact O-OG1 2.9Å
724	A	71.3	Confident	70.4	Confident	34 Å²	34	75.7 Å²	75.7	28%	0.281	42%	0.42	S	S	.	.	H	α-helix	trans	-56.6	-43.2	173.8	0	0	0	0	0	111.5	A720 L726 T727 I728	A720-A724 WeakPolarHBondContact O-CB 3.3Å; A720-A724 PolarHBondContact O-N 2.83Å; A724-L726 VanDerWaalsContact C-N 3.33Å; A724-L726 PolarHBondContact O-N 3.01Å; A724-T727 WeakPolarHBondContact CA-OG1 3.28Å; A724-T727 PolarHBondContact O-N 3.43Å; A724-T727 VanDerWaalsContact O-N 3.12Å; A724-T727 PolarHBondContact O-OG1 3.14Å; A724-I728 HydrophobicContact CB-CD1 4.5Å; A724-I728 WeakPolarHBondContact O-CB 3.3Å; A724-I728 WeakPolarHBondContact O-CG1 3.45Å; A724-I728 PolarHBondContact O-N 2.75Å
725	F	65.5	Low	68.9	Low	35 Å²	35	75.7 Å²	75.7	15%	0.154	42%	0.42	C	S	.	.	H	α-helix	trans	-61.9	-34.8	177.8	-178.5	-99.9	0	0	0	113.4	A627 N721 L722 A723 L884 R887	A627-F725 HydrophobicContact CB-CD1 4.27Å; A627-F725 HydrophobicContact CB-CE1 4.06Å; A627-F725 HydrophobicContact CB-CE2 4.47Å; A627-F725 HydrophobicContact CB-CZ 4.22Å; N721-F725 WeakPolarHBondContact O-CB 3.36Å; N721-F725 PolarHBondContact O-N 2.81Å; L722-F725 WeakPolarHBondContact O-CB 3.28Å; L722-F725 PolarHBondContact O-N 2.9Å; A723-F725 VanDerWaalsContact C-N 3.27Å; A723-F725 PolarHBondContact O-N 3.08Å; F725-L884 HydrophobicContact CZ-CD2 4.36Å; F725-R887 HydrophobicContact CD2-CB 4.28Å; F725-R887 HydrophobicContact CD2-CG 3.72Å; F725-R887 HydrophobicContact CE2-CB 3.77Å; F725-R887 HydrophobicContact CE2-CG 3.46Å; F725-R887 VanDerWaalsContact CE2-CG 3.46Å; F725-R887 HydrophobicContact CZ-CG 4.43Å
726	L	66	Low	67.7	Low	132 Å²	132	80.2 Å²	80.2	69%	0.691	44%	0.439	S	S	*	.	H	α-helix	trans	-77.7	-23.8	175.4	-68.8	173.2	0	0	0	112.9	L722 A723 A724	L722-L726 WeakPolarHBondContact O-CG 3.25Å; L722-L726 PolarHBondContact O-N 3.27Å; A723-L726 PolarHBondContact O-N 3.47Å; A723-L726 VanDerWaalsContact O-N 3.14Å; A724-L726 VanDerWaalsContact C-N 3.33Å; A724-L726 PolarHBondContact O-N 3.01Å
727	T	66.9	Low	66.9	Low	112 Å²	112	79.3 Å²	79.3	69%	0.687	43%	0.433	S	S	*	.	H	α-helix	trans	-92.9	-21.8	-178.4	56.6	0	0	0	0	114.8	A723 A724	A723-T727 WeakPolarHBondContact O-CG2 3.25Å; A723-T727 PolarHBondContact O-N 3.2Å; A723-T727 VanDerWaalsContact O-N 3.09Å; A723-T727 PolarHBondContact O-OG1 2.9Å; A724-T727 WeakPolarHBondContact CA-OG1 3.28Å; A724-T727 PolarHBondContact O-N 3.43Å; A724-T727 VanDerWaalsContact O-N 3.12Å; A724-T727 PolarHBondContact O-OG1 3.14Å
728	I	57.5	Low	66.5	Low	85 Å²	85	78 Å²	78	44%	0.436	42%	0.423	S	S	.	.			trans	-113.6	112.1	-171	-60.2	172.3	0	0	0	110.7	A724 R730	A724-I728 HydrophobicContact CB-CD1 4.5Å; A724-I728 WeakPolarHBondContact O-CB 3.3Å; A724-I728 WeakPolarHBondContact O-CG1 3.45Å; A724-I728 PolarHBondContact O-N 2.75Å; I728-R730 HydrophobicContact CG2-CB 4.24Å; I728-R730 HydrophobicContact CG2-CG 3.84Å
729	D	52.7	Low	66.1	Low	106 Å²	106	78 Å²	78	57%	0.567	43%	0.425	S	S	*	.			trans	-96.2	103.5	166.5	-92.4	-12.6	0	0	0	110	P885	D729-P885 VanDerWaalsContact CA-CG 3.44Å; D729-P885 HydrophobicContact CB-CG 3.62Å; D729-P885 WeakPolarHBondContact OD1-CD 3.15Å
730	R	47.7	Very low	65.8	Low	178 Å²	178	77 Å²	77	67%	0.672	42%	0.416	S	S	*	.			trans	-146.5	114.9	175.1	-80	-168	168	-170.4	-2.7	118.5	I728 P885 S886	I728-R730 HydrophobicContact CG2-CB 4.24Å; I728-R730 HydrophobicContact CG2-CG 3.84Å; R730-P885 PolarHBondContact N-O 3.29Å; R730-P885 CarbonylContact O-C 3.51Å; R730-P885 WeakPolarHBondContact O-CA 3.48Å; R730-P885 WeakPolarHBondContact O-CB 3.39Å; R730-P885 VanDerWaalsContact O-O 3.11Å; R730-S886 WeakPolarHBondContact CB-OG 3.49Å; R730-S886 WeakPolarHBondContact O-CA 3.42Å; R730-S886 WeakPolarHBondContact O-CB 3.47Å; R730-S886 PolarHBondContact O-N 2.95Å; R730-S886 PolarHBondContact O-OG 3.04Å
731	M	51.1	Low	65.8	Low	165 Å²	165	74 Å²	74	81%	0.813	39%	0.392	S	S	*	.			trans	-61.6	140.8	-154.6	-67.4	168.6	-121.6	0	0	116.3	P885	M731-P885 HydrophobicContact CB-CB 4.01Å; M731-P885 HydrophobicContact CG-CB 3.55Å
732	Q	43	Very low	66.1	Low	104 Å²	104	72.8 Å²	72.8	49%	0.486	39%	0.386	S	S	.	.			trans	-126.7	116.7	159	-103	165	-3.1	0	0	108.1	S886	Q732-S886 VanDerWaalsContact N-N 3.14Å
733	A	51.2	Low	66.3	Low	39 Å²	39	78.9 Å²	78.9	32%	0.322	41%	0.406	S	S	.	.			trans	-88.1	150.1	159.5	0	0	0	0	0	107.7	I735 L821	A733-I735 VanDerWaalsContact CB-O 3.28Å; A733-I735 WeakPolarHBondContact CB-O 3.49Å; A733-I735 PolarHBondContact O-N 3.22Å; A733-L821 HydrophobicContact CB-CD1 4.02Å
734	D	53.9	Low	66.7	Low	152 Å²	152	78.4 Å²	78.4	81%	0.813	40%	0.395	S	S	*	.	S	Bend	trans	-58.9	-15.8	175.7	-69.1	-31.9	0	0	0	112.8
735	I	59.5	Low	67.2	Low	9 Å²	9	82.1 Å²	82.1	5%	0.046	41%	0.414	C	S	.	.			trans	-125.7	121.4	176.1	-60.3	-178.3	0	0	0	106	A733 S737 D740 L741 Q744 I747 L821	A733-I735 VanDerWaalsContact CB-O 3.28Å; A733-I735 WeakPolarHBondContact CB-O 3.49Å; A733-I735 PolarHBondContact O-N 3.22Å; I735-S737 VanDerWaalsContact CG2-O 3.27Å; I735-S737 WeakPolarHBondContact CG2-O 3.43Å; I735-D740 HydrophobicContact CG2-CB 3.87Å; I735-L741 HydrophobicContact CD1-CD1 3.6Å; I735-L741 HydrophobicContact CG2-CB 3.95Å; I735-Q744 HydrophobicContact CD1-CG 4.21Å; I735-I747 HydrophobicContact CD1-CB 4.32Å; I735-I747 HydrophobicContact CD1-CD1 3.45Å; I735-I747 VanDerWaalsContact CD1-CD1 3.45Å; I735-I747 HydrophobicContact CD1-CG1 4.37Å; I735-I747 HydrophobicContact CG1-CD1 4.33Å; I735-L821 HydrophobicContact CB-CD1 3.94Å; I735-L821 HydrophobicContact CB-CD2 4.42Å; I735-L821 HydrophobicContact CG2-CD1 4.12Å; I735-L821 HydrophobicContact CG2-CD2 3.72Å; I735-L821 WeakPolarHBondContact O-CD1 3.42Å; I735-L821 WeakPolarHBondContact O-CG 3.24Å
736	E	64.9	Low	68	Low	123 Å²	123	89.4 Å²	89.4	58%	0.575	45%	0.446	S	S	*	.			trans	-100	-28.7	179.2	-65.9	-175.3	174.5	0	0	111.2	D740	E736-D740 PolarHBondContact N-OD2 2.88Å
737	S	71.8	Confident	68.9	Low	40 Å²	40	85 Å²	85	28%	0.28	42%	0.422	S	S	.	.	S	Bend	trans	-132.3	161.6	-174.4	71.5	0	0	0	0	112.6	I735 E739 D740 L741	I735-S737 VanDerWaalsContact CG2-O 3.27Å; I735-S737 WeakPolarHBondContact CG2-O 3.43Å; S737-E739 PolarHBondContact O-N 2.94Å; S737-E739 PolarHBondContact OG-N 3.4Å; S737-D740 PolarHBondContact N-OD2 3.05Å; S737-D740 WeakPolarHBondContact O-CB 3.28Å; S737-D740 PolarHBondContact O-N 3.46Å; S737-D740 VanDerWaalsContact O-N 3.16Å; S737-D740 PolarHBondContact OG-N 2.65Å; S737-D740 VanDerWaalsContact OG-N 3.11Å; S737-D740 PolarHBondContact OG-OD2 3.33Å; S737-L741 PolarHBondContact O-N 2.89Å; S737-L741 VanDerWaalsContact O-N 3.16Å
738	V	78.7	Confident	70.1	Confident	8 Å²	8	85.3 Å²	85.3	5%	0.048	42%	0.415	C	S	.	.	H	α-helix	trans	-65.7	-24.9	171.6	173.8	0	0	0	0	111.9	V612 L741 A742 Y769 M772 L825	V612-V738 HydrophobicContact CG2-CG2 3.61Å; V738-L741 WeakPolarHBondContact O-CB 3.15Å; V738-L741 PolarHBondContact O-N 3.22Å; V738-A742 WeakPolarHBondContact O-CB 2.94Å; V738-A742 PolarHBondContact O-N 2.88Å; V738-Y769 HydrophobicContact CG1-CE1 4.36Å; V738-M772 HydrophobicContact CG1-CE 3.59Å; V738-M772 HydrophobicContact CG1-SD 3.28Å; V738-M772 WeakPolarHBondContact CG1-SD 3.37Å; V738-L825 HydrophobicContact CB-CD1 3.64Å; V738-L825 HydrophobicContact CG1-CD1 4.04Å; V738-L825 HydrophobicContact CG2-CD1 3.27Å
739	E	80.3	Confident	71.8	Confident	48 Å²	48	81.5 Å²	81.5	22%	0.224	40%	0.395	C	S	.	.	H	α-helix	trans	-65.4	-41.3	171.4	179.7	62.6	-157.9	0	0	111.4	S737 L741 A742 R743 T768	S737-E739 PolarHBondContact O-N 2.94Å; S737-E739 PolarHBondContact OG-N 3.4Å; E739-L741 VanDerWaalsContact C-N 3.33Å; E739-L741 PolarHBondContact O-N 3.24Å; E739-A742 PolarHBondContact O-N 2.9Å; E739-R743 WeakPolarHBondContact O-CG 3.4Å; E739-R743 PolarHBondContact O-N 3.19Å; E739-R743 IonicContact OE1-CZ 3.38Å; E739-R743 IonicContact OE1-NE 2.83Å; E739-R743 PolarHBondContact OE1-NE 3.47Å; E739-R743 IonicContact OE1-NH2 3.07Å; E739-R743 PolarHBondContact OE1-NH2 2.91Å; E739-T768 VanDerWaalsContact OE2-CB 3.29Å; E739-T768 WeakPolarHBondContact OE2-CB 3.45Å; E739-T768 WeakPolarHBondContact OE2-CG2 3.22Å; E739-T768 PolarHBondContact OE2-OG1 2.94Å
740	D	81.1	Confident	73.8	Confident	54 Å²	54	76.4 Å²	76.4	29%	0.289	37%	0.368	S	S	.	.	H	α-helix	trans	-63.5	-42.8	175	-57.3	-41.5	0	0	0	110.6	I735 E736 S737 A742 R743 Q744	I735-D740 HydrophobicContact CG2-CB 3.87Å; E736-D740 PolarHBondContact N-OD2 2.88Å; S737-D740 PolarHBondContact N-OD2 3.05Å; S737-D740 WeakPolarHBondContact O-CB 3.28Å; S737-D740 PolarHBondContact O-N 3.46Å; S737-D740 VanDerWaalsContact O-N 3.16Å; S737-D740 PolarHBondContact OG-N 2.65Å; S737-D740 VanDerWaalsContact OG-N 3.11Å; S737-D740 PolarHBondContact OG-OD2 3.33Å; D740-A742 VanDerWaalsContact C-N 3.27Å; D740-A742 PolarHBondContact O-N 2.82Å; D740-R743 PolarHBondContact O-N 3.25Å; D740-Q744 VanDerWaalsContact O-CG 3.22Å; D740-Q744 WeakPolarHBondContact O-CG 3.18Å; D740-Q744 PolarHBondContact O-N 2.59Å
741	L	83.8	Confident	76	Confident	1 Å²	1	68 Å²	68	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-60	-38	175.8	-171.9	70.1	0	0	0	111.6	V612 I735 S737 V738 E739 Q744 I747 Y749 M772 A800	V612-L741 HydrophobicContact CG1-CD2 4.07Å; V612-L741 HydrophobicContact CG2-CD2 4.15Å; I735-L741 HydrophobicContact CD1-CD1 3.6Å; I735-L741 HydrophobicContact CG2-CB 3.95Å; S737-L741 PolarHBondContact O-N 2.89Å; S737-L741 VanDerWaalsContact O-N 3.16Å; V738-L741 WeakPolarHBondContact O-CB 3.15Å; V738-L741 PolarHBondContact O-N 3.22Å; E739-L741 VanDerWaalsContact C-N 3.33Å; E739-L741 PolarHBondContact O-N 3.24Å; L741-Q744 PolarHBondContact O-NE2 3.29Å; L741-I747 HydrophobicContact CD1-CB 4.32Å; L741-I747 HydrophobicContact CD1-CG2 4.01Å; L741-Y749 HydrophobicContact CD1-CD1 3.98Å; L741-Y749 HydrophobicContact CD2-CD1 4Å; L741-Y749 HydrophobicContact CD2-CG 3.98Å; L741-Y749 HydrophobicContact CG-CD1 3.61Å; L741-Y749 HydrophobicContact CG-CE1 4.14Å; L741-Y749 HydrophobicContact CG-CG 4.13Å; L741-Y749 WeakPolarHBondContact O-CE1 3.49Å; L741-M772 HydrophobicContact CD2-CE 4.31Å; L741-A800 HydrophobicContact CD1-CB 4.17Å; L741-A800 HydrophobicContact CD2-CB 4.36Å
742	A	85.4	Confident	77.9	Confident	7 Å²	7	62.1 Å²	62.1	6%	0.058	31%	0.307	C	S	.	.	H	α-helix	trans	-75.3	-25.1	179.2	0	0	0	0	0	114	V738 E739 D740 T768 R771 M772	V738-A742 WeakPolarHBondContact O-CB 2.94Å; V738-A742 PolarHBondContact O-N 2.88Å; E739-A742 PolarHBondContact O-N 2.9Å; D740-A742 VanDerWaalsContact C-N 3.27Å; D740-A742 PolarHBondContact O-N 2.82Å; A742-T768 HydrophobicContact CB-CG2 4.02Å; A742-R771 WeakPolarHBondContact O-CD 3.13Å; A742-M772 HydrophobicContact CB-CG 3.62Å; A742-M772 HydrophobicContact CB-SD 4.15Å
743	R	84.9	Confident	80	Confident	172 Å²	172	62 Å²	62	65%	0.649	31%	0.307	S	S	*	.	H	α-helix	trans	-81	-27.2	178.4	-74.7	174.3	-174.4	-174.6	3.3	113.2	E739 D740	E739-R743 WeakPolarHBondContact O-CG 3.4Å; E739-R743 PolarHBondContact O-N 3.19Å; E739-R743 IonicContact OE1-CZ 3.38Å; E739-R743 IonicContact OE1-NE 2.83Å; E739-R743 PolarHBondContact OE1-NE 3.47Å; E739-R743 IonicContact OE1-NH2 3.07Å; E739-R743 PolarHBondContact OE1-NH2 2.91Å; D740-R743 PolarHBondContact O-N 3.25Å
744	Q	84	Confident	81.5	Confident	43 Å²	43	61.4 Å²	61.4	20%	0.201	30%	0.304	C	S	.	.			trans	-98.9	157.7	-178.7	68.6	75.7	41.2	0	0	111.6	I735 D740 L741 I747	I735-Q744 HydrophobicContact CD1-CG 4.21Å; D740-Q744 VanDerWaalsContact O-CG 3.22Å; D740-Q744 WeakPolarHBondContact O-CG 3.18Å; D740-Q744 PolarHBondContact O-N 2.59Å; L741-Q744 PolarHBondContact O-NE2 3.29Å; Q744-I747 PolarHBondContact NE2-O 3.38Å
745	T	81.5	Confident	83.1	Confident	112 Å²	112	55.1 Å²	55.1	69%	0.687	28%	0.276	S	S	*	.	S	Bend	trans	-121.6	-1	178.9	55.4	0	0	0	0	113.9
746	K	82.3	Confident	84.5	Confident	187 Å²	187	55.4 Å²	55.4	81%	0.813	28%	0.278	S	S	*	.	S	Bend	trans	-71.6	-46.4	-177.4	-176	-178.6	178.1	-173.8	0	112
747	I	85.7	Confident	85.7	Confident	39 Å²	39	50 Å²	50	20%	0.2	25%	0.254	C	S	.	.	S	Bend	trans	-92.3	112.6	174.4	-64.5	170	0	0	0	107	I735 L741 Q744 A800	I735-I747 HydrophobicContact CD1-CB 4.32Å; I735-I747 HydrophobicContact CD1-CD1 3.45Å; I735-I747 VanDerWaalsContact CD1-CD1 3.45Å; I735-I747 HydrophobicContact CD1-CG1 4.37Å; I735-I747 HydrophobicContact CG1-CD1 4.33Å; L741-I747 HydrophobicContact CD1-CB 4.32Å; L741-I747 HydrophobicContact CD1-CG2 4.01Å; Q744-I747 PolarHBondContact NE2-O 3.38Å; I747-A800 HydrophobicContact CG2-CB 3.8Å
748	K	92	Very high	86.7	Confident	120 Å²	120	50 Å²	50	52%	0.522	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	149.7	174.8	-61.3	177.8	-176.6	178.3	0	108.5	L782 G798 Y799 A800	K748-L782 HydrophobicContact CB-CD2 3.76Å; K748-L782 HydrophobicContact CD-CD2 4.02Å; K748-L782 HydrophobicContact CG-CD2 4.38Å; K748-G798 PolarHBondContact N-O 3.47Å; K748-Y799 HydrophobicContact CB-CD2 4.28Å; K748-Y799 CarbonylContact O-C 3.18Å; K748-Y799 VanDerWaalsContact O-CA 3.26Å; K748-Y799 WeakPolarHBondContact O-CA 3.45Å; K748-A800 PolarHBondContact O-N 2.79Å
749	Y	93.1	Very high	87.2	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.016	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	150.8	178.9	51.8	-94.8	0	0	0	112	L741 M772 F775 M776 L782 A800 I802	L741-Y749 HydrophobicContact CD1-CD1 3.98Å; L741-Y749 HydrophobicContact CD2-CD1 4Å; L741-Y749 HydrophobicContact CD2-CG 3.98Å; L741-Y749 HydrophobicContact CG-CD1 3.61Å; L741-Y749 HydrophobicContact CG-CE1 4.14Å; L741-Y749 HydrophobicContact CG-CG 4.13Å; L741-Y749 WeakPolarHBondContact O-CE1 3.49Å; Y749-M772 HydrophobicContact CD2-CE 3.89Å; Y749-M772 HydrophobicContact CE2-CB 3.74Å; Y749-M772 HydrophobicContact CE2-CE 3.8Å; Y749-M772 HydrophobicContact CE2-CG 3.89Å; Y749-M772 WeakPolarHBondContact OH-CA 3.4Å; Y749-F775 HydrophobicContact CD1-CD1 4.35Å; Y749-F775 HydrophobicContact CD1-CE1 4.16Å; Y749-F775 HydrophobicContact CD2-CD1 4.16Å; Y749-F775 AromaticContact CE1-CD1 3.81Å; Y749-F775 HydrophobicContact CE1-CD1 3.81Å; Y749-F775 AromaticContact CE1-CE1 3.91Å; Y749-F775 HydrophobicContact CE1-CE1 3.91Å; Y749-F775 HydrophobicContact CE1-CG 4.48Å; Y749-F775 HydrophobicContact CE2-CB 4.42Å; Y749-F775 AromaticContact CE2-CD1 3.57Å; Y749-F775 HydrophobicContact CE2-CD1 3.57Å; Y749-F775 HydrophobicContact CE2-CE1 4.28Å; Y749-F775 HydrophobicContact CE2-CG 4.34Å; Y749-F775 HydrophobicContact CG-CE1 4.47Å; Y749-F775 AromaticContact CZ-CD1 3.38Å; Y749-F775 AromaticContact CZ-CE1 3.97Å; Y749-F775 AromaticContact CZ-CG 3.91Å; Y749-F775 WeakPolarHBondContact OH-CB 3.3Å; Y749-M776 HydrophobicContact CD2-CG 3.88Å; Y749-M776 HydrophobicContact CD2-SD 4.05Å; Y749-M776 HydrophobicContact CE2-CG 3.95Å; Y749-M776 HydrophobicContact CE2-SD 4.43Å; Y749-M776 WeakPolarHBondContact O-CG 3.3Å; Y749-L782 WeakPolarHBondContact O-CD1 3.46Å; Y749-A800 WeakPolarHBondContact CA-O 3.33Å; Y749-A800 WeakPolarHBondContact CB-O 3.43Å; Y749-I802 HydrophobicContact CD2-CD1 4.24Å
750	G	93.7	Very high	87.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	178.4	-177.5	0	0	0	0	0	112.7	L782 Y799 A800 I802	G750-L782 WeakPolarHBondContact CA-O 3.49Å; G750-Y799 VanDerWaalsContact CA-OH 3.26Å; G750-Y799 WeakPolarHBondContact CA-OH 3.27Å; G750-A800 PolarHBondContact N-O 3.35Å; G750-A800 VanDerWaalsContact N-O 3.08Å; G750-I802 PolarHBondContact O-N 3.37Å
751	T	93.7	Very high	88.3	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.006	24%	0.243	C	C	.	.			trans	-143.1	170.6	-178.9	177.4	0	0	0	0	109.9	H753 T757 M776 F783 V784 I802	T751-H753 PolarHBondContact O-N 3.38Å; T751-T757 HydrophobicContact CG2-CG2 4.41Å; T751-T757 VanDerWaalsContact OG1-CB 3.23Å; T751-T757 WeakPolarHBondContact OG1-CB 3.26Å; T751-T757 WeakPolarHBondContact OG1-CG2 3.09Å; T751-M776 HydrophobicContact CG2-SD 4.35Å; T751-F783 HydrophobicContact CG2-CD1 3.85Å; T751-F783 HydrophobicContact CG2-CE1 3.82Å; T751-F783 WeakPolarHBondContact O-CA 3.43Å; T751-V784 PolarHBondContact O-N 3.45Å; T751-V784 VanDerWaalsContact O-N 3.15Å; T751-I802 PolarHBondContact OG1-O 2.82Å
752	I	91.2	Very high	88.6	Confident	41 Å²	41	53.7 Å²	53.7	21%	0.21	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-62.5	132.3	172.7	-57.1	169.2	0	0	0	110.1	Y758 V784 T787	I752-Y758 WeakPolarHBondContact O-CB 3.37Å; I752-V784 CarbonylContact C-O 3.59Å; I752-V784 VanDerWaalsContact CA-O 3.31Å; I752-V784 WeakPolarHBondContact CA-O 3.46Å; I752-V784 HydrophobicContact CG1-CG2 4.15Å; I752-T787 VanDerWaalsContact CD1-OG1 3.23Å; I752-T787 WeakPolarHBondContact CD1-OG1 3.44Å
753	H	87.8	Confident	88.8	Confident	102 Å²	102	58 Å²	58	47%	0.472	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	133.1	179.3	-170.6	64.7	0	0	0	111.7	T751 G755 Y758 F783 V784	T751-H753 PolarHBondContact O-N 3.38Å; H753-G755 PolarHBondContact O-N 2.85Å; H753-G755 VanDerWaalsContact O-N 3.15Å; H753-Y758 AromaticContact ND1-CE2 3.75Å; H753-F783 HydrophobicContact CB-CB 4.11Å; H753-V784 PolarHBondContact N-O 3.34Å
754	G	83	Confident	89.1	Confident	27 Å²	27	50.5 Å²	50.5	28%	0.278	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	4.6	178.4	0	0	0	0	0	115.6	T562	T562-G754 VanDerWaalsContact CG2-O 3.25Å; T562-G754 WeakPolarHBondContact CG2-O 3.5Å
755	G	87.2	Confident	89.4	Confident	20 Å²	20	55.2 Å²	55.2	21%	0.206	29%	0.288	C	S	.	.	S	Bend	trans	-77.9	176.3	176.9	0	0	0	0	0	114.1	H753 T757 Y758 S759	H753-G755 PolarHBondContact O-N 2.85Å; H753-G755 VanDerWaalsContact O-N 3.15Å; G755-T757 VanDerWaalsContact C-N 3.25Å; G755-T757 PolarHBondContact O-N 2.83Å; G755-Y758 WeakPolarHBondContact O-CB 3.48Å; G755-Y758 PolarHBondContact O-N 3.45Å; G755-Y758 VanDerWaalsContact O-N 3.13Å; G755-S759 PolarHBondContact O-N 3.46Å
756	S	88.3	Confident	89.8	Confident	15 Å²	15	54 Å²	54	11%	0.105	28%	0.277	C	S	.	.	H	α-helix	trans	-61.4	-33.9	176.4	66.6	0	0	0	0	112.4	T590 F760 E804 R828	T590-S756 PolarHBondContact OG1-OG 2.83Å; S756-F760 PolarHBondContact O-N 3.4Å; S756-F760 VanDerWaalsContact O-N 3.14Å; S756-E804 PolarHBondContact OG-OE1 2.79Å; S756-R828 PolarHBondContact O-NH1 3.25Å; S756-R828 VanDerWaalsContact O-NH1 3.12Å
757	T	90.8	Very high	90.2	Very high	9 Å²	9	49.6 Å²	49.6	6%	0.055	27%	0.267	C	S	.	.	H	α-helix	trans	-71.5	-34.5	174.5	-49.4	0	0	0	0	112.6	L610 T751 G755 F760 F761 I802	L610-T757 HydrophobicContact CD1-CG2 4.11Å; L610-T757 HydrophobicContact CD2-CG2 3.79Å; L610-T757 VanDerWaalsContact CD2-OG1 3.29Å; L610-T757 WeakPolarHBondContact CD2-OG1 2.91Å; T751-T757 HydrophobicContact CG2-CG2 4.41Å; T751-T757 VanDerWaalsContact OG1-CB 3.23Å; T751-T757 WeakPolarHBondContact OG1-CB 3.26Å; T751-T757 WeakPolarHBondContact OG1-CG2 3.09Å; G755-T757 VanDerWaalsContact C-N 3.25Å; G755-T757 PolarHBondContact O-N 2.83Å; T757-F760 WeakPolarHBondContact O-CB 3.13Å; T757-F760 PolarHBondContact O-N 2.91Å; T757-F761 HydrophobicContact CG2-CD2 4.11Å; T757-F761 HydrophobicContact CG2-CE2 3.77Å; T757-F761 WeakPolarHBondContact O-CD2 3.17Å; T757-F761 PolarHBondContact O-N 2.99Å; T757-I802 HydrophobicContact CG2-CG2 4.08Å
758	Y	91.4	Very high	90.4	Very high	40 Å²	40	49.1 Å²	49.1	16%	0.157	27%	0.266	C	S	.	.	H	α-helix	trans	-64.3	-49.3	175.3	173.5	-87.9	0	0	0	111	I752 H753 G755 F760 F761 K762 W773 F783	I752-Y758 WeakPolarHBondContact O-CB 3.37Å; H753-Y758 AromaticContact ND1-CE2 3.75Å; G755-Y758 WeakPolarHBondContact O-CB 3.48Å; G755-Y758 PolarHBondContact O-N 3.45Å; G755-Y758 VanDerWaalsContact O-N 3.13Å; Y758-F760 VanDerWaalsContact C-N 3.28Å; Y758-F760 PolarHBondContact O-N 3.45Å; Y758-F761 PolarHBondContact O-N 3.38Å; Y758-K762 HydrophobicContact CE1-CD 4.36Å; Y758-K762 PolarHBondContact O-N 3.5Å; Y758-K762 VanDerWaalsContact O-N 3.12Å; Y758-W773 HydrophobicContact CD2-CH2 4.29Å; Y758-W773 AromaticContact CD2-CZ3 3.97Å; Y758-W773 HydrophobicContact CD2-CZ3 3.97Å; Y758-W773 AromaticContact CE1-CH2 4Å; Y758-W773 HydrophobicContact CE1-CH2 4Å; Y758-W773 HydrophobicContact CE1-CZ3 4.46Å; Y758-W773 AromaticContact CE2-CH2 3.65Å; Y758-W773 HydrophobicContact CE2-CH2 3.65Å; Y758-W773 AromaticContact CE2-CZ3 3.75Å; Y758-W773 HydrophobicContact CE2-CZ3 3.75Å; Y758-W773 HydrophobicContact CG-CZ3 4.42Å; Y758-W773 AromaticContact CZ-CH2 3.49Å; Y758-W773 VanDerWaalsContact CZ-CH2 3.49Å; Y758-F783 AromaticContact CD2-CD1 3.86Å; Y758-F783 HydrophobicContact CD2-CD1 3.86Å; Y758-F783 AromaticContact CD2-CE1 3.57Å; Y758-F783 HydrophobicContact CD2-CE1 3.57Å; Y758-F783 HydrophobicContact CD2-CG 4.49Å; Y758-F783 AromaticContact CD2-CZ 3.97Å; Y758-F783 HydrophobicContact CD2-CZ 3.97Å; Y758-F783 HydrophobicContact CE2-CD1 4.19Å; Y758-F783 HydrophobicContact CE2-CD2 4.38Å; Y758-F783 AromaticContact CE2-CE1 3.8Å; Y758-F783 HydrophobicContact CE2-CE1 3.8Å; Y758-F783 HydrophobicContact CE2-CE2 4.01Å; Y758-F783 HydrophobicContact CE2-CG 4.47Å; Y758-F783 AromaticContact CE2-CZ 3.69Å; Y758-F783 HydrophobicContact CE2-CZ 3.69Å
759	S	89.9	Confident	90.3	Very high	45 Å²	45	45 Å²	45	32%	0.315	25%	0.247	S	C	.	.	H	α-helix	trans	-64.9	-32.2	178.5	-60.1	0	0	0	0	112.6	G755 K762 N763	G755-S759 PolarHBondContact O-N 3.46Å; S759-K762 PolarHBondContact O-N 3.28Å; S759-N763 WeakPolarHBondContact O-CB 3.34Å; S759-N763 PolarHBondContact O-N 3.38Å
760	F	91.6	Very high	90.3	Very high	30 Å²	30	48.6 Å²	48.6	13%	0.132	26%	0.264	C	S	.	.	H	α-helix	trans	-56.5	-56.4	173.4	172.3	-107.7	0	0	0	112.3	L610 S756 T757 Y758 K762 N763 S764 Y769 D826	L610-F760 HydrophobicContact CD1-CB 4.38Å; L610-F760 HydrophobicContact CD1-CD1 3.37Å; L610-F760 HydrophobicContact CD1-CD2 4.49Å; L610-F760 HydrophobicContact CD1-CE1 3.66Å; L610-F760 HydrophobicContact CD1-CG 3.82Å; L610-F760 HydrophobicContact CD1-CZ 4.33Å; S756-F760 PolarHBondContact O-N 3.4Å; S756-F760 VanDerWaalsContact O-N 3.14Å; T757-F760 WeakPolarHBondContact O-CB 3.13Å; T757-F760 PolarHBondContact O-N 2.91Å; Y758-F760 VanDerWaalsContact C-N 3.28Å; Y758-F760 PolarHBondContact O-N 3.45Å; F760-K762 VanDerWaalsContact C-N 3.29Å; F760-K762 PolarHBondContact O-N 3.32Å; F760-N763 PolarHBondContact O-N 3.01Å; F760-S764 VanDerWaalsContact O-CB 3.24Å; F760-S764 WeakPolarHBondContact O-CB 3.33Å; F760-S764 PolarHBondContact O-N 2.99Å; F760-Y769 HydrophobicContact CE1-CD2 4.01Å; F760-Y769 HydrophobicContact CE1-CE2 4.25Å; F760-Y769 HydrophobicContact CE1-CG 4.21Å; F760-Y769 AromaticContact CZ-CD2 3.6Å; F760-Y769 HydrophobicContact CZ-CD2 3.6Å; F760-Y769 AromaticContact CZ-CE2 3.62Å; F760-Y769 HydrophobicContact CZ-CE2 3.62Å; F760-Y769 HydrophobicContact CZ-CG 4.27Å; F760-D826 HydrophobicContact CD2-CB 4.41Å; F760-D826 WeakPolarHBondContact CD2-OD2 3.27Å; F760-D826 HydrophobicContact CE2-CB 3.78Å; F760-D826 WeakPolarHBondContact CE2-OD2 3.46Å; F760-D826 HydrophobicContact CZ-CB 3.95Å
761	F	92.6	Very high	90.2	Very high	5 Å²	5	54.7 Å²	54.7	2%	0.022	29%	0.287	C	S	.	.	H	α-helix	trans	-65	-36.5	-179.1	-74.9	-70.5	0	0	0	111.6	T757 Y758 N763 Y769 M772 W773 M776 I802	T757-F761 HydrophobicContact CG2-CD2 4.11Å; T757-F761 HydrophobicContact CG2-CE2 3.77Å; T757-F761 WeakPolarHBondContact O-CD2 3.17Å; T757-F761 PolarHBondContact O-N 2.99Å; Y758-F761 PolarHBondContact O-N 3.38Å; F761-N763 PolarHBondContact O-N 2.96Å; F761-Y769 HydrophobicContact CD1-CG 4.49Å; F761-Y769 AromaticContact CE1-CD1 3.98Å; F761-Y769 HydrophobicContact CE1-CD1 3.98Å; F761-Y769 HydrophobicContact CE1-CG 4.3Å; F761-M772 HydrophobicContact CD1-CB 4.25Å; F761-M772 HydrophobicContact CE1-CB 4.27Å; F761-M772 HydrophobicContact CE1-CE 4Å; F761-M772 HydrophobicContact CE1-SD 3.87Å; F761-M772 HydrophobicContact CZ-CE 4.15Å; F761-W773 HydrophobicContact CB-CB 4.19Å; F761-W773 HydrophobicContact CB-CE3 3.81Å; F761-W773 VanDerWaalsContact O-CB 3.31Å; F761-W773 WeakPolarHBondContact O-CB 3.37Å; F761-M776 HydrophobicContact CB-CE 3.83Å; F761-M776 HydrophobicContact CD1-CE 4Å; F761-M776 HydrophobicContact CD2-CE 3.74Å; F761-M776 HydrophobicContact CE2-CE 4.32Å; F761-M776 HydrophobicContact CG-CE 3.58Å; F761-I802 HydrophobicContact CE2-CB 4.33Å; F761-I802 HydrophobicContact CE2-CD1 3.83Å; F761-I802 HydrophobicContact CE2-CG2 3.83Å; F761-I802 HydrophobicContact CZ-CD1 3.66Å; F761-I802 HydrophobicContact CZ-CG2 4.01Å
762	K	90.9	Very high	90.1	Very high	109 Å²	109	54.6 Å²	54.6	47%	0.474	29%	0.287	S	S	.	.	H	α-helix	trans	-60.7	-42.8	176.9	-175.2	-179.4	175	-169.6	0	113.1	Y758 S759 F760 W773	Y758-K762 HydrophobicContact CE1-CD 4.36Å; Y758-K762 PolarHBondContact O-N 3.5Å; Y758-K762 VanDerWaalsContact O-N 3.12Å; S759-K762 PolarHBondContact O-N 3.28Å; F760-K762 VanDerWaalsContact C-N 3.29Å; F760-K762 PolarHBondContact O-N 3.32Å; K762-W773 HydrophobicContact CB-CD2 4.13Å; K762-W773 HydrophobicContact CB-CE3 4.09Å; K762-W773 HydrophobicContact CB-CH2 3.62Å; K762-W773 HydrophobicContact CB-CZ2 3.68Å; K762-W773 HydrophobicContact CB-CZ3 3.83Å; K762-W773 HydrophobicContact CD-CH2 4.17Å; K762-W773 HydrophobicContact CD-CZ2 4.09Å; K762-W773 HydrophobicContact CG-CH2 3.87Å; K762-W773 HydrophobicContact CG-CZ2 3.53Å
763	N	90.1	Very high	90.2	Very high	96 Å²	96	54 Å²	54	51%	0.513	28%	0.282	S	S	.	.	H	α-helix	trans	-101.3	-0.1	-170	-62.3	-13.1	0	0	0	113.4	S759 F760 F761	S759-N763 WeakPolarHBondContact O-CB 3.34Å; S759-N763 PolarHBondContact O-N 3.38Å; F760-N763 PolarHBondContact O-N 3.01Å; F761-N763 PolarHBondContact O-N 2.96Å
764	S	90.6	Very high	90.5	Very high	16 Å²	16	53.2 Å²	53.2	11%	0.112	28%	0.282	C	S	.	.			trans	-75.1	134.9	-176.7	165.2	0	0	0	0	112.6	F760 I766 Y769 Q770	F760-S764 VanDerWaalsContact O-CB 3.24Å; F760-S764 WeakPolarHBondContact O-CB 3.33Å; F760-S764 PolarHBondContact O-N 2.99Å; S764-I766 PolarHBondContact OG-N 3.11Å; S764-Y769 WeakPolarHBondContact OG-CB 3.24Å; S764-Y769 WeakPolarHBondContact OG-CD2 3.29Å; S764-Q770 WeakPolarHBondContact O-CG 3.28Å; S764-Q770 PolarHBondContact O-NE2 3.43Å
765	D	89.8	Confident	90.9	Very high	141 Å²	141	53.7 Å²	53.7	75%	0.754	28%	0.276	S	S	*	.			trans	-88.4	-7.3	174.2	-65.6	-40	0	0	0	114.2
766	I	90.2	Very high	91.2	Very high	88 Å²	88	52.8 Å²	52.8	45%	0.451	27%	0.266	S	S	.	.	S	Bend	trans	-73.7	126.1	-179.1	-65.5	167.6	0	0	0	110	S764 T768 Y769 Q770	S764-I766 PolarHBondContact OG-N 3.11Å; I766-T768 VanDerWaalsContact C-N 3.29Å; I766-T768 PolarHBondContact O-N 2.88Å; I766-T768 VanDerWaalsContact O-N 3.15Å; I766-Y769 HydrophobicContact CB-CD2 3.63Å; I766-Y769 HydrophobicContact CB-CE2 4.09Å; I766-Y769 HydrophobicContact CB-CG 4.3Å; I766-Y769 HydrophobicContact CD1-CD2 3.84Å; I766-Y769 HydrophobicContact CD1-CE2 3.53Å; I766-Y769 HydrophobicContact CG1-CD2 4.27Å; I766-Y769 HydrophobicContact CG1-CE2 4.39Å; I766-Y769 HydrophobicContact CG2-CD2 3.9Å; I766-Y769 HydrophobicContact CG2-CE2 4.07Å; I766-Y769 HydrophobicContact CG2-CG 4.35Å; I766-Y769 PolarHBondContact O-N 2.91Å; I766-Q770 PolarHBondContact O-N 2.96Å
767	P	90.9	Very high	91.4	Very high	94 Å²	94	55.1 Å²	55.1	61%	0.61	28%	0.278	S	S	*	.	H	α-helix	trans	-54.8	-37.8	-173.8	-29.6	35.1	0	0	0	115.1	Q770 R771	P767-Q770 PolarHBondContact O-N 2.96Å; P767-R771 PolarHBondContact O-N 3.39Å
768	T	88.7	Confident	91.4	Very high	29 Å²	29	62 Å²	62	18%	0.178	31%	0.309	C	S	.	.	H	α-helix	trans	-60.8	-48.7	176.2	-57.2	0	0	0	0	111.6	E739 A742 I766 R771 M772	E739-T768 VanDerWaalsContact OE2-CB 3.29Å; E739-T768 WeakPolarHBondContact OE2-CB 3.45Å; E739-T768 WeakPolarHBondContact OE2-CG2 3.22Å; E739-T768 PolarHBondContact OE2-OG1 2.94Å; A742-T768 HydrophobicContact CB-CG2 4.02Å; I766-T768 VanDerWaalsContact C-N 3.29Å; I766-T768 PolarHBondContact O-N 2.88Å; I766-T768 VanDerWaalsContact O-N 3.15Å; T768-R771 WeakPolarHBondContact O-CB 3.18Å; T768-R771 PolarHBondContact O-N 3.48Å; T768-M772 WeakPolarHBondContact O-CG 3.16Å; T768-M772 PolarHBondContact O-N 3.36Å; T768-M772 VanDerWaalsContact O-N 3.07Å
769	Y	91.9	Very high	91.4	Very high	33 Å²	33	63.4 Å²	63.4	13%	0.129	32%	0.319	C	S	.	.	H	α-helix	trans	-72.5	-32.1	-178.2	-56.2	-30.6	0	0	0	112	V738 F760 F761 S764 I766 M772 W773 L825	V738-Y769 HydrophobicContact CG1-CE1 4.36Å; F760-Y769 HydrophobicContact CE1-CD2 4.01Å; F760-Y769 HydrophobicContact CE1-CE2 4.25Å; F760-Y769 HydrophobicContact CE1-CG 4.21Å; F760-Y769 AromaticContact CZ-CD2 3.6Å; F760-Y769 HydrophobicContact CZ-CD2 3.6Å; F760-Y769 AromaticContact CZ-CE2 3.62Å; F760-Y769 HydrophobicContact CZ-CE2 3.62Å; F760-Y769 HydrophobicContact CZ-CG 4.27Å; F761-Y769 HydrophobicContact CD1-CG 4.49Å; F761-Y769 AromaticContact CE1-CD1 3.98Å; F761-Y769 HydrophobicContact CE1-CD1 3.98Å; F761-Y769 HydrophobicContact CE1-CG 4.3Å; S764-Y769 WeakPolarHBondContact OG-CB 3.24Å; S764-Y769 WeakPolarHBondContact OG-CD2 3.29Å; I766-Y769 HydrophobicContact CB-CD2 3.63Å; I766-Y769 HydrophobicContact CB-CE2 4.09Å; I766-Y769 HydrophobicContact CB-CG 4.3Å; I766-Y769 HydrophobicContact CD1-CD2 3.84Å; I766-Y769 HydrophobicContact CD1-CE2 3.53Å; I766-Y769 HydrophobicContact CG1-CD2 4.27Å; I766-Y769 HydrophobicContact CG1-CE2 4.39Å; I766-Y769 HydrophobicContact CG2-CD2 3.9Å; I766-Y769 HydrophobicContact CG2-CE2 4.07Å; I766-Y769 HydrophobicContact CG2-CG 4.35Å; I766-Y769 PolarHBondContact O-N 2.91Å; Y769-M772 HydrophobicContact CD1-SD 4.21Å; Y769-M772 PolarHBondContact O-N 3.26Å; Y769-W773 WeakPolarHBondContact O-CB 3.32Å; Y769-W773 PolarHBondContact O-N 3.19Å; Y769-L825 HydrophobicContact CE1-CD1 4.48Å
770	Q	91.7	Very high	91.4	Very high	80 Å²	80	68.6 Å²	68.6	37%	0.374	34%	0.336	S	S	.	.	H	α-helix	trans	-62.6	-42.3	170.4	-71.3	-177.8	-14.9	0	0	111.9	S764 I766 P767 M772 W773 N774	S764-Q770 WeakPolarHBondContact O-CG 3.28Å; S764-Q770 PolarHBondContact O-NE2 3.43Å; I766-Q770 PolarHBondContact O-N 2.96Å; P767-Q770 PolarHBondContact O-N 2.96Å; Q770-M772 VanDerWaalsContact C-N 3.32Å; Q770-M772 PolarHBondContact O-N 2.95Å; Q770-W773 PolarHBondContact O-N 2.68Å; Q770-N774 WeakPolarHBondContact O-CB 3.34Å; Q770-N774 VanDerWaalsContact O-CG 3.23Å; Q770-N774 PolarHBondContact O-N 2.99Å; Q770-N774 PolarHBondContact O-ND2 3.38Å
771	R	91.6	Very high	91.3	Very high	127 Å²	127	71.5 Å²	71.5	48%	0.479	36%	0.36	S	S	.	.	H	α-helix	trans	-60.1	-44.9	174.4	-174.6	-176.1	-65.9	147.3	1.5	110.9	A742 P767 T768 N774 F775	A742-R771 WeakPolarHBondContact O-CD 3.13Å; P767-R771 PolarHBondContact O-N 3.39Å; T768-R771 WeakPolarHBondContact O-CB 3.18Å; T768-R771 PolarHBondContact O-N 3.48Å; R771-N774 PolarHBondContact O-N 2.74Å; R771-F775 PolarHBondContact O-N 3.48Å
772	M	91.8	Very high	91.3	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-63.1	-43.7	176.5	-67.6	179	75.2	0	0	112.4	V738 L741 A742 Y749 F761 T768 Y769 Q770 F775 M776 I802	V738-M772 HydrophobicContact CG1-CE 3.59Å; V738-M772 HydrophobicContact CG1-SD 3.28Å; V738-M772 WeakPolarHBondContact CG1-SD 3.37Å; L741-M772 HydrophobicContact CD2-CE 4.31Å; A742-M772 HydrophobicContact CB-CG 3.62Å; A742-M772 HydrophobicContact CB-SD 4.15Å; Y749-M772 HydrophobicContact CD2-CE 3.89Å; Y749-M772 HydrophobicContact CE2-CB 3.74Å; Y749-M772 HydrophobicContact CE2-CE 3.8Å; Y749-M772 HydrophobicContact CE2-CG 3.89Å; Y749-M772 WeakPolarHBondContact OH-CA 3.4Å; F761-M772 HydrophobicContact CD1-CB 4.25Å; F761-M772 HydrophobicContact CE1-CB 4.27Å; F761-M772 HydrophobicContact CE1-CE 4Å; F761-M772 HydrophobicContact CE1-SD 3.87Å; F761-M772 HydrophobicContact CZ-CE 4.15Å; T768-M772 WeakPolarHBondContact O-CG 3.16Å; T768-M772 PolarHBondContact O-N 3.36Å; T768-M772 VanDerWaalsContact O-N 3.07Å; Y769-M772 HydrophobicContact CD1-SD 4.21Å; Y769-M772 PolarHBondContact O-N 3.26Å; Q770-M772 VanDerWaalsContact C-N 3.32Å; Q770-M772 PolarHBondContact O-N 2.95Å; M772-F775 PolarHBondContact O-N 3.47Å; M772-M776 HydrophobicContact CB-CE 4.29Å; M772-M776 WeakPolarHBondContact O-CE 3.4Å; M772-M776 WeakPolarHBondContact O-CG 3.2Å; M772-M776 PolarHBondContact O-N 3.49Å; M772-I802 HydrophobicContact CE-CD1 3.36Å
773	W	94	Very high	91.4	Very high	27 Å²	27	67.5 Å²	67.5	10%	0.102	34%	0.343	C	S	.	.	H	α-helix	trans	-60.1	-47.7	176	173.6	-111.4	0	0	0	111.7	Y758 F761 K762 Y769 Q770 F775 M776 N777 F783	Y758-W773 HydrophobicContact CD2-CH2 4.29Å; Y758-W773 AromaticContact CD2-CZ3 3.97Å; Y758-W773 HydrophobicContact CD2-CZ3 3.97Å; Y758-W773 AromaticContact CE1-CH2 4Å; Y758-W773 HydrophobicContact CE1-CH2 4Å; Y758-W773 HydrophobicContact CE1-CZ3 4.46Å; Y758-W773 AromaticContact CE2-CH2 3.65Å; Y758-W773 HydrophobicContact CE2-CH2 3.65Å; Y758-W773 AromaticContact CE2-CZ3 3.75Å; Y758-W773 HydrophobicContact CE2-CZ3 3.75Å; Y758-W773 HydrophobicContact CG-CZ3 4.42Å; Y758-W773 AromaticContact CZ-CH2 3.49Å; Y758-W773 VanDerWaalsContact CZ-CH2 3.49Å; F761-W773 HydrophobicContact CB-CB 4.19Å; F761-W773 HydrophobicContact CB-CE3 3.81Å; F761-W773 VanDerWaalsContact O-CB 3.31Å; F761-W773 WeakPolarHBondContact O-CB 3.37Å; K762-W773 HydrophobicContact CB-CD2 4.13Å; K762-W773 HydrophobicContact CB-CE3 4.09Å; K762-W773 HydrophobicContact CB-CH2 3.62Å; K762-W773 HydrophobicContact CB-CZ2 3.68Å; K762-W773 HydrophobicContact CB-CZ3 3.83Å; K762-W773 HydrophobicContact CD-CH2 4.17Å; K762-W773 HydrophobicContact CD-CZ2 4.09Å; K762-W773 HydrophobicContact CG-CH2 3.87Å; K762-W773 HydrophobicContact CG-CZ2 3.53Å; Y769-W773 WeakPolarHBondContact O-CB 3.32Å; Y769-W773 PolarHBondContact O-N 3.19Å; Q770-W773 PolarHBondContact O-N 2.68Å; W773-F775 VanDerWaalsContact C-N 3.28Å; W773-F775 PolarHBondContact O-N 3.36Å; W773-M776 PolarHBondContact O-N 3.11Å; W773-N777 HydrophobicContact CD2-CB 4.4Å; W773-N777 HydrophobicContact CZ2-CB 4.2Å; W773-N777 WeakPolarHBondContact O-CB 3.41Å; W773-N777 PolarHBondContact O-N 2.83Å; W773-F783 HydrophobicContact CZ3-CE1 4.42Å; W773-F783 AromaticContact CZ3-CZ 3.99Å; W773-F783 HydrophobicContact CZ3-CZ 3.99Å
774	N	92.9	Very high	91.5	Very high	87 Å²	87	63 Å²	63	47%	0.465	32%	0.319	S	S	.	.	H	α-helix	trans	-59	-42.3	177.9	-72.4	-24.3	0	0	0	111.3	Q770 R771 Q778	Q770-N774 WeakPolarHBondContact O-CB 3.34Å; Q770-N774 VanDerWaalsContact O-CG 3.23Å; Q770-N774 PolarHBondContact O-N 2.99Å; Q770-N774 PolarHBondContact O-ND2 3.38Å; R771-N774 PolarHBondContact O-N 2.74Å; N774-Q778 WeakPolarHBondContact O-CB 3.25Å; N774-Q778 WeakPolarHBondContact O-CG 3.5Å; N774-Q778 PolarHBondContact O-N 2.87Å
775	F	92.7	Very high	91.4	Very high	37 Å²	37	68.2 Å²	68.2	16%	0.162	35%	0.346	C	S	.	.	H	α-helix	trans	-62.2	-46.3	175.5	178.7	-96.5	0	0	0	112.8	Y749 R771 M772 W773 N779 L782	Y749-F775 HydrophobicContact CD1-CD1 4.35Å; Y749-F775 HydrophobicContact CD1-CE1 4.16Å; Y749-F775 HydrophobicContact CD2-CD1 4.16Å; Y749-F775 AromaticContact CE1-CD1 3.81Å; Y749-F775 HydrophobicContact CE1-CD1 3.81Å; Y749-F775 AromaticContact CE1-CE1 3.91Å; Y749-F775 HydrophobicContact CE1-CE1 3.91Å; Y749-F775 HydrophobicContact CE1-CG 4.48Å; Y749-F775 HydrophobicContact CE2-CB 4.42Å; Y749-F775 AromaticContact CE2-CD1 3.57Å; Y749-F775 HydrophobicContact CE2-CD1 3.57Å; Y749-F775 HydrophobicContact CE2-CE1 4.28Å; Y749-F775 HydrophobicContact CE2-CG 4.34Å; Y749-F775 HydrophobicContact CG-CE1 4.47Å; Y749-F775 AromaticContact CZ-CD1 3.38Å; Y749-F775 AromaticContact CZ-CE1 3.97Å; Y749-F775 AromaticContact CZ-CG 3.91Å; Y749-F775 WeakPolarHBondContact OH-CB 3.3Å; R771-F775 PolarHBondContact O-N 3.48Å; M772-F775 PolarHBondContact O-N 3.47Å; W773-F775 VanDerWaalsContact C-N 3.28Å; W773-F775 PolarHBondContact O-N 3.36Å; F775-N779 PolarHBondContact O-N 3.46Å; F775-N779 PolarHBondContact O-ND2 3.47Å; F775-L782 HydrophobicContact CD1-CD1 4.03Å; F775-L782 HydrophobicContact CE1-CD1 3.51Å; F775-L782 HydrophobicContact CZ-CD1 4.21Å
776	M	93.6	Very high	91.3	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-69.6	-38.7	178.7	-68.9	-175.1	-72.6	0	0	112.5	Y749 T751 F761 M772 W773 N779 F783	Y749-M776 HydrophobicContact CD2-CG 3.88Å; Y749-M776 HydrophobicContact CD2-SD 4.05Å; Y749-M776 HydrophobicContact CE2-CG 3.95Å; Y749-M776 HydrophobicContact CE2-SD 4.43Å; Y749-M776 WeakPolarHBondContact O-CG 3.3Å; T751-M776 HydrophobicContact CG2-SD 4.35Å; F761-M776 HydrophobicContact CB-CE 3.83Å; F761-M776 HydrophobicContact CD1-CE 4Å; F761-M776 HydrophobicContact CD2-CE 3.74Å; F761-M776 HydrophobicContact CE2-CE 4.32Å; F761-M776 HydrophobicContact CG-CE 3.58Å; M772-M776 HydrophobicContact CB-CE 4.29Å; M772-M776 WeakPolarHBondContact O-CE 3.4Å; M772-M776 WeakPolarHBondContact O-CG 3.2Å; M772-M776 PolarHBondContact O-N 3.49Å; W773-M776 PolarHBondContact O-N 3.11Å; M776-N779 CarbonylContact O-C 3.56Å; M776-N779 PolarHBondContact O-N 3.47Å; M776-N779 VanDerWaalsContact O-O 3.07Å; M776-F783 HydrophobicContact CB-CE1 3.9Å; M776-F783 HydrophobicContact CB-CE2 4.37Å; M776-F783 HydrophobicContact CB-CZ 3.58Å; M776-F783 WeakPolarHBondContact O-CE2 3.49Å; M776-F783 HydrophobicContact SD-CE1 4.21Å
777	N	92.1	Very high	91.3	Very high	64 Å²	64	64.5 Å²	64.5	34%	0.342	32%	0.321	S	S	.	.	H	α-helix	trans	-71.3	-35.6	-178.8	-172.7	40.8	0	0	0	112.2	W773 N779 K780	W773-N777 HydrophobicContact CD2-CB 4.4Å; W773-N777 HydrophobicContact CZ2-CB 4.2Å; W773-N777 WeakPolarHBondContact O-CB 3.41Å; W773-N777 PolarHBondContact O-N 2.83Å; N777-N779 VanDerWaalsContact C-N 3.29Å; N777-K780 WeakPolarHBondContact O-CG 3.4Å
778	Q	91.2	Very high	91.3	Very high	155 Å²	155	64.4 Å²	64.4	72%	0.724	31%	0.312	S	S	*	.	H	α-helix	trans	-64	-35.9	170.5	-75.1	173.5	0.8	0	0	111.6	N774	N774-Q778 WeakPolarHBondContact O-CB 3.25Å; N774-Q778 WeakPolarHBondContact O-CG 3.5Å; N774-Q778 PolarHBondContact O-N 2.87Å
779	N	91	Very high	91.5	Very high	68 Å²	68	66.2 Å²	66.2	36%	0.364	32%	0.319	S	S	.	.			trans	-110.5	70.3	-178.3	-64.8	-53	0	0	0	111.6	F775 M776 N777 S781 L782	F775-N779 PolarHBondContact O-N 3.46Å; F775-N779 PolarHBondContact O-ND2 3.47Å; M776-N779 CarbonylContact O-C 3.56Å; M776-N779 PolarHBondContact O-N 3.47Å; M776-N779 VanDerWaalsContact O-O 3.07Å; N777-N779 VanDerWaalsContact C-N 3.29Å; N779-S781 PolarHBondContact O-N 3.01Å; N779-L782 HydrophobicContact CB-CD1 3.51Å; N779-L782 HydrophobicContact CB-CG 3.77Å; N779-L782 VanDerWaalsContact O-CB 3.31Å; N779-L782 WeakPolarHBondContact O-CB 3.26Å; N779-L782 VanDerWaalsContact O-CG 3.29Å; N779-L782 WeakPolarHBondContact O-CG 3.37Å; N779-L782 PolarHBondContact O-N 3.05Å
780	K	88.6	Confident	91.5	Very high	155 Å²	155	64.7 Å²	64.7	67%	0.674	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-55.5	-23.7	-174.9	-64.2	-172.6	179.7	-178.7	0	115.1	N777 L782 F783	N777-K780 WeakPolarHBondContact O-CG 3.4Å; K780-L782 PolarHBondContact O-N 2.99Å; K780-F783 WeakPolarHBondContact O-CD2 3.31Å; K780-F783 PolarHBondContact O-N 2.93Å
781	S	90.2	Very high	91.6	Very high	91 Å²	91	61.4 Å²	61.4	64%	0.636	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-66.7	-13.5	175.8	57.5	0	0	0	0	114.2	N779 F783 R793	N779-S781 PolarHBondContact O-N 3.01Å; S781-F783 VanDerWaalsContact C-N 3.3Å; S781-R793 PolarHBondContact O-NH1 3.12Å
782	L	92	Very high	91.7	Very high	11 Å²	11	58.4 Å²	58.4	6%	0.058	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-74.1	-20.8	175.5	-61.6	179.7	0	0	0	112.6	K748 Y749 G750 F775 N779 K780 Y799	K748-L782 HydrophobicContact CB-CD2 3.76Å; K748-L782 HydrophobicContact CD-CD2 4.02Å; K748-L782 HydrophobicContact CG-CD2 4.38Å; Y749-L782 WeakPolarHBondContact O-CD1 3.46Å; G750-L782 WeakPolarHBondContact CA-O 3.49Å; F775-L782 HydrophobicContact CD1-CD1 4.03Å; F775-L782 HydrophobicContact CE1-CD1 3.51Å; F775-L782 HydrophobicContact CZ-CD1 4.21Å; N779-L782 HydrophobicContact CB-CD1 3.51Å; N779-L782 HydrophobicContact CB-CG 3.77Å; N779-L782 VanDerWaalsContact O-CB 3.31Å; N779-L782 WeakPolarHBondContact O-CB 3.26Å; N779-L782 VanDerWaalsContact O-CG 3.29Å; N779-L782 WeakPolarHBondContact O-CG 3.37Å; N779-L782 PolarHBondContact O-N 3.05Å; K780-L782 PolarHBondContact O-N 2.99Å; L782-Y799 HydrophobicContact CD2-CD2 4.43Å; L782-Y799 HydrophobicContact CD2-CE2 4.25Å; L782-Y799 PolarHBondContact O-OH 2.95Å
783	F	93.8	Very high	91.8	Very high	19 Å²	19	61.8 Å²	61.8	8%	0.083	31%	0.309	C	S	.	.			trans	-76	143.2	173	-57.6	-66.8	0	0	0	110.8	T751 H753 Y758 W773 M776 K780 S781	T751-F783 HydrophobicContact CG2-CD1 3.85Å; T751-F783 HydrophobicContact CG2-CE1 3.82Å; T751-F783 WeakPolarHBondContact O-CA 3.43Å; H753-F783 HydrophobicContact CB-CB 4.11Å; Y758-F783 AromaticContact CD2-CD1 3.86Å; Y758-F783 HydrophobicContact CD2-CD1 3.86Å; Y758-F783 AromaticContact CD2-CE1 3.57Å; Y758-F783 HydrophobicContact CD2-CE1 3.57Å; Y758-F783 HydrophobicContact CD2-CG 4.49Å; Y758-F783 AromaticContact CD2-CZ 3.97Å; Y758-F783 HydrophobicContact CD2-CZ 3.97Å; Y758-F783 HydrophobicContact CE2-CD1 4.19Å; Y758-F783 HydrophobicContact CE2-CD2 4.38Å; Y758-F783 AromaticContact CE2-CE1 3.8Å; Y758-F783 HydrophobicContact CE2-CE1 3.8Å; Y758-F783 HydrophobicContact CE2-CE2 4.01Å; Y758-F783 HydrophobicContact CE2-CG 4.47Å; Y758-F783 AromaticContact CE2-CZ 3.69Å; Y758-F783 HydrophobicContact CE2-CZ 3.69Å; W773-F783 HydrophobicContact CZ3-CE1 4.42Å; W773-F783 AromaticContact CZ3-CZ 3.99Å; W773-F783 HydrophobicContact CZ3-CZ 3.99Å; M776-F783 HydrophobicContact CB-CE1 3.9Å; M776-F783 HydrophobicContact CB-CE2 4.37Å; M776-F783 HydrophobicContact CB-CZ 3.58Å; M776-F783 WeakPolarHBondContact O-CE2 3.49Å; M776-F783 HydrophobicContact SD-CE1 4.21Å; K780-F783 WeakPolarHBondContact O-CD2 3.31Å; K780-F783 PolarHBondContact O-N 2.93Å; S781-F783 VanDerWaalsContact C-N 3.3Å
784	V	92.5	Very high	91.7	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.006	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-114.2	153.5	177.7	-64.1	0	0	0	0	110.8	T751 I752 H753 E789 L801	T751-V784 PolarHBondContact O-N 3.45Å; T751-V784 VanDerWaalsContact O-N 3.15Å; I752-V784 CarbonylContact C-O 3.59Å; I752-V784 VanDerWaalsContact CA-O 3.31Å; I752-V784 WeakPolarHBondContact CA-O 3.46Å; I752-V784 HydrophobicContact CG1-CG2 4.15Å; H753-V784 PolarHBondContact N-O 3.34Å; V784-E789 HydrophobicContact CG1-CG 4.43Å; V784-L801 HydrophobicContact CG2-CD1 3.8Å
785	N	87.8	Confident	91.6	Very high	126 Å²	126	58.7 Å²	58.7	67%	0.674	29%	0.294	S	S	*	.	S	Bend	trans	-88.5	-32	-179.8	-71.6	-30.6	0	0	0	112.4	E789	N785-E789 PolarHBondContact N-OE2 3.37Å; N785-E789 VanDerWaalsContact N-OE2 3.15Å
786	K	87.9	Confident	91.4	Very high	139 Å²	139	64.5 Å²	64.5	60%	0.604	32%	0.322	S	S	*	.	S	Bend	trans	-128	152.4	178.5	-67.2	-170.5	176.2	-168	0	111.2	E788 E789 G790	K786-E788 VanDerWaalsContact C-N 3.33Å; K786-E788 PolarHBondContact O-N 2.79Å; K786-E789 WeakPolarHBondContact O-CB 3.36Å; K786-E789 PolarHBondContact O-N 2.98Å; K786-G790 PolarHBondContact O-N 2.93Å
787	T	90.6	Very high	91	Very high	11 Å²	11	65.7 Å²	65.7	7%	0.067	33%	0.333	C	S	.	.	H	α-helix	trans	-61.1	-41.1	177.2	-45	0	0	0	0	111.6	I752 E789 G790 I791 L803 L807 Y811	I752-T787 VanDerWaalsContact CD1-OG1 3.23Å; I752-T787 WeakPolarHBondContact CD1-OG1 3.44Å; T787-E789 VanDerWaalsContact C-N 3.32Å; T787-E789 PolarHBondContact O-N 2.92Å; T787-G790 WeakPolarHBondContact O-CA 3.45Å; T787-G790 PolarHBondContact O-N 3.4Å; T787-I791 HydrophobicContact CG2-CG1 4.44Å; T787-I791 WeakPolarHBondContact O-CG1 3.26Å; T787-I791 PolarHBondContact O-N 2.79Å; T787-L803 HydrophobicContact CG2-CD1 3.91Å; T787-L807 HydrophobicContact CG2-CD1 4.45Å; T787-Y811 HydrophobicContact CG2-CD2 4.37Å; T787-Y811 HydrophobicContact CG2-CE2 3.52Å
788	E	90.5	Very high	90.7	Very high	93 Å²	93	65 Å²	65	44%	0.435	34%	0.341	S	S	.	.	H	α-helix	trans	-63	-36.7	-179.3	-57	116.1	174.3	0	0	113.2	K786 G790 I791 S792	K786-E788 VanDerWaalsContact C-N 3.33Å; K786-E788 PolarHBondContact O-N 2.79Å; E788-G790 VanDerWaalsContact C-N 3.34Å; E788-I791 PolarHBondContact O-N 2.84Å; E788-S792 WeakPolarHBondContact O-CB 3.46Å; E788-S792 PolarHBondContact O-N 2.75Å; E788-S792 PolarHBondContact O-OG 3.07Å
789	E	92.3	Very high	90.8	Very high	67 Å²	67	58.4 Å²	58.4	31%	0.313	31%	0.31	S	S	.	.	H	α-helix	trans	-61.5	-45.6	173.4	-174.4	-167	171.6	0	0	110.3	V784 N785 K786 T787 S792 R793	V784-E789 HydrophobicContact CG1-CG 4.43Å; N785-E789 PolarHBondContact N-OE2 3.37Å; N785-E789 VanDerWaalsContact N-OE2 3.15Å; K786-E789 WeakPolarHBondContact O-CB 3.36Å; K786-E789 PolarHBondContact O-N 2.98Å; T787-E789 VanDerWaalsContact C-N 3.32Å; T787-E789 PolarHBondContact O-N 2.92Å; E789-S792 PolarHBondContact O-N 2.82Å; E789-R793 WeakPolarHBondContact O-CG 3.17Å; E789-R793 PolarHBondContact O-N 3.1Å; E789-R793 IonicContact OE1-CZ 2.68Å; E789-R793 IonicContact OE1-NE 3.03Å; E789-R793 IonicContact OE1-NH2 2.64Å; E789-R793 PolarHBondContact OE1-NH2 2.94Å
790	G	93.1	Very high	90.8	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.8	-44.8	176.1	0	0	0	0	0	113	K786 T787 E788 S792 R793 V794	K786-G790 PolarHBondContact O-N 2.93Å; T787-G790 WeakPolarHBondContact O-CA 3.45Å; T787-G790 PolarHBondContact O-N 3.4Å; E788-G790 VanDerWaalsContact C-N 3.34Å; G790-S792 VanDerWaalsContact C-N 3.33Å; G790-S792 PolarHBondContact O-N 2.73Å; G790-R793 PolarHBondContact O-N 3.31Å; G790-V794 WeakPolarHBondContact O-CG2 3.25Å; G790-V794 PolarHBondContact O-N 2.85Å
791	I	93.4	Very high	91.1	Very high	12 Å²	12	47.8 Å²	47.8	6%	0.062	26%	0.26	C	S	.	.	H	α-helix	trans	-62.8	-40.6	177.1	-63.9	-62	0	0	0	111.3	I613 T787 E788 R793 V794 L795 L801 Y811 L818	I613-I791 HydrophobicContact CD1-CD1 4.23Å; I613-I791 HydrophobicContact CG2-CD1 4.07Å; T787-I791 HydrophobicContact CG2-CG1 4.44Å; T787-I791 WeakPolarHBondContact O-CG1 3.26Å; T787-I791 PolarHBondContact O-N 2.79Å; E788-I791 PolarHBondContact O-N 2.84Å; I791-R793 PolarHBondContact O-N 3.2Å; I791-V794 PolarHBondContact O-N 2.68Å; I791-L795 HydrophobicContact CG2-CD1 4.3Å; I791-L795 WeakPolarHBondContact O-CG 3.2Å; I791-L795 PolarHBondContact O-N 3.29Å; I791-L801 HydrophobicContact CD1-CD2 4.27Å; I791-Y811 HydrophobicContact CD1-CD1 4.3Å; I791-Y811 HydrophobicContact CD1-CD2 3.78Å; I791-Y811 HydrophobicContact CD1-CE2 4.4Å; I791-Y811 HydrophobicContact CD1-CG 3.73Å; I791-Y811 HydrophobicContact CG1-CD1 3.84Å; I791-Y811 HydrophobicContact CG1-CD2 3.83Å; I791-Y811 HydrophobicContact CG1-CE1 4Å; I791-Y811 HydrophobicContact CG1-CE2 4.02Å; I791-Y811 HydrophobicContact CG1-CG 3.75Å; I791-Y811 HydrophobicContact CG2-CD1 4.18Å; I791-L818 HydrophobicContact CD1-CD1 4.48Å; I791-L818 HydrophobicContact CG2-CD1 3.8Å
792	S	93.5	Very high	91.2	Very high	63 Å²	63	43.6 Å²	43.6	44%	0.441	23%	0.231	S	C	.	.	H	α-helix	trans	-62.1	-43.8	177.2	-57	0	0	0	0	111.6	E788 E789 G790 V794 L795 E796	E788-S792 WeakPolarHBondContact O-CB 3.46Å; E788-S792 PolarHBondContact O-N 2.75Å; E788-S792 PolarHBondContact O-OG 3.07Å; E789-S792 PolarHBondContact O-N 2.82Å; G790-S792 VanDerWaalsContact C-N 3.33Å; G790-S792 PolarHBondContact O-N 2.73Å; S792-V794 VanDerWaalsContact C-N 3.34Å; S792-V794 PolarHBondContact O-N 2.76Å; S792-L795 WeakPolarHBondContact O-CB 3.36Å; S792-L795 PolarHBondContact O-N 3.29Å; S792-L795 VanDerWaalsContact O-N 3.15Å; S792-E796 PolarHBondContact O-N 2.74Å; S792-E796 VanDerWaalsContact O-N 3.16Å
793	R	93.3	Very high	91.2	Very high	71 Å²	71	43.2 Å²	43.2	27%	0.268	23%	0.229	S	C	.	.	H	α-helix	trans	-63.5	-36.7	174.4	-68.3	-177.6	-171.3	-166.1	5	113	S781 E789 G790 I791 L795 E796 Y799	S781-R793 PolarHBondContact O-NH1 3.12Å; E789-R793 WeakPolarHBondContact O-CG 3.17Å; E789-R793 PolarHBondContact O-N 3.1Å; E789-R793 IonicContact OE1-CZ 2.68Å; E789-R793 IonicContact OE1-NE 3.03Å; E789-R793 IonicContact OE1-NH2 2.64Å; E789-R793 PolarHBondContact OE1-NH2 2.94Å; G790-R793 PolarHBondContact O-N 3.31Å; I791-R793 PolarHBondContact O-N 3.2Å; R793-L795 VanDerWaalsContact C-N 3.3Å; R793-L795 PolarHBondContact O-N 3.34Å; R793-E796 PolarHBondContact O-N 2.91Å; R793-Y799 HydrophobicContact CB-CD1 3.66Å; R793-Y799 HydrophobicContact CB-CE1 4.09Å; R793-Y799 HydrophobicContact CB-CG 4.28Å
794	V	93.1	Very high	91.1	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.2	-40.3	174.4	174	0	0	0	0	110.3	I613 Q615 G790 I791 S792 E796 G797 Y799 L801 L818	I613-V794 HydrophobicContact CG2-CG2 4.19Å; Q615-V794 WeakPolarHBondContact CB-O 3.32Å; G790-V794 WeakPolarHBondContact O-CG2 3.25Å; G790-V794 PolarHBondContact O-N 2.85Å; I791-V794 PolarHBondContact O-N 2.68Å; S792-V794 VanDerWaalsContact C-N 3.34Å; S792-V794 PolarHBondContact O-N 2.76Å; V794-E796 VanDerWaalsContact C-N 3.31Å; V794-E796 PolarHBondContact O-N 3.4Å; V794-G797 PolarHBondContact O-N 2.99Å; V794-G797 VanDerWaalsContact O-N 3.07Å; V794-Y799 HydrophobicContact CG2-CD1 3.71Å; V794-Y799 HydrophobicContact CG2-CE1 4.13Å; V794-L801 HydrophobicContact CG2-CB 3.62Å; V794-L818 HydrophobicContact CB-CD2 4.23Å; V794-L818 HydrophobicContact CG1-CD2 3.55Å
795	L	90.3	Very high	91	Very high	49 Å²	49	44.1 Å²	44.1	26%	0.257	24%	0.236	S	C	.	.	H	α-helix	trans	-67.9	-25.8	178.5	-70.3	169	0	0	0	114.3	Q615 I791 S792 R793 G797 N815 K817 L818	Q615-L795 PolarHBondContact NE2-O 3.03Å; I791-L795 HydrophobicContact CG2-CD1 4.3Å; I791-L795 WeakPolarHBondContact O-CG 3.2Å; I791-L795 PolarHBondContact O-N 3.29Å; S792-L795 WeakPolarHBondContact O-CB 3.36Å; S792-L795 PolarHBondContact O-N 3.29Å; S792-L795 VanDerWaalsContact O-N 3.15Å; R793-L795 VanDerWaalsContact C-N 3.3Å; R793-L795 PolarHBondContact O-N 3.34Å; L795-G797 PolarHBondContact O-N 2.72Å; L795-N815 VanDerWaalsContact CD1-ND2 3.34Å; L795-N815 WeakPolarHBondContact CD1-ND2 3.47Å; L795-N815 VanDerWaalsContact CD2-ND2 3.33Å; L795-N815 WeakPolarHBondContact CD2-ND2 3.36Å; L795-K817 HydrophobicContact CD2-CB 4.01Å; L795-L818 HydrophobicContact CD2-CD2 3.62Å; L795-L818 HydrophobicContact CD2-CG 3.91Å; L795-L818 HydrophobicContact CG-CD2 3.98Å
796	E	89.4	Confident	91.2	Very high	160 Å²	160	38.3 Å²	38.3	75%	0.748	21%	0.205	S	C	*	.	H	α-helix	trans	-69.5	-20.1	171.7	-69.4	172.1	-175.3	0	0	112.3	S792 R793 V794	S792-E796 PolarHBondContact O-N 2.74Å; S792-E796 VanDerWaalsContact O-N 3.16Å; R793-E796 PolarHBondContact O-N 2.91Å; V794-E796 VanDerWaalsContact C-N 3.31Å; V794-E796 PolarHBondContact O-N 3.4Å
797	G	85.1	Confident	91.4	Very high	24 Å²	24	32 Å²	32	25%	0.247	18%	0.178	C	C	.	.	S	Bend	trans	90.3	163.3	178.3	0	0	0	0	0	113.8	V794 L795 Y799	V794-G797 PolarHBondContact O-N 2.99Å; V794-G797 VanDerWaalsContact O-N 3.07Å; L795-G797 PolarHBondContact O-N 2.72Å; G797-Y799 PolarHBondContact O-N 2.88Å; G797-Y799 VanDerWaalsContact O-N 3.11Å
798	G	85.5	Confident	91.3	Very high	49 Å²	49	31.5 Å²	31.5	51%	0.505	18%	0.175	S	C	.	.	S	Bend	trans	69.8	3.2	179.7	0	0	0	0	0	115.7	K748	K748-G798 PolarHBondContact N-O 3.47Å
799	Y	92.4	Very high	91.2	Very high	17 Å²	17	28.8 Å²	28.8	7%	0.067	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	140.8	176.7	-179.3	-104.6	0	0	0	111	K748 G750 L782 R793 V794 G797 L801	K748-Y799 HydrophobicContact CB-CD2 4.28Å; K748-Y799 CarbonylContact O-C 3.18Å; K748-Y799 VanDerWaalsContact O-CA 3.26Å; K748-Y799 WeakPolarHBondContact O-CA 3.45Å; G750-Y799 VanDerWaalsContact CA-OH 3.26Å; G750-Y799 WeakPolarHBondContact CA-OH 3.27Å; L782-Y799 HydrophobicContact CD2-CD2 4.43Å; L782-Y799 HydrophobicContact CD2-CE2 4.25Å; L782-Y799 PolarHBondContact O-OH 2.95Å; R793-Y799 HydrophobicContact CB-CD1 3.66Å; R793-Y799 HydrophobicContact CB-CE1 4.09Å; R793-Y799 HydrophobicContact CB-CG 4.28Å; V794-Y799 HydrophobicContact CG2-CD1 3.71Å; V794-Y799 HydrophobicContact CG2-CE1 4.13Å; G797-Y799 PolarHBondContact O-N 2.88Å; G797-Y799 VanDerWaalsContact O-N 3.11Å; Y799-L801 HydrophobicContact CE1-CB 4Å; Y799-L801 HydrophobicContact CE1-CD1 4.01Å; Y799-L801 WeakPolarHBondContact OH-CD1 3.45Å
800	A	91.8	Very high	91.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	125.5	176.2	0	0	0	0	0	109.6	V612 I613 I614 L741 I747 K748 Y749 G750	V612-A800 HydrophobicContact CG1-CB 3.71Å; I613-A800 WeakPolarHBondContact O-CA 3.48Å; I614-A800 HydrophobicContact CG2-CB 3.57Å; L741-A800 HydrophobicContact CD1-CB 4.17Å; L741-A800 HydrophobicContact CD2-CB 4.36Å; I747-A800 HydrophobicContact CG2-CB 3.8Å; K748-A800 PolarHBondContact O-N 2.79Å; Y749-A800 WeakPolarHBondContact CA-O 3.33Å; Y749-A800 WeakPolarHBondContact CB-O 3.43Å; G750-A800 PolarHBondContact N-O 3.35Å; G750-A800 VanDerWaalsContact N-O 3.08Å
801	L	93.8	Very high	91	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	130.8	176.6	-172.5	73.6	0	0	0	109.1	V612 I613 V784 I791 V794 Y799 L803	V612-L801 WeakPolarHBondContact CA-O 3.23Å; I613-L801 HydrophobicContact CG2-CB 3.91Å; I613-L801 PolarHBondContact N-O 3.47Å; I613-L801 PolarHBondContact O-N 3.38Å; I613-L801 VanDerWaalsContact O-N 3.1Å; V784-L801 HydrophobicContact CG2-CD1 3.8Å; I791-L801 HydrophobicContact CD1-CD2 4.27Å; V794-L801 HydrophobicContact CG2-CB 3.62Å; Y799-L801 HydrophobicContact CE1-CB 4Å; Y799-L801 HydrophobicContact CE1-CD1 4.01Å; Y799-L801 WeakPolarHBondContact OH-CD1 3.45Å; L801-L803 HydrophobicContact CB-CD2 4.06Å; L801-L803 HydrophobicContact CD2-CD1 4.16Å; L801-L803 HydrophobicContact CD2-CD2 3.81Å; L801-L803 HydrophobicContact CD2-CG 4.44Å; L801-L803 HydrophobicContact CG-CD2 3.81Å; L801-L803 VanDerWaalsContact O-CD2 3.3Å; L801-L803 WeakPolarHBondContact O-CD2 3.09Å
802	I	92.9	Very high	90.7	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	119.3	173.5	-46.6	176.6	0	0	0	107.5	V612 Y749 G750 T751 T757 F761 M772	V612-I802 HydrophobicContact CG2-CG1 4.23Å; Y749-I802 HydrophobicContact CD2-CD1 4.24Å; G750-I802 PolarHBondContact O-N 3.37Å; T751-I802 PolarHBondContact OG1-O 2.82Å; T757-I802 HydrophobicContact CG2-CG2 4.08Å; F761-I802 HydrophobicContact CE2-CB 4.33Å; F761-I802 HydrophobicContact CE2-CD1 3.83Å; F761-I802 HydrophobicContact CE2-CG2 3.83Å; F761-I802 HydrophobicContact CZ-CD1 3.66Å; F761-I802 HydrophobicContact CZ-CG2 4.01Å; M772-I802 HydrophobicContact CE-CD1 3.36Å
803	L	91.6	Very high	90.2	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.016	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	-178.7	-178	64.4	165.2	0	0	0	110.7	S611 I613 T787 L801 L807 N808	S611-L803 PolarHBondContact N-O 2.93Å; S611-L803 PolarHBondContact O-N 3.14Å; I613-L803 HydrophobicContact CB-CD2 4.26Å; I613-L803 HydrophobicContact CG2-CD2 3.6Å; T787-L803 HydrophobicContact CG2-CD1 3.91Å; L801-L803 HydrophobicContact CB-CD2 4.06Å; L801-L803 HydrophobicContact CD2-CD1 4.16Å; L801-L803 HydrophobicContact CD2-CD2 3.81Å; L801-L803 HydrophobicContact CD2-CG 4.44Å; L801-L803 HydrophobicContact CG-CD2 3.81Å; L801-L803 VanDerWaalsContact O-CD2 3.3Å; L801-L803 WeakPolarHBondContact O-CD2 3.09Å; L803-L807 HydrophobicContact CD1-CB 3.62Å; L803-L807 HydrophobicContact CD1-CD1 4.37Å; L803-L807 HydrophobicContact CG-CB 4.46Å; L803-N808 WeakPolarHBondContact CD1-OD1 3.41Å; L803-N808 WeakPolarHBondContact CD2-OD1 3.38Å; L803-N808 WeakPolarHBondContact CG-OD1 3.38Å
804	E	92.3	Very high	89.9	Confident	13 Å²	13	27.3 Å²	27.3	6%	0.061	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	142.1	-179.5	-62.8	176	148.5	0	0	111	T590 L608 S609 L610 S756 T806 L807 N808 Y830	T590-E804 VanDerWaalsContact CG2-OE1 3.29Å; T590-E804 WeakPolarHBondContact CG2-OE1 3.24Å; T590-E804 PolarHBondContact OG1-OE1 2.87Å; L608-E804 HydrophobicContact CD1-CB 4.01Å; L608-E804 HydrophobicContact CD1-CG 3.79Å; S609-E804 CarbonylContact O-C 3.58Å; S609-E804 WeakPolarHBondContact O-CA 3.5Å; L610-E804 HydrophobicContact CD2-CG 4.43Å; S756-E804 PolarHBondContact OG-OE1 2.79Å; E804-T806 PolarHBondContact O-N 3.23Å; E804-L807 PolarHBondContact O-N 2.74Å; E804-L807 VanDerWaalsContact O-N 3.1Å; E804-N808 PolarHBondContact O-N 3.4Å; E804-Y830 WeakPolarHBondContact OE2-CE1 3.42Å; E804-Y830 VanDerWaalsContact OE2-CZ 3.24Å; E804-Y830 PolarHBondContact OE2-OH 3.2Å
805	S	90.9	Very high	89.5	Confident	25 Å²	25	29.7 Å²	29.7	18%	0.175	16%	0.162	C	C	.	.	H	α-helix	trans	-61	-31.9	-173.3	60.3	0	0	0	0	113.4	S609 S611 N808 E809	S609-S805 PolarHBondContact N-OG 2.84Å; S609-S805 WeakPolarHBondContact O-CB 3.5Å; S609-S805 PolarHBondContact O-N 3Å; S609-S805 PolarHBondContact O-OG 2.99Å; S611-S805 VanDerWaalsContact OG-CA 3.25Å; S611-S805 WeakPolarHBondContact OG-CA 3.42Å; S805-N808 WeakPolarHBondContact O-CB 3.3Å; S805-N808 PolarHBondContact O-N 3.41Å; S805-E809 WeakPolarHBondContact O-CB 2.96Å; S805-E809 PolarHBondContact O-N 3.46Å
806	T	91.3	Very high	89.1	Confident	4 Å²	4	29.6 Å²	29.6	3%	0.025	17%	0.165	C	C	.	.	H	α-helix	trans	-63.1	-44.5	175.4	47.6	0	0	0	0	111.6	M606 L608 E804 E809 Y810 Y830 L866	M606-T806 HydrophobicContact CG-CG2 3.94Å; M606-T806 HydrophobicContact SD-CG2 3.4Å; M606-T806 WeakPolarHBondContact SD-CG2 3.32Å; L608-T806 HydrophobicContact CB-CG2 3.77Å; E804-T806 PolarHBondContact O-N 3.23Å; T806-E809 PolarHBondContact O-N 3.26Å; T806-Y810 WeakPolarHBondContact O-CB 3.37Å; T806-Y810 PolarHBondContact O-N 3.35Å; T806-Y830 HydrophobicContact CG2-CE2 4.18Å; T806-Y830 PolarHBondContact OG1-OH 3.28Å; T806-L866 HydrophobicContact CG2-CD2 4.47Å
807	L	91.6	Very high	88.8	Confident	6 Å²	6	28.5 Å²	28.5	3%	0.031	16%	0.158	C	C	.	.	H	α-helix	trans	-69.1	-37.2	174.2	-68.5	172.4	0	0	0	111.1	F513 T787 L803 E804 Y810 Y811	F513-L807 HydrophobicContact CE2-CD2 3.99Å; T787-L807 HydrophobicContact CG2-CD1 4.45Å; L803-L807 HydrophobicContact CD1-CB 3.62Å; L803-L807 HydrophobicContact CD1-CD1 4.37Å; L803-L807 HydrophobicContact CG-CB 4.46Å; E804-L807 PolarHBondContact O-N 2.74Å; E804-L807 VanDerWaalsContact O-N 3.1Å; L807-Y810 WeakPolarHBondContact O-CB 3.39Å; L807-Y810 PolarHBondContact O-N 2.92Å; L807-Y811 HydrophobicContact CD2-CE2 4.48Å; L807-Y811 WeakPolarHBondContact O-CD2 3.22Å; L807-Y811 PolarHBondContact O-N 3.2Å
808	N	89.2	Confident	88.9	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-61.8	-45.5	173.8	-83	-12.6	0	0	0	112.7	S611 I613 L803 E804 S805 Y810 Y811 A812 P820	S611-N808 VanDerWaalsContact C-ND2 3.3Å; S611-N808 PolarHBondContact O-ND2 3.14Å; S611-N808 VanDerWaalsContact O-ND2 3.13Å; S611-N808 PolarHBondContact OG-ND2 3.04Å; I613-N808 WeakPolarHBondContact CB-OD1 3.35Å; L803-N808 WeakPolarHBondContact CD1-OD1 3.41Å; L803-N808 WeakPolarHBondContact CD2-OD1 3.38Å; L803-N808 WeakPolarHBondContact CG-OD1 3.38Å; E804-N808 PolarHBondContact O-N 3.4Å; S805-N808 WeakPolarHBondContact O-CB 3.3Å; S805-N808 PolarHBondContact O-N 3.41Å; N808-Y810 VanDerWaalsContact C-N 3.3Å; N808-Y810 PolarHBondContact O-N 2.97Å; N808-Y811 PolarHBondContact O-N 3.36Å; N808-A812 WeakPolarHBondContact O-CB 3.33Å; N808-A812 PolarHBondContact O-N 2.99Å; N808-P820 HydrophobicContact CB-CB 4.37Å
809	E	88	Confident	88.7	Confident	36 Å²	36	27.1 Å²	27.1	17%	0.168	14%	0.135	C	C	.	.	H	α-helix	trans	-56.9	-46.7	173.2	-175.9	178.2	175.2	0	0	110.4	S805 T806 Q813 R862 Q867	S805-E809 WeakPolarHBondContact O-CB 2.96Å; S805-E809 PolarHBondContact O-N 3.46Å; T806-E809 PolarHBondContact O-N 3.26Å; E809-Q813 VanDerWaalsContact O-CG 3.24Å; E809-Q813 WeakPolarHBondContact O-CG 3.34Å; E809-Q813 PolarHBondContact O-N 3.3Å; E809-R862 IonicContact OE1-NH2 3.64Å; E809-R862 IonicContact OE2-CZ 3.65Å; E809-R862 IonicContact OE2-NE 2.76Å; E809-R862 PolarHBondContact OE2-NE 3.41Å; E809-R862 IonicContact OE2-NH2 2.79Å; E809-R862 PolarHBondContact OE2-NH2 2.82Å; E809-Q867 WeakPolarHBondContact OE1-CG 2.99Å; E809-Q867 PolarHBondContact OE1-NE2 3.29Å
810	Y	91	Very high	88.2	Confident	21 Å²	21	29.7 Å²	29.7	8%	0.082	15%	0.153	C	C	.	.	H	α-helix	trans	-58.5	-54.5	177.7	174.6	-96.6	0	0	0	112.7	P512 T806 L807 N808 R814	P512-Y810 HydrophobicContact CB-CD2 3.77Å; P512-Y810 HydrophobicContact CB-CE2 3.47Å; P512-Y810 VanDerWaalsContact CB-CE2 3.47Å; P512-Y810 HydrophobicContact CG-CD2 3.38Å; P512-Y810 HydrophobicContact CG-CE2 3.64Å; P512-Y810 HydrophobicContact CG-CG 4.08Å; T806-Y810 WeakPolarHBondContact O-CB 3.37Å; T806-Y810 PolarHBondContact O-N 3.35Å; L807-Y810 WeakPolarHBondContact O-CB 3.39Å; L807-Y810 PolarHBondContact O-N 2.92Å; N808-Y810 VanDerWaalsContact C-N 3.3Å; N808-Y810 PolarHBondContact O-N 2.97Å; Y810-R814 PolarHBondContact O-NH1 2.89Å
811	Y	90.6	Very high	87.3	Confident	29 Å²	29	30.2 Å²	30.2	11%	0.114	16%	0.156	C	C	.	.	H	α-helix	trans	-71.6	-35.2	-176.9	-73.8	-72.2	0	0	0	113	T787 I791 L807 N808 Q813 R814 N815	T787-Y811 HydrophobicContact CG2-CD2 4.37Å; T787-Y811 HydrophobicContact CG2-CE2 3.52Å; I791-Y811 HydrophobicContact CD1-CD1 4.3Å; I791-Y811 HydrophobicContact CD1-CD2 3.78Å; I791-Y811 HydrophobicContact CD1-CE2 4.4Å; I791-Y811 HydrophobicContact CD1-CG 3.73Å; I791-Y811 HydrophobicContact CG1-CD1 3.84Å; I791-Y811 HydrophobicContact CG1-CD2 3.83Å; I791-Y811 HydrophobicContact CG1-CE1 4Å; I791-Y811 HydrophobicContact CG1-CE2 4.02Å; I791-Y811 HydrophobicContact CG1-CG 3.75Å; I791-Y811 HydrophobicContact CG2-CD1 4.18Å; L807-Y811 HydrophobicContact CD2-CE2 4.48Å; L807-Y811 WeakPolarHBondContact O-CD2 3.22Å; L807-Y811 PolarHBondContact O-N 3.2Å; N808-Y811 PolarHBondContact O-N 3.36Å; Y811-Q813 VanDerWaalsContact C-N 3.33Å; Y811-Q813 PolarHBondContact O-N 2.85Å; Y811-R814 PolarHBondContact O-N 2.87Å; Y811-N815 PolarHBondContact O-N 2.88Å
812	A	86.3	Confident	85.8	Confident	15 Å²	15	31.9 Å²	31.9	12%	0.124	17%	0.174	C	C	.	.	H	α-helix	trans	-65.3	-34.1	178.8	0	0	0	0	0	112.8	N808 R814 N815 C875	N808-A812 WeakPolarHBondContact O-CB 3.33Å; N808-A812 PolarHBondContact O-N 2.99Å; A812-R814 VanDerWaalsContact C-N 3.31Å; A812-R814 PolarHBondContact O-N 3.12Å; A812-N815 CarbonylContact O-C 3.58Å; A812-C875 PolarHBondContact O-SG 3.24Å
813	Q	85	Confident	84.4	Confident	55 Å²	55	34.2 Å²	34.2	26%	0.257	20%	0.199	S	C	.	.	H	α-helix	trans	-71.2	-25.5	177.2	-69.6	-62.8	-17.1	0	0	113.5	E809 Y811 C875	E809-Q813 VanDerWaalsContact O-CG 3.24Å; E809-Q813 WeakPolarHBondContact O-CG 3.34Å; E809-Q813 PolarHBondContact O-N 3.3Å; Y811-Q813 VanDerWaalsContact C-N 3.33Å; Y811-Q813 PolarHBondContact O-N 2.85Å; Q813-C875 PolarHBondContact O-SG 2.82Å
814	R	86.1	Confident	83.2	Confident	63 Å²	63	40.8 Å²	40.8	24%	0.238	23%	0.233	C	C	.	.	H	α-helix	trans	-91	-27.2	-179.1	-73	161.2	-174.3	73.9	1.8	112.7	Y810 Y811 A812 W865 L866 Y869	Y810-R814 PolarHBondContact O-NH1 2.89Å; Y811-R814 PolarHBondContact O-N 2.87Å; A812-R814 VanDerWaalsContact C-N 3.31Å; A812-R814 PolarHBondContact O-N 3.12Å; R814-W865 PolarHBondContact NH2-O 2.91Å; R814-L866 PolarHBondContact NH1-O 2.74Å; R814-L866 PolarHBondContact NH2-O 3.3Å; R814-Y869 PolarHBondContact NE-O 3.37Å; R814-Y869 PolarHBondContact NH2-O 2.75Å
815	N	85.5	Confident	82.4	Confident	49 Å²	49	42.2 Å²	42.2	26%	0.262	24%	0.241	S	C	.	.			trans	-133.5	101.6	179.8	-166.7	-24.3	0	0	0	111.1	L795 Y811 A812 K817 L818	L795-N815 VanDerWaalsContact CD1-ND2 3.34Å; L795-N815 WeakPolarHBondContact CD1-ND2 3.47Å; L795-N815 VanDerWaalsContact CD2-ND2 3.33Å; L795-N815 WeakPolarHBondContact CD2-ND2 3.36Å; Y811-N815 PolarHBondContact O-N 2.88Å; A812-N815 CarbonylContact O-C 3.58Å; N815-K817 PolarHBondContact O-N 2.88Å; N815-K817 VanDerWaalsContact OD1-CB 3.32Å; N815-K817 WeakPolarHBondContact OD1-CB 3.31Å; N815-K817 PolarHBondContact OD1-N 3.32Å; N815-K817 VanDerWaalsContact OD1-N 3.14Å; N815-L818 HydrophobicContact CB-CD1 3.99Å; N815-L818 HydrophobicContact CB-CG 4.25Å; N815-L818 WeakPolarHBondContact O-CB 3.31Å; N815-L818 PolarHBondContact O-N 3.27Å
816	C	81.4	Confident	81.9	Confident	48 Å²	48	43.4 Å²	43.4	32%	0.324	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-5	-176.6	-40.1	0	0	0	0	114.1	C875	C816-C875 WeakPolarHBondContact CA-SG 3.31Å; C816-C875 HydrophobicContact CB-CB 3.86Å; C816-C875 WeakPolarHBondContact CB-SG 3.31Å; C816-C875 PolarHBondContact N-SG 3.49Å; C816-C875 VanDerWaalsContact N-SG 3.43Å; C816-C875 WeakPolarHBondContact SG-CA 3.31Å; C816-C875 WeakPolarHBondContact SG-CB 3.47Å; C816-C875 CovalentContact SG-SG 2.04Å; C816-C875 PolarHBondContact SG-SG 3.27Å
817	K	82.9	Confident	81.7	Confident	136 Å²	136	48.6 Å²	48.6	59%	0.591	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-7.1	168.5	-59.9	-178.2	179.3	179.4	0	112.4	Q615 K616 L795 N815	Q615-K817 CarbonylContact C-O 3.56Å; Q615-K817 WeakPolarHBondContact CA-O 3.39Å; K616-K817 WeakPolarHBondContact CB-O 3.45Å; K616-K817 PolarHBondContact N-O 3.5Å; L795-K817 HydrophobicContact CD2-CB 4.01Å; N815-K817 PolarHBondContact O-N 2.88Å; N815-K817 VanDerWaalsContact OD1-CB 3.32Å; N815-K817 WeakPolarHBondContact OD1-CB 3.31Å; N815-K817 PolarHBondContact OD1-N 3.32Å; N815-K817 VanDerWaalsContact OD1-N 3.14Å
818	L	86.7	Confident	81.6	Confident	6 Å²	6	50.5 Å²	50.5	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	145.5	175.4	-61.2	172.6	0	0	0	109.6	I613 I614 I791 V794 L795 N815	I613-L818 HydrophobicContact CD1-CB 3.82Å; I613-L818 HydrophobicContact CD1-CD1 3.92Å; I613-L818 HydrophobicContact CD1-CD2 4.5Å; I613-L818 HydrophobicContact CD1-CG 4.3Å; I613-L818 HydrophobicContact CG1-CB 3.97Å; I613-L818 HydrophobicContact CG1-CD2 4.41Å; I614-L818 WeakPolarHBondContact O-CA 3.47Å; I791-L818 HydrophobicContact CD1-CD1 4.48Å; I791-L818 HydrophobicContact CG2-CD1 3.8Å; V794-L818 HydrophobicContact CB-CD2 4.23Å; V794-L818 HydrophobicContact CG1-CD2 3.55Å; L795-L818 HydrophobicContact CD2-CD2 3.62Å; L795-L818 HydrophobicContact CD2-CG 3.91Å; L795-L818 HydrophobicContact CG-CD2 3.98Å; N815-L818 HydrophobicContact CB-CD1 3.99Å; N815-L818 HydrophobicContact CB-CG 4.25Å; N815-L818 WeakPolarHBondContact O-CB 3.31Å; N815-L818 PolarHBondContact O-N 3.27Å
819	T	82	Confident	81.8	Confident	38 Å²	38	50.7 Å²	50.7	23%	0.233	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	123.5	175.3	-60.8	0	0	0	0	109.3	I614	I614-T819 PolarHBondContact N-O 3.37Å; I614-T819 VanDerWaalsContact N-O 3.11Å; I614-T819 PolarHBondContact O-N 3.04Å
820	P	82.5	Confident	82.2	Confident	71 Å²	71	49 Å²	49	46%	0.461	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	143.6	172.9	30.8	-33.3	0	0	0	110.1	V612 N808	V612-P820 CarbonylContact O-C 3.59Å; V612-P820 WeakPolarHBondContact O-CA 3.46Å; N808-P820 HydrophobicContact CB-CB 4.37Å
821	L	72.6	Confident	82.5	Confident	11 Å²	11	48 Å²	48	6%	0.058	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	139.9	-170.6	-172.3	151.9	0	0	0	110.9	V612 I614 A733 I735	V612-L821 HydrophobicContact CB-CB 4.32Å; V612-L821 HydrophobicContact CB-CD2 4.48Å; V612-L821 PolarHBondContact N-O 3.48Å; V612-L821 VanDerWaalsContact N-O 3.16Å; V612-L821 PolarHBondContact O-N 3.48Å; I614-L821 HydrophobicContact CD1-CD1 3.47Å; I614-L821 VanDerWaalsContact CD1-CD1 3.47Å; I614-L821 HydrophobicContact CG1-CD1 4Å; A733-L821 HydrophobicContact CB-CD1 4.02Å; I735-L821 HydrophobicContact CB-CD1 3.94Å; I735-L821 HydrophobicContact CB-CD2 4.42Å; I735-L821 HydrophobicContact CG2-CD1 4.12Å; I735-L821 HydrophobicContact CG2-CD2 3.72Å; I735-L821 WeakPolarHBondContact O-CD1 3.42Å; I735-L821 WeakPolarHBondContact O-CG 3.24Å
822	G	61.9	Low	82.8	Confident	36 Å²	36	46.7 Å²	46.7	37%	0.371	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	94.9	166.4	177.1	0	0	0	0	0	114.6
823	G	64	Low	83.2	Confident	53 Å²	53	46 Å²	46	55%	0.546	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	169.7	170.2	0	0	0	0	0	112.3	L825	G823-L825 PolarHBondContact O-N 3.36Å
824	L	65.3	Low	83.6	Confident	141 Å²	141	43.3 Å²	43.3	74%	0.738	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	102.1	175.7	-60.1	169	0	0	0	109.1	S609	S609-L824 VanDerWaalsContact OG-CA 3.29Å; S609-L824 WeakPolarHBondContact OG-CA 3.48Å; S609-L824 WeakPolarHBondContact OG-CB 3.19Å; S609-L824 WeakPolarHBondContact OG-CD2 3.45Å
825	L	74.9	Confident	83.6	Confident	43 Å²	43	41.2 Å²	41.2	23%	0.225	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	136.7	176.8	-59.9	175.6	0	0	0	109.6	S609 L610 V738 Y769 G823	S609-L825 WeakPolarHBondContact CB-O 3.36Å; L610-L825 HydrophobicContact CB-CB 4.38Å; L610-L825 PolarHBondContact N-O 2.89Å; L610-L825 PolarHBondContact O-N 3.34Å; V738-L825 HydrophobicContact CB-CD1 3.64Å; V738-L825 HydrophobicContact CG1-CD1 4.04Å; V738-L825 HydrophobicContact CG2-CD1 3.27Å; Y769-L825 HydrophobicContact CE1-CD1 4.48Å; G823-L825 PolarHBondContact O-N 3.36Å
826	D	81.5	Confident	83.2	Confident	50 Å²	50	43.2 Å²	43.2	27%	0.267	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53	75.5	175.8	-170.3	36.5	0	0	0	112.6	L610 F760 R828	L610-D826 HydrophobicContact CD1-CB 4.29Å; L610-D826 HydrophobicContact CG-CB 4.45Å; F760-D826 HydrophobicContact CD2-CB 4.41Å; F760-D826 WeakPolarHBondContact CD2-OD2 3.27Å; F760-D826 HydrophobicContact CE2-CB 3.78Å; F760-D826 WeakPolarHBondContact CE2-OD2 3.46Å; F760-D826 HydrophobicContact CZ-CB 3.95Å; D826-R828 PolarHBondContact O-N 2.85Å; D826-R828 IonicContact OD2-CZ 3.56Å; D826-R828 IonicContact OD2-NE 3.45Å; D826-R828 PolarHBondContact OD2-NE 2.51Å; D826-R828 IonicContact OD2-NH2 2.79Å; D826-R828 PolarHBondContact OD2-NH2 3.44Å
827	P	86.3	Confident	82.6	Confident	112 Å²	112	42.4 Å²	42.4	73%	0.727	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.6	128.8	-178.8	27.7	-34	0	0	0	110.4
828	R	89.6	Confident	82.1	Confident	46 Å²	46	36.8 Å²	36.8	17%	0.174	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	-176.8	179.4	-64.1	179.5	-174.9	-156.7	-9.8	109.9	T590 L608 S756 D826	T590-R828 HydrophobicContact CG2-CB 4.16Å; L608-R828 HydrophobicContact CD1-CB 3.74Å; L608-R828 HydrophobicContact CG-CB 4.13Å; L608-R828 PolarHBondContact N-O 3.43Å; L608-R828 CarbonylContact O-C 3.45Å; L608-R828 PolarHBondContact O-N 3.31Å; S756-R828 PolarHBondContact O-NH1 3.25Å; S756-R828 VanDerWaalsContact O-NH1 3.12Å; D826-R828 PolarHBondContact O-N 2.85Å; D826-R828 IonicContact OD2-CZ 3.56Å; D826-R828 IonicContact OD2-NE 3.45Å; D826-R828 PolarHBondContact OD2-NE 2.51Å; D826-R828 IonicContact OD2-NH2 2.79Å; D826-R828 PolarHBondContact OD2-NH2 3.44Å
829	G	93.8	Very high	81.3	Confident	6 Å²	6	37.5 Å²	37.5	6%	0.062	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	159.4	169.3	0	0	0	0	0	112.5	I591 M606	I591-G829 WeakPolarHBondContact CG1-O 3.23Å; I591-G829 PolarHBondContact N-O 3.45Å; M606-G829 CarbonylContact O-C 2.59Å; M606-G829 WeakPolarHBondContact O-CA 3.46Å
830	Y	96.6	Very high	81	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	133.6	165.6	-61.3	-45	0	0	0	109.9	F513 S588 F589 P604 F605 M606 L608 E804 T806	F513-Y830 HydrophobicContact CE1-CD2 4.08Å; F513-Y830 AromaticContact CE1-CE2 3.75Å; F513-Y830 HydrophobicContact CE1-CE2 3.75Å; F513-Y830 HydrophobicContact CE2-CE2 4.09Å; F513-Y830 HydrophobicContact CZ-CD2 4.28Å; F513-Y830 AromaticContact CZ-CE2 3.49Å; F513-Y830 HydrophobicContact CZ-CE2 3.49Å; F513-Y830 VanDerWaalsContact CZ-CE2 3.49Å; S588-Y830 VanDerWaalsContact C-CE1 3.47Å; S588-Y830 WeakPolarHBondContact O-CD1 3.34Å; S588-Y830 VanDerWaalsContact O-CE1 3.22Å; S588-Y830 WeakPolarHBondContact O-CE1 3.28Å; F589-Y830 WeakPolarHBondContact O-CA 3.26Å; P604-Y830 CarbonylContact C-O 3.55Å; P604-Y830 WeakPolarHBondContact CA-O 3.41Å; P604-Y830 WeakPolarHBondContact CB-O 3.3Å; F605-Y830 WeakPolarHBondContact CD1-O 3.39Å; F605-Y830 HydrophobicContact CE2-CD2 4.25Å; F605-Y830 HydrophobicContact CE2-CG 4.45Å; F605-Y830 HydrophobicContact CZ-CD2 4.45Å; F605-Y830 HydrophobicContact CZ-CG 4.28Å; F605-Y830 PolarHBondContact N-O 2.87Å; M606-Y830 HydrophobicContact CB-CD2 4.1Å; M606-Y830 HydrophobicContact CG-CD2 4.35Å; M606-Y830 PolarHBondContact O-N 2.86Å; M606-Y830 HydrophobicContact SD-CD2 4.1Å; M606-Y830 HydrophobicContact SD-CE2 4.2Å; L608-Y830 HydrophobicContact CD2-CD1 3.35Å; L608-Y830 HydrophobicContact CD2-CD2 3.8Å; L608-Y830 HydrophobicContact CD2-CE1 3.16Å; L608-Y830 HydrophobicContact CD2-CE2 3.61Å; L608-Y830 HydrophobicContact CD2-CG 3.67Å; E804-Y830 WeakPolarHBondContact OE2-CE1 3.42Å; E804-Y830 VanDerWaalsContact OE2-CZ 3.24Å; E804-Y830 PolarHBondContact OE2-OH 3.2Å; T806-Y830 HydrophobicContact CG2-CE2 4.18Å; T806-Y830 PolarHBondContact OG1-OH 3.28Å
831	G	96.5	Very high	81	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	22%	0.224	C	C	.	.			trans	-130.7	157	176.4	0	0	0	0	0	111.5	F589	F589-G831 PolarHBondContact O-N 3.15Å; F589-G831 VanDerWaalsContact O-N 3.09Å
832	I	97.3	Very high	81.6	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.005	23%	0.227	C	C	.	.			trans	-77.8	127.9	167.6	-59.4	175.5	0	0	0	107.9	L542 L584 A585 V586 F601 T602 F605 L834 I849	L542-I832 HydrophobicContact CD1-CD1 3.32Å; L584-I832 HydrophobicContact CB-CG2 4.41Å; L584-I832 HydrophobicContact CD2-CG2 4.18Å; A585-I832 WeakPolarHBondContact O-CA 3.43Å; V586-I832 HydrophobicContact CG2-CD1 4.35Å; V586-I832 HydrophobicContact CG2-CG1 4.23Å; V586-I832 HydrophobicContact CG2-CG2 3.84Å; F601-I832 WeakPolarHBondContact CA-O 3.26Å; T602-I832 HydrophobicContact CG2-CB 4.03Å; T602-I832 PolarHBondContact N-O 2.81Å; T602-I832 WeakPolarHBondContact OG1-CB 3.36Å; T602-I832 PolarHBondContact OG1-N 2.66Å; T602-I832 PolarHBondContact OG1-O 2.83Å; F605-I832 HydrophobicContact CD1-CG1 4.27Å; F605-I832 HydrophobicContact CE1-CG1 4.34Å; I832-L834 HydrophobicContact CG2-CD1 4.5Å; I832-L834 WeakPolarHBondContact O-CD1 3.48Å; I832-I849 HydrophobicContact CD1-CD1 4.2Å
833	G	95.5	Very high	82.6	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	145.2	177.6	0	0	0	0	0	112.4	L584 A585 D600	L584-G833 CarbonylContact C-O 3.55Å; L584-G833 WeakPolarHBondContact CA-O 3.34Å; A585-G833 PolarHBondContact N-O 3.23Å; A585-G833 PolarHBondContact O-N 2.92Å; D600-G833 CarbonylContact O-C 3.09Å; D600-G833 WeakPolarHBondContact O-CA 3.04Å
834	L	92.6	Very high	83.6	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	152.4	179.4	-62.5	96.5	0	0	0	110.6	L584 I599 D600 T602 I832 L841 R842 L845	L584-L834 HydrophobicContact CD2-CD2 3.62Å; L584-L834 HydrophobicContact CD2-CG 3.7Å; I599-L834 WeakPolarHBondContact CB-O 3.49Å; D600-L834 HydrophobicContact CB-CB 4.33Å; D600-L834 PolarHBondContact N-O 3.05Å; D600-L834 PolarHBondContact O-N 3.05Å; T602-L834 HydrophobicContact CG2-CD1 3.78Å; I832-L834 HydrophobicContact CG2-CD1 4.5Å; I832-L834 WeakPolarHBondContact O-CD1 3.48Å; L834-L841 HydrophobicContact CD2-CB 4.07Å; L834-L841 HydrophobicContact CD2-CD2 3.9Å; L834-L841 HydrophobicContact CD2-CG 3.85Å; L834-R842 HydrophobicContact CD1-CB 4.33Å; L834-R842 HydrophobicContact CD1-CG 4.37Å; L834-R842 HydrophobicContact CD2-CB 4.34Å; L834-L845 HydrophobicContact CD2-CD1 4.42Å
835	P	85.3	Confident	84.9	Confident	18 Å²	18	28.7 Å²	28.7	12%	0.117	17%	0.172	C	C	.	.			trans	-60.3	144.3	167.7	-19.8	33.2	0	0	0	110.9	L577 D583 G837	L577-P835 HydrophobicContact CD2-CG 4.24Å; D583-P835 WeakPolarHBondContact O-CD 2.93Å; P835-G837 PolarHBondContact O-N 2.98Å
836	I	78.6	Confident	85.8	Confident	91 Å²	91	27.1 Å²	27.1	47%	0.467	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	137.4	179.8	-72.2	177	0	0	0	111.3	V598 D600	V598-I836 WeakPolarHBondContact O-CD1 3.42Å; V598-I836 WeakPolarHBondContact O-CG1 3.36Å; D600-I836 WeakPolarHBondContact OD2-CA 3.44Å
837	G	67.4	Low	86.3	Confident	32 Å²	32	31.3 Å²	31.3	33%	0.33	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.7	1.7	171.2	0	0	0	0	0	113.9	D600 P835 N839	D600-G837 PolarHBondContact OD2-N 2.84Å; P835-G837 PolarHBondContact O-N 2.98Å; G837-N839 PolarHBondContact O-N 2.99Å; G837-N839 VanDerWaalsContact O-N 3.12Å
838	N	73.5	Confident	86.7	Confident	17 Å²	17	26.4 Å²	26.4	9%	0.091	15%	0.151	C	C	.	.			trans	-87.4	51	173.9	-159.5	5	0	0	0	111.7	G840 L841 R842	N838-G840 VanDerWaalsContact C-N 3.32Å; N838-G840 PolarHBondContact O-N 3.03Å; N838-L841 VanDerWaalsContact ND2-CD2 3.34Å; N838-L841 WeakPolarHBondContact ND2-CD2 3.21Å; N838-L841 PolarHBondContact O-N 2.9Å; N838-L841 WeakPolarHBondContact OD1-CB 2.92Å; N838-R842 PolarHBondContact O-N 3.47Å
839	N	69.3	Low	87.1	Confident	22 Å²	22	24.2 Å²	24.2	12%	0.118	14%	0.142	C	C	.	.	H	α-helix	trans	-58	-41.5	-172.6	-73	-34.7	0	0	0	112.5	E297 G837 L841 R842 D843	E297-N839 PolarHBondContact OE1-ND2 3.07Å; G837-N839 PolarHBondContact O-N 2.99Å; G837-N839 VanDerWaalsContact O-N 3.12Å; N839-L841 PolarHBondContact O-N 3.38Å; N839-R842 PolarHBondContact O-N 2.59Å; N839-R842 PolarHBondContact OD1-NH1 3.11Å; N839-R842 PolarHBondContact OD1-NH2 2.97Å; N839-R842 VanDerWaalsContact OD1-NH2 3.1Å; N839-D843 WeakPolarHBondContact O-CB 3.09Å; N839-D843 PolarHBondContact O-N 3.16Å
840	G	75.5	Confident	87.2	Confident	40 Å²	40	28.1 Å²	28.1	41%	0.412	16%	0.162	S	C	.	.	H	α-helix	trans	-60.6	-44.3	179	0	0	0	0	0	113.5	N838 L844	N838-G840 VanDerWaalsContact C-N 3.32Å; N838-G840 PolarHBondContact O-N 3.03Å; G840-L844 VanDerWaalsContact O-CB 3.3Å; G840-L844 WeakPolarHBondContact O-CB 3.5Å; G840-L844 PolarHBondContact O-N 3.13Å
841	L	82.2	Confident	87.1	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-71.5	-40.5	177	-175.2	60.4	0	0	0	111.5	F503 L584 L834 N838 N839 D843 L844 L845	F503-L841 HydrophobicContact CD1-CD2 4.18Å; F503-L841 HydrophobicContact CE1-CD2 3.56Å; F503-L841 HydrophobicContact CE2-CD1 4.07Å; F503-L841 HydrophobicContact CE2-CD2 4.31Å; F503-L841 HydrophobicContact CZ-CD1 3.8Å; F503-L841 HydrophobicContact CZ-CD2 3.63Å; F503-L841 HydrophobicContact CZ-CG 4.37Å; L584-L841 HydrophobicContact CD2-CD2 3.89Å; L834-L841 HydrophobicContact CD2-CB 4.07Å; L834-L841 HydrophobicContact CD2-CD2 3.9Å; L834-L841 HydrophobicContact CD2-CG 3.85Å; N838-L841 VanDerWaalsContact ND2-CD2 3.34Å; N838-L841 WeakPolarHBondContact ND2-CD2 3.21Å; N838-L841 PolarHBondContact O-N 2.9Å; N838-L841 WeakPolarHBondContact OD1-CB 2.92Å; N839-L841 PolarHBondContact O-N 3.38Å; L841-D843 VanDerWaalsContact C-N 3.3Å; L841-D843 PolarHBondContact O-N 3.41Å; L841-L844 HydrophobicContact CD1-CD2 4.47Å; L841-L844 PolarHBondContact O-N 3.49Å; L841-L845 HydrophobicContact CD1-CD1 4.18Å; L841-L845 HydrophobicContact CD1-CG 4.06Å; L841-L845 HydrophobicContact CG-CD1 4.02Å; L841-L845 HydrophobicContact CG-CG 4.31Å; L841-L845 WeakPolarHBondContact O-CB 3.42Å; L841-L845 VanDerWaalsContact O-CG 3.27Å; L841-L845 WeakPolarHBondContact O-CG 3.49Å; L841-L845 PolarHBondContact O-N 3.34Å
842	R	85.1	Confident	87.1	Confident	33 Å²	33	34 Å²	34	13%	0.125	19%	0.187	C	C	.	.	H	α-helix	trans	-56.4	-47.9	175.6	-177.6	-161.5	66.3	-142.6	-16.2	110.6	D600 F601 T602 L834 N838 N839 L845 S846	D600-R842 IonicContact OD1-NH1 3.58Å; F601-R842 VanDerWaalsContact O-CD 3.26Å; F601-R842 WeakPolarHBondContact O-CD 3.04Å; F601-R842 WeakPolarHBondContact O-CG 3.45Å; T602-R842 HydrophobicContact CG2-CG 4.45Å; L834-R842 HydrophobicContact CD1-CB 4.33Å; L834-R842 HydrophobicContact CD1-CG 4.37Å; L834-R842 HydrophobicContact CD2-CB 4.34Å; N838-R842 PolarHBondContact O-N 3.47Å; N839-R842 PolarHBondContact O-N 2.59Å; N839-R842 PolarHBondContact OD1-NH1 3.11Å; N839-R842 PolarHBondContact OD1-NH2 2.97Å; N839-R842 VanDerWaalsContact OD1-NH2 3.1Å; R842-L845 PolarHBondContact O-N 3.18Å; R842-S846 VanDerWaalsContact O-CB 3.25Å; R842-S846 WeakPolarHBondContact O-CB 3.4Å; R842-S846 PolarHBondContact O-N 2.04Å; R842-S846 PolarHBondContact O-OG 3.43Å
843	D	83.8	Confident	87	Confident	69 Å²	69	39.1 Å²	39.1	37%	0.369	21%	0.211	S	C	.	.	H	α-helix	trans	-71.2	-41.2	-174.8	-64.4	-11.5	0	0	0	110.6	N839 L841 L845 S846 E847	N839-D843 WeakPolarHBondContact O-CB 3.09Å; N839-D843 PolarHBondContact O-N 3.16Å; L841-D843 VanDerWaalsContact C-N 3.3Å; L841-D843 PolarHBondContact O-N 3.41Å; D843-L845 PolarHBondContact O-N 3Å; D843-S846 PolarHBondContact O-N 3.03Å; D843-E847 WeakPolarHBondContact O-CB 3.26Å; D843-E847 PolarHBondContact O-N 2.92Å
844	L	85.9	Confident	86.9	Confident	21 Å²	21	47.4 Å²	47.4	11%	0.11	25%	0.247	C	C	.	.	H	α-helix	trans	-58.4	-47.2	173.2	-178.6	69.8	0	0	0	112.6	N546 G840 L841 S848	N546-L844 HydrophobicContact CB-CD2 4.15Å; N546-L844 WeakPolarHBondContact OD1-CD1 3.3Å; N546-L844 WeakPolarHBondContact OD1-CG 3.4Å; G840-L844 VanDerWaalsContact O-CB 3.3Å; G840-L844 WeakPolarHBondContact O-CB 3.5Å; G840-L844 PolarHBondContact O-N 3.13Å; L841-L844 HydrophobicContact CD1-CD2 4.47Å; L841-L844 PolarHBondContact O-N 3.49Å; L844-S848 WeakPolarHBondContact O-CB 3.46Å; L844-S848 PolarHBondContact O-N 3.25Å; L844-S848 VanDerWaalsContact O-N 3.09Å; L844-S848 PolarHBondContact O-OG 3.12Å
845	L	92.5	Very high	87	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-68.5	-38.8	178.2	-68.6	179.5	0	0	0	111.5	L542 F548 L584 T602 L834 L841 R842 D843 S848 I849	L542-L845 HydrophobicContact CB-CD2 4.22Å; L542-L845 HydrophobicContact CD1-CD2 4.36Å; F548-L845 HydrophobicContact CE1-CD2 3.78Å; F548-L845 HydrophobicContact CZ-CD2 4.16Å; L584-L845 HydrophobicContact CD1-CD1 4.31Å; L584-L845 HydrophobicContact CD2-CD1 3.72Å; T602-L845 HydrophobicContact CG2-CB 3.75Å; T602-L845 HydrophobicContact CG2-CD1 4.41Å; L834-L845 HydrophobicContact CD2-CD1 4.42Å; L841-L845 HydrophobicContact CD1-CD1 4.18Å; L841-L845 HydrophobicContact CD1-CG 4.06Å; L841-L845 HydrophobicContact CG-CD1 4.02Å; L841-L845 HydrophobicContact CG-CG 4.31Å; L841-L845 WeakPolarHBondContact O-CB 3.42Å; L841-L845 VanDerWaalsContact O-CG 3.27Å; L841-L845 WeakPolarHBondContact O-CG 3.49Å; L841-L845 PolarHBondContact O-N 3.34Å; R842-L845 PolarHBondContact O-N 3.18Å; D843-L845 PolarHBondContact O-N 3Å; L845-S848 WeakPolarHBondContact O-CB 3.49Å; L845-S848 PolarHBondContact O-N 3.41Å; L845-I849 VanDerWaalsContact O-CG1 3.27Å; L845-I849 WeakPolarHBondContact O-CG1 3.28Å; L845-I849 PolarHBondContact O-N 3.03Å
846	S	93.9	Very high	87.4	Confident	11 Å²	11	56.7 Å²	56.7	8%	0.077	29%	0.291	C	S	.	.	H	α-helix	trans	-63.6	-45.5	177.3	-61.2	0	0	0	0	111.6	T602 T603 R842 D843 S848 I849 L850	T602-S846 WeakPolarHBondContact CA-OG 3.17Å; T602-S846 WeakPolarHBondContact CB-OG 3.3Å; T603-S846 PolarHBondContact N-OG 3.37Å; T603-S846 VanDerWaalsContact N-OG 3.12Å; T603-S846 WeakPolarHBondContact OG1-CA 3.47Å; T603-S846 WeakPolarHBondContact OG1-CB 3.21Å; T603-S846 PolarHBondContact OG1-O 3.44Å; R842-S846 VanDerWaalsContact O-CB 3.25Å; R842-S846 WeakPolarHBondContact O-CB 3.4Å; R842-S846 PolarHBondContact O-N 2.04Å; R842-S846 PolarHBondContact O-OG 3.43Å; D843-S846 PolarHBondContact O-N 3.03Å; S846-S848 VanDerWaalsContact C-N 3.28Å; S846-S848 PolarHBondContact O-N 3.47Å; S846-I849 PolarHBondContact O-N 3.06Å; S846-L850 WeakPolarHBondContact O-CG 3.3Å; S846-L850 PolarHBondContact O-N 3.18Å
847	E	92.2	Very high	88.2	Confident	138 Å²	138	53.7 Å²	53.7	65%	0.645	28%	0.278	S	S	*	.	H	α-helix	trans	-59	-41.9	174.1	-172.1	-175.4	167.8	0	0	111.4	D843 L850 K851	D843-E847 WeakPolarHBondContact O-CB 3.26Å; D843-E847 PolarHBondContact O-N 2.92Å; E847-L850 PolarHBondContact O-N 3.41Å; E847-K851 WeakPolarHBondContact O-CB 3.23Å; E847-K851 PolarHBondContact O-N 2.88Å
848	S	94.5	Very high	89.6	Confident	8 Å²	8	52.9 Å²	52.9	6%	0.056	27%	0.265	C	S	.	.	H	α-helix	trans	-64.3	-41.1	176.9	-62.8	0	0	0	0	112.8	L542 N546 L844 L845 S846 K851 L852	L542-S848 VanDerWaalsContact CD2-CB 3.44Å; N546-S848 PolarHBondContact ND2-OG 3.17Å; N546-S848 PolarHBondContact OD1-OG 2.96Å; L844-S848 WeakPolarHBondContact O-CB 3.46Å; L844-S848 PolarHBondContact O-N 3.25Å; L844-S848 VanDerWaalsContact O-N 3.09Å; L844-S848 PolarHBondContact O-OG 3.12Å; L845-S848 WeakPolarHBondContact O-CB 3.49Å; L845-S848 PolarHBondContact O-N 3.41Å; S846-S848 VanDerWaalsContact C-N 3.28Å; S846-S848 PolarHBondContact O-N 3.47Å; S848-K851 PolarHBondContact O-N 3.28Å; S848-L852 WeakPolarHBondContact O-CG 3.24Å; S848-L852 PolarHBondContact O-N 2.85Å
849	I	97.2	Very high	90.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62	-46	174.6	-70.8	165.1	0	0	0	110.2	L542 T602 F605 I832 L845 S846 K851 L852 Q853 L858	L542-I849 HydrophobicContact CD1-CG1 4.36Å; L542-I849 HydrophobicContact CD2-CG1 4.06Å; T602-I849 HydrophobicContact CG2-CD1 4.34Å; F605-I849 HydrophobicContact CB-CD1 4.37Å; F605-I849 HydrophobicContact CB-CG1 4.47Å; F605-I849 HydrophobicContact CB-CG2 3.8Å; I832-I849 HydrophobicContact CD1-CD1 4.2Å; L845-I849 VanDerWaalsContact O-CG1 3.27Å; L845-I849 WeakPolarHBondContact O-CG1 3.28Å; L845-I849 PolarHBondContact O-N 3.03Å; S846-I849 PolarHBondContact O-N 3.06Å; I849-K851 VanDerWaalsContact C-N 3.29Å; I849-K851 PolarHBondContact O-N 2.76Å; I849-L852 PolarHBondContact O-N 2.88Å; I849-Q853 PolarHBondContact O-N 2.89Å; I849-L858 HydrophobicContact CG2-CD1 4.27Å
850	L	96	Very high	91.8	Very high	89 Å²	89	60.9 Å²	60.9	47%	0.466	30%	0.3	S	S	.	.	H	α-helix	trans	-61.5	-37.7	177.2	-68.9	174.2	0	0	0	112	S846 E847 Q853 K854	S846-L850 WeakPolarHBondContact O-CG 3.3Å; S846-L850 PolarHBondContact O-N 3.18Å; E847-L850 PolarHBondContact O-N 3.41Å; L850-Q853 WeakPolarHBondContact O-CB 3.31Å; L850-Q853 PolarHBondContact O-N 2.94Å; L850-K854 WeakPolarHBondContact O-CB 3.29Å; L850-K854 PolarHBondContact O-N 3.46Å
851	K	94.6	Very high	92.7	Very high	118 Å²	118	59.2 Å²	59.2	51%	0.513	28%	0.281	S	S	.	.	H	α-helix	trans	-64.7	-44.4	173.5	-177.1	169	174.5	-177	0	112	M545 E847 S848 I849 Q853 K854 D855	M545-K851 HydrophobicContact CE-CB 4.04Å; M545-K851 HydrophobicContact CE-CD 3.74Å; M545-K851 HydrophobicContact CE-CG 4.01Å; E847-K851 WeakPolarHBondContact O-CB 3.23Å; E847-K851 PolarHBondContact O-N 2.88Å; S848-K851 PolarHBondContact O-N 3.28Å; I849-K851 VanDerWaalsContact C-N 3.29Å; I849-K851 PolarHBondContact O-N 2.76Å; K851-Q853 VanDerWaalsContact C-N 3.26Å; K851-Q853 PolarHBondContact O-N 2.74Å; K851-K854 WeakPolarHBondContact O-CB 3.26Å; K851-K854 PolarHBondContact O-N 3.22Å; K851-D855 WeakPolarHBondContact O-CB 3.43Å; K851-D855 VanDerWaalsContact O-CG 3.27Å; K851-D855 PolarHBondContact O-N 3.16Å
852	L	97	Very high	93.3	Very high	5 Å²	5	63.1 Å²	63.1	3%	0.026	30%	0.296	C	S	.	.	H	α-helix	trans	-63.3	-31.3	174.4	-69	172.4	0	0	0	112.9	L538 H541 L542 M545 S848 I849 Q856 T857 L858	L538-L852 HydrophobicContact CD1-CD1 3.72Å; H541-L852 HydrophobicContact CB-CD1 3.97Å; H541-L852 HydrophobicContact CB-CD2 4.22Å; L542-L852 HydrophobicContact CD2-CD1 4.05Å; M545-L852 HydrophobicContact CE-CG 4.39Å; M545-L852 HydrophobicContact SD-CD1 4.14Å; M545-L852 HydrophobicContact SD-CD2 3.64Å; M545-L852 HydrophobicContact SD-CG 3.75Å; S848-L852 WeakPolarHBondContact O-CG 3.24Å; S848-L852 PolarHBondContact O-N 2.85Å; I849-L852 PolarHBondContact O-N 2.88Å; L852-Q856 PolarHBondContact O-N 3.31Å; L852-T857 HydrophobicContact CD2-CG2 3.99Å; L852-T857 PolarHBondContact O-N 2.77Å; L852-L858 HydrophobicContact CB-CD1 4.37Å; L852-L858 HydrophobicContact CB-CD2 4.38Å; L852-L858 HydrophobicContact CB-CG 3.94Å; L852-L858 PolarHBondContact O-N 2.85Å
853	Q	94.1	Very high	93.6	Very high	108 Å²	108	64.8 Å²	64.8	51%	0.505	31%	0.305	S	S	.	.	H	α-helix	trans	-69	-47.5	173.3	-166.5	175.7	-12.4	0	0	111.3	I849 L850 K851 D855 Q856 L858	I849-Q853 PolarHBondContact O-N 2.89Å; L850-Q853 WeakPolarHBondContact O-CB 3.31Å; L850-Q853 PolarHBondContact O-N 2.94Å; K851-Q853 VanDerWaalsContact C-N 3.26Å; K851-Q853 PolarHBondContact O-N 2.74Å; Q853-D855 VanDerWaalsContact C-N 3.3Å; Q853-D855 PolarHBondContact O-N 2.85Å; Q853-Q856 PolarHBondContact O-N 3.29Å; Q853-Q856 VanDerWaalsContact O-N 3.09Å; Q853-L858 HydrophobicContact CB-CD1 3.76Å; Q853-L858 HydrophobicContact CG-CD1 4.32Å
854	K	93.5	Very high	94	Very high	175 Å²	175	66.8 Å²	66.8	76%	0.761	31%	0.308	S	S	*	.	H	α-helix	trans	-58	-42.6	176.3	-178.5	-174.9	176.3	-177.8	0	111.8	L850 K851 Q856	L850-K854 WeakPolarHBondContact O-CB 3.29Å; L850-K854 PolarHBondContact O-N 3.46Å; K851-K854 WeakPolarHBondContact O-CB 3.26Å; K851-K854 PolarHBondContact O-N 3.22Å; K854-Q856 PolarHBondContact O-N 3.13Å
855	D	94.4	Very high	94.4	Very high	82 Å²	82	66.7 Å²	66.7	44%	0.439	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-0.3	-179.6	-63.6	-16.4	0	0	0	113.1	K851 Q853 T857	K851-D855 WeakPolarHBondContact O-CB 3.43Å; K851-D855 VanDerWaalsContact O-CG 3.27Å; K851-D855 PolarHBondContact O-N 3.16Å; Q853-D855 VanDerWaalsContact C-N 3.3Å; Q853-D855 PolarHBondContact O-N 2.85Å; D855-T857 PolarHBondContact O-N 2.86Å; D855-T857 VanDerWaalsContact O-N 3.16Å
856	Q	94.1	Very high	94.3	Very high	130 Å²	130	66.6 Å²	66.6	61%	0.607	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	15.2	-176.2	-55.7	179.1	-8.8	0	0	114.5	L852 Q853 K854 L858 E859 K860	L852-Q856 PolarHBondContact O-N 3.31Å; Q853-Q856 PolarHBondContact O-N 3.29Å; Q853-Q856 VanDerWaalsContact O-N 3.09Å; K854-Q856 PolarHBondContact O-N 3.13Å; Q856-L858 VanDerWaalsContact C-N 3.34Å; Q856-L858 PolarHBondContact O-N 2.88Å; Q856-E859 PolarHBondContact O-N 3.24Å; Q856-K860 WeakPolarHBondContact O-CG 3.42Å; Q856-K860 PolarHBondContact O-N 3.4Å
857	T	96.2	Very high	94	Very high	29 Å²	29	69.1 Å²	69.1	18%	0.178	32%	0.316	C	S	.	.	H	α-helix	trans	-64	-41.3	177.5	-52.9	0	0	0	0	110.7	L852 D855 E859 K860 M861	L852-T857 HydrophobicContact CD2-CG2 3.99Å; L852-T857 PolarHBondContact O-N 2.77Å; D855-T857 PolarHBondContact O-N 2.86Å; D855-T857 VanDerWaalsContact O-N 3.16Å; T857-E859 VanDerWaalsContact C-N 3.31Å; T857-E859 PolarHBondContact O-N 3.08Å; T857-K860 PolarHBondContact O-N 2.93Å; T857-M861 HydrophobicContact CG2-CE 4.28Å; T857-M861 WeakPolarHBondContact O-CG 3.29Å; T857-M861 PolarHBondContact O-N 3.36Å
858	L	95.6	Very high	93.6	Very high	14 Å²	14	70.3 Å²	70.3	7%	0.073	32%	0.315	C	S	.	.	H	α-helix	trans	-59.5	-40.3	174.8	-67.8	174.3	0	0	0	112.3	F534 L538 F605 I849 L852 Q853 Q856 M861 R862	F534-L858 HydrophobicContact CZ-CD2 4.27Å; L538-L858 HydrophobicContact CD1-CD2 3.79Å; F605-L858 HydrophobicContact CB-CD2 4.42Å; I849-L858 HydrophobicContact CG2-CD1 4.27Å; L852-L858 HydrophobicContact CB-CD1 4.37Å; L852-L858 HydrophobicContact CB-CD2 4.38Å; L852-L858 HydrophobicContact CB-CG 3.94Å; L852-L858 PolarHBondContact O-N 2.85Å; Q853-L858 HydrophobicContact CB-CD1 3.76Å; Q853-L858 HydrophobicContact CG-CD1 4.32Å; Q856-L858 VanDerWaalsContact C-N 3.34Å; Q856-L858 PolarHBondContact O-N 2.88Å; L858-M861 HydrophobicContact CD2-CE 3.62Å; L858-M861 HydrophobicContact CG-CE 4.41Å; L858-M861 PolarHBondContact O-N 3.47Å; L858-R862 WeakPolarHBondContact O-CB 3.33Å; L858-R862 PolarHBondContact O-N 3.03Å
859	E	93.5	Very high	93.2	Very high	72 Å²	72	72.1 Å²	72.1	34%	0.336	32%	0.321	S	S	.	.	H	α-helix	trans	-71	-38.4	179.5	-178	56	-151.1	0	0	111.6	Q856 T857 R862 Q863	Q856-E859 PolarHBondContact O-N 3.24Å; T857-E859 VanDerWaalsContact C-N 3.31Å; T857-E859 PolarHBondContact O-N 3.08Å; E859-R862 WeakPolarHBondContact O-CB 3.39Å; E859-R862 PolarHBondContact O-N 3.19Å; E859-R862 IonicContact OE1-NH1 3.41Å; E859-R862 IonicContact OE2-NH1 3Å; E859-R862 PolarHBondContact OE2-NH1 3.25Å; E859-Q863 WeakPolarHBondContact O-CG 3.4Å; E859-Q863 PolarHBondContact O-N 3.44Å; E859-Q863 PolarHBondContact OE1-NE2 2.7Å
860	K	95.1	Very high	92.4	Very high	136 Å²	136	78.5 Å²	78.5	59%	0.591	36%	0.355	S	S	*	.	H	α-helix	trans	-60.7	-46.3	172	-71	171.5	-176	167.8	0	111.6	Q856 T857 R862 Q863 Y864	Q856-K860 WeakPolarHBondContact O-CG 3.42Å; Q856-K860 PolarHBondContact O-N 3.4Å; T857-K860 PolarHBondContact O-N 2.93Å; K860-R862 VanDerWaalsContact C-N 3.31Å; K860-R862 PolarHBondContact O-N 2.96Å; K860-Q863 PolarHBondContact O-N 3.34Å; K860-Y864 PolarHBondContact O-N 3.2Å
861	M	95.6	Very high	91.4	Very high	5 Å²	5	75.4 Å²	75.4	3%	0.025	34%	0.343	C	S	.	.	H	α-helix	trans	-61.9	-40.4	175.4	-71.6	-172.3	-63.3	0	0	111.1	F534 E537 L538 T857 L858 Y864 W865	F534-M861 HydrophobicContact CD2-CB 3.9Å; F534-M861 HydrophobicContact CE2-CB 3.59Å; F534-M861 HydrophobicContact CZ-CB 4.38Å; F534-M861 HydrophobicContact CZ-CE 4.49Å; E537-M861 HydrophobicContact CB-SD 4.07Å; E537-M861 HydrophobicContact CG-CG 4.48Å; E537-M861 HydrophobicContact CG-SD 3.69Å; L538-M861 HydrophobicContact CD1-CE 4.49Å; T857-M861 HydrophobicContact CG2-CE 4.28Å; T857-M861 WeakPolarHBondContact O-CG 3.29Å; T857-M861 PolarHBondContact O-N 3.36Å; L858-M861 HydrophobicContact CD2-CE 3.62Å; L858-M861 HydrophobicContact CG-CE 4.41Å; L858-M861 PolarHBondContact O-N 3.47Å; M861-Y864 PolarHBondContact O-N 3.39Å; M861-W865 VanDerWaalsContact O-CD1 3.23Å; M861-W865 PolarHBondContact O-N 3.44Å
862	R	94	Very high	90.1	Very high	82 Å²	82	75.6 Å²	75.6	31%	0.309	36%	0.359	S	S	.	.	H	α-helix	trans	-61.3	-49	178.4	-179	-172.6	167.7	-148.7	-0.7	111	F534 M606 E809 L858 E859 K860 Y864 L866	F534-R862 HydrophobicContact CE2-CB 4.2Å; M606-R862 HydrophobicContact CE-CB 4.39Å; M606-R862 HydrophobicContact CE-CG 4.26Å; E809-R862 IonicContact OE1-NH2 3.64Å; E809-R862 IonicContact OE2-CZ 3.65Å; E809-R862 IonicContact OE2-NE 2.76Å; E809-R862 PolarHBondContact OE2-NE 3.41Å; E809-R862 IonicContact OE2-NH2 2.79Å; E809-R862 PolarHBondContact OE2-NH2 2.82Å; L858-R862 WeakPolarHBondContact O-CB 3.33Å; L858-R862 PolarHBondContact O-N 3.03Å; E859-R862 WeakPolarHBondContact O-CB 3.39Å; E859-R862 PolarHBondContact O-N 3.19Å; E859-R862 IonicContact OE1-NH1 3.41Å; E859-R862 IonicContact OE2-NH1 3Å; E859-R862 PolarHBondContact OE2-NH1 3.25Å; K860-R862 VanDerWaalsContact C-N 3.31Å; K860-R862 PolarHBondContact O-N 2.96Å; R862-Y864 VanDerWaalsContact C-N 3.28Å; R862-Y864 PolarHBondContact O-N 2.85Å; R862-L866 HydrophobicContact CG-CD1 4.01Å; R862-L866 HydrophobicContact CG-CD2 4.06Å; R862-L866 HydrophobicContact CG-CG 4.44Å; R862-L866 VanDerWaalsContact O-CB 3.31Å; R862-L866 WeakPolarHBondContact O-CB 3.28Å; R862-L866 PolarHBondContact O-N 3.17Å
863	Q	91.2	Very high	88.6	Confident	67 Å²	67	78 Å²	78	31%	0.313	37%	0.373	S	S	.	.	I	π-helix	trans	-59.9	-39.6	177	-71.4	177.7	13.4	0	0	112	E859 K860 Q867 R868	E859-Q863 WeakPolarHBondContact O-CG 3.4Å; E859-Q863 PolarHBondContact O-N 3.44Å; E859-Q863 PolarHBondContact OE1-NE2 2.7Å; K860-Q863 PolarHBondContact O-N 3.34Å; Q863-Q867 VanDerWaalsContact O-CB 3.31Å; Q863-Q867 WeakPolarHBondContact O-CB 3.49Å; Q863-Q867 PolarHBondContact O-N 2.87Å; Q863-R868 PolarHBondContact O-N 2.88Å
864	Y	93.2	Very high	87.1	Confident	112 Å²	112	74.8 Å²	74.8	44%	0.439	36%	0.362	S	S	.	.	I	π-helix	trans	-66.6	-60.3	176.7	-179.3	-103.1	0	0	0	111.8	K860 M861 R862 R868 Y869	K860-Y864 PolarHBondContact O-N 3.2Å; M861-Y864 PolarHBondContact O-N 3.39Å; R862-Y864 VanDerWaalsContact C-N 3.28Å; R862-Y864 PolarHBondContact O-N 2.85Å; Y864-R868 CarbonylContact O-C 3.54Å; Y864-R868 WeakPolarHBondContact O-CA 3.23Å; Y864-R868 PolarHBondContact O-N 2.91Å; Y864-Y869 HydrophobicContact CE1-CD2 4.22Å; Y864-Y869 WeakPolarHBondContact O-CB 3.36Å; Y864-Y869 PolarHBondContact O-N 2.85Å
865	W	94.2	Very high	85.8	Confident	18 Å²	18	67.3 Å²	67.3	7%	0.068	33%	0.332	C	S	.	.	I	π-helix	trans	-71.5	-43	-172.1	-71.4	107.6	0	0	0	113.7	P512 I515 F534 E537 R814 M861 Y869	P512-W865 HydrophobicContact CB-CB 4.34Å; P512-W865 HydrophobicContact CB-CE3 4.47Å; I515-W865 HydrophobicContact CD1-CZ3 4.14Å; F534-W865 HydrophobicContact CB-CB 4Å; F534-W865 HydrophobicContact CB-CD2 4.48Å; F534-W865 HydrophobicContact CB-CG 3.8Å; F534-W865 HydrophobicContact CD2-CB 4.22Å; F534-W865 AromaticContact CD2-CD1 3.82Å; F534-W865 HydrophobicContact CD2-CG 4.3Å; E537-W865 PolarHBondContact OE2-NE1 3.34Å; R814-W865 PolarHBondContact NH2-O 2.91Å; M861-W865 VanDerWaalsContact O-CD1 3.23Å; M861-W865 PolarHBondContact O-N 3.44Å; W865-Y869 HydrophobicContact CE3-CD1 4.08Å; W865-Y869 AromaticContact CE3-CD2 3.92Å; W865-Y869 HydrophobicContact CE3-CD2 3.92Å; W865-Y869 HydrophobicContact CE3-CE2 4.39Å; W865-Y869 AromaticContact CE3-CG 3.75Å; W865-Y869 HydrophobicContact CE3-CG 3.75Å; W865-Y869 HydrophobicContact CH2-CD2 4.35Å; W865-Y869 HydrophobicContact CH2-CE2 4.3Å; W865-Y869 HydrophobicContact CZ3-CD1 4.13Å; W865-Y869 AromaticContact CZ3-CD2 3.54Å; W865-Y869 HydrophobicContact CZ3-CD2 3.54Å; W865-Y869 HydrophobicContact CZ3-CE1 4.2Å; W865-Y869 AromaticContact CZ3-CE2 3.6Å; W865-Y869 HydrophobicContact CZ3-CE2 3.6Å; W865-Y869 AromaticContact CZ3-CG 3.82Å; W865-Y869 HydrophobicContact CZ3-CG 3.82Å; W865-Y869 AromaticContact CZ3-CZ 3.94Å
866	L	91	Very high	84.2	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	34%	0.342	C	S	.	.	I	π-helix	trans	-80.3	-39	-176.3	-74.4	72.1	0	0	0	111.4	F534 M606 T806 R814 R862	F534-L866 HydrophobicContact CD2-CD1 4.36Å; M606-L866 HydrophobicContact CE-CD1 4.07Å; T806-L866 HydrophobicContact CG2-CD2 4.47Å; R814-L866 PolarHBondContact NH1-O 2.74Å; R814-L866 PolarHBondContact NH2-O 3.3Å; R862-L866 HydrophobicContact CG-CD1 4.01Å; R862-L866 HydrophobicContact CG-CD2 4.06Å; R862-L866 HydrophobicContact CG-CG 4.44Å; R862-L866 VanDerWaalsContact O-CB 3.31Å; R862-L866 WeakPolarHBondContact O-CB 3.28Å; R862-L866 PolarHBondContact O-N 3.17Å
867	Q	86.3	Confident	82.2	Confident	63 Å²	63	70.1 Å²	70.1	29%	0.294	34%	0.339	S	S	.	.	I	π-helix	trans	-103.6	-34.9	-170.7	-53	173.5	0.4	0	0	114.6	E809 Q863 A871	E809-Q867 WeakPolarHBondContact OE1-CG 2.99Å; E809-Q867 PolarHBondContact OE1-NE2 3.29Å; Q863-Q867 VanDerWaalsContact O-CB 3.31Å; Q863-Q867 WeakPolarHBondContact O-CB 3.49Å; Q863-Q867 PolarHBondContact O-N 2.87Å; Q867-A871 WeakPolarHBondContact O-CB 3.44Å
868	R	84	Confident	80.1	Confident	164 Å²	164	74.5 Å²	74.5	62%	0.619	36%	0.358	S	S	*	.	I	π-helix	trans	-106.1	-38.7	-170.7	-63.4	179.5	-177.4	172	2.8	114.6	Q863 Y864 N870 A871	Q863-R868 PolarHBondContact O-N 2.88Å; Y864-R868 CarbonylContact O-C 3.54Å; Y864-R868 WeakPolarHBondContact O-CA 3.23Å; Y864-R868 PolarHBondContact O-N 2.91Å; R868-N870 PolarHBondContact O-N 3.39Å; R868-A871 WeakPolarHBondContact O-CB 3.45Å; R868-A871 PolarHBondContact O-N 3.35Å
869	Y	85.6	Confident	77.6	Confident	45 Å²	45	74.8 Å²	74.8	18%	0.176	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	120.3	-172.6	174.9	-96.8	0	0	0	110.9	I515 E517 R814 Y864 W865 A871	I515-Y869 HydrophobicContact CD1-CD1 4.45Å; I515-Y869 HydrophobicContact CD1-CE1 3.56Å; E517-Y869 PolarHBondContact OE1-OH 3.33Å; R814-Y869 PolarHBondContact NE-O 3.37Å; R814-Y869 PolarHBondContact NH2-O 2.75Å; Y864-Y869 HydrophobicContact CE1-CD2 4.22Å; Y864-Y869 WeakPolarHBondContact O-CB 3.36Å; Y864-Y869 PolarHBondContact O-N 2.85Å; W865-Y869 HydrophobicContact CE3-CD1 4.08Å; W865-Y869 AromaticContact CE3-CD2 3.92Å; W865-Y869 HydrophobicContact CE3-CD2 3.92Å; W865-Y869 HydrophobicContact CE3-CE2 4.39Å; W865-Y869 AromaticContact CE3-CG 3.75Å; W865-Y869 HydrophobicContact CE3-CG 3.75Å; W865-Y869 HydrophobicContact CH2-CD2 4.35Å; W865-Y869 HydrophobicContact CH2-CE2 4.3Å; W865-Y869 HydrophobicContact CZ3-CD1 4.13Å; W865-Y869 AromaticContact CZ3-CD2 3.54Å; W865-Y869 HydrophobicContact CZ3-CD2 3.54Å; W865-Y869 HydrophobicContact CZ3-CE1 4.2Å; W865-Y869 AromaticContact CZ3-CE2 3.6Å; W865-Y869 HydrophobicContact CZ3-CE2 3.6Å; W865-Y869 AromaticContact CZ3-CG 3.82Å; W865-Y869 HydrophobicContact CZ3-CG 3.82Å; W865-Y869 AromaticContact CZ3-CZ 3.94Å; Y869-A871 PolarHBondContact O-N 3Å; Y869-A871 VanDerWaalsContact O-N 3.11Å
870	N	81	Confident	75	Confident	134 Å²	134	76 Å²	76	72%	0.717	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	23	-177.1	-155	17.5	0	0	0	114.6	R868	R868-N870 PolarHBondContact O-N 3.39Å
871	A	75.4	Confident	72.3	Confident	25 Å²	25	76.8 Å²	76.8	21%	0.207	38%	0.383	C	S	.	.			trans	-92.7	111	168.6	0	0	0	0	0	108.3	Q867 R868 Y869	Q867-A871 WeakPolarHBondContact O-CB 3.44Å; R868-A871 WeakPolarHBondContact O-CB 3.45Å; R868-A871 PolarHBondContact O-N 3.35Å; Y869-A871 PolarHBondContact O-N 3Å; Y869-A871 VanDerWaalsContact O-N 3.11Å
872	S	67.7	Low	69.5	Low	121 Å²	121	80.2 Å²	80.2	85%	0.846	40%	0.404	S	S	*	.	S	Bend	trans	-69.9	-31.9	-177.5	50.7	0	0	0	0	112.8
873	V	65.7	Low	66.5	Low	55 Å²	55	80.1 Å²	80.1	33%	0.333	41%	0.41	S	S	.	.	S	Bend	trans	-152.1	130.4	173.5	-178.4	0	0	0	0	108.6	C875 L877 Q878	V873-C875 PolarHBondContact O-N 3.42Å; V873-L877 HydrophobicContact CG1-CB 3.99Å; V873-Q878 HydrophobicContact CG1-CB 4.32Å
874	P	61.8	Low	64.1	Low	42 Å²	42	81.1 Å²	81.1	27%	0.273	42%	0.417	S	S	.	.			trans	-58.3	131.4	171.1	-19.6	27.5	0	0	0	111.3	Y876 L877 Q878	P874-Y876 HydrophobicContact CB-CD1 3.44Å; P874-Y876 VanDerWaalsContact CB-CD1 3.44Å; P874-Y876 HydrophobicContact CB-CE1 3.12Å; P874-Y876 HydrophobicContact CB-CG 4.3Å; P874-Y876 HydrophobicContact CG-CE1 3.85Å; P874-Y876 PolarHBondContact O-N 3.4Å; P874-L877 HydrophobicContact CB-CD1 4.46Å; P874-L877 HydrophobicContact CG-CD1 3.98Å; P874-L877 WeakPolarHBondContact O-CB 3.46Å; P874-L877 PolarHBondContact O-N 3.43Å; P874-Q878 PolarHBondContact O-N 3.42Å
875	C	67	Low	61.8	Low	18 Å²	18	76.3 Å²	76.3	12%	0.122	40%	0.399	C	S	.	.	H	α-helix	trans	-56	-28.6	-176.6	-77.3	0	0	0	0	113.9	A812 Q813 C816 V873 L877 Q878 S879	A812-C875 PolarHBondContact O-SG 3.24Å; Q813-C875 PolarHBondContact O-SG 2.82Å; C816-C875 WeakPolarHBondContact CA-SG 3.31Å; C816-C875 HydrophobicContact CB-CB 3.86Å; C816-C875 WeakPolarHBondContact CB-SG 3.31Å; C816-C875 PolarHBondContact N-SG 3.49Å; C816-C875 VanDerWaalsContact N-SG 3.43Å; C816-C875 WeakPolarHBondContact SG-CA 3.31Å; C816-C875 WeakPolarHBondContact SG-CB 3.47Å; C816-C875 CovalentContact SG-SG 2.04Å; C816-C875 PolarHBondContact SG-SG 3.27Å; V873-C875 PolarHBondContact O-N 3.42Å; C875-L877 VanDerWaalsContact C-N 3.27Å; C875-L877 PolarHBondContact O-N 3.28Å; C875-Q878 PolarHBondContact O-N 3.08Å; C875-S879 WeakPolarHBondContact O-CB 3.45Å; C875-S879 PolarHBondContact O-N 3.18Å; C875-S879 PolarHBondContact O-OG 3.33Å
876	Y	60.4	Low	59.2	Low	165 Å²	165	77.3 Å²	77.3	65%	0.647	41%	0.409	S	S	*	.	H	α-helix	trans	-67.2	-23.7	175.3	72.7	-96.9	0	0	0	113.9	P874	P874-Y876 HydrophobicContact CB-CD1 3.44Å; P874-Y876 VanDerWaalsContact CB-CD1 3.44Å; P874-Y876 HydrophobicContact CB-CE1 3.12Å; P874-Y876 HydrophobicContact CB-CG 4.3Å; P874-Y876 HydrophobicContact CG-CE1 3.85Å; P874-Y876 PolarHBondContact O-N 3.4Å
877	L	52.7	Low	57.4	Low	106 Å²	106	80.8 Å²	80.8	56%	0.555	42%	0.422	S	S	*	.	H	α-helix	trans	-86	-32.9	172.6	-68.6	175.3	0	0	0	111.6	V873 P874 C875 S879	V873-L877 HydrophobicContact CG1-CB 3.99Å; P874-L877 HydrophobicContact CB-CD1 4.46Å; P874-L877 HydrophobicContact CG-CD1 3.98Å; P874-L877 WeakPolarHBondContact O-CB 3.46Å; P874-L877 PolarHBondContact O-N 3.43Å; C875-L877 VanDerWaalsContact C-N 3.27Å; C875-L877 PolarHBondContact O-N 3.28Å; L877-S879 VanDerWaalsContact C-N 3.3Å
878	Q	51	Low	56	Low	121 Å²	121	81.2 Å²	81.2	57%	0.565	43%	0.432	S	S	*	.	H	α-helix	trans	-71.5	-27.9	176.7	-155.6	108.3	19.4	0	0	111.8	V873 P874 C875 S880	V873-Q878 HydrophobicContact CG1-CB 4.32Å; P874-Q878 PolarHBondContact O-N 3.42Å; C875-Q878 PolarHBondContact O-N 3.08Å; Q878-S880 PolarHBondContact O-N 2.83Å
879	S	43.1	Very low	55.2	Low	20 Å²	20	77 Å²	77	14%	0.14	42%	0.418	C	S	.	.			trans	-94	48	-177.6	70	0	0	0	0	113.6	C875 L877 H881 N883	C875-S879 WeakPolarHBondContact O-CB 3.45Å; C875-S879 PolarHBondContact O-N 3.18Å; C875-S879 PolarHBondContact O-OG 3.33Å; L877-S879 VanDerWaalsContact C-N 3.3Å; S879-H881 PolarHBondContact O-N 3.35Å; S879-N883 WeakPolarHBondContact CB-OD1 3.34Å; S879-N883 PolarHBondContact O-ND2 2.89Å; S879-N883 VanDerWaalsContact O-ND2 3.11Å; S879-N883 PolarHBondContact O-OD1 3.1Å; S879-N883 PolarHBondContact OG-OD1 3.46Å
880	S	40.3	Very low	54.8	Low	97 Å²	97	76.4 Å²	76.4	68%	0.678	42%	0.418	S	S	*	.	S	Bend	trans	-69.7	-8.2	159.3	58.7	0	0	0	0	112.6	Q878	Q878-S880 PolarHBondContact O-N 2.83Å
881	H	37.4	Very low	54.8	Low	153 Å²	153	72.7 Å²	72.7	71%	0.708	40%	0.4	S	S	*	.	S	Bend	trans	-129.2	124.5	168.4	-66.9	-80.6	0	0	0	109.6	S879	S879-H881 PolarHBondContact O-N 3.35Å
882	T	35.9	Very low	55.1	Low	76 Å²	76	74.3 Å²	74.3	47%	0.466	41%	0.405	S	S	.	.			trans	83.5	41.9	175	79	0	0	0	0	117.2	K616 L884	K616-T882 PolarHBondContact NZ-O 3.09Å; T882-L884 HydrophobicContact CG2-CD1 4.5Å; T882-L884 PolarHBondContact O-N 3.34Å
883	N	32.7	Very low	55.8	Low	81 Å²	81	72.2 Å²	72.2	43%	0.433	40%	0.395	S	S	.	.			trans	-75	87	144.6	-59.9	-29.9	0	0	0	105.3	S879 P885	S879-N883 WeakPolarHBondContact CB-OD1 3.34Å; S879-N883 PolarHBondContact O-ND2 2.89Å; S879-N883 VanDerWaalsContact O-ND2 3.11Å; S879-N883 PolarHBondContact O-OD1 3.1Å; S879-N883 PolarHBondContact OG-OD1 3.46Å; N883-P885 WeakPolarHBondContact O-CD 3.25Å; N883-P885 WeakPolarHBondContact O-CG 3.31Å
884	L	39.8	Very low	56.5	Low	88 Å²	88	76 Å²	76	46%	0.461	41%	0.407	S	S	.	.			trans	-117.4	103.6	-174.7	-98.7	165	0	0	0	111.8	F725 T882	F725-L884 HydrophobicContact CZ-CD2 4.36Å; T882-L884 HydrophobicContact CG2-CD1 4.5Å; T882-L884 PolarHBondContact O-N 3.34Å
885	P	46.1	Very low	57.6	Low	11 Å²	11	74.5 Å²	74.5	7%	0.071	40%	0.396	C	S	.	.			trans	-128.2	132	-158.4	23.3	7.5	0	0	0	109.4	D729 R730 M731 N883 R887	D729-P885 VanDerWaalsContact CA-CG 3.44Å; D729-P885 HydrophobicContact CB-CG 3.62Å; D729-P885 WeakPolarHBondContact OD1-CD 3.15Å; R730-P885 PolarHBondContact N-O 3.29Å; R730-P885 CarbonylContact O-C 3.51Å; R730-P885 WeakPolarHBondContact O-CA 3.48Å; R730-P885 WeakPolarHBondContact O-CB 3.39Å; R730-P885 VanDerWaalsContact O-O 3.11Å; M731-P885 HydrophobicContact CB-CB 4.01Å; M731-P885 HydrophobicContact CG-CB 3.55Å; N883-P885 WeakPolarHBondContact O-CD 3.25Å; N883-P885 WeakPolarHBondContact O-CG 3.31Å; P885-R887 PolarHBondContact O-N 3.01Å
886	S	39	Very low	58.5	Low	39 Å²	39	76 Å²	76	27%	0.273	41%	0.407	S	S	.	.			trans	35.8	74.7	166.8	83.7	0	0	0	0	116.4	R730 Q732 S888	R730-S886 WeakPolarHBondContact CB-OG 3.49Å; R730-S886 WeakPolarHBondContact O-CA 3.42Å; R730-S886 WeakPolarHBondContact O-CB 3.47Å; R730-S886 PolarHBondContact O-N 2.95Å; R730-S886 PolarHBondContact O-OG 3.04Å; Q732-S886 VanDerWaalsContact N-N 3.14Å; S886-S888 VanDerWaalsContact C-N 3.32Å; S886-S888 PolarHBondContact O-N 3.2Å
887	R	52.6	Low	59.8	Low	72 Å²	72	72.3 Å²	72.3	27%	0.272	41%	0.405	S	S	.	.			trans	-72.8	86	166.4	-172.9	-177.5	-73.8	-179.2	-3	108.7	A627 F725 P885 K889	A627-R887 HydrophobicContact CB-CG 4.39Å; A627-R887 VanDerWaalsContact CB-NE 3.26Å; F725-R887 HydrophobicContact CD2-CB 4.28Å; F725-R887 HydrophobicContact CD2-CG 3.72Å; F725-R887 HydrophobicContact CE2-CB 3.77Å; F725-R887 HydrophobicContact CE2-CG 3.46Å; F725-R887 VanDerWaalsContact CE2-CG 3.46Å; F725-R887 HydrophobicContact CZ-CG 4.43Å; P885-R887 PolarHBondContact O-N 3.01Å; R887-K889 HydrophobicContact CG-CG 3.86Å; R887-K889 PolarHBondContact O-N 3.47Å
888	S	56.1	Low	61.7	Low	72 Å²	72	68 Å²	68	50%	0.503	39%	0.385	S	S	.	.			trans	-67.4	84.7	166.5	71	0	0	0	0	109.1	S886	S886-S888 VanDerWaalsContact C-N 3.32Å; S886-S888 PolarHBondContact O-N 3.2Å
889	K	68.2	Low	63.7	Low	75 Å²	75	64 Å²	64	33%	0.326	37%	0.366	S	S	.	.			trans	-58.7	141.4	174.3	-54.3	-169.4	-179.7	171.8	0	108.3	A627 R887 T891	A627-K889 WeakPolarHBondContact O-CG 3.37Å; R887-K889 HydrophobicContact CG-CG 3.86Å; R887-K889 PolarHBondContact O-N 3.47Å; K889-T891 PolarHBondContact O-N 3.39Å
890	L	76.3	Confident	66.1	Low	33 Å²	33	68.3 Å²	68.3	17%	0.173	39%	0.386	C	S	.	.	B	Isolated β-bridge	trans	-63.9	111.4	169.1	-84.4	150.4	0	0	0	108.1	P628 L629 S630 V633 N721 K894 M895	P628-L890 PolarHBondContact O-N 3.28Å; L629-L890 HydrophobicContact CD2-CB 3.97Å; L629-L890 HydrophobicContact CD2-CD1 4.14Å; S630-L890 PolarHBondContact N-O 3.22Å; S630-L890 VanDerWaalsContact N-O 3.1Å; V633-L890 WeakPolarHBondContact CG2-O 2.91Å; N721-L890 HydrophobicContact CB-CD1 3.51Å; L890-K894 HydrophobicContact CD2-CB 4.36Å; L890-M895 HydrophobicContact CB-CE 4.31Å; L890-M895 HydrophobicContact CB-CG 4.41Å; L890-M895 HydrophobicContact CB-SD 4.15Å; L890-M895 HydrophobicContact CD1-CE 3.68Å; L890-M895 HydrophobicContact CD2-CE 4Å; L890-M895 HydrophobicContact CD2-CG 4.08Å; L890-M895 HydrophobicContact CD2-SD 4.49Å; L890-M895 HydrophobicContact CG-CE 4.21Å
891	T	82.6	Confident	68.5	Low	56 Å²	56	65.2 Å²	65.2	34%	0.344	37%	0.37	S	S	.	.			trans	-84	158.9	177.8	56.5	0	0	0	0	110.8	K889 A893 K894 M895	K889-T891 PolarHBondContact O-N 3.39Å; T891-A893 PolarHBondContact O-N 3.06Å; T891-K894 PolarHBondContact O-N 3.37Å; T891-M895 PolarHBondContact O-N 3.33Å
892	L	81.6	Confident	71.3	Confident	60 Å²	60	58.4 Å²	58.4	31%	0.314	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-34.3	179.4	-174.9	63.8	0	0	0	112	V633 K894 M895 S896 F899	V633-L892 HydrophobicContact CG2-CB 4.17Å; V633-L892 HydrophobicContact CG2-CD1 4.47Å; L892-K894 VanDerWaalsContact C-N 3.35Å; L892-K894 PolarHBondContact O-N 3.4Å; L892-M895 CarbonylContact O-C 3.55Å; L892-M895 PolarHBondContact O-N 3.28Å; L892-S896 WeakPolarHBondContact O-CA 3.26Å; L892-S896 PolarHBondContact O-N 3Å; L892-F899 HydrophobicContact CD1-CD2 3.64Å; L892-F899 HydrophobicContact CD1-CE2 3.61Å; L892-F899 HydrophobicContact CD1-CG 4.37Å; L892-F899 HydrophobicContact CD1-CZ 4.31Å
893	A	80.7	Confident	74.1	Confident	76 Å²	76	56.8 Å²	56.8	63%	0.628	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-43.8	175.6	0	0	0	0	0	112.5	T891 S896	T891-A893 PolarHBondContact O-N 3.06Å; A893-S896 WeakPolarHBondContact O-CB 3.35Å; A893-S896 PolarHBondContact O-OG 3.33Å
894	K	81.4	Confident	77	Confident	136 Å²	136	56.3 Å²	56.3	59%	0.591	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-30.6	179.3	-68.2	-175.7	178.8	-178.6	0	112.7	L890 T891 L892	L890-K894 HydrophobicContact CD2-CB 4.36Å; T891-K894 PolarHBondContact O-N 3.37Å; L892-K894 VanDerWaalsContact C-N 3.35Å; L892-K894 PolarHBondContact O-N 3.4Å
895	M	85.1	Confident	79.5	Confident	10 Å²	10	52.5 Å²	52.5	5%	0.049	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	10.2	179.7	-71.9	-164.8	146	0	0	114.3	L629 V633 I714 S717 L890 T891 L892 S897 A898 F899	L629-M895 HydrophobicContact CD2-CE 4.18Å; L629-M895 HydrophobicContact CD2-SD 3.94Å; V633-M895 HydrophobicContact CG1-SD 4.28Å; I714-M895 HydrophobicContact CD1-SD 4.11Å; S717-M895 WeakPolarHBondContact OG-CE 3.32Å; L890-M895 HydrophobicContact CB-CE 4.31Å; L890-M895 HydrophobicContact CB-CG 4.41Å; L890-M895 HydrophobicContact CB-SD 4.15Å; L890-M895 HydrophobicContact CD1-CE 3.68Å; L890-M895 HydrophobicContact CD2-CE 4Å; L890-M895 HydrophobicContact CD2-CG 4.08Å; L890-M895 HydrophobicContact CD2-SD 4.49Å; L890-M895 HydrophobicContact CG-CE 4.21Å; T891-M895 PolarHBondContact O-N 3.33Å; L892-M895 CarbonylContact O-C 3.55Å; L892-M895 PolarHBondContact O-N 3.28Å; M895-S897 PolarHBondContact O-N 3.37Å; M895-A898 PolarHBondContact O-N 3.17Å; M895-A898 VanDerWaalsContact O-N 3.11Å; M895-F899 HydrophobicContact CB-CE2 4.35Å; M895-F899 WeakPolarHBondContact O-CD2 3.31Å
896	S	85.2	Confident	81.8	Confident	50 Å²	50	52.8 Å²	52.8	35%	0.35	32%	0.319	S	S	.	.	H	α-helix	trans	-56.2	-37.7	-174.4	53.9	0	0	0	0	112.7	L892 A893 A898 F899 I900	L892-S896 WeakPolarHBondContact O-CA 3.26Å; L892-S896 PolarHBondContact O-N 3Å; A893-S896 WeakPolarHBondContact O-CB 3.35Å; A893-S896 PolarHBondContact O-OG 3.33Å; S896-A898 VanDerWaalsContact C-N 3.33Å; S896-A898 PolarHBondContact O-N 3.05Å; S896-F899 PolarHBondContact O-N 3.03Å; S896-I900 WeakPolarHBondContact O-CB 3.4Å; S896-I900 VanDerWaalsContact O-CG1 3.23Å; S896-I900 WeakPolarHBondContact O-CG1 3.22Å; S896-I900 PolarHBondContact O-N 3.1Å
897	S	89.1	Confident	84.4	Confident	87 Å²	87	56.7 Å²	56.7	61%	0.608	33%	0.331	S	S	*	.	H	α-helix	trans	-59.4	-37.1	178.9	55.9	0	0	0	0	113.8	M895 G901	M895-S897 PolarHBondContact O-N 3.37Å; S897-G901 PolarHBondContact O-N 3.05Å
898	A	91	Very high	86.4	Confident	16 Å²	16	58.8 Å²	58.8	13%	0.132	34%	0.342	C	S	.	.	H	α-helix	trans	-67.7	-43	178.9	0	0	0	0	0	111.5	F710 V713 M895 S896 G901 L902	F710-A898 HydrophobicContact CD2-CB 4.28Å; F710-A898 HydrophobicContact CE2-CB 4.25Å; V713-A898 HydrophobicContact CG1-CB 4.07Å; M895-A898 PolarHBondContact O-N 3.17Å; M895-A898 VanDerWaalsContact O-N 3.11Å; S896-A898 VanDerWaalsContact C-N 3.33Å; S896-A898 PolarHBondContact O-N 3.05Å; A898-G901 PolarHBondContact O-N 2.91Å; A898-L902 PolarHBondContact O-N 2.84Å
899	F	93.5	Very high	88.1	Confident	37 Å²	37	55.3 Å²	55.3	16%	0.162	32%	0.319	C	S	.	.	H	α-helix	trans	-70.6	-41	177.7	-70.2	-80.2	0	0	0	112.4	V633 V637 F710 L892 M895 S896 G901 L902 G903	V633-F899 HydrophobicContact CG1-CE2 4.36Å; V633-F899 HydrophobicContact CG1-CZ 4.26Å; V637-F899 HydrophobicContact CG2-CE1 4.35Å; V637-F899 HydrophobicContact CG2-CZ 3.95Å; F710-F899 AromaticContact CE2-CD1 3.91Å; F710-F899 HydrophobicContact CE2-CD1 3.91Å; F710-F899 AromaticContact CE2-CE1 3.99Å; F710-F899 HydrophobicContact CE2-CE1 3.99Å; F710-F899 HydrophobicContact CE2-CG 4.29Å; F710-F899 HydrophobicContact CE2-CZ 4.43Å; F710-F899 AromaticContact CZ-CD1 3.98Å; F710-F899 HydrophobicContact CZ-CD1 3.98Å; F710-F899 AromaticContact CZ-CE1 3.65Å; F710-F899 HydrophobicContact CZ-CE1 3.65Å; F710-F899 HydrophobicContact CZ-CZ 4.14Å; L892-F899 HydrophobicContact CD1-CD2 3.64Å; L892-F899 HydrophobicContact CD1-CE2 3.61Å; L892-F899 HydrophobicContact CD1-CG 4.37Å; L892-F899 HydrophobicContact CD1-CZ 4.31Å; M895-F899 HydrophobicContact CB-CE2 4.35Å; M895-F899 WeakPolarHBondContact O-CD2 3.31Å; S896-F899 PolarHBondContact O-N 3.03Å; F899-G901 VanDerWaalsContact C-N 3.32Å; F899-G901 PolarHBondContact O-N 3.39Å; F899-L902 PolarHBondContact O-N 3.17Å; F899-G903 PolarHBondContact O-N 3.48Å
900	I	92.8	Very high	89.3	Confident	110 Å²	110	54.7 Å²	54.7	56%	0.564	32%	0.318	S	S	*	.	H	α-helix	trans	-61.2	-44.6	174.2	-67.6	165.3	0	0	0	109.8	S896 L902 G903 V904	S896-I900 WeakPolarHBondContact O-CB 3.4Å; S896-I900 VanDerWaalsContact O-CG1 3.23Å; S896-I900 WeakPolarHBondContact O-CG1 3.22Å; S896-I900 PolarHBondContact O-N 3.1Å; I900-L902 VanDerWaalsContact C-N 3.33Å; I900-L902 PolarHBondContact O-N 3.16Å; I900-G903 PolarHBondContact O-N 3.14Å; I900-V904 HydrophobicContact CG2-CG2 4.41Å; I900-V904 WeakPolarHBondContact O-CG2 3.42Å; I900-V904 PolarHBondContact O-N 2.73Å
901	G	92.3	Very high	90.1	Very high	32 Å²	32	56.5 Å²	56.5	33%	0.33	33%	0.328	S	S	.	.	H	α-helix	trans	-58.7	-41.9	176	0	0	0	0	0	113	S897 A898 F899 V904 G905	S897-G901 PolarHBondContact O-N 3.05Å; A898-G901 PolarHBondContact O-N 2.91Å; F899-G901 VanDerWaalsContact C-N 3.32Å; F899-G901 PolarHBondContact O-N 3.39Å; G901-V904 PolarHBondContact O-N 3.21Å; G901-G905 PolarHBondContact O-N 2.92Å
902	L	95	Very high	90.6	Very high	10 Å²	10	55.7 Å²	55.7	5%	0.052	32%	0.322	C	S	.	.	H	α-helix	trans	-61.4	-46.6	173.8	179.7	64.7	0	0	0	111.7	A640 V644 I706 W707 F710 A898 F899 I900 V904 G905 L906	A640-L902 HydrophobicContact CB-CD2 3.74Å; V644-L902 HydrophobicContact CG2-CD1 4.05Å; V644-L902 HydrophobicContact CG2-CD2 4.21Å; I706-L902 HydrophobicContact CG2-CD1 4.18Å; W707-L902 HydrophobicContact CE3-CD1 4.2Å; W707-L902 HydrophobicContact CE3-CD2 4.5Å; W707-L902 HydrophobicContact CZ3-CD2 4.3Å; F710-L902 HydrophobicContact CB-CD1 4.29Å; F710-L902 HydrophobicContact CD1-CD2 4.2Å; F710-L902 HydrophobicContact CD2-CB 4.02Å; F710-L902 HydrophobicContact CD2-CD2 4.2Å; F710-L902 HydrophobicContact CE1-CD2 4.28Å; F710-L902 HydrophobicContact CE2-CD2 4.28Å; F710-L902 HydrophobicContact CG-CB 4.38Å; F710-L902 HydrophobicContact CG-CD1 4.43Å; F710-L902 HydrophobicContact CG-CD2 4.17Å; F710-L902 HydrophobicContact CZ-CD2 4.32Å; A898-L902 PolarHBondContact O-N 2.84Å; F899-L902 PolarHBondContact O-N 3.17Å; I900-L902 VanDerWaalsContact C-N 3.33Å; I900-L902 PolarHBondContact O-N 3.16Å; L902-V904 PolarHBondContact O-N 2.86Å; L902-G905 PolarHBondContact O-N 3.39Å; L902-L906 HydrophobicContact CD1-CD1 4.41Å; L902-L906 HydrophobicContact CD1-CG 4.31Å; L902-L906 HydrophobicContact CG-CD1 4.2Å; L902-L906 HydrophobicContact CG-CG 4.49Å; L902-L906 WeakPolarHBondContact O-CG 3.24Å; L902-L906 PolarHBondContact O-N 2.99Å
903	G	94.1	Very high	91.1	Very high	41 Å²	41	55.5 Å²	55.5	42%	0.423	32%	0.317	S	S	.	.	H	α-helix	trans	-59.8	-45.1	178.3	0	0	0	0	0	112.7	F899 I900 L906 F907	F899-G903 PolarHBondContact O-N 3.48Å; I900-G903 PolarHBondContact O-N 3.14Å; G903-L906 PolarHBondContact O-N 3.35Å; G903-F907 PolarHBondContact O-N 3.3Å
904	V	93.9	Very high	91.6	Very high	71 Å²	71	55.6 Å²	55.6	43%	0.43	31%	0.307	S	S	.	.	H	α-helix	trans	-63.2	-43.7	176.3	172.3	0	0	0	0	111.3	I900 G901 L902 F907 F908	I900-V904 HydrophobicContact CG2-CG2 4.41Å; I900-V904 WeakPolarHBondContact O-CG2 3.42Å; I900-V904 PolarHBondContact O-N 2.73Å; G901-V904 PolarHBondContact O-N 3.21Å; L902-V904 PolarHBondContact O-N 2.86Å; V904-F907 WeakPolarHBondContact O-CB 3.48Å; V904-F907 PolarHBondContact O-N 3.36Å; V904-F908 HydrophobicContact CG1-CD2 3.76Å; V904-F908 HydrophobicContact CG1-CE2 3.55Å; V904-F908 VanDerWaalsContact O-CD2 3.23Å; V904-F908 WeakPolarHBondContact O-CD2 3.27Å; V904-F908 PolarHBondContact O-N 3.3Å
905	G	92.9	Very high	91.9	Very high	8 Å²	8	52.9 Å²	52.9	8%	0.082	30%	0.302	C	S	.	.	H	α-helix	trans	-67.4	-37	178.6	0	0	0	0	0	113.6	G901 L902 F907 F908 G909	G901-G905 PolarHBondContact O-N 2.92Å; L902-G905 PolarHBondContact O-N 3.39Å; G905-F907 VanDerWaalsContact C-N 3.34Å; G905-F908 PolarHBondContact O-N 2.86Å; G905-G909 PolarHBondContact O-N 2.8Å
906	L	94.7	Very high	92.1	Very high	18 Å²	18	53.1 Å²	53.1	9%	0.094	30%	0.302	C	S	.	.	H	α-helix	trans	-63	-41.6	172.4	-73.1	175.9	0	0	0	111.5	V643 V644 T647 I703 L902 G903 G909 I910	V643-L906 HydrophobicContact CG1-CD1 4.16Å; V644-L906 HydrophobicContact CG2-CD1 4.05Å; V644-L906 HydrophobicContact CG2-CD2 4.21Å; T647-L906 HydrophobicContact CG2-CD2 4.26Å; I703-L906 HydrophobicContact CG1-CD2 4.31Å; I703-L906 HydrophobicContact CG2-CD2 3.77Å; L902-L906 HydrophobicContact CD1-CD1 4.41Å; L902-L906 HydrophobicContact CD1-CG 4.31Å; L902-L906 HydrophobicContact CG-CD1 4.2Å; L902-L906 HydrophobicContact CG-CG 4.49Å; L902-L906 WeakPolarHBondContact O-CG 3.24Å; L902-L906 PolarHBondContact O-N 2.99Å; G903-L906 PolarHBondContact O-N 3.35Å; L906-G909 PolarHBondContact O-N 2.67Å; L906-I910 VanDerWaalsContact O-CG1 3.32Å; L906-I910 WeakPolarHBondContact O-CG1 3.44Å; L906-I910 PolarHBondContact O-N 2.96Å
907	F	94	Very high	92.2	Very high	120 Å²	120	52.9 Å²	52.9	53%	0.526	30%	0.297	S	S	.	.	H	α-helix	trans	-59.6	-47.4	174.9	177.1	-103.6	0	0	0	111.9	G903 V904 G905 G909 I910 L911	G903-F907 PolarHBondContact O-N 3.3Å; V904-F907 WeakPolarHBondContact O-CB 3.48Å; V904-F907 PolarHBondContact O-N 3.36Å; G905-F907 VanDerWaalsContact C-N 3.34Å; F907-G909 VanDerWaalsContact C-N 3.34Å; F907-G909 PolarHBondContact O-N 3.34Å; F907-I910 PolarHBondContact O-N 3.48Å; F907-L911 HydrophobicContact CD1-CD1 4Å; F907-L911 HydrophobicContact CD1-CG 4.5Å; F907-L911 HydrophobicContact CE1-CD1 3.43Å; F907-L911 VanDerWaalsContact CE1-CD1 3.43Å; F907-L911 HydrophobicContact CE1-CG 4.12Å; F907-L911 HydrophobicContact CE2-CG 4.47Å; F907-L911 HydrophobicContact CZ-CD1 3.77Å; F907-L911 HydrophobicContact CZ-CD2 4.26Å; F907-L911 HydrophobicContact CZ-CG 4.1Å; F907-L911 PolarHBondContact O-N 3.46Å
908	F	93.8	Very high	92.1	Very high	116 Å²	116	52.3 Å²	52.3	51%	0.509	29%	0.29	S	S	.	.	H	α-helix	trans	-61.9	-39.4	174.5	-80.2	-65.7	0	0	0	112.8	V904 G905 I910 L911 V912	V904-F908 HydrophobicContact CG1-CD2 3.76Å; V904-F908 HydrophobicContact CG1-CE2 3.55Å; V904-F908 VanDerWaalsContact O-CD2 3.23Å; V904-F908 WeakPolarHBondContact O-CD2 3.27Å; V904-F908 PolarHBondContact O-N 3.3Å; G905-F908 PolarHBondContact O-N 2.86Å; F908-I910 VanDerWaalsContact C-N 3.34Å; F908-I910 PolarHBondContact O-N 3.26Å; F908-L911 HydrophobicContact CD1-CD1 4.42Å; F908-L911 PolarHBondContact O-N 3.24Å; F908-V912 WeakPolarHBondContact O-CG2 3.29Å; F908-V912 PolarHBondContact O-N 3.46Å
909	G	92.9	Very high	91.9	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-60.4	-41.4	174.7	0	0	0	0	0	113	G905 L906 F907 W913	G905-G909 PolarHBondContact O-N 2.8Å; L906-G909 PolarHBondContact O-N 2.67Å; F907-G909 VanDerWaalsContact C-N 3.34Å; F907-G909 PolarHBondContact O-N 3.34Å; G909-W913 WeakPolarHBondContact O-CB 3.5Å; G909-W913 PolarHBondContact O-N 3.18Å
910	I	92.5	Very high	91.4	Very high	61 Å²	61	56.5 Å²	56.5	31%	0.313	31%	0.31	S	S	.	.	H	α-helix	trans	-67	-41.4	175.5	-68.3	163.4	0	0	0	111.1	I651 L906 F907 F908 W913 I914	I651-I910 HydrophobicContact CD1-CG1 3.94Å; L906-I910 VanDerWaalsContact O-CG1 3.32Å; L906-I910 WeakPolarHBondContact O-CG1 3.44Å; L906-I910 PolarHBondContact O-N 2.96Å; F907-I910 PolarHBondContact O-N 3.48Å; F908-I910 VanDerWaalsContact C-N 3.34Å; F908-I910 PolarHBondContact O-N 3.26Å; I910-W913 HydrophobicContact CG2-CE3 4.22Å; I910-W913 WeakPolarHBondContact O-CB 3.42Å; I910-W913 PolarHBondContact O-N 3.15Å; I910-I914 HydrophobicContact CG2-CD1 4.12Å; I910-I914 WeakPolarHBondContact O-CG1 3.41Å; I910-I914 PolarHBondContact O-N 2.88Å
911	L	93.1	Very high	90.9	Very high	72 Å²	72	53.9 Å²	53.9	38%	0.377	30%	0.298	S	S	.	.	H	α-helix	trans	-61	-46.7	176.1	-74.3	179.7	0	0	0	111.7	F907 F908 W913 I914 T915	F907-L911 HydrophobicContact CD1-CD1 4Å; F907-L911 HydrophobicContact CD1-CG 4.5Å; F907-L911 HydrophobicContact CE1-CD1 3.43Å; F907-L911 VanDerWaalsContact CE1-CD1 3.43Å; F907-L911 HydrophobicContact CE1-CG 4.12Å; F907-L911 HydrophobicContact CE2-CG 4.47Å; F907-L911 HydrophobicContact CZ-CD1 3.77Å; F907-L911 HydrophobicContact CZ-CD2 4.26Å; F907-L911 HydrophobicContact CZ-CG 4.1Å; F907-L911 PolarHBondContact O-N 3.46Å; F908-L911 HydrophobicContact CD1-CD1 4.42Å; F908-L911 PolarHBondContact O-N 3.24Å; L911-W913 VanDerWaalsContact C-N 3.29Å; L911-W913 PolarHBondContact O-N 2.89Å; L911-I914 PolarHBondContact O-N 3.35Å; L911-T915 WeakPolarHBondContact O-CG2 3.1Å; L911-T915 PolarHBondContact O-N 3.46Å
912	V	92.5	Very high	90.6	Very high	38 Å²	38	56.9 Å²	56.9	23%	0.23	31%	0.306	C	S	.	.	H	α-helix	trans	-61.2	-41.2	176.3	173.5	0	0	0	0	110.5	T698 I702 F908 I914 T915 E916	T698-V912 HydrophobicContact CG2-CG1 4.33Å; I702-V912 HydrophobicContact CD1-CB 4.2Å; I702-V912 HydrophobicContact CD1-CG1 4.19Å; I702-V912 HydrophobicContact CD1-CG2 3.77Å; F908-V912 WeakPolarHBondContact O-CG2 3.29Å; F908-V912 PolarHBondContact O-N 3.46Å; V912-I914 PolarHBondContact O-N 2.84Å; V912-T915 WeakPolarHBondContact CA-OG1 3.3Å; V912-T915 PolarHBondContact O-N 2.89Å; V912-T915 PolarHBondContact O-OG1 2.8Å; V912-E916 HydrophobicContact CG1-CG 4.34Å; V912-E916 WeakPolarHBondContact O-CG 3.39Å; V912-E916 PolarHBondContact O-N 2.94Å
913	W	92.7	Very high	90	Very high	56 Å²	56	62.7 Å²	62.7	21%	0.212	33%	0.331	C	S	.	.	H	α-helix	trans	-59.1	-43.4	174.3	171.3	69	0	0	0	113.2	I651 V654 G909 I910 L911 T915 E916 I917	I651-W913 HydrophobicContact CB-CG 4.41Å; I651-W913 HydrophobicContact CD1-CB 4.29Å; I651-W913 HydrophobicContact CD1-CG 4.34Å; I651-W913 HydrophobicContact CG1-CB 4.4Å; I651-W913 HydrophobicContact CG1-CD2 3.96Å; I651-W913 HydrophobicContact CG1-CE3 4.48Å; I651-W913 HydrophobicContact CG1-CG 3.94Å; I651-W913 HydrophobicContact CG2-CB 4.16Å; I651-W913 HydrophobicContact CG2-CG 3.92Å; V654-W913 HydrophobicContact CB-CZ2 3.89Å; V654-W913 HydrophobicContact CG1-CZ2 3.58Å; V654-W913 HydrophobicContact CG2-CZ2 4.37Å; G909-W913 WeakPolarHBondContact O-CB 3.5Å; G909-W913 PolarHBondContact O-N 3.18Å; I910-W913 HydrophobicContact CG2-CE3 4.22Å; I910-W913 WeakPolarHBondContact O-CB 3.42Å; I910-W913 PolarHBondContact O-N 3.15Å; L911-W913 VanDerWaalsContact C-N 3.29Å; L911-W913 PolarHBondContact O-N 2.89Å; W913-T915 VanDerWaalsContact C-N 3.34Å; W913-T915 PolarHBondContact O-N 3.13Å; W913-E916 WeakPolarHBondContact O-CB 3.43Å; W913-E916 PolarHBondContact O-N 3.3Å; W913-I917 HydrophobicContact CD2-CD1 3.9Å; W913-I917 HydrophobicContact CE3-CD1 4.48Å; W913-I917 HydrophobicContact CG-CD1 4.36Å; W913-I917 HydrophobicContact CH2-CD1 4.16Å; W913-I917 HydrophobicContact CZ2-CD1 3.53Å; W913-I917 WeakPolarHBondContact O-CG1 3.27Å; W913-I917 PolarHBondContact O-N 3.16Å
914	I	90.4	Very high	89.2	Confident	79 Å²	79	64.2 Å²	64.2	41%	0.405	33%	0.332	S	S	.	.	H	α-helix	trans	-60.7	-45.1	174.7	-67.1	166.7	0	0	0	110	I910 L911 V912 E916 I917 V918	I910-I914 HydrophobicContact CG2-CD1 4.12Å; I910-I914 WeakPolarHBondContact O-CG1 3.41Å; I910-I914 PolarHBondContact O-N 2.88Å; L911-I914 PolarHBondContact O-N 3.35Å; V912-I914 PolarHBondContact O-N 2.84Å; I914-E916 PolarHBondContact O-N 3.31Å; I914-I917 PolarHBondContact O-N 3.47Å; I914-V918 HydrophobicContact CG2-CG2 4.39Å; I914-V918 WeakPolarHBondContact O-CG2 3.46Å; I914-V918 PolarHBondContact O-N 3Å
915	T	89.5	Confident	88.4	Confident	79 Å²	79	69.8 Å²	69.8	49%	0.485	35%	0.345	S	S	.	.	H	α-helix	trans	-63.8	-38.9	177.5	64.4	0	0	0	0	112.6	L911 V912 W913 I917 V918 V919	L911-T915 WeakPolarHBondContact O-CG2 3.1Å; L911-T915 PolarHBondContact O-N 3.46Å; V912-T915 WeakPolarHBondContact CA-OG1 3.3Å; V912-T915 PolarHBondContact O-N 2.89Å; V912-T915 PolarHBondContact O-OG1 2.8Å; W913-T915 VanDerWaalsContact C-N 3.34Å; W913-T915 PolarHBondContact O-N 3.13Å; T915-I917 VanDerWaalsContact C-N 3.35Å; T915-I917 PolarHBondContact O-N 3.4Å; T915-V918 PolarHBondContact O-N 2.98Å; T915-V919 WeakPolarHBondContact O-CB 3.34Å; T915-V919 VanDerWaalsContact O-CG2 3.27Å; T915-V919 WeakPolarHBondContact O-CG2 3.26Å; T915-V919 PolarHBondContact O-N 3.06Å
916	E	88	Confident	87.6	Confident	14 Å²	14	74.9 Å²	74.9	7%	0.065	38%	0.375	C	S	.	.	H	α-helix	trans	-60.5	-43.6	175.7	-79.2	179.3	169	0	0	111.5	S655 Y657 T698 S699 V912 W913 I914 W920	S655-E916 PolarHBondContact OG-OE2 3.13Å; Y657-E916 HydrophobicContact CD2-CB 4.15Å; Y657-E916 HydrophobicContact CD2-CG 4.16Å; Y657-E916 HydrophobicContact CE2-CB 3.87Å; Y657-E916 HydrophobicContact CE2-CG 4.04Å; T698-E916 WeakPolarHBondContact CA-OE1 3.49Å; T698-E916 WeakPolarHBondContact CB-OE1 2.99Å; T698-E916 PolarHBondContact N-OE1 2.96Å; T698-E916 PolarHBondContact OG1-OE1 3.08Å; S699-E916 WeakPolarHBondContact CB-OE2 3.29Å; S699-E916 PolarHBondContact N-OE1 3.21Å; S699-E916 PolarHBondContact OG-OE2 3.03Å; V912-E916 HydrophobicContact CG1-CG 4.34Å; V912-E916 WeakPolarHBondContact O-CG 3.39Å; V912-E916 PolarHBondContact O-N 2.94Å; W913-E916 WeakPolarHBondContact O-CB 3.43Å; W913-E916 PolarHBondContact O-N 3.3Å; I914-E916 PolarHBondContact O-N 3.31Å; E916-W920 VanDerWaalsContact O-CB 3.23Å; E916-W920 WeakPolarHBondContact O-CB 3.48Å; E916-W920 PolarHBondContact O-N 3.24Å
917	I	86.8	Confident	86.1	Confident	45 Å²	45	78.4 Å²	78.4	23%	0.231	39%	0.394	C	S	.	.	H	α-helix	trans	-64.9	-48.4	176	-69.2	171.2	0	0	0	110.6	V654 W913 I914 T915 V919 W920 V921	V654-I917 HydrophobicContact CG1-CD1 3.78Å; W913-I917 HydrophobicContact CD2-CD1 3.9Å; W913-I917 HydrophobicContact CE3-CD1 4.48Å; W913-I917 HydrophobicContact CG-CD1 4.36Å; W913-I917 HydrophobicContact CH2-CD1 4.16Å; W913-I917 HydrophobicContact CZ2-CD1 3.53Å; W913-I917 WeakPolarHBondContact O-CG1 3.27Å; W913-I917 PolarHBondContact O-N 3.16Å; I914-I917 PolarHBondContact O-N 3.47Å; T915-I917 VanDerWaalsContact C-N 3.35Å; T915-I917 PolarHBondContact O-N 3.4Å; I917-V919 PolarHBondContact O-N 3.47Å; I917-W920 PolarHBondContact O-N 2.8Å; I917-V921 HydrophobicContact CG2-CG2 4.18Å; I917-V921 WeakPolarHBondContact O-CB 2.92Å; I917-V921 VanDerWaalsContact O-CG2 3.3Å; I917-V921 WeakPolarHBondContact O-CG2 3.48Å; I917-V921 PolarHBondContact O-N 2.69Å
918	V	87.6	Confident	84.2	Confident	76 Å²	76	83.4 Å²	83.4	46%	0.461	41%	0.409	S	S	.	.	H	α-helix	trans	-59.9	-48	-179.1	170.9	0	0	0	0	110.4	I914 T915 W920 V921 L922	I914-V918 HydrophobicContact CG2-CG2 4.39Å; I914-V918 WeakPolarHBondContact O-CG2 3.46Å; I914-V918 PolarHBondContact O-N 3Å; T915-V918 PolarHBondContact O-N 2.98Å; V918-W920 VanDerWaalsContact C-N 3.33Å; V918-W920 PolarHBondContact O-N 3.27Å; V918-V921 PolarHBondContact O-N 3.41Å; V918-L922 HydrophobicContact CG1-CD1 3.95Å; V918-L922 HydrophobicContact CG1-CG 4.42Å; V918-L922 WeakPolarHBondContact O-CB 3.29Å; V918-L922 VanDerWaalsContact O-CG 3.24Å; V918-L922 WeakPolarHBondContact O-CG 3.35Å; V918-L922 PolarHBondContact O-N 3.11Å
919	V	86.8	Confident	81.9	Confident	79 Å²	79	85.8 Å²	85.8	48%	0.479	43%	0.428	S	S	.	.	H	α-helix	trans	-61.2	-42.1	177.1	171	0	0	0	0	111.2	T915 I917 L922 K923	T915-V919 WeakPolarHBondContact O-CB 3.34Å; T915-V919 VanDerWaalsContact O-CG2 3.27Å; T915-V919 WeakPolarHBondContact O-CG2 3.26Å; T915-V919 PolarHBondContact O-N 3.06Å; I917-V919 PolarHBondContact O-N 3.47Å; V919-L922 PolarHBondContact O-N 2.9Å; V919-K923 WeakPolarHBondContact O-CB 3.25Å; V919-K923 PolarHBondContact O-N 3.41Å
920	W	83	Confident	79.5	Confident	62 Å²	62	93.3 Å²	93.3	24%	0.235	46%	0.463	C	S	.	.	H	α-helix	trans	-64.3	-46	177.6	-179.9	84.2	0	0	0	112.2	P656 E916 I917 V918 L922 K923 V924 I936	P656-W920 HydrophobicContact CB-CD2 3.94Å; P656-W920 HydrophobicContact CB-CG 3.93Å; P656-W920 HydrophobicContact CB-CZ2 4.31Å; P656-W920 HydrophobicContact CG-CB 3.81Å; P656-W920 HydrophobicContact CG-CD2 3.76Å; P656-W920 HydrophobicContact CG-CE3 4.46Å; P656-W920 HydrophobicContact CG-CG 3.42Å; P656-W920 VanDerWaalsContact CG-CG 3.42Å; E916-W920 VanDerWaalsContact O-CB 3.23Å; E916-W920 WeakPolarHBondContact O-CB 3.48Å; E916-W920 PolarHBondContact O-N 3.24Å; I917-W920 PolarHBondContact O-N 2.8Å; V918-W920 VanDerWaalsContact C-N 3.33Å; V918-W920 PolarHBondContact O-N 3.27Å; W920-L922 VanDerWaalsContact C-N 3.32Å; W920-L922 PolarHBondContact O-N 3.23Å; W920-K923 PolarHBondContact O-N 3.49Å; W920-V924 HydrophobicContact CD2-CG2 4.04Å; W920-V924 HydrophobicContact CE3-CG2 4.48Å; W920-V924 HydrophobicContact CH2-CG2 4.36Å; W920-V924 HydrophobicContact CZ2-CG2 3.91Å; W920-V924 VanDerWaalsContact O-CG2 3.32Å; W920-V924 WeakPolarHBondContact O-CG2 3.05Å; W920-V924 PolarHBondContact O-N 3.44Å; W920-I936 HydrophobicContact CZ2-CG2 4.44Å
921	V	83.4	Confident	77	Confident	54 Å²	54	95.7 Å²	95.7	33%	0.327	49%	0.485	S	S	.	.	H	α-helix	trans	-60.8	-42.1	176.3	171	0	0	0	0	111	I917 V918 R925	I917-V921 HydrophobicContact CG2-CG2 4.18Å; I917-V921 WeakPolarHBondContact O-CB 2.92Å; I917-V921 VanDerWaalsContact O-CG2 3.3Å; I917-V921 WeakPolarHBondContact O-CG2 3.48Å; I917-V921 PolarHBondContact O-N 2.69Å; V918-V921 PolarHBondContact O-N 3.41Å; V921-R925 WeakPolarHBondContact O-CG 3.46Å; V921-R925 PolarHBondContact O-N 3.05Å
922	L	84.9	Confident	74.5	Confident	95 Å²	95	97.4 Å²	97.4	50%	0.497	50%	0.5	S	S	.	.	H	α-helix	trans	-62	-47	175.1	-70.8	172.8	0	0	0	111.1	V918 V919 W920 V924 R925 T926	V918-L922 HydrophobicContact CG1-CD1 3.95Å; V918-L922 HydrophobicContact CG1-CG 4.42Å; V918-L922 WeakPolarHBondContact O-CB 3.29Å; V918-L922 VanDerWaalsContact O-CG 3.24Å; V918-L922 WeakPolarHBondContact O-CG 3.35Å; V918-L922 PolarHBondContact O-N 3.11Å; V919-L922 PolarHBondContact O-N 2.9Å; W920-L922 VanDerWaalsContact C-N 3.32Å; W920-L922 PolarHBondContact O-N 3.23Å; L922-V924 PolarHBondContact O-N 2.6Å; L922-R925 WeakPolarHBondContact O-CB 3.33Å; L922-R925 PolarHBondContact O-N 2.98Å; L922-R925 VanDerWaalsContact O-N 3.16Å; L922-T926 PolarHBondContact O-N 3.25Å; L922-T926 PolarHBondContact O-OG1 3.45Å
923	K	81.7	Confident	72.1	Confident	132 Å²	132	100.5 Å²	100.5	57%	0.574	51%	0.514	S	S	*	.	H	α-helix	trans	-61.9	-41.4	178.9	-171.1	174.4	-176.5	174.8	0	112.8	V919 W920 R925 T926 N927	V919-K923 WeakPolarHBondContact O-CB 3.25Å; V919-K923 PolarHBondContact O-N 3.41Å; W920-K923 PolarHBondContact O-N 3.49Å; K923-R925 VanDerWaalsContact C-N 3.32Å; K923-T926 PolarHBondContact O-N 3.43Å; K923-N927 PolarHBondContact O-N 3.05Å
924	V	78	Confident	70	Confident	73 Å²	73	102.9 Å²	102.9	44%	0.442	54%	0.535	S	S	.	.	H	α-helix	trans	-65	-36.8	176	171.5	0	0	0	0	111.2	W920 L922	W920-V924 HydrophobicContact CD2-CG2 4.04Å; W920-V924 HydrophobicContact CE3-CG2 4.48Å; W920-V924 HydrophobicContact CH2-CG2 4.36Å; W920-V924 HydrophobicContact CZ2-CG2 3.91Å; W920-V924 VanDerWaalsContact O-CG2 3.32Å; W920-V924 WeakPolarHBondContact O-CG2 3.05Å; W920-V924 PolarHBondContact O-N 3.44Å; L922-V924 PolarHBondContact O-N 2.6Å
925	R	77.8	Confident	68	Low	188 Å²	188	106 Å²	106	71%	0.709	55%	0.548	S	S	*	.	H	α-helix	trans	-66.7	-39.2	175.2	-78.8	-178.5	176.2	175.3	0.3	112.7	V921 L922 K923	V921-R925 WeakPolarHBondContact O-CG 3.46Å; V921-R925 PolarHBondContact O-N 3.05Å; L922-R925 WeakPolarHBondContact O-CB 3.33Å; L922-R925 PolarHBondContact O-N 2.98Å; L922-R925 VanDerWaalsContact O-N 3.16Å; K923-R925 VanDerWaalsContact C-N 3.32Å
926	T	75.9	Confident	66.1	Low	115 Å²	115	104 Å²	104	71%	0.706	53%	0.534	S	S	*	.	H	α-helix	trans	-72.8	-37.1	-177.9	-40.3	0	0	0	0	112.8	L922 K923 R928	L922-T926 PolarHBondContact O-N 3.25Å; L922-T926 PolarHBondContact O-OG1 3.45Å; K923-T926 PolarHBondContact O-N 3.43Å; T926-R928 PolarHBondContact O-N 2.81Å
927	N	62.4	Low	64.1	Low	92 Å²	92	105 Å²	105	49%	0.492	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	36.5	-174	-81.6	1.1	0	0	0	114.9	K923 N929 Q930	K923-N927 PolarHBondContact O-N 3.05Å; N927-N929 PolarHBondContact O-N 3.01Å; N927-Q930 PolarHBondContact O-N 3.26Å
928	R	54.8	Low	62.4	Low	225 Å²	225	108.4 Å²	108.4	85%	0.849	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	-14.9	-174.5	-135.3	178.5	-174.7	178.7	0.5	115.3	T926	T926-R928 PolarHBondContact O-N 2.81Å
929	N	45.4	Very low	60.5	Low	167 Å²	167	109.6 Å²	109.6	89%	0.893	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	5.5	-176.7	-74.9	-4.6	0	0	0	115.8	N927	N927-N929 PolarHBondContact O-N 3.01Å
930	Q	41.6	Very low	58.5	Low	157 Å²	157	109 Å²	109	73%	0.734	56%	0.555	S	S	*	*			trans	-118.1	98.4	168.8	-84.6	179.4	-18.9	0	0	110.3	N927	N927-Q930 PolarHBondContact O-N 3.26Å
931	S	40.4	Very low	56.8	Low	112 Å²	112	112.4 Å²	112.4	78%	0.783	57%	0.573	S	S	*	*			trans	-67.7	103	161.2	53.4	0	0	0	0	108.4
932	P	40.6	Very low	55.1	Low	107 Å²	107	116.4 Å²	116.4	70%	0.695	59%	0.586	S	S	*	*				-153.9	80.4	104.8	35.9	-14.8	0	0	0	113.1
933	I	42.9	Very low	53.2	Low	103 Å²	103	115.1 Å²	115.1	53%	0.528	58%	0.582	S	S	.	*			trans	-147.5	41	162.3	-45.7	178	0	0	0	110	I936	I933-I936 HydrophobicContact CG2-CB 3.79Å; I933-I936 HydrophobicContact CG2-CD1 3.64Å; I933-I936 HydrophobicContact CG2-CG1 3.74Å
934	T	47.7	Very low	51.4	Low	106 Å²	106	115.3 Å²	115.3	65%	0.65	59%	0.589	S	S	*	*	H	α-helix	trans	-74.9	-24.7	173.2	34.6	0	0	0	0	112.4	E938	T934-E938 WeakPolarHBondContact O-CB 3.48Å; T934-E938 PolarHBondContact O-N 2.84Å
935	E	49.7	Very low	49.7	Very low	146 Å²	146	115.7 Å²	115.7	68%	0.682	59%	0.594	S	S	*	*	H	α-helix	trans	-70.9	-37.1	178.8	-84.4	-170.7	150.8	0	0	114.3	H939	E935-H939 WeakPolarHBondContact O-CB 3.38Å; E935-H939 PolarHBondContact O-N 2.62Å
936	I	48.3	Very low	47.6	Very low	35 Å²	35	113.5 Å²	113.5	18%	0.179	59%	0.591	C	S	.	*	H	α-helix	trans	-71.3	-41.2	179.7	-54.9	-178.6	0	0	0	110.2	I669 W920 I933 H939 F940	I669-I936 HydrophobicContact CD1-CD1 3.91Å; I669-I936 HydrophobicContact CD1-CG1 3.85Å; W920-I936 HydrophobicContact CZ2-CG2 4.44Å; I933-I936 HydrophobicContact CG2-CB 3.79Å; I933-I936 HydrophobicContact CG2-CD1 3.64Å; I933-I936 HydrophobicContact CG2-CG1 3.74Å; I936-H939 PolarHBondContact O-N 3.18Å; I936-F940 WeakPolarHBondContact O-CB 3.44Å; I936-F940 PolarHBondContact O-N 3.41Å
937	G	47.3	Very low	45.8	Very low	35 Å²	35	117.3 Å²	117.3	36%	0.361	60%	0.601	S	S	.	*	H	α-helix	trans	-62.6	-47.2	176.2	0	0	0	0	0	112.5	H939 F940 Q941	G937-H939 PolarHBondContact O-N 3.11Å; G937-F940 PolarHBondContact O-N 2.91Å; G937-Q941 WeakPolarHBondContact O-CB 3.46Å; G937-Q941 PolarHBondContact O-N 3.36Å
938	E	50.1	Low	44.4	Very low	117 Å²	117	124 Å²	124	55%	0.547	62%	0.619	S	S	.	*	H	α-helix	trans	-65.9	-37.4	176.8	-80.4	-169.5	165.5	0	0	112.6	T934 K942	T934-E938 WeakPolarHBondContact O-CB 3.48Å; T934-E938 PolarHBondContact O-N 2.84Å; E938-K942 VanDerWaalsContact O-CB 3.3Å; E938-K942 WeakPolarHBondContact O-CB 3.41Å; E938-K942 WeakPolarHBondContact O-CG 3.17Å; E938-K942 PolarHBondContact O-N 3.08Å
939	H	47	Very low	43.3	Very low	101 Å²	101	118.5 Å²	118.5	47%	0.468	61%	0.611	S	S	.	*	H	α-helix	trans	-71.6	-34	177.1	-154.8	-59.2	0	0	0	111.6	E935 I936 G937 K942 T943	E935-H939 WeakPolarHBondContact O-CB 3.38Å; E935-H939 PolarHBondContact O-N 2.62Å; I936-H939 PolarHBondContact O-N 3.18Å; G937-H939 PolarHBondContact O-N 3.11Å; H939-K942 PolarHBondContact O-N 3.26Å; H939-T943 PolarHBondContact ND1-OG1 3.25Å; H939-T943 WeakPolarHBondContact O-CB 3.27Å; H939-T943 PolarHBondContact O-N 3.25Å; H939-T943 PolarHBondContact O-OG1 3.32Å
940	F	45.3	Very low	42.5	Very low	67 Å²	67	121 Å²	121	29%	0.294	61%	0.613	S	S	.	*	H	α-helix	trans	-68.7	-42	174.7	-147.2	-90.8	0	0	0	111.4	V654 I936 G937 T943 L944	V654-F940 HydrophobicContact CB-CE2 4.42Å; V654-F940 HydrophobicContact CB-CZ 4.33Å; V654-F940 HydrophobicContact CG1-CE2 4.1Å; V654-F940 HydrophobicContact CG1-CZ 3.72Å; V654-F940 HydrophobicContact CG2-CE2 4.49Å; V654-F940 HydrophobicContact CG2-CZ 4.21Å; I936-F940 WeakPolarHBondContact O-CB 3.44Å; I936-F940 PolarHBondContact O-N 3.41Å; G937-F940 PolarHBondContact O-N 2.91Å; F940-T943 PolarHBondContact O-N 3.28Å; F940-L944 HydrophobicContact CD1-CD1 3.67Å; F940-L944 HydrophobicContact CD1-CG 4.41Å; F940-L944 HydrophobicContact CE1-CD1 3.59Å; F940-L944 HydrophobicContact CE1-CG 4.32Å; F940-L944 PolarHBondContact O-N 3.05Å
941	Q	47.9	Very low	42.1	Very low	133 Å²	133	118.7 Å²	118.7	62%	0.621	62%	0.615	S	S	*	*	H	α-helix	trans	-65.2	-41.1	173.5	-164.3	174	-4.4	0	0	111.5	G937 T943 L944 C945	G937-Q941 WeakPolarHBondContact O-CB 3.46Å; G937-Q941 PolarHBondContact O-N 3.36Å; Q941-T943 PolarHBondContact O-N 3.3Å; Q941-L944 PolarHBondContact O-N 2.92Å; Q941-C945 WeakPolarHBondContact O-CB 3.5Å; Q941-C945 PolarHBondContact O-N 3.36Å; Q941-C945 PolarHBondContact O-SG 2.82Å
942	K	47.6	Very low	41.8	Very low	138 Å²	138	121.8 Å²	121.8	60%	0.6	62%	0.617	S	S	*	*	H	α-helix	trans	-63	-38.3	171.8	-82.5	179.3	178.7	172.6	0	112.3	E938 H939 H946	E938-K942 VanDerWaalsContact O-CB 3.3Å; E938-K942 WeakPolarHBondContact O-CB 3.41Å; E938-K942 WeakPolarHBondContact O-CG 3.17Å; E938-K942 PolarHBondContact O-N 3.08Å; H939-K942 PolarHBondContact O-N 3.26Å; K942-H946 WeakPolarHBondContact O-CA 3.42Å; K942-H946 WeakPolarHBondContact O-CB 3.11Å; K942-H946 PolarHBondContact O-N 3.06Å
943	T	45.8	Very low	41.4	Very low	68 Å²	68	124.9 Å²	124.9	42%	0.417	62%	0.622	S	S	.	*	H	α-helix	trans	-72.7	-36.7	-179.4	-40.9	0	0	0	0	111.7	R653 H939 F940 Q941	R653-T943 PolarHBondContact NH2-OG1 3.02Å; H939-T943 PolarHBondContact ND1-OG1 3.25Å; H939-T943 WeakPolarHBondContact O-CB 3.27Å; H939-T943 PolarHBondContact O-N 3.25Å; H939-T943 PolarHBondContact O-OG1 3.32Å; F940-T943 PolarHBondContact O-N 3.28Å; Q941-T943 PolarHBondContact O-N 3.3Å
944	L	43.9	Very low	40.8	Very low	136 Å²	136	127.7 Å²	127.7	71%	0.712	64%	0.637	S	S	*	*	H	α-helix	trans	-75.9	-30.3	173.8	-79.7	166.5	0	0	0	113.1	F940 Q941	F940-L944 HydrophobicContact CD1-CD1 3.67Å; F940-L944 HydrophobicContact CD1-CG 4.41Å; F940-L944 HydrophobicContact CE1-CD1 3.59Å; F940-L944 HydrophobicContact CE1-CG 4.32Å; F940-L944 PolarHBondContact O-N 3.05Å; Q941-L944 PolarHBondContact O-N 2.92Å
945	C	40.8	Very low	40.1	Very low	81 Å²	81	129.9 Å²	129.9	55%	0.547	64%	0.643	S	S	.	*	H	α-helix	trans	-97.7	1.8	-179.5	-64.9	0	0	0	0	114.7	Q941 H947 R948	Q941-C945 WeakPolarHBondContact O-CB 3.5Å; Q941-C945 PolarHBondContact O-N 3.36Å; Q941-C945 PolarHBondContact O-SG 2.82Å; C945-H947 PolarHBondContact O-N 3.34Å; C945-R948 PolarHBondContact O-N 3.36Å
946	H	33.5	Very low	39.4	Very low	142 Å²	142	128.7 Å²	128.7	66%	0.657	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	6.9	-174.6	-139.6	45.2	0	0	0	115.6	K942 R948	K942-H946 WeakPolarHBondContact O-CA 3.42Å; K942-H946 WeakPolarHBondContact O-CB 3.11Å; K942-H946 PolarHBondContact O-N 3.06Å; H946-R948 VanDerWaalsContact C-N 3.33Å
947	H	38	Very low	38.7	Very low	195 Å²	195	134.4 Å²	134.4	90%	0.903	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	3.2	173.8	-125.4	-62.1	0	0	0	114.7	C945	C945-H947 PolarHBondContact O-N 3.34Å
948	R	33.4	Very low	37.9	Very low	232 Å²	232	138.1 Å²	138.1	88%	0.875	70%	0.695	S	S	*	*	S	Bend	trans	-122.6	-4.9	-172.9	-143.2	172.9	-178.4	161.2	1.8	119.9	C945 H946	C945-R948 PolarHBondContact O-N 3.36Å; H946-R948 VanDerWaalsContact C-N 3.33Å
949	T	32	Very low	37	Very low	110 Å²	110	143.9 Å²	143.9	68%	0.675	71%	0.712	S	S	*	*			trans	-141.6	89.3	-176.6	51.4	0	0	0	0	112.6
950	K	28	Very low	36.2	Very low	219 Å²	219	149.9 Å²	149.9	95%	0.952	73%	0.731	S	S	*	*			trans	-114.7	24	175.9	-144.4	-177	-173.5	-177.5	0	113.2
951	S	33.7	Very low	35.4	Very low	109 Å²	109	154.7 Å²	154.7	76%	0.762	76%	0.759	S	S	*	*	S	Bend	trans	-118.4	6.3	-169.8	58.3	0	0	0	0	117.8
952	E	33.8	Very low	34.7	Very low	178 Å²	178	153.7 Å²	153.7	83%	0.832	77%	0.767	S	S	*	*	S	Bend	trans	-130.3	3.8	-176	-72.4	-170.4	163	0	0	118	I954	E952-I954 PolarHBondContact O-N 3.37Å
953	E	31.8	Very low	34.2	Very low	171 Å²	171	154.3 Å²	154.3	80%	0.799	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	10	-170.5	-111.8	178.7	-177.8	0	0	117.5
954	I	31.7	Very low	33.7	Very low	163 Å²	163	157.4 Å²	157.4	84%	0.836	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-10.8	-178	-65.6	178.9	0	0	0	114.1	E952	E952-I954 PolarHBondContact O-N 3.37Å
955	I	32.7	Very low	33.4	Very low	152 Å²	152	159.4 Å²	159.4	78%	0.779	80%	0.795	S	S	*	*	S	Bend	trans	-94.5	-9.8	-169.9	-64.5	177.8	0	0	0	115.5
956	T	34.4	Very low	33.3	Very low	121 Å²	121	160 Å²	160	74%	0.742	80%	0.8	S	S	*	*	S	Bend	trans	-107.3	10.3	-170.6	25.7	0	0	0	0	117.5	S958	T956-S958 PolarHBondContact O-N 3.25Å
957	I	33.1	Very low	33.6	Very low	155 Å²	155	156.6 Å²	156.6	80%	0.795	79%	0.792	S	S	*	*	G	3₁₀ helix	trans	-81.2	-10.4	-178	-66.9	176.6	0	0	0	114	R959	I957-R959 PolarHBondContact O-N 2.92Å
958	S	31.5	Very low	33.7	Very low	112 Å²	112	152.4 Å²	152.4	78%	0.783	78%	0.776	S	S	*	*	G	3₁₀ helix	trans	-88	10.1	-172.2	69.3	0	0	0	0	117.6	T956	T956-S958 PolarHBondContact O-N 3.25Å
959	R	30.6	Very low	34	Very low	238 Å²	238	145.8 Å²	145.8	90%	0.898	76%	0.762	S	S	*	*	G	3₁₀ helix	trans	-130.9	17.9	-171.2	-112.1	-174	-158.5	167.3	6.8	119.6	I957	I957-R959 PolarHBondContact O-N 2.92Å
960	R	30.2	Very low	34.2	Very low	228 Å²	228	148.3 Å²	148.3	86%	0.86	76%	0.763	S	S	*	*			trans	-128.8	62.9	-175.9	-151.9	-178.7	-83.2	159.9	-6.5	113.7
961	N	28.7	Very low	34.6	Very low	167 Å²	167	143.7 Å²	143.7	89%	0.893	74%	0.74	S	S	*	*			trans	-129.6	80.2	166.5	-81.6	-11.9	0	0	0	110.2
962	S	32.6	Very low	34.8	Very low	113 Å²	113	145.8 Å²	145.8	79%	0.79	74%	0.736	S	S	*	*			trans	-176.5	95.6	154.9	50.4	0	0	0	0	109.2
963	I	37.1	Very low	35	Very low	151 Å²	151	144.6 Å²	144.6	77%	0.774	73%	0.73	S	S	*	*			trans	-122.9	117.5	167.6	-67.9	176.4	0	0	0	106.6
964	D	37	Very low	35.4	Very low	132 Å²	132	142.4 Å²	142.4	71%	0.706	72%	0.723	S	S	*	*			trans	-66.6	129	-174.5	-76.4	-44.6	0	0	0	113.6	S966 S967	D964-S966 PolarHBondContact O-N 3.32Å; D964-S966 VanDerWaalsContact O-N 3.14Å; D964-S967 PolarHBondContact O-OG 2.68Å
965	E	37.8	Very low	35.6	Very low	179 Å²	179	138.1 Å²	138.1	84%	0.836	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-12.3	179.9	-101.2	179.4	150.2	0	0	115	S967 L968	E965-S967 VanDerWaalsContact C-N 3.33Å; E965-S967 PolarHBondContact O-N 3.07Å; E965-L968 PolarHBondContact O-N 2.95Å
966	S	37.9	Very low	35.9	Very low	93 Å²	93	139.5 Å²	139.5	65%	0.65	71%	0.707	S	S	*	*	H	α-helix	trans	-73.1	-21.8	-175.5	69.3	0	0	0	0	114.3	D964 T969	D964-S966 PolarHBondContact O-N 3.32Å; D964-S966 VanDerWaalsContact O-N 3.14Å; S966-T969 PolarHBondContact O-OG1 3.02Å
967	S	40.2	Very low	35.8	Very low	71 Å²	71	141.7 Å²	141.7	50%	0.497	71%	0.711	S	S	.	*	H	α-helix	trans	-79.4	-23.6	180	56.3	0	0	0	0	113.3	D964 E965	D964-S967 PolarHBondContact O-OG 2.68Å; E965-S967 VanDerWaalsContact C-N 3.33Å; E965-S967 PolarHBondContact O-N 3.07Å
968	L	40.2	Very low	35.7	Very low	106 Å²	106	141.4 Å²	141.4	56%	0.555	71%	0.711	S	S	*	*	H	α-helix	trans	-78.8	-30.6	-176.7	-160.7	74.1	0	0	0	112.7	E965 K972	E965-L968 PolarHBondContact O-N 2.95Å; L968-K972 PolarHBondContact O-N 3.21Å
969	T	38.3	Very low	35.6	Very low	94 Å²	94	144.5 Å²	144.5	58%	0.577	71%	0.712	S	S	*	*	H	α-helix	trans	-70.4	-37.9	177.2	11.5	0	0	0	0	112	S966 Y971 K972 E973	S966-T969 PolarHBondContact O-OG1 3.02Å; T969-Y971 VanDerWaalsContact C-N 3.32Å; T969-Y971 PolarHBondContact O-N 2.6Å; T969-K972 PolarHBondContact O-N 2.96Å; T969-E973 PolarHBondContact O-N 2.81Å
970	K	36.8	Very low	35.4	Very low	162 Å²	162	138.7 Å²	138.7	70%	0.704	70%	0.704	S	S	*	*	H	α-helix	trans	-66.7	-31.1	-179.7	-156.5	170	-173.1	175.3	0	113.1
971	Y	36.2	Very low	35.3	Very low	122 Å²	122	135.9 Å²	135.9	48%	0.478	71%	0.706	S	S	.	*	H	α-helix	trans	-75.4	-28.1	174.6	-99.4	-85.3	0	0	0	113.6	T969	T969-Y971 VanDerWaalsContact C-N 3.32Å; T969-Y971 PolarHBondContact O-N 2.6Å
972	K	37.4	Very low	35.2	Very low	153 Å²	153	134.4 Å²	134.4	67%	0.665	70%	0.703	S	S	*	*	H	α-helix	trans	-71.2	-30.2	178.1	-90.6	-179	175.5	175.3	0	113.3	L968 T969	L968-K972 PolarHBondContact O-N 3.21Å; T969-K972 PolarHBondContact O-N 2.96Å
973	E	38	Very low	34.9	Very low	153 Å²	153	137.4 Å²	137.4	72%	0.715	71%	0.708	S	S	*	*	H	α-helix	trans	-74.1	-38.4	178.4	-75.4	-165.6	151.9	0	0	113.1	T969 C975 K976	T969-E973 PolarHBondContact O-N 2.81Å; E973-C975 PolarHBondContact O-N 3.01Å; E973-K976 PolarHBondContact O-N 2.89Å; E973-K976 VanDerWaalsContact O-N 3.1Å
974	I	40.4	Very low	34.4	Very low	126 Å²	126	133.4 Å²	133.4	65%	0.646	71%	0.705	S	S	*	*	H	α-helix	trans	-61.6	-31.5	177.8	-62.6	173.7	0	0	0	111
975	C	37.3	Very low	33.7	Very low	72 Å²	72	135.1 Å²	135.1	49%	0.486	71%	0.712	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.3	-13.4	178.4	-73.9	0	0	0	0	115	E973	E973-C975 PolarHBondContact O-N 3.01Å
976	K	37.4	Very low	33	Very low	182 Å²	182	133 Å²	133	79%	0.791	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-16.5	179.9	-90.3	-174	176.3	-178.8	0	114.4	E973 N978	E973-K976 PolarHBondContact O-N 2.89Å; E973-K976 VanDerWaalsContact O-N 3.1Å; K976-N978 PolarHBondContact O-N 2.98Å
977	M	32.6	Very low	32.3	Very low	167 Å²	167	134.3 Å²	134.3	82%	0.823	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-4.6	-174.3	-86.4	-161	169.3	0	0	116.3
978	N	32.1	Very low	31.6	Very low	149 Å²	149	140 Å²	140	80%	0.797	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.4	15.1	-174.6	-81.3	-4.9	0	0	0	116	K976	K976-N978 PolarHBondContact O-N 2.98Å
979	H	27.9	Very low	30.8	Very low	176 Å²	176	141.8 Å²	141.8	82%	0.815	74%	0.744	S	S	*	*	S	Bend	trans	-116.6	47.5	177.2	-86.4	-69.5	0	0	0	113.7
980	T	27.9	Very low	30.2	Very low	117 Å²	117	144.7 Å²	144.7	72%	0.718	75%	0.754	S	S	*	*			trans	-151.2	92.7	158.6	47	0	0	0	0	109
981	N	27.5	Very low	29.6	Very low	169 Å²	169	143.6 Å²	143.6	90%	0.904	76%	0.756	S	S	*	*			trans	-173.5	80.4	149.8	-92.6	-12.4	0	0	0	108.7
982	T	26.9	Very low	29	Very low	135 Å²	135	142.2 Å²	142.2	83%	0.828	77%	0.765	S	S	*	*			trans	-68.8	123.8	155.2	-17.2	0	0	0	0	107
983	I	26.5	Very low	28.4	Very low	176 Å²	176	141.7 Å²	141.7	90%	0.903	77%	0.769	S	S	*	*			trans	177.9	127.4	145.1	-87.1	146.6	0	0	0	108.8
984	G	25.4	Very low	27.8	Very low	68 Å²	68	140.2 Å²	140.2	70%	0.701	77%	0.766	S	S	*	*			trans	86.4	89.6	139.1	0	0	0	0	0	118.5
985	I	22.4	Very low	27.2	Very low	167 Å²	167	142.2 Å²	142.2	86%	0.856	77%	0.773	S	S	*	*			trans	-70	119.4	156.3	-65.8	165	0	0	0	108.2
986	T	23.4	Very low	26.6	Very low	134 Å²	134	146.1 Å²	146.1	82%	0.822	79%	0.788	S	S	*	*			trans	-141.8	121.4	152.1	23.6	0	0	0	0	109.6
987	T	24.3	Very low	26.2	Very low	122 Å²	122	144.6 Å²	144.6	75%	0.748	79%	0.788	S	S	*	*			trans	-59.7	134.2	176.3	43.7	0	0	0	0	112.8
988	H	24.2	Very low	25.9	Very low	189 Å²	189	142.2 Å²	142.2	88%	0.875	78%	0.779	S	S	*	*			trans	-139.6	121	151.9	-103.5	-73.4	0	0	0	110.8
989	N	23.5	Very low	25.6	Very low	144 Å²	144	141 Å²	141	77%	0.77	78%	0.777	S	S	*	*			trans	-57.1	158.9	167.6	-77.7	-32.2	0	0	0	112.5
990	I	25.9	Very low	25.4	Very low	155 Å²	155	137 Å²	137	80%	0.795	77%	0.769	S	S	*	*			trans	168.3	102.3	135	-83.5	150.7	0	0	0	106.6
991	N	23.9	Very low	25.3	Very low	140 Å²	140	137.5 Å²	137.5	75%	0.749	77%	0.772	S	S	*	*				56.4	99.9	95	-80.3	0.7	0	0	0	112.9
992	S	24.5	Very low	25.3	Very low	93 Å²	93	135.5 Å²	135.5	65%	0.65	77%	0.766	S	S	*	*				75.5	131.9	86.2	69.8	0	0	0	0	113.5
993	N	23.8	Very low	25.2	Very low	142 Å²	142	138.5 Å²	138.5	76%	0.759	77%	0.768	S	S	*	*			trans	118.9	126.8	174.2	-65.8	0.7	0	0	0	110.2
994	D	27.1	Very low	25.2	Very low	122 Å²	122	138.9 Å²	138.9	65%	0.652	77%	0.765	S	S	*	*			cis	-158.6	144.5	22.8	-93.3	-40	0	0	0	112.7
995	Q	25.9	Very low	25.3	Very low	167 Å²	167	144.7 Å²	144.7	78%	0.78	77%	0.772	S	S	*	*			trans	49.8	116.7	133.6	-55.3	-166.1	-2	0	0	119.9
996	L	25.6	Very low	25.6	Very low	154 Å²	154	143.2 Å²	143.2	81%	0.806	77%	0.77	S	S	*	*			cis	62.9	90.9	47.7	-115.1	154.2	0	0	0	114.3
997	N	29.7	Very low	25.8	Very low	150 Å²	150	143.2 Å²	143.2	80%	0.802	77%	0.77	S	S	*	*			trans	-136.2	97	156.9	-92.6	-26	0	0	0	107
998	N	26.2	Very low	25.9	Very low	118 Å²	118	142.7 Å²	142.7	63%	0.631	77%	0.771	S	S	*	*				66.3	103.1	97.9	-85.8	-7.3	0	0	0	114.5
999	T	24.3	Very low	26.1	Very low	124 Å²	124	145 Å²	145	76%	0.761	79%	0.789	S	S	*	*				75.6	136	108.9	56.3	0	0	0	0	113.3
1000	S	23.7	Very low	26.2	Very low	91 Å²	91	145.1 Å²	145.1	64%	0.636	79%	0.79	S	S	*	*			cis	176.9	165.3	16.5	40	0	0	0	0	106.8
1001	T	26.3	Very low	26.2	Very low	128 Å²	128	144.6 Å²	144.6	79%	0.785	79%	0.79	S	S	*	*			trans	67.9	127.8	158.2	52.5	0	0	0	0	116.7
1002	T	28.6	Very low	26.4	Very low	126 Å²	126	144.8 Å²	144.8	77%	0.773	79%	0.792	S	S	*	*			cis	-163.8	136.8	27.1	-26.6	0	0	0	0	110.1
1003	F	24.9	Very low	26.5	Very low	199 Å²	199	147.9 Å²	147.9	87%	0.873	80%	0.8	S	S	*	*			trans	-53	132.1	161.6	-97.3	-118	0	0	0	112
1004	H	26.5	Very low	26.6	Very low	183 Å²	183	148.3 Å²	148.3	85%	0.847	80%	0.803	S	S	*	*			trans	-157.4	131.1	145.2	-103.9	-67	0	0	0	110.2
1005	K	27.5	Very low	26.6	Very low	191 Å²	191	150 Å²	150	83%	0.83	81%	0.813	S	S	*	*			trans	84.5	70.8	169.6	-61	178.8	174.3	177.8	0	117.4
1006	V	27.3	Very low	26.7	Very low	136 Å²	136	148.8 Å²	148.8	82%	0.824	82%	0.815	S	S	*	*			trans	-126.2	88.9	142.1	-179.1	0	0	0	0	107
1007	T	29.2	Very low	26.8	Very low	134 Å²	134	148.4 Å²	148.4	82%	0.822	82%	0.816	S	S	*	*			trans	-151.5	73	166	32.4	0	0	0	0	107.2
1008	S	25.7	Very low	26.5	Very low	111 Å²	111	148.3 Å²	148.3	78%	0.776	82%	0.817	S	S	*	*			trans	-175.1	70.4	155.2	67.7	0	0	0	0	108.8
1009	L	27.8	Very low	26.5	Very low	238 Å²	238	151 Å²	151	100%	1.246	83%	0.834	S	S	*	*			trans	176.2	0	162.4	-97.1	159.6	0	0	0	105.1

Retrieved 1,009 of 1,009 residues in 1245.3 ms (Link to these results)

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