A0A087YRP2_POEFO Loading...

Dermatan sulfate epimerase like

AlphaFold DB , UniProt , Accession A0A087YRP2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,204 aa.

						>A0A087YRP2_POEFO|A0A087YRP2
MAYMWVAHLLFLLPLLRVGTAFSGVFNTTDRDVFTDDSPRVKLERWKLHTADSHPNLYFNQADVLHLRQRSSTTHSYIFKVIRAAVLTMLSNAPSYIPPAKHEEFTSKWNEIYGNNLPPLALYCLLCPEDSAALQFLLKFMDRMANYPDWKVTSAPNDEVPTAHSLTGFATAYDFIYSFLDENRRDTYLKKIHSETEALYELSKFRAWGKQYLQNHQTTNILAILTGAIVVGSHNDPESMIWKQVSVNYMEKTMFLLNHIVDGSLDEGVAYGSYTAKSITQYVFLAQRHFNIDNMQNNWLRGHFWFYYATLLPGFQRTVGIADSNYNWFYGPESQLAFLDTFVLKNGTGNWLAQQIRKHRPKDGPMGQSSAQRWATLHTEYIWYNSHLTPQPPHDFGKARMHIFSNWGVVTYGAGLPAGQSNTFVSFKSGRLGGRAVYDIVHDKPYSWVDGWNSFNPGHEHPDQNSFTFAPNGQVFVSEALYGPKYSYLNNVLVFSPSPTSQCNSPWEGQLGECAKWLRWTDEGVGDARGEVIVASEHRDTMFVSGEAVSAYSPAMRLKSVFRALVLLNSQTLLVLDHVEKWADSPVKSLSAFFHNLDIDFKYVPFRFMDKYNGAMMDVWDAHYKMFWFDSQGHSPETRIQEAEQAAEFKKRWTQYVNVTFPMTGAVSRVAYVFHGPYVKVSSCRFIDNSKNGVRLSLTINNTEKIVSIVTNYKDIGARLAYIGFGGHCKVEDRYQITRYGLGTQHIPKQISNDNQLFDIGFTLNVVAGVVLCVAIGFLTMQRKFYVCFSRLMRYALLSVLVLWIVELLFVSNSCDQLLCGVKWKGADTKSEASKQIRLYEQHRLPLPTVVITALPGSGSEILKYLFYNNSDFVYIRVPTEHVDIPETEFEFDSLVDTCEWSRTDALHGRFKIIQSWLHSLVHNTKLHLQNIQLAEGSRAKQPQRASPSRDRKKRSRRREPASELKGRLKASLDRDTEYVREMRRHVAEYPNAQVVLNMRSGSWTLKLPFIQEVVGISLRAVYLVRDPRAWIYLMVYNSKPSLYSLKNIPQHLSLIFKEDSVRAGCPAIAPEFKTIQWLLSRSETNPILILAHLWLAHTVAALRVAETLPEDSYLRVRFEDVVSFPQETAETIHTFLGVPMSPAALNQLTFTTSTNLYNLMYEGDISPANINIWRQKMPRKDVTLIEDICGGVMKRLGYARSAS
					

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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	35.8	Very low	28.8	Very low	234 Å²	234	149.6 Å²	149.6	100%	1.153	75%	0.75	S	S	*	*				0	103	0	-53.4	-170	-66.3	0	0	105.8
2	A	26.7	Very low	28.6	Very low	84 Å²	84	148.3 Å²	148.3	69%	0.694	75%	0.746	S	S	*	*			cis	62.7	130.1	23.2	0	0	0	0	0	111.8
3	Y	26.7	Very low	28.6	Very low	209 Å²	209	148.2 Å²	148.2	82%	0.82	75%	0.747	S	S	*	*			cis	-147	148	30	-116.5	-92.8	0	0	0	113.9
4	M	31.1	Very low	30.3	Very low	105 Å²	105	144.7 Å²	144.7	52%	0.517	74%	0.74	S	S	.	*			trans	39.2	155.2	153.7	-68.1	170.6	68.6	0	0	121.1
5	W	26.5	Very low	30.1	Very low	223 Å²	223	146 Å²	146	85%	0.845	75%	0.748	S	S	*	*			cis	-149.5	147.4	32.6	-68.1	77.5	0	0	0	109.3
6	V	29.2	Very low	29.9	Very low	105 Å²	105	145.4 Å²	145.4	64%	0.636	75%	0.746	S	S	*	*			cis	71.2	118.3	6.2	-170.8	0	0	0	0	113.8
7	A	28	Very low	29.8	Very low	77 Å²	77	151.6 Å²	151.6	64%	0.636	76%	0.758	S	S	*	*			cis	-167.9	174.4	10.5	0	0	0	0	0	108.8
8	H	28.9	Very low	29.9	Very low	167 Å²	167	150 Å²	150	77%	0.773	76%	0.757	S	S	*	*			cis	-167.1	-131.8	-23.5	-86.9	-38.1	0	0	0	106.3
9	L	27.9	Very low	29.7	Very low	156 Å²	156	146.3 Å²	146.3	82%	0.817	76%	0.76	S	S	*	*			trans	73.5	158.6	172.6	-50.3	172.9	0	0	0	115.6
10	L	28.6	Very low	29.6	Very low	124 Å²	124	145.4 Å²	145.4	65%	0.649	76%	0.762	S	S	*	*			cis	-156.2	160.3	-44.6	-80.7	-174.4	0	0	0	105.4
11	F	27.5	Very low	29.5	Very low	162 Å²	162	143 Å²	143	71%	0.711	76%	0.762	S	S	*	*			cis	-137.5	172.7	-2.2	-97.5	-41.6	0	0	0	106.6
12	L	26.7	Very low	29	Very low	134 Å²	134	141.4 Å²	141.4	70%	0.702	75%	0.75	S	S	*	*			cis	68.2	133.1	44.7	-50.6	-170.5	0	0	0	114.6
13	L	28.8	Very low	29	Very low	146 Å²	146	142.5 Å²	142.5	76%	0.764	75%	0.752	S	S	*	*			cis	-155.1	-166.6	-0.2	-114.4	173.7	0	0	0	110.3
14	P	51.8	Low	28.9	Very low	100 Å²	100	136 Å²	136	65%	0.649	75%	0.749	S	S	*	*			trans	-126.3	-164.5	-142.5	46.1	-28	0	0	0	115
15	L	27.4	Very low	28.6	Very low	164 Å²	164	137.1 Å²	137.1	86%	0.859	76%	0.761	S	S	*	*			trans	-161.8	163.3	134.4	-110.9	167.6	0	0	0	113.3
16	L	27.2	Very low	28.5	Very low	136 Å²	136	136.2 Å²	136.2	71%	0.712	76%	0.764	S	S	*	*			trans	-97.6	159.9	-174.9	-60.5	87.3	0	0	0	113
17	R	28.4	Very low	28.3	Very low	251 Å²	251	137.9 Å²	137.9	95%	0.947	77%	0.769	S	S	*	*				-151	148.4	128.1	-111.2	171.5	-165.2	-161.2	3	112.2
18	V	30.4	Very low	28.2	Very low	123 Å²	123	139.7 Å²	139.7	75%	0.745	77%	0.772	S	S	*	*			trans	-109.4	144.9	-179.3	172.8	0	0	0	0	109.1	T20	V18-T20 HydrophobicContact CG1-CG2 4.39Å
19	G	27.1	Very low	28.1	Very low	79 Å²	79	137.4 Å²	137.4	81%	0.814	77%	0.77	S	S	*	*			trans	-158.9	84.1	176.6	0	0	0	0	0	112.3
20	T	27.6	Very low	28	Very low	129 Å²	129	136.4 Å²	136.4	79%	0.791	77%	0.766	S	S	*	*			trans	-94.2	131.2	180	50.8	0	0	0	0	112.3	V18	V18-T20 HydrophobicContact CG1-CG2 4.39Å
21	A	26.6	Very low	27.8	Very low	94 Å²	94	140.4 Å²	140.4	78%	0.777	77%	0.772	S	S	*	*			trans	-159.3	109.6	155.1	0	0	0	0	0	114
22	F	26.8	Very low	27.7	Very low	202 Å²	202	138.5 Å²	138.5	89%	0.886	77%	0.769	S	S	*	*			trans	40.9	126.4	142.1	-76.3	-86.3	0	0	0	124
23	S	26.4	Very low	27.7	Very low	106 Å²	106	137.5 Å²	137.5	74%	0.741	77%	0.768	S	S	*	*			trans	-54.2	145.9	151.3	52.6	0	0	0	0	114.3
24	G	23.8	Very low	27.5	Very low	73 Å²	73	140 Å²	140	75%	0.753	77%	0.774	S	S	*	*			trans	-115.6	122.5	163.2	0	0	0	0	0	111.6
25	V	26.3	Very low	26.3	Very low	129 Å²	129	140.1 Å²	140.1	78%	0.782	77%	0.772	S	S	*	*			trans	-90.9	139.9	168.1	173	0	0	0	0	108.2
26	F	24.4	Very low	26.2	Very low	204 Å²	204	139.3 Å²	139.3	90%	0.895	77%	0.769	S	S	*	*			trans	-135.2	145.9	160.5	-91.5	-75.3	0	0	0	112.8
27	N	23.6	Very low	26.2	Very low	140 Å²	140	140 Å²	140	75%	0.749	77%	0.774	S	S	*	*			trans	-117.2	176.5	173.1	-162.7	7.9	0	0	0	108.4
28	T	26.3	Very low	25.9	Very low	114 Å²	114	132.8 Å²	132.8	70%	0.699	76%	0.762	S	S	*	*			trans	-51.9	159.4	178.1	60.1	0	0	0	0	114
29	T	25.8	Very low	26	Very low	119 Å²	119	132.3 Å²	132.3	73%	0.73	76%	0.761	S	S	*	*			cis	-155.2	166.1	33.4	42.2	0	0	0	0	114.4
30	D	25.7	Very low	25.9	Very low	135 Å²	135	140.2 Å²	140.2	72%	0.722	77%	0.766	S	S	*	*			trans	74.6	113	145.1	-86.1	-41.1	0	0	0	124.4
31	R	24.9	Very low	25.9	Very low	209 Å²	209	140.8 Å²	140.8	79%	0.789	77%	0.769	S	S	*	*				70.9	142.7	124.3	-86.9	-171	-178.1	-148.1	0.3	126
32	D	25.4	Very low	26	Very low	121 Å²	121	144.2 Å²	144.2	65%	0.647	77%	0.766	S	S	*	*			trans	78.1	98.5	148.6	-57.9	-12.8	0	0	0	122.2
33	V	26.7	Very low	26.1	Very low	113 Å²	113	142.2 Å²	142.2	69%	0.685	76%	0.764	S	S	*	*				49.1	117.4	127.6	-176.3	0	0	0	0	120
34	F	25.7	Very low	26.2	Very low	200 Å²	200	143.8 Å²	143.8	88%	0.877	76%	0.76	S	S	*	*				-162.5	178	116.6	-109.2	-70.2	0	0	0	111.6
35	T	25.8	Very low	26.3	Very low	101 Å²	101	151.3 Å²	151.3	62%	0.62	77%	0.765	S	S	*	*			trans	-122.2	161.6	-152.6	52	0	0	0	0	115.7
36	D	26.3	Very low	26.4	Very low	147 Å²	147	156.5 Å²	156.5	79%	0.786	77%	0.771	S	S	*	*			trans	57.6	147.9	155.8	-55.9	-34.5	0	0	0	119
37	D	25.5	Very low	26.8	Very low	152 Å²	152	155.2 Å²	155.2	81%	0.813	77%	0.765	S	S	*	*			cis	-167.9	172.9	17.6	-152.3	-23.5	0	0	0	109.9
38	S	23.8	Very low	27.3	Very low	99 Å²	99	155.9 Å²	155.9	69%	0.692	77%	0.768	S	S	*	*			trans	72.5	144.4	151.2	-157.5	0	0	0	0	120.7
39	P	30.6	Very low	27.9	Very low	112 Å²	112	157.5 Å²	157.5	73%	0.727	77%	0.767	S	S	*	*			cis	-128.6	169.3	-41.1	37.5	-23.8	0	0	0	113.5
40	R	26.4	Very low	28.7	Very low	245 Å²	245	156 Å²	156	93%	0.925	76%	0.758	S	S	*	*			trans	-71.1	131.8	-179	-64.8	170.3	173.4	159.3	-3.8	113.1
41	V	27.1	Very low	29.8	Very low	142 Å²	142	153.4 Å²	153.4	86%	0.861	76%	0.755	S	S	*	*			trans	-102.3	113.6	154.6	178.1	0	0	0	0	108.7
42	K	29.4	Very low	31.2	Very low	165 Å²	165	149.9 Å²	149.9	72%	0.717	75%	0.752	S	S	*	*			trans	-71.9	127.6	167.3	-86	-176.6	158.7	-157.5	0	109.3	E44	K42-E44 IonicContact NZ-OE1 2.68Å; K42-E44 PolarHBondContact NZ-OE1 3.15Å
43	L	27.2	Very low	33.5	Very low	160 Å²	160	145.4 Å²	145.4	84%	0.838	73%	0.73	S	S	*	*			trans	-117.1	101.3	158.5	-169.6	70.1	0	0	0	108.5	R45	L43-R45 PolarHBondContact O-N 2.87Å
44	E	29.1	Very low	36.6	Very low	139 Å²	139	140.1 Å²	140.1	65%	0.65	70%	0.698	S	S	*	*			trans	-75.6	88.4	-177.6	-67.7	-174.8	169.2	0	0	110.4	K42	K42-E44 IonicContact NZ-OE1 2.68Å; K42-E44 PolarHBondContact NZ-OE1 3.15Å
45	R	26.5	Very low	39.9	Very low	231 Å²	231	130.8 Å²	130.8	87%	0.872	66%	0.657	S	S	*	*			trans	-84.7	113.4	173.2	-150.3	173.9	-164.4	175	3.9	109.1	L43 K47	L43-R45 PolarHBondContact O-N 2.87Å; R45-K47 PolarHBondContact O-N 3.45Å
46	W	27.5	Very low	43.2	Very low	239 Å²	239	128 Å²	128	91%	0.905	64%	0.639	S	S	*	*			trans	-58.8	128.3	-179	-77.2	42	0	0	0	110.6	L48	W46-L48 PolarHBondContact O-N 3.22Å; W46-L48 VanDerWaalsContact O-N 3.07Å
47	K	33.2	Very low	46.5	Very low	177 Å²	177	121 Å²	121	77%	0.77	60%	0.601	S	S	*	*			trans	-72.9	98.5	179	-72.8	-173	177	-175	0	110.5	R45 H49	R45-K47 PolarHBondContact O-N 3.45Å; K47-H49 PolarHBondContact O-N 3Å
48	L	33.6	Very low	50	Low	154 Å²	154	114 Å²	114	81%	0.806	56%	0.564	S	S	*	*			trans	-68.2	120	141.3	-120.5	72.9	0	0	0	106.6	W46 T50	W46-L48 PolarHBondContact O-N 3.22Å; W46-L48 VanDerWaalsContact O-N 3.07Å; L48-T50 PolarHBondContact O-N 3.33Å
49	H	39.5	Very low	53.5	Low	147 Å²	147	109.7 Å²	109.7	68%	0.681	53%	0.533	S	S	*	.			trans	-71.1	98.4	164.6	-83.6	-119	0	0	0	107.3	K47 A51	K47-H49 PolarHBondContact O-N 3Å; H49-A51 PolarHBondContact O-N 3.2Å; H49-A51 VanDerWaalsContact O-N 3.16Å
50	T	43.4	Very low	56.5	Low	89 Å²	89	107.9 Å²	107.9	55%	0.546	52%	0.517	S	S	.	.			trans	-65.6	110.7	179.5	46.7	0	0	0	0	109.8	L48 D52	L48-T50 PolarHBondContact O-N 3.33Å; T50-D52 PolarHBondContact O-N 3.13Å; T50-D52 VanDerWaalsContact O-N 3.12Å
51	A	48.8	Very low	59.6	Low	79 Å²	79	100.2 Å²	100.2	65%	0.653	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-67.5	-5.1	175.4	0	0	0	0	0	113.1	H49 S53	H49-A51 PolarHBondContact O-N 3.2Å; H49-A51 VanDerWaalsContact O-N 3.16Å; A51-S53 VanDerWaalsContact C-N 3.3Å; A51-S53 PolarHBondContact O-N 3.37Å
52	D	53.2	Low	62.7	Low	135 Å²	135	97.2 Å²	97.2	72%	0.722	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-80.2	0.5	-176.3	-46.7	-75.5	0	0	0	114.5	T50	T50-D52 PolarHBondContact O-N 3.13Å; T50-D52 VanDerWaalsContact O-N 3.12Å
53	S	74.3	Confident	65.8	Low	28 Å²	28	92.1 Å²	92.1	20%	0.196	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-83.1	-11.6	-175.3	74.9	0	0	0	0	115.3	A51 N56	A51-S53 VanDerWaalsContact C-N 3.3Å; A51-S53 PolarHBondContact O-N 3.37Å; S53-N56 VanDerWaalsContact O-CB 3.3Å; S53-N56 WeakPolarHBondContact O-CB 3.35Å
54	H	92.3	Very high	69.1	Low	2 Å²	2	84.8 Å²	84.8	1%	0.009	42%	0.424	C	S	.	.			trans	-146.1	149.1	179	-62.6	-71.3	0	0	0	112.3	D174 Y177 H234	H54-D174 IonicContact CE1-OD1 3.23Å; H54-D174 IonicContact CG-OD1 2.72Å; H54-D174 IonicContact ND1-OD1 2.82Å; H54-D174 PolarHBondContact ND1-OD1 3.27Å; H54-Y177 HydrophobicContact CB-CD1 3.84Å; H54-Y177 HydrophobicContact CB-CG 3.77Å; H54-Y177 AromaticContact CD2-CD1 3.7Å; H54-Y177 AromaticContact CD2-CD2 3.71Å; H54-Y177 AromaticContact CD2-CE1 3.92Å; H54-Y177 AromaticContact CD2-CE2 3.92Å; H54-Y177 AromaticContact CD2-CG 3.6Å; H54-Y177 AromaticContact CG-CG 3.81Å; H54-H234 AromaticContact CD2-CE1 3.85Å; H54-H234 AromaticContact CE1-NE2 3.87Å; H54-H234 AromaticContact NE2-CE1 3.18Å; H54-H234 PolarHBondContact NE2-CE1 3.5Å; H54-H234 AromaticContact NE2-NE2 3.15Å; H54-H234 PolarHBondContact NE2-NE2 3.27Å; H54-H234 VanDerWaalsContact NE2-NE2 3.15Å
55	P	95.2	Very high	72.2	Confident	3 Å²	3	84 Å²	84	2%	0.019	42%	0.423	C	S	.	.	S	Bend	cis	-64	150.4	-8.4	-22.1	34.8	0	0	0	112.5	F59 N60 Q61 V64 L125 D174 F175	P55-F59 CarbonylContact C-O 3.29Å; P55-F59 HydrophobicContact CB-CD2 4.06Å; P55-F59 HydrophobicContact CB-CE2 3.67Å; P55-F59 HydrophobicContact CB-CZ 4.47Å; P55-F59 HydrophobicContact CG-CE2 3.92Å; P55-N60 WeakPolarHBondContact O-CA 3.46Å; P55-Q61 PolarHBondContact O-N 2.94Å; P55-V64 HydrophobicContact CG-CG2 4.42Å; P55-L125 HydrophobicContact CG-CD2 4.14Å; P55-D174 WeakPolarHBondContact CA-O 3.27Å; P55-D174 WeakPolarHBondContact CG-O 3.3Å; P55-F175 HydrophobicContact CB-CD1 4.48Å
56	N	94.4	Very high	75.5	Confident	42 Å²	42	78.3 Å²	78.3	23%	0.225	41%	0.406	C	S	.	.			trans	-145.8	-21.1	-177.2	-176.9	29.8	0	0	0	113.9	S53 Y58 F59 D174 S233 R288 H289	S53-N56 VanDerWaalsContact O-CB 3.3Å; S53-N56 WeakPolarHBondContact O-CB 3.35Å; N56-Y58 PolarHBondContact O-N 3.43Å; N56-F59 WeakPolarHBondContact CA-O 3.45Å; N56-F59 PolarHBondContact N-O 2.9Å; N56-D174 VanDerWaalsContact N-CG 3.31Å; N56-D174 PolarHBondContact N-OD1 2.99Å; N56-D174 PolarHBondContact N-OD2 3.29Å; N56-S233 PolarHBondContact ND2-OG 3.4Å; N56-R288 VanDerWaalsContact O-CZ 3.24Å; N56-R288 PolarHBondContact O-NE 2.94Å; N56-R288 PolarHBondContact O-NH2 2.83Å; N56-R288 PolarHBondContact OD1-NH2 2.9Å; N56-R288 VanDerWaalsContact OD1-NH2 3.07Å; N56-H289 PolarHBondContact O-CE1 3.19Å; N56-H289 PolarHBondContact O-NE2 2.94Å
57	L	96.3	Very high	78.8	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.005	37%	0.366	C	S	.	.	S	Bend	trans	-58.7	-55.6	-178	-83.6	171.8	0	0	0	111.5	D174 T226 I229 V230 L285 R288 H289	L57-D174 HydrophobicContact CB-CB 4.45Å; L57-D174 WeakPolarHBondContact CB-OD2 3.45Å; L57-D174 HydrophobicContact CD1-CB 3.75Å; L57-D174 HydrophobicContact CG-CB 4.07Å; L57-D174 PolarHBondContact N-OD1 3.25Å; L57-D174 PolarHBondContact N-OD2 2.85Å; L57-T226 HydrophobicContact CD1-CG2 3.94Å; L57-T226 HydrophobicContact CD2-CG2 4.11Å; L57-I229 HydrophobicContact CD2-CB 3.98Å; L57-I229 HydrophobicContact CD2-CG2 3.73Å; L57-V230 HydrophobicContact CD1-CG2 3.7Å; L57-V230 HydrophobicContact CD2-CG2 4.07Å; L57-V230 HydrophobicContact CG-CG2 3.89Å; L57-L285 HydrophobicContact CD2-CD2 4.42Å; L57-L285 WeakPolarHBondContact O-CD2 3.39Å; L57-R288 VanDerWaalsContact O-CD 3.3Å; L57-R288 WeakPolarHBondContact O-CD 3.44Å; L57-R288 PolarHBondContact O-NE 2.67Å; L57-H289 PolarHBondContact O-NE2 2.84Å
58	Y	97.9	Very high	81.8	Confident	4 Å²	4	62.9 Å²	62.9	2%	0.016	34%	0.344	C	S	.	.	S	Bend	trans	-107.6	-33.3	-172.4	-74	-77.1	0	0	0	114.4	N56 T171 F175 Q281 F284 L285 T379 I382 W383	N56-Y58 PolarHBondContact O-N 3.43Å; Y58-T171 HydrophobicContact CD2-CG2 4.33Å; Y58-T171 HydrophobicContact CE2-CG2 4Å; Y58-F175 AromaticContact CD2-CE1 3.94Å; Y58-F175 HydrophobicContact CD2-CE1 3.94Å; Y58-F175 AromaticContact CD2-CZ 3.87Å; Y58-F175 HydrophobicContact CD2-CZ 3.87Å; Y58-Q281 WeakPolarHBondContact OH-CG 3.23Å; Y58-Q281 PolarHBondContact OH-OE1 2.97Å; Y58-F284 AromaticContact CD1-CD1 3.8Å; Y58-F284 HydrophobicContact CD1-CD1 3.8Å; Y58-F284 AromaticContact CD1-CE1 3.8Å; Y58-F284 HydrophobicContact CD1-CE1 3.8Å; Y58-F284 HydrophobicContact CE1-CD1 4.17Å; Y58-F284 WeakPolarHBondContact O-CE1 3.31Å; Y58-F284 WeakPolarHBondContact O-CZ 3.45Å; Y58-L285 HydrophobicContact CE1-CD2 4.47Å; Y58-T379 HydrophobicContact CE1-CG2 3.98Å; Y58-I382 HydrophobicContact CD1-CD1 4.5Å; Y58-I382 HydrophobicContact CD2-CD1 4.47Å; Y58-I382 HydrophobicContact CG-CD1 4.06Å; Y58-W383 HydrophobicContact CE1-CZ2 4.32Å
59	F	96.9	Very high	84.9	Confident	10 Å²	10	61.3 Å²	61.3	4%	0.044	33%	0.332	C	S	.	.	S	Bend	trans	-154.2	166.2	-175.3	50.4	-99.9	0	0	0	108.5	P55 N56 D63 V64 L67 L122 L125 F175 I382	P55-F59 CarbonylContact C-O 3.29Å; P55-F59 HydrophobicContact CB-CD2 4.06Å; P55-F59 HydrophobicContact CB-CE2 3.67Å; P55-F59 HydrophobicContact CB-CZ 4.47Å; P55-F59 HydrophobicContact CG-CE2 3.92Å; N56-F59 WeakPolarHBondContact CA-O 3.45Å; N56-F59 PolarHBondContact N-O 2.9Å; F59-D63 HydrophobicContact CB-CB 4.03Å; F59-V64 HydrophobicContact CD2-CG2 4.3Å; F59-V64 HydrophobicContact CE2-CG2 4.06Å; F59-L67 HydrophobicContact CB-CD1 4.42Å; F59-L67 HydrophobicContact CD1-CD1 3.75Å; F59-L67 HydrophobicContact CD2-CD1 3.77Å; F59-L67 HydrophobicContact CE1-CD1 3.89Å; F59-L67 HydrophobicContact CE2-CD1 3.91Å; F59-L67 HydrophobicContact CG-CD1 3.7Å; F59-L67 HydrophobicContact CZ-CD1 3.98Å; F59-L122 HydrophobicContact CZ-CD1 4.39Å; F59-L125 HydrophobicContact CE2-CD2 3.75Å; F59-L125 HydrophobicContact CZ-CD2 3.79Å; F59-F175 HydrophobicContact CE1-CD1 4.25Å; F59-F175 AromaticContact CE1-CE1 3.56Å; F59-F175 HydrophobicContact CE1-CE1 3.56Å; F59-F175 AromaticContact CE1-CZ 3.73Å; F59-F175 HydrophobicContact CE1-CZ 3.73Å; F59-F175 HydrophobicContact CE2-CD1 4.46Å; F59-F175 HydrophobicContact CE2-CE1 4.48Å; F59-F175 AromaticContact CZ-CD1 3.72Å; F59-F175 HydrophobicContact CZ-CD1 3.72Å; F59-F175 AromaticContact CZ-CE1 3.52Å; F59-F175 HydrophobicContact CZ-CE1 3.52Å; F59-F175 HydrophobicContact CZ-CG 4.32Å; F59-F175 AromaticContact CZ-CZ 3.97Å; F59-F175 HydrophobicContact CZ-CZ 3.97Å; F59-I382 HydrophobicContact CD1-CD1 4.14Å; F59-I382 HydrophobicContact CD1-CG1 4.13Å; F59-I382 HydrophobicContact CD1-CG2 4.45Å; F59-I382 HydrophobicContact CE1-CD1 3.76Å; F59-I382 HydrophobicContact CE1-CG1 3.98Å
60	N	94.7	Very high	87.6	Confident	74 Å²	74	58.6 Å²	58.6	40%	0.396	32%	0.316	S	S	.	.			trans	-92.2	162.4	179.4	-58.1	-37.4	0	0	0	111.3	P55 A62 D63 R288	P55-N60 WeakPolarHBondContact O-CA 3.46Å; N60-A62 PolarHBondContact O-N 3.48Å; N60-A62 VanDerWaalsContact O-N 3.11Å; N60-D63 WeakPolarHBondContact CB-OD2 3.28Å; N60-D63 PolarHBondContact N-OD2 3.36Å; N60-D63 WeakPolarHBondContact O-CB 3.42Å; N60-D63 PolarHBondContact O-N 2.9Å; N60-R288 PolarHBondContact OD1-NH2 3.42Å
61	Q	92.1	Very high	90.2	Very high	84 Å²	84	54.9 Å²	54.9	39%	0.393	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-30.5	171	177.9	60.2	0.8	0	0	113.9	P55 D63	P55-Q61 PolarHBondContact O-N 2.94Å; Q61-D63 VanDerWaalsContact C-N 3.34Å; Q61-D63 PolarHBondContact O-N 3.29Å
62	A	92.1	Very high	92.4	Very high	78 Å²	78	55.7 Å²	55.7	65%	0.645	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-32.7	174.9	0	0	0	0	0	113.5	N60 V64	N60-A62 PolarHBondContact O-N 3.48Å; N60-A62 VanDerWaalsContact O-N 3.11Å; A62-V64 VanDerWaalsContact C-N 3.29Å; A62-V64 PolarHBondContact O-N 3.49Å
63	D	94.5	Very high	94.5	Very high	59 Å²	59	52.7 Å²	52.7	32%	0.316	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-22.3	-176.8	-60.7	-55	0	0	0	112.4	F59 N60 Q61 L65 H66 L67	F59-D63 HydrophobicContact CB-CB 4.03Å; N60-D63 WeakPolarHBondContact CB-OD2 3.28Å; N60-D63 PolarHBondContact N-OD2 3.36Å; N60-D63 WeakPolarHBondContact O-CB 3.42Å; N60-D63 PolarHBondContact O-N 2.9Å; Q61-D63 VanDerWaalsContact C-N 3.34Å; Q61-D63 PolarHBondContact O-N 3.29Å; D63-L65 VanDerWaalsContact C-N 3.26Å; D63-L65 PolarHBondContact O-N 3.42Å; D63-H66 PolarHBondContact O-N 2.97Å; D63-L67 WeakPolarHBondContact O-CG 3.38Å; D63-L67 PolarHBondContact O-N 3.41Å
64	V	95.4	Very high	95.5	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.03	29%	0.291	C	S	.	.	H	α-helix	trans	-56	-37.5	-173.9	178.2	0	0	0	0	112.4	P55 F59 A62 L67 R68 L125	P55-V64 HydrophobicContact CG-CG2 4.42Å; F59-V64 HydrophobicContact CD2-CG2 4.3Å; F59-V64 HydrophobicContact CE2-CG2 4.06Å; A62-V64 VanDerWaalsContact C-N 3.29Å; A62-V64 PolarHBondContact O-N 3.49Å; V64-L67 PolarHBondContact O-N 3.37Å; V64-R68 WeakPolarHBondContact O-CG 3.38Å; V64-R68 PolarHBondContact O-N 2.91Å; V64-L125 HydrophobicContact CG1-CD1 3.78Å; V64-L125 HydrophobicContact CG1-CD2 4.47Å; V64-L125 HydrophobicContact CG1-CG 3.96Å; V64-L125 HydrophobicContact CG2-CD1 4.3Å; V64-L125 HydrophobicContact CG2-CD2 4.19Å; V64-L125 HydrophobicContact CG2-CG 4.5Å
65	L	94.7	Very high	95.8	Very high	122 Å²	122	54.3 Å²	54.3	64%	0.639	29%	0.291	S	S	*	.	H	α-helix	trans	-65	-40.6	177	-66.2	177.3	0	0	0	112.1	D63 R68 Q69	D63-L65 VanDerWaalsContact C-N 3.26Å; D63-L65 PolarHBondContact O-N 3.42Å; L65-R68 PolarHBondContact O-N 2.87Å; L65-Q69 PolarHBondContact O-N 3.07Å
66	H	95.9	Very high	95.9	Very high	112 Å²	112	55.8 Å²	55.8	52%	0.519	30%	0.301	S	S	.	.	H	α-helix	trans	-71.3	-35.3	175.3	-63.9	-40.9	0	0	0	111.9	D63 Q69 R70	D63-H66 PolarHBondContact O-N 2.97Å; H66-Q69 PolarHBondContact O-N 3.45Å; H66-R70 WeakPolarHBondContact O-CB 3.43Å; H66-R70 WeakPolarHBondContact O-CD 3.34Å; H66-R70 VanDerWaalsContact O-CG 3.26Å; H66-R70 WeakPolarHBondContact O-CG 3.34Å; H66-R70 PolarHBondContact O-N 3.07Å
67	L	97.4	Very high	96	Very high	12 Å²	12	57 Å²	57	6%	0.063	30%	0.303	C	S	.	.	H	α-helix	trans	-63.8	-39.3	172.9	-64.8	175.1	0	0	0	111.8	F59 D63 V64 R70 S71 L126 Y381	F59-L67 HydrophobicContact CB-CD1 4.42Å; F59-L67 HydrophobicContact CD1-CD1 3.75Å; F59-L67 HydrophobicContact CD2-CD1 3.77Å; F59-L67 HydrophobicContact CE1-CD1 3.89Å; F59-L67 HydrophobicContact CE2-CD1 3.91Å; F59-L67 HydrophobicContact CG-CD1 3.7Å; F59-L67 HydrophobicContact CZ-CD1 3.98Å; D63-L67 WeakPolarHBondContact O-CG 3.38Å; D63-L67 PolarHBondContact O-N 3.41Å; V64-L67 PolarHBondContact O-N 3.37Å; L67-R70 PolarHBondContact O-N 3.33Å; L67-S71 PolarHBondContact O-N 2.94Å; L67-S71 PolarHBondContact O-OG 3.42Å; L67-S71 VanDerWaalsContact O-OG 3.11Å; L67-L126 HydrophobicContact CB-CD2 3.81Å; L67-Y381 HydrophobicContact CB-CE1 4.46Å; L67-Y381 HydrophobicContact CD2-CE1 4.27Å; L67-Y381 PolarHBondContact O-OH 3.44Å
68	R	96.4	Very high	96	Very high	81 Å²	81	57 Å²	57	31%	0.306	30%	0.303	S	S	.	.	H	α-helix	trans	-63.5	-43.4	171.6	-72.6	-176.1	-172.9	161.8	3.5	112.4	V64 L65 R70 S71 L125 L126	V64-R68 WeakPolarHBondContact O-CG 3.38Å; V64-R68 PolarHBondContact O-N 2.91Å; L65-R68 PolarHBondContact O-N 2.87Å; R68-R70 VanDerWaalsContact C-N 3.31Å; R68-R70 PolarHBondContact O-N 3.35Å; R68-S71 VanDerWaalsContact O-CB 3.29Å; R68-S71 WeakPolarHBondContact O-CB 3.45Å; R68-S71 PolarHBondContact O-N 2.97Å; R68-L125 VanDerWaalsContact CZ-O 3.25Å; R68-L125 PolarHBondContact NE-O 2.97Å; R68-L125 PolarHBondContact NH2-O 3.19Å; R68-L126 HydrophobicContact CB-CD2 4.5Å; R68-L126 HydrophobicContact CG-CD2 3.86Å; R68-L126 WeakPolarHBondContact CG-O 3.34Å
69	Q	96.8	Very high	96.1	Very high	120 Å²	120	57.8 Å²	57.8	56%	0.561	31%	0.306	S	S	*	.	H	α-helix	trans	-63.8	-35.8	176.5	-170.6	-178.8	9.5	0	0	112.5	L65 H66 S71 S72 T73	L65-Q69 PolarHBondContact O-N 3.07Å; H66-Q69 PolarHBondContact O-N 3.45Å; Q69-S71 VanDerWaalsContact C-N 3.3Å; Q69-S71 PolarHBondContact O-N 2.95Å; Q69-S72 PolarHBondContact O-OG 3.49Å; Q69-S72 VanDerWaalsContact O-OG 3.14Å; Q69-T73 PolarHBondContact O-N 2.88Å; Q69-T73 PolarHBondContact O-OG1 3.22Å
70	R	97.5	Very high	96.1	Very high	90 Å²	90	64.1 Å²	64.1	34%	0.34	33%	0.334	S	S	.	.	H	α-helix	trans	-65	-31.3	174.2	-75.3	162.5	175.7	-143.1	14	112.6	H66 L67 R68 S72 T73 T74 H75 Y381	H66-R70 WeakPolarHBondContact O-CB 3.43Å; H66-R70 WeakPolarHBondContact O-CD 3.34Å; H66-R70 VanDerWaalsContact O-CG 3.26Å; H66-R70 WeakPolarHBondContact O-CG 3.34Å; H66-R70 PolarHBondContact O-N 3.07Å; L67-R70 PolarHBondContact O-N 3.33Å; R68-R70 VanDerWaalsContact C-N 3.31Å; R68-R70 PolarHBondContact O-N 3.35Å; R70-S72 VanDerWaalsContact C-N 3.31Å; R70-S72 PolarHBondContact O-N 2.94Å; R70-T73 WeakPolarHBondContact CA-OG1 3.25Å; R70-T73 CarbonylContact O-C 3.56Å; R70-T73 PolarHBondContact O-N 2.89Å; R70-T73 VanDerWaalsContact O-N 3.12Å; R70-T74 PolarHBondContact O-N 2.89Å; R70-H75 HydrophobicContact CB-CB 4.13Å; R70-H75 WeakPolarHBondContact CD-NE2 3.34Å; R70-H75 PolarHBondContact NH1-NE2 2.85Å; R70-H75 PolarHBondContact O-N 3.41Å; R70-Y381 WeakPolarHBondContact CB-OH 3.38Å
71	S	97.3	Very high	96.2	Very high	11 Å²	11	62.9 Å²	62.9	8%	0.077	33%	0.328	C	S	.	.	H	α-helix	trans	-62.8	-35.3	-179.1	-57.1	0	0	0	0	112.9	L67 R68 Q69 S76 Y381	L67-S71 PolarHBondContact O-N 2.94Å; L67-S71 PolarHBondContact O-OG 3.42Å; L67-S71 VanDerWaalsContact O-OG 3.11Å; R68-S71 VanDerWaalsContact O-CB 3.29Å; R68-S71 WeakPolarHBondContact O-CB 3.45Å; R68-S71 PolarHBondContact O-N 2.97Å; Q69-S71 VanDerWaalsContact C-N 3.3Å; Q69-S71 PolarHBondContact O-N 2.95Å; S71-S76 VanDerWaalsContact O-CA 3.27Å; S71-S76 WeakPolarHBondContact O-CA 3.42Å; S71-S76 VanDerWaalsContact O-CB 3.26Å; S71-S76 WeakPolarHBondContact O-CB 3.16Å; S71-Y381 VanDerWaalsContact CA-OH 3.26Å; S71-Y381 WeakPolarHBondContact CA-OH 3.29Å; S71-Y381 PolarHBondContact N-OH 2.95Å; S71-Y381 PolarHBondContact OG-OH 2.86Å
72	S	95.4	Very high	96.5	Very high	96 Å²	96	58.9 Å²	58.9	67%	0.671	31%	0.31	S	S	*	.	H	α-helix	trans	-89.5	-14	176.1	59.5	0	0	0	0	113.5	Q69 R70	Q69-S72 PolarHBondContact O-OG 3.49Å; Q69-S72 VanDerWaalsContact O-OG 3.14Å; R70-S72 VanDerWaalsContact C-N 3.31Å; R70-S72 PolarHBondContact O-N 2.94Å
73	T	96.4	Very high	96.8	Very high	72 Å²	72	61.1 Å²	61.1	44%	0.442	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-109.7	-175.3	60.8	0	0	0	0	111.9	Q69 R70 H75 S76	Q69-T73 PolarHBondContact O-N 2.88Å; Q69-T73 PolarHBondContact O-OG1 3.22Å; R70-T73 WeakPolarHBondContact CA-OG1 3.25Å; R70-T73 CarbonylContact O-C 3.56Å; R70-T73 PolarHBondContact O-N 2.89Å; R70-T73 VanDerWaalsContact O-N 3.12Å; T73-H75 PolarHBondContact O-N 3.08Å; T73-S76 WeakPolarHBondContact O-CB 3.28Å; T73-S76 PolarHBondContact O-N 2.8Å; T73-S76 PolarHBondContact O-OG 3.03Å
74	T	96.6	Very high	97	Very high	65 Å²	65	60.7 Å²	60.7	40%	0.399	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-23.7	-163	71.1	0	0	0	0	114.6	R70 Y384 S386	R70-T74 PolarHBondContact O-N 2.89Å; T74-Y384 WeakPolarHBondContact O-CE1 3.39Å; T74-S386 VanDerWaalsContact CB-CB 3.45Å; T74-S386 WeakPolarHBondContact CB-OG 3.46Å; T74-S386 WeakPolarHBondContact OG1-CB 3.43Å; T74-S386 PolarHBondContact OG1-OG 2.9Å
75	H	98	Very high	97.1	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	6.7	178.6	-58.9	24.4	0	0	0	112.1	R70 T73 Y77 I78 F79 Y381 Y384	R70-H75 HydrophobicContact CB-CB 4.13Å; R70-H75 WeakPolarHBondContact CD-NE2 3.34Å; R70-H75 PolarHBondContact NH1-NE2 2.85Å; R70-H75 PolarHBondContact O-N 3.41Å; T73-H75 PolarHBondContact O-N 3.08Å; H75-Y77 PolarHBondContact O-N 2.8Å; H75-Y77 VanDerWaalsContact O-N 3.09Å; H75-I78 PolarHBondContact O-N 3.43Å; H75-F79 PolarHBondContact O-N 2.81Å; H75-Y381 HydrophobicContact CB-CD2 4.01Å; H75-Y381 HydrophobicContact CB-CE2 3.32Å; H75-Y381 AromaticContact CD2-CZ 3.93Å; H75-Y381 PolarHBondContact CD2-O 3.47Å; H75-Y381 VanDerWaalsContact CD2-O 3.22Å; H75-Y384 AromaticContact CE1-CD1 3.82Å; H75-Y384 PolarHBondContact CE1-O 3.42Å; H75-Y384 AromaticContact CG-CD1 3.87Å; H75-Y384 AromaticContact ND1-CD1 3.63Å; H75-Y384 AromaticContact ND1-CE1 3.93Å; H75-Y384 PolarHBondContact NE2-O 3.06Å
76	S	97.3	Very high	97.2	Very high	33 Å²	33	54.7 Å²	54.7	23%	0.231	28%	0.275	C	S	.	.	H	α-helix	trans	-59.6	-25	-171	60.3	0	0	0	0	115.1	S71 T73 K80	S71-S76 VanDerWaalsContact O-CA 3.27Å; S71-S76 WeakPolarHBondContact O-CA 3.42Å; S71-S76 VanDerWaalsContact O-CB 3.26Å; S71-S76 WeakPolarHBondContact O-CB 3.16Å; T73-S76 WeakPolarHBondContact O-CB 3.28Å; T73-S76 PolarHBondContact O-N 2.8Å; T73-S76 PolarHBondContact O-OG 3.03Å; S76-K80 WeakPolarHBondContact O-CB 3.43Å; S76-K80 WeakPolarHBondContact O-CD 3.25Å; S76-K80 WeakPolarHBondContact O-CG 3.39Å; S76-K80 PolarHBondContact O-N 2.88Å; S76-K80 VanDerWaalsContact O-N 3.07Å
77	Y	95.6	Very high	97.3	Very high	69 Å²	69	53.4 Å²	53.4	27%	0.271	27%	0.271	S	S	.	.	H	α-helix	trans	-74.4	-31	174.3	74.8	-91.1	0	0	0	113	H75 Y384	H75-Y77 PolarHBondContact O-N 2.8Å; H75-Y77 VanDerWaalsContact O-N 3.09Å; Y77-Y384 AromaticContact CE1-CE1 3.82Å; Y77-Y384 HydrophobicContact CE1-CE1 3.82Å; Y77-Y384 AromaticContact CE1-CZ 3.83Å; Y77-Y384 WeakPolarHBondContact OH-CD2 3.22Å; Y77-Y384 WeakPolarHBondContact OH-CE2 3.49Å; Y77-Y384 VanDerWaalsContact OH-CZ 3.26Å
78	I	97.8	Very high	97.3	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-76	-45.8	173.1	-50.4	176.9	0	0	0	109.1	H75 K80 V81 I82 E380 Y381 Y384	H75-I78 PolarHBondContact O-N 3.43Å; I78-K80 VanDerWaalsContact C-N 3.26Å; I78-K80 PolarHBondContact O-N 2.81Å; I78-V81 WeakPolarHBondContact O-CB 3.29Å; I78-V81 PolarHBondContact O-N 2.82Å; I78-I82 HydrophobicContact CG2-CD1 4.33Å; I78-I82 PolarHBondContact O-N 3.28Å; I78-I82 VanDerWaalsContact O-N 3.13Å; I78-E380 HydrophobicContact CD1-CG 4.29Å; I78-E380 WeakPolarHBondContact CG1-OE1 3.26Å; I78-E380 HydrophobicContact CG2-CG 4.4Å; I78-Y381 HydrophobicContact CB-CD2 4.03Å; I78-Y381 HydrophobicContact CG2-CD2 3.94Å; I78-Y384 HydrophobicContact CD1-CD1 3.76Å; I78-Y384 HydrophobicContact CD1-CD2 4.5Å; I78-Y384 HydrophobicContact CD1-CG 3.69Å
79	F	98.4	Very high	97.4	Very high	20 Å²	20	51.4 Å²	51.4	9%	0.088	27%	0.269	C	S	.	.	H	α-helix	trans	-59.2	-35.8	178.9	-172	-112.8	0	0	0	112.8	H75 V81 I82 R83 Y123 L126 Y381	H75-F79 PolarHBondContact O-N 2.81Å; F79-V81 VanDerWaalsContact C-N 3.29Å; F79-V81 PolarHBondContact O-N 3.29Å; F79-I82 PolarHBondContact O-N 3.33Å; F79-R83 WeakPolarHBondContact O-CB 3.22Å; F79-R83 PolarHBondContact O-N 2.91Å; F79-Y123 HydrophobicContact CE2-CD2 4.09Å; F79-Y123 HydrophobicContact CZ-CD2 4.01Å; F79-Y123 HydrophobicContact CZ-CE2 4.09Å; F79-L126 HydrophobicContact CD2-CD1 3.84Å; F79-L126 HydrophobicContact CE2-CB 3.88Å; F79-L126 HydrophobicContact CE2-CD1 3.67Å; F79-L126 HydrophobicContact CE2-CG 4.44Å; F79-L126 HydrophobicContact CZ-CB 4.37Å; F79-Y381 HydrophobicContact CB-CE2 3.97Å; F79-Y381 HydrophobicContact CD2-CE2 4.47Å
80	K	97.9	Very high	97.4	Very high	144 Å²	144	48 Å²	48	63%	0.626	25%	0.254	S	S	*	.	H	α-helix	trans	-59.5	-35.8	172.2	-79.4	166.1	-173.8	174.3	0	113.1	S76 I78 A84	S76-K80 WeakPolarHBondContact O-CB 3.43Å; S76-K80 WeakPolarHBondContact O-CD 3.25Å; S76-K80 WeakPolarHBondContact O-CG 3.39Å; S76-K80 PolarHBondContact O-N 2.88Å; S76-K80 VanDerWaalsContact O-N 3.07Å; I78-K80 VanDerWaalsContact C-N 3.26Å; I78-K80 PolarHBondContact O-N 2.81Å; K80-A84 VanDerWaalsContact O-CB 3.29Å; K80-A84 WeakPolarHBondContact O-CB 3.2Å; K80-A84 PolarHBondContact O-N 2.83Å
81	V	97.1	Very high	97.3	Very high	47 Å²	47	48.5 Å²	48.5	29%	0.285	27%	0.272	S	S	.	.	H	α-helix	trans	-72.5	-42.6	176.6	-177.4	0	0	0	0	110.9	I78 F79 A84 A85 L377	I78-V81 WeakPolarHBondContact O-CB 3.29Å; I78-V81 PolarHBondContact O-N 2.82Å; F79-V81 VanDerWaalsContact C-N 3.29Å; F79-V81 PolarHBondContact O-N 3.29Å; V81-A84 PolarHBondContact O-N 2.8Å; V81-A85 PolarHBondContact O-N 2.78Å; V81-L377 HydrophobicContact CB-CD2 4.42Å; V81-L377 HydrophobicContact CG1-CD1 3.95Å; V81-L377 HydrophobicContact CG1-CD2 3.74Å
82	I	98.6	Very high	97.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.8	-49.4	173.7	-67.9	166.3	0	0	0	110.7	I78 F79 A84 A85 V86 L122 Y123 L377 Y381	I78-I82 HydrophobicContact CG2-CD1 4.33Å; I78-I82 PolarHBondContact O-N 3.28Å; I78-I82 VanDerWaalsContact O-N 3.13Å; F79-I82 PolarHBondContact O-N 3.33Å; I82-A84 PolarHBondContact O-N 3.38Å; I82-A85 WeakPolarHBondContact O-CB 3.44Å; I82-A85 PolarHBondContact O-N 3.48Å; I82-A85 VanDerWaalsContact O-N 3.17Å; I82-V86 PolarHBondContact O-N 3.37Å; I82-L122 HydrophobicContact CD1-CD2 4.16Å; I82-Y123 HydrophobicContact CG2-CD2 4.45Å; I82-L377 HydrophobicContact CG1-CB 3.89Å; I82-L377 HydrophobicContact CG1-CD1 4.37Å; I82-Y381 HydrophobicContact CD1-CD2 4Å; I82-Y381 HydrophobicContact CD1-CG 4.06Å
83	R	98.4	Very high	97.1	Very high	125 Å²	125	48.2 Å²	48.2	47%	0.472	27%	0.266	S	S	.	.	H	α-helix	trans	-61.7	-41.4	177.5	-176.5	168.6	-169.1	-160.5	1.3	112.2	F79 A85 V86 L87 Y123	F79-R83 WeakPolarHBondContact O-CB 3.22Å; F79-R83 PolarHBondContact O-N 2.91Å; R83-A85 VanDerWaalsContact C-N 3.32Å; R83-A85 PolarHBondContact O-N 3.44Å; R83-V86 PolarHBondContact O-N 3.46Å; R83-L87 HydrophobicContact CG-CD1 3.91Å; R83-L87 HydrophobicContact CG-CG 4.3Å; R83-L87 WeakPolarHBondContact O-CB 3.25Å; R83-L87 VanDerWaalsContact O-CG 3.26Å; R83-L87 WeakPolarHBondContact O-CG 3.41Å; R83-L87 PolarHBondContact O-N 2.81Å; R83-Y123 HydrophobicContact CB-CD2 4.26Å; R83-Y123 HydrophobicContact CB-CE2 3.87Å; R83-Y123 HydrophobicContact CG-CE2 3.67Å
84	A	97.8	Very high	96.8	Very high	50 Å²	50	50.4 Å²	50.4	41%	0.413	28%	0.281	S	S	.	.	H	α-helix	trans	-63.5	-37.5	175.2	0	0	0	0	0	112.3	K80 V81 I82 T88	K80-A84 VanDerWaalsContact O-CB 3.29Å; K80-A84 WeakPolarHBondContact O-CB 3.2Å; K80-A84 PolarHBondContact O-N 2.83Å; V81-A84 PolarHBondContact O-N 2.8Å; I82-A84 PolarHBondContact O-N 3.38Å; A84-T88 WeakPolarHBondContact O-CB 3.33Å; A84-T88 PolarHBondContact O-N 2.87Å; A84-T88 PolarHBondContact O-OG1 2.86Å
85	A	97.4	Very high	96.5	Very high	2 Å²	2	50.4 Å²	50.4	2%	0.017	28%	0.284	C	S	.	.	H	α-helix	trans	-61.9	-51.1	174	0	0	0	0	0	111.6	V81 I82 R83 T88 M89 W374 L377	V81-A85 PolarHBondContact O-N 2.78Å; I82-A85 WeakPolarHBondContact O-CB 3.44Å; I82-A85 PolarHBondContact O-N 3.48Å; I82-A85 VanDerWaalsContact O-N 3.17Å; R83-A85 VanDerWaalsContact C-N 3.32Å; R83-A85 PolarHBondContact O-N 3.44Å; A85-T88 WeakPolarHBondContact O-CB 3.38Å; A85-T88 PolarHBondContact O-N 2.95Å; A85-T88 VanDerWaalsContact O-N 3.15Å; A85-M89 WeakPolarHBondContact O-CG 3.43Å; A85-M89 PolarHBondContact O-N 3Å; A85-W374 HydrophobicContact CB-CD2 3.59Å; A85-W374 VanDerWaalsContact CB-CE2 3.42Å; A85-W374 HydrophobicContact CB-CE3 4.14Å; A85-W374 HydrophobicContact CB-CG 3.86Å; A85-W374 HydrophobicContact CB-CH2 4.31Å; A85-W374 HydrophobicContact CB-CZ2 3.81Å; A85-W374 HydrophobicContact CB-CZ3 4.47Å; A85-L377 HydrophobicContact CB-CD1 4.41Å
86	V	98.2	Very high	96.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.1	-43	179.6	175	0	0	0	0	112.2	I82 R83 T88 M89 L90 L120 Y123 A133	I82-V86 PolarHBondContact O-N 3.37Å; R83-V86 PolarHBondContact O-N 3.46Å; V86-T88 VanDerWaalsContact C-N 3.25Å; V86-T88 PolarHBondContact O-N 3.32Å; V86-M89 WeakPolarHBondContact O-CB 3.49Å; V86-M89 PolarHBondContact O-N 3.22Å; V86-M89 VanDerWaalsContact O-N 3.09Å; V86-L90 HydrophobicContact CG1-CD1 4.03Å; V86-L90 HydrophobicContact CG1-CG 4.37Å; V86-L90 WeakPolarHBondContact O-CG 3.38Å; V86-L90 PolarHBondContact O-N 3.27Å; V86-L120 HydrophobicContact CB-CD1 4.3Å; V86-L120 HydrophobicContact CG1-CD1 3.65Å; V86-L120 HydrophobicContact CG2-CB 4.38Å; V86-L120 HydrophobicContact CG2-CD1 3.75Å; V86-Y123 HydrophobicContact CB-CD1 4.15Å; V86-Y123 HydrophobicContact CB-CG 4.2Å; V86-Y123 HydrophobicContact CG1-CD1 3.7Å; V86-Y123 HydrophobicContact CG1-CE1 3.9Å; V86-Y123 HydrophobicContact CG1-CG 4.26Å; V86-Y123 HydrophobicContact CG2-CD1 4.14Å; V86-Y123 HydrophobicContact CG2-CG 3.9Å; V86-A133 HydrophobicContact CG1-CB 4.1Å
87	L	97.9	Very high	96.3	Very high	84 Å²	84	50.7 Å²	50.7	44%	0.44	28%	0.282	S	S	.	.	H	α-helix	trans	-60	-36.9	174.3	-70.8	172.3	0	0	0	111.9	R83 L90 S91	R83-L87 HydrophobicContact CG-CD1 3.91Å; R83-L87 HydrophobicContact CG-CG 4.3Å; R83-L87 WeakPolarHBondContact O-CB 3.25Å; R83-L87 VanDerWaalsContact O-CG 3.26Å; R83-L87 WeakPolarHBondContact O-CG 3.41Å; R83-L87 PolarHBondContact O-N 2.81Å; L87-L90 PolarHBondContact O-N 3.41Å; L87-S91 WeakPolarHBondContact O-CB 3.41Å; L87-S91 PolarHBondContact O-N 3.45Å; L87-S91 PolarHBondContact O-OG 3Å
88	T	97.2	Very high	96.3	Very high	52 Å²	52	47.4 Å²	47.4	32%	0.319	27%	0.269	S	S	.	.	H	α-helix	trans	-67	-38.5	174	-55.4	0	0	0	0	112.1	A84 A85 V86 S91 N92 Y96 W374	A84-T88 WeakPolarHBondContact O-CB 3.33Å; A84-T88 PolarHBondContact O-N 2.87Å; A84-T88 PolarHBondContact O-OG1 2.86Å; A85-T88 WeakPolarHBondContact O-CB 3.38Å; A85-T88 PolarHBondContact O-N 2.95Å; A85-T88 VanDerWaalsContact O-N 3.15Å; V86-T88 VanDerWaalsContact C-N 3.25Å; V86-T88 PolarHBondContact O-N 3.32Å; T88-S91 PolarHBondContact O-OG 3.04Å; T88-S91 VanDerWaalsContact O-OG 3.13Å; T88-N92 PolarHBondContact O-N 3.35Å; T88-Y96 HydrophobicContact CG2-CE2 4.16Å; T88-W374 HydrophobicContact CG2-CH2 3.84Å; T88-W374 HydrophobicContact CG2-CZ2 4.24Å
89	M	97.6	Very high	96.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.3	-46.9	174.1	-65.3	175.7	-163.3	0	0	111.1	A85 V86 N92 A93 Y96 N116 L120 F136 W374	A85-M89 WeakPolarHBondContact O-CG 3.43Å; A85-M89 PolarHBondContact O-N 3Å; V86-M89 WeakPolarHBondContact O-CB 3.49Å; V86-M89 PolarHBondContact O-N 3.22Å; V86-M89 VanDerWaalsContact O-N 3.09Å; M89-N92 CarbonylContact O-C 3.23Å; M89-N92 VanDerWaalsContact O-C 3.23Å; M89-N92 PolarHBondContact O-N 3.43Å; M89-A93 WeakPolarHBondContact O-CA 3.42Å; M89-A93 PolarHBondContact O-N 3.4Å; M89-Y96 HydrophobicContact CB-CD2 4.34Å; M89-Y96 HydrophobicContact CB-CG 4.3Å; M89-Y96 HydrophobicContact CG-CD1 4.26Å; M89-Y96 HydrophobicContact CG-CD2 4.39Å; M89-Y96 HydrophobicContact CG-CG 4.02Å; M89-N116 HydrophobicContact CE-CB 3.69Å; M89-N116 HydrophobicContact SD-CB 4.45Å; M89-L120 HydrophobicContact SD-CB 4.29Å; M89-L120 HydrophobicContact SD-CD1 4.44Å; M89-L120 HydrophobicContact SD-CD2 4.28Å; M89-F136 HydrophobicContact CB-CE1 3.98Å; M89-F136 HydrophobicContact CB-CZ 4.23Å; M89-F136 HydrophobicContact SD-CE1 4.5Å; M89-W374 HydrophobicContact CE-CD2 4.4Å; M89-W374 HydrophobicContact CE-CE3 3.47Å; M89-W374 VanDerWaalsContact CE-CE3 3.47Å; M89-W374 HydrophobicContact CE-CZ3 3.63Å; M89-W374 HydrophobicContact CG-CH2 4.37Å; M89-W374 HydrophobicContact CG-CZ3 3.8Å
90	L	96.8	Very high	96	Very high	48 Å²	48	51.2 Å²	51.2	25%	0.251	30%	0.302	S	S	.	.	H	α-helix	trans	-65.6	-44.9	180	-68.3	171.9	0	0	0	112.1	V86 L87 N92 A93 A133 F136	V86-L90 HydrophobicContact CG1-CD1 4.03Å; V86-L90 HydrophobicContact CG1-CG 4.37Å; V86-L90 WeakPolarHBondContact O-CG 3.38Å; V86-L90 PolarHBondContact O-N 3.27Å; L87-L90 PolarHBondContact O-N 3.41Å; L90-N92 PolarHBondContact O-N 2.88Å; L90-A93 PolarHBondContact O-N 3.2Å; L90-A133 HydrophobicContact CD1-CB 4.19Å; L90-F136 HydrophobicContact CD2-CB 3.52Å; L90-F136 HydrophobicContact CD2-CD1 4.13Å; L90-F136 HydrophobicContact CD2-CD2 4.11Å; L90-F136 HydrophobicContact CD2-CG 3.66Å
91	S	96.5	Very high	95.9	Very high	101 Å²	101	50 Å²	50	71%	0.706	30%	0.296	S	S	*	.	H	α-helix	trans	-66.1	-20.9	-180	67.1	0	0	0	0	113.9	L87 T88	L87-S91 WeakPolarHBondContact O-CB 3.41Å; L87-S91 PolarHBondContact O-N 3.45Å; L87-S91 PolarHBondContact O-OG 3Å; T88-S91 PolarHBondContact O-OG 3.04Å; T88-S91 VanDerWaalsContact O-OG 3.13Å
92	N	94.5	Very high	95.8	Very high	69 Å²	69	49.8 Å²	49.8	37%	0.369	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.5	48.7	178.6	-173.3	4.1	0	0	0	110.5	T88 M89 L90 P94 S95 Y96	T88-N92 PolarHBondContact O-N 3.35Å; M89-N92 CarbonylContact O-C 3.23Å; M89-N92 VanDerWaalsContact O-C 3.23Å; M89-N92 PolarHBondContact O-N 3.43Å; L90-N92 PolarHBondContact O-N 2.88Å; N92-P94 VanDerWaalsContact C-N 3.3Å; N92-P94 VanDerWaalsContact O-N 3.13Å; N92-S95 WeakPolarHBondContact ND2-CB 3.41Å; N92-S95 PolarHBondContact ND2-OG 2.84Å; N92-S95 PolarHBondContact O-N 2.9Å; N92-S95 WeakPolarHBondContact OD1-CB 3.45Å; N92-S95 PolarHBondContact OD1-OG 3.33Å; N92-Y96 HydrophobicContact CB-CD2 4.37Å; N92-Y96 HydrophobicContact CB-CE2 4.12Å; N92-Y96 WeakPolarHBondContact O-CD2 3.35Å
93	A	92.9	Very high	95.7	Very high	32 Å²	32	56.2 Å²	56.2	26%	0.264	32%	0.322	S	S	.	.	H	α-helix	trans	-46.5	-42	-176.6	0	0	0	0	0	114.7	M89 L90 S95 Y96 I97 F136	M89-A93 WeakPolarHBondContact O-CA 3.42Å; M89-A93 PolarHBondContact O-N 3.4Å; L90-A93 PolarHBondContact O-N 3.2Å; A93-S95 PolarHBondContact O-N 2.85Å; A93-Y96 PolarHBondContact O-N 2.79Å; A93-I97 WeakPolarHBondContact O-CB 3.41Å; A93-I97 WeakPolarHBondContact O-CG2 3.33Å; A93-I97 PolarHBondContact O-N 2.9Å; A93-F136 HydrophobicContact CB-CD2 4.32Å; A93-F136 HydrophobicContact CB-CE2 3.77Å
94	P	90.8	Very high	95.5	Very high	117 Å²	117	54.4 Å²	54.4	76%	0.76	32%	0.319	S	S	*	.	H	α-helix	trans	-62.2	-21.9	179	-23.7	35.6	0	0	0	115.2	N92	N92-P94 VanDerWaalsContact C-N 3.3Å; N92-P94 VanDerWaalsContact O-N 3.13Å
95	S	90.3	Very high	95.3	Very high	65 Å²	65	52.1 Å²	52.1	46%	0.455	30%	0.3	S	S	.	.	H	α-helix	trans	-91.4	-11.3	-179	-57.6	0	0	0	0	114.2	N92 A93	N92-S95 WeakPolarHBondContact ND2-CB 3.41Å; N92-S95 PolarHBondContact ND2-OG 2.84Å; N92-S95 PolarHBondContact O-N 2.9Å; N92-S95 WeakPolarHBondContact OD1-CB 3.45Å; N92-S95 PolarHBondContact OD1-OG 3.33Å; A93-S95 PolarHBondContact O-N 2.85Å
96	Y	94.9	Very high	95.2	Very high	22 Å²	22	52.3 Å²	52.3	9%	0.086	30%	0.301	C	S	.	.	H	α-helix	trans	-123.5	-25.4	-174.8	-65	-77	0	0	0	114.1	T88 M89 N92 A93 F140 R373 W374	T88-Y96 HydrophobicContact CG2-CE2 4.16Å; M89-Y96 HydrophobicContact CB-CD2 4.34Å; M89-Y96 HydrophobicContact CB-CG 4.3Å; M89-Y96 HydrophobicContact CG-CD1 4.26Å; M89-Y96 HydrophobicContact CG-CD2 4.39Å; M89-Y96 HydrophobicContact CG-CG 4.02Å; N92-Y96 HydrophobicContact CB-CD2 4.37Å; N92-Y96 HydrophobicContact CB-CE2 4.12Å; N92-Y96 WeakPolarHBondContact O-CD2 3.35Å; A93-Y96 PolarHBondContact O-N 2.79Å; Y96-F140 WeakPolarHBondContact O-CE2 3.43Å; Y96-R373 PolarHBondContact OH-NH2 3.45Å; Y96-W374 AromaticContact CD1-CZ3 3.96Å; Y96-W374 HydrophobicContact CD1-CZ3 3.96Å; Y96-W374 AromaticContact CE1-CH2 3.85Å; Y96-W374 HydrophobicContact CE1-CH2 3.85Å; Y96-W374 AromaticContact CE1-CZ3 3.47Å; Y96-W374 HydrophobicContact CE1-CZ3 3.47Å; Y96-W374 VanDerWaalsContact CE1-CZ3 3.47Å; Y96-W374 AromaticContact CZ-CH2 3.86Å; Y96-W374 AromaticContact CZ-CZ3 3.98Å
97	I	95.4	Very high	94.8	Very high	18 Å²	18	55.3 Å²	55.3	9%	0.092	32%	0.322	C	S	.	.	S	Bend	trans	-72.7	139.5	174.7	-157.9	169.1	0	0	0	110	A93 F136 K139	A93-I97 WeakPolarHBondContact O-CB 3.41Å; A93-I97 WeakPolarHBondContact O-CG2 3.33Å; A93-I97 PolarHBondContact O-N 2.9Å; I97-F136 HydrophobicContact CB-CE2 4Å; I97-F136 HydrophobicContact CB-CZ 4.19Å; I97-F136 HydrophobicContact CD1-CD2 4.5Å; I97-F136 HydrophobicContact CD1-CE2 4.23Å; I97-F136 HydrophobicContact CG1-CE2 4.33Å; I97-K139 HydrophobicContact CD1-CB 4.4Å; I97-K139 HydrophobicContact CD1-CD 3.83Å; I97-K139 HydrophobicContact CD1-CG 3.92Å
98	P	96.4	Very high	94.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-53.3	143.1	172.4	-26.7	33.9	0	0	0	111.2	F105 Y113 F140 R143 M144 Y147	P98-F105 HydrophobicContact CB-CD2 4.25Å; P98-Y113 HydrophobicContact CB-CD1 4.22Å; P98-Y113 HydrophobicContact CB-CE1 4.43Å; P98-Y113 HydrophobicContact CG-CD1 3.76Å; P98-Y113 HydrophobicContact CG-CE1 4.37Å; P98-Y113 HydrophobicContact CG-CG 4.12Å; P98-F140 VanDerWaalsContact CD-CD1 3.45Å; P98-F140 VanDerWaalsContact CD-CG 3.46Å; P98-F140 HydrophobicContact CG-CD1 3.47Å; P98-F140 VanDerWaalsContact CG-CD1 3.47Å; P98-F140 HydrophobicContact CG-CE1 3.49Å; P98-F140 VanDerWaalsContact CG-CE1 3.49Å; P98-F140 HydrophobicContact CG-CG 4.03Å; P98-F140 HydrophobicContact CG-CZ 4.08Å; P98-R143 HydrophobicContact CB-CB 4.13Å; P98-R143 WeakPolarHBondContact O-CD 3.42Å; P98-R143 PolarHBondContact O-NH1 3.48Å; P98-M144 HydrophobicContact CB-CG 4.28Å; P98-M144 HydrophobicContact CG-CG 3.84Å; P98-M144 HydrophobicContact CG-SD 4.13Å; P98-Y147 HydrophobicContact CB-CE2 4.13Å; P98-Y147 WeakPolarHBondContact CB-OH 3.3Å
99	P	96.1	Very high	94.2	Very high	23 Å²	23	59.5 Å²	59.5	15%	0.149	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-57.4	161.2	-178.8	-28.2	37	0	0	0	114.1	K101 E104 F105 Y147	P99-K101 VanDerWaalsContact C-N 3.27Å; P99-K101 PolarHBondContact O-N 3.33Å; P99-E104 HydrophobicContact CB-CB 3.56Å; P99-E104 HydrophobicContact CG-CB 4Å; P99-F105 HydrophobicContact CG-CB 4.34Å; P99-Y147 PolarHBondContact O-OH 2.95Å
100	A	93.9	Very high	94	Very high	77 Å²	77	59.6 Å²	59.6	64%	0.636	33%	0.331	S	S	*	.	S	Bend	trans	-72	-24.8	176.9	0	0	0	0	0	112.6
101	K	95.4	Very high	93.9	Very high	117 Å²	117	57.4 Å²	57.4	51%	0.509	32%	0.32	S	S	.	.	S	Bend	trans	-108.3	149.7	179.1	-56.2	-162	-160.5	109.8	0	111.5	P99 E103 E104 F105	P99-K101 VanDerWaalsContact C-N 3.27Å; P99-K101 PolarHBondContact O-N 3.33Å; K101-E103 WeakPolarHBondContact CB-OE2 3.28Å; K101-E104 HydrophobicContact CB-CB 4.33Å; K101-E104 HydrophobicContact CB-CG 4.13Å; K101-E104 WeakPolarHBondContact CD-OE1 3.44Å; K101-E104 IonicContact NZ-OE1 2.68Å; K101-E104 PolarHBondContact NZ-OE1 3.31Å; K101-F105 PolarHBondContact O-N 3.36Å
102	H	95.9	Very high	93.9	Very high	44 Å²	44	53.7 Å²	53.7	20%	0.204	29%	0.292	C	S	.	.	H	α-helix	trans	-72	-39.2	178.6	-177.6	-130.9	0	0	0	111.6	E104 F105 T106 Y147 D149	H102-E104 PolarHBondContact O-N 3.36Å; H102-F105 CarbonylContact O-C 3.58Å; H102-F105 WeakPolarHBondContact O-CA 3.31Å; H102-F105 WeakPolarHBondContact O-CB 3.44Å; H102-F105 PolarHBondContact O-N 3.45Å; H102-T106 WeakPolarHBondContact NE2-CG2 3.43Å; H102-T106 PolarHBondContact O-N 3.11Å; H102-Y147 HydrophobicContact CB-CD1 4.04Å; H102-Y147 AromaticContact CD2-CD1 3.88Å; H102-Y147 AromaticContact CD2-CG 3.71Å; H102-D149 IonicContact CE1-OD1 3.32Å; H102-D149 PolarHBondContact CE1-OD1 3.36Å; H102-D149 VanDerWaalsContact CE1-OD1 3.32Å; H102-D149 IonicContact CE1-OD2 2.42Å; H102-D149 PolarHBondContact CE1-OD2 3Å; H102-D149 VanDerWaalsContact NE2-CG 3.32Å; H102-D149 PolarHBondContact NE2-N 3.2Å; H102-D149 PolarHBondContact NE2-O 3.07Å; H102-D149 IonicContact NE2-OD1 3.08Å; H102-D149 PolarHBondContact NE2-OD1 3.48Å; H102-D149 VanDerWaalsContact NE2-OD1 3.08Å; H102-D149 IonicContact NE2-OD2 3.65Å
103	E	94.7	Very high	94	Very high	134 Å²	134	52.1 Å²	52.1	63%	0.626	28%	0.281	S	S	*	.	H	α-helix	trans	-61.9	-33	179.8	-53	83.4	170.9	0	0	111.9	K101 S107	K101-E103 WeakPolarHBondContact CB-OE2 3.28Å; E103-S107 VanDerWaalsContact O-CB 3.32Å; E103-S107 WeakPolarHBondContact O-CB 3.36Å; E103-S107 PolarHBondContact O-N 2.9Å
104	E	94.1	Very high	94.2	Very high	87 Å²	87	50.7 Å²	50.7	41%	0.407	27%	0.269	S	S	.	.	H	α-helix	trans	-71.3	-37.2	173.4	-70.3	168.2	-161.4	0	0	111.2	P99 K101 H102 S107	P99-E104 HydrophobicContact CB-CB 3.56Å; P99-E104 HydrophobicContact CG-CB 4Å; K101-E104 HydrophobicContact CB-CB 4.33Å; K101-E104 HydrophobicContact CB-CG 4.13Å; K101-E104 WeakPolarHBondContact CD-OE1 3.44Å; K101-E104 IonicContact NZ-OE1 2.68Å; K101-E104 PolarHBondContact NZ-OE1 3.31Å; H102-E104 PolarHBondContact O-N 3.36Å; E104-S107 PolarHBondContact O-OG 2.85Å
105	F	94.4	Very high	94.6	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.009	24%	0.235	C	C	.	.	H	α-helix	trans	-69.6	-38.8	177	175.3	-87.7	0	0	0	113.1	P98 P99 K101 H102 N110 Y113 M144 Y147 W150	P98-F105 HydrophobicContact CB-CD2 4.25Å; P99-F105 HydrophobicContact CG-CB 4.34Å; K101-F105 PolarHBondContact O-N 3.36Å; H102-F105 CarbonylContact O-C 3.58Å; H102-F105 WeakPolarHBondContact O-CA 3.31Å; H102-F105 WeakPolarHBondContact O-CB 3.44Å; H102-F105 PolarHBondContact O-N 3.45Å; F105-N110 WeakPolarHBondContact CE1-ND2 3.42Å; F105-N110 HydrophobicContact CE2-CB 4.47Å; F105-N110 HydrophobicContact CZ-CB 4.33Å; F105-N110 WeakPolarHBondContact O-CB 3.49Å; F105-N110 PolarHBondContact O-ND2 3.41Å; F105-Y113 AromaticContact CD2-CD2 3.65Å; F105-Y113 HydrophobicContact CD2-CD2 3.65Å; F105-Y113 AromaticContact CD2-CE2 3.76Å; F105-Y113 HydrophobicContact CD2-CE2 3.76Å; F105-Y113 HydrophobicContact CD2-CG 4.42Å; F105-Y113 AromaticContact CE2-CD2 3.29Å; F105-Y113 HydrophobicContact CE2-CD2 3.29Å; F105-Y113 AromaticContact CE2-CE2 3.91Å; F105-Y113 HydrophobicContact CE2-CE2 3.91Å; F105-Y113 AromaticContact CE2-CG 3.91Å; F105-Y113 HydrophobicContact CE2-CG 3.91Å; F105-Y113 HydrophobicContact CZ-CD2 4.23Å; F105-M144 HydrophobicContact CE2-CG 4.44Å; F105-M144 HydrophobicContact CZ-CE 4.48Å; F105-Y147 HydrophobicContact CB-CE1 4.46Å; F105-Y147 HydrophobicContact CB-CE2 3.99Å; F105-Y147 HydrophobicContact CD1-CD2 4Å; F105-Y147 AromaticContact CD1-CE2 3.95Å; F105-Y147 HydrophobicContact CD1-CE2 3.95Å; F105-Y147 HydrophobicContact CD2-CD2 4.12Å; F105-Y147 AromaticContact CD2-CE2 3.3Å; F105-Y147 HydrophobicContact CD2-CE2 3.3Å; F105-Y147 AromaticContact CD2-CZ 3.87Å; F105-Y147 HydrophobicContact CE1-CD2 4.15Å; F105-Y147 HydrophobicContact CE1-CE2 4.28Å; F105-Y147 HydrophobicContact CE2-CD2 4.22Å; F105-Y147 AromaticContact CE2-CE2 3.64Å; F105-Y147 HydrophobicContact CE2-CE2 3.64Å; F105-Y147 HydrophobicContact CG-CD2 4Å; F105-Y147 AromaticContact CG-CE2 3.47Å; F105-Y147 HydrophobicContact CG-CE2 3.47Å; F105-Y147 VanDerWaalsContact CG-CE2 3.47Å; F105-Y147 AromaticContact CG-CZ 3.9Å; F105-Y147 HydrophobicContact CZ-CD2 4.26Å; F105-Y147 HydrophobicContact CZ-CE2 4.13Å; F105-W150 HydrophobicContact CE1-CB 4.35Å
106	T	94.4	Very high	95	Very high	7 Å²	7	42.5 Å²	42.5	4%	0.043	21%	0.214	C	C	.	.	H	α-helix	trans	-85.5	-11	-179.8	67.3	0	0	0	0	113.9	H102 K108 K151 T153	H102-T106 WeakPolarHBondContact NE2-CG2 3.43Å; H102-T106 PolarHBondContact O-N 3.11Å; T106-K108 PolarHBondContact O-N 3.45Å; T106-K151 WeakPolarHBondContact CG2-O 3.45Å; T106-T153 VanDerWaalsContact CB-OG1 3.23Å; T106-T153 WeakPolarHBondContact CB-OG1 3.48Å; T106-T153 PolarHBondContact O-N 3.48Å; T106-T153 PolarHBondContact OG1-OG1 3.47Å
107	S	91.6	Very high	95.1	Very high	63 Å²	63	41.5 Å²	41.5	44%	0.441	21%	0.209	S	C	.	.	S	Bend	trans	-63.3	-19.3	-175.4	67.6	0	0	0	0	115.6	E103 E104	E103-S107 VanDerWaalsContact O-CB 3.32Å; E103-S107 WeakPolarHBondContact O-CB 3.36Å; E103-S107 PolarHBondContact O-N 2.9Å; E104-S107 PolarHBondContact O-OG 2.85Å
108	K	89.9	Confident	95.3	Very high	155 Å²	155	40.9 Å²	40.9	67%	0.674	21%	0.207	S	C	*	.	S	Bend	trans	-144.8	163.7	-173.5	-65.9	175.9	-172.6	172.4	0	109.8	T106 N110	T106-K108 PolarHBondContact O-N 3.45Å; K108-N110 PolarHBondContact O-N 3.21Å; K108-N110 VanDerWaalsContact O-N 3.16Å
109	W	90.8	Very high	95.4	Very high	69 Å²	69	40.9 Å²	40.9	26%	0.261	21%	0.207	S	C	.	.			trans	-57.9	119.3	171.2	-165.2	-99.3	0	0	0	110.3	E111 V152 D158 V160 P161 F649	W109-E111 PolarHBondContact NE1-OE2 2.93Å; W109-V152 HydrophobicContact CE3-CG2 4.48Å; W109-D158 WeakPolarHBondContact CH2-OD2 3.49Å; W109-V160 HydrophobicContact CH2-CB 4.13Å; W109-V160 HydrophobicContact CH2-CG1 4.21Å; W109-V160 HydrophobicContact CZ2-CB 4.21Å; W109-V160 HydrophobicContact CZ2-CG1 3.79Å; W109-P161 HydrophobicContact CD2-CG 4.06Å; W109-P161 HydrophobicContact CE3-CG 3.73Å; W109-P161 HydrophobicContact CH2-CG 3.61Å; W109-P161 HydrophobicContact CZ2-CG 3.92Å; W109-P161 HydrophobicContact CZ3-CG 3.5Å; W109-F649 HydrophobicContact CB-CE1 3.47Å; W109-F649 VanDerWaalsContact CB-CE1 3.47Å; W109-F649 HydrophobicContact CB-CZ 3.68Å; W109-F649 AromaticContact CD1-CZ 3.51Å; W109-F649 HydrophobicContact CD2-CZ 4.33Å; W109-F649 AromaticContact CG-CE1 3.91Å; W109-F649 HydrophobicContact CG-CE1 3.91Å; W109-F649 AromaticContact CG-CZ 3.58Å; W109-F649 HydrophobicContact CG-CZ 3.58Å
110	N	93.6	Very high	95.5	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.011	20%	0.2	C	C	.	.			trans	-116.4	15.2	-161.2	57.1	19.1	0	0	0	113.7	F105 K108 I112 Y113 K151 V152 P161	F105-N110 WeakPolarHBondContact CE1-ND2 3.42Å; F105-N110 HydrophobicContact CE2-CB 4.47Å; F105-N110 HydrophobicContact CZ-CB 4.33Å; F105-N110 WeakPolarHBondContact O-CB 3.49Å; F105-N110 PolarHBondContact O-ND2 3.41Å; K108-N110 PolarHBondContact O-N 3.21Å; K108-N110 VanDerWaalsContact O-N 3.16Å; N110-I112 PolarHBondContact O-N 3.05Å; N110-Y113 HydrophobicContact CB-CD2 3.91Å; N110-Y113 HydrophobicContact CB-CE2 3.99Å; N110-Y113 VanDerWaalsContact O-CD2 3.32Å; N110-Y113 WeakPolarHBondContact O-CD2 3.44Å; N110-Y113 PolarHBondContact O-N 3.17Å; N110-Y113 VanDerWaalsContact O-N 3.09Å; N110-K151 PolarHBondContact ND2-O 3.25Å; N110-K151 VanDerWaalsContact ND2-O 3.08Å; N110-V152 WeakPolarHBondContact OD1-CG2 3.45Å; N110-P161 WeakPolarHBondContact OD1-CB 3.27Å
111	E	95.4	Very high	95.7	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.009	17%	0.169	C	C	.	.	H	α-helix	trans	-51.1	-26.7	176.7	75.4	-177.2	-176.8	0	0	113.8	W109 Y113 G114 N115 H164 Y330 A371 Q372	W109-E111 PolarHBondContact NE1-OE2 2.93Å; E111-Y113 PolarHBondContact O-N 3.42Å; E111-G114 PolarHBondContact O-N 3.23Å; E111-N115 VanDerWaalsContact O-CB 3.28Å; E111-N115 WeakPolarHBondContact O-CB 3.34Å; E111-N115 VanDerWaalsContact O-CG 3.29Å; E111-N115 PolarHBondContact O-N 3.48Å; E111-N115 PolarHBondContact O-ND2 2.71Å; E111-H164 HydrophobicContact CB-CB 4.14Å; E111-Y330 PolarHBondContact OE2-OH 3.18Å; E111-Y330 VanDerWaalsContact OE2-OH 3.08Å; E111-A371 HydrophobicContact CG-CB 3.87Å; E111-Q372 WeakPolarHBondContact OE1-CG 3.47Å; E111-Q372 PolarHBondContact OE1-NE2 3.31Å
112	I	96.2	Very high	95.9	Very high	23 Å²	23	30.5 Å²	30.5	12%	0.118	15%	0.145	C	C	.	.	H	α-helix	trans	-52.3	-37.1	176.9	-172.9	163.7	0	0	0	113.2	N110 N116 A371	N110-I112 PolarHBondContact O-N 3.05Å; I112-N116 VanDerWaalsContact CG1-ND2 3.3Å; I112-N116 WeakPolarHBondContact CG1-ND2 3.39Å; I112-N116 VanDerWaalsContact O-CB 3.26Å; I112-N116 WeakPolarHBondContact O-CB 3.39Å; I112-N116 PolarHBondContact O-N 2.83Å; I112-N116 PolarHBondContact O-ND2 2.6Å; I112-A371 HydrophobicContact CB-CB 3.81Å; I112-A371 HydrophobicContact CG1-CB 4.41Å
113	Y	97.4	Very high	96	Very high	36 Å²	36	28.6 Å²	28.6	14%	0.141	14%	0.136	C	C	.	.	H	α-helix	trans	-75.5	-42.8	-175.4	-55.8	-65.6	0	0	0	111.4	P98 F105 N110 E111 L117 F140	P98-Y113 HydrophobicContact CB-CD1 4.22Å; P98-Y113 HydrophobicContact CB-CE1 4.43Å; P98-Y113 HydrophobicContact CG-CD1 3.76Å; P98-Y113 HydrophobicContact CG-CE1 4.37Å; P98-Y113 HydrophobicContact CG-CG 4.12Å; F105-Y113 AromaticContact CD2-CD2 3.65Å; F105-Y113 HydrophobicContact CD2-CD2 3.65Å; F105-Y113 AromaticContact CD2-CE2 3.76Å; F105-Y113 HydrophobicContact CD2-CE2 3.76Å; F105-Y113 HydrophobicContact CD2-CG 4.42Å; F105-Y113 AromaticContact CE2-CD2 3.29Å; F105-Y113 HydrophobicContact CE2-CD2 3.29Å; F105-Y113 AromaticContact CE2-CE2 3.91Å; F105-Y113 HydrophobicContact CE2-CE2 3.91Å; F105-Y113 AromaticContact CE2-CG 3.91Å; F105-Y113 HydrophobicContact CE2-CG 3.91Å; F105-Y113 HydrophobicContact CZ-CD2 4.23Å; N110-Y113 HydrophobicContact CB-CD2 3.91Å; N110-Y113 HydrophobicContact CB-CE2 3.99Å; N110-Y113 VanDerWaalsContact O-CD2 3.32Å; N110-Y113 WeakPolarHBondContact O-CD2 3.44Å; N110-Y113 PolarHBondContact O-N 3.17Å; N110-Y113 VanDerWaalsContact O-N 3.09Å; E111-Y113 PolarHBondContact O-N 3.42Å; Y113-L117 WeakPolarHBondContact O-CG 3.06Å; Y113-L117 PolarHBondContact O-N 3.01Å; Y113-F140 HydrophobicContact CD1-CE1 4.42Å; Y113-F140 HydrophobicContact CD1-CZ 4.01Å; Y113-F140 WeakPolarHBondContact O-CE1 3.45Å
114	G	97.8	Very high	96.2	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-63.2	-46.2	170.3	0	0	0	0	0	112.6	E111 N116 L117 P118 H164 G168	E111-G114 PolarHBondContact O-N 3.23Å; G114-N116 VanDerWaalsContact C-N 3.31Å; G114-N116 PolarHBondContact O-N 2.97Å; G114-L117 PolarHBondContact O-N 3.02Å; G114-P118 WeakPolarHBondContact O-CD 3.48Å; G114-H164 WeakPolarHBondContact CA-O 3.28Å; G114-G168 VanDerWaalsContact O-CA 3.29Å; G114-G168 WeakPolarHBondContact O-CA 3.39Å
115	N	98.3	Very high	96.4	Very high	11 Å²	11	18.2 Å²	18.2	6%	0.059	9%	0.088	C	C	.	.	H	α-helix	trans	-62.4	-33.3	-178.9	-78.7	-21.6	0	0	0	113.7	E111 P119 H164 Y330 A371 A375	E111-N115 VanDerWaalsContact O-CB 3.28Å; E111-N115 WeakPolarHBondContact O-CB 3.34Å; E111-N115 VanDerWaalsContact O-CG 3.29Å; E111-N115 PolarHBondContact O-N 3.48Å; E111-N115 PolarHBondContact O-ND2 2.71Å; N115-P119 WeakPolarHBondContact O-CD 3.45Å; N115-H164 PolarHBondContact OD1-CE1 3.02Å; N115-H164 PolarHBondContact OD1-ND1 3.39Å; N115-Y330 PolarHBondContact ND2-OH 2.74Å; N115-Y330 VanDerWaalsContact ND2-OH 3.13Å; N115-A371 WeakPolarHBondContact CB-O 3.41Å; N115-A371 PolarHBondContact ND2-O 2.87Å; N115-A375 HydrophobicContact CB-CB 3.75Å; N115-A375 WeakPolarHBondContact O-CA 3.4Å; N115-A375 WeakPolarHBondContact OD1-CB 3.28Å
116	N	98.3	Very high	96.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-85.6	-17.2	-177.3	-71.6	-16.9	0	0	0	114.1	M89 I112 G114 P119 L120	M89-N116 HydrophobicContact CE-CB 3.69Å; M89-N116 HydrophobicContact SD-CB 4.45Å; I112-N116 VanDerWaalsContact CG1-ND2 3.3Å; I112-N116 WeakPolarHBondContact CG1-ND2 3.39Å; I112-N116 VanDerWaalsContact O-CB 3.26Å; I112-N116 WeakPolarHBondContact O-CB 3.39Å; I112-N116 PolarHBondContact O-N 2.83Å; I112-N116 PolarHBondContact O-ND2 2.6Å; G114-N116 VanDerWaalsContact C-N 3.31Å; G114-N116 PolarHBondContact O-N 2.97Å; N116-P119 WeakPolarHBondContact O-CD 3.24Å; N116-P119 WeakPolarHBondContact O-CG 3.37Å; N116-L120 WeakPolarHBondContact O-CB 3.3Å; N116-L120 PolarHBondContact O-N 3.43Å
117	L	98.1	Very high	96.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66.2	-51.4	-177.3	-89.6	170.8	0	0	0	113.9	Y113 G114 L120 A121 L137 F140 M141 M144 F169 A172	Y113-L117 WeakPolarHBondContact O-CG 3.06Å; Y113-L117 PolarHBondContact O-N 3.01Å; G114-L117 PolarHBondContact O-N 3.02Å; L117-L120 PolarHBondContact O-N 3.32Å; L117-A121 WeakPolarHBondContact O-CB 3.46Å; L117-A121 PolarHBondContact O-N 2.74Å; L117-L137 HydrophobicContact CD2-CD1 3.52Å; L117-F140 HydrophobicContact CD1-CD1 4.15Å; L117-F140 HydrophobicContact CD1-CE1 3.9Å; L117-F140 HydrophobicContact CD2-CD1 3.62Å; L117-F140 HydrophobicContact CD2-CE1 3.86Å; L117-F140 HydrophobicContact CD2-CG 4.18Å; L117-F140 HydrophobicContact CG-CD1 3.86Å; L117-F140 HydrophobicContact CG-CE1 3.56Å; L117-F140 HydrophobicContact CG-CZ 4.22Å; L117-M141 HydrophobicContact CD2-CG 3.65Å; L117-M141 HydrophobicContact CD2-SD 4.36Å; L117-M144 HydrophobicContact CD1-CE 4.32Å; L117-M144 HydrophobicContact CD1-SD 3.68Å; L117-F169 HydrophobicContact CD1-CB 4.2Å; L117-F169 HydrophobicContact CD1-CD2 4.1Å; L117-A172 HydrophobicContact CB-CB 4.12Å; L117-A172 HydrophobicContact CD2-CB 4.23Å
118	P	98.6	Very high	96.8	Very high	5 Å²	5	18.5 Å²	18.5	3%	0.032	9%	0.088	C	C	.	.	H	α-helix	trans	-58.5	-46	-179.3	-26.2	35	0	0	0	116.1	G114 L120 A121 L122 T171 H378	G114-P118 WeakPolarHBondContact O-CD 3.48Å; P118-L120 VanDerWaalsContact C-N 3.33Å; P118-L120 PolarHBondContact O-N 2.92Å; P118-A121 PolarHBondContact O-N 3.37Å; P118-L122 WeakPolarHBondContact O-CB 3.38Å; P118-L122 PolarHBondContact O-N 3.38Å; P118-T171 HydrophobicContact CB-CG2 3.95Å; P118-T171 HydrophobicContact CG-CG2 4.2Å; P118-H378 HydrophobicContact CB-CB 4.12Å; P118-H378 VanDerWaalsContact CB-CG 3.48Å; P118-H378 WeakPolarHBondContact CB-ND1 3.43Å
119	P	98.4	Very high	97.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-69.6	-30.3	177.6	28	-35.3	0	0	0	112.8	N115 N116 Y123 W374 L377	N115-P119 WeakPolarHBondContact O-CD 3.45Å; N116-P119 WeakPolarHBondContact O-CD 3.24Å; N116-P119 WeakPolarHBondContact O-CG 3.37Å; P119-Y123 WeakPolarHBondContact O-CB 3.46Å; P119-Y123 PolarHBondContact O-N 3.45Å; P119-W374 HydrophobicContact CG-CB 4.49Å; P119-L377 HydrophobicContact CB-CB 4.29Å
120	L	98.7	Very high	97.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-68.7	-46	173.2	175.5	62.8	0	0	0	111.3	V86 M89 N116 L117 P118 Y123 C124 F136 L137 F140	V86-L120 HydrophobicContact CB-CD1 4.3Å; V86-L120 HydrophobicContact CG1-CD1 3.65Å; V86-L120 HydrophobicContact CG2-CB 4.38Å; V86-L120 HydrophobicContact CG2-CD1 3.75Å; M89-L120 HydrophobicContact SD-CB 4.29Å; M89-L120 HydrophobicContact SD-CD1 4.44Å; M89-L120 HydrophobicContact SD-CD2 4.28Å; N116-L120 WeakPolarHBondContact O-CB 3.3Å; N116-L120 PolarHBondContact O-N 3.43Å; L117-L120 PolarHBondContact O-N 3.32Å; P118-L120 VanDerWaalsContact C-N 3.33Å; P118-L120 PolarHBondContact O-N 2.92Å; L120-Y123 WeakPolarHBondContact O-CB 3.5Å; L120-Y123 PolarHBondContact O-N 3.36Å; L120-C124 PolarHBondContact O-N 3.26Å; L120-C124 PolarHBondContact O-SG 2.99Å; L120-F136 HydrophobicContact CD1-CD1 4.34Å; L120-F136 HydrophobicContact CD2-CD1 3.81Å; L120-F136 HydrophobicContact CD2-CE1 3.9Å; L120-L137 HydrophobicContact CD2-CB 3.97Å; L120-L137 HydrophobicContact CD2-CD1 3.8Å; L120-L137 HydrophobicContact CD2-CG 4.43Å; L120-L137 HydrophobicContact CG-CB 4.06Å; L120-L137 HydrophobicContact CG-CD1 3.98Å; L120-L137 HydrophobicContact CG-CD2 4.49Å; L120-L137 HydrophobicContact CG-CG 4.4Å; L120-F140 HydrophobicContact CD2-CD2 4.32Å
121	A	98.8	Very high	97.5	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.8	-41.9	175.8	0	0	0	0	0	112.4	L117 P118 Y123 C124 L125 L137 A172 F175 I176	L117-A121 WeakPolarHBondContact O-CB 3.46Å; L117-A121 PolarHBondContact O-N 2.74Å; P118-A121 PolarHBondContact O-N 3.37Å; A121-Y123 VanDerWaalsContact C-N 3.34Å; A121-Y123 PolarHBondContact O-N 2.99Å; A121-C124 PolarHBondContact O-N 3.49Å; A121-L125 WeakPolarHBondContact O-CB 3.47Å; A121-L125 PolarHBondContact O-N 2.77Å; A121-L137 HydrophobicContact CB-CD2 4.05Å; A121-A172 HydrophobicContact CB-CB 3.69Å; A121-F175 HydrophobicContact CB-CB 4.11Å; A121-F175 HydrophobicContact CB-CD2 4.27Å; A121-I176 HydrophobicContact CB-CG2 4.15Å
122	L	98.7	Very high	97.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.8	-39.9	174.2	-177.4	61.3	0	0	0	111.7	F59 I82 P118 L125 L126 F175 H378 Y381	F59-L122 HydrophobicContact CZ-CD1 4.39Å; I82-L122 HydrophobicContact CD1-CD2 4.16Å; P118-L122 WeakPolarHBondContact O-CB 3.38Å; P118-L122 PolarHBondContact O-N 3.38Å; L122-L125 PolarHBondContact O-N 3.21Å; L122-L126 HydrophobicContact CD1-CD1 3.92Å; L122-L126 HydrophobicContact CD1-CG 4.15Å; L122-L126 HydrophobicContact CG-CD1 3.8Å; L122-L126 HydrophobicContact CG-CG 4.42Å; L122-L126 WeakPolarHBondContact O-CB 3.33Å; L122-L126 WeakPolarHBondContact O-CG 3Å; L122-L126 PolarHBondContact O-N 2.96Å; L122-F175 HydrophobicContact CB-CD2 4.03Å; L122-F175 HydrophobicContact CB-CE2 4.04Å; L122-F175 HydrophobicContact CD1-CE2 4.34Å; L122-H378 HydrophobicContact CD2-CB 3.89Å; L122-Y381 HydrophobicContact CD2-CD1 3.98Å; L122-Y381 HydrophobicContact CD2-CG 4.18Å
123	Y	98.7	Very high	97.6	Very high	3 Å²	3	21.6 Å²	21.6	1%	0.012	13%	0.128	C	C	.	.	H	α-helix	trans	-61.2	-48.7	173.7	177.8	-95.9	0	0	0	111.9	F79 I82 R83 V86 P119 L120 A121 L125 L126 C127 D130 A133	F79-Y123 HydrophobicContact CE2-CD2 4.09Å; F79-Y123 HydrophobicContact CZ-CD2 4.01Å; F79-Y123 HydrophobicContact CZ-CE2 4.09Å; I82-Y123 HydrophobicContact CG2-CD2 4.45Å; R83-Y123 HydrophobicContact CB-CD2 4.26Å; R83-Y123 HydrophobicContact CB-CE2 3.87Å; R83-Y123 HydrophobicContact CG-CE2 3.67Å; V86-Y123 HydrophobicContact CB-CD1 4.15Å; V86-Y123 HydrophobicContact CB-CG 4.2Å; V86-Y123 HydrophobicContact CG1-CD1 3.7Å; V86-Y123 HydrophobicContact CG1-CE1 3.9Å; V86-Y123 HydrophobicContact CG1-CG 4.26Å; V86-Y123 HydrophobicContact CG2-CD1 4.14Å; V86-Y123 HydrophobicContact CG2-CG 3.9Å; P119-Y123 WeakPolarHBondContact O-CB 3.46Å; P119-Y123 PolarHBondContact O-N 3.45Å; L120-Y123 WeakPolarHBondContact O-CB 3.5Å; L120-Y123 PolarHBondContact O-N 3.36Å; A121-Y123 VanDerWaalsContact C-N 3.34Å; A121-Y123 PolarHBondContact O-N 2.99Å; Y123-L125 VanDerWaalsContact C-N 3.27Å; Y123-L125 PolarHBondContact O-N 2.76Å; Y123-L126 PolarHBondContact O-N 2.98Å; Y123-C127 HydrophobicContact CE1-CB 4.44Å; Y123-C127 HydrophobicContact CE2-CB 4.37Å; Y123-C127 PolarHBondContact O-N 3.43Å; Y123-D130 HydrophobicContact CE1-CB 3.98Å; Y123-D130 VanDerWaalsContact CE1-OD2 3.26Å; Y123-D130 WeakPolarHBondContact CE1-OD2 3.31Å; Y123-D130 PolarHBondContact OH-OD2 3.19Å; Y123-A133 HydrophobicContact CD1-CB 3.89Å; Y123-A133 HydrophobicContact CE1-CB 3.66Å
124	C	98.4	Very high	97.7	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.014	13%	0.129	C	C	.	.	H	α-helix	trans	-62.5	-33.6	178.3	-63.4	0	0	0	0	112.5	L120 A121 C127 P128 A133 L134 L137 I176	L120-C124 PolarHBondContact O-N 3.26Å; L120-C124 PolarHBondContact O-SG 2.99Å; A121-C124 PolarHBondContact O-N 3.49Å; C124-C127 CarbonylContact O-C 3.6Å; C124-P128 WeakPolarHBondContact O-CA 3.27Å; C124-A133 VanDerWaalsContact SG-C 3.6Å; C124-L134 HydrophobicContact CB-CD1 4.41Å; C124-L137 HydrophobicContact CB-CD2 3.99Å; C124-I176 HydrophobicContact CB-CG2 4.42Å
125	L	97.4	Very high	97.7	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-69.6	-33.2	173	-178.6	60.9	0	0	0	112.7	P55 F59 V64 R68 A121 L122 Y123 F175 F179	P55-L125 HydrophobicContact CG-CD2 4.14Å; F59-L125 HydrophobicContact CE2-CD2 3.75Å; F59-L125 HydrophobicContact CZ-CD2 3.79Å; V64-L125 HydrophobicContact CG1-CD1 3.78Å; V64-L125 HydrophobicContact CG1-CD2 4.47Å; V64-L125 HydrophobicContact CG1-CG 3.96Å; V64-L125 HydrophobicContact CG2-CD1 4.3Å; V64-L125 HydrophobicContact CG2-CD2 4.19Å; V64-L125 HydrophobicContact CG2-CG 4.5Å; R68-L125 VanDerWaalsContact CZ-O 3.25Å; R68-L125 PolarHBondContact NE-O 2.97Å; R68-L125 PolarHBondContact NH2-O 3.19Å; A121-L125 WeakPolarHBondContact O-CB 3.47Å; A121-L125 PolarHBondContact O-N 2.77Å; L122-L125 PolarHBondContact O-N 3.21Å; Y123-L125 VanDerWaalsContact C-N 3.27Å; Y123-L125 PolarHBondContact O-N 2.76Å; L125-F175 WeakPolarHBondContact CD1-O 3.28Å; L125-F175 HydrophobicContact CD2-CB 4.25Å; L125-F179 HydrophobicContact CD1-CE2 4.09Å; L125-F179 HydrophobicContact CD1-CZ 4.13Å
126	L	97.7	Very high	97.7	Very high	9 Å²	9	27.5 Å²	27.5	5%	0.047	16%	0.156	C	C	.	.	H	α-helix	trans	-84.3	-33.5	-179.6	-67.2	170.8	0	0	0	113.2	L67 R68 F79 L122 Y123 P128 Y381	L67-L126 HydrophobicContact CB-CD2 3.81Å; R68-L126 HydrophobicContact CB-CD2 4.5Å; R68-L126 HydrophobicContact CG-CD2 3.86Å; R68-L126 WeakPolarHBondContact CG-O 3.34Å; F79-L126 HydrophobicContact CD2-CD1 3.84Å; F79-L126 HydrophobicContact CE2-CB 3.88Å; F79-L126 HydrophobicContact CE2-CD1 3.67Å; F79-L126 HydrophobicContact CE2-CG 4.44Å; F79-L126 HydrophobicContact CZ-CB 4.37Å; L122-L126 HydrophobicContact CD1-CD1 3.92Å; L122-L126 HydrophobicContact CD1-CG 4.15Å; L122-L126 HydrophobicContact CG-CD1 3.8Å; L122-L126 HydrophobicContact CG-CG 4.42Å; L122-L126 WeakPolarHBondContact O-CB 3.33Å; L122-L126 WeakPolarHBondContact O-CG 3Å; L122-L126 PolarHBondContact O-N 2.96Å; Y123-L126 PolarHBondContact O-N 2.98Å; L126-P128 VanDerWaalsContact C-CD 3.49Å; L126-P128 WeakPolarHBondContact O-CD 3.13Å; L126-Y381 HydrophobicContact CD1-CD1 4.44Å; L126-Y381 HydrophobicContact CD1-CE1 3.94Å
127	C	96.9	Very high	97.7	Very high	18 Å²	18	27.5 Å²	27.5	12%	0.122	16%	0.156	C	C	.	.			trans	-122.7	68.5	178.2	-81.2	0	0	0	0	111	Y123 C124 E129 D130	Y123-C127 HydrophobicContact CE1-CB 4.44Å; Y123-C127 HydrophobicContact CE2-CB 4.37Å; Y123-C127 PolarHBondContact O-N 3.43Å; C124-C127 CarbonylContact O-C 3.6Å; C127-E129 VanDerWaalsContact C-OE2 3.28Å; C127-E129 WeakPolarHBondContact CA-OE1 3.43Å; C127-E129 WeakPolarHBondContact CA-OE2 3.39Å; C127-E129 VanDerWaalsContact CB-OE1 3.31Å; C127-E129 WeakPolarHBondContact CB-OE1 3.03Å; C127-E129 PolarHBondContact O-N 3.23Å; C127-E129 VanDerWaalsContact O-N 3.14Å; C127-E129 PolarHBondContact SG-OE1 3.48Å; C127-D130 PolarHBondContact O-N 3.23Å
128	P	94.8	Very high	97.7	Very high	50 Å²	50	28 Å²	28	33%	0.325	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-16.3	-180	29.9	-39.4	0	0	0	113.9	C124 L126 D130 F179	C124-P128 WeakPolarHBondContact O-CA 3.27Å; L126-P128 VanDerWaalsContact C-CD 3.49Å; L126-P128 WeakPolarHBondContact O-CD 3.13Å; P128-D130 VanDerWaalsContact C-N 3.27Å; P128-D130 PolarHBondContact O-N 3.26Å; P128-F179 HydrophobicContact CB-CE1 4.37Å; P128-F179 HydrophobicContact CB-CZ 4.16Å
129	E	95.4	Very high	97.7	Very high	140 Å²	140	33 Å²	33	65%	0.654	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-19.2	172.9	66.8	-76.6	176.5	0	0	113.9	C127 S131	C127-E129 VanDerWaalsContact C-OE2 3.28Å; C127-E129 WeakPolarHBondContact CA-OE1 3.43Å; C127-E129 WeakPolarHBondContact CA-OE2 3.39Å; C127-E129 VanDerWaalsContact CB-OE1 3.31Å; C127-E129 WeakPolarHBondContact CB-OE1 3.03Å; C127-E129 PolarHBondContact O-N 3.23Å; C127-E129 VanDerWaalsContact O-N 3.14Å; C127-E129 PolarHBondContact SG-OE1 3.48Å; E129-S131 VanDerWaalsContact C-N 3.28Å; E129-S131 PolarHBondContact O-N 3.49Å
130	D	97.1	Very high	97.7	Very high	35 Å²	35	33 Å²	33	19%	0.187	18%	0.18	C	C	.	.			trans	-82	73.5	177.3	-163.3	-28.2	0	0	0	110.6	Y123 C127 P128 A132 A133 L134	Y123-D130 HydrophobicContact CE1-CB 3.98Å; Y123-D130 VanDerWaalsContact CE1-OD2 3.26Å; Y123-D130 WeakPolarHBondContact CE1-OD2 3.31Å; Y123-D130 PolarHBondContact OH-OD2 3.19Å; C127-D130 PolarHBondContact O-N 3.23Å; P128-D130 VanDerWaalsContact C-N 3.27Å; P128-D130 PolarHBondContact O-N 3.26Å; D130-A132 PolarHBondContact O-N 2.99Å; D130-A133 HydrophobicContact CB-CB 4.07Å; D130-A133 PolarHBondContact O-N 3.11Å; D130-A133 VanDerWaalsContact O-N 3.14Å; D130-A133 WeakPolarHBondContact OD1-CB 3.46Å; D130-A133 PolarHBondContact OD1-N 3.3Å; D130-L134 PolarHBondContact O-N 3.46Å
131	S	95.6	Very high	97.7	Very high	83 Å²	83	33 Å²	33	58%	0.58	18%	0.18	S	C	*	.	H	α-helix	trans	-60.5	-25.3	-179.5	63.8	0	0	0	0	113.3	E129 Q135	E129-S131 VanDerWaalsContact C-N 3.28Å; E129-S131 PolarHBondContact O-N 3.49Å; S131-Q135 WeakPolarHBondContact O-CB 3.28Å; S131-Q135 VanDerWaalsContact O-CG 3.24Å; S131-Q135 WeakPolarHBondContact O-CG 3.46Å; S131-Q135 PolarHBondContact O-N 3.49Å
132	A	97.5	Very high	97.6	Very high	59 Å²	59	34.9 Å²	34.9	49%	0.488	19%	0.19	S	C	.	.	H	α-helix	trans	-70	-44.7	174.8	0	0	0	0	0	111.6	D130 F136	D130-A132 PolarHBondContact O-N 2.99Å; A132-F136 WeakPolarHBondContact O-CB 3.1Å; A132-F136 PolarHBondContact O-N 3.39Å
133	A	98	Very high	97.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62	-42.5	172.7	0	0	0	0	0	112.2	V86 L90 Y123 C124 D130 F136 L137	V86-A133 HydrophobicContact CG1-CB 4.1Å; L90-A133 HydrophobicContact CD1-CB 4.19Å; Y123-A133 HydrophobicContact CD1-CB 3.89Å; Y123-A133 HydrophobicContact CE1-CB 3.66Å; C124-A133 VanDerWaalsContact SG-C 3.6Å; D130-A133 HydrophobicContact CB-CB 4.07Å; D130-A133 PolarHBondContact O-N 3.11Å; D130-A133 VanDerWaalsContact O-N 3.14Å; D130-A133 WeakPolarHBondContact OD1-CB 3.46Å; D130-A133 PolarHBondContact OD1-N 3.3Å; A133-F136 PolarHBondContact O-N 3.02Å; A133-L137 WeakPolarHBondContact O-CB 3.28Å; A133-L137 PolarHBondContact O-N 3.43Å
134	L	97.9	Very high	97.6	Very high	31 Å²	31	38 Å²	38	16%	0.162	20%	0.202	C	C	.	.	H	α-helix	trans	-63.6	-46.4	177.5	-177.9	60	0	0	0	112.1	C124 D130 F136 L137 L138 F179	C124-L134 HydrophobicContact CB-CD1 4.41Å; D130-L134 PolarHBondContact O-N 3.46Å; L134-F136 VanDerWaalsContact C-N 3.32Å; L134-F136 PolarHBondContact O-N 3.38Å; L134-L137 PolarHBondContact O-N 3.09Å; L134-L138 HydrophobicContact CD1-CG 4.33Å; L134-L138 HydrophobicContact CG-CD1 4.29Å; L134-L138 WeakPolarHBondContact O-CG 3.32Å; L134-L138 PolarHBondContact O-N 3.27Å; L134-F179 HydrophobicContact CD1-CB 4.32Å; L134-F179 HydrophobicContact CD1-CD2 4.34Å; L134-F179 HydrophobicContact CD2-CB 4.43Å
135	Q	97.7	Very high	97.6	Very high	122 Å²	122	38.5 Å²	38.5	57%	0.57	21%	0.206	S	C	*	.	H	α-helix	trans	-65.7	-33.5	177.6	-70.4	-65.1	-24.2	0	0	112.7	S131 K139	S131-Q135 WeakPolarHBondContact O-CB 3.28Å; S131-Q135 VanDerWaalsContact O-CG 3.24Å; S131-Q135 WeakPolarHBondContact O-CG 3.46Å; S131-Q135 PolarHBondContact O-N 3.49Å; Q135-K139 WeakPolarHBondContact O-CB 3.47Å; Q135-K139 PolarHBondContact O-N 2.97Å; Q135-K139 VanDerWaalsContact O-N 3.12Å
136	F	98.4	Very high	97.5	Very high	18 Å²	18	44.5 Å²	44.5	8%	0.079	24%	0.239	C	C	.	.	H	α-helix	trans	-64	-46.2	171.4	179.4	-98.5	0	0	0	111.6	M89 L90 A93 I97 L120 A132 A133 L134 K139 F140	M89-F136 HydrophobicContact CB-CE1 3.98Å; M89-F136 HydrophobicContact CB-CZ 4.23Å; M89-F136 HydrophobicContact SD-CE1 4.5Å; L90-F136 HydrophobicContact CD2-CB 3.52Å; L90-F136 HydrophobicContact CD2-CD1 4.13Å; L90-F136 HydrophobicContact CD2-CD2 4.11Å; L90-F136 HydrophobicContact CD2-CG 3.66Å; A93-F136 HydrophobicContact CB-CD2 4.32Å; A93-F136 HydrophobicContact CB-CE2 3.77Å; I97-F136 HydrophobicContact CB-CE2 4Å; I97-F136 HydrophobicContact CB-CZ 4.19Å; I97-F136 HydrophobicContact CD1-CD2 4.5Å; I97-F136 HydrophobicContact CD1-CE2 4.23Å; I97-F136 HydrophobicContact CG1-CE2 4.33Å; L120-F136 HydrophobicContact CD1-CD1 4.34Å; L120-F136 HydrophobicContact CD2-CD1 3.81Å; L120-F136 HydrophobicContact CD2-CE1 3.9Å; A132-F136 WeakPolarHBondContact O-CB 3.1Å; A132-F136 PolarHBondContact O-N 3.39Å; A133-F136 PolarHBondContact O-N 3.02Å; L134-F136 VanDerWaalsContact C-N 3.32Å; L134-F136 PolarHBondContact O-N 3.38Å; F136-K139 PolarHBondContact O-N 3Å; F136-F140 AromaticContact CE1-CD2 3.89Å; F136-F140 HydrophobicContact CE1-CD2 3.89Å; F136-F140 HydrophobicContact CE1-CE2 4.44Å; F136-F140 HydrophobicContact CZ-CD2 4.17Å; F136-F140 WeakPolarHBondContact O-CB 3.27Å; F136-F140 PolarHBondContact O-N 3.35Å
137	L	98.5	Very high	97.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.5	-45.9	177.1	173.6	59.8	0	0	0	112.7	L117 L120 A121 C124 A133 L134 K139 F140 M141 I176	L117-L137 HydrophobicContact CD2-CD1 3.52Å; L120-L137 HydrophobicContact CD2-CB 3.97Å; L120-L137 HydrophobicContact CD2-CD1 3.8Å; L120-L137 HydrophobicContact CD2-CG 4.43Å; L120-L137 HydrophobicContact CG-CB 4.06Å; L120-L137 HydrophobicContact CG-CD1 3.98Å; L120-L137 HydrophobicContact CG-CD2 4.49Å; L120-L137 HydrophobicContact CG-CG 4.4Å; A121-L137 HydrophobicContact CB-CD2 4.05Å; C124-L137 HydrophobicContact CB-CD2 3.99Å; A133-L137 WeakPolarHBondContact O-CB 3.28Å; A133-L137 PolarHBondContact O-N 3.43Å; L134-L137 PolarHBondContact O-N 3.09Å; L137-K139 VanDerWaalsContact C-N 3.35Å; L137-K139 PolarHBondContact O-N 3.22Å; L137-F140 VanDerWaalsContact O-CB 3.31Å; L137-F140 WeakPolarHBondContact O-CB 3.24Å; L137-F140 PolarHBondContact O-N 2.04Å; L137-F140 VanDerWaalsContact O-N 3.16Å; L137-M141 HydrophobicContact CD1-CG 4.07Å; L137-M141 HydrophobicContact CD1-SD 4Å; L137-M141 HydrophobicContact CG-SD 4.46Å; L137-M141 PolarHBondContact O-N 2.88Å; L137-I176 HydrophobicContact CD2-CD1 3.84Å; L137-I176 HydrophobicContact CD2-CG1 4.35Å; L137-I176 HydrophobicContact CD2-CG2 3.81Å; L137-I176 HydrophobicContact CG-CD1 4.1Å
138	L	98.4	Very high	97.4	Very high	11 Å²	11	48.7 Å²	48.7	6%	0.058	26%	0.264	C	S	.	.	H	α-helix	trans	-58.1	-48.5	176.1	-69	174.6	0	0	0	110.6	L134 F140 M141 D142 I176 L180 Y188	L134-L138 HydrophobicContact CD1-CG 4.33Å; L134-L138 HydrophobicContact CG-CD1 4.29Å; L134-L138 WeakPolarHBondContact O-CG 3.32Å; L134-L138 PolarHBondContact O-N 3.27Å; L138-F140 VanDerWaalsContact C-N 3.27Å; L138-F140 PolarHBondContact O-N 3.28Å; L138-M141 PolarHBondContact O-N 3.06Å; L138-D142 WeakPolarHBondContact O-CB 3.44Å; L138-D142 PolarHBondContact O-N 2.93Å; L138-I176 HydrophobicContact CD2-CD1 4.14Å; L138-L180 HydrophobicContact CD2-CD2 3.54Å; L138-Y188 PolarHBondContact O-OH 2.94Å
139	K	97.9	Very high	97.3	Very high	111 Å²	111	48.2 Å²	48.2	48%	0.483	26%	0.259	S	S	.	.	H	α-helix	trans	-63.7	-29.9	177.4	-169.7	-178.1	178.3	175	0	113.5	I97 Q135 F136 L137 R143	I97-K139 HydrophobicContact CD1-CB 4.4Å; I97-K139 HydrophobicContact CD1-CD 3.83Å; I97-K139 HydrophobicContact CD1-CG 3.92Å; Q135-K139 WeakPolarHBondContact O-CB 3.47Å; Q135-K139 PolarHBondContact O-N 2.97Å; Q135-K139 VanDerWaalsContact O-N 3.12Å; F136-K139 PolarHBondContact O-N 3Å; L137-K139 VanDerWaalsContact C-N 3.35Å; L137-K139 PolarHBondContact O-N 3.22Å; K139-R143 WeakPolarHBondContact O-CG 3.24Å; K139-R143 PolarHBondContact O-N 2.86Å
140	F	98.4	Very high	97.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-68.1	-50.5	174.7	-163.7	-58.2	0	0	0	110.3	Y96 P98 Y113 L117 L120 F136 L137 L138 R143 M144	Y96-F140 WeakPolarHBondContact O-CE2 3.43Å; P98-F140 VanDerWaalsContact CD-CD1 3.45Å; P98-F140 VanDerWaalsContact CD-CG 3.46Å; P98-F140 HydrophobicContact CG-CD1 3.47Å; P98-F140 VanDerWaalsContact CG-CD1 3.47Å; P98-F140 HydrophobicContact CG-CE1 3.49Å; P98-F140 VanDerWaalsContact CG-CE1 3.49Å; P98-F140 HydrophobicContact CG-CG 4.03Å; P98-F140 HydrophobicContact CG-CZ 4.08Å; Y113-F140 HydrophobicContact CD1-CE1 4.42Å; Y113-F140 HydrophobicContact CD1-CZ 4.01Å; Y113-F140 WeakPolarHBondContact O-CE1 3.45Å; L117-F140 HydrophobicContact CD1-CD1 4.15Å; L117-F140 HydrophobicContact CD1-CE1 3.9Å; L117-F140 HydrophobicContact CD2-CD1 3.62Å; L117-F140 HydrophobicContact CD2-CE1 3.86Å; L117-F140 HydrophobicContact CD2-CG 4.18Å; L117-F140 HydrophobicContact CG-CD1 3.86Å; L117-F140 HydrophobicContact CG-CE1 3.56Å; L117-F140 HydrophobicContact CG-CZ 4.22Å; L120-F140 HydrophobicContact CD2-CD2 4.32Å; F136-F140 AromaticContact CE1-CD2 3.89Å; F136-F140 HydrophobicContact CE1-CD2 3.89Å; F136-F140 HydrophobicContact CE1-CE2 4.44Å; F136-F140 HydrophobicContact CZ-CD2 4.17Å; F136-F140 WeakPolarHBondContact O-CB 3.27Å; F136-F140 PolarHBondContact O-N 3.35Å; L137-F140 VanDerWaalsContact O-CB 3.31Å; L137-F140 WeakPolarHBondContact O-CB 3.24Å; L137-F140 PolarHBondContact O-N 2.04Å; L137-F140 VanDerWaalsContact O-N 3.16Å; L138-F140 VanDerWaalsContact C-N 3.27Å; L138-F140 PolarHBondContact O-N 3.28Å; F140-R143 PolarHBondContact O-N 3.28Å; F140-M144 HydrophobicContact CD1-SD 4.12Å; F140-M144 HydrophobicContact CE1-SD 3.8Å; F140-M144 PolarHBondContact O-N 2.74Å
141	M	98.6	Very high	97.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-69	-39.3	179.1	-67.3	-174	74.9	0	0	112.1	L117 L137 L138 R143 M144 A145 F169 A172 I176 Y188	L117-M141 HydrophobicContact CD2-CG 3.65Å; L117-M141 HydrophobicContact CD2-SD 4.36Å; L137-M141 HydrophobicContact CD1-CG 4.07Å; L137-M141 HydrophobicContact CD1-SD 4Å; L137-M141 HydrophobicContact CG-SD 4.46Å; L137-M141 PolarHBondContact O-N 2.88Å; L138-M141 PolarHBondContact O-N 3.06Å; M141-R143 PolarHBondContact O-N 2.9Å; M141-M144 PolarHBondContact O-N 3.12Å; M141-M144 VanDerWaalsContact O-N 3.17Å; M141-A145 VanDerWaalsContact O-CB 3.31Å; M141-A145 WeakPolarHBondContact O-CB 3.34Å; M141-A145 PolarHBondContact O-N 3.43Å; M141-F169 HydrophobicContact CB-CE2 3.8Å; M141-F169 HydrophobicContact CB-CZ 4.4Å; M141-F169 HydrophobicContact CE-CD1 4.16Å; M141-F169 HydrophobicContact CE-CD2 3.92Å; M141-F169 HydrophobicContact CE-CE1 4.02Å; M141-F169 HydrophobicContact CE-CE2 3.77Å; M141-F169 HydrophobicContact CE-CG 4.11Å; M141-F169 HydrophobicContact CE-CZ 3.81Å; M141-F169 HydrophobicContact CG-CD2 4.34Å; M141-F169 HydrophobicContact CG-CE2 4.09Å; M141-A172 HydrophobicContact CE-CB 3.95Å; M141-A172 HydrophobicContact SD-CB 3.82Å; M141-I176 HydrophobicContact SD-CD1 4Å; M141-I176 HydrophobicContact SD-CG1 4.42Å; M141-Y188 HydrophobicContact CB-CD2 4.4Å; M141-Y188 HydrophobicContact CB-CE1 4.29Å; M141-Y188 HydrophobicContact CB-CE2 3.59Å; M141-Y188 WeakPolarHBondContact CB-OH 3.4Å; M141-Y188 HydrophobicContact CE-CD2 3.67Å; M141-Y188 HydrophobicContact CE-CE2 3.85Å; M141-Y188 HydrophobicContact CG-CE2 4.41Å; M141-Y188 HydrophobicContact SD-CD2 4.45Å; M141-Y188 HydrophobicContact SD-CE2 4.04Å
142	D	98.4	Very high	97.2	Very high	39 Å²	39	39.8 Å²	39.8	21%	0.209	21%	0.208	C	C	.	.	H	α-helix	trans	-54.1	-40.3	173.5	-71.9	-24.9	0	0	0	111.6	L138 N146 R184 Y188	L138-D142 WeakPolarHBondContact O-CB 3.44Å; L138-D142 PolarHBondContact O-N 2.93Å; D142-N146 PolarHBondContact O-N 2.86Å; D142-N146 PolarHBondContact O-ND2 3.49Å; D142-R184 IonicContact OD1-CZ 3.24Å; D142-R184 IonicContact OD1-NE 2.96Å; D142-R184 PolarHBondContact OD1-NE 3.02Å; D142-R184 IonicContact OD1-NH2 2.64Å; D142-R184 IonicContact OD2-CZ 3.42Å; D142-R184 IonicContact OD2-NE 3.61Å; D142-R184 PolarHBondContact OD2-NE 3.06Å; D142-R184 IonicContact OD2-NH2 3.26Å; D142-R184 PolarHBondContact OD2-NH2 2.84Å; D142-Y188 PolarHBondContact N-OH 3.2Å; D142-Y188 PolarHBondContact OD1-OH 3.02Å
143	R	97.6	Very high	96.9	Very high	67 Å²	67	41.7 Å²	41.7	25%	0.253	21%	0.214	S	C	.	.	H	α-helix	trans	-67.6	-48.8	176.4	-75.1	-178	174.3	-174	-5.8	112.2	P98 K139 F140 M141 A145 N146 Y147	P98-R143 HydrophobicContact CB-CB 4.13Å; P98-R143 WeakPolarHBondContact O-CD 3.42Å; P98-R143 PolarHBondContact O-NH1 3.48Å; K139-R143 WeakPolarHBondContact O-CG 3.24Å; K139-R143 PolarHBondContact O-N 2.86Å; F140-R143 PolarHBondContact O-N 3.28Å; M141-R143 PolarHBondContact O-N 2.9Å; R143-A145 VanDerWaalsContact C-N 3.31Å; R143-A145 PolarHBondContact O-N 2.82Å; R143-N146 PolarHBondContact O-N 3.38Å; R143-Y147 PolarHBondContact O-N 3.32Å
144	M	98.2	Very high	96.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65	-33.8	179.6	-73.4	-176.9	68.5	0	0	113.1	P98 F105 L117 F140 M141 N146 Y147 W150 F169	P98-M144 HydrophobicContact CB-CG 4.28Å; P98-M144 HydrophobicContact CG-CG 3.84Å; P98-M144 HydrophobicContact CG-SD 4.13Å; F105-M144 HydrophobicContact CE2-CG 4.44Å; F105-M144 HydrophobicContact CZ-CE 4.48Å; L117-M144 HydrophobicContact CD1-CE 4.32Å; L117-M144 HydrophobicContact CD1-SD 3.68Å; F140-M144 HydrophobicContact CD1-SD 4.12Å; F140-M144 HydrophobicContact CE1-SD 3.8Å; F140-M144 PolarHBondContact O-N 2.74Å; M141-M144 PolarHBondContact O-N 3.12Å; M141-M144 VanDerWaalsContact O-N 3.17Å; M144-N146 VanDerWaalsContact C-N 3.33Å; M144-N146 PolarHBondContact O-N 2.97Å; M144-Y147 HydrophobicContact CG-CD2 4.37Å; M144-Y147 HydrophobicContact CG-CE2 4.05Å; M144-Y147 PolarHBondContact O-N 3.5Å; M144-W150 HydrophobicContact CB-CZ2 4.22Å; M144-W150 HydrophobicContact CE-CD2 4.33Å; M144-W150 HydrophobicContact CE-CZ2 4.34Å; M144-W150 PolarHBondContact O-NE1 3.33Å; M144-F169 HydrophobicContact CB-CD2 4Å; M144-F169 HydrophobicContact CB-CE2 3.97Å
145	A	98.1	Very high	95.9	Very high	13 Å²	13	46.2 Å²	46.2	11%	0.107	25%	0.249	C	C	.	.	H	α-helix	trans	-66.7	-32.3	177.1	0	0	0	0	0	113.3	M141 R143 F169 T187 Y188	M141-A145 VanDerWaalsContact O-CB 3.31Å; M141-A145 WeakPolarHBondContact O-CB 3.34Å; M141-A145 PolarHBondContact O-N 3.43Å; R143-A145 VanDerWaalsContact C-N 3.31Å; R143-A145 PolarHBondContact O-N 2.82Å; A145-F169 HydrophobicContact CB-CE2 4.45Å; A145-F169 HydrophobicContact CB-CZ 4.06Å; A145-T187 HydrophobicContact CB-CG2 4.2Å; A145-Y188 HydrophobicContact CB-CD1 3.64Å; A145-Y188 HydrophobicContact CB-CE1 3.83Å
146	N	96.8	Very high	95.2	Very high	129 Å²	129	44.3 Å²	44.3	69%	0.69	25%	0.248	S	C	*	.	H	α-helix	trans	-88.7	-4.5	-178.6	-77	-70.3	0	0	0	114.3	D142 R143 M144	D142-N146 PolarHBondContact O-N 2.86Å; D142-N146 PolarHBondContact O-ND2 3.49Å; R143-N146 PolarHBondContact O-N 3.38Å; M144-N146 VanDerWaalsContact C-N 3.33Å; M144-N146 PolarHBondContact O-N 2.97Å
147	Y	97.3	Very high	94.7	Very high	15 Å²	15	49.1 Å²	49.1	6%	0.059	27%	0.274	C	S	.	.	S	Bend	trans	-75.1	141.1	173.3	-63.8	-33.3	0	0	0	111.5	P98 P99 H102 F105 R143 M144 D149 K191	P98-Y147 HydrophobicContact CB-CE2 4.13Å; P98-Y147 WeakPolarHBondContact CB-OH 3.3Å; P99-Y147 PolarHBondContact O-OH 2.95Å; H102-Y147 HydrophobicContact CB-CD1 4.04Å; H102-Y147 AromaticContact CD2-CD1 3.88Å; H102-Y147 AromaticContact CD2-CG 3.71Å; F105-Y147 HydrophobicContact CB-CE1 4.46Å; F105-Y147 HydrophobicContact CB-CE2 3.99Å; F105-Y147 HydrophobicContact CD1-CD2 4Å; F105-Y147 AromaticContact CD1-CE2 3.95Å; F105-Y147 HydrophobicContact CD1-CE2 3.95Å; F105-Y147 HydrophobicContact CD2-CD2 4.12Å; F105-Y147 AromaticContact CD2-CE2 3.3Å; F105-Y147 HydrophobicContact CD2-CE2 3.3Å; F105-Y147 AromaticContact CD2-CZ 3.87Å; F105-Y147 HydrophobicContact CE1-CD2 4.15Å; F105-Y147 HydrophobicContact CE1-CE2 4.28Å; F105-Y147 HydrophobicContact CE2-CD2 4.22Å; F105-Y147 AromaticContact CE2-CE2 3.64Å; F105-Y147 HydrophobicContact CE2-CE2 3.64Å; F105-Y147 HydrophobicContact CG-CD2 4Å; F105-Y147 AromaticContact CG-CE2 3.47Å; F105-Y147 HydrophobicContact CG-CE2 3.47Å; F105-Y147 VanDerWaalsContact CG-CE2 3.47Å; F105-Y147 AromaticContact CG-CZ 3.9Å; F105-Y147 HydrophobicContact CZ-CD2 4.26Å; F105-Y147 HydrophobicContact CZ-CE2 4.13Å; R143-Y147 PolarHBondContact O-N 3.32Å; M144-Y147 HydrophobicContact CG-CD2 4.37Å; M144-Y147 HydrophobicContact CG-CE2 4.05Å; M144-Y147 PolarHBondContact O-N 3.5Å; Y147-D149 VanDerWaalsContact C-N 3.34Å; Y147-D149 PolarHBondContact O-N 3.34Å; Y147-K191 WeakPolarHBondContact O-CE 3.25Å; Y147-K191 PolarHBondContact O-NZ 2.96Å
148	P	94.7	Very high	94.4	Very high	99 Å²	99	50.8 Å²	50.8	64%	0.643	28%	0.283	S	S	*	.	S	Bend	trans	-52.6	-48.2	173.8	-26.8	34.2	0	0	0	113.2	K191	P148-K191 PolarHBondContact O-NZ 2.8Å
149	D	93.4	Very high	94.2	Very high	41 Å²	41	50.6 Å²	50.6	22%	0.219	28%	0.282	C	S	.	.			trans	-146.9	170.7	-179.2	68.4	77.6	0	0	0	111.6	H102 Y147 K151 E195	H102-D149 IonicContact CE1-OD1 3.32Å; H102-D149 PolarHBondContact CE1-OD1 3.36Å; H102-D149 VanDerWaalsContact CE1-OD1 3.32Å; H102-D149 IonicContact CE1-OD2 2.42Å; H102-D149 PolarHBondContact CE1-OD2 3Å; H102-D149 VanDerWaalsContact NE2-CG 3.32Å; H102-D149 PolarHBondContact NE2-N 3.2Å; H102-D149 PolarHBondContact NE2-O 3.07Å; H102-D149 IonicContact NE2-OD1 3.08Å; H102-D149 PolarHBondContact NE2-OD1 3.48Å; H102-D149 VanDerWaalsContact NE2-OD1 3.08Å; H102-D149 IonicContact NE2-OD2 3.65Å; Y147-D149 VanDerWaalsContact C-N 3.34Å; Y147-D149 PolarHBondContact O-N 3.34Å; D149-K151 HydrophobicContact CB-CG 4.43Å; D149-K151 VanDerWaalsContact OD1-CB 3.25Å; D149-K151 WeakPolarHBondContact OD1-CB 3.27Å; D149-K151 PolarHBondContact OD1-N 3.03Å; D149-E195 WeakPolarHBondContact CA-OE1 3.37Å
150	W	96.7	Very high	94.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.259	C	S	.	.			trans	-113.1	42.2	174.3	-58	-32.7	0	0	0	114.1	F105 M144 T162 S165 L166 F169 K191 E195	F105-W150 HydrophobicContact CE1-CB 4.35Å; M144-W150 HydrophobicContact CB-CZ2 4.22Å; M144-W150 HydrophobicContact CE-CD2 4.33Å; M144-W150 HydrophobicContact CE-CZ2 4.34Å; M144-W150 PolarHBondContact O-NE1 3.33Å; W150-T162 HydrophobicContact CB-CG2 4.32Å; W150-T162 WeakPolarHBondContact O-CA 3.31Å; W150-T162 PolarHBondContact O-N 3.24Å; W150-T162 PolarHBondContact O-OG1 3.07Å; W150-S165 VanDerWaalsContact CE3-CB 3.49Å; W150-L166 HydrophobicContact CE3-CB 4.47Å; W150-L166 HydrophobicContact CZ3-CB 4.08Å; W150-L166 HydrophobicContact CZ3-CD1 4.34Å; W150-F169 HydrophobicContact CH2-CB 3.79Å; W150-F169 AromaticContact CH2-CD1 3.83Å; W150-F169 HydrophobicContact CH2-CD1 3.83Å; W150-F169 HydrophobicContact CH2-CD2 4.18Å; W150-F169 HydrophobicContact CH2-CE1 4.44Å; W150-F169 AromaticContact CH2-CG 3.68Å; W150-F169 HydrophobicContact CH2-CG 3.68Å; W150-F169 HydrophobicContact CZ2-CB 4.38Å; W150-F169 HydrophobicContact CZ2-CD1 4.33Å; W150-F169 HydrophobicContact CZ2-CD2 4.01Å; W150-F169 HydrophobicContact CZ2-CE2 4.36Å; W150-F169 HydrophobicContact CZ2-CG 4Å; W150-F169 HydrophobicContact CZ3-CB 4.4Å; W150-K191 HydrophobicContact CH2-CG 3.74Å; W150-K191 HydrophobicContact CZ2-CD 4.21Å; W150-K191 HydrophobicContact CZ2-CG 3.48Å; W150-K191 VanDerWaalsContact CZ2-CG 3.48Å; W150-E195 HydrophobicContact CD2-CG 4.23Å; W150-E195 HydrophobicContact CE3-CB 4.15Å; W150-E195 HydrophobicContact CE3-CG 3.67Å; W150-E195 HydrophobicContact CH2-CG 4.29Å; W150-E195 HydrophobicContact CZ3-CB 3.96Å; W150-E195 HydrophobicContact CZ3-CG 3.69Å
151	K	94.4	Very high	94	Very high	80 Å²	80	45.3 Å²	45.3	35%	0.348	26%	0.259	S	S	.	.			trans	-92.5	178.5	-179.6	-61.2	174.4	-177.2	175.4	0	111.6	T106 N110 D149	T106-K151 WeakPolarHBondContact CG2-O 3.45Å; N110-K151 PolarHBondContact ND2-O 3.25Å; N110-K151 VanDerWaalsContact ND2-O 3.08Å; D149-K151 HydrophobicContact CB-CG 4.43Å; D149-K151 VanDerWaalsContact OD1-CB 3.25Å; D149-K151 WeakPolarHBondContact OD1-CB 3.27Å; D149-K151 PolarHBondContact OD1-N 3.03Å
152	V	94	Very high	94	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.006	26%	0.261	C	S	.	.			trans	-120	121.8	173.4	174.6	0	0	0	0	107.9	W109 N110 S154 A155 P161	W109-V152 HydrophobicContact CE3-CG2 4.48Å; N110-V152 WeakPolarHBondContact OD1-CG2 3.45Å; V152-S154 WeakPolarHBondContact CG1-OG 3.48Å; V152-S154 PolarHBondContact O-N 3.26Å; V152-A155 HydrophobicContact CB-CB 4.49Å; V152-A155 HydrophobicContact CG1-CB 4.45Å; V152-A155 CarbonylContact O-C 3.27Å; V152-A155 VanDerWaalsContact O-C 3.27Å; V152-A155 PolarHBondContact O-N 3.47Å; V152-P161 HydrophobicContact CB-CG 4.35Å; V152-P161 HydrophobicContact CG2-CB 3.62Å; V152-P161 HydrophobicContact CG2-CG 3.59Å
153	T	91.2	Very high	94	Very high	99 Å²	99	43.7 Å²	43.7	61%	0.607	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-27.1	-169	-55.7	0	0	0	0	113	T106 A155	T106-T153 VanDerWaalsContact CB-OG1 3.23Å; T106-T153 WeakPolarHBondContact CB-OG1 3.48Å; T106-T153 PolarHBondContact O-N 3.48Å; T106-T153 PolarHBondContact OG1-OG1 3.47Å; T153-A155 VanDerWaalsContact C-N 3.35Å
154	S	86.7	Confident	94	Very high	99 Å²	99	40.8 Å²	40.8	69%	0.692	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-6.1	174.4	53.1	0	0	0	0	114.6	V152	V152-S154 WeakPolarHBondContact CG1-OG 3.48Å; V152-S154 PolarHBondContact O-N 3.26Å
155	A	87.4	Confident	94	Very high	26 Å²	26	40.8 Å²	40.8	22%	0.215	24%	0.24	C	C	.	.			trans	-137.9	58	179	0	0	0	0	0	111.8	V152 T153 N157 D158	V152-A155 HydrophobicContact CB-CB 4.49Å; V152-A155 HydrophobicContact CG1-CB 4.45Å; V152-A155 CarbonylContact O-C 3.27Å; V152-A155 VanDerWaalsContact O-C 3.27Å; V152-A155 PolarHBondContact O-N 3.47Å; T153-A155 VanDerWaalsContact C-N 3.35Å; A155-N157 PolarHBondContact O-N 3.49Å; A155-D158 HydrophobicContact CB-CB 4.03Å; A155-D158 PolarHBondContact O-N 3.33Å
156	P	84.5	Confident	94	Very high	83 Å²	83	40.2 Å²	40.2	54%	0.539	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-6	-169.5	30.5	-38	0	0	0	115.2
157	N	87.3	Confident	94.1	Very high	118 Å²	118	35 Å²	35	63%	0.631	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.6	16.7	173.8	-69.6	-51.8	0	0	0	112.8	A155 R206	A155-N157 PolarHBondContact O-N 3.49Å; N157-R206 PolarHBondContact OD1-NH1 3.37Å; N157-R206 PolarHBondContact OD1-NH2 2.96Å
158	D	91.4	Very high	94.2	Very high	36 Å²	36	34.4 Å²	34.4	19%	0.193	21%	0.206	C	C	.	.			trans	-114.9	111.4	173	-166.4	-11.4	0	0	0	109.7	W109 A155 V160 P161 H216	W109-D158 WeakPolarHBondContact CH2-OD2 3.49Å; A155-D158 HydrophobicContact CB-CB 4.03Å; A155-D158 PolarHBondContact O-N 3.33Å; D158-V160 WeakPolarHBondContact OD1-CB 3.45Å; D158-V160 PolarHBondContact OD1-N 3.05Å; D158-V160 VanDerWaalsContact OD1-N 3.16Å; D158-P161 WeakPolarHBondContact O-CD 3.49Å; D158-H216 IonicContact OD1-CE1 3.06Å; D158-H216 PolarHBondContact OD1-CE1 3.34Å; D158-H216 VanDerWaalsContact OD1-CE1 3.27Å; D158-H216 IonicContact OD1-ND1 2.64Å; D158-H216 PolarHBondContact OD1-ND1 3.08Å; D158-H216 IonicContact OD2-CE1 3.1Å; D158-H216 PolarHBondContact OD2-CE1 3.23Å
159	E	95.9	Very high	94.4	Very high	6 Å²	6	29.7 Å²	29.7	3%	0.028	18%	0.176	C	C	.	.			trans	-85.7	-6.5	-177.3	-72.6	76.9	-141.2	0	0	114.1	P161 T162 A163 L199 L202 R206 W208	E159-P161 VanDerWaalsContact C-CD 3.46Å; E159-T162 WeakPolarHBondContact O-CB 3.47Å; E159-T162 PolarHBondContact O-N 2.69Å; E159-T162 VanDerWaalsContact O-N 3.09Å; E159-A163 PolarHBondContact O-N 3.46Å; E159-L199 HydrophobicContact CB-CD1 3.57Å; E159-L199 HydrophobicContact CG-CD1 3.88Å; E159-L202 HydrophobicContact CG-CB 4.46Å; E159-L202 HydrophobicContact CG-CD1 3.75Å; E159-R206 VanDerWaalsContact CD-NE 3.28Å; E159-R206 IonicContact OE1-CZ 3.47Å; E159-R206 IonicContact OE1-NE 2.69Å; E159-R206 PolarHBondContact OE1-NE 2.82Å; E159-R206 IonicContact OE1-NH2 2.7Å; E159-R206 PolarHBondContact OE1-NH2 3.21Å; E159-R206 WeakPolarHBondContact OE2-CD 3.24Å; E159-R206 WeakPolarHBondContact OE2-CG 3.43Å; E159-R206 IonicContact OE2-NE 3.46Å; E159-R206 PolarHBondContact OE2-NE 2.97Å; E159-W208 HydrophobicContact CB-CZ2 4.35Å; E159-W208 HydrophobicContact CG-CZ2 4.39Å; E159-W208 PolarHBondContact OE2-NE1 3.35Å
160	V	95.7	Very high	94.6	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	17%	0.165	C	C	.	.	H	α-helix	trans	-57.2	-39.9	-177.8	168.8	0	0	0	0	114.4	W109 D158 T162 A163 H164 H216 N220 Y274	W109-V160 HydrophobicContact CH2-CB 4.13Å; W109-V160 HydrophobicContact CH2-CG1 4.21Å; W109-V160 HydrophobicContact CZ2-CB 4.21Å; W109-V160 HydrophobicContact CZ2-CG1 3.79Å; D158-V160 WeakPolarHBondContact OD1-CB 3.45Å; D158-V160 PolarHBondContact OD1-N 3.05Å; D158-V160 VanDerWaalsContact OD1-N 3.16Å; V160-T162 VanDerWaalsContact C-N 3.29Å; V160-T162 PolarHBondContact O-N 2.95Å; V160-A163 PolarHBondContact O-N 3.16Å; V160-H164 WeakPolarHBondContact O-CB 3.42Å; V160-H164 PolarHBondContact O-N 3.4Å; V160-H216 HydrophobicContact CG2-CB 3.79Å; V160-H216 WeakPolarHBondContact CG2-ND1 3.31Å; V160-N220 WeakPolarHBondContact CG2-OD1 3.37Å; V160-Y274 WeakPolarHBondContact CG1-OH 3.49Å
161	P	96.4	Very high	94.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.6	-34.4	176.6	-19	31.7	0	0	0	112.8	W109 N110 V152 D158 E159 S165	W109-P161 HydrophobicContact CD2-CG 4.06Å; W109-P161 HydrophobicContact CE3-CG 3.73Å; W109-P161 HydrophobicContact CH2-CG 3.61Å; W109-P161 HydrophobicContact CZ2-CG 3.92Å; W109-P161 HydrophobicContact CZ3-CG 3.5Å; N110-P161 WeakPolarHBondContact OD1-CB 3.27Å; V152-P161 HydrophobicContact CB-CG 4.35Å; V152-P161 HydrophobicContact CG2-CB 3.62Å; V152-P161 HydrophobicContact CG2-CG 3.59Å; D158-P161 WeakPolarHBondContact O-CD 3.49Å; E159-P161 VanDerWaalsContact C-CD 3.46Å; P161-S165 WeakPolarHBondContact O-CB 3.46Å; P161-S165 PolarHBondContact O-N 3.25Å; P161-S165 PolarHBondContact O-OG 3.06Å
162	T	97.2	Very high	95	Very high	5 Å²	5	23.9 Å²	23.9	3%	0.031	15%	0.149	C	C	.	.	H	α-helix	trans	-70.6	-43.3	174.5	-52.3	0	0	0	0	110.8	W150 E159 V160 H164 S165 L166 E195	W150-T162 HydrophobicContact CB-CG2 4.32Å; W150-T162 WeakPolarHBondContact O-CA 3.31Å; W150-T162 PolarHBondContact O-N 3.24Å; W150-T162 PolarHBondContact O-OG1 3.07Å; E159-T162 WeakPolarHBondContact O-CB 3.47Å; E159-T162 PolarHBondContact O-N 2.69Å; E159-T162 VanDerWaalsContact O-N 3.09Å; V160-T162 VanDerWaalsContact C-N 3.29Å; V160-T162 PolarHBondContact O-N 2.95Å; T162-H164 VanDerWaalsContact C-N 3.35Å; T162-H164 PolarHBondContact O-N 3.16Å; T162-S165 PolarHBondContact O-N 3.04Å; T162-L166 WeakPolarHBondContact O-CB 3.49Å; T162-L166 PolarHBondContact O-N 2.89Å; T162-E195 WeakPolarHBondContact CG2-OE2 3.43Å
163	A	98.2	Very high	95.2	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.4	-39.9	174.8	0	0	0	0	0	112.7	E159 V160 T167 L199 T219 N220 A223	E159-A163 PolarHBondContact O-N 3.46Å; V160-A163 PolarHBondContact O-N 3.16Å; A163-T167 WeakPolarHBondContact O-CB 3.28Å; A163-T167 PolarHBondContact O-N 3.29Å; A163-T167 PolarHBondContact O-OG1 2.83Å; A163-L199 HydrophobicContact CB-CD2 4.04Å; A163-T219 HydrophobicContact CB-CG2 4.27Å; A163-N220 HydrophobicContact CB-CB 4.39Å; A163-N220 WeakPolarHBondContact CB-OD1 3.42Å; A163-A223 HydrophobicContact CB-CB 3.6Å; A163-A223 WeakPolarHBondContact O-CB 3.19Å
164	H	98.4	Very high	95.5	Very high	6 Å²	6	19.3 Å²	19.3	3%	0.028	12%	0.12	C	C	.	.	H	α-helix	trans	-63.8	-44.4	172.2	-94.9	-104.8	0	0	0	112.3	E111 G114 N115 V160 T162 G168 Y274 K277 Y330	E111-H164 HydrophobicContact CB-CB 4.14Å; G114-H164 WeakPolarHBondContact CA-O 3.28Å; N115-H164 PolarHBondContact OD1-CE1 3.02Å; N115-H164 PolarHBondContact OD1-ND1 3.39Å; V160-H164 WeakPolarHBondContact O-CB 3.42Å; V160-H164 PolarHBondContact O-N 3.4Å; T162-H164 VanDerWaalsContact C-N 3.35Å; T162-H164 PolarHBondContact O-N 3.16Å; H164-G168 PolarHBondContact O-N 3.12Å; H164-Y274 AromaticContact NE2-CE2 3.54Å; H164-Y274 AromaticContact NE2-CZ 3.78Å; H164-Y274 PolarHBondContact NE2-OH 2.79Å; H164-K277 PolarHBondContact CE1-NZ 2.98Å; H164-K277 PolarHBondContact NE2-NZ 3.29Å; H164-Y330 AromaticContact CE1-CE1 3.85Å; H164-Y330 AromaticContact CE1-CZ 3.58Å; H164-Y330 PolarHBondContact CE1-OH 3.06Å
165	S	98.6	Very high	96.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62.5	-46.2	176.6	-61.5	0	0	0	0	111.9	W150 P161 T162 G168 F169	W150-S165 VanDerWaalsContact CE3-CB 3.49Å; P161-S165 WeakPolarHBondContact O-CB 3.46Å; P161-S165 PolarHBondContact O-N 3.25Å; P161-S165 PolarHBondContact O-OG 3.06Å; T162-S165 PolarHBondContact O-N 3.04Å; S165-G168 PolarHBondContact O-N 3.03Å; S165-F169 WeakPolarHBondContact O-CB 3.35Å; S165-F169 PolarHBondContact O-N 3.12Å
166	L	98.8	Very high	96.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-63	-49.7	177.8	177	59	0	0	0	112.5	W150 T162 G168 F169 A170 I192 E195 L199 A223	W150-L166 HydrophobicContact CE3-CB 4.47Å; W150-L166 HydrophobicContact CZ3-CB 4.08Å; W150-L166 HydrophobicContact CZ3-CD1 4.34Å; T162-L166 WeakPolarHBondContact O-CB 3.49Å; T162-L166 PolarHBondContact O-N 2.89Å; L166-G168 VanDerWaalsContact C-N 3.3Å; L166-G168 PolarHBondContact O-N 3.43Å; L166-F169 PolarHBondContact O-N 2.96Å; L166-A170 WeakPolarHBondContact O-CB 3.49Å; L166-A170 PolarHBondContact O-N 3.25Å; L166-I192 HydrophobicContact CD1-CG2 4.05Å; L166-E195 HydrophobicContact CD1-CB 4.25Å; L166-L199 HydrophobicContact CD2-CD2 4.13Å; L166-A223 HydrophobicContact CB-CB 4.48Å; L166-A223 HydrophobicContact CD2-CB 4.18Å; L166-A223 WeakPolarHBondContact CD2-O 3.37Å; L166-A223 HydrophobicContact CG-CB 4.47Å
167	T	98.6	Very high	97.1	Very high	20 Å²	20	10.9 Å²	10.9	12%	0.123	6%	0.057	C	C	.	.	H	α-helix	trans	-59.1	-44.5	178	-51.8	0	0	0	0	110.9	A163 T171 A223	A163-T167 WeakPolarHBondContact O-CB 3.28Å; A163-T167 PolarHBondContact O-N 3.29Å; A163-T167 PolarHBondContact O-OG1 2.83Å; T167-T171 VanDerWaalsContact O-CB 3.29Å; T167-T171 WeakPolarHBondContact O-CB 3.37Å; T167-T171 PolarHBondContact O-N 3.09Å; T167-T171 VanDerWaalsContact O-N 3.15Å; T167-T171 PolarHBondContact O-OG1 2.91Å; T167-A223 WeakPolarHBondContact OG1-CA 3.39Å; T167-A223 VanDerWaalsContact OG1-CB 3.31Å; T167-A223 WeakPolarHBondContact OG1-CB 3.38Å
168	G	98.6	Very high	97.4	Very high	2 Å²	2	7.7 Å²	7.7	2%	0.021	4%	0.044	C	C	.	.	H	α-helix	trans	-65.4	-47.5	179.2	0	0	0	0	0	113.6	G114 H164 S165 L166 A172	G114-G168 VanDerWaalsContact O-CA 3.29Å; G114-G168 WeakPolarHBondContact O-CA 3.39Å; H164-G168 PolarHBondContact O-N 3.12Å; S165-G168 PolarHBondContact O-N 3.03Å; L166-G168 VanDerWaalsContact C-N 3.3Å; L166-G168 PolarHBondContact O-N 3.43Å; G168-A172 WeakPolarHBondContact O-CB 3.05Å; G168-A172 PolarHBondContact O-N 3.47Å
169	F	98.9	Very high	97.5	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-72.2	-41	-176.3	-169.5	-83.8	0	0	0	112.5	L117 M141 M144 A145 W150 S165 L166 A172 Y173 Y188 I192	L117-F169 HydrophobicContact CD1-CB 4.2Å; L117-F169 HydrophobicContact CD1-CD2 4.1Å; M141-F169 HydrophobicContact CB-CE2 3.8Å; M141-F169 HydrophobicContact CB-CZ 4.4Å; M141-F169 HydrophobicContact CE-CD1 4.16Å; M141-F169 HydrophobicContact CE-CD2 3.92Å; M141-F169 HydrophobicContact CE-CE1 4.02Å; M141-F169 HydrophobicContact CE-CE2 3.77Å; M141-F169 HydrophobicContact CE-CG 4.11Å; M141-F169 HydrophobicContact CE-CZ 3.81Å; M141-F169 HydrophobicContact CG-CD2 4.34Å; M141-F169 HydrophobicContact CG-CE2 4.09Å; M144-F169 HydrophobicContact CB-CD2 4Å; M144-F169 HydrophobicContact CB-CE2 3.97Å; A145-F169 HydrophobicContact CB-CE2 4.45Å; A145-F169 HydrophobicContact CB-CZ 4.06Å; W150-F169 HydrophobicContact CH2-CB 3.79Å; W150-F169 AromaticContact CH2-CD1 3.83Å; W150-F169 HydrophobicContact CH2-CD1 3.83Å; W150-F169 HydrophobicContact CH2-CD2 4.18Å; W150-F169 HydrophobicContact CH2-CE1 4.44Å; W150-F169 AromaticContact CH2-CG 3.68Å; W150-F169 HydrophobicContact CH2-CG 3.68Å; W150-F169 HydrophobicContact CZ2-CB 4.38Å; W150-F169 HydrophobicContact CZ2-CD1 4.33Å; W150-F169 HydrophobicContact CZ2-CD2 4.01Å; W150-F169 HydrophobicContact CZ2-CE2 4.36Å; W150-F169 HydrophobicContact CZ2-CG 4Å; W150-F169 HydrophobicContact CZ3-CB 4.4Å; S165-F169 WeakPolarHBondContact O-CB 3.35Å; S165-F169 PolarHBondContact O-N 3.12Å; L166-F169 PolarHBondContact O-N 2.96Å; F169-A172 PolarHBondContact O-N 3.41Å; F169-Y173 WeakPolarHBondContact O-CB 3.24Å; F169-Y173 PolarHBondContact O-N 3.43Å; F169-Y188 HydrophobicContact CE1-CG 4.08Å; F169-Y188 AromaticContact CZ-CD1 3.88Å; F169-Y188 HydrophobicContact CZ-CD1 3.88Å; F169-Y188 HydrophobicContact CZ-CD2 4.14Å; F169-Y188 AromaticContact CZ-CG 3.68Å; F169-Y188 HydrophobicContact CZ-CG 3.68Å; F169-I192 HydrophobicContact CD1-CD1 4Å; F169-I192 HydrophobicContact CD1-CG1 3.67Å; F169-I192 HydrophobicContact CE1-CD1 4.17Å; F169-I192 HydrophobicContact CE1-CG1 3.96Å
170	A	98.8	Very high	97.6	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-66	-39.4	175	0	0	0	0	0	112.1	L166 Y173 D174 I192 T226 V230	L166-A170 WeakPolarHBondContact O-CB 3.49Å; L166-A170 PolarHBondContact O-N 3.25Å; A170-Y173 PolarHBondContact O-N 3.29Å; A170-D174 PolarHBondContact O-N 3.19Å; A170-D174 VanDerWaalsContact O-N 3.08Å; A170-I192 HydrophobicContact CB-CD1 4.27Å; A170-I192 HydrophobicContact CB-CG1 4.36Å; A170-I192 HydrophobicContact CB-CG2 4.15Å; A170-T226 HydrophobicContact CB-CG2 4.14Å; A170-V230 HydrophobicContact CB-CG2 4.19Å
171	T	98.8	Very high	97.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-66.5	-40.8	174.5	-55.9	0	0	0	0	111.8	Y58 P118 T167 F175	Y58-T171 HydrophobicContact CD2-CG2 4.33Å; Y58-T171 HydrophobicContact CE2-CG2 4Å; P118-T171 HydrophobicContact CB-CG2 3.95Å; P118-T171 HydrophobicContact CG-CG2 4.2Å; T167-T171 VanDerWaalsContact O-CB 3.29Å; T167-T171 WeakPolarHBondContact O-CB 3.37Å; T167-T171 PolarHBondContact O-N 3.09Å; T167-T171 VanDerWaalsContact O-N 3.15Å; T167-T171 PolarHBondContact O-OG1 2.91Å; T171-F175 HydrophobicContact CG2-CD1 4.49Å; T171-F175 HydrophobicContact CG2-CD2 4.24Å; T171-F175 HydrophobicContact CG2-CE1 4.05Å; T171-F175 HydrophobicContact CG2-CE2 3.75Å; T171-F175 HydrophobicContact CG2-CZ 3.65Å; T171-F175 WeakPolarHBondContact O-CG 3.33Å; T171-F175 PolarHBondContact O-N 3.13Å; T171-F175 VanDerWaalsContact O-N 3.12Å
172	A	98.8	Very high	97.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.1	-43.7	174.8	0	0	0	0	0	112.2	L117 A121 M141 G168 F169 D174 F175 I176	L117-A172 HydrophobicContact CB-CB 4.12Å; L117-A172 HydrophobicContact CD2-CB 4.23Å; A121-A172 HydrophobicContact CB-CB 3.69Å; M141-A172 HydrophobicContact CE-CB 3.95Å; M141-A172 HydrophobicContact SD-CB 3.82Å; G168-A172 WeakPolarHBondContact O-CB 3.05Å; G168-A172 PolarHBondContact O-N 3.47Å; F169-A172 PolarHBondContact O-N 3.41Å; A172-D174 PolarHBondContact O-N 3.33Å; A172-F175 PolarHBondContact O-N 2.9Å; A172-I176 WeakPolarHBondContact O-CG1 3.25Å; A172-I176 PolarHBondContact O-N 3.37Å
173	Y	98.7	Very high	97.5	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.008	13%	0.126	C	C	.	.	H	α-helix	trans	-55.1	-50.8	175.4	178.6	-89.3	0	0	0	112	F169 A170 F175 I176 Y177 L180 R185 Y188 L189 I192 V230 H234	F169-Y173 WeakPolarHBondContact O-CB 3.24Å; F169-Y173 PolarHBondContact O-N 3.43Å; A170-Y173 PolarHBondContact O-N 3.29Å; Y173-F175 VanDerWaalsContact C-N 3.34Å; Y173-F175 PolarHBondContact O-N 3.31Å; Y173-I176 PolarHBondContact O-N 3.47Å; Y173-Y177 HydrophobicContact CD1-CD2 4.46Å; Y173-Y177 AromaticContact CE1-CD2 3.72Å; Y173-Y177 HydrophobicContact CE1-CD2 3.72Å; Y173-Y177 HydrophobicContact CE1-CE2 4.17Å; Y173-Y177 HydrophobicContact CE2-CD2 4.38Å; Y173-Y177 AromaticContact CZ-CD2 3.69Å; Y173-Y177 AromaticContact CZ-CE2 3.88Å; Y173-Y177 WeakPolarHBondContact O-CA 3.27Å; Y173-Y177 WeakPolarHBondContact O-CB 3.5Å; Y173-Y177 PolarHBondContact O-N 2.83Å; Y173-Y177 WeakPolarHBondContact OH-CE2 3.47Å; Y173-L180 HydrophobicContact CD2-CD1 3.95Å; Y173-L180 HydrophobicContact CE2-CD1 4.07Å; Y173-R185 WeakPolarHBondContact CE2-O 3.28Å; Y173-R185 PolarHBondContact OH-O 2.83Å; Y173-Y188 HydrophobicContact CD2-CD2 4.13Å; Y173-Y188 HydrophobicContact CD2-CG 4.38Å; Y173-L189 HydrophobicContact CE1-CD1 4.45Å; Y173-L189 HydrophobicContact CE2-CB 4.31Å; Y173-I192 HydrophobicContact CD1-CD1 4.09Å; Y173-I192 HydrophobicContact CD2-CD1 4.03Å; Y173-I192 HydrophobicContact CG-CD1 3.69Å; Y173-V230 HydrophobicContact CD1-CG1 3.5Å; Y173-V230 VanDerWaalsContact CD1-CG1 3.5Å; Y173-V230 HydrophobicContact CE1-CG1 3.74Å; Y173-H234 AromaticContact CE1-NE2 3.59Å; Y173-H234 AromaticContact CZ-NE2 3.89Å; Y173-H234 PolarHBondContact OH-NE2 2.92Å
174	D	98.6	Very high	97.4	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-59.4	-43.2	177.9	-174.6	68.4	0	0	0	111.9	H54 P55 N56 L57 A170 A172 V230	H54-D174 IonicContact CE1-OD1 3.23Å; H54-D174 IonicContact CG-OD1 2.72Å; H54-D174 IonicContact ND1-OD1 2.82Å; H54-D174 PolarHBondContact ND1-OD1 3.27Å; P55-D174 WeakPolarHBondContact CA-O 3.27Å; P55-D174 WeakPolarHBondContact CG-O 3.3Å; N56-D174 VanDerWaalsContact N-CG 3.31Å; N56-D174 PolarHBondContact N-OD1 2.99Å; N56-D174 PolarHBondContact N-OD2 3.29Å; L57-D174 HydrophobicContact CB-CB 4.45Å; L57-D174 WeakPolarHBondContact CB-OD2 3.45Å; L57-D174 HydrophobicContact CD1-CB 3.75Å; L57-D174 HydrophobicContact CG-CB 4.07Å; L57-D174 PolarHBondContact N-OD1 3.25Å; L57-D174 PolarHBondContact N-OD2 2.85Å; A170-D174 PolarHBondContact O-N 3.19Å; A170-D174 VanDerWaalsContact O-N 3.08Å; A172-D174 PolarHBondContact O-N 3.33Å; D174-V230 HydrophobicContact CB-CG2 4.46Å
175	F	98.4	Very high	97.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-70.5	-33.8	-178.4	-71.7	1.7	0	0	0	114	P55 Y58 F59 A121 L122 L125 T171 A172 Y173 I382	P55-F175 HydrophobicContact CB-CD1 4.48Å; Y58-F175 AromaticContact CD2-CE1 3.94Å; Y58-F175 HydrophobicContact CD2-CE1 3.94Å; Y58-F175 AromaticContact CD2-CZ 3.87Å; Y58-F175 HydrophobicContact CD2-CZ 3.87Å; F59-F175 HydrophobicContact CE1-CD1 4.25Å; F59-F175 AromaticContact CE1-CE1 3.56Å; F59-F175 HydrophobicContact CE1-CE1 3.56Å; F59-F175 AromaticContact CE1-CZ 3.73Å; F59-F175 HydrophobicContact CE1-CZ 3.73Å; F59-F175 HydrophobicContact CE2-CD1 4.46Å; F59-F175 HydrophobicContact CE2-CE1 4.48Å; F59-F175 AromaticContact CZ-CD1 3.72Å; F59-F175 HydrophobicContact CZ-CD1 3.72Å; F59-F175 AromaticContact CZ-CE1 3.52Å; F59-F175 HydrophobicContact CZ-CE1 3.52Å; F59-F175 HydrophobicContact CZ-CG 4.32Å; F59-F175 AromaticContact CZ-CZ 3.97Å; F59-F175 HydrophobicContact CZ-CZ 3.97Å; A121-F175 HydrophobicContact CB-CB 4.11Å; A121-F175 HydrophobicContact CB-CD2 4.27Å; L122-F175 HydrophobicContact CB-CD2 4.03Å; L122-F175 HydrophobicContact CB-CE2 4.04Å; L122-F175 HydrophobicContact CD1-CE2 4.34Å; L125-F175 WeakPolarHBondContact CD1-O 3.28Å; L125-F175 HydrophobicContact CD2-CB 4.25Å; T171-F175 HydrophobicContact CG2-CD1 4.49Å; T171-F175 HydrophobicContact CG2-CD2 4.24Å; T171-F175 HydrophobicContact CG2-CE1 4.05Å; T171-F175 HydrophobicContact CG2-CE2 3.75Å; T171-F175 HydrophobicContact CG2-CZ 3.65Å; T171-F175 WeakPolarHBondContact O-CG 3.33Å; T171-F175 PolarHBondContact O-N 3.13Å; T171-F175 VanDerWaalsContact O-N 3.12Å; A172-F175 PolarHBondContact O-N 2.9Å; Y173-F175 VanDerWaalsContact C-N 3.34Å; Y173-F175 PolarHBondContact O-N 3.31Å; F175-I382 HydrophobicContact CZ-CD1 3.88Å
176	I	96.8	Very high	97.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-110.9	8.2	-177.2	67.4	147.1	0	0	0	115.3	A121 C124 L137 L138 M141 A172 Y173 S178 F179 L180	A121-I176 HydrophobicContact CB-CG2 4.15Å; C124-I176 HydrophobicContact CB-CG2 4.42Å; L137-I176 HydrophobicContact CD2-CD1 3.84Å; L137-I176 HydrophobicContact CD2-CG1 4.35Å; L137-I176 HydrophobicContact CD2-CG2 3.81Å; L137-I176 HydrophobicContact CG-CD1 4.1Å; L138-I176 HydrophobicContact CD2-CD1 4.14Å; M141-I176 HydrophobicContact SD-CD1 4Å; M141-I176 HydrophobicContact SD-CG1 4.42Å; A172-I176 WeakPolarHBondContact O-CG1 3.25Å; A172-I176 PolarHBondContact O-N 3.37Å; Y173-I176 PolarHBondContact O-N 3.47Å; I176-S178 PolarHBondContact O-N 3.47Å; I176-F179 HydrophobicContact CB-CD2 3.87Å; I176-F179 HydrophobicContact CG2-CD2 3.98Å; I176-F179 HydrophobicContact CG2-CE2 4.35Å; I176-F179 PolarHBondContact O-N 2.97Å; I176-L180 HydrophobicContact CD1-CD2 3.7Å; I176-L180 HydrophobicContact CD1-CG 4.34Å; I176-L180 HydrophobicContact CG1-CD2 4.37Å; I176-L180 PolarHBondContact O-N 3.19Å
177	Y	96.8	Very high	97.2	Very high	31 Å²	31	36 Å²	36	12%	0.122	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-46	-43.1	-178.2	-177.6	-96.4	0	0	0	113.9	H54 Y173 F179 L180 R185 H234	H54-Y177 HydrophobicContact CB-CD1 3.84Å; H54-Y177 HydrophobicContact CB-CG 3.77Å; H54-Y177 AromaticContact CD2-CD1 3.7Å; H54-Y177 AromaticContact CD2-CD2 3.71Å; H54-Y177 AromaticContact CD2-CE1 3.92Å; H54-Y177 AromaticContact CD2-CE2 3.92Å; H54-Y177 AromaticContact CD2-CG 3.6Å; H54-Y177 AromaticContact CG-CG 3.81Å; Y173-Y177 HydrophobicContact CD1-CD2 4.46Å; Y173-Y177 AromaticContact CE1-CD2 3.72Å; Y173-Y177 HydrophobicContact CE1-CD2 3.72Å; Y173-Y177 HydrophobicContact CE1-CE2 4.17Å; Y173-Y177 HydrophobicContact CE2-CD2 4.38Å; Y173-Y177 AromaticContact CZ-CD2 3.69Å; Y173-Y177 AromaticContact CZ-CE2 3.88Å; Y173-Y177 WeakPolarHBondContact O-CA 3.27Å; Y173-Y177 WeakPolarHBondContact O-CB 3.5Å; Y173-Y177 PolarHBondContact O-N 2.83Å; Y173-Y177 WeakPolarHBondContact OH-CE2 3.47Å; Y177-F179 VanDerWaalsContact C-N 3.26Å; Y177-F179 PolarHBondContact O-N 3.4Å; Y177-L180 PolarHBondContact O-N 3.49Å; Y177-R185 HydrophobicContact CD2-CG 4.06Å; Y177-R185 HydrophobicContact CE2-CB 4.17Å; Y177-R185 HydrophobicContact CE2-CG 3.69Å; Y177-R185 PolarHBondContact O-NE 3.39Å; Y177-R185 PolarHBondContact O-NH2 2.97Å; Y177-H234 AromaticContact CE2-CE1 3.61Å; Y177-H234 AromaticContact CZ-CE1 3.91Å
178	S	93.3	Very high	97.2	Very high	51 Å²	51	35.2 Å²	35.2	36%	0.357	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-66.5	-22	-179.7	53.2	0	0	0	0	114.1	I176 R185	I176-S178 PolarHBondContact O-N 3.47Å; S178-R185 PolarHBondContact O-NH2 2.89Å
179	F	94.4	Very high	97.2	Very high	67 Å²	67	36.7 Å²	36.7	29%	0.294	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-93.1	-10.2	174.8	-48.2	-49	0	0	0	113.8	L125 P128 L134 I176 Y177	L125-F179 HydrophobicContact CD1-CE2 4.09Å; L125-F179 HydrophobicContact CD1-CZ 4.13Å; P128-F179 HydrophobicContact CB-CE1 4.37Å; P128-F179 HydrophobicContact CB-CZ 4.16Å; L134-F179 HydrophobicContact CD1-CB 4.32Å; L134-F179 HydrophobicContact CD1-CD2 4.34Å; L134-F179 HydrophobicContact CD2-CB 4.43Å; I176-F179 HydrophobicContact CB-CD2 3.87Å; I176-F179 HydrophobicContact CG2-CD2 3.98Å; I176-F179 HydrophobicContact CG2-CE2 4.35Å; I176-F179 PolarHBondContact O-N 2.97Å; Y177-F179 VanDerWaalsContact C-N 3.26Å; Y177-F179 PolarHBondContact O-N 3.4Å
180	L	96.6	Very high	97.2	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.037	21%	0.209	C	C	.	.	S	Bend	trans	-78.4	142.2	178.2	-62	-178.6	0	0	0	112	L138 Y173 I176 Y177 R184 R185 Y188	L138-L180 HydrophobicContact CD2-CD2 3.54Å; Y173-L180 HydrophobicContact CD2-CD1 3.95Å; Y173-L180 HydrophobicContact CE2-CD1 4.07Å; I176-L180 HydrophobicContact CD1-CD2 3.7Å; I176-L180 HydrophobicContact CD1-CG 4.34Å; I176-L180 HydrophobicContact CG1-CD2 4.37Å; I176-L180 PolarHBondContact O-N 3.19Å; Y177-L180 PolarHBondContact O-N 3.49Å; L180-R184 HydrophobicContact CB-CB 4.32Å; L180-R184 HydrophobicContact CD2-CB 4.2Å; L180-R185 HydrophobicContact CB-CG 3.63Å; L180-R185 HydrophobicContact CD1-CG 4.17Å; L180-R185 PolarHBondContact O-NE 3.1Å; L180-R185 VanDerWaalsContact O-NE 3.16Å; L180-R185 PolarHBondContact O-NH2 2.97Å; L180-Y188 HydrophobicContact CD1-CD2 3.78Å; L180-Y188 HydrophobicContact CD1-CE2 4.13Å; L180-Y188 HydrophobicContact CD2-CD2 4.25Å; L180-Y188 HydrophobicContact CD2-CE2 3.73Å
181	D	95.8	Very high	97.1	Very high	63 Å²	63	43.5 Å²	43.5	34%	0.337	21%	0.211	S	C	.	.			trans	-71.1	162.6	162.2	61.2	85.1	0	0	0	112	N183 R184 R185	D181-N183 VanDerWaalsContact C-N 3.35Å; D181-N183 PolarHBondContact O-N 2.91Å; D181-N183 WeakPolarHBondContact OD1-CB 3.5Å; D181-N183 PolarHBondContact OD1-N 2.9Å; D181-R184 PolarHBondContact O-N 2.65Å; D181-R184 PolarHBondContact OD1-N 2.88Å; D181-R184 VanDerWaalsContact OD2-CD 3.25Å; D181-R184 WeakPolarHBondContact OD2-CD 3.39Å; D181-R184 WeakPolarHBondContact OD2-CG 3.38Å; D181-R184 IonicContact OD2-CZ 3.67Å; D181-R184 IonicContact OD2-NE 2.83Å; D181-R184 IonicContact OD2-NH1 3.36Å; D181-R184 PolarHBondContact OD2-NH1 2.97Å; D181-R185 WeakPolarHBondContact O-CG 3.23Å; D181-R185 PolarHBondContact O-N 3.41Å
182	E	94.4	Very high	97.1	Very high	150 Å²	150	43.5 Å²	43.5	70%	0.701	21%	0.211	S	C	*	.	H	α-helix	trans	-58.8	-42.1	-176.4	-173.4	169.6	-152.7	0	0	112.8	R185 D186	E182-R185 PolarHBondContact O-N 3.29Å; E182-D186 PolarHBondContact O-N 3.06Å
183	N	96.9	Very high	97.1	Very high	114 Å²	114	45.8 Å²	45.8	61%	0.61	22%	0.222	S	C	*	.	H	α-helix	trans	-63.9	-44.6	177.9	175.4	83.4	0	0	0	111.5	D181 D186 T187	D181-N183 VanDerWaalsContact C-N 3.35Å; D181-N183 PolarHBondContact O-N 2.91Å; D181-N183 WeakPolarHBondContact OD1-CB 3.5Å; D181-N183 PolarHBondContact OD1-N 2.9Å; N183-D186 PolarHBondContact O-N 3.37Å; N183-T187 WeakPolarHBondContact O-CB 3.08Å; N183-T187 PolarHBondContact O-N 3.35Å; N183-T187 PolarHBondContact O-OG1 2.88Å
184	R	97.7	Very high	97.1	Very high	59 Å²	59	48 Å²	48	22%	0.223	24%	0.238	C	C	.	.	H	α-helix	trans	-63.5	-41.6	173.7	-77.9	-172.4	175	100.8	-5.6	112.8	D142 L180 D181 D186 T187 Y188	D142-R184 IonicContact OD1-CZ 3.24Å; D142-R184 IonicContact OD1-NE 2.96Å; D142-R184 PolarHBondContact OD1-NE 3.02Å; D142-R184 IonicContact OD1-NH2 2.64Å; D142-R184 IonicContact OD2-CZ 3.42Å; D142-R184 IonicContact OD2-NE 3.61Å; D142-R184 PolarHBondContact OD2-NE 3.06Å; D142-R184 IonicContact OD2-NH2 3.26Å; D142-R184 PolarHBondContact OD2-NH2 2.84Å; L180-R184 HydrophobicContact CB-CB 4.32Å; L180-R184 HydrophobicContact CD2-CB 4.2Å; D181-R184 PolarHBondContact O-N 2.65Å; D181-R184 PolarHBondContact OD1-N 2.88Å; D181-R184 VanDerWaalsContact OD2-CD 3.25Å; D181-R184 WeakPolarHBondContact OD2-CD 3.39Å; D181-R184 WeakPolarHBondContact OD2-CG 3.38Å; D181-R184 IonicContact OD2-CZ 3.67Å; D181-R184 IonicContact OD2-NE 2.83Å; D181-R184 IonicContact OD2-NH1 3.36Å; D181-R184 PolarHBondContact OD2-NH1 2.97Å; R184-D186 VanDerWaalsContact C-N 3.3Å; R184-D186 PolarHBondContact O-N 3.1Å; R184-T187 PolarHBondContact O-N 3.29Å; R184-Y188 HydrophobicContact CB-CE1 4.32Å; R184-Y188 HydrophobicContact CB-CE2 4.3Å; R184-Y188 WeakPolarHBondContact CD-OH 3.5Å; R184-Y188 HydrophobicContact CG-CE1 4.18Å; R184-Y188 PolarHBondContact NE-OH 3.06Å; R184-Y188 WeakPolarHBondContact O-CB 3.36Å; R184-Y188 WeakPolarHBondContact O-CD1 3.36Å; R184-Y188 PolarHBondContact O-N 3.47Å
185	R	97.1	Very high	97	Very high	70 Å²	70	48.5 Å²	48.5	26%	0.264	24%	0.24	S	C	.	.	H	α-helix	trans	-55.6	-48.3	175.7	-73.4	173.3	179.2	162.2	10.9	110.7	Y173 Y177 S178 L180 D181 E182 L189	Y173-R185 WeakPolarHBondContact CE2-O 3.28Å; Y173-R185 PolarHBondContact OH-O 2.83Å; Y177-R185 HydrophobicContact CD2-CG 4.06Å; Y177-R185 HydrophobicContact CE2-CB 4.17Å; Y177-R185 HydrophobicContact CE2-CG 3.69Å; Y177-R185 PolarHBondContact O-NE 3.39Å; Y177-R185 PolarHBondContact O-NH2 2.97Å; S178-R185 PolarHBondContact O-NH2 2.89Å; L180-R185 HydrophobicContact CB-CG 3.63Å; L180-R185 HydrophobicContact CD1-CG 4.17Å; L180-R185 PolarHBondContact O-NE 3.1Å; L180-R185 VanDerWaalsContact O-NE 3.16Å; L180-R185 PolarHBondContact O-NH2 2.97Å; D181-R185 WeakPolarHBondContact O-CG 3.23Å; D181-R185 PolarHBondContact O-N 3.41Å; E182-R185 PolarHBondContact O-N 3.29Å; R185-L189 WeakPolarHBondContact O-CB 3.44Å; R185-L189 PolarHBondContact O-N 3.03Å; R185-L189 VanDerWaalsContact O-N 3.07Å
186	D	96.2	Very high	97	Very high	75 Å²	75	48.5 Å²	48.5	40%	0.401	24%	0.24	S	C	.	.	H	α-helix	trans	-65.5	-50.1	178.6	-107.3	43	0	0	0	112.9	E182 N183 R184 L189 K190	E182-D186 PolarHBondContact O-N 3.06Å; N183-D186 PolarHBondContact O-N 3.37Å; R184-D186 VanDerWaalsContact C-N 3.3Å; R184-D186 PolarHBondContact O-N 3.1Å; D186-L189 PolarHBondContact O-N 3.25Å; D186-K190 WeakPolarHBondContact O-CB 3.28Å; D186-K190 VanDerWaalsContact O-CD 3.31Å; D186-K190 WeakPolarHBondContact O-CD 3.25Å; D186-K190 VanDerWaalsContact O-CG 3.24Å; D186-K190 WeakPolarHBondContact O-CG 3.42Å; D186-K190 PolarHBondContact O-N 2.9Å; D186-K190 IonicContact OD2-NZ 2.7Å; D186-K190 PolarHBondContact OD2-NZ 3.44Å
187	T	98.1	Very high	97.1	Very high	45 Å²	45	52.1 Å²	52.1	28%	0.276	26%	0.257	S	S	.	.	H	α-helix	trans	-63.8	-45.2	-177.8	-60.5	0	0	0	0	111.7	A145 N183 R184 K191	A145-T187 HydrophobicContact CB-CG2 4.2Å; N183-T187 WeakPolarHBondContact O-CB 3.08Å; N183-T187 PolarHBondContact O-N 3.35Å; N183-T187 PolarHBondContact O-OG1 2.88Å; R184-T187 PolarHBondContact O-N 3.29Å; T187-K191 PolarHBondContact O-N 3.11Å
188	Y	98.5	Very high	97.1	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.008	27%	0.267	C	S	.	.	H	α-helix	trans	-68.5	-39.2	-179.9	-65.8	3.9	0	0	0	110.8	L138 M141 D142 A145 F169 Y173 L180 R184 K191 I192	L138-Y188 PolarHBondContact O-OH 2.94Å; M141-Y188 HydrophobicContact CB-CD2 4.4Å; M141-Y188 HydrophobicContact CB-CE1 4.29Å; M141-Y188 HydrophobicContact CB-CE2 3.59Å; M141-Y188 WeakPolarHBondContact CB-OH 3.4Å; M141-Y188 HydrophobicContact CE-CD2 3.67Å; M141-Y188 HydrophobicContact CE-CE2 3.85Å; M141-Y188 HydrophobicContact CG-CE2 4.41Å; M141-Y188 HydrophobicContact SD-CD2 4.45Å; M141-Y188 HydrophobicContact SD-CE2 4.04Å; D142-Y188 PolarHBondContact N-OH 3.2Å; D142-Y188 PolarHBondContact OD1-OH 3.02Å; A145-Y188 HydrophobicContact CB-CD1 3.64Å; A145-Y188 HydrophobicContact CB-CE1 3.83Å; F169-Y188 HydrophobicContact CE1-CG 4.08Å; F169-Y188 AromaticContact CZ-CD1 3.88Å; F169-Y188 HydrophobicContact CZ-CD1 3.88Å; F169-Y188 HydrophobicContact CZ-CD2 4.14Å; F169-Y188 AromaticContact CZ-CG 3.68Å; F169-Y188 HydrophobicContact CZ-CG 3.68Å; Y173-Y188 HydrophobicContact CD2-CD2 4.13Å; Y173-Y188 HydrophobicContact CD2-CG 4.38Å; L180-Y188 HydrophobicContact CD1-CD2 3.78Å; L180-Y188 HydrophobicContact CD1-CE2 4.13Å; L180-Y188 HydrophobicContact CD2-CD2 4.25Å; L180-Y188 HydrophobicContact CD2-CE2 3.73Å; R184-Y188 HydrophobicContact CB-CE1 4.32Å; R184-Y188 HydrophobicContact CB-CE2 4.3Å; R184-Y188 WeakPolarHBondContact CD-OH 3.5Å; R184-Y188 HydrophobicContact CG-CE1 4.18Å; R184-Y188 PolarHBondContact NE-OH 3.06Å; R184-Y188 WeakPolarHBondContact O-CB 3.36Å; R184-Y188 WeakPolarHBondContact O-CD1 3.36Å; R184-Y188 PolarHBondContact O-N 3.47Å; Y188-K191 PolarHBondContact O-N 3.1Å; Y188-I192 VanDerWaalsContact O-CG1 3.31Å; Y188-I192 WeakPolarHBondContact O-CG1 3.33Å; Y188-I192 PolarHBondContact O-N 3.31Å
189	L	97.9	Very high	97.3	Very high	34 Å²	34	50.2 Å²	50.2	18%	0.178	25%	0.25	C	S	.	.	H	α-helix	trans	-62.5	-44.9	176.7	-175.9	61.4	0	0	0	112.4	Y173 R185 D186 K191 I192 H193 V231 H234	Y173-L189 HydrophobicContact CE1-CD1 4.45Å; Y173-L189 HydrophobicContact CE2-CB 4.31Å; R185-L189 WeakPolarHBondContact O-CB 3.44Å; R185-L189 PolarHBondContact O-N 3.03Å; R185-L189 VanDerWaalsContact O-N 3.07Å; D186-L189 PolarHBondContact O-N 3.25Å; L189-K191 VanDerWaalsContact C-N 3.3Å; L189-K191 PolarHBondContact O-N 3.48Å; L189-I192 PolarHBondContact O-N 3.39Å; L189-H193 PolarHBondContact O-N 2.84Å; L189-V231 HydrophobicContact CD1-CB 4.31Å; L189-V231 HydrophobicContact CD1-CG1 3.86Å; L189-H234 WeakPolarHBondContact CD1-CD2 3.35Å; L189-H234 HydrophobicContact CD2-CB 4.01Å
190	K	97.8	Very high	97.4	Very high	129 Å²	129	48.2 Å²	48.2	56%	0.561	24%	0.241	S	C	*	.	H	α-helix	trans	-58.7	-40.9	175.6	-74	159.7	-177.9	153.3	0	111.7	D186 H193 S194	D186-K190 WeakPolarHBondContact O-CB 3.28Å; D186-K190 VanDerWaalsContact O-CD 3.31Å; D186-K190 WeakPolarHBondContact O-CD 3.25Å; D186-K190 VanDerWaalsContact O-CG 3.24Å; D186-K190 WeakPolarHBondContact O-CG 3.42Å; D186-K190 PolarHBondContact O-N 2.9Å; D186-K190 IonicContact OD2-NZ 2.7Å; D186-K190 PolarHBondContact OD2-NZ 3.44Å; K190-H193 PolarHBondContact O-N 3.19Å; K190-S194 PolarHBondContact O-N 3.48Å; K190-S194 PolarHBondContact O-OG 2.87Å
191	K	98.4	Very high	97.5	Very high	13 Å²	13	51.7 Å²	51.7	6%	0.057	26%	0.257	C	S	.	.	H	α-helix	trans	-67.4	-40.2	176	-172.4	60	165.1	170.8	0	112.7	Y147 P148 W150 T187 Y188 L189 S194 E195	Y147-K191 WeakPolarHBondContact O-CE 3.25Å; Y147-K191 PolarHBondContact O-NZ 2.96Å; P148-K191 PolarHBondContact O-NZ 2.8Å; W150-K191 HydrophobicContact CH2-CG 3.74Å; W150-K191 HydrophobicContact CZ2-CD 4.21Å; W150-K191 HydrophobicContact CZ2-CG 3.48Å; W150-K191 VanDerWaalsContact CZ2-CG 3.48Å; T187-K191 PolarHBondContact O-N 3.11Å; Y188-K191 PolarHBondContact O-N 3.1Å; L189-K191 VanDerWaalsContact C-N 3.3Å; L189-K191 PolarHBondContact O-N 3.48Å; K191-S194 PolarHBondContact O-N 3.46Å; K191-S194 PolarHBondContact O-OG 2.99Å; K191-S194 VanDerWaalsContact O-OG 3.08Å; K191-E195 HydrophobicContact CD-CG 4.02Å; K191-E195 VanDerWaalsContact CE-OE1 3.32Å; K191-E195 WeakPolarHBondContact CE-OE1 3.36Å; K191-E195 HydrophobicContact CG-CG 4.45Å; K191-E195 IonicContact NZ-OE1 2.79Å; K191-E195 PolarHBondContact NZ-OE1 2.83Å; K191-E195 WeakPolarHBondContact O-CB 3.27Å; K191-E195 VanDerWaalsContact O-CG 3.31Å; K191-E195 WeakPolarHBondContact O-CG 3.46Å; K191-E195 PolarHBondContact O-N 2.77Å; K191-E195 VanDerWaalsContact O-N 3.14Å
192	I	98.6	Very high	97.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-44.6	174.6	-65.2	161.9	0	0	0	110.1	L166 F169 A170 Y173 Y188 L189 T196 V230 V231	L166-I192 HydrophobicContact CD1-CG2 4.05Å; F169-I192 HydrophobicContact CD1-CD1 4Å; F169-I192 HydrophobicContact CD1-CG1 3.67Å; F169-I192 HydrophobicContact CE1-CD1 4.17Å; F169-I192 HydrophobicContact CE1-CG1 3.96Å; A170-I192 HydrophobicContact CB-CD1 4.27Å; A170-I192 HydrophobicContact CB-CG1 4.36Å; A170-I192 HydrophobicContact CB-CG2 4.15Å; Y173-I192 HydrophobicContact CD1-CD1 4.09Å; Y173-I192 HydrophobicContact CD2-CD1 4.03Å; Y173-I192 HydrophobicContact CG-CD1 3.69Å; Y188-I192 VanDerWaalsContact O-CG1 3.31Å; Y188-I192 WeakPolarHBondContact O-CG1 3.33Å; Y188-I192 PolarHBondContact O-N 3.31Å; L189-I192 PolarHBondContact O-N 3.39Å; I192-T196 VanDerWaalsContact O-CB 3.29Å; I192-T196 WeakPolarHBondContact O-CB 3.32Å; I192-T196 PolarHBondContact O-N 3.04Å; I192-T196 PolarHBondContact O-OG1 2.99Å; I192-V230 HydrophobicContact CD1-CG1 4.17Å; I192-V231 HydrophobicContact CB-CG1 4.29Å; I192-V231 HydrophobicContact CG2-CG1 3.78Å
193	H	98.3	Very high	97.5	Very high	49 Å²	49	42.8 Å²	42.8	23%	0.227	21%	0.214	C	C	.	.	H	α-helix	trans	-57.1	-58.3	174.7	-178.7	-60.8	0	0	0	111.4	L189 K190 E195 T196 E197 V231 D236 W242	L189-H193 PolarHBondContact O-N 2.84Å; K190-H193 PolarHBondContact O-N 3.19Å; H193-E195 VanDerWaalsContact C-N 3.28Å; H193-E195 PolarHBondContact O-N 3.03Å; H193-T196 WeakPolarHBondContact O-CB 3.42Å; H193-T196 PolarHBondContact O-N 3.13Å; H193-E197 IonicContact CE1-OE2 3.37Å; H193-E197 PolarHBondContact CE1-OE2 3.44Å; H193-E197 IonicContact ND1-OE2 3.44Å; H193-E197 PolarHBondContact ND1-OE2 3.33Å; H193-E197 VanDerWaalsContact ND1-OE2 3.17Å; H193-E197 WeakPolarHBondContact O-CB 3.14Å; H193-E197 PolarHBondContact O-N 2.99Å; H193-V231 HydrophobicContact CB-CG1 4.18Å; H193-D236 IonicContact CD2-OD2 3.68Å; H193-D236 PolarHBondContact CD2-OD2 2.93Å; H193-D236 VanDerWaalsContact CD2-OD2 3.26Å; H193-D236 IonicContact NE2-OD2 3.48Å; H193-D236 PolarHBondContact NE2-OD2 2.84Å; H193-W242 AromaticContact CD2-CH2 3.99Å; H193-W242 AromaticContact CE1-CH2 3.74Å; H193-W242 AromaticContact ND1-CH2 3.93Å; H193-W242 AromaticContact NE2-CH2 3.79Å
194	S	97.8	Very high	97.4	Very high	49 Å²	49	42.2 Å²	42.2	34%	0.343	21%	0.206	S	C	.	.	H	α-helix	trans	-59.9	-35.8	-173.8	58.7	0	0	0	0	113.7	K190 K191 A198	K190-S194 PolarHBondContact O-N 3.48Å; K190-S194 PolarHBondContact O-OG 2.87Å; K191-S194 PolarHBondContact O-N 3.46Å; K191-S194 PolarHBondContact O-OG 2.99Å; K191-S194 VanDerWaalsContact O-OG 3.08Å; S194-A198 VanDerWaalsContact O-CB 3.23Å; S194-A198 WeakPolarHBondContact O-CB 3.36Å; S194-A198 PolarHBondContact O-N 2.64Å
195	E	98.1	Very high	97.1	Very high	10 Å²	10	45.7 Å²	45.7	5%	0.047	22%	0.223	C	C	.	.	H	α-helix	trans	-79.3	-29.9	178.4	-63.3	-75.6	174	0	0	111.8	D149 W150 T162 L166 K191 H193 L199	D149-E195 WeakPolarHBondContact CA-OE1 3.37Å; W150-E195 HydrophobicContact CD2-CG 4.23Å; W150-E195 HydrophobicContact CE3-CB 4.15Å; W150-E195 HydrophobicContact CE3-CG 3.67Å; W150-E195 HydrophobicContact CH2-CG 4.29Å; W150-E195 HydrophobicContact CZ3-CB 3.96Å; W150-E195 HydrophobicContact CZ3-CG 3.69Å; T162-E195 WeakPolarHBondContact CG2-OE2 3.43Å; L166-E195 HydrophobicContact CD1-CB 4.25Å; K191-E195 HydrophobicContact CD-CG 4.02Å; K191-E195 VanDerWaalsContact CE-OE1 3.32Å; K191-E195 WeakPolarHBondContact CE-OE1 3.36Å; K191-E195 HydrophobicContact CG-CG 4.45Å; K191-E195 IonicContact NZ-OE1 2.79Å; K191-E195 PolarHBondContact NZ-OE1 2.83Å; K191-E195 WeakPolarHBondContact O-CB 3.27Å; K191-E195 VanDerWaalsContact O-CG 3.31Å; K191-E195 WeakPolarHBondContact O-CG 3.46Å; K191-E195 PolarHBondContact O-N 2.77Å; K191-E195 VanDerWaalsContact O-N 3.14Å; H193-E195 VanDerWaalsContact C-N 3.28Å; H193-E195 PolarHBondContact O-N 3.03Å; E195-L199 WeakPolarHBondContact O-CB 3.47Å; E195-L199 PolarHBondContact O-N 3.19Å; E195-L199 VanDerWaalsContact O-N 3.12Å
196	T	98.6	Very high	97	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-68.4	-48	172.5	-56.3	0	0	0	0	111	I192 H193 L199 Y200 I224 G227 A228 W242	I192-T196 VanDerWaalsContact O-CB 3.29Å; I192-T196 WeakPolarHBondContact O-CB 3.32Å; I192-T196 PolarHBondContact O-N 3.04Å; I192-T196 PolarHBondContact O-OG1 2.99Å; H193-T196 WeakPolarHBondContact O-CB 3.42Å; H193-T196 PolarHBondContact O-N 3.13Å; T196-L199 PolarHBondContact O-N 3.42Å; T196-Y200 VanDerWaalsContact O-CB 3.29Å; T196-Y200 WeakPolarHBondContact O-CB 3.46Å; T196-Y200 PolarHBondContact O-N 3Å; T196-I224 HydrophobicContact CG2-CG2 4.09Å; T196-I224 WeakPolarHBondContact CG2-O 3.46Å; T196-G227 WeakPolarHBondContact OG1-CA 3.39Å; T196-A228 HydrophobicContact CG2-CB 4.37Å; T196-W242 HydrophobicContact CG2-CD2 4.02Å; T196-W242 HydrophobicContact CG2-CE3 3.39Å; T196-W242 HydrophobicContact CG2-CZ3 3.81Å
197	E	98.2	Very high	96.7	Very high	77 Å²	77	43.8 Å²	43.8	36%	0.36	22%	0.223	S	C	.	.	H	α-helix	trans	-57.9	-52.8	176.3	-177.6	-169.2	164.1	0	0	110.9	H193 L199 Y200 E201 W242	H193-E197 IonicContact CE1-OE2 3.37Å; H193-E197 PolarHBondContact CE1-OE2 3.44Å; H193-E197 IonicContact ND1-OE2 3.44Å; H193-E197 PolarHBondContact ND1-OE2 3.33Å; H193-E197 VanDerWaalsContact ND1-OE2 3.17Å; H193-E197 WeakPolarHBondContact O-CB 3.14Å; H193-E197 PolarHBondContact O-N 2.99Å; E197-L199 VanDerWaalsContact C-N 3.34Å; E197-L199 PolarHBondContact O-N 2.92Å; E197-Y200 PolarHBondContact O-N 3.35Å; E197-E201 PolarHBondContact O-N 3.35Å; E197-W242 HydrophobicContact CB-CH2 3.98Å; E197-W242 HydrophobicContact CB-CZ2 3.79Å; E197-W242 HydrophobicContact CG-CZ2 4.1Å
198	A	96.9	Very high	96.5	Very high	39 Å²	39	42.3 Å²	42.3	32%	0.322	21%	0.212	S	C	.	.	H	α-helix	trans	-60	-42	179.1	0	0	0	0	0	112.5	S194 E201 L202	S194-A198 VanDerWaalsContact O-CB 3.23Å; S194-A198 WeakPolarHBondContact O-CB 3.36Å; S194-A198 PolarHBondContact O-N 2.64Å; A198-E201 PolarHBondContact O-N 2.91Å; A198-L202 WeakPolarHBondContact O-CB 3.48Å; A198-L202 VanDerWaalsContact O-CD1 3.28Å; A198-L202 WeakPolarHBondContact O-CD1 3.25Å; A198-L202 VanDerWaalsContact O-CG 3.27Å; A198-L202 WeakPolarHBondContact O-CG 3.38Å; A198-L202 PolarHBondContact O-N 3.08Å
199	L	96.9	Very high	96.1	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.016	21%	0.212	C	C	.	.	H	α-helix	trans	-69.8	-35.6	178.5	-170.5	58.9	0	0	0	112.1	E159 A163 L166 E195 T196 E197 L202 S203 W208 N220 A223 I224	E159-L199 HydrophobicContact CB-CD1 3.57Å; E159-L199 HydrophobicContact CG-CD1 3.88Å; A163-L199 HydrophobicContact CB-CD2 4.04Å; L166-L199 HydrophobicContact CD2-CD2 4.13Å; E195-L199 WeakPolarHBondContact O-CB 3.47Å; E195-L199 PolarHBondContact O-N 3.19Å; E195-L199 VanDerWaalsContact O-N 3.12Å; T196-L199 PolarHBondContact O-N 3.42Å; E197-L199 VanDerWaalsContact C-N 3.34Å; E197-L199 PolarHBondContact O-N 2.92Å; L199-L202 PolarHBondContact O-N 3.37Å; L199-S203 PolarHBondContact O-N 2.84Å; L199-W208 HydrophobicContact CD1-CH2 3.85Å; L199-W208 HydrophobicContact CD1-CZ2 3.72Å; L199-W208 HydrophobicContact CG-CH2 4.23Å; L199-W208 WeakPolarHBondContact O-CH2 3.25Å; L199-N220 HydrophobicContact CD1-CB 4.43Å; L199-A223 HydrophobicContact CD2-CB 3.86Å; L199-I224 HydrophobicContact CB-CG1 3.98Å; L199-I224 HydrophobicContact CD2-CG1 3.82Å; L199-I224 HydrophobicContact CG-CD1 4.02Å; L199-I224 HydrophobicContact CG-CG1 3.66Å
200	Y	97.6	Very high	95.8	Very high	25 Å²	25	46.3 Å²	46.3	10%	0.098	23%	0.228	C	C	.	.	H	α-helix	trans	-65.9	-43.2	172.6	166.7	-105	0	0	0	112.8	T196 E197 L202 S203 W242 V245	T196-Y200 VanDerWaalsContact O-CB 3.29Å; T196-Y200 WeakPolarHBondContact O-CB 3.46Å; T196-Y200 PolarHBondContact O-N 3Å; E197-Y200 PolarHBondContact O-N 3.35Å; Y200-L202 VanDerWaalsContact C-N 3.35Å; Y200-L202 PolarHBondContact O-N 3.2Å; Y200-S203 WeakPolarHBondContact O-CB 3.39Å; Y200-S203 PolarHBondContact O-N 2.71Å; Y200-S203 PolarHBondContact O-OG 3.19Å; Y200-W242 AromaticContact CD1-CD1 3.33Å; Y200-W242 HydrophobicContact CD1-CG 4.48Å; Y200-W242 AromaticContact CD1-NE1 3.26Å; Y200-W242 VanDerWaalsContact CD1-NE1 3.26Å; Y200-W242 AromaticContact CD2-CD1 3.66Å; Y200-W242 HydrophobicContact CD2-CG 4.44Å; Y200-W242 AromaticContact CE1-CD1 3.59Å; Y200-W242 AromaticContact CE1-NE1 3.59Å; Y200-W242 AromaticContact CE2-CD1 3.91Å; Y200-W242 AromaticContact CG-CD1 3.35Å; Y200-W242 HydrophobicContact CG-CG 4.22Å; Y200-W242 AromaticContact CG-NE1 3.71Å; Y200-W242 AromaticContact CZ-CD1 3.87Å; Y200-V245 HydrophobicContact CE2-CB 4.07Å; Y200-V245 HydrophobicContact CE2-CG1 4.1Å; Y200-V245 HydrophobicContact CE2-CG2 4.07Å
201	E	97.1	Very high	95.7	Very high	80 Å²	80	41.3 Å²	41.3	37%	0.374	21%	0.207	S	C	.	.	H	α-helix	trans	-63.5	-42.5	174.8	-70	-53.2	128.4	0	0	111.5	E197 A198 S203 K204 F205	E197-E201 PolarHBondContact O-N 3.35Å; A198-E201 PolarHBondContact O-N 2.91Å; E201-S203 VanDerWaalsContact C-N 3.27Å; E201-S203 PolarHBondContact O-N 3.38Å; E201-K204 WeakPolarHBondContact O-CB 3.33Å; E201-K204 PolarHBondContact O-N 3.27Å; E201-K204 WeakPolarHBondContact OE1-CE 3.27Å; E201-K204 IonicContact OE1-NZ 2.73Å; E201-K204 PolarHBondContact OE1-NZ 3.38Å; E201-K204 WeakPolarHBondContact OE2-CE 3.44Å; E201-K204 IonicContact OE2-NZ 2.73Å; E201-K204 PolarHBondContact OE2-NZ 3.07Å; E201-F205 WeakPolarHBondContact O-CD1 3.33Å; E201-F205 WeakPolarHBondContact O-CE1 3.5Å
202	L	95.6	Very high	95.6	Very high	22 Å²	22	41.4 Å²	41.4	12%	0.115	21%	0.207	C	C	.	.	H	α-helix	trans	-59	-36.1	174.6	-76	158.9	0	0	0	112.3	E159 A198 L199 Y200 K204 F205 R206 W208	E159-L202 HydrophobicContact CG-CB 4.46Å; E159-L202 HydrophobicContact CG-CD1 3.75Å; A198-L202 WeakPolarHBondContact O-CB 3.48Å; A198-L202 VanDerWaalsContact O-CD1 3.28Å; A198-L202 WeakPolarHBondContact O-CD1 3.25Å; A198-L202 VanDerWaalsContact O-CG 3.27Å; A198-L202 WeakPolarHBondContact O-CG 3.38Å; A198-L202 PolarHBondContact O-N 3.08Å; L199-L202 PolarHBondContact O-N 3.37Å; Y200-L202 VanDerWaalsContact C-N 3.35Å; Y200-L202 PolarHBondContact O-N 3.2Å; L202-K204 PolarHBondContact O-N 3.21Å; L202-K204 VanDerWaalsContact O-N 3.07Å; L202-F205 HydrophobicContact CD2-CE2 3.81Å; L202-F205 HydrophobicContact CD2-CZ 3.57Å; L202-F205 HydrophobicContact CG-CZ 4.27Å; L202-F205 PolarHBondContact O-N 3.47Å; L202-R206 HydrophobicContact CB-CG 4.17Å; L202-R206 HydrophobicContact CD2-CG 4.28Å; L202-R206 WeakPolarHBondContact O-CB 3.47Å; L202-R206 WeakPolarHBondContact O-CG 3.43Å; L202-R206 PolarHBondContact O-N 3.16Å; L202-W208 HydrophobicContact CB-CZ2 4.27Å
203	S	95.4	Very high	95.5	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-60.1	-22.5	-180	92.7	0	0	0	0	113.6	L199 Y200 E201 F205 W208 G209	L199-S203 PolarHBondContact O-N 2.84Å; Y200-S203 WeakPolarHBondContact O-CB 3.39Å; Y200-S203 PolarHBondContact O-N 2.71Å; Y200-S203 PolarHBondContact O-OG 3.19Å; E201-S203 VanDerWaalsContact C-N 3.27Å; E201-S203 PolarHBondContact O-N 3.38Å; S203-F205 VanDerWaalsContact C-N 3.32Å; S203-F205 PolarHBondContact O-N 3.04Å; S203-W208 VanDerWaalsContact CB-CZ3 3.45Å; S203-G209 WeakPolarHBondContact O-CA 3.47Å
204	K	93.9	Very high	95.3	Very high	102 Å²	102	40 Å²	40	44%	0.443	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-23.5	-177.5	-58.3	176.4	-171.3	172.4	0	113.2	E201 L202	E201-K204 WeakPolarHBondContact O-CB 3.33Å; E201-K204 PolarHBondContact O-N 3.27Å; E201-K204 WeakPolarHBondContact OE1-CE 3.27Å; E201-K204 IonicContact OE1-NZ 2.73Å; E201-K204 PolarHBondContact OE1-NZ 3.38Å; E201-K204 WeakPolarHBondContact OE2-CE 3.44Å; E201-K204 IonicContact OE2-NZ 2.73Å; E201-K204 PolarHBondContact OE2-NZ 3.07Å; L202-K204 PolarHBondContact O-N 3.21Å; L202-K204 VanDerWaalsContact O-N 3.07Å
205	F	93	Very high	95.2	Very high	133 Å²	133	37.7 Å²	37.7	58%	0.583	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-131.5	-10.3	-174.7	58.9	-91.8	0	0	0	115.3	E201 L202 S203	E201-F205 WeakPolarHBondContact O-CD1 3.33Å; E201-F205 WeakPolarHBondContact O-CE1 3.5Å; L202-F205 HydrophobicContact CD2-CE2 3.81Å; L202-F205 HydrophobicContact CD2-CZ 3.57Å; L202-F205 HydrophobicContact CG-CZ 4.27Å; L202-F205 PolarHBondContact O-N 3.47Å; S203-F205 VanDerWaalsContact C-N 3.32Å; S203-F205 PolarHBondContact O-N 3.04Å
206	R	93.1	Very high	95.1	Very high	49 Å²	49	39.1 Å²	39.1	19%	0.185	19%	0.191	C	C	.	.	S	Bend	trans	-76.2	152.8	172.9	-69.5	-66.8	-162.3	-133.4	3.9	112.8	N157 E159 L202 W208 G209	N157-R206 PolarHBondContact OD1-NH1 3.37Å; N157-R206 PolarHBondContact OD1-NH2 2.96Å; E159-R206 VanDerWaalsContact CD-NE 3.28Å; E159-R206 IonicContact OE1-CZ 3.47Å; E159-R206 IonicContact OE1-NE 2.69Å; E159-R206 PolarHBondContact OE1-NE 2.82Å; E159-R206 IonicContact OE1-NH2 2.7Å; E159-R206 PolarHBondContact OE1-NH2 3.21Å; E159-R206 WeakPolarHBondContact OE2-CD 3.24Å; E159-R206 WeakPolarHBondContact OE2-CG 3.43Å; E159-R206 IonicContact OE2-NE 3.46Å; E159-R206 PolarHBondContact OE2-NE 2.97Å; L202-R206 HydrophobicContact CB-CG 4.17Å; L202-R206 HydrophobicContact CD2-CG 4.28Å; L202-R206 WeakPolarHBondContact O-CB 3.47Å; L202-R206 WeakPolarHBondContact O-CG 3.43Å; L202-R206 PolarHBondContact O-N 3.16Å; R206-W208 HydrophobicContact CB-CD2 4.22Å; R206-W208 HydrophobicContact CB-CG 4.2Å; R206-W208 HydrophobicContact CB-CZ2 4.3Å; R206-W208 HydrophobicContact CG-CZ2 4.4Å; R206-W208 PolarHBondContact O-N 3.33Å; R206-G209 PolarHBondContact O-N 3.08Å
207	A	90.6	Very high	95	Very high	56 Å²	56	39.1 Å²	39.1	46%	0.463	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-63.4	-37.8	-179.9	0	0	0	0	0	112.9	G209 K210 Q211	A207-G209 PolarHBondContact O-N 3.13Å; A207-G209 VanDerWaalsContact O-N 3.15Å; A207-K210 PolarHBondContact O-N 3.01Å; A207-Q211 WeakPolarHBondContact O-CB 3.47Å; A207-Q211 WeakPolarHBondContact O-CG 3.23Å; A207-Q211 PolarHBondContact O-N 3.04Å
208	W	93.5	Very high	95	Very high	13 Å²	13	35.4 Å²	35.4	5%	0.049	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-64.7	-14.8	173.8	62.4	-105.4	0	0	0	113.5	E159 L199 L202 S203 R206 K210 H216 Q217 N220 I221 I224	E159-W208 HydrophobicContact CB-CZ2 4.35Å; E159-W208 HydrophobicContact CG-CZ2 4.39Å; E159-W208 PolarHBondContact OE2-NE1 3.35Å; L199-W208 HydrophobicContact CD1-CH2 3.85Å; L199-W208 HydrophobicContact CD1-CZ2 3.72Å; L199-W208 HydrophobicContact CG-CH2 4.23Å; L199-W208 WeakPolarHBondContact O-CH2 3.25Å; L202-W208 HydrophobicContact CB-CZ2 4.27Å; S203-W208 VanDerWaalsContact CB-CZ3 3.45Å; R206-W208 HydrophobicContact CB-CD2 4.22Å; R206-W208 HydrophobicContact CB-CG 4.2Å; R206-W208 HydrophobicContact CB-CZ2 4.3Å; R206-W208 HydrophobicContact CG-CZ2 4.4Å; R206-W208 PolarHBondContact O-N 3.33Å; W208-K210 PolarHBondContact O-N 2.9Å; W208-H216 HydrophobicContact CB-CB 3.98Å; W208-Q217 HydrophobicContact CB-CB 4.45Å; W208-Q217 WeakPolarHBondContact O-CB 3.13Å; W208-Q217 WeakPolarHBondContact O-CG 3.14Å; W208-N220 HydrophobicContact CD2-CB 3.92Å; W208-N220 VanDerWaalsContact CE2-ND2 3.29Å; W208-N220 HydrophobicContact CE3-CB 3.62Å; W208-N220 HydrophobicContact CH2-CB 3.8Å; W208-N220 HydrophobicContact CZ2-CB 4.09Å; W208-N220 HydrophobicContact CZ3-CB 3.56Å; W208-N220 PolarHBondContact NE1-ND2 3.49Å; W208-I221 HydrophobicContact CE3-CD1 4.48Å; W208-I221 HydrophobicContact CZ3-CD1 3.92Å; W208-I221 HydrophobicContact CZ3-CG1 4.27Å; W208-I224 HydrophobicContact CH2-CD1 4.21Å; W208-I224 HydrophobicContact CZ3-CD1 4.39Å
209	G	90.9	Very high	95.1	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.01	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-78.5	3.3	168.2	0	0	0	0	0	114.2	S203 R206 A207 Y249	S203-G209 WeakPolarHBondContact O-CA 3.47Å; R206-G209 PolarHBondContact O-N 3.08Å; A207-G209 PolarHBondContact O-N 3.13Å; A207-G209 VanDerWaalsContact O-N 3.15Å; G209-Y249 WeakPolarHBondContact O-CE1 3.35Å; G209-Y249 VanDerWaalsContact O-CZ 3.3Å; G209-Y249 PolarHBondContact O-OH 2.82Å
210	K	91.3	Very high	95.1	Very high	120 Å²	120	33.5 Å²	33.5	52%	0.522	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.3	-28.8	-179.3	-60.1	-178	-176.4	177.4	0	113.2	A207 W208 Y212 S454	A207-K210 PolarHBondContact O-N 3.01Å; W208-K210 PolarHBondContact O-N 2.9Å; K210-Y212 VanDerWaalsContact O-CD2 3.29Å; K210-Y212 WeakPolarHBondContact O-CD2 3.49Å; K210-Y212 WeakPolarHBondContact O-CE2 3.36Å; K210-Y212 PolarHBondContact O-N 2.7Å; K210-S454 WeakPolarHBondContact O-CA 3.49Å
211	Q	95.1	Very high	95.2	Very high	23 Å²	23	32.3 Å²	32.3	11%	0.107	15%	0.154	C	C	.	.			trans	-82.4	96	-179.5	-67.1	175.3	-32.9	0	0	110.7	A207 Q217 S454 F455 N456	A207-Q211 WeakPolarHBondContact O-CB 3.47Å; A207-Q211 WeakPolarHBondContact O-CG 3.23Å; A207-Q211 PolarHBondContact O-N 3.04Å; Q211-Q217 WeakPolarHBondContact O-CB 3.3Å; Q211-Q217 VanDerWaalsContact O-CG 3.29Å; Q211-Q217 WeakPolarHBondContact O-CG 3.21Å; Q211-S454 CarbonylContact C-O 3.54Å; Q211-S454 WeakPolarHBondContact CA-O 3.45Å; Q211-F455 PolarHBondContact NE2-O 3.38Å; Q211-N456 HydrophobicContact CB-CB 4.22Å; Q211-N456 HydrophobicContact CG-CB 4.19Å; Q211-N456 PolarHBondContact OE1-ND2 3.46Å
212	Y	96.7	Very high	95.2	Very high	15 Å²	15	28.7 Å²	28.7	6%	0.059	14%	0.137	C	C	.	.			trans	-70.9	164.8	179.1	-56.8	-85.1	0	0	0	111.9	K210 Q214 Y249 K252 L256 W448 S454	K210-Y212 VanDerWaalsContact O-CD2 3.29Å; K210-Y212 WeakPolarHBondContact O-CD2 3.49Å; K210-Y212 WeakPolarHBondContact O-CE2 3.36Å; K210-Y212 PolarHBondContact O-N 2.7Å; Y212-Q214 PolarHBondContact O-N 3.48Å; Y212-Y249 AromaticContact CE1-CD1 3.94Å; Y212-Y249 HydrophobicContact CE1-CD1 3.94Å; Y212-Y249 HydrophobicContact CE1-CE1 4.38Å; Y212-K252 HydrophobicContact CD1-CB 4.06Å; Y212-K252 HydrophobicContact CE1-CB 3.65Å; Y212-K252 HydrophobicContact CE1-CD 3.75Å; Y212-K252 HydrophobicContact CE1-CG 4.36Å; Y212-L256 VanDerWaalsContact CB-CD1 3.48Å; Y212-L256 HydrophobicContact CD1-CD1 4.23Å; Y212-L256 HydrophobicContact CD2-CD1 4.02Å; Y212-L256 HydrophobicContact CG-CD1 3.66Å; Y212-W448 HydrophobicContact CD1-CZ3 4.46Å; Y212-W448 HydrophobicContact CD2-CZ3 4.16Å; Y212-W448 HydrophobicContact CE1-CZ3 4.02Å; Y212-W448 AromaticContact CE2-CE3 3.95Å; Y212-W448 HydrophobicContact CE2-CE3 3.95Å; Y212-W448 AromaticContact CE2-CZ3 3.7Å; Y212-W448 HydrophobicContact CE2-CZ3 3.7Å; Y212-W448 AromaticContact CZ-CE3 3.84Å; Y212-W448 AromaticContact CZ-CZ3 3.63Å; Y212-S454 PolarHBondContact N-O 2.86Å
213	L	95.9	Very high	95.4	Very high	7 Å²	7	27.6 Å²	27.6	4%	0.037	13%	0.131	C	C	.	.	S	Bend	trans	67.7	-31.4	179.7	-52.8	174.2	0	0	0	115.4	T253 L256 L257 I260 T275 V437 F455	L213-T253 HydrophobicContact CD2-CG2 4.14Å; L213-L256 HydrophobicContact CD1-CB 4.49Å; L213-L256 HydrophobicContact CD2-CB 3.89Å; L213-L256 HydrophobicContact CG-CB 4.34Å; L213-L257 HydrophobicContact CD2-CD2 3.63Å; L213-L257 HydrophobicContact CD2-CG 3.66Å; L213-I260 HydrophobicContact CD1-CD1 4.24Å; L213-T275 VanDerWaalsContact O-CG2 3.26Å; L213-T275 WeakPolarHBondContact O-CG2 3.49Å; L213-V437 HydrophobicContact CD1-CG2 3.52Å; L213-F455 HydrophobicContact CD1-CD1 4.21Å; L213-F455 HydrophobicContact CD1-CE1 3.89Å; L213-F455 HydrophobicContact CG-CE1 4.35Å
214	Q	95.2	Very high	95.6	Very high	13 Å²	13	27.5 Å²	27.5	6%	0.061	13%	0.13	C	C	.	.	S	Bend	trans	-65.2	150.1	-175	-175.6	-96.3	-2.5	0	0	113.8	Y212 H216 Q217 T218 E267 N456	Y212-Q214 PolarHBondContact O-N 3.48Å; Q214-H216 VanDerWaalsContact CD-N 3.32Å; Q214-H216 PolarHBondContact NE2-CD2 3.02Å; Q214-H216 PolarHBondContact O-N 3.5Å; Q214-H216 VanDerWaalsContact OE1-CB 3.28Å; Q214-Q217 WeakPolarHBondContact O-CB 3.43Å; Q214-Q217 PolarHBondContact O-N 2.95Å; Q214-Q217 VanDerWaalsContact OE1-N 3.11Å; Q214-T218 PolarHBondContact O-N 3.01Å; Q214-T218 PolarHBondContact O-OG1 3.37Å; Q214-E267 WeakPolarHBondContact CG-OE1 3.41Å; Q214-N456 HydrophobicContact CB-CB 4.38Å; Q214-N456 HydrophobicContact CG-CB 4.08Å
215	N	95.6	Very high	95.8	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-62.7	-32.3	-171.8	70.8	-47.8	0	0	0	115.9	T218 T219 E267 Y271 Y274 T275	N215-T218 PolarHBondContact O-OG1 2.71Å; N215-T219 WeakPolarHBondContact O-CB 3.2Å; N215-T219 PolarHBondContact O-N 3.01Å; N215-T219 PolarHBondContact O-OG1 3.02Å; N215-E267 PolarHBondContact N-OE2 2.87Å; N215-E267 PolarHBondContact OD1-OE1 3.31Å; N215-Y271 HydrophobicContact CB-CD1 4.1Å; N215-Y271 VanDerWaalsContact ND2-CD1 3.28Å; N215-Y271 WeakPolarHBondContact ND2-CD1 3.43Å; N215-Y271 WeakPolarHBondContact ND2-CE1 3.46Å; N215-Y274 HydrophobicContact CB-CG 4.4Å; N215-T275 VanDerWaalsContact CA-OG1 3.29Å; N215-T275 WeakPolarHBondContact CA-OG1 3.43Å; N215-T275 WeakPolarHBondContact CB-OG1 3.47Å
216	H	96.4	Very high	96.1	Very high	39 Å²	39	16.3 Å²	16.3	18%	0.181	8%	0.082	C	C	.	.	H	α-helix	trans	-72.5	-40.9	174.5	-64.2	-139.7	0	0	0	110.2	D158 V160 W208 Q214 T219 N220	D158-H216 IonicContact OD1-CE1 3.06Å; D158-H216 PolarHBondContact OD1-CE1 3.34Å; D158-H216 VanDerWaalsContact OD1-CE1 3.27Å; D158-H216 IonicContact OD1-ND1 2.64Å; D158-H216 PolarHBondContact OD1-ND1 3.08Å; D158-H216 IonicContact OD2-CE1 3.1Å; D158-H216 PolarHBondContact OD2-CE1 3.23Å; V160-H216 HydrophobicContact CG2-CB 3.79Å; V160-H216 WeakPolarHBondContact CG2-ND1 3.31Å; W208-H216 HydrophobicContact CB-CB 3.98Å; Q214-H216 VanDerWaalsContact CD-N 3.32Å; Q214-H216 PolarHBondContact NE2-CD2 3.02Å; Q214-H216 PolarHBondContact O-N 3.5Å; Q214-H216 VanDerWaalsContact OE1-CB 3.28Å; H216-T219 PolarHBondContact O-N 2.94Å; H216-N220 VanDerWaalsContact O-CB 3.26Å; H216-N220 WeakPolarHBondContact O-CB 3.43Å; H216-N220 PolarHBondContact O-N 2.9Å; H216-N220 PolarHBondContact O-OD1 3.36Å
217	Q	96.9	Very high	96.3	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-57.4	-55	178.3	-175.5	-103.4	-16.1	0	0	111.7	W208 Q211 Q214 T219 I221 T253	W208-Q217 HydrophobicContact CB-CB 4.45Å; W208-Q217 WeakPolarHBondContact O-CB 3.13Å; W208-Q217 WeakPolarHBondContact O-CG 3.14Å; Q211-Q217 WeakPolarHBondContact O-CB 3.3Å; Q211-Q217 VanDerWaalsContact O-CG 3.29Å; Q211-Q217 WeakPolarHBondContact O-CG 3.21Å; Q214-Q217 WeakPolarHBondContact O-CB 3.43Å; Q214-Q217 PolarHBondContact O-N 2.95Å; Q214-Q217 VanDerWaalsContact OE1-N 3.11Å; Q217-T219 VanDerWaalsContact C-N 3.32Å; Q217-T219 PolarHBondContact O-N 3.26Å; Q217-I221 HydrophobicContact CG-CG1 4.46Å; Q217-I221 WeakPolarHBondContact O-CB 3.31Å; Q217-I221 WeakPolarHBondContact O-CG1 3.34Å; Q217-I221 PolarHBondContact O-N 2.9Å; Q217-T253 PolarHBondContact NE2-OG1 3.16Å; Q217-T253 PolarHBondContact OE1-OG1 2.94Å
218	T	97.4	Very high	96.7	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-65.6	-34.3	-178.4	57.1	0	0	0	0	112.9	Q214 N215 L222 M250 T253 T275 S278 I279	Q214-T218 PolarHBondContact O-N 3.01Å; Q214-T218 PolarHBondContact O-OG1 3.37Å; N215-T218 PolarHBondContact O-OG1 2.71Å; T218-L222 VanDerWaalsContact O-CB 3.23Å; T218-L222 WeakPolarHBondContact O-CB 3.28Å; T218-L222 PolarHBondContact O-N 3.32Å; T218-M250 HydrophobicContact CG2-CE 4.3Å; T218-T253 HydrophobicContact CG2-CG2 3.97Å; T218-T275 HydrophobicContact CG2-CG2 4Å; T218-S278 WeakPolarHBondContact O-CB 3.33Å; T218-I279 HydrophobicContact CG2-CD1 3.91Å; T218-I279 HydrophobicContact CG2-CG1 4.37Å
219	T	98.2	Very high	96.9	Very high	2 Å²	2	11 Å²	11	1%	0.012	5%	0.05	C	C	.	.	H	α-helix	trans	-73.1	-45.4	178.4	-61.6	0	0	0	0	112.5	A163 N215 H216 Q217 A223 Y274 S278	A163-T219 HydrophobicContact CB-CG2 4.27Å; N215-T219 WeakPolarHBondContact O-CB 3.2Å; N215-T219 PolarHBondContact O-N 3.01Å; N215-T219 PolarHBondContact O-OG1 3.02Å; H216-T219 PolarHBondContact O-N 2.94Å; Q217-T219 VanDerWaalsContact C-N 3.32Å; Q217-T219 PolarHBondContact O-N 3.26Å; T219-A223 PolarHBondContact O-N 2.79Å; T219-A223 VanDerWaalsContact O-N 3.11Å; T219-Y274 HydrophobicContact CG2-CE2 4.17Å; T219-Y274 WeakPolarHBondContact OG1-CE2 3.32Å; T219-S278 PolarHBondContact OG1-OG 3.36Å
220	N	98.5	Very high	97.2	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-73.8	-40.5	-175.4	-64.6	-4.3	0	0	0	111.6	V160 A163 L199 W208 H216 A223 I224	V160-N220 WeakPolarHBondContact CG2-OD1 3.37Å; A163-N220 HydrophobicContact CB-CB 4.39Å; A163-N220 WeakPolarHBondContact CB-OD1 3.42Å; L199-N220 HydrophobicContact CD1-CB 4.43Å; W208-N220 HydrophobicContact CD2-CB 3.92Å; W208-N220 VanDerWaalsContact CE2-ND2 3.29Å; W208-N220 HydrophobicContact CE3-CB 3.62Å; W208-N220 HydrophobicContact CH2-CB 3.8Å; W208-N220 HydrophobicContact CZ2-CB 4.09Å; W208-N220 HydrophobicContact CZ3-CB 3.56Å; W208-N220 PolarHBondContact NE1-ND2 3.49Å; H216-N220 VanDerWaalsContact O-CB 3.26Å; H216-N220 WeakPolarHBondContact O-CB 3.43Å; H216-N220 PolarHBondContact O-N 2.9Å; H216-N220 PolarHBondContact O-OD1 3.36Å; N220-A223 PolarHBondContact O-N 3.17Å; N220-I224 WeakPolarHBondContact O-CG1 3.24Å; N220-I224 PolarHBondContact O-N 3.4Å; N220-I224 VanDerWaalsContact O-N 3.14Å
221	I	98.5	Very high	97.5	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-65.9	-37.8	176	-63.4	-69.8	0	0	0	111.5	W208 Q217 I224 L225 S246 Y249 M250	W208-I221 HydrophobicContact CE3-CD1 4.48Å; W208-I221 HydrophobicContact CZ3-CD1 3.92Å; W208-I221 HydrophobicContact CZ3-CG1 4.27Å; Q217-I221 HydrophobicContact CG-CG1 4.46Å; Q217-I221 WeakPolarHBondContact O-CB 3.31Å; Q217-I221 WeakPolarHBondContact O-CG1 3.34Å; Q217-I221 PolarHBondContact O-N 2.9Å; I221-I224 HydrophobicContact CD1-CD1 4.38Å; I221-I224 PolarHBondContact O-N 2.84Å; I221-L225 PolarHBondContact O-N 3.4Å; I221-S246 WeakPolarHBondContact CG2-O 3.35Å; I221-Y249 HydrophobicContact CD1-CD2 3.81Å; I221-Y249 HydrophobicContact CD1-CE2 4.49Å; I221-Y249 HydrophobicContact CD1-CG 4Å; I221-M250 HydrophobicContact CB-CG 4.47Å; I221-M250 HydrophobicContact CB-SD 4.06Å; I221-M250 HydrophobicContact CG2-CG 3.58Å; I221-M250 HydrophobicContact CG2-SD 3.8Å
222	L	98.4	Very high	97.5	Very high	3 Å²	3	5.1 Å²	5.1	2%	0.016	3%	0.028	C	C	.	.	H	α-helix	trans	-65.2	-37.9	173.8	176.9	66.2	0	0	0	112.3	T218 L225 T226 Q281 L285	T218-L222 VanDerWaalsContact O-CB 3.23Å; T218-L222 WeakPolarHBondContact O-CB 3.28Å; T218-L222 PolarHBondContact O-N 3.32Å; L222-L225 PolarHBondContact O-N 3.37Å; L222-T226 WeakPolarHBondContact O-CB 3.34Å; L222-T226 PolarHBondContact O-N 2.92Å; L222-T226 PolarHBondContact O-OG1 3.19Å; L222-Q281 HydrophobicContact CD1-CB 4.09Å; L222-Q281 HydrophobicContact CD2-CB 3.6Å; L222-Q281 HydrophobicContact CD2-CG 4.32Å; L222-L285 HydrophobicContact CD1-CD1 4.01Å
223	A	98.8	Very high	97.3	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-63.5	-44.3	177.6	0	0	0	0	0	111.7	A163 L166 T167 L199 T219 N220 L225 T226 G227	A163-A223 HydrophobicContact CB-CB 3.6Å; A163-A223 WeakPolarHBondContact O-CB 3.19Å; L166-A223 HydrophobicContact CB-CB 4.48Å; L166-A223 HydrophobicContact CD2-CB 4.18Å; L166-A223 WeakPolarHBondContact CD2-O 3.37Å; L166-A223 HydrophobicContact CG-CB 4.47Å; T167-A223 WeakPolarHBondContact OG1-CA 3.39Å; T167-A223 VanDerWaalsContact OG1-CB 3.31Å; T167-A223 WeakPolarHBondContact OG1-CB 3.38Å; L199-A223 HydrophobicContact CD2-CB 3.86Å; T219-A223 PolarHBondContact O-N 2.79Å; T219-A223 VanDerWaalsContact O-N 3.11Å; N220-A223 PolarHBondContact O-N 3.17Å; A223-L225 VanDerWaalsContact C-N 3.35Å; A223-L225 PolarHBondContact O-N 3.1Å; A223-T226 PolarHBondContact O-N 3.23Å; A223-G227 PolarHBondContact O-N 2.96Å
224	I	98.8	Very high	97.2	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.005	5%	0.045	C	C	.	.	H	α-helix	trans	-56.8	-49.3	171.7	-62	163.5	0	0	0	110	T196 L199 W208 N220 I221 T226 G227 A228 W242 S246	T196-I224 HydrophobicContact CG2-CG2 4.09Å; T196-I224 WeakPolarHBondContact CG2-O 3.46Å; L199-I224 HydrophobicContact CB-CG1 3.98Å; L199-I224 HydrophobicContact CD2-CG1 3.82Å; L199-I224 HydrophobicContact CG-CD1 4.02Å; L199-I224 HydrophobicContact CG-CG1 3.66Å; W208-I224 HydrophobicContact CH2-CD1 4.21Å; W208-I224 HydrophobicContact CZ3-CD1 4.39Å; N220-I224 WeakPolarHBondContact O-CG1 3.24Å; N220-I224 PolarHBondContact O-N 3.4Å; N220-I224 VanDerWaalsContact O-N 3.14Å; I221-I224 HydrophobicContact CD1-CD1 4.38Å; I221-I224 PolarHBondContact O-N 2.84Å; I224-T226 VanDerWaalsContact C-N 3.34Å; I224-T226 PolarHBondContact O-N 3.32Å; I224-G227 PolarHBondContact O-N 3.34Å; I224-A228 WeakPolarHBondContact O-CB 3.25Å; I224-A228 PolarHBondContact O-N 2.79Å; I224-W242 HydrophobicContact CG2-CB 4.06Å; I224-S246 WeakPolarHBondContact CG2-OG 3.48Å
225	L	98.8	Very high	96.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.3	-41.8	-179	-174.9	60.1	0	0	0	112.6	I221 L222 A223 A228 I229 K243 V247 Y282 F290	I221-L225 PolarHBondContact O-N 3.4Å; L222-L225 PolarHBondContact O-N 3.37Å; A223-L225 VanDerWaalsContact C-N 3.35Å; A223-L225 PolarHBondContact O-N 3.1Å; L225-A228 PolarHBondContact O-N 3.17Å; L225-I229 HydrophobicContact CD1-CD1 4.14Å; L225-I229 HydrophobicContact CD1-CG1 4.37Å; L225-I229 HydrophobicContact CG-CD1 3.98Å; L225-I229 VanDerWaalsContact O-CG1 3.3Å; L225-I229 WeakPolarHBondContact O-CG1 3.15Å; L225-I229 PolarHBondContact O-N 3.08Å; L225-K243 HydrophobicContact CD1-CB 4.42Å; L225-K243 HydrophobicContact CD1-CG 4.35Å; L225-V247 HydrophobicContact CD1-CG2 4.29Å; L225-Y282 HydrophobicContact CD2-CD2 3.69Å; L225-Y282 HydrophobicContact CD2-CE2 3.95Å; L225-F290 HydrophobicContact CD1-CE2 3.91Å; L225-F290 HydrophobicContact CD1-CZ 4.01Å
226	T	98.8	Very high	96.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.1	-48	179.9	-54.4	0	0	0	0	110.8	L57 A170 L222 A223 I224 I229 V230	L57-T226 HydrophobicContact CD1-CG2 3.94Å; L57-T226 HydrophobicContact CD2-CG2 4.11Å; A170-T226 HydrophobicContact CB-CG2 4.14Å; L222-T226 WeakPolarHBondContact O-CB 3.34Å; L222-T226 PolarHBondContact O-N 2.92Å; L222-T226 PolarHBondContact O-OG1 3.19Å; A223-T226 PolarHBondContact O-N 3.23Å; I224-T226 VanDerWaalsContact C-N 3.34Å; I224-T226 PolarHBondContact O-N 3.32Å; T226-I229 PolarHBondContact O-N 3.17Å; T226-V230 PolarHBondContact O-N 3.01Å
227	G	98.5	Very high	96.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.1	-44.8	174.4	0	0	0	0	0	112.4	T196 A223 I224 I229 V230 V231	T196-G227 WeakPolarHBondContact OG1-CA 3.39Å; A223-G227 PolarHBondContact O-N 2.96Å; I224-G227 PolarHBondContact O-N 3.34Å; G227-I229 PolarHBondContact O-N 2.81Å; G227-V230 PolarHBondContact O-N 2.89Å; G227-V231 WeakPolarHBondContact O-CG2 3.29Å; G227-V231 PolarHBondContact O-N 3.44Å
228	A	98.4	Very high	96.2	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63	-35.4	179.5	0	0	0	0	0	113.6	T196 I224 L225 G232 W242 K243	T196-A228 HydrophobicContact CG2-CB 4.37Å; I224-A228 WeakPolarHBondContact O-CB 3.25Å; I224-A228 PolarHBondContact O-N 2.79Å; L225-A228 PolarHBondContact O-N 3.17Å; A228-G232 PolarHBondContact O-N 3.17Å; A228-W242 HydrophobicContact CB-CB 3.73Å; A228-W242 HydrophobicContact CB-CE3 4.2Å; A228-K243 HydrophobicContact CB-CG 3.97Å; A228-K243 WeakPolarHBondContact O-CE 3.23Å
229	I	98.2	Very high	96	Very high	6 Å²	6	24.1 Å²	24.1	3%	0.031	14%	0.137	C	C	.	.	H	α-helix	trans	-67.5	-42.6	173.8	-68.5	164.4	0	0	0	110.8	L57 L225 T226 G227 S233 L285 H289 F290	L57-I229 HydrophobicContact CD2-CB 3.98Å; L57-I229 HydrophobicContact CD2-CG2 3.73Å; L225-I229 HydrophobicContact CD1-CD1 4.14Å; L225-I229 HydrophobicContact CD1-CG1 4.37Å; L225-I229 HydrophobicContact CG-CD1 3.98Å; L225-I229 VanDerWaalsContact O-CG1 3.3Å; L225-I229 WeakPolarHBondContact O-CG1 3.15Å; L225-I229 PolarHBondContact O-N 3.08Å; T226-I229 PolarHBondContact O-N 3.17Å; G227-I229 PolarHBondContact O-N 2.81Å; I229-S233 PolarHBondContact O-N 2.7Å; I229-S233 VanDerWaalsContact O-N 3.14Å; I229-S233 PolarHBondContact O-OG 2.86Å; I229-L285 HydrophobicContact CD1-CB 4.47Å; I229-H289 HydrophobicContact CD1-CB 4.46Å; I229-F290 HydrophobicContact CD1-CE2 4.45Å; I229-F290 HydrophobicContact CD1-CZ 4.26Å; I229-F290 HydrophobicContact CG1-CZ 4.22Å
230	V	97.8	Very high	95.9	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	16%	0.164	C	C	.	.	H	α-helix	trans	-64.9	-55.9	178.1	173.8	0	0	0	0	111.4	L57 A170 Y173 D174 I192 T226 G227 G232 S233 H234	L57-V230 HydrophobicContact CD1-CG2 3.7Å; L57-V230 HydrophobicContact CD2-CG2 4.07Å; L57-V230 HydrophobicContact CG-CG2 3.89Å; A170-V230 HydrophobicContact CB-CG2 4.19Å; Y173-V230 HydrophobicContact CD1-CG1 3.5Å; Y173-V230 VanDerWaalsContact CD1-CG1 3.5Å; Y173-V230 HydrophobicContact CE1-CG1 3.74Å; D174-V230 HydrophobicContact CB-CG2 4.46Å; I192-V230 HydrophobicContact CD1-CG1 4.17Å; T226-V230 PolarHBondContact O-N 3.01Å; G227-V230 PolarHBondContact O-N 2.89Å; V230-G232 VanDerWaalsContact C-N 3.29Å; V230-G232 PolarHBondContact O-N 2.64Å; V230-S233 VanDerWaalsContact O-CB 3.29Å; V230-S233 WeakPolarHBondContact O-CB 3.39Å; V230-S233 PolarHBondContact O-N 2.91Å; V230-H234 PolarHBondContact O-CD2 3.01Å
231	V	96.9	Very high	95.8	Very high	3 Å²	3	33 Å²	33	2%	0.018	18%	0.181	C	C	.	.	H	α-helix	trans	-63.3	-36.7	-179	-57.2	0	0	0	0	112.1	L189 I192 H193 G227 S233 H234 D236 W242	L189-V231 HydrophobicContact CD1-CB 4.31Å; L189-V231 HydrophobicContact CD1-CG1 3.86Å; I192-V231 HydrophobicContact CB-CG1 4.29Å; I192-V231 HydrophobicContact CG2-CG1 3.78Å; H193-V231 HydrophobicContact CB-CG1 4.18Å; G227-V231 WeakPolarHBondContact O-CG2 3.29Å; G227-V231 PolarHBondContact O-N 3.44Å; V231-S233 PolarHBondContact O-N 3.31Å; V231-H234 PolarHBondContact O-N 3.17Å; V231-D236 HydrophobicContact CB-CB 4.1Å; V231-D236 HydrophobicContact CG2-CB 4.17Å; V231-D236 VanDerWaalsContact O-CB 3.28Å; V231-D236 WeakPolarHBondContact O-CB 3.48Å; V231-D236 PolarHBondContact O-N 2.86Å; V231-W242 HydrophobicContact CG2-CE3 4.29Å; V231-W242 HydrophobicContact CG2-CZ3 3.91Å
232	G	94.8	Very high	95.8	Very high	16 Å²	16	33 Å²	33	17%	0.165	18%	0.181	C	C	.	.	H	α-helix	trans	-64.7	-23.3	174.5	0	0	0	0	0	114.5	A228 V230 H234 N235 S239	A228-G232 PolarHBondContact O-N 3.17Å; V230-G232 VanDerWaalsContact C-N 3.29Å; V230-G232 PolarHBondContact O-N 2.64Å; G232-H234 PolarHBondContact O-N 2.82Å; G232-N235 PolarHBondContact O-N 3.06Å; G232-N235 VanDerWaalsContact O-N 3.15Å; G232-S239 VanDerWaalsContact CA-OG 3.26Å; G232-S239 WeakPolarHBondContact CA-OG 3.37Å
233	S	93.1	Very high	95.8	Very high	31 Å²	31	33.9 Å²	33.9	22%	0.217	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-14.9	172.5	-58.5	0	0	0	0	112.4	N56 I229 V230 V231	N56-S233 PolarHBondContact ND2-OG 3.4Å; I229-S233 PolarHBondContact O-N 2.7Å; I229-S233 VanDerWaalsContact O-N 3.14Å; I229-S233 PolarHBondContact O-OG 2.86Å; V230-S233 VanDerWaalsContact O-CB 3.29Å; V230-S233 WeakPolarHBondContact O-CB 3.39Å; V230-S233 PolarHBondContact O-N 2.91Å; V231-S233 PolarHBondContact O-N 3.31Å
234	H	92.9	Very high	95.8	Very high	50 Å²	50	40.4 Å²	40.4	23%	0.231	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	11.6	172.7	-59.6	-70.2	0	0	0	114	H54 Y173 Y177 L189 V230 V231 G232	H54-H234 AromaticContact CD2-CE1 3.85Å; H54-H234 AromaticContact CE1-NE2 3.87Å; H54-H234 AromaticContact NE2-CE1 3.18Å; H54-H234 PolarHBondContact NE2-CE1 3.5Å; H54-H234 AromaticContact NE2-NE2 3.15Å; H54-H234 PolarHBondContact NE2-NE2 3.27Å; H54-H234 VanDerWaalsContact NE2-NE2 3.15Å; Y173-H234 AromaticContact CE1-NE2 3.59Å; Y173-H234 AromaticContact CZ-NE2 3.89Å; Y173-H234 PolarHBondContact OH-NE2 2.92Å; Y177-H234 AromaticContact CE2-CE1 3.61Å; Y177-H234 AromaticContact CZ-CE1 3.91Å; L189-H234 WeakPolarHBondContact CD1-CD2 3.35Å; L189-H234 HydrophobicContact CD2-CB 4.01Å; V230-H234 PolarHBondContact O-CD2 3.01Å; V231-H234 PolarHBondContact O-N 3.17Å; G232-H234 PolarHBondContact O-N 2.82Å
235	N	88.2	Confident	95.6	Very high	150 Å²	150	42 Å²	42	80%	0.802	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.4	31.6	-176.7	-45.1	-92.7	0	0	0	114.4	G232	G232-N235 PolarHBondContact O-N 3.06Å; G232-N235 VanDerWaalsContact O-N 3.15Å
236	D	92.8	Very high	95.6	Very high	31 Å²	31	42.1 Å²	42.1	17%	0.166	23%	0.226	C	C	.	.			trans	-62.2	129.4	171.7	-180	-90.1	0	0	0	112.3	H193 V231 E238 S239	H193-D236 IonicContact CD2-OD2 3.68Å; H193-D236 PolarHBondContact CD2-OD2 2.93Å; H193-D236 VanDerWaalsContact CD2-OD2 3.26Å; H193-D236 IonicContact NE2-OD2 3.48Å; H193-D236 PolarHBondContact NE2-OD2 2.84Å; V231-D236 HydrophobicContact CB-CB 4.1Å; V231-D236 HydrophobicContact CG2-CB 4.17Å; V231-D236 VanDerWaalsContact O-CB 3.28Å; V231-D236 WeakPolarHBondContact O-CB 3.48Å; V231-D236 PolarHBondContact O-N 2.86Å; D236-E238 PolarHBondContact OD1-N 2.83Å; D236-S239 PolarHBondContact O-OG 3.38Å; D236-S239 WeakPolarHBondContact OD1-CB 3.32Å; D236-S239 PolarHBondContact OD1-N 2.91Å
237	P	88.8	Confident	95.6	Very high	112 Å²	112	43.1 Å²	43.1	73%	0.727	23%	0.232	S	C	*	.	S	Bend	trans	-75	-29.3	-173	30.3	-35.6	0	0	0	114.2
238	E	93.1	Very high	95.5	Very high	97 Å²	97	47.1 Å²	47.1	45%	0.453	25%	0.253	S	S	.	.	S	Bend	trans	-85.3	-23.4	-177.7	-59.2	-155.9	173.6	0	0	112.3	D236 M240 I241 W242	D236-E238 PolarHBondContact OD1-N 2.83Å; E238-M240 PolarHBondContact O-N 2.68Å; E238-I241 WeakPolarHBondContact O-CG2 3.42Å; E238-I241 PolarHBondContact O-N 2.91Å; E238-W242 HydrophobicContact CB-CH2 4.11Å; E238-W242 HydrophobicContact CB-CZ2 3.62Å; E238-W242 PolarHBondContact O-N 2.97Å
239	S	94.7	Very high	95.4	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.021	26%	0.262	C	S	.	.	H	α-helix	trans	-46.9	-29.9	177.1	77	0	0	0	0	114.6	G232 D236 K243	G232-S239 VanDerWaalsContact CA-OG 3.26Å; G232-S239 WeakPolarHBondContact CA-OG 3.37Å; D236-S239 PolarHBondContact O-OG 3.38Å; D236-S239 WeakPolarHBondContact OD1-CB 3.32Å; D236-S239 PolarHBondContact OD1-N 2.91Å; S239-K243 WeakPolarHBondContact O-CB 3.34Å; S239-K243 VanDerWaalsContact O-CD 3.22Å; S239-K243 WeakPolarHBondContact O-CD 3.44Å; S239-K243 WeakPolarHBondContact O-CG 3.46Å; S239-K243 PolarHBondContact O-N 2.85Å; S239-K243 PolarHBondContact OG-NZ 2.86Å
240	M	95.6	Very high	95.4	Very high	118 Å²	118	49 Å²	49	58%	0.581	26%	0.26	S	S	*	.	H	α-helix	trans	-71.3	-39	179.9	-69.1	-55.6	-58.3	0	0	113.7	E238 K243 Q244	E238-M240 PolarHBondContact O-N 2.68Å; M240-K243 HydrophobicContact SD-CD 3.85Å; M240-K243 PolarHBondContact SD-NZ 3.21Å; M240-Q244 WeakPolarHBondContact O-CB 3.41Å; M240-Q244 PolarHBondContact O-N 2.59Å
241	I	97	Very high	95.4	Very high	70 Å²	70	51.9 Å²	51.9	36%	0.359	27%	0.274	S	S	.	.	H	α-helix	trans	-72.4	-37	176.7	-172.3	64.2	0	0	0	110.6	E238 Q244 V245	E238-I241 WeakPolarHBondContact O-CG2 3.42Å; E238-I241 PolarHBondContact O-N 2.91Å; I241-Q244 PolarHBondContact O-N 3.22Å; I241-V245 HydrophobicContact CD1-CG2 4.06Å; I241-V245 HydrophobicContact CG1-CG2 4.23Å; I241-V245 WeakPolarHBondContact O-CB 3.3Å; I241-V245 WeakPolarHBondContact O-CG2 3.14Å; I241-V245 PolarHBondContact O-N 3.37Å
242	W	98.2	Very high	95.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.2	-43.7	175.6	-54.4	-20.8	0	0	0	112.4	H193 T196 E197 Y200 I224 A228 V231 E238 S246	H193-W242 AromaticContact CD2-CH2 3.99Å; H193-W242 AromaticContact CE1-CH2 3.74Å; H193-W242 AromaticContact ND1-CH2 3.93Å; H193-W242 AromaticContact NE2-CH2 3.79Å; T196-W242 HydrophobicContact CG2-CD2 4.02Å; T196-W242 HydrophobicContact CG2-CE3 3.39Å; T196-W242 HydrophobicContact CG2-CZ3 3.81Å; E197-W242 HydrophobicContact CB-CH2 3.98Å; E197-W242 HydrophobicContact CB-CZ2 3.79Å; E197-W242 HydrophobicContact CG-CZ2 4.1Å; Y200-W242 AromaticContact CD1-CD1 3.33Å; Y200-W242 HydrophobicContact CD1-CG 4.48Å; Y200-W242 AromaticContact CD1-NE1 3.26Å; Y200-W242 VanDerWaalsContact CD1-NE1 3.26Å; Y200-W242 AromaticContact CD2-CD1 3.66Å; Y200-W242 HydrophobicContact CD2-CG 4.44Å; Y200-W242 AromaticContact CE1-CD1 3.59Å; Y200-W242 AromaticContact CE1-NE1 3.59Å; Y200-W242 AromaticContact CE2-CD1 3.91Å; Y200-W242 AromaticContact CG-CD1 3.35Å; Y200-W242 HydrophobicContact CG-CG 4.22Å; Y200-W242 AromaticContact CG-NE1 3.71Å; Y200-W242 AromaticContact CZ-CD1 3.87Å; I224-W242 HydrophobicContact CG2-CB 4.06Å; A228-W242 HydrophobicContact CB-CB 3.73Å; A228-W242 HydrophobicContact CB-CE3 4.2Å; V231-W242 HydrophobicContact CG2-CE3 4.29Å; V231-W242 HydrophobicContact CG2-CZ3 3.91Å; E238-W242 HydrophobicContact CB-CH2 4.11Å; E238-W242 HydrophobicContact CB-CZ2 3.62Å; E238-W242 PolarHBondContact O-N 2.97Å; W242-S246 WeakPolarHBondContact O-CB 3.37Å; W242-S246 PolarHBondContact O-N 3.04Å; W242-S246 PolarHBondContact O-OG 2.93Å
243	K	98.2	Very high	95.6	Very high	22 Å²	22	53.5 Å²	53.5	10%	0.096	28%	0.276	C	S	.	.	H	α-helix	trans	-58.1	-52.6	171.6	-72.3	158.4	-167.7	153.6	0	111.1	L225 A228 S239 M240 V245 S246 V247 F290	L225-K243 HydrophobicContact CD1-CB 4.42Å; L225-K243 HydrophobicContact CD1-CG 4.35Å; A228-K243 HydrophobicContact CB-CG 3.97Å; A228-K243 WeakPolarHBondContact O-CE 3.23Å; S239-K243 WeakPolarHBondContact O-CB 3.34Å; S239-K243 VanDerWaalsContact O-CD 3.22Å; S239-K243 WeakPolarHBondContact O-CD 3.44Å; S239-K243 WeakPolarHBondContact O-CG 3.46Å; S239-K243 PolarHBondContact O-N 2.85Å; S239-K243 PolarHBondContact OG-NZ 2.86Å; M240-K243 HydrophobicContact SD-CD 3.85Å; M240-K243 PolarHBondContact SD-NZ 3.21Å; K243-V245 PolarHBondContact O-N 3.4Å; K243-S246 PolarHBondContact O-N 2.98Å; K243-V247 WeakPolarHBondContact O-CB 3.42Å; K243-V247 VanDerWaalsContact O-CG2 3.3Å; K243-V247 WeakPolarHBondContact O-CG2 3.41Å; K243-V247 PolarHBondContact O-N 2.87Å; K243-F290 HydrophobicContact CB-CE1 4.4Å; K243-F290 HydrophobicContact CB-CZ 4.21Å; K243-F290 HydrophobicContact CD-CE1 4.3Å; K243-F290 HydrophobicContact CD-CZ 4.46Å; K243-F290 HydrophobicContact CG-CE1 4.37Å; K243-F290 HydrophobicContact CG-CZ 4.08Å
244	Q	97.4	Very high	95.8	Very high	137 Å²	137	52.1 Å²	52.1	64%	0.64	27%	0.266	S	S	*	.	H	α-helix	trans	-62.1	-43.3	-175.5	-174.3	178.8	5.4	0	0	112.3	M240 I241 N248	M240-Q244 WeakPolarHBondContact O-CB 3.41Å; M240-Q244 PolarHBondContact O-N 2.59Å; I241-Q244 PolarHBondContact O-N 3.22Å; Q244-N248 WeakPolarHBondContact O-CB 3.41Å; Q244-N248 PolarHBondContact O-N 3.34Å
245	V	96.6	Very high	96	Very high	36 Å²	36	53 Å²	53	22%	0.218	27%	0.269	C	S	.	.	H	α-helix	trans	-67.7	-44.3	178.4	171.4	0	0	0	0	111	Y200 I241 K243 V247 N248 Y249	Y200-V245 HydrophobicContact CE2-CB 4.07Å; Y200-V245 HydrophobicContact CE2-CG1 4.1Å; Y200-V245 HydrophobicContact CE2-CG2 4.07Å; I241-V245 HydrophobicContact CD1-CG2 4.06Å; I241-V245 HydrophobicContact CG1-CG2 4.23Å; I241-V245 WeakPolarHBondContact O-CB 3.3Å; I241-V245 WeakPolarHBondContact O-CG2 3.14Å; I241-V245 PolarHBondContact O-N 3.37Å; K243-V245 PolarHBondContact O-N 3.4Å; V245-V247 PolarHBondContact O-N 2.86Å; V245-N248 PolarHBondContact O-N 2.99Å; V245-Y249 HydrophobicContact CG1-CD2 3.78Å; V245-Y249 HydrophobicContact CG1-CE2 3.7Å; V245-Y249 WeakPolarHBondContact O-CD2 3.2Å; V245-Y249 PolarHBondContact O-N 2.84Å
246	S	98.3	Very high	96.4	Very high	1 Å²	1	46 Å²	46	1%	0.007	23%	0.232	C	C	.	.	H	α-helix	trans	-64.7	-42.2	178.9	-58.4	0	0	0	0	112.4	I221 I224 W242 K243 N248 Y249 M250	I221-S246 WeakPolarHBondContact CG2-O 3.35Å; I224-S246 WeakPolarHBondContact CG2-OG 3.48Å; W242-S246 WeakPolarHBondContact O-CB 3.37Å; W242-S246 PolarHBondContact O-N 3.04Å; W242-S246 PolarHBondContact O-OG 2.93Å; K243-S246 PolarHBondContact O-N 2.98Å; S246-N248 VanDerWaalsContact C-N 3.35Å; S246-N248 PolarHBondContact O-N 2.72Å; S246-Y249 PolarHBondContact O-N 3.34Å; S246-M250 WeakPolarHBondContact O-CG 3.3Å; S246-M250 PolarHBondContact O-N 2.92Å
247	V	98.4	Very high	96.7	Very high	22 Å²	22	44.5 Å²	44.5	13%	0.133	22%	0.224	C	C	.	.	H	α-helix	trans	-60.7	-42.9	172.4	169.2	0	0	0	0	110.8	L225 K243 V245 Y249 M250 E251 Y282 F290 I292	L225-V247 HydrophobicContact CD1-CG2 4.29Å; K243-V247 WeakPolarHBondContact O-CB 3.42Å; K243-V247 VanDerWaalsContact O-CG2 3.3Å; K243-V247 WeakPolarHBondContact O-CG2 3.41Å; K243-V247 PolarHBondContact O-N 2.87Å; V245-V247 PolarHBondContact O-N 2.86Å; V247-Y249 PolarHBondContact O-N 3.36Å; V247-M250 PolarHBondContact O-N 3.44Å; V247-E251 HydrophobicContact CG1-CG 4.11Å; V247-E251 WeakPolarHBondContact O-CB 3.34Å; V247-E251 WeakPolarHBondContact O-CG 3.17Å; V247-E251 PolarHBondContact O-N 3.38Å; V247-Y282 HydrophobicContact CG2-CE2 4.42Å; V247-F290 HydrophobicContact CG2-CD2 3.67Å; V247-F290 HydrophobicContact CG2-CE2 3.63Å; V247-F290 HydrophobicContact CG2-CG 4.46Å; V247-F290 HydrophobicContact CG2-CZ 4.35Å; V247-I292 HydrophobicContact CG1-CD1 3.61Å
248	N	97.1	Very high	96.9	Very high	83 Å²	83	40.5 Å²	40.5	44%	0.444	20%	0.197	S	C	.	.	H	α-helix	trans	-62.1	-40	178.2	-169.6	-97.2	0	0	0	113.3	Q244 V245 S246 K252	Q244-N248 WeakPolarHBondContact O-CB 3.41Å; Q244-N248 PolarHBondContact O-N 3.34Å; V245-N248 PolarHBondContact O-N 2.99Å; S246-N248 VanDerWaalsContact C-N 3.35Å; S246-N248 PolarHBondContact O-N 2.72Å; N248-K252 WeakPolarHBondContact O-CG 3.32Å; N248-K252 PolarHBondContact O-N 2.82Å; N248-K252 VanDerWaalsContact OD1-CE 3.31Å; N248-K252 WeakPolarHBondContact OD1-CE 3.36Å; N248-K252 PolarHBondContact OD1-NZ 3.39Å
249	Y	96.5	Very high	96.9	Very high	45 Å²	45	36.3 Å²	36.3	18%	0.176	18%	0.177	C	C	.	.	H	α-helix	trans	-67.3	-44.5	175.1	-86.2	-68.5	0	0	0	112.3	G209 Y212 I221 V245 S246 V247 K252 T253	G209-Y249 WeakPolarHBondContact O-CE1 3.35Å; G209-Y249 VanDerWaalsContact O-CZ 3.3Å; G209-Y249 PolarHBondContact O-OH 2.82Å; Y212-Y249 AromaticContact CE1-CD1 3.94Å; Y212-Y249 HydrophobicContact CE1-CD1 3.94Å; Y212-Y249 HydrophobicContact CE1-CE1 4.38Å; I221-Y249 HydrophobicContact CD1-CD2 3.81Å; I221-Y249 HydrophobicContact CD1-CE2 4.49Å; I221-Y249 HydrophobicContact CD1-CG 4Å; V245-Y249 HydrophobicContact CG1-CD2 3.78Å; V245-Y249 HydrophobicContact CG1-CE2 3.7Å; V245-Y249 WeakPolarHBondContact O-CD2 3.2Å; V245-Y249 PolarHBondContact O-N 2.84Å; S246-Y249 PolarHBondContact O-N 3.34Å; V247-Y249 PolarHBondContact O-N 3.36Å; Y249-K252 PolarHBondContact O-N 2.89Å; Y249-T253 PolarHBondContact O-N 3.37Å; Y249-T253 PolarHBondContact O-OG1 3.46Å
250	M	98.1	Very high	97	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-72.6	-35.4	-177.8	-64.2	-57.6	-75.5	0	0	112.5	T218 I221 S246 V247 K252 T253 M254 I279 Y282	T218-M250 HydrophobicContact CG2-CE 4.3Å; I221-M250 HydrophobicContact CB-CG 4.47Å; I221-M250 HydrophobicContact CB-SD 4.06Å; I221-M250 HydrophobicContact CG2-CG 3.58Å; I221-M250 HydrophobicContact CG2-SD 3.8Å; S246-M250 WeakPolarHBondContact O-CG 3.3Å; S246-M250 PolarHBondContact O-N 2.92Å; V247-M250 PolarHBondContact O-N 3.44Å; M250-K252 VanDerWaalsContact C-N 3.33Å; M250-K252 PolarHBondContact O-N 3.44Å; M250-T253 CarbonylContact O-C 3.1Å; M250-T253 WeakPolarHBondContact O-CA 3.46Å; M250-T253 WeakPolarHBondContact O-CB 3.37Å; M250-T253 PolarHBondContact O-N 2.62Å; M250-T253 VanDerWaalsContact O-N 3.13Å; M250-M254 WeakPolarHBondContact O-CG 3.1Å; M250-M254 PolarHBondContact O-N 3.14Å; M250-I279 HydrophobicContact CE-CD1 3.82Å; M250-Y282 HydrophobicContact CB-CD1 3.71Å; M250-Y282 HydrophobicContact CB-CD2 3.54Å; M250-Y282 HydrophobicContact CB-CE1 3.56Å; M250-Y282 HydrophobicContact CB-CE2 3.39Å; M250-Y282 HydrophobicContact CB-CG 3.71Å; M250-Y282 VanDerWaalsContact CB-CZ 3.41Å; M250-Y282 HydrophobicContact CE-CD1 4.27Å; M250-Y282 HydrophobicContact CE-CD2 4.43Å; M250-Y282 HydrophobicContact CE-CG 3.84Å; M250-Y282 HydrophobicContact CG-CD1 4.43Å; M250-Y282 HydrophobicContact CG-CD2 3.68Å; M250-Y282 HydrophobicContact CG-CE2 3.94Å; M250-Y282 HydrophobicContact CG-CG 3.96Å
251	E	98	Very high	96.9	Very high	62 Å²	62	31.5 Å²	31.5	29%	0.29	15%	0.154	S	C	.	.	H	α-helix	trans	-64	-36.1	172.6	-72.1	-58.1	93.4	0	0	112.3	V247 M254 F255 Y282 I292 N294	V247-E251 HydrophobicContact CG1-CG 4.11Å; V247-E251 WeakPolarHBondContact O-CB 3.34Å; V247-E251 WeakPolarHBondContact O-CG 3.17Å; V247-E251 PolarHBondContact O-N 3.38Å; E251-M254 PolarHBondContact O-N 2.6Å; E251-F255 WeakPolarHBondContact O-CB 3.1Å; E251-F255 PolarHBondContact O-N 3.35Å; E251-Y282 WeakPolarHBondContact CG-OH 3.46Å; E251-Y282 WeakPolarHBondContact OE1-CE1 3.18Å; E251-Y282 PolarHBondContact OE1-OH 3.41Å; E251-I292 WeakPolarHBondContact OE2-CG2 3.47Å; E251-N294 PolarHBondContact OE1-ND2 2.79Å
252	K	97.5	Very high	96.8	Very high	53 Å²	53	28.9 Å²	28.9	23%	0.23	14%	0.14	C	C	.	.	H	α-helix	trans	-64	-41.4	170.2	-75.6	168	177.2	158.8	0	111.8	Y212 N248 Y249 M250 F255 L256 W448	Y212-K252 HydrophobicContact CD1-CB 4.06Å; Y212-K252 HydrophobicContact CE1-CB 3.65Å; Y212-K252 HydrophobicContact CE1-CD 3.75Å; Y212-K252 HydrophobicContact CE1-CG 4.36Å; N248-K252 WeakPolarHBondContact O-CG 3.32Å; N248-K252 PolarHBondContact O-N 2.82Å; N248-K252 VanDerWaalsContact OD1-CE 3.31Å; N248-K252 WeakPolarHBondContact OD1-CE 3.36Å; N248-K252 PolarHBondContact OD1-NZ 3.39Å; Y249-K252 PolarHBondContact O-N 2.89Å; M250-K252 VanDerWaalsContact C-N 3.33Å; M250-K252 PolarHBondContact O-N 3.44Å; K252-F255 PolarHBondContact O-N 3.41Å; K252-L256 WeakPolarHBondContact O-CG 3.28Å; K252-L256 PolarHBondContact O-N 2.94Å; K252-W448 HydrophobicContact CB-CH2 3.8Å; K252-W448 HydrophobicContact CB-CZ3 3.84Å; K252-W448 HydrophobicContact CD-CE3 4Å; K252-W448 HydrophobicContact CD-CH2 4.46Å; K252-W448 HydrophobicContact CD-CZ3 3.96Å; K252-W448 HydrophobicContact CG-CE3 4.29Å; K252-W448 HydrophobicContact CG-CH2 3.89Å; K252-W448 HydrophobicContact CG-CZ2 4.32Å; K252-W448 HydrophobicContact CG-CZ3 3.89Å
253	T	97.8	Very high	96.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.3	-45	172.9	-60.7	0	0	0	0	111	L213 Q217 T218 Y249 M250 F255 L256 L257 I279	L213-T253 HydrophobicContact CD2-CG2 4.14Å; Q217-T253 PolarHBondContact NE2-OG1 3.16Å; Q217-T253 PolarHBondContact OE1-OG1 2.94Å; T218-T253 HydrophobicContact CG2-CG2 3.97Å; Y249-T253 PolarHBondContact O-N 3.37Å; Y249-T253 PolarHBondContact O-OG1 3.46Å; M250-T253 CarbonylContact O-C 3.1Å; M250-T253 WeakPolarHBondContact O-CA 3.46Å; M250-T253 WeakPolarHBondContact O-CB 3.37Å; M250-T253 PolarHBondContact O-N 2.62Å; M250-T253 VanDerWaalsContact O-N 3.13Å; T253-F255 PolarHBondContact O-N 2.98Å; T253-L256 PolarHBondContact O-N 2.82Å; T253-L257 HydrophobicContact CG2-CD1 4.19Å; T253-L257 HydrophobicContact CG2-CG 4.44Å; T253-L257 WeakPolarHBondContact O-CB 3.27Å; T253-L257 VanDerWaalsContact O-CG 3.28Å; T253-L257 WeakPolarHBondContact O-CG 3.47Å; T253-L257 PolarHBondContact O-N 3.18Å; T253-I279 HydrophobicContact CG2-CD1 3.81Å
254	M	97.8	Very high	96.8	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	-63.4	-39.1	176.2	-66	-51.2	-54.3	0	0	112.7	M250 E251 L257 N258 I279 Y282 V283 N294 N297 L300	M250-M254 WeakPolarHBondContact O-CG 3.1Å; M250-M254 PolarHBondContact O-N 3.14Å; E251-M254 PolarHBondContact O-N 2.6Å; M254-L257 HydrophobicContact CE-CD1 4.35Å; M254-L257 PolarHBondContact O-N 3.21Å; M254-L257 HydrophobicContact SD-CD1 3.97Å; M254-N258 PolarHBondContact O-N 2.88Å; M254-I279 HydrophobicContact CE-CG2 4.33Å; M254-I279 HydrophobicContact SD-CD1 4.12Å; M254-I279 HydrophobicContact SD-CG2 3.75Å; M254-Y282 HydrophobicContact CG-CD1 4.25Å; M254-Y282 HydrophobicContact CG-CE1 3.98Å; M254-Y282 HydrophobicContact SD-CD1 4.44Å; M254-V283 HydrophobicContact CE-CG2 3.97Å; M254-V283 HydrophobicContact SD-CG2 3.94Å; M254-N294 WeakPolarHBondContact CB-OD1 3.28Å; M254-N294 HydrophobicContact CE-CB 4.21Å; M254-N297 HydrophobicContact CE-CB 4.09Å; M254-N297 PolarHBondContact O-ND2 3.2Å; M254-L300 HydrophobicContact CE-CD1 4.32Å; M254-L300 HydrophobicContact CE-CG 4.49Å
255	F	96.6	Very high	96.8	Very high	68 Å²	68	21.3 Å²	21.3	30%	0.298	11%	0.106	S	C	.	.	H	α-helix	trans	-62.3	-43.8	174.5	174	-91.5	0	0	0	112.1	E251 K252 T253 N258 H259 Y446 W448 L1157	E251-F255 WeakPolarHBondContact O-CB 3.1Å; E251-F255 PolarHBondContact O-N 3.35Å; K252-F255 PolarHBondContact O-N 3.41Å; T253-F255 PolarHBondContact O-N 2.98Å; F255-N258 WeakPolarHBondContact O-CB 3.36Å; F255-N258 PolarHBondContact O-N 2.8Å; F255-H259 AromaticContact CE1-CE1 3.67Å; F255-H259 PolarHBondContact O-CE1 3.25Å; F255-H259 PolarHBondContact O-ND1 2.93Å; F255-Y446 HydrophobicContact CE1-CD1 4.32Å; F255-Y446 HydrophobicContact CE1-CD2 4.13Å; F255-Y446 AromaticContact CE1-CE1 3.89Å; F255-Y446 HydrophobicContact CE1-CE1 3.89Å; F255-Y446 AromaticContact CE1-CE2 3.68Å; F255-Y446 HydrophobicContact CE1-CE2 3.68Å; F255-Y446 HydrophobicContact CE1-CG 4.45Å; F255-Y446 AromaticContact CE1-CZ 3.56Å; F255-Y446 HydrophobicContact CZ-CD1 4.41Å; F255-Y446 AromaticContact CZ-CE1 3.7Å; F255-Y446 HydrophobicContact CZ-CE1 3.7Å; F255-Y446 HydrophobicContact CZ-CE2 4.2Å; F255-Y446 AromaticContact CZ-CZ 3.58Å; F255-W448 HydrophobicContact CD1-CH2 4.18Å; F255-W448 AromaticContact CD1-CZ2 3.75Å; F255-W448 HydrophobicContact CD1-CZ2 3.75Å; F255-W448 AromaticContact CE1-CZ2 3.9Å; F255-W448 HydrophobicContact CE1-CZ2 3.9Å; F255-L1157 HydrophobicContact CE2-CD2 3.65Å; F255-L1157 HydrophobicContact CZ-CD2 4.06Å
256	L	97.1	Very high	96.7	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.016	10%	0.099	C	C	.	.	H	α-helix	trans	-67.1	-44.8	175.2	-69.8	167.2	0	0	0	111.4	Y212 L213 K252 T253 N258 H259 I440 W448 F455	Y212-L256 VanDerWaalsContact CB-CD1 3.48Å; Y212-L256 HydrophobicContact CD1-CD1 4.23Å; Y212-L256 HydrophobicContact CD2-CD1 4.02Å; Y212-L256 HydrophobicContact CG-CD1 3.66Å; L213-L256 HydrophobicContact CD1-CB 4.49Å; L213-L256 HydrophobicContact CD2-CB 3.89Å; L213-L256 HydrophobicContact CG-CB 4.34Å; K252-L256 WeakPolarHBondContact O-CG 3.28Å; K252-L256 PolarHBondContact O-N 2.94Å; T253-L256 PolarHBondContact O-N 2.82Å; L256-N258 PolarHBondContact O-N 3.26Å; L256-H259 WeakPolarHBondContact O-CB 3.37Å; L256-H259 PolarHBondContact O-N 3.01Å; L256-H259 PolarHBondContact O-ND1 3.41Å; L256-I440 HydrophobicContact CD2-CD1 3.8Å; L256-W448 HydrophobicContact CD1-CH2 3.81Å; L256-W448 HydrophobicContact CD1-CZ3 4Å; L256-W448 HydrophobicContact CD2-CH2 4.12Å; L256-W448 HydrophobicContact CG-CH2 3.84Å; L256-F455 HydrophobicContact CD1-CE1 4.1Å; L256-F455 HydrophobicContact CD1-CZ 4.27Å; L256-F455 HydrophobicContact CD2-CZ 4.28Å
257	L	97.3	Very high	96.6	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-54.1	-37.3	173	-73.9	172.7	0	0	0	111.7	L213 T253 M254 H259 I260 L265 I279 W299	L213-L257 HydrophobicContact CD2-CD2 3.63Å; L213-L257 HydrophobicContact CD2-CG 3.66Å; T253-L257 HydrophobicContact CG2-CD1 4.19Å; T253-L257 HydrophobicContact CG2-CG 4.44Å; T253-L257 WeakPolarHBondContact O-CB 3.27Å; T253-L257 VanDerWaalsContact O-CG 3.28Å; T253-L257 WeakPolarHBondContact O-CG 3.47Å; T253-L257 PolarHBondContact O-N 3.18Å; M254-L257 HydrophobicContact CE-CD1 4.35Å; M254-L257 PolarHBondContact O-N 3.21Å; M254-L257 HydrophobicContact SD-CD1 3.97Å; L257-H259 PolarHBondContact O-N 3.4Å; L257-I260 HydrophobicContact CD2-CD1 4.42Å; L257-I260 WeakPolarHBondContact O-CA 3.45Å; L257-I260 WeakPolarHBondContact O-CB 3.21Å; L257-I260 PolarHBondContact O-N 3.25Å; L257-L265 HydrophobicContact CD2-CD2 3.8Å; L257-I279 HydrophobicContact CD1-CD1 3.74Å; L257-I279 HydrophobicContact CD1-CG1 4.08Å; L257-I279 HydrophobicContact CD1-CG2 4.25Å; L257-W299 HydrophobicContact CB-CB 3.95Å; L257-W299 HydrophobicContact CB-CD2 4.43Å; L257-W299 HydrophobicContact CB-CG 4.06Å; L257-W299 HydrophobicContact CD1-CD2 4.25Å; L257-W299 HydrophobicContact CD1-CE3 4.09Å; L257-W299 HydrophobicContact CD1-CZ3 4.42Å; L257-W299 HydrophobicContact CD2-CD2 3.9Å; L257-W299 HydrophobicContact CD2-CG 3.95Å; L257-W299 HydrophobicContact CD2-CZ2 4.45Å; L257-W299 HydrophobicContact CG-CD2 4.43Å; L257-W299 HydrophobicContact CG-CG 4.46Å; L257-W299 WeakPolarHBondContact O-CB 3.43Å
258	N	93.9	Very high	96.5	Very high	28 Å²	28	19.3 Å²	19.3	15%	0.15	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-13.7	179.8	-160.2	66.3	0	0	0	114.4	M254 F255 L256 N298 T1155	M254-N258 PolarHBondContact O-N 2.88Å; F255-N258 WeakPolarHBondContact O-CB 3.36Å; F255-N258 PolarHBondContact O-N 2.8Å; L256-N258 PolarHBondContact O-N 3.26Å; N258-N298 PolarHBondContact OD1-N 3.5Å; N258-N298 PolarHBondContact OD1-ND2 3.18Å; N258-T1155 VanDerWaalsContact O-CG2 3.24Å; N258-T1155 WeakPolarHBondContact O-CG2 3.44Å
259	H	94.1	Very high	96.6	Very high	9 Å²	9	15.4 Å²	15.4	4%	0.042	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-23.6	170.5	-61	64.5	0	0	0	112.7	F255 L256 L257 V261 A436 Y446 F1151 L1157	F255-H259 AromaticContact CE1-CE1 3.67Å; F255-H259 PolarHBondContact O-CE1 3.25Å; F255-H259 PolarHBondContact O-ND1 2.93Å; L256-H259 WeakPolarHBondContact O-CB 3.37Å; L256-H259 PolarHBondContact O-N 3.01Å; L256-H259 PolarHBondContact O-ND1 3.41Å; L257-H259 PolarHBondContact O-N 3.4Å; H259-V261 VanDerWaalsContact C-N 3.31Å; H259-V261 PolarHBondContact O-N 2.91Å; H259-A436 HydrophobicContact CB-CB 3.72Å; H259-Y446 AromaticContact CE1-CE2 3.83Å; H259-Y446 AromaticContact CE1-CZ 3.95Å; H259-Y446 PolarHBondContact CE1-OH 2.9Å; H259-Y446 AromaticContact NE2-CE2 3.42Å; H259-Y446 WeakPolarHBondContact NE2-CE2 3.48Å; H259-Y446 AromaticContact NE2-CZ 3.5Å; H259-Y446 PolarHBondContact NE2-OH 2.81Å; H259-F1151 HydrophobicContact CB-CD2 4.46Å; H259-F1151 HydrophobicContact CB-CE2 4Å; H259-F1151 AromaticContact CD2-CE2 3.51Å; H259-F1151 AromaticContact CD2-CZ 3.82Å; H259-F1151 AromaticContact CG-CE2 3.85Å; H259-L1157 WeakPolarHBondContact CE1-CD1 3.28Å
260	I	96.4	Very high	96.6	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.005	6%	0.063	C	C	.	.			trans	-84.5	75.6	-178.2	-56.6	177.7	0	0	0	109.1	L213 L257 D262 G263 S264 N406 A436	L213-I260 HydrophobicContact CD1-CD1 4.24Å; L257-I260 HydrophobicContact CD2-CD1 4.42Å; L257-I260 WeakPolarHBondContact O-CA 3.45Å; L257-I260 WeakPolarHBondContact O-CB 3.21Å; L257-I260 PolarHBondContact O-N 3.25Å; I260-D262 WeakPolarHBondContact CG2-OD1 3.49Å; I260-D262 PolarHBondContact O-N 3.3Å; I260-G263 PolarHBondContact O-N 3.11Å; I260-G263 VanDerWaalsContact O-N 3.13Å; I260-S264 WeakPolarHBondContact CG2-O 3.38Å; I260-N406 HydrophobicContact CG2-CB 4.34Å; I260-A436 HydrophobicContact CG1-CB 3.94Å
261	V	92.7	Very high	96.6	Very high	19 Å²	19	14 Å²	14	12%	0.115	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-8.4	-170.9	-66	0	0	0	0	115.9	H259 T1150 F1151 S1154 T1155	H259-V261 VanDerWaalsContact C-N 3.31Å; H259-V261 PolarHBondContact O-N 2.91Å; V261-T1150 HydrophobicContact CB-CG2 3.94Å; V261-T1150 HydrophobicContact CG2-CG2 3.94Å; V261-F1151 HydrophobicContact CG1-CB 4.44Å; V261-F1151 HydrophobicContact CG1-CD2 4.49Å; V261-S1154 WeakPolarHBondContact CG1-OG 3.27Å; V261-T1155 HydrophobicContact CG1-CG2 4.16Å
262	D	95.8	Very high	96.6	Very high	14 Å²	14	11.1 Å²	11.1	8%	0.075	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	0.3	172.2	64.8	2.4	0	0	0	113.3	I260 S264 F404 S405 N406 W407	I260-D262 WeakPolarHBondContact CG2-OD1 3.49Å; I260-D262 PolarHBondContact O-N 3.3Å; D262-S264 PolarHBondContact O-N 3.18Å; D262-S264 VanDerWaalsContact OD1-CB 3.24Å; D262-S264 WeakPolarHBondContact OD1-CB 3.4Å; D262-S264 PolarHBondContact OD1-N 2.99Å; D262-S264 PolarHBondContact OD1-OG 3.31Å; D262-S264 VanDerWaalsContact OD1-OG 3.13Å; D262-F404 HydrophobicContact CB-CD1 4.28Å; D262-F404 WeakPolarHBondContact OD2-CA 3.42Å; D262-F404 WeakPolarHBondContact OD2-CB 3.44Å; D262-S405 PolarHBondContact OD2-N 2.81Å; D262-N406 WeakPolarHBondContact OD1-CB 3.28Å; D262-N406 WeakPolarHBondContact OD2-CA 3.28Å; D262-N406 VanDerWaalsContact OD2-CB 3.26Å; D262-N406 WeakPolarHBondContact OD2-CB 3.44Å; D262-N406 PolarHBondContact OD2-N 2.94Å; D262-W407 PolarHBondContact OD2-N 3.08Å
263	G	96.8	Very high	96.6	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.042	C	C	.	.			trans	70.3	12.4	-179	0	0	0	0	0	114.9	I260 W299 H303 F306	I260-G263 PolarHBondContact O-N 3.11Å; I260-G263 VanDerWaalsContact O-N 3.13Å; G263-W299 PolarHBondContact O-NE1 3.33Å; G263-H303 PolarHBondContact O-ND1 2.9Å; G263-F306 WeakPolarHBondContact O-CB 3.45Å
264	S	98.2	Very high	96.6	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.044	C	C	.	.			trans	-70.1	170.7	-180	81.8	0	0	0	0	113.3	I260 D262 W299 N406	I260-S264 WeakPolarHBondContact CG2-O 3.38Å; D262-S264 PolarHBondContact O-N 3.18Å; D262-S264 VanDerWaalsContact OD1-CB 3.24Å; D262-S264 WeakPolarHBondContact OD1-CB 3.4Å; D262-S264 PolarHBondContact OD1-N 2.99Å; D262-S264 PolarHBondContact OD1-OG 3.31Å; D262-S264 VanDerWaalsContact OD1-OG 3.13Å; S264-W299 PolarHBondContact O-NE1 3.39Å; S264-N406 PolarHBondContact OG-ND2 2.93Å
265	L	98.1	Very high	96.6	Very high	1 Å²	1	9 Å²	9	1%	0.005	4%	0.043	C	C	.	.			trans	-134.9	141.5	154.9	-72.4	175.2	0	0	0	108.6	L257 G268 T275 W299 F306	L257-L265 HydrophobicContact CD2-CD2 3.8Å; L265-G268 PolarHBondContact O-N 3.03Å; L265-T275 HydrophobicContact CD1-CG2 3.76Å; L265-W299 HydrophobicContact CD1-CZ2 3.77Å; L265-W299 HydrophobicContact CD2-CZ2 4.24Å; L265-W299 HydrophobicContact CG-CZ2 3.92Å; L265-F306 HydrophobicContact CB-CE1 4.47Å; L265-F306 HydrophobicContact CB-CZ 4.26Å
266	D	94.4	Very high	96.7	Very high	14 Å²	14	5.8 Å²	5.8	8%	0.075	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-37.5	-172.9	57.1	-52.7	0	0	0	112.8	G268 W407	D266-G268 PolarHBondContact O-N 2.92Å; D266-W407 PolarHBondContact O-NE1 3.41Å
267	E	96.4	Very high	96.8	Very high	3 Å²	3	6.4 Å²	6.4	1%	0.014	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	5	174	-49.5	-173.2	112.8	0	0	114.6	Q214 N215 T275 H459	Q214-E267 WeakPolarHBondContact CG-OE1 3.41Å; N215-E267 PolarHBondContact N-OE2 2.87Å; N215-E267 PolarHBondContact OD1-OE1 3.31Å; E267-T275 PolarHBondContact OE2-OG1 3.3Å; E267-H459 HydrophobicContact CB-CB 4.36Å; E267-H459 HydrophobicContact CG-CB 4.5Å; E267-H459 IonicContact OE1-CD2 3.41Å; E267-H459 PolarHBondContact OE1-CD2 3.32Å
268	G	97.1	Very high	96.8	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	79	-178.6	176.9	0	0	0	0	0	114.3	L265 D266 A270 G272	L265-G268 PolarHBondContact O-N 3.03Å; D266-G268 PolarHBondContact O-N 2.92Å; G268-A270 PolarHBondContact O-N 3.26Å; G268-G272 VanDerWaalsContact O-CA 3.28Å; G268-G272 WeakPolarHBondContact O-CA 3.5Å; G268-G272 PolarHBondContact O-N 3.26Å
269	V	98.2	Very high	97	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-72.2	-31.2	-166	-172.1	0	0	0	0	112.5	S273 F306 T310 T318 V319 W407	V269-S273 PolarHBondContact O-N 2.8Å; V269-S273 VanDerWaalsContact O-N 3.08Å; V269-F306 HydrophobicContact CB-CE1 4.49Å; V269-F306 HydrophobicContact CB-CZ 4.46Å; V269-F306 HydrophobicContact CG2-CE1 4.42Å; V269-F306 HydrophobicContact CG2-CE2 4.32Å; V269-F306 HydrophobicContact CG2-CZ 4.06Å; V269-T310 HydrophobicContact CG2-CG2 3.78Å; V269-T310 WeakPolarHBondContact CG2-OG1 3.45Å; V269-T318 HydrophobicContact CB-CG2 4.42Å; V269-T318 HydrophobicContact CG1-CG2 3.72Å; V269-V319 HydrophobicContact CG2-CG1 3.91Å; V269-W407 HydrophobicContact CG2-CH2 4.16Å
270	A	96.4	Very high	97.3	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-73.2	-56.6	179.1	0	0	0	0	0	111.9	G268 G272 S273 Y274 S324 F329	G268-A270 PolarHBondContact O-N 3.26Å; A270-G272 VanDerWaalsContact C-N 3.31Å; A270-G272 PolarHBondContact O-N 2.88Å; A270-S273 WeakPolarHBondContact O-CB 3.23Å; A270-S273 PolarHBondContact O-N 2.86Å; A270-S273 VanDerWaalsContact O-N 3.12Å; A270-S273 PolarHBondContact O-OG 2.99Å; A270-Y274 PolarHBondContact O-N 3.09Å; A270-S324 WeakPolarHBondContact CB-OG 3.42Å; A270-F329 HydrophobicContact CB-CD2 3.57Å; A270-F329 HydrophobicContact CB-CE2 3.49Å; A270-F329 VanDerWaalsContact CB-CE2 3.49Å; A270-F329 HydrophobicContact CB-CG 4.2Å; A270-F329 HydrophobicContact CB-CZ 4.1Å; A270-F329 WeakPolarHBondContact O-CD2 3.3Å
271	Y	97.6	Very high	97.4	Very high	17 Å²	17	5.1 Å²	5.1	7%	0.067	3%	0.025	C	C	.	.	H	α-helix	trans	-67.6	-32.1	174.7	-83.1	-66.7	0	0	0	112.5	N215 S273 Y274 T275 D323 F329 H459 Y482	N215-Y271 HydrophobicContact CB-CD1 4.1Å; N215-Y271 VanDerWaalsContact ND2-CD1 3.28Å; N215-Y271 WeakPolarHBondContact ND2-CD1 3.43Å; N215-Y271 WeakPolarHBondContact ND2-CE1 3.46Å; Y271-S273 PolarHBondContact O-N 2.93Å; Y271-Y274 AromaticContact CD1-CD1 3.84Å; Y271-Y274 HydrophobicContact CD1-CD1 3.84Å; Y271-Y274 HydrophobicContact CD1-CG 4.4Å; Y271-Y274 AromaticContact CE1-CD1 3.87Å; Y271-Y274 HydrophobicContact CE1-CD1 3.87Å; Y271-Y274 HydrophobicContact CE1-CE1 4.29Å; Y271-Y274 CarbonylContact O-C 3.58Å; Y271-Y274 VanDerWaalsContact O-CA 3.31Å; Y271-Y274 WeakPolarHBondContact O-CA 3.32Å; Y271-Y274 WeakPolarHBondContact O-CB 3.28Å; Y271-Y274 PolarHBondContact O-N 2.77Å; Y271-T275 PolarHBondContact O-N 3.29Å; Y271-T275 PolarHBondContact O-OG1 2.95Å; Y271-D323 HydrophobicContact CD2-CB 4.14Å; Y271-D323 WeakPolarHBondContact CD2-O 3.36Å; Y271-D323 HydrophobicContact CE2-CB 3.81Å; Y271-D323 VanDerWaalsContact CE2-O 3.32Å; Y271-D323 WeakPolarHBondContact CE2-O 3.34Å; Y271-F329 HydrophobicContact CD1-CD2 4.17Å; Y271-F329 HydrophobicContact CD1-CE2 4.01Å; Y271-F329 AromaticContact CD2-CE2 3.73Å; Y271-F329 HydrophobicContact CD2-CE2 3.73Å; Y271-F329 HydrophobicContact CE1-CD2 4.3Å; Y271-F329 AromaticContact CE1-CE2 3.93Å; Y271-F329 HydrophobicContact CE1-CE2 3.93Å; Y271-F329 AromaticContact CE2-CE2 3.64Å; Y271-F329 HydrophobicContact CE2-CE2 3.64Å; Y271-F329 HydrophobicContact CE2-CZ 4.18Å; Y271-F329 HydrophobicContact CG-CD2 4.29Å; Y271-F329 AromaticContact CG-CE2 3.91Å; Y271-F329 HydrophobicContact CG-CE2 3.91Å; Y271-F329 AromaticContact CZ-CE2 3.75Å; Y271-H459 HydrophobicContact CD2-CB 4.41Å; Y271-H459 AromaticContact CD2-CG 3.92Å; Y271-H459 AromaticContact CD2-ND1 3.91Å; Y271-H459 AromaticContact CE1-NE2 3.96Å; Y271-H459 AromaticContact CE2-CE1 3.3Å; Y271-H459 WeakPolarHBondContact CE2-CE1 3.28Å; Y271-H459 AromaticContact CE2-CG 3.89Å; Y271-H459 AromaticContact CE2-ND1 3.41Å; Y271-H459 WeakPolarHBondContact CE2-ND1 3.41Å; Y271-H459 AromaticContact CE2-NE2 3.76Å; Y271-H459 AromaticContact CZ-CE1 3.36Å; Y271-H459 AromaticContact CZ-ND1 3.97Å; Y271-H459 AromaticContact CZ-NE2 3.61Å; Y271-H459 PolarHBondContact OH-CE1 2.85Å; Y271-Y482 HydrophobicContact CE2-CD2 4.36Å; Y271-Y482 HydrophobicContact CE2-CE2 4.19Å
272	G	97.6	Very high	97.7	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-57.2	-34.7	169.3	0	0	0	0	0	113.2	G268 A270 Y274 A276	G268-G272 VanDerWaalsContact O-CA 3.28Å; G268-G272 WeakPolarHBondContact O-CA 3.5Å; G268-G272 PolarHBondContact O-N 3.26Å; A270-G272 VanDerWaalsContact C-N 3.31Å; A270-G272 PolarHBondContact O-N 2.88Å; G272-Y274 VanDerWaalsContact C-N 3.33Å; G272-A276 WeakPolarHBondContact O-CB 3.47Å; G272-A276 PolarHBondContact O-N 2.71Å
273	S	98.4	Very high	97.8	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-67.4	-31	170.7	80.5	0	0	0	0	113.6	V269 A270 Y271 K277 F329 Y330 Q335	V269-S273 PolarHBondContact O-N 2.8Å; V269-S273 VanDerWaalsContact O-N 3.08Å; A270-S273 WeakPolarHBondContact O-CB 3.23Å; A270-S273 PolarHBondContact O-N 2.86Å; A270-S273 VanDerWaalsContact O-N 3.12Å; A270-S273 PolarHBondContact O-OG 2.99Å; Y271-S273 PolarHBondContact O-N 2.93Å; S273-K277 VanDerWaalsContact O-CB 3.31Å; S273-K277 WeakPolarHBondContact O-CB 3.04Å; S273-K277 PolarHBondContact O-N 3.38Å; S273-F329 PolarHBondContact OG-N 2.67Å; S273-F329 VanDerWaalsContact OG-N 3.08Å; S273-Y330 WeakPolarHBondContact CB-O 3.42Å; S273-Y330 PolarHBondContact OG-N 2.87Å; S273-Y330 VanDerWaalsContact OG-N 3.09Å; S273-Q335 PolarHBondContact O-NE2 3.2Å
274	Y	97.8	Very high	97.9	Very high	10 Å²	10	5 Å²	5	4%	0.039	2%	0.023	C	C	.	.	H	α-helix	trans	-70	-49.8	176.3	-154.5	144.5	0	0	0	110.7	V160 H164 N215 T219 A270 Y271 G272 K277 S278 F329 Y330	V160-Y274 WeakPolarHBondContact CG1-OH 3.49Å; H164-Y274 AromaticContact NE2-CE2 3.54Å; H164-Y274 AromaticContact NE2-CZ 3.78Å; H164-Y274 PolarHBondContact NE2-OH 2.79Å; N215-Y274 HydrophobicContact CB-CG 4.4Å; T219-Y274 HydrophobicContact CG2-CE2 4.17Å; T219-Y274 WeakPolarHBondContact OG1-CE2 3.32Å; A270-Y274 PolarHBondContact O-N 3.09Å; Y271-Y274 AromaticContact CD1-CD1 3.84Å; Y271-Y274 HydrophobicContact CD1-CD1 3.84Å; Y271-Y274 HydrophobicContact CD1-CG 4.4Å; Y271-Y274 AromaticContact CE1-CD1 3.87Å; Y271-Y274 HydrophobicContact CE1-CD1 3.87Å; Y271-Y274 HydrophobicContact CE1-CE1 4.29Å; Y271-Y274 CarbonylContact O-C 3.58Å; Y271-Y274 VanDerWaalsContact O-CA 3.31Å; Y271-Y274 WeakPolarHBondContact O-CA 3.32Å; Y271-Y274 WeakPolarHBondContact O-CB 3.28Å; Y271-Y274 PolarHBondContact O-N 2.77Å; G272-Y274 VanDerWaalsContact C-N 3.33Å; Y274-K277 WeakPolarHBondContact O-CB 3.49Å; Y274-K277 PolarHBondContact O-N 3.05Å; Y274-S278 PolarHBondContact O-N 3.4Å; Y274-F329 HydrophobicContact CD1-CD2 4.39Å; Y274-Y330 AromaticContact CD1-CD2 3.86Å; Y274-Y330 HydrophobicContact CD1-CD2 3.86Å; Y274-Y330 AromaticContact CD1-CE2 3.55Å; Y274-Y330 HydrophobicContact CD1-CE2 3.55Å; Y274-Y330 HydrophobicContact CD2-CD2 4.08Å; Y274-Y330 AromaticContact CD2-CE2 3.98Å; Y274-Y330 HydrophobicContact CD2-CE2 3.98Å; Y274-Y330 HydrophobicContact CE1-CD2 4.32Å; Y274-Y330 AromaticContact CE1-CE2 3.54Å; Y274-Y330 HydrophobicContact CE1-CE2 3.54Å; Y274-Y330 AromaticContact CE2-CE2 3.97Å; Y274-Y330 HydrophobicContact CE2-CE2 3.97Å; Y274-Y330 AromaticContact CG-CD2 3.69Å; Y274-Y330 HydrophobicContact CG-CD2 3.69Å; Y274-Y330 AromaticContact CG-CE2 3.74Å; Y274-Y330 HydrophobicContact CG-CE2 3.74Å; Y274-Y330 AromaticContact CZ-CE2 3.72Å
275	T	98.4	Very high	97.9	Very high	1 Å²	1	5 Å²	5	1%	0.006	2%	0.023	C	C	.	.	H	α-helix	trans	-63.9	-46.8	176	-62.1	0	0	0	0	110.6	L213 N215 T218 L265 E267 Y271 K277 S278 I279	L213-T275 VanDerWaalsContact O-CG2 3.26Å; L213-T275 WeakPolarHBondContact O-CG2 3.49Å; N215-T275 VanDerWaalsContact CA-OG1 3.29Å; N215-T275 WeakPolarHBondContact CA-OG1 3.43Å; N215-T275 WeakPolarHBondContact CB-OG1 3.47Å; T218-T275 HydrophobicContact CG2-CG2 4Å; L265-T275 HydrophobicContact CD1-CG2 3.76Å; E267-T275 PolarHBondContact OE2-OG1 3.3Å; Y271-T275 PolarHBondContact O-N 3.29Å; Y271-T275 PolarHBondContact O-OG1 2.95Å; T275-K277 PolarHBondContact O-N 3.18Å; T275-S278 PolarHBondContact O-N 2.97Å; T275-I279 HydrophobicContact CG2-CG1 4.25Å; T275-I279 WeakPolarHBondContact O-CG1 3.45Å; T275-I279 PolarHBondContact O-N 2.86Å
276	A	98.3	Very high	97.9	Very high	0 Å²	0	5 Å²	5	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-62.7	-36	177.9	0	0	0	0	0	113.7	G272 S278 I279 T280 W299 H303 Y307 Q335	G272-A276 WeakPolarHBondContact O-CB 3.47Å; G272-A276 PolarHBondContact O-N 2.71Å; A276-S278 PolarHBondContact O-N 3.18Å; A276-I279 PolarHBondContact O-N 2.73Å; A276-T280 WeakPolarHBondContact O-CG2 3.25Å; A276-T280 PolarHBondContact O-N 2.97Å; A276-T280 PolarHBondContact O-OG1 2.67Å; A276-T280 VanDerWaalsContact O-OG1 3.07Å; A276-W299 HydrophobicContact CB-CH2 4.05Å; A276-H303 VanDerWaalsContact CB-NE2 3.32Å; A276-H303 WeakPolarHBondContact CB-NE2 3.34Å; A276-Y307 VanDerWaalsContact CB-OH 3.22Å; A276-Y307 WeakPolarHBondContact CB-OH 3.39Å; A276-Q335 HydrophobicContact CB-CG 4.21Å
277	K	98.1	Very high	98.1	Very high	16 Å²	16	6.8 Å²	6.8	7%	0.07	3%	0.031	C	C	.	.	H	α-helix	trans	-53	-39.8	170.6	169.5	-141.6	72.1	-175.3	0	111.1	H164 S273 Y274 T275 Q281 Y330 T376	H164-K277 PolarHBondContact CE1-NZ 2.98Å; H164-K277 PolarHBondContact NE2-NZ 3.29Å; S273-K277 VanDerWaalsContact O-CB 3.31Å; S273-K277 WeakPolarHBondContact O-CB 3.04Å; S273-K277 PolarHBondContact O-N 3.38Å; Y274-K277 WeakPolarHBondContact O-CB 3.49Å; Y274-K277 PolarHBondContact O-N 3.05Å; T275-K277 PolarHBondContact O-N 3.18Å; K277-Q281 WeakPolarHBondContact O-CG 3.41Å; K277-Q281 PolarHBondContact O-NE2 2.9Å; K277-Y330 HydrophobicContact CD-CD1 3.72Å; K277-Y330 HydrophobicContact CD-CD2 4.38Å; K277-Y330 HydrophobicContact CD-CE1 4.24Å; K277-Y330 HydrophobicContact CD-CG 3.81Å; K277-Y330 HydrophobicContact CG-CG 4.49Å; K277-T376 HydrophobicContact CG-CG2 3.94Å
278	S	98.6	Very high	98.1	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.007	4%	0.044	C	C	.	.	H	α-helix	trans	-82.2	-38.9	-179.4	-56.6	0	0	0	0	112.2	T218 T219 Y274 T275 A276 Q281 Y282	T218-S278 WeakPolarHBondContact O-CB 3.33Å; T219-S278 PolarHBondContact OG1-OG 3.36Å; Y274-S278 PolarHBondContact O-N 3.4Å; T275-S278 PolarHBondContact O-N 2.97Å; A276-S278 PolarHBondContact O-N 3.18Å; S278-Q281 PolarHBondContact O-N 3.11Å; S278-Y282 PolarHBondContact O-N 3.46Å
279	I	98.6	Very high	98.1	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-63.7	-44.9	177	-65.5	-67.5	0	0	0	112.3	T218 M250 T253 M254 L257 T275 A276 Q281 Y282 V283 W299	T218-I279 HydrophobicContact CG2-CD1 3.91Å; T218-I279 HydrophobicContact CG2-CG1 4.37Å; M250-I279 HydrophobicContact CE-CD1 3.82Å; T253-I279 HydrophobicContact CG2-CD1 3.81Å; M254-I279 HydrophobicContact CE-CG2 4.33Å; M254-I279 HydrophobicContact SD-CD1 4.12Å; M254-I279 HydrophobicContact SD-CG2 3.75Å; L257-I279 HydrophobicContact CD1-CD1 3.74Å; L257-I279 HydrophobicContact CD1-CG1 4.08Å; L257-I279 HydrophobicContact CD1-CG2 4.25Å; T275-I279 HydrophobicContact CG2-CG1 4.25Å; T275-I279 WeakPolarHBondContact O-CG1 3.45Å; T275-I279 PolarHBondContact O-N 2.86Å; A276-I279 PolarHBondContact O-N 2.73Å; I279-Q281 PolarHBondContact O-N 3.49Å; I279-Y282 PolarHBondContact O-N 2.94Å; I279-V283 HydrophobicContact CG2-CG2 4.31Å; I279-V283 WeakPolarHBondContact O-CG2 3.27Å; I279-V283 PolarHBondContact O-N 3.34Å; I279-W299 HydrophobicContact CB-CH2 4.48Å; I279-W299 HydrophobicContact CB-CZ3 4.31Å; I279-W299 HydrophobicContact CG2-CE3 4.42Å; I279-W299 HydrophobicContact CG2-CH2 4.29Å; I279-W299 HydrophobicContact CG2-CZ3 3.65Å
280	T	98.6	Very high	98.1	Very high	2 Å²	2	16 Å²	16	1%	0.012	7%	0.069	C	C	.	.	H	α-helix	trans	-66.7	-37	-179.7	55.8	0	0	0	0	112.4	A276 F284 Q335 F338 W383	A276-T280 WeakPolarHBondContact O-CG2 3.25Å; A276-T280 PolarHBondContact O-N 2.97Å; A276-T280 PolarHBondContact O-OG1 2.67Å; A276-T280 VanDerWaalsContact O-OG1 3.07Å; T280-F284 WeakPolarHBondContact O-CB 3.47Å; T280-F284 PolarHBondContact O-N 3.34Å; T280-F284 VanDerWaalsContact O-N 3.09Å; T280-Q335 HydrophobicContact CG2-CB 4.5Å; T280-Q335 HydrophobicContact CG2-CG 4.45Å; T280-F338 HydrophobicContact CG2-CB 4.22Å; T280-F338 HydrophobicContact CG2-CD1 3.42Å; T280-F338 VanDerWaalsContact CG2-CD1 3.42Å; T280-F338 HydrophobicContact CG2-CD2 4.41Å; T280-F338 HydrophobicContact CG2-CE1 3.86Å; T280-F338 HydrophobicContact CG2-CG 3.76Å; T280-F338 WeakPolarHBondContact O-CE2 3.23Å; T280-W383 WeakPolarHBondContact OG1-CH2 3.18Å; T280-W383 WeakPolarHBondContact OG1-CZ3 3.26Å
281	Q	98.8	Very high	98.1	Very high	9 Å²	9	22.2 Å²	22.2	4%	0.042	10%	0.103	C	C	.	.	H	α-helix	trans	-62.8	-45.8	171.2	-77.1	176.6	88.8	0	0	111.2	Y58 L222 K277 S278 I279 F284 L285 T379 W383	Y58-Q281 WeakPolarHBondContact OH-CG 3.23Å; Y58-Q281 PolarHBondContact OH-OE1 2.97Å; L222-Q281 HydrophobicContact CD1-CB 4.09Å; L222-Q281 HydrophobicContact CD2-CB 3.6Å; L222-Q281 HydrophobicContact CD2-CG 4.32Å; K277-Q281 WeakPolarHBondContact O-CG 3.41Å; K277-Q281 PolarHBondContact O-NE2 2.9Å; S278-Q281 PolarHBondContact O-N 3.11Å; I279-Q281 PolarHBondContact O-N 3.49Å; Q281-F284 PolarHBondContact O-N 3.16Å; Q281-L285 WeakPolarHBondContact O-CB 3.42Å; Q281-L285 VanDerWaalsContact O-CG 3.3Å; Q281-L285 WeakPolarHBondContact O-CG 3.37Å; Q281-L285 PolarHBondContact O-N 3.41Å; Q281-T379 HydrophobicContact CG-CG2 4.1Å; Q281-W383 HydrophobicContact CB-CH2 4.41Å; Q281-W383 HydrophobicContact CG-CH2 3.74Å; Q281-W383 HydrophobicContact CG-CZ2 4.18Å
282	Y	98.8	Very high	98.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-58.6	-51.6	176	172.2	-103.3	0	0	0	112.1	L225 V247 M250 E251 M254 S278 I279 F284 L285 A286	L225-Y282 HydrophobicContact CD2-CD2 3.69Å; L225-Y282 HydrophobicContact CD2-CE2 3.95Å; V247-Y282 HydrophobicContact CG2-CE2 4.42Å; M250-Y282 HydrophobicContact CB-CD1 3.71Å; M250-Y282 HydrophobicContact CB-CD2 3.54Å; M250-Y282 HydrophobicContact CB-CE1 3.56Å; M250-Y282 HydrophobicContact CB-CE2 3.39Å; M250-Y282 HydrophobicContact CB-CG 3.71Å; M250-Y282 VanDerWaalsContact CB-CZ 3.41Å; M250-Y282 HydrophobicContact CE-CD1 4.27Å; M250-Y282 HydrophobicContact CE-CD2 4.43Å; M250-Y282 HydrophobicContact CE-CG 3.84Å; M250-Y282 HydrophobicContact CG-CD1 4.43Å; M250-Y282 HydrophobicContact CG-CD2 3.68Å; M250-Y282 HydrophobicContact CG-CE2 3.94Å; M250-Y282 HydrophobicContact CG-CG 3.96Å; E251-Y282 WeakPolarHBondContact CG-OH 3.46Å; E251-Y282 WeakPolarHBondContact OE1-CE1 3.18Å; E251-Y282 PolarHBondContact OE1-OH 3.41Å; M254-Y282 HydrophobicContact CG-CD1 4.25Å; M254-Y282 HydrophobicContact CG-CE1 3.98Å; M254-Y282 HydrophobicContact SD-CD1 4.44Å; S278-Y282 PolarHBondContact O-N 3.46Å; I279-Y282 PolarHBondContact O-N 2.94Å; Y282-F284 VanDerWaalsContact C-N 3.27Å; Y282-F284 PolarHBondContact O-N 2.89Å; Y282-L285 PolarHBondContact O-N 2.92Å; Y282-L285 VanDerWaalsContact O-N 3.16Å; Y282-A286 HydrophobicContact CD2-CB 4.43Å; Y282-A286 HydrophobicContact CE1-CB 4.06Å; Y282-A286 HydrophobicContact CE2-CB 3.89Å; Y282-A286 WeakPolarHBondContact O-CB 3.29Å; Y282-A286 PolarHBondContact O-N 3.39Å
283	V	98.8	Very high	98.1	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	13%	0.133	C	C	.	.	H	α-helix	trans	-60.8	-37.8	-178.2	173.7	0	0	0	0	111.5	M254 I279 Q287 N294 L300 F338	M254-V283 HydrophobicContact CE-CG2 3.97Å; M254-V283 HydrophobicContact SD-CG2 3.94Å; I279-V283 HydrophobicContact CG2-CG2 4.31Å; I279-V283 WeakPolarHBondContact O-CG2 3.27Å; I279-V283 PolarHBondContact O-N 3.34Å; V283-Q287 PolarHBondContact O-N 3.17Å; V283-N294 HydrophobicContact CB-CB 4.44Å; V283-N294 HydrophobicContact CG1-CB 3.85Å; V283-N294 HydrophobicContact CG2-CB 3.86Å; V283-L300 HydrophobicContact CG1-CD1 4.35Å; V283-L300 HydrophobicContact CG2-CD1 4.29Å; V283-F338 HydrophobicContact CB-CZ 3.95Å; V283-F338 HydrophobicContact CG1-CZ 3.79Å
284	F	98.7	Very high	98	Very high	31 Å²	31	28.7 Å²	28.7	14%	0.136	14%	0.138	C	C	.	.	H	α-helix	trans	-63.9	-50.9	173.5	-173.7	-88.2	0	0	0	112.3	Y58 T280 Q281 Y282 A286 R288 F338 F342 W383	Y58-F284 AromaticContact CD1-CD1 3.8Å; Y58-F284 HydrophobicContact CD1-CD1 3.8Å; Y58-F284 AromaticContact CD1-CE1 3.8Å; Y58-F284 HydrophobicContact CD1-CE1 3.8Å; Y58-F284 HydrophobicContact CE1-CD1 4.17Å; Y58-F284 WeakPolarHBondContact O-CE1 3.31Å; Y58-F284 WeakPolarHBondContact O-CZ 3.45Å; T280-F284 WeakPolarHBondContact O-CB 3.47Å; T280-F284 PolarHBondContact O-N 3.34Å; T280-F284 VanDerWaalsContact O-N 3.09Å; Q281-F284 PolarHBondContact O-N 3.16Å; Y282-F284 VanDerWaalsContact C-N 3.27Å; Y282-F284 PolarHBondContact O-N 2.89Å; F284-A286 PolarHBondContact O-N 3.35Å; F284-R288 HydrophobicContact CE1-CB 4.45Å; F284-R288 WeakPolarHBondContact O-CB 3.42Å; F284-R288 PolarHBondContact O-N 2.96Å; F284-F338 HydrophobicContact CB-CE2 4.15Å; F284-F342 HydrophobicContact CD2-CE1 4.42Å; F284-F342 HydrophobicContact CD2-CE2 4.07Å; F284-F342 AromaticContact CD2-CZ 3.78Å; F284-F342 HydrophobicContact CD2-CZ 3.78Å; F284-F342 HydrophobicContact CE2-CE1 4.37Å; F284-F342 HydrophobicContact CE2-CE2 4.4Å; F284-F342 AromaticContact CE2-CZ 3.74Å; F284-F342 HydrophobicContact CE2-CZ 3.74Å; F284-W383 HydrophobicContact CB-CZ2 3.92Å; F284-W383 AromaticContact CD2-CD1 3.77Å; F284-W383 AromaticContact CD2-NE1 3.18Å; F284-W383 AromaticContact CE2-CD1 3.84Å; F284-W383 AromaticContact CE2-NE1 3.59Å; F284-W383 HydrophobicContact CG-CZ2 4.27Å; F284-W383 AromaticContact CG-NE1 3.45Å
285	L	98.7	Very high	97.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-67.4	-35.5	-178.1	-68.4	171.7	0	0	0	112	L57 Y58 L222 I229 Q281 Y282 R288 H289	L57-L285 HydrophobicContact CD2-CD2 4.42Å; L57-L285 WeakPolarHBondContact O-CD2 3.39Å; Y58-L285 HydrophobicContact CE1-CD2 4.47Å; L222-L285 HydrophobicContact CD1-CD1 4.01Å; I229-L285 HydrophobicContact CD1-CB 4.47Å; Q281-L285 WeakPolarHBondContact O-CB 3.42Å; Q281-L285 VanDerWaalsContact O-CG 3.3Å; Q281-L285 WeakPolarHBondContact O-CG 3.37Å; Q281-L285 PolarHBondContact O-N 3.41Å; Y282-L285 PolarHBondContact O-N 2.92Å; Y282-L285 VanDerWaalsContact O-N 3.16Å; L285-R288 PolarHBondContact O-N 3.33Å; L285-H289 WeakPolarHBondContact O-CB 3.37Å; L285-H289 PolarHBondContact O-CD2 3.07Å; L285-H289 PolarHBondContact O-N 3.35Å
286	A	98.5	Very high	97.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.8	-43.8	179.1	0	0	0	0	0	111.9	Y282 F284 F290 N291 I292	Y282-A286 HydrophobicContact CD2-CB 4.43Å; Y282-A286 HydrophobicContact CE1-CB 4.06Å; Y282-A286 HydrophobicContact CE2-CB 3.89Å; Y282-A286 WeakPolarHBondContact O-CB 3.29Å; Y282-A286 PolarHBondContact O-N 3.39Å; F284-A286 PolarHBondContact O-N 3.35Å; A286-F290 CarbonylContact O-C 3.35Å; A286-F290 WeakPolarHBondContact O-CA 3.34Å; A286-F290 PolarHBondContact O-N 2.78Å; A286-F290 VanDerWaalsContact O-N 3.09Å; A286-N291 PolarHBondContact O-N 3.06Å; A286-N291 VanDerWaalsContact O-N 3.09Å; A286-I292 CarbonylContact C-O 3.51Å; A286-I292 HydrophobicContact CB-CB 4.14Å; A286-I292 PolarHBondContact O-N 2.78Å; A286-I292 VanDerWaalsContact O-N 3.09Å
287	Q	98	Very high	97	Very high	52 Å²	52	36.1 Å²	36.1	24%	0.243	17%	0.174	C	C	.	.	H	α-helix	trans	-67.1	-41.7	172.2	178.7	55.4	69.5	0	0	111.8	V283 N291 I292 D293 M295	V283-Q287 PolarHBondContact O-N 3.17Å; Q287-N291 PolarHBondContact NE2-OD1 2.91Å; Q287-N291 WeakPolarHBondContact O-CA 3.46Å; Q287-N291 PolarHBondContact O-N 3.45Å; Q287-I292 WeakPolarHBondContact CA-O 3.37Å; Q287-I292 PolarHBondContact N-O 2.66Å; Q287-D293 VanDerWaalsContact OE1-CB 3.31Å; Q287-M295 HydrophobicContact CG-CE 4.2Å
288	R	96.8	Very high	96.7	Very high	77 Å²	77	36.2 Å²	36.2	29%	0.291	18%	0.175	S	C	.	.	H	α-helix	trans	-70.1	-43.9	-176.4	178.9	173.6	163.2	79.8	15.3	113.6	N56 L57 N60 F284 L285	N56-R288 VanDerWaalsContact O-CZ 3.24Å; N56-R288 PolarHBondContact O-NE 2.94Å; N56-R288 PolarHBondContact O-NH2 2.83Å; N56-R288 PolarHBondContact OD1-NH2 2.9Å; N56-R288 VanDerWaalsContact OD1-NH2 3.07Å; L57-R288 VanDerWaalsContact O-CD 3.3Å; L57-R288 WeakPolarHBondContact O-CD 3.44Å; L57-R288 PolarHBondContact O-NE 2.67Å; N60-R288 PolarHBondContact OD1-NH2 3.42Å; F284-R288 HydrophobicContact CE1-CB 4.45Å; F284-R288 WeakPolarHBondContact O-CB 3.42Å; F284-R288 PolarHBondContact O-N 2.96Å; L285-R288 PolarHBondContact O-N 3.33Å
289	H	97.2	Very high	96.6	Very high	49 Å²	49	36.1 Å²	36.1	23%	0.227	17%	0.174	C	C	.	.	H	α-helix	trans	-102.9	-22	-170.2	-66.6	-80.8	0	0	0	114.3	N56 L57 I229 L285	N56-H289 PolarHBondContact O-CE1 3.19Å; N56-H289 PolarHBondContact O-NE2 2.94Å; L57-H289 PolarHBondContact O-NE2 2.84Å; I229-H289 HydrophobicContact CD1-CB 4.46Å; L285-H289 WeakPolarHBondContact O-CB 3.37Å; L285-H289 PolarHBondContact O-CD2 3.07Å; L285-H289 PolarHBondContact O-N 3.35Å
290	F	97.3	Very high	96.5	Very high	70 Å²	70	36.1 Å²	36.1	31%	0.307	17%	0.174	S	C	.	.	H	α-helix	trans	-127.1	-1	-177.1	-45.3	-58.8	0	0	0	114.1	L225 I229 K243 V247 A286 I292	L225-F290 HydrophobicContact CD1-CE2 3.91Å; L225-F290 HydrophobicContact CD1-CZ 4.01Å; I229-F290 HydrophobicContact CD1-CE2 4.45Å; I229-F290 HydrophobicContact CD1-CZ 4.26Å; I229-F290 HydrophobicContact CG1-CZ 4.22Å; K243-F290 HydrophobicContact CB-CE1 4.4Å; K243-F290 HydrophobicContact CB-CZ 4.21Å; K243-F290 HydrophobicContact CD-CE1 4.3Å; K243-F290 HydrophobicContact CD-CZ 4.46Å; K243-F290 HydrophobicContact CG-CE1 4.37Å; K243-F290 HydrophobicContact CG-CZ 4.08Å; V247-F290 HydrophobicContact CG2-CD2 3.67Å; V247-F290 HydrophobicContact CG2-CE2 3.63Å; V247-F290 HydrophobicContact CG2-CG 4.46Å; V247-F290 HydrophobicContact CG2-CZ 4.35Å; A286-F290 CarbonylContact O-C 3.35Å; A286-F290 WeakPolarHBondContact O-CA 3.34Å; A286-F290 PolarHBondContact O-N 2.78Å; A286-F290 VanDerWaalsContact O-N 3.09Å; F290-I292 VanDerWaalsContact C-N 3.28Å; F290-I292 HydrophobicContact CB-CD1 3.83Å; F290-I292 HydrophobicContact CB-CG1 3.96Å; F290-I292 PolarHBondContact O-N 3.08Å
291	N	97.4	Very high	96.3	Very high	131 Å²	131	42.3 Å²	42.3	70%	0.701	20%	0.197	S	C	*	.			trans	54.6	40.3	-175.1	-168.2	67	0	0	0	113.6	A286 Q287	A286-N291 PolarHBondContact O-N 3.06Å; A286-N291 VanDerWaalsContact O-N 3.09Å; Q287-N291 PolarHBondContact NE2-OD1 2.91Å; Q287-N291 WeakPolarHBondContact O-CA 3.46Å; Q287-N291 PolarHBondContact O-N 3.45Å
292	I	98	Very high	96	Very high	41 Å²	41	42.4 Å²	42.4	21%	0.21	20%	0.201	C	C	.	.			trans	-98.9	106.5	175.3	-61.5	172.7	0	0	0	108.6	V247 E251 A286 Q287 F290	V247-I292 HydrophobicContact CG1-CD1 3.61Å; E251-I292 WeakPolarHBondContact OE2-CG2 3.47Å; A286-I292 CarbonylContact C-O 3.51Å; A286-I292 HydrophobicContact CB-CB 4.14Å; A286-I292 PolarHBondContact O-N 2.78Å; A286-I292 VanDerWaalsContact O-N 3.09Å; Q287-I292 WeakPolarHBondContact CA-O 3.37Å; Q287-I292 PolarHBondContact N-O 2.66Å; F290-I292 VanDerWaalsContact C-N 3.28Å; F290-I292 HydrophobicContact CB-CD1 3.83Å; F290-I292 HydrophobicContact CB-CG1 3.96Å; F290-I292 PolarHBondContact O-N 3.08Å
293	D	95.8	Very high	96	Very high	94 Å²	94	42.5 Å²	42.5	50%	0.503	20%	0.201	S	C	.	.			trans	-85.9	115.6	177.7	-172.9	7.4	0	0	0	111.4	Q287 M295	Q287-D293 VanDerWaalsContact OE1-CB 3.31Å; D293-M295 VanDerWaalsContact OD1-CB 3.26Å; D293-M295 WeakPolarHBondContact OD1-CB 3.44Å; D293-M295 VanDerWaalsContact OD1-CG 3.27Å; D293-M295 WeakPolarHBondContact OD1-CG 3.46Å; D293-M295 PolarHBondContact OD1-N 2.82Å
294	N	96.4	Very high	96	Very high	18 Å²	18	42.8 Å²	42.8	10%	0.096	20%	0.202	C	C	.	.			trans	-109.6	1.6	172.6	-97	-77	0	0	0	113.2	E251 M254 V283 Q296 N297 L300	E251-N294 PolarHBondContact OE1-ND2 2.79Å; M254-N294 WeakPolarHBondContact CB-OD1 3.28Å; M254-N294 HydrophobicContact CE-CB 4.21Å; V283-N294 HydrophobicContact CB-CB 4.44Å; V283-N294 HydrophobicContact CG1-CB 3.85Å; V283-N294 HydrophobicContact CG2-CB 3.86Å; N294-Q296 PolarHBondContact O-N 2.87Å; N294-N297 VanDerWaalsContact O-CB 3.23Å; N294-N297 WeakPolarHBondContact O-CB 3.28Å; N294-N297 PolarHBondContact O-N 2.93Å; N294-L300 WeakPolarHBondContact O-CD1 3.23Å
295	M	92.8	Very high	95.9	Very high	29 Å²	29	46.1 Å²	46.1	14%	0.143	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-16	-170.8	-61.4	-176.5	-167.5	0	0	114.4	Q287 D293 F342	Q287-M295 HydrophobicContact CG-CE 4.2Å; D293-M295 VanDerWaalsContact OD1-CB 3.26Å; D293-M295 WeakPolarHBondContact OD1-CB 3.44Å; D293-M295 VanDerWaalsContact OD1-CG 3.27Å; D293-M295 WeakPolarHBondContact OD1-CG 3.46Å; D293-M295 PolarHBondContact OD1-N 2.82Å; M295-F342 HydrophobicContact CE-CB 4.21Å; M295-F342 HydrophobicContact CE-CD1 3.65Å; M295-F342 HydrophobicContact CE-CE1 4.46Å; M295-F342 HydrophobicContact CE-CG 4.2Å; M295-F342 HydrophobicContact CG-CB 4.34Å; M295-F342 HydrophobicContact SD-CB 3.85Å; M295-F342 HydrophobicContact SD-CD1 4.13Å; M295-F342 HydrophobicContact SD-CG 4.42Å
296	Q	89.3	Confident	95.9	Very high	126 Å²	126	46.1 Å²	46.1	59%	0.589	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-1.9	176.3	-60.2	-53	-54	0	0	114.5	N294 N298	N294-Q296 PolarHBondContact O-N 2.87Å; Q296-N298 PolarHBondContact O-N 2.89Å
297	N	93.1	Very high	95.9	Very high	12 Å²	12	46.1 Å²	46.1	6%	0.064	21%	0.214	C	C	.	.			trans	-57.2	133.6	-179.4	-170.2	-63.8	0	0	0	111.7	M254 N294 W299 L300 R301	M254-N297 HydrophobicContact CE-CB 4.09Å; M254-N297 PolarHBondContact O-ND2 3.2Å; N294-N297 VanDerWaalsContact O-CB 3.23Å; N294-N297 WeakPolarHBondContact O-CB 3.28Å; N294-N297 PolarHBondContact O-N 2.93Å; N297-W299 VanDerWaalsContact C-N 3.29Å; N297-W299 PolarHBondContact O-N 3.46Å; N297-W299 WeakPolarHBondContact OD1-CB 3.18Å; N297-W299 PolarHBondContact OD1-N 3.48Å; N297-L300 HydrophobicContact CB-CD1 4.24Å; N297-L300 HydrophobicContact CB-CG 4.41Å; N297-L300 PolarHBondContact O-N 2.55Å; N297-R301 PolarHBondContact O-N 2.93Å
298	N	90.6	Very high	95.9	Very high	17 Å²	17	44.6 Å²	44.6	9%	0.091	21%	0.206	C	C	.	.	H	α-helix	trans	-61.8	-36.3	-173.6	-70.6	-39.2	0	0	0	112.7	N258 Q296 R301 G302 S1154	N258-N298 PolarHBondContact OD1-N 3.5Å; N258-N298 PolarHBondContact OD1-ND2 3.18Å; Q296-N298 PolarHBondContact O-N 2.89Å; N298-R301 PolarHBondContact O-N 3.29Å; N298-G302 PolarHBondContact O-N 3.34Å; N298-S1154 VanDerWaalsContact ND2-C 3.29Å; N298-S1154 PolarHBondContact ND2-O 3.44Å; N298-S1154 PolarHBondContact ND2-OG 3.3Å
299	W	96.9	Very high	96	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-47.7	176.6	178.7	85.2	0	0	0	111.5	L257 G263 S264 L265 A276 I279 N297 R301 G302 H303	L257-W299 HydrophobicContact CB-CB 3.95Å; L257-W299 HydrophobicContact CB-CD2 4.43Å; L257-W299 HydrophobicContact CB-CG 4.06Å; L257-W299 HydrophobicContact CD1-CD2 4.25Å; L257-W299 HydrophobicContact CD1-CE3 4.09Å; L257-W299 HydrophobicContact CD1-CZ3 4.42Å; L257-W299 HydrophobicContact CD2-CD2 3.9Å; L257-W299 HydrophobicContact CD2-CG 3.95Å; L257-W299 HydrophobicContact CD2-CZ2 4.45Å; L257-W299 HydrophobicContact CG-CD2 4.43Å; L257-W299 HydrophobicContact CG-CG 4.46Å; L257-W299 WeakPolarHBondContact O-CB 3.43Å; G263-W299 PolarHBondContact O-NE1 3.33Å; S264-W299 PolarHBondContact O-NE1 3.39Å; L265-W299 HydrophobicContact CD1-CZ2 3.77Å; L265-W299 HydrophobicContact CD2-CZ2 4.24Å; L265-W299 HydrophobicContact CG-CZ2 3.92Å; A276-W299 HydrophobicContact CB-CH2 4.05Å; I279-W299 HydrophobicContact CB-CH2 4.48Å; I279-W299 HydrophobicContact CB-CZ3 4.31Å; I279-W299 HydrophobicContact CG2-CE3 4.42Å; I279-W299 HydrophobicContact CG2-CH2 4.29Å; I279-W299 HydrophobicContact CG2-CZ3 3.65Å; N297-W299 VanDerWaalsContact C-N 3.29Å; N297-W299 PolarHBondContact O-N 3.46Å; N297-W299 WeakPolarHBondContact OD1-CB 3.18Å; N297-W299 PolarHBondContact OD1-N 3.48Å; W299-R301 PolarHBondContact O-N 2.88Å; W299-G302 CarbonylContact O-C 3.43Å; W299-G302 PolarHBondContact O-N 3.09Å; W299-H303 HydrophobicContact CD2-CB 4.42Å; W299-H303 AromaticContact CE2-ND1 3.64Å; W299-H303 AromaticContact CH2-CD2 3.71Å; W299-H303 AromaticContact CH2-CE1 3.81Å; W299-H303 AromaticContact CH2-CG 3.83Å; W299-H303 AromaticContact CH2-ND1 3.89Å; W299-H303 AromaticContact CH2-NE2 3.71Å; W299-H303 HydrophobicContact CZ2-CB 4.41Å; W299-H303 AromaticContact CZ2-CD2 3.92Å; W299-H303 AromaticContact CZ2-CE1 3.32Å; W299-H303 WeakPolarHBondContact CZ2-CE1 3.32Å; W299-H303 AromaticContact CZ2-CG 3.67Å; W299-H303 AromaticContact CZ2-ND1 3.28Å; W299-H303 VanDerWaalsContact CZ2-ND1 3.28Å; W299-H303 WeakPolarHBondContact CZ2-ND1 3.45Å; W299-H303 AromaticContact CZ2-NE2 3.73Å; W299-H303 VanDerWaalsContact O-CB 3.29Å; W299-H303 WeakPolarHBondContact O-CB 3.29Å; W299-H303 PolarHBondContact O-N 3.11Å
300	L	97.1	Very high	96	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-58.2	-38.5	177.1	-75.8	175.8	0	0	0	112.1	M254 V283 N294 N297 F338 L339 V343	M254-L300 HydrophobicContact CE-CD1 4.32Å; M254-L300 HydrophobicContact CE-CG 4.49Å; V283-L300 HydrophobicContact CG1-CD1 4.35Å; V283-L300 HydrophobicContact CG2-CD1 4.29Å; N294-L300 WeakPolarHBondContact O-CD1 3.23Å; N297-L300 HydrophobicContact CB-CD1 4.24Å; N297-L300 HydrophobicContact CB-CG 4.41Å; N297-L300 PolarHBondContact O-N 2.55Å; L300-F338 HydrophobicContact CD2-CE1 4.24Å; L300-L339 HydrophobicContact CD2-CD2 4.18Å; L300-L339 VanDerWaalsContact O-CD2 3.26Å; L300-L339 WeakPolarHBondContact O-CD2 3.16Å; L300-V343 HydrophobicContact CB-CG1 4.41Å; L300-V343 HydrophobicContact CB-CG2 4.22Å
301	R	92.9	Very high	96.1	Very high	132 Å²	132	35.4 Å²	35.4	50%	0.498	17%	0.168	S	C	.	.	H	α-helix	trans	-69.5	-33	177.6	-65.7	178.2	64.2	-162.1	-3.8	112.5	N297 N298 W299 V343	N297-R301 PolarHBondContact O-N 2.93Å; N298-R301 PolarHBondContact O-N 3.29Å; W299-R301 PolarHBondContact O-N 2.88Å; R301-V343 HydrophobicContact CB-CG1 4.43Å; R301-V343 HydrophobicContact CG-CG1 3.73Å
302	G	93.7	Very high	96.1	Very high	11 Å²	11	29.8 Å²	29.8	11%	0.113	14%	0.138	C	C	.	.	H	α-helix	trans	-78.9	-33.6	173.9	0	0	0	0	0	114.4	N298 W299 F304 W305	N298-G302 PolarHBondContact O-N 3.34Å; W299-G302 CarbonylContact O-C 3.43Å; W299-G302 PolarHBondContact O-N 3.09Å; G302-F304 PolarHBondContact O-N 2.86Å; G302-W305 WeakPolarHBondContact O-CB 3.21Å; G302-W305 PolarHBondContact O-N 3.17Å
303	H	98.3	Very high	96	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-61.9	-20.2	-162.3	-165.4	59.8	0	0	0	115.3	G263 A276 W299 W305 F306 Y307 L339	G263-H303 PolarHBondContact O-ND1 2.9Å; A276-H303 VanDerWaalsContact CB-NE2 3.32Å; A276-H303 WeakPolarHBondContact CB-NE2 3.34Å; W299-H303 HydrophobicContact CD2-CB 4.42Å; W299-H303 AromaticContact CE2-ND1 3.64Å; W299-H303 AromaticContact CH2-CD2 3.71Å; W299-H303 AromaticContact CH2-CE1 3.81Å; W299-H303 AromaticContact CH2-CG 3.83Å; W299-H303 AromaticContact CH2-ND1 3.89Å; W299-H303 AromaticContact CH2-NE2 3.71Å; W299-H303 HydrophobicContact CZ2-CB 4.41Å; W299-H303 AromaticContact CZ2-CD2 3.92Å; W299-H303 AromaticContact CZ2-CE1 3.32Å; W299-H303 WeakPolarHBondContact CZ2-CE1 3.32Å; W299-H303 AromaticContact CZ2-CG 3.67Å; W299-H303 AromaticContact CZ2-ND1 3.28Å; W299-H303 VanDerWaalsContact CZ2-ND1 3.28Å; W299-H303 WeakPolarHBondContact CZ2-ND1 3.45Å; W299-H303 AromaticContact CZ2-NE2 3.73Å; W299-H303 VanDerWaalsContact O-CB 3.29Å; W299-H303 WeakPolarHBondContact O-CB 3.29Å; W299-H303 PolarHBondContact O-N 3.11Å; H303-W305 VanDerWaalsContact C-N 3.26Å; H303-W305 PolarHBondContact O-N 3.31Å; H303-F306 AromaticContact CE1-CD1 3.47Å; H303-F306 VanDerWaalsContact CE1-CD1 3.47Å; H303-F306 WeakPolarHBondContact CE1-CD1 3.49Å; H303-F306 AromaticContact ND1-CD1 3.83Å; H303-F306 WeakPolarHBondContact O-CB 3.23Å; H303-F306 PolarHBondContact O-N 3.32Å; H303-Y307 AromaticContact CD2-CE2 3.63Å; H303-Y307 AromaticContact NE2-CE2 3.44Å; H303-Y307 WeakPolarHBondContact NE2-CE2 3.34Å; H303-Y307 AromaticContact NE2-CZ 3.39Å; H303-Y307 PolarHBondContact NE2-OH 2.82Å; H303-Y307 PolarHBondContact O-N 2.88Å; H303-L339 HydrophobicContact CB-CD1 4.38Å
304	F	98.1	Very high	96	Very high	7 Å²	7	24.5 Å²	24.5	3%	0.031	11%	0.114	C	C	.	.	H	α-helix	trans	-55.2	-42.8	167.7	169	-94.8	0	0	0	112.1	G302 F306 Y307 Y308 L336 L339 L344 T348 L352	G302-F304 PolarHBondContact O-N 2.86Å; F304-F306 VanDerWaalsContact C-N 3.3Å; F304-F306 PolarHBondContact O-N 2.96Å; F304-Y307 PolarHBondContact O-N 3.08Å; F304-Y308 HydrophobicContact CE1-CG 4.12Å; F304-Y308 HydrophobicContact CZ-CD2 4.16Å; F304-Y308 HydrophobicContact CZ-CG 4.03Å; F304-Y308 PolarHBondContact O-N 2.93Å; F304-L336 HydrophobicContact CD2-CD2 4.09Å; F304-L336 HydrophobicContact CE2-CD2 4.48Å; F304-L339 HydrophobicContact CB-CD1 4.38Å; F304-L344 HydrophobicContact CB-CD1 3.98Å; F304-L344 HydrophobicContact CB-CD2 4.39Å; F304-L344 HydrophobicContact CD2-CD1 3.95Å; F304-L344 HydrophobicContact CG-CD1 4.01Å; F304-T348 HydrophobicContact CE1-CG2 4.14Å; F304-T348 HydrophobicContact CE2-CG2 3.81Å; F304-T348 HydrophobicContact CZ-CG2 3.46Å; F304-T348 VanDerWaalsContact CZ-CG2 3.46Å; F304-L352 HydrophobicContact CD2-CD2 4.45Å; F304-L352 HydrophobicContact CE2-CB 4.19Å; F304-L352 HydrophobicContact CE2-CD2 3.74Å; F304-L352 HydrophobicContact CZ-CD2 4.21Å
305	W	97.6	Very high	96	Very high	101 Å²	101	23.9 Å²	23.9	38%	0.383	11%	0.11	S	C	.	.	H	α-helix	trans	-68	-30.1	179.7	-64.9	108.5	0	0	0	112.2	G302 H303 Y307 Y308 A309 P393 H402	G302-W305 WeakPolarHBondContact O-CB 3.21Å; G302-W305 PolarHBondContact O-N 3.17Å; H303-W305 VanDerWaalsContact C-N 3.26Å; H303-W305 PolarHBondContact O-N 3.31Å; W305-Y307 VanDerWaalsContact C-N 3.27Å; W305-Y307 PolarHBondContact O-N 2.95Å; W305-Y308 AromaticContact CE3-CD1 3.82Å; W305-Y308 HydrophobicContact CE3-CD1 3.82Å; W305-Y308 AromaticContact CZ3-CD1 3.66Å; W305-Y308 HydrophobicContact CZ3-CD1 3.66Å; W305-Y308 HydrophobicContact CZ3-CE1 4.04Å; W305-Y308 PolarHBondContact O-N 3.46Å; W305-A309 WeakPolarHBondContact O-CA 3.38Å; W305-A309 VanDerWaalsContact O-CB 3.24Å; W305-A309 WeakPolarHBondContact O-CB 3.38Å; W305-A309 PolarHBondContact O-N 3.2Å; W305-P393 HydrophobicContact CH2-CB 4.45Å; W305-H402 AromaticContact CD2-CE1 3.99Å; W305-H402 AromaticContact CG-CE1 3.73Å
306	F	98.5	Very high	96.1	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.2	-33.2	173.1	-173.1	-112	0	0	0	112.7	G263 L265 V269 H303 F304 T310 F404 W407	G263-F306 WeakPolarHBondContact O-CB 3.45Å; L265-F306 HydrophobicContact CB-CE1 4.47Å; L265-F306 HydrophobicContact CB-CZ 4.26Å; V269-F306 HydrophobicContact CB-CE1 4.49Å; V269-F306 HydrophobicContact CB-CZ 4.46Å; V269-F306 HydrophobicContact CG2-CE1 4.42Å; V269-F306 HydrophobicContact CG2-CE2 4.32Å; V269-F306 HydrophobicContact CG2-CZ 4.06Å; H303-F306 AromaticContact CE1-CD1 3.47Å; H303-F306 VanDerWaalsContact CE1-CD1 3.47Å; H303-F306 WeakPolarHBondContact CE1-CD1 3.49Å; H303-F306 AromaticContact ND1-CD1 3.83Å; H303-F306 WeakPolarHBondContact O-CB 3.23Å; H303-F306 PolarHBondContact O-N 3.32Å; F304-F306 VanDerWaalsContact C-N 3.3Å; F304-F306 PolarHBondContact O-N 2.96Å; F306-T310 HydrophobicContact CD2-CG2 4.45Å; F306-T310 WeakPolarHBondContact O-CB 3.13Å; F306-T310 VanDerWaalsContact O-CG2 3.23Å; F306-T310 WeakPolarHBondContact O-CG2 3.4Å; F306-T310 PolarHBondContact O-OG1 3.37Å; F306-F404 HydrophobicContact CB-CE1 4.23Å; F306-F404 HydrophobicContact CD2-CE1 4.13Å; F306-F404 HydrophobicContact CD2-CZ 4.4Å; F306-W407 HydrophobicContact CD2-CE3 4.38Å; F306-W407 HydrophobicContact CD2-CZ3 4.27Å; F306-W407 HydrophobicContact CE2-CD2 4.4Å; F306-W407 AromaticContact CE2-CE3 3.84Å; F306-W407 HydrophobicContact CE2-CE3 3.84Å; F306-W407 HydrophobicContact CE2-CH2 4.03Å; F306-W407 AromaticContact CE2-CZ3 3.64Å; F306-W407 HydrophobicContact CE2-CZ3 3.64Å
307	Y	98.4	Very high	96.4	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-83.4	-38	171.7	-65.7	-49.8	0	0	0	114	A276 H303 F304 W305 W328 P332 Q335 L336	A276-Y307 VanDerWaalsContact CB-OH 3.22Å; A276-Y307 WeakPolarHBondContact CB-OH 3.39Å; H303-Y307 AromaticContact CD2-CE2 3.63Å; H303-Y307 AromaticContact NE2-CE2 3.44Å; H303-Y307 WeakPolarHBondContact NE2-CE2 3.34Å; H303-Y307 AromaticContact NE2-CZ 3.39Å; H303-Y307 PolarHBondContact NE2-OH 2.82Å; H303-Y307 PolarHBondContact O-N 2.88Å; F304-Y307 PolarHBondContact O-N 3.08Å; W305-Y307 VanDerWaalsContact C-N 3.27Å; W305-Y307 PolarHBondContact O-N 2.95Å; Y307-W328 AromaticContact CD1-NE1 3.69Å; Y307-P332 HydrophobicContact CD1-CB 4.06Å; Y307-P332 HydrophobicContact CD2-CB 4.47Å; Y307-P332 HydrophobicContact CE1-CB 3.91Å; Y307-P332 HydrophobicContact CE2-CB 4.29Å; Y307-P332 HydrophobicContact CG-CB 4.35Å; Y307-Q335 HydrophobicContact CE2-CB 3.92Å; Y307-L336 HydrophobicContact CD2-CD2 3.82Å; Y307-L336 HydrophobicContact CD2-CG 4.19Å; Y307-L336 HydrophobicContact CG-CD2 4.41Å
308	Y	98.4	Very high	96.6	Very high	20 Å²	20	21.8 Å²	21.8	8%	0.078	10%	0.098	C	C	.	.	H	α-helix	trans	-76.7	-49.4	-177.6	-179.9	-97.3	0	0	0	112.8	F304 W305 T310 L311 W351 L352 P393	F304-Y308 HydrophobicContact CE1-CG 4.12Å; F304-Y308 HydrophobicContact CZ-CD2 4.16Å; F304-Y308 HydrophobicContact CZ-CG 4.03Å; F304-Y308 PolarHBondContact O-N 2.93Å; W305-Y308 AromaticContact CE3-CD1 3.82Å; W305-Y308 HydrophobicContact CE3-CD1 3.82Å; W305-Y308 AromaticContact CZ3-CD1 3.66Å; W305-Y308 HydrophobicContact CZ3-CD1 3.66Å; W305-Y308 HydrophobicContact CZ3-CE1 4.04Å; W305-Y308 PolarHBondContact O-N 3.46Å; Y308-T310 VanDerWaalsContact C-N 3.3Å; Y308-T310 PolarHBondContact O-N 3.47Å; Y308-L311 WeakPolarHBondContact O-CB 3.47Å; Y308-L311 PolarHBondContact O-N 3.04Å; Y308-W351 HydrophobicContact CD2-CZ3 4.22Å; Y308-W351 HydrophobicContact CE2-CH2 4.15Å; Y308-W351 AromaticContact CE2-CZ3 3.9Å; Y308-W351 HydrophobicContact CE2-CZ3 3.9Å; Y308-L352 HydrophobicContact CD2-CD1 4.24Å; Y308-L352 HydrophobicContact CD2-CD2 4.2Å; Y308-P393 HydrophobicContact CD2-CG 4.18Å; Y308-P393 HydrophobicContact CE1-CG 4.18Å; Y308-P393 HydrophobicContact CE2-CG 3.61Å
309	A	98	Very high	96.9	Very high	3 Å²	3	21.2 Å²	21.2	3%	0.025	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-2.7	-171.3	0	0	0	0	0	114.2	W305 H402 F404 T411 A414	W305-A309 WeakPolarHBondContact O-CA 3.38Å; W305-A309 VanDerWaalsContact O-CB 3.24Å; W305-A309 WeakPolarHBondContact O-CB 3.38Å; W305-A309 PolarHBondContact O-N 3.2Å; A309-H402 HydrophobicContact CB-CB 3.66Å; A309-F404 HydrophobicContact CB-CE2 4.29Å; A309-F404 HydrophobicContact CB-CZ 3.96Å; A309-T411 VanDerWaalsContact O-CB 3.27Å; A309-T411 WeakPolarHBondContact O-CB 3.3Å; A309-T411 WeakPolarHBondContact O-CG2 3.3Å; A309-T411 PolarHBondContact O-OG1 3.01Å; A309-A414 VanDerWaalsContact C-CB 3.43Å; A309-A414 VanDerWaalsContact CA-CB 3.5Å; A309-A414 HydrophobicContact CB-CB 4.42Å; A309-A414 WeakPolarHBondContact O-CB 3.42Å
310	T	98.4	Very high	96.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	1.6	170.9	65.3	0	0	0	0	113.4	V269 F306 Y308 T318 V319 F404 W407	V269-T310 HydrophobicContact CG2-CG2 3.78Å; V269-T310 WeakPolarHBondContact CG2-OG1 3.45Å; F306-T310 HydrophobicContact CD2-CG2 4.45Å; F306-T310 WeakPolarHBondContact O-CB 3.13Å; F306-T310 VanDerWaalsContact O-CG2 3.23Å; F306-T310 WeakPolarHBondContact O-CG2 3.4Å; F306-T310 PolarHBondContact O-OG1 3.37Å; Y308-T310 VanDerWaalsContact C-N 3.3Å; Y308-T310 PolarHBondContact O-N 3.47Å; T310-T318 CarbonylContact O-C 3.5Å; T310-T318 VanDerWaalsContact O-CA 3.3Å; T310-T318 WeakPolarHBondContact O-CA 3.35Å; T310-V319 HydrophobicContact CG2-CG1 4.24Å; T310-V319 PolarHBondContact O-N 2.96Å; T310-F404 HydrophobicContact CG2-CE2 3.71Å; T310-F404 HydrophobicContact CG2-CZ 3.84Å; T310-W407 HydrophobicContact CG2-CZ3 4.06Å
311	L	97.4	Very high	96.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-89.5	125	-174.1	-172	53.3	0	0	0	111.2	Y308 F315 R317 W328 L352 I356 A414 G415	Y308-L311 WeakPolarHBondContact O-CB 3.47Å; Y308-L311 PolarHBondContact O-N 3.04Å; L311-F315 HydrophobicContact CD2-CB 4.21Å; L311-F315 HydrophobicContact CD2-CD1 3.68Å; L311-F315 HydrophobicContact CD2-CG 4.37Å; L311-R317 WeakPolarHBondContact CD1-O 3.06Å; L311-W328 HydrophobicContact CD1-CH2 3.69Å; L311-W328 HydrophobicContact CD1-CZ2 3.78Å; L311-L352 HydrophobicContact CD2-CD1 3.83Å; L311-I356 HydrophobicContact CD2-CD1 4.44Å; L311-I356 HydrophobicContact CD2-CG1 4.26Å; L311-A414 CarbonylContact O-C 3.54Å; L311-A414 WeakPolarHBondContact O-CA 3.21Å; L311-G415 PolarHBondContact O-N 2.97Å
312	L	97.4	Very high	97	Very high	13 Å²	13	15.1 Å²	15.1	7%	0.068	7%	0.073	C	C	.	.	P	Polyproline II helix	trans	-74.4	156.5	177.5	-84.1	64.8	0	0	0	111.5	G314 F315 R317 F424 A470 V475	L312-G314 PolarHBondContact O-N 2.91Å; L312-F315 PolarHBondContact O-N 3.43Å; L312-R317 HydrophobicContact CB-CB 4.21Å; L312-R317 HydrophobicContact CD2-CB 4.15Å; L312-R317 PolarHBondContact N-O 3.17Å; L312-F424 HydrophobicContact CD1-CD1 3.76Å; L312-F424 HydrophobicContact CD1-CD2 4.27Å; L312-F424 HydrophobicContact CD1-CE1 3.58Å; L312-F424 HydrophobicContact CD1-CE2 4.11Å; L312-F424 HydrophobicContact CD1-CG 4.11Å; L312-F424 HydrophobicContact CD1-CZ 3.76Å; L312-F424 HydrophobicContact CG-CB 4.24Å; L312-F424 HydrophobicContact CG-CD1 3.82Å; L312-F424 HydrophobicContact CG-CD2 4.32Å; L312-F424 HydrophobicContact CG-CE1 4.18Å; L312-F424 HydrophobicContact CG-CG 3.89Å; L312-A470 HydrophobicContact CD2-CB 4.23Å; L312-V475 HydrophobicContact CD2-CG2 3.66Å
313	P	96.8	Very high	97	Very high	14 Å²	14	14.6 Å²	14.6	9%	0.091	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	129	176.4	-30.6	33.2	0	0	0	113.2	L416 F424	P313-L416 CarbonylContact C-O 3.53Å; P313-L416 VanDerWaalsContact CA-O 3.24Å; P313-L416 WeakPolarHBondContact CA-O 3.38Å; P313-L416 HydrophobicContact CB-CB 4.4Å; P313-L416 HydrophobicContact CG-CB 4.34Å; P313-F424 HydrophobicContact CG-CB 4.28Å
314	G	95.7	Very high	96.8	Very high	11 Å²	11	14.6 Å²	14.6	11%	0.113	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.6	2.2	-177.6	0	0	0	0	0	115.5	L312 Q316 H359 L416	L312-G314 PolarHBondContact O-N 2.91Å; G314-Q316 VanDerWaalsContact C-N 3.28Å; G314-Q316 PolarHBondContact O-N 3.48Å; G314-H359 WeakPolarHBondContact O-CB 3.1Å; G314-L416 PolarHBondContact N-O 3.41Å
315	F	96.8	Very high	96.4	Very high	5 Å²	5	15.3 Å²	15.3	2%	0.022	7%	0.072	C	C	.	.	S	Bend	trans	64.2	20.7	169.6	-46.8	-92.8	0	0	0	115.8	L311 L312 W351 L352 Q355 H359 F396 G415 P417	L311-F315 HydrophobicContact CD2-CB 4.21Å; L311-F315 HydrophobicContact CD2-CD1 3.68Å; L311-F315 HydrophobicContact CD2-CG 4.37Å; L312-F315 PolarHBondContact O-N 3.43Å; F315-W351 AromaticContact CE1-CH2 3.9Å; F315-W351 HydrophobicContact CE1-CH2 3.9Å; F315-W351 HydrophobicContact CE1-CZ2 4.47Å; F315-W351 HydrophobicContact CZ-CH2 4.23Å; F315-W351 HydrophobicContact CZ-CZ2 4.45Å; F315-L352 HydrophobicContact CD1-CD1 4.27Å; F315-L352 HydrophobicContact CE1-CD1 4.49Å; F315-Q355 HydrophobicContact CD1-CB 3.59Å; F315-Q355 HydrophobicContact CD1-CG 4.3Å; F315-Q355 HydrophobicContact CD2-CB 4.3Å; F315-Q355 HydrophobicContact CE1-CB 3.77Å; F315-Q355 HydrophobicContact CE1-CG 3.95Å; F315-Q355 HydrophobicContact CE2-CB 4.44Å; F315-Q355 HydrophobicContact CG-CB 3.9Å; F315-Q355 HydrophobicContact CZ-CB 4.2Å; F315-Q355 HydrophobicContact CZ-CG 4.11Å; F315-H359 HydrophobicContact CB-CB 4.26Å; F315-H359 AromaticContact CD2-CE1 3.62Å; F315-H359 AromaticContact CD2-ND1 3.48Å; F315-H359 WeakPolarHBondContact CD2-ND1 3.21Å; F315-H359 AromaticContact CG-ND1 3.91Å; F315-F396 AromaticContact CZ-CE2 3.99Å; F315-F396 HydrophobicContact CZ-CE2 3.99Å; F315-F396 HydrophobicContact CZ-CZ 4.25Å; F315-G415 WeakPolarHBondContact CE1-O 3.22Å; F315-G415 VanDerWaalsContact CZ-O 3.24Å; F315-G415 WeakPolarHBondContact CZ-O 3.2Å; F315-P417 HydrophobicContact CE2-CB 4.49Å
316	Q	95	Very high	96.1	Very high	73 Å²	73	12.3 Å²	12.3	34%	0.341	6%	0.061	S	C	.	.	S	Bend	trans	-108	-29.2	-176.1	-71.9	-171.9	-17.5	0	0	115.8	G314 N327 H359 P361	G314-Q316 VanDerWaalsContact C-N 3.28Å; G314-Q316 PolarHBondContact O-N 3.48Å; Q316-N327 WeakPolarHBondContact O-CB 3.1Å; Q316-N327 PolarHBondContact O-ND2 3.13Å; Q316-H359 HydrophobicContact CG-CB 4.15Å; Q316-H359 VanDerWaalsContact CG-O 3.29Å; Q316-H359 WeakPolarHBondContact CG-O 3.26Å; Q316-H359 PolarHBondContact NE2-O 2.98Å; Q316-P361 HydrophobicContact CB-CG 4.15Å; Q316-P361 HydrophobicContact CG-CG 4.05Å
317	R	95.1	Very high	95.9	Very high	42 Å²	42	12.5 Å²	12.5	16%	0.158	6%	0.062	C	C	.	.			trans	-124.1	144.2	-173.2	-67.8	-178.5	-179.6	-170.6	-5.2	111.4	L311 L312 Y326 M366 D598	L311-R317 WeakPolarHBondContact CD1-O 3.06Å; L312-R317 HydrophobicContact CB-CB 4.21Å; L312-R317 HydrophobicContact CD2-CB 4.15Å; L312-R317 PolarHBondContact N-O 3.17Å; R317-Y326 CarbonylContact C-O 3.57Å; R317-Y326 VanDerWaalsContact CA-O 3.24Å; R317-Y326 WeakPolarHBondContact CA-O 3.33Å; R317-M366 HydrophobicContact CG-SD 3.72Å; R317-M366 PolarHBondContact NE-SD 2.84Å; R317-D598 IonicContact CZ-OD1 3.36Å; R317-D598 VanDerWaalsContact CZ-OD1 3.29Å; R317-D598 IonicContact CZ-OD2 2.67Å; R317-D598 VanDerWaalsContact NH1-CG 3.3Å; R317-D598 IonicContact NH1-OD1 3.66Å; R317-D598 PolarHBondContact NH1-OD1 2.98Å; R317-D598 IonicContact NH1-OD2 2.89Å; R317-D598 PolarHBondContact NH1-OD2 2.98Å; R317-D598 IonicContact NH2-OD1 3.7Å; R317-D598 PolarHBondContact NH2-OD1 3.14Å; R317-D598 IonicContact NH2-OD2 3.19Å
318	T	97.3	Very high	95.8	Very high	8 Å²	8	12.7 Å²	12.7	5%	0.049	6%	0.063	C	C	.	.	B	Isolated β-bridge	trans	-101.9	171.3	168.5	63.9	0	0	0	0	110.7	V269 T310 G320 Y326 N327 W328	V269-T318 HydrophobicContact CB-CG2 4.42Å; V269-T318 HydrophobicContact CG1-CG2 3.72Å; T310-T318 CarbonylContact O-C 3.5Å; T310-T318 VanDerWaalsContact O-CA 3.3Å; T310-T318 WeakPolarHBondContact O-CA 3.35Å; T318-G320 PolarHBondContact O-N 3.05Å; T318-Y326 PolarHBondContact N-O 2.88Å; T318-N327 HydrophobicContact CG2-CB 4.24Å; T318-N327 WeakPolarHBondContact CG2-O 3.17Å; T318-N327 WeakPolarHBondContact OG1-CA 3.3Å; T318-N327 PolarHBondContact OG1-O 3.15Å; T318-W328 HydrophobicContact CG2-CD2 4.22Å; T318-W328 VanDerWaalsContact CG2-CE2 3.49Å; T318-W328 HydrophobicContact CG2-CH2 4.41Å; T318-W328 HydrophobicContact CG2-CZ2 3.62Å
319	V	97.2	Very high	95.7	Very high	5 Å²	5	11.9 Å²	11.9	3%	0.03	6%	0.059	C	C	.	.			trans	-54.5	-24.3	-176.1	69.6	0	0	0	0	114.9	V269 T310 I321 W407 F424 S426	V269-V319 HydrophobicContact CG2-CG1 3.91Å; T310-V319 HydrophobicContact CG2-CG1 4.24Å; T310-V319 PolarHBondContact O-N 2.96Å; V319-I321 VanDerWaalsContact C-N 3.33Å; V319-I321 HydrophobicContact CG1-CB 4.33Å; V319-I321 HydrophobicContact CG1-CD1 4.06Å; V319-I321 HydrophobicContact CG1-CG1 4.2Å; V319-I321 HydrophobicContact CG2-CD1 3.71Å; V319-I321 HydrophobicContact CG2-CG1 4.04Å; V319-I321 PolarHBondContact O-N 2.96Å; V319-W407 HydrophobicContact CG1-CH2 4.1Å; V319-F424 HydrophobicContact CB-CE1 4.42Å; V319-F424 HydrophobicContact CB-CZ 4.15Å; V319-F424 HydrophobicContact CG2-CE1 4.04Å; V319-F424 HydrophobicContact CG2-CZ 4.07Å; V319-S426 VanDerWaalsContact CG2-CB 3.4Å; V319-S426 VanDerWaalsContact CG2-OG 3.3Å; V319-S426 WeakPolarHBondContact CG2-OG 3.45Å
320	G	95.1	Very high	95.6	Very high	2 Å²	2	11.7 Å²	11.7	2%	0.021	6%	0.058	C	C	.	.			trans	77.5	6.9	171	0	0	0	0	0	117.1	T318	T318-G320 PolarHBondContact O-N 3.05Å
321	I	97.6	Very high	95.5	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.005	6%	0.06	C	C	.	.			trans	-62.8	147.4	174.6	-68.4	166.3	0	0	0	110.9	V319 W407 V409 K428 E479	V319-I321 VanDerWaalsContact C-N 3.33Å; V319-I321 HydrophobicContact CG1-CB 4.33Å; V319-I321 HydrophobicContact CG1-CD1 4.06Å; V319-I321 HydrophobicContact CG1-CG1 4.2Å; V319-I321 HydrophobicContact CG2-CD1 3.71Å; V319-I321 HydrophobicContact CG2-CG1 4.04Å; V319-I321 PolarHBondContact O-N 2.96Å; I321-W407 HydrophobicContact CB-CH2 4.15Å; I321-W407 HydrophobicContact CB-CZ2 3.95Å; I321-W407 HydrophobicContact CD1-CH2 4.23Å; I321-W407 HydrophobicContact CD1-CZ2 4.46Å; I321-W407 HydrophobicContact CG2-CH2 4.27Å; I321-W407 HydrophobicContact CG2-CZ2 3.58Å; I321-V409 HydrophobicContact CD1-CG1 3.95Å; I321-V409 HydrophobicContact CD1-CG2 3.84Å; I321-K428 HydrophobicContact CD1-CB 4.33Å; I321-K428 HydrophobicContact CG2-CD 3.88Å; I321-E479 HydrophobicContact CG1-CG 4.2Å
322	A	96.1	Very high	95.6	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.06	C	C	.	.	S	Bend	trans	61.2	-168.7	-175.3	0	0	0	0	0	113.3	S324 H459	A322-S324 VanDerWaalsContact C-N 3.26Å; A322-S324 PolarHBondContact O-N 2.99Å; A322-H459 WeakPolarHBondContact CB-O 3.49Å
323	D	94.7	Very high	95.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.058	C	C	.	.	S	Bend	trans	-65	81.2	178.4	-89.7	-30.1	0	0	0	112.1	Y271 H459 Y482 G483 K485	Y271-D323 HydrophobicContact CD2-CB 4.14Å; Y271-D323 WeakPolarHBondContact CD2-O 3.36Å; Y271-D323 HydrophobicContact CE2-CB 3.81Å; Y271-D323 VanDerWaalsContact CE2-O 3.32Å; Y271-D323 WeakPolarHBondContact CE2-O 3.34Å; D323-H459 HydrophobicContact CB-CB 4.2Å; D323-H459 PolarHBondContact N-O 2.7Å; D323-H459 VanDerWaalsContact N-O 3.1Å; D323-H459 IonicContact OD2-CE1 3.04Å; D323-H459 IonicContact OD2-CG 3.76Å; D323-H459 IonicContact OD2-ND1 3.83Å; D323-H459 PolarHBondContact OD2-ND1 3.06Å; D323-Y482 HydrophobicContact CB-CD2 3.64Å; D323-Y482 HydrophobicContact CB-CE2 3.98Å; D323-Y482 HydrophobicContact CB-CG 4.14Å; D323-Y482 WeakPolarHBondContact OD1-CA 3.47Å; D323-G483 PolarHBondContact OD1-N 3.06Å; D323-K485 IonicContact OD1-NZ 2.84Å; D323-K485 PolarHBondContact OD1-NZ 3.32Å; D323-K485 WeakPolarHBondContact OD2-CE 3.4Å; D323-K485 IonicContact OD2-NZ 2.72Å; D323-K485 PolarHBondContact OD2-NZ 3.16Å
324	S	92.6	Very high	95.7	Very high	2 Å²	2	11 Å²	11	1%	0.014	5%	0.054	C	C	.	.			trans	-106.5	161.5	-171.3	-167.8	0	0	0	0	113.3	A270 A322 L481 Y482 R652	A270-S324 WeakPolarHBondContact CB-OG 3.42Å; A322-S324 VanDerWaalsContact C-N 3.26Å; A322-S324 PolarHBondContact O-N 2.99Å; S324-L481 WeakPolarHBondContact O-CB 3.22Å; S324-Y482 VanDerWaalsContact O-CB 3.31Å; S324-Y482 WeakPolarHBondContact O-CB 3.39Å; S324-Y482 PolarHBondContact O-N 2.55Å; S324-R652 PolarHBondContact O-NH1 2.7Å; S324-R652 PolarHBondContact O-NH2 3.1Å
325	N	90.4	Very high	95.9	Very high	21 Å²	21	10.5 Å²	10.5	11%	0.112	5%	0.049	C	C	.	.			trans	-95.8	-170.7	151.7	74.4	11.9	0	0	0	109	N327 W328 F329 L481	N325-N327 PolarHBondContact O-N 2.94Å; N325-N327 VanDerWaalsContact O-N 3.16Å; N325-N327 PolarHBondContact OD1-N 3.36Å; N325-W328 VanDerWaalsContact ND2-C 3.31Å; N325-W328 PolarHBondContact ND2-O 3.02Å; N325-W328 PolarHBondContact OD1-N 2.94Å; N325-F329 HydrophobicContact CB-CD1 4.36Å; N325-F329 HydrophobicContact CB-CE1 3.89Å; N325-F329 HydrophobicContact CB-CZ 4.44Å; N325-F329 WeakPolarHBondContact ND2-CD1 3.36Å; N325-L481 WeakPolarHBondContact O-CD2 3.41Å
326	Y	92.1	Very high	95.9	Very high	39 Å²	39	10.3 Å²	10.3	15%	0.153	5%	0.048	C	C	.	.	S	Bend	trans	-64.3	-15.9	-179.7	-73.5	-83.9	0	0	0	114.5	R317 T318 P365 M366 L481 L597	R317-Y326 CarbonylContact C-O 3.57Å; R317-Y326 VanDerWaalsContact CA-O 3.24Å; R317-Y326 WeakPolarHBondContact CA-O 3.33Å; T318-Y326 PolarHBondContact N-O 2.88Å; Y326-P365 VanDerWaalsContact CD2-O 3.27Å; Y326-P365 WeakPolarHBondContact CD2-O 3.28Å; Y326-P365 HydrophobicContact CE2-CB 3.88Å; Y326-P365 WeakPolarHBondContact CE2-O 3.4Å; Y326-M366 HydrophobicContact CD1-CG 4.01Å; Y326-M366 HydrophobicContact CD2-CG 4.31Å; Y326-M366 HydrophobicContact CG-CB 4.41Å; Y326-M366 HydrophobicContact CG-CG 3.87Å; Y326-L481 HydrophobicContact CD1-CD1 3.84Å; Y326-L481 HydrophobicContact CD2-CD1 4.22Å; Y326-L481 HydrophobicContact CE1-CD1 3.95Å; Y326-L481 HydrophobicContact CE2-CD1 4.31Å; Y326-L481 HydrophobicContact CG-CD1 3.98Å; Y326-L597 HydrophobicContact CE1-CB 4.47Å; Y326-L597 HydrophobicContact CE1-CD1 4.41Å
327	N	94.3	Very high	96.1	Very high	3 Å²	3	7 Å²	7	2%	0.016	3%	0.033	C	C	.	.	S	Bend	trans	-152.7	-81.2	-176	46.5	49.2	0	0	0	114.2	Q316 T318 N325	Q316-N327 WeakPolarHBondContact O-CB 3.1Å; Q316-N327 PolarHBondContact O-ND2 3.13Å; T318-N327 HydrophobicContact CG2-CB 4.24Å; T318-N327 WeakPolarHBondContact CG2-O 3.17Å; T318-N327 WeakPolarHBondContact OG1-CA 3.3Å; T318-N327 PolarHBondContact OG1-O 3.15Å; N325-N327 PolarHBondContact O-N 2.94Å; N325-N327 VanDerWaalsContact O-N 3.16Å; N325-N327 PolarHBondContact OD1-N 3.36Å
328	W	96.1	Very high	96.3	Very high	4 Å²	4	5 Å²	5	2%	0.015	3%	0.026	C	C	.	.			trans	-143	148.2	-178.9	-48.8	-83.1	0	0	0	110.8	Y307 L311 T318 N325 P332 I356	Y307-W328 AromaticContact CD1-NE1 3.69Å; L311-W328 HydrophobicContact CD1-CH2 3.69Å; L311-W328 HydrophobicContact CD1-CZ2 3.78Å; T318-W328 HydrophobicContact CG2-CD2 4.22Å; T318-W328 VanDerWaalsContact CG2-CE2 3.49Å; T318-W328 HydrophobicContact CG2-CH2 4.41Å; T318-W328 HydrophobicContact CG2-CZ2 3.62Å; N325-W328 VanDerWaalsContact ND2-C 3.31Å; N325-W328 PolarHBondContact ND2-O 3.02Å; N325-W328 PolarHBondContact OD1-N 2.94Å; W328-P332 VanDerWaalsContact CD2-CD 3.4Å; W328-P332 HydrophobicContact CD2-CG 3.72Å; W328-P332 VanDerWaalsContact CE3-CD 3.46Å; W328-P332 HydrophobicContact CE3-CG 4.14Å; W328-P332 HydrophobicContact CG-CB 4.42Å; W328-P332 HydrophobicContact CG-CG 4.04Å; W328-P332 HydrophobicContact CZ2-CG 4.11Å; W328-I356 HydrophobicContact CE3-CG2 4.35Å; W328-I356 HydrophobicContact CH2-CB 4.4Å; W328-I356 HydrophobicContact CH2-CD1 3.6Å; W328-I356 HydrophobicContact CH2-CG1 3.74Å; W328-I356 HydrophobicContact CH2-CG2 3.79Å; W328-I356 HydrophobicContact CZ2-CD1 3.73Å; W328-I356 HydrophobicContact CZ2-CG1 4.34Å; W328-I356 HydrophobicContact CZ3-CD1 4.33Å; W328-I356 HydrophobicContact CZ3-CG1 4.38Å; W328-I356 HydrophobicContact CZ3-CG2 3.52Å
329	F	95.2	Very high	96.4	Very high	3 Å²	3	4.6 Å²	4.6	1%	0.013	2%	0.023	C	C	.	.	S	Bend	trans	-77.6	-44.6	169.3	-68.9	-56.4	0	0	0	111.5	A270 Y271 S273 Y274 N325 Q372 E648	A270-F329 HydrophobicContact CB-CD2 3.57Å; A270-F329 HydrophobicContact CB-CE2 3.49Å; A270-F329 VanDerWaalsContact CB-CE2 3.49Å; A270-F329 HydrophobicContact CB-CG 4.2Å; A270-F329 HydrophobicContact CB-CZ 4.1Å; A270-F329 WeakPolarHBondContact O-CD2 3.3Å; Y271-F329 HydrophobicContact CD1-CD2 4.17Å; Y271-F329 HydrophobicContact CD1-CE2 4.01Å; Y271-F329 AromaticContact CD2-CE2 3.73Å; Y271-F329 HydrophobicContact CD2-CE2 3.73Å; Y271-F329 HydrophobicContact CE1-CD2 4.3Å; Y271-F329 AromaticContact CE1-CE2 3.93Å; Y271-F329 HydrophobicContact CE1-CE2 3.93Å; Y271-F329 AromaticContact CE2-CE2 3.64Å; Y271-F329 HydrophobicContact CE2-CE2 3.64Å; Y271-F329 HydrophobicContact CE2-CZ 4.18Å; Y271-F329 HydrophobicContact CG-CD2 4.29Å; Y271-F329 AromaticContact CG-CE2 3.91Å; Y271-F329 HydrophobicContact CG-CE2 3.91Å; Y271-F329 AromaticContact CZ-CE2 3.75Å; S273-F329 PolarHBondContact OG-N 2.67Å; S273-F329 VanDerWaalsContact OG-N 3.08Å; Y274-F329 HydrophobicContact CD1-CD2 4.39Å; N325-F329 HydrophobicContact CB-CD1 4.36Å; N325-F329 HydrophobicContact CB-CE1 3.89Å; N325-F329 HydrophobicContact CB-CZ 4.44Å; N325-F329 WeakPolarHBondContact ND2-CD1 3.36Å; F329-Q372 WeakPolarHBondContact O-CB 3.22Å; F329-E648 WeakPolarHBondContact CE1-OE1 3.21Å; F329-E648 VanDerWaalsContact CZ-OE1 3.22Å; F329-E648 WeakPolarHBondContact CZ-OE1 3.48Å
330	Y	97	Very high	96.4	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.022	C	C	.	.	S	Bend	trans	-127.9	126.2	-171.3	-72.9	-82.4	0	0	0	111.8	E111 N115 H164 S273 Y274 K277 Q335 Q372 A375 T376	E111-Y330 PolarHBondContact OE2-OH 3.18Å; E111-Y330 VanDerWaalsContact OE2-OH 3.08Å; N115-Y330 PolarHBondContact ND2-OH 2.74Å; N115-Y330 VanDerWaalsContact ND2-OH 3.13Å; H164-Y330 AromaticContact CE1-CE1 3.85Å; H164-Y330 AromaticContact CE1-CZ 3.58Å; H164-Y330 PolarHBondContact CE1-OH 3.06Å; S273-Y330 WeakPolarHBondContact CB-O 3.42Å; S273-Y330 PolarHBondContact OG-N 2.87Å; S273-Y330 VanDerWaalsContact OG-N 3.09Å; Y274-Y330 AromaticContact CD1-CD2 3.86Å; Y274-Y330 HydrophobicContact CD1-CD2 3.86Å; Y274-Y330 AromaticContact CD1-CE2 3.55Å; Y274-Y330 HydrophobicContact CD1-CE2 3.55Å; Y274-Y330 HydrophobicContact CD2-CD2 4.08Å; Y274-Y330 AromaticContact CD2-CE2 3.98Å; Y274-Y330 HydrophobicContact CD2-CE2 3.98Å; Y274-Y330 HydrophobicContact CE1-CD2 4.32Å; Y274-Y330 AromaticContact CE1-CE2 3.54Å; Y274-Y330 HydrophobicContact CE1-CE2 3.54Å; Y274-Y330 AromaticContact CE2-CE2 3.97Å; Y274-Y330 HydrophobicContact CE2-CE2 3.97Å; Y274-Y330 AromaticContact CG-CD2 3.69Å; Y274-Y330 HydrophobicContact CG-CD2 3.69Å; Y274-Y330 AromaticContact CG-CE2 3.74Å; Y274-Y330 HydrophobicContact CG-CE2 3.74Å; Y274-Y330 AromaticContact CZ-CE2 3.72Å; K277-Y330 HydrophobicContact CD-CD1 3.72Å; K277-Y330 HydrophobicContact CD-CD2 4.38Å; K277-Y330 HydrophobicContact CD-CE1 4.24Å; K277-Y330 HydrophobicContact CD-CG 3.81Å; K277-Y330 HydrophobicContact CG-CG 4.49Å; Y330-Q335 PolarHBondContact O-NE2 3.06Å; Y330-Q372 HydrophobicContact CE1-CB 4.25Å; Y330-Q372 HydrophobicContact CE1-CG 4.34Å; Y330-Q372 HydrophobicContact CE2-CG 4.41Å; Y330-A375 HydrophobicContact CD1-CB 3.77Å; Y330-A375 HydrophobicContact CE1-CB 3.67Å; Y330-T376 HydrophobicContact CD1-CG2 4.43Å
331	G	96.4	Very high	96.6	Very high	3 Å²	3	5.3 Å²	5.3	3%	0.031	3%	0.027	C	C	.	.			trans	63.7	-133	-173.4	0	0	0	0	0	112.3	E333 R360 T376	G331-E333 VanDerWaalsContact C-OE2 3.3Å; G331-R360 PolarHBondContact O-NH2 3.16Å; G331-T376 WeakPolarHBondContact CA-OG1 3.29Å; G331-T376 PolarHBondContact N-OG1 2.98Å
332	P	97.8	Very high	96.6	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.035	C	C	.	.	S	Bend	cis	-95.7	7.6	16.2	38.6	-38.1	0	0	0	114.2	Y307 W328 S334 Q335 L336 I356	Y307-P332 HydrophobicContact CD1-CB 4.06Å; Y307-P332 HydrophobicContact CD2-CB 4.47Å; Y307-P332 HydrophobicContact CE1-CB 3.91Å; Y307-P332 HydrophobicContact CE2-CB 4.29Å; Y307-P332 HydrophobicContact CG-CB 4.35Å; W328-P332 VanDerWaalsContact CD2-CD 3.4Å; W328-P332 HydrophobicContact CD2-CG 3.72Å; W328-P332 VanDerWaalsContact CE3-CD 3.46Å; W328-P332 HydrophobicContact CE3-CG 4.14Å; W328-P332 HydrophobicContact CG-CB 4.42Å; W328-P332 HydrophobicContact CG-CG 4.04Å; W328-P332 HydrophobicContact CZ2-CG 4.11Å; P332-S334 PolarHBondContact O-N 3Å; P332-S334 VanDerWaalsContact O-N 3.12Å; P332-Q335 PolarHBondContact O-N 3.28Å; P332-Q335 VanDerWaalsContact O-N 3.1Å; P332-Q335 PolarHBondContact O-OE1 3.31Å; P332-L336 HydrophobicContact CB-CD1 4.34Å; P332-L336 HydrophobicContact CG-CD1 4.06Å; P332-L336 WeakPolarHBondContact O-CG 3.43Å; P332-L336 PolarHBondContact O-N 3.06Å; P332-I356 HydrophobicContact CG-CD1 3.68Å
333	E	98.6	Very high	96.6	Very high	7 Å²	7	8.2 Å²	8.2	3%	0.033	4%	0.042	C	C	.	.	H	α-helix	trans	-54.4	-35.6	-175.1	-64.2	98.5	126.8	0	0	113.1	G331 A337 A353 R357 R360 E380	G331-E333 VanDerWaalsContact C-OE2 3.3Å; E333-A337 WeakPolarHBondContact O-CB 3.46Å; E333-A337 PolarHBondContact O-N 2.88Å; E333-A353 HydrophobicContact CB-CB 3.98Å; E333-A353 HydrophobicContact CG-CB 4.04Å; E333-R357 HydrophobicContact CG-CB 4.5Å; E333-R357 IonicContact OE1-CZ 2.7Å; E333-R357 IonicContact OE1-NE 3.46Å; E333-R357 PolarHBondContact OE1-NE 3.42Å; E333-R357 IonicContact OE1-NH2 3.16Å; E333-R357 PolarHBondContact OE1-NH2 2.77Å; E333-R360 IonicContact OE1-CZ 2.64Å; E333-R360 IonicContact OE1-NE 2.79Å; E333-R360 PolarHBondContact OE1-NE 2.97Å; E333-R360 IonicContact OE1-NH2 3.77Å; E333-R360 PolarHBondContact OE1-NH2 3.2Å; E333-R360 IonicContact OE2-CZ 3.27Å; E333-R360 IonicContact OE2-NE 3.19Å; E333-R360 IonicContact OE2-NH2 2.7Å; E333-R360 PolarHBondContact OE2-NH2 2.89Å; E333-E380 HydrophobicContact CB-CG 4.14Å
334	S	98.8	Very high	96.7	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.014	5%	0.053	C	C	.	.	H	α-helix	trans	-67	-48.3	176.9	-177.4	0	0	0	0	112.4	P332 L336 A337 F338 T376 T379 E380 W383	P332-S334 PolarHBondContact O-N 3Å; P332-S334 VanDerWaalsContact O-N 3.12Å; S334-L336 VanDerWaalsContact C-N 3.29Å; S334-L336 PolarHBondContact O-N 3.26Å; S334-A337 PolarHBondContact O-N 3.41Å; S334-F338 WeakPolarHBondContact O-CB 3.44Å; S334-F338 PolarHBondContact O-N 3.22Å; S334-T376 WeakPolarHBondContact CB-O 3.33Å; S334-T379 VanDerWaalsContact OG-CB 3.29Å; S334-T379 WeakPolarHBondContact OG-CB 3.22Å; S334-T379 PolarHBondContact OG-OG1 3.35Å; S334-E380 PolarHBondContact OG-N 2.88Å; S334-W383 WeakPolarHBondContact OG-CZ3 3.47Å
335	Q	98.8	Very high	96.9	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-63.3	-37	177.1	-59.9	92.7	-50.1	0	0	111.1	S273 A276 T280 Y307 Y330 P332 F338 L339	S273-Q335 PolarHBondContact O-NE2 3.2Å; A276-Q335 HydrophobicContact CB-CG 4.21Å; T280-Q335 HydrophobicContact CG2-CB 4.5Å; T280-Q335 HydrophobicContact CG2-CG 4.45Å; Y307-Q335 HydrophobicContact CE2-CB 3.92Å; Y330-Q335 PolarHBondContact O-NE2 3.06Å; P332-Q335 PolarHBondContact O-N 3.28Å; P332-Q335 VanDerWaalsContact O-N 3.1Å; P332-Q335 PolarHBondContact O-OE1 3.31Å; Q335-F338 PolarHBondContact O-N 2.91Å; Q335-L339 WeakPolarHBondContact O-CB 3.34Å; Q335-L339 VanDerWaalsContact O-CG 3.26Å; Q335-L339 WeakPolarHBondContact O-CG 3.39Å; Q335-L339 PolarHBondContact O-N 3.45Å
336	L	98.8	Very high	97.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-69.8	-40.3	175.8	-71.5	169.5	0	0	0	112.9	F304 Y307 P332 S334 L339 D340 L352 A353 I356	F304-L336 HydrophobicContact CD2-CD2 4.09Å; F304-L336 HydrophobicContact CE2-CD2 4.48Å; Y307-L336 HydrophobicContact CD2-CD2 3.82Å; Y307-L336 HydrophobicContact CD2-CG 4.19Å; Y307-L336 HydrophobicContact CG-CD2 4.41Å; P332-L336 HydrophobicContact CB-CD1 4.34Å; P332-L336 HydrophobicContact CG-CD1 4.06Å; P332-L336 WeakPolarHBondContact O-CG 3.43Å; P332-L336 PolarHBondContact O-N 3.06Å; S334-L336 VanDerWaalsContact C-N 3.29Å; S334-L336 PolarHBondContact O-N 3.26Å; L336-L339 PolarHBondContact O-N 2.93Å; L336-D340 PolarHBondContact O-N 3.04Å; L336-L352 HydrophobicContact CD1-CB 4.12Å; L336-L352 HydrophobicContact CD1-CD2 4.05Å; L336-L352 HydrophobicContact CD1-CG 3.82Å; L336-L352 HydrophobicContact CD2-CD2 3.92Å; L336-L352 HydrophobicContact CD2-CG 4.46Å; L336-A353 HydrophobicContact CB-CB 4.1Å; L336-A353 HydrophobicContact CD1-CB 4.32Å; L336-I356 HydrophobicContact CD1-CD1 3.82Å
337	A	98.6	Very high	97.5	Very high	3 Å²	3	15.9 Å²	15.9	3%	0.025	8%	0.08	C	C	.	.	H	α-helix	trans	-64.3	-40.2	172.8	0	0	0	0	0	111.9	E333 S334 D340 T341	E333-A337 WeakPolarHBondContact O-CB 3.46Å; E333-A337 PolarHBondContact O-N 2.88Å; S334-A337 PolarHBondContact O-N 3.41Å; A337-D340 PolarHBondContact O-N 3.23Å; A337-T341 WeakPolarHBondContact O-CB 3.26Å; A337-T341 PolarHBondContact O-N 3.3Å; A337-T341 PolarHBondContact O-OG1 3.23Å; A337-T341 VanDerWaalsContact O-OG1 3.1Å
338	F	98.8	Very high	97.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-59.6	-52.2	171.8	176.8	-85.3	0	0	0	111.7	T280 V283 F284 L300 S334 Q335 D340 T341 F342 V343 W383	T280-F338 HydrophobicContact CG2-CB 4.22Å; T280-F338 HydrophobicContact CG2-CD1 3.42Å; T280-F338 VanDerWaalsContact CG2-CD1 3.42Å; T280-F338 HydrophobicContact CG2-CD2 4.41Å; T280-F338 HydrophobicContact CG2-CE1 3.86Å; T280-F338 HydrophobicContact CG2-CG 3.76Å; T280-F338 WeakPolarHBondContact O-CE2 3.23Å; V283-F338 HydrophobicContact CB-CZ 3.95Å; V283-F338 HydrophobicContact CG1-CZ 3.79Å; F284-F338 HydrophobicContact CB-CE2 4.15Å; L300-F338 HydrophobicContact CD2-CE1 4.24Å; S334-F338 WeakPolarHBondContact O-CB 3.44Å; S334-F338 PolarHBondContact O-N 3.22Å; Q335-F338 PolarHBondContact O-N 2.91Å; F338-D340 VanDerWaalsContact C-N 3.28Å; F338-D340 PolarHBondContact O-N 2.85Å; F338-T341 PolarHBondContact O-N 3.13Å; F338-F342 HydrophobicContact CB-CD2 4.43Å; F338-F342 HydrophobicContact CD1-CD2 4.46Å; F338-F342 AromaticContact CD2-CD2 3.37Å; F338-F342 HydrophobicContact CD2-CD2 3.37Å; F338-F342 AromaticContact CD2-CE2 3.74Å; F338-F342 HydrophobicContact CD2-CE2 3.74Å; F338-F342 HydrophobicContact CD2-CG 4.41Å; F338-F342 AromaticContact CE2-CD2 3.54Å; F338-F342 HydrophobicContact CE2-CD2 3.54Å; F338-F342 HydrophobicContact CE2-CE2 4.07Å; F338-F342 HydrophobicContact CE2-CG 4.2Å; F338-F342 AromaticContact CG-CD2 3.86Å; F338-F342 HydrophobicContact CG-CD2 3.86Å; F338-F342 HydrophobicContact CG-CE2 4.48Å; F338-F342 HydrophobicContact CZ-CB 4.33Å; F338-F342 HydrophobicContact CZ-CD2 4.16Å; F338-F342 HydrophobicContact CZ-CG 4.48Å; F338-F342 WeakPolarHBondContact O-CB 3.32Å; F338-F342 VanDerWaalsContact O-CD2 3.3Å; F338-F342 WeakPolarHBondContact O-CD2 3.32Å; F338-F342 PolarHBondContact O-N 3.31Å; F338-V343 HydrophobicContact CE1-CG2 4.39Å; F338-W383 HydrophobicContact CB-CD2 4.11Å; F338-W383 HydrophobicContact CB-CE3 3.62Å; F338-W383 HydrophobicContact CB-CZ3 4Å; F338-W383 AromaticContact CD2-CD2 3.9Å; F338-W383 HydrophobicContact CD2-CD2 3.9Å; F338-W383 AromaticContact CD2-CE2 3.92Å; F338-W383 HydrophobicContact CD2-CE3 4.04Å; F338-W383 HydrophobicContact CD2-CG 4.4Å; F338-W383 HydrophobicContact CD2-CH2 4.16Å; F338-W383 HydrophobicContact CD2-CZ2 4.06Å; F338-W383 HydrophobicContact CD2-CZ3 4.16Å; F338-W383 HydrophobicContact CG-CE3 4.28Å; F338-W383 HydrophobicContact CG-CZ3 4.39Å
339	L	98.7	Very high	97.7	Very high	1 Å²	1	16 Å²	16	1%	0.005	8%	0.081	C	C	.	.	I	π-helix	trans	-58.4	-41.6	-179.4	-75.6	175.5	0	0	0	111.1	L300 H303 F304 Q335 L336 V343 L344	L300-L339 HydrophobicContact CD2-CD2 4.18Å; L300-L339 VanDerWaalsContact O-CD2 3.26Å; L300-L339 WeakPolarHBondContact O-CD2 3.16Å; H303-L339 HydrophobicContact CB-CD1 4.38Å; F304-L339 HydrophobicContact CB-CD1 4.38Å; Q335-L339 WeakPolarHBondContact O-CB 3.34Å; Q335-L339 VanDerWaalsContact O-CG 3.26Å; Q335-L339 WeakPolarHBondContact O-CG 3.39Å; Q335-L339 PolarHBondContact O-N 3.45Å; L336-L339 PolarHBondContact O-N 2.93Å; L339-V343 HydrophobicContact CD2-CB 4.38Å; L339-V343 HydrophobicContact CD2-CG2 4.09Å; L339-V343 CarbonylContact O-C 3.58Å; L339-V343 WeakPolarHBondContact O-CA 3.49Å; L339-V343 VanDerWaalsContact O-CB 3.31Å; L339-V343 WeakPolarHBondContact O-CB 3.45Å; L339-V343 PolarHBondContact O-N 3.17Å; L339-L344 HydrophobicContact CB-CD1 4.4Å; L339-L344 PolarHBondContact O-N 2.91Å
340	D	98	Very high	97.9	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	I	π-helix	trans	-66.5	-52	177.2	-145.4	-18.6	0	0	0	112.2	L336 A337 F338 F342 K345 N346 G347 T348 G349 N350 L388	L336-D340 PolarHBondContact O-N 3.04Å; A337-D340 PolarHBondContact O-N 3.23Å; F338-D340 VanDerWaalsContact C-N 3.28Å; F338-D340 PolarHBondContact O-N 2.85Å; D340-F342 PolarHBondContact O-N 3.26Å; D340-K345 WeakPolarHBondContact O-CA 3.44Å; D340-K345 PolarHBondContact O-N 2.77Å; D340-N346 PolarHBondContact OD1-N 3.15Å; D340-G347 PolarHBondContact OD1-N 3.3Å; D340-G347 WeakPolarHBondContact OD2-CA 3.31Å; D340-G347 PolarHBondContact OD2-N 3.44Å; D340-T348 PolarHBondContact OD2-N 2.68Å; D340-T348 VanDerWaalsContact OD2-N 3.12Å; D340-G349 WeakPolarHBondContact OD2-CA 3.19Å; D340-G349 PolarHBondContact OD2-N 2.98Å; D340-N350 WeakPolarHBondContact OD2-CB 3.21Å; D340-N350 PolarHBondContact OD2-N 3.1Å; D340-L388 HydrophobicContact CB-CD1 4.29Å; D340-L388 WeakPolarHBondContact O-CD1 3.35Å
341	T	98.3	Very high	97.9	Very high	22 Å²	22	16.9 Å²	16.9	14%	0.135	8%	0.084	C	C	.	.	I	π-helix	trans	-63.7	-39.6	-175.7	-65.3	0	0	0	0	113.3	A337 F338 K345 W383 N385	A337-T341 WeakPolarHBondContact O-CB 3.26Å; A337-T341 PolarHBondContact O-N 3.3Å; A337-T341 PolarHBondContact O-OG1 3.23Å; A337-T341 VanDerWaalsContact O-OG1 3.1Å; F338-T341 PolarHBondContact O-N 3.13Å; T341-K345 WeakPolarHBondContact O-CE 3.29Å; T341-W383 WeakPolarHBondContact CB-O 3.31Å; T341-W383 PolarHBondContact OG1-O 2.9Å; T341-N385 HydrophobicContact CG2-CB 3.91Å; T341-N385 WeakPolarHBondContact OG1-CB 3.4Å; T341-N385 PolarHBondContact OG1-N 2.98Å
342	F	97.8	Very high	98	Very high	37 Å²	37	16.7 Å²	16.7	16%	0.162	8%	0.083	C	C	.	.	I	π-helix	trans	-104.8	-28.8	-170.7	-60	-68.1	0	0	0	113.9	F284 M295 F338 D340 K345 W383	F284-F342 HydrophobicContact CD2-CE1 4.42Å; F284-F342 HydrophobicContact CD2-CE2 4.07Å; F284-F342 AromaticContact CD2-CZ 3.78Å; F284-F342 HydrophobicContact CD2-CZ 3.78Å; F284-F342 HydrophobicContact CE2-CE1 4.37Å; F284-F342 HydrophobicContact CE2-CE2 4.4Å; F284-F342 AromaticContact CE2-CZ 3.74Å; F284-F342 HydrophobicContact CE2-CZ 3.74Å; M295-F342 HydrophobicContact CE-CB 4.21Å; M295-F342 HydrophobicContact CE-CD1 3.65Å; M295-F342 HydrophobicContact CE-CE1 4.46Å; M295-F342 HydrophobicContact CE-CG 4.2Å; M295-F342 HydrophobicContact CG-CB 4.34Å; M295-F342 HydrophobicContact SD-CB 3.85Å; M295-F342 HydrophobicContact SD-CD1 4.13Å; M295-F342 HydrophobicContact SD-CG 4.42Å; F338-F342 HydrophobicContact CB-CD2 4.43Å; F338-F342 HydrophobicContact CD1-CD2 4.46Å; F338-F342 AromaticContact CD2-CD2 3.37Å; F338-F342 HydrophobicContact CD2-CD2 3.37Å; F338-F342 AromaticContact CD2-CE2 3.74Å; F338-F342 HydrophobicContact CD2-CE2 3.74Å; F338-F342 HydrophobicContact CD2-CG 4.41Å; F338-F342 AromaticContact CE2-CD2 3.54Å; F338-F342 HydrophobicContact CE2-CD2 3.54Å; F338-F342 HydrophobicContact CE2-CE2 4.07Å; F338-F342 HydrophobicContact CE2-CG 4.2Å; F338-F342 AromaticContact CG-CD2 3.86Å; F338-F342 HydrophobicContact CG-CD2 3.86Å; F338-F342 HydrophobicContact CG-CE2 4.48Å; F338-F342 HydrophobicContact CZ-CB 4.33Å; F338-F342 HydrophobicContact CZ-CD2 4.16Å; F338-F342 HydrophobicContact CZ-CG 4.48Å; F338-F342 WeakPolarHBondContact O-CB 3.32Å; F338-F342 VanDerWaalsContact O-CD2 3.3Å; F338-F342 WeakPolarHBondContact O-CD2 3.32Å; F338-F342 PolarHBondContact O-N 3.31Å; D340-F342 PolarHBondContact O-N 3.26Å; F342-K345 VanDerWaalsContact O-CE 3.23Å; F342-K345 WeakPolarHBondContact O-CE 3.38Å; F342-K345 PolarHBondContact O-NZ 2.81Å; F342-W383 HydrophobicContact CE2-CB 4.15Å; F342-W383 AromaticContact CE2-CD1 3.72Å; F342-W383 AromaticContact CE2-CG 3.96Å; F342-W383 HydrophobicContact CE2-CG 3.96Å
343	V	97.3	Very high	98.1	Very high	25 Å²	25	17.1 Å²	17.1	15%	0.152	9%	0.086	C	C	.	.	I	π-helix	trans	-115.2	-60.7	-169.8	-170.7	0	0	0	0	112.8	L300 R301 F338 L339	L300-V343 HydrophobicContact CB-CG1 4.41Å; L300-V343 HydrophobicContact CB-CG2 4.22Å; R301-V343 HydrophobicContact CB-CG1 4.43Å; R301-V343 HydrophobicContact CG-CG1 3.73Å; F338-V343 HydrophobicContact CE1-CG2 4.39Å; L339-V343 HydrophobicContact CD2-CB 4.38Å; L339-V343 HydrophobicContact CD2-CG2 4.09Å; L339-V343 CarbonylContact O-C 3.58Å; L339-V343 WeakPolarHBondContact O-CA 3.49Å; L339-V343 VanDerWaalsContact O-CB 3.31Å; L339-V343 WeakPolarHBondContact O-CB 3.45Å; L339-V343 PolarHBondContact O-N 3.17Å
344	L	96.2	Very high	98	Very high	43 Å²	43	19.9 Å²	19.9	23%	0.225	10%	0.099	C	C	.	.	I	π-helix	trans	-80.1	-40.8	-172.1	-52.1	174.8	0	0	0	113.1	F304 L339 N346	F304-L344 HydrophobicContact CB-CD1 3.98Å; F304-L344 HydrophobicContact CB-CD2 4.39Å; F304-L344 HydrophobicContact CD2-CD1 3.95Å; F304-L344 HydrophobicContact CG-CD1 4.01Å; L339-L344 HydrophobicContact CB-CD1 4.4Å; L339-L344 PolarHBondContact O-N 2.91Å; L344-N346 VanDerWaalsContact C-N 3.28Å; L344-N346 PolarHBondContact O-N 2.82Å
345	K	96.9	Very high	98	Very high	115 Å²	115	21.5 Å²	21.5	50%	0.5	11%	0.107	S	C	.	.			trans	51.5	42	177.9	-68.2	159.5	173.9	149.2	0	113.2	D340 T341 F342	D340-K345 WeakPolarHBondContact O-CA 3.44Å; D340-K345 PolarHBondContact O-N 2.77Å; T341-K345 WeakPolarHBondContact O-CE 3.29Å; F342-K345 VanDerWaalsContact O-CE 3.23Å; F342-K345 WeakPolarHBondContact O-CE 3.38Å; F342-K345 PolarHBondContact O-NZ 2.81Å
346	N	96.5	Very high	97.9	Very high	65 Å²	65	21.4 Å²	21.4	35%	0.348	11%	0.106	S	C	.	.	S	Bend	trans	-137.5	-3.4	-169.4	70.2	3.6	0	0	0	116	D340 L344 T348 Q391	D340-N346 PolarHBondContact OD1-N 3.15Å; L344-N346 VanDerWaalsContact C-N 3.28Å; L344-N346 PolarHBondContact O-N 2.82Å; N346-T348 WeakPolarHBondContact OD1-CB 3.44Å; N346-T348 PolarHBondContact OD1-N 3.25Å; N346-T348 PolarHBondContact OD1-OG1 2.96Å; N346-T348 VanDerWaalsContact OD1-OG1 3.12Å; N346-Q391 WeakPolarHBondContact O-CG 3.28Å; N346-Q391 PolarHBondContact O-NE2 3.02Å
347	G	97.8	Very high	97.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	87.9	-3.7	178.9	0	0	0	0	0	115.2	D340 W351 T389 P390 Q391	D340-G347 PolarHBondContact OD1-N 3.3Å; D340-G347 WeakPolarHBondContact OD2-CA 3.31Å; D340-G347 PolarHBondContact OD2-N 3.44Å; G347-W351 WeakPolarHBondContact O-CB 3.48Å; G347-W351 PolarHBondContact O-N 2.86Å; G347-T389 WeakPolarHBondContact CA-O 3.38Å; G347-P390 WeakPolarHBondContact O-CA 3.46Å; G347-Q391 PolarHBondContact O-N 2.98Å; G347-Q391 VanDerWaalsContact O-N 3.15Å
348	T	97.9	Very high	97.6	Very high	10 Å²	10	30.9 Å²	30.9	6%	0.061	15%	0.145	C	C	.	.	H	α-helix	trans	-79.8	-31.5	-174.9	-49	0	0	0	0	113.2	F304 D340 N346 L352 Q391 P393	F304-T348 HydrophobicContact CE1-CG2 4.14Å; F304-T348 HydrophobicContact CE2-CG2 3.81Å; F304-T348 HydrophobicContact CZ-CG2 3.46Å; F304-T348 VanDerWaalsContact CZ-CG2 3.46Å; D340-T348 PolarHBondContact OD2-N 2.68Å; D340-T348 VanDerWaalsContact OD2-N 3.12Å; N346-T348 WeakPolarHBondContact OD1-CB 3.44Å; N346-T348 PolarHBondContact OD1-N 3.25Å; N346-T348 PolarHBondContact OD1-OG1 2.96Å; N346-T348 VanDerWaalsContact OD1-OG1 3.12Å; T348-L352 PolarHBondContact O-N 3.11Å; T348-L352 VanDerWaalsContact O-N 3.08Å; T348-Q391 VanDerWaalsContact CA-O 3.31Å; T348-Q391 WeakPolarHBondContact CA-O 3.24Å; T348-P393 HydrophobicContact CG2-CB 3.88Å; T348-P393 HydrophobicContact CG2-CG 4.29Å
349	G	98	Very high	97.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-69.4	-44.9	172.5	0	0	0	0	0	111.3	D340 W351 L352 A353	D340-G349 WeakPolarHBondContact OD2-CA 3.19Å; D340-G349 PolarHBondContact OD2-N 2.98Å; G349-W351 VanDerWaalsContact C-N 3.32Å; G349-W351 PolarHBondContact O-N 2.89Å; G349-L352 PolarHBondContact O-N 3.4Å; G349-A353 WeakPolarHBondContact O-CB 3.41Å; G349-A353 PolarHBondContact O-N 2.82Å
350	N	98.2	Very high	97.3	Very high	1 Å²	1	35 Å²	35	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-56.5	-44.4	173.1	-78.6	-11	0	0	0	111.7	D340 Q354 Y384 N385 L388 P390	D340-N350 WeakPolarHBondContact OD2-CB 3.21Å; D340-N350 PolarHBondContact OD2-N 3.1Å; N350-Q354 VanDerWaalsContact O-CG 3.3Å; N350-Q354 WeakPolarHBondContact O-CG 3.47Å; N350-Q354 PolarHBondContact O-N 3.15Å; N350-Q354 VanDerWaalsContact O-N 3.08Å; N350-Y384 HydrophobicContact CB-CE2 4.42Å; N350-Y384 WeakPolarHBondContact OD1-CD2 3.44Å; N350-N385 PolarHBondContact ND2-O 3.03Å; N350-L388 PolarHBondContact ND2-O 3.38Å; N350-P390 HydrophobicContact CB-CB 4.42Å; N350-P390 HydrophobicContact CB-CG 4.26Å
351	W	98.5	Very high	96.9	Very high	19 Å²	19	35.9 Å²	35.9	7%	0.072	17%	0.168	C	C	.	.	H	α-helix	trans	-63	-46.3	176.2	171.9	90.5	0	0	0	112.6	Y308 F315 G347 G349 Q354 Q355 P390 Q391 P392 P393 F396	Y308-W351 HydrophobicContact CD2-CZ3 4.22Å; Y308-W351 HydrophobicContact CE2-CH2 4.15Å; Y308-W351 AromaticContact CE2-CZ3 3.9Å; Y308-W351 HydrophobicContact CE2-CZ3 3.9Å; F315-W351 AromaticContact CE1-CH2 3.9Å; F315-W351 HydrophobicContact CE1-CH2 3.9Å; F315-W351 HydrophobicContact CE1-CZ2 4.47Å; F315-W351 HydrophobicContact CZ-CH2 4.23Å; F315-W351 HydrophobicContact CZ-CZ2 4.45Å; G347-W351 WeakPolarHBondContact O-CB 3.48Å; G347-W351 PolarHBondContact O-N 2.86Å; G349-W351 VanDerWaalsContact C-N 3.32Å; G349-W351 PolarHBondContact O-N 2.89Å; W351-Q354 PolarHBondContact O-N 2.67Å; W351-Q355 HydrophobicContact CD2-CG 4.04Å; W351-Q355 HydrophobicContact CE3-CG 4.45Å; W351-Q355 HydrophobicContact CH2-CG 4.03Å; W351-Q355 HydrophobicContact CZ2-CG 3.59Å; W351-Q355 HydrophobicContact CZ3-CG 4.44Å; W351-Q355 WeakPolarHBondContact O-CG 3.24Å; W351-Q355 PolarHBondContact O-N 3.19Å; W351-P390 HydrophobicContact CB-CB 4.09Å; W351-Q391 WeakPolarHBondContact CB-O 3.34Å; W351-P392 HydrophobicContact CD2-CB 4.04Å; W351-P392 HydrophobicContact CE3-CB 4.49Å; W351-P392 HydrophobicContact CH2-CB 4.32Å; W351-P392 HydrophobicContact CZ2-CB 3.81Å; W351-P393 VanDerWaalsContact CZ3-CD 3.48Å; W351-P393 HydrophobicContact CZ3-CG 4.34Å; W351-F396 AromaticContact CH2-CD2 3.57Å; W351-F396 HydrophobicContact CH2-CD2 3.57Å; W351-F396 AromaticContact CH2-CE2 3.51Å; W351-F396 HydrophobicContact CH2-CE2 3.51Å; W351-F396 HydrophobicContact CH2-CG 4.31Å; W351-F396 HydrophobicContact CH2-CZ 4.2Å; W351-F396 HydrophobicContact CZ2-CD1 4.41Å; W351-F396 AromaticContact CZ2-CD2 3.82Å; W351-F396 HydrophobicContact CZ2-CD2 3.82Å; W351-F396 HydrophobicContact CZ2-CE1 4.2Å; W351-F396 AromaticContact CZ2-CE2 3.59Å; W351-F396 HydrophobicContact CZ2-CE2 3.59Å; W351-F396 HydrophobicContact CZ2-CG 4.24Å; W351-F396 AromaticContact CZ2-CZ 3.8Å; W351-F396 HydrophobicContact CZ2-CZ 3.8Å
352	L	98.6	Very high	96.4	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67.3	-40	-178.6	-176.6	56.6	0	0	0	111.3	F304 Y308 L311 F315 L336 T348 G349 Q354 Q355 I356	F304-L352 HydrophobicContact CD2-CD2 4.45Å; F304-L352 HydrophobicContact CE2-CB 4.19Å; F304-L352 HydrophobicContact CE2-CD2 3.74Å; F304-L352 HydrophobicContact CZ-CD2 4.21Å; Y308-L352 HydrophobicContact CD2-CD1 4.24Å; Y308-L352 HydrophobicContact CD2-CD2 4.2Å; L311-L352 HydrophobicContact CD2-CD1 3.83Å; F315-L352 HydrophobicContact CD1-CD1 4.27Å; F315-L352 HydrophobicContact CE1-CD1 4.49Å; L336-L352 HydrophobicContact CD1-CB 4.12Å; L336-L352 HydrophobicContact CD1-CD2 4.05Å; L336-L352 HydrophobicContact CD1-CG 3.82Å; L336-L352 HydrophobicContact CD2-CD2 3.92Å; L336-L352 HydrophobicContact CD2-CG 4.46Å; T348-L352 PolarHBondContact O-N 3.11Å; T348-L352 VanDerWaalsContact O-N 3.08Å; G349-L352 PolarHBondContact O-N 3.4Å; L352-Q354 VanDerWaalsContact C-N 3.27Å; L352-Q354 PolarHBondContact O-N 2.9Å; L352-Q355 PolarHBondContact O-N 2.77Å; L352-I356 HydrophobicContact CD1-CD1 4.12Å; L352-I356 HydrophobicContact CD1-CG1 4.21Å; L352-I356 HydrophobicContact CG-CD1 3.94Å; L352-I356 HydrophobicContact CG-CG1 4.47Å; L352-I356 WeakPolarHBondContact O-CG1 3.3Å; L352-I356 PolarHBondContact O-N 2.96Å
353	A	98.4	Very high	95.5	Very high	9 Å²	9	48.7 Å²	48.7	7%	0.074	23%	0.229	C	C	.	.	H	α-helix	trans	-57.4	-41.1	172.3	0	0	0	0	0	111.7	E333 L336 G349 R357	E333-A353 HydrophobicContact CB-CB 3.98Å; E333-A353 HydrophobicContact CG-CB 4.04Å; L336-A353 HydrophobicContact CB-CB 4.1Å; L336-A353 HydrophobicContact CD1-CB 4.32Å; G349-A353 WeakPolarHBondContact O-CB 3.41Å; G349-A353 PolarHBondContact O-N 2.82Å; A353-R357 VanDerWaalsContact O-CB 3.23Å; A353-R357 WeakPolarHBondContact O-CB 3.47Å; A353-R357 PolarHBondContact O-N 3.16Å
354	Q	97.4	Very high	94.8	Very high	64 Å²	64	49.9 Å²	49.9	30%	0.299	25%	0.246	S	C	.	.	H	α-helix	trans	-68.5	-39.4	175.4	-72.4	176.7	10.5	0	0	113.1	N350 W351 L352 K358	N350-Q354 VanDerWaalsContact O-CG 3.3Å; N350-Q354 WeakPolarHBondContact O-CG 3.47Å; N350-Q354 PolarHBondContact O-N 3.15Å; N350-Q354 VanDerWaalsContact O-N 3.08Å; W351-Q354 PolarHBondContact O-N 2.67Å; L352-Q354 VanDerWaalsContact C-N 3.27Å; L352-Q354 PolarHBondContact O-N 2.9Å; Q354-K358 VanDerWaalsContact O-CB 3.23Å; Q354-K358 WeakPolarHBondContact O-CB 3.34Å; Q354-K358 PolarHBondContact O-N 3.38Å
355	Q	97.9	Very high	94	Very high	36 Å²	36	51.2 Å²	51.2	17%	0.168	26%	0.258	C	S	.	.	H	α-helix	trans	-65.7	-44.4	174.7	-61.4	-43.7	-44.3	0	0	111.9	F315 W351 L352 K358 H359	F315-Q355 HydrophobicContact CD1-CB 3.59Å; F315-Q355 HydrophobicContact CD1-CG 4.3Å; F315-Q355 HydrophobicContact CD2-CB 4.3Å; F315-Q355 HydrophobicContact CE1-CB 3.77Å; F315-Q355 HydrophobicContact CE1-CG 3.95Å; F315-Q355 HydrophobicContact CE2-CB 4.44Å; F315-Q355 HydrophobicContact CG-CB 3.9Å; F315-Q355 HydrophobicContact CZ-CB 4.2Å; F315-Q355 HydrophobicContact CZ-CG 4.11Å; W351-Q355 HydrophobicContact CD2-CG 4.04Å; W351-Q355 HydrophobicContact CE3-CG 4.45Å; W351-Q355 HydrophobicContact CH2-CG 4.03Å; W351-Q355 HydrophobicContact CZ2-CG 3.59Å; W351-Q355 HydrophobicContact CZ3-CG 4.44Å; W351-Q355 WeakPolarHBondContact O-CG 3.24Å; W351-Q355 PolarHBondContact O-N 3.19Å; L352-Q355 PolarHBondContact O-N 2.77Å; Q355-K358 PolarHBondContact O-N 3.48Å; Q355-H359 PolarHBondContact O-N 3.03Å; Q355-H359 PolarHBondContact O-ND1 2.77Å
356	I	97.8	Very high	93.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.7	-50.9	176.9	-68.3	170.5	0	0	0	109.5	L311 W328 P332 L336 L352 K358 H359 R360	L311-I356 HydrophobicContact CD2-CD1 4.44Å; L311-I356 HydrophobicContact CD2-CG1 4.26Å; W328-I356 HydrophobicContact CE3-CG2 4.35Å; W328-I356 HydrophobicContact CH2-CB 4.4Å; W328-I356 HydrophobicContact CH2-CD1 3.6Å; W328-I356 HydrophobicContact CH2-CG1 3.74Å; W328-I356 HydrophobicContact CH2-CG2 3.79Å; W328-I356 HydrophobicContact CZ2-CD1 3.73Å; W328-I356 HydrophobicContact CZ2-CG1 4.34Å; W328-I356 HydrophobicContact CZ3-CD1 4.33Å; W328-I356 HydrophobicContact CZ3-CG1 4.38Å; W328-I356 HydrophobicContact CZ3-CG2 3.52Å; P332-I356 HydrophobicContact CG-CD1 3.68Å; L336-I356 HydrophobicContact CD1-CD1 3.82Å; L352-I356 HydrophobicContact CD1-CD1 4.12Å; L352-I356 HydrophobicContact CD1-CG1 4.21Å; L352-I356 HydrophobicContact CG-CD1 3.94Å; L352-I356 HydrophobicContact CG-CG1 4.47Å; L352-I356 WeakPolarHBondContact O-CG1 3.3Å; L352-I356 PolarHBondContact O-N 2.96Å; I356-K358 VanDerWaalsContact C-N 3.32Å; I356-K358 PolarHBondContact O-N 3.11Å; I356-H359 PolarHBondContact O-N 2.95Å; I356-R360 WeakPolarHBondContact O-CA 3.4Å; I356-R360 VanDerWaalsContact O-CB 3.31Å; I356-R360 WeakPolarHBondContact O-CB 3.49Å; I356-R360 PolarHBondContact O-N 3.35Å
357	R	95.5	Very high	93	Very high	52 Å²	52	45.2 Å²	45.2	20%	0.196	24%	0.235	C	C	.	.	H	α-helix	trans	-55.8	-42.4	176.8	176.5	147.7	-65.1	168.1	11.2	113.5	E333 A353 E380	E333-R357 HydrophobicContact CG-CB 4.5Å; E333-R357 IonicContact OE1-CZ 2.7Å; E333-R357 IonicContact OE1-NE 3.46Å; E333-R357 PolarHBondContact OE1-NE 3.42Å; E333-R357 IonicContact OE1-NH2 3.16Å; E333-R357 PolarHBondContact OE1-NH2 2.77Å; A353-R357 VanDerWaalsContact O-CB 3.23Å; A353-R357 WeakPolarHBondContact O-CB 3.47Å; A353-R357 PolarHBondContact O-N 3.16Å; R357-E380 IonicContact CZ-OE1 2.85Å; R357-E380 VanDerWaalsContact CZ-OE1 3.24Å; R357-E380 IonicContact CZ-OE2 3.34Å; R357-E380 IonicContact NH1-OE1 3.35Å; R357-E380 PolarHBondContact NH1-OE1 3.2Å; R357-E380 IonicContact NH1-OE2 2.7Å; R357-E380 PolarHBondContact NH1-OE2 3.32Å; R357-E380 VanDerWaalsContact NH2-CD 3.34Å; R357-E380 IonicContact NH2-OE1 3.27Å; R357-E380 PolarHBondContact NH2-OE1 2.81Å; R357-E380 IonicContact NH2-OE2 3.56Å; R357-E380 PolarHBondContact NH2-OE2 2.85Å
358	K	96	Very high	92.5	Very high	150 Å²	150	47.5 Å²	47.5	65%	0.652	25%	0.246	S	C	*	.	H	α-helix	trans	-63.8	-40	-179	176.2	-177.6	169.8	-126.5	0	112.5	Q354 Q355 I356	Q354-K358 VanDerWaalsContact O-CB 3.23Å; Q354-K358 WeakPolarHBondContact O-CB 3.34Å; Q354-K358 PolarHBondContact O-N 3.38Å; Q355-K358 PolarHBondContact O-N 3.48Å; I356-K358 VanDerWaalsContact C-N 3.32Å; I356-K358 PolarHBondContact O-N 3.11Å
359	H	96.1	Very high	92	Very high	48 Å²	48	48.7 Å²	48.7	22%	0.222	26%	0.255	C	S	.	.	H	α-helix	trans	-100.1	-10.6	-174.1	-52.6	101.3	0	0	0	113.5	G314 F315 Q316 Q355 I356	G314-H359 WeakPolarHBondContact O-CB 3.1Å; F315-H359 HydrophobicContact CB-CB 4.26Å; F315-H359 AromaticContact CD2-CE1 3.62Å; F315-H359 AromaticContact CD2-ND1 3.48Å; F315-H359 WeakPolarHBondContact CD2-ND1 3.21Å; F315-H359 AromaticContact CG-ND1 3.91Å; Q316-H359 HydrophobicContact CG-CB 4.15Å; Q316-H359 VanDerWaalsContact CG-O 3.29Å; Q316-H359 WeakPolarHBondContact CG-O 3.26Å; Q316-H359 PolarHBondContact NE2-O 2.98Å; Q355-H359 PolarHBondContact O-N 3.03Å; Q355-H359 PolarHBondContact O-ND1 2.77Å; I356-H359 PolarHBondContact O-N 2.95Å
360	R	93.7	Very high	91.6	Very high	39 Å²	39	51.7 Å²	51.7	15%	0.147	28%	0.276	C	S	.	.			trans	-42.9	121.3	-178	-175.9	170.1	-77.5	-69.9	13.6	112.3	G331 E333 I356 K362	G331-R360 PolarHBondContact O-NH2 3.16Å; E333-R360 IonicContact OE1-CZ 2.64Å; E333-R360 IonicContact OE1-NE 2.79Å; E333-R360 PolarHBondContact OE1-NE 2.97Å; E333-R360 IonicContact OE1-NH2 3.77Å; E333-R360 PolarHBondContact OE1-NH2 3.2Å; E333-R360 IonicContact OE2-CZ 3.27Å; E333-R360 IonicContact OE2-NE 3.19Å; E333-R360 IonicContact OE2-NH2 2.7Å; E333-R360 PolarHBondContact OE2-NH2 2.89Å; I356-R360 WeakPolarHBondContact O-CA 3.4Å; I356-R360 VanDerWaalsContact O-CB 3.31Å; I356-R360 WeakPolarHBondContact O-CB 3.49Å; I356-R360 PolarHBondContact O-N 3.35Å; R360-K362 PolarHBondContact O-N 2.99Å
361	P	91.3	Very high	91.2	Very high	18 Å²	18	52.3 Å²	52.3	12%	0.117	28%	0.28	C	S	.	.			trans	-58.4	132	-179.5	-27.1	36.4	0	0	0	112.3	Q316 M366	Q316-P361 HydrophobicContact CB-CG 4.15Å; Q316-P361 HydrophobicContact CG-CG 4.05Å; P361-M366 HydrophobicContact CB-CB 3.9Å; P361-M366 HydrophobicContact CG-CB 3.72Å; P361-M366 HydrophobicContact CG-CE 4.21Å; P361-M366 HydrophobicContact CG-SD 4.4Å
362	K	85.8	Confident	91	Very high	192 Å²	192	51.9 Å²	51.9	84%	0.835	28%	0.279	S	S	*	.			trans	-83.5	-41.2	178.7	-63.1	-178.7	-178.1	177.6	0	112	R360	R360-K362 PolarHBondContact O-N 2.99Å
363	D	79.5	Confident	90.7	Very high	136 Å²	136	55.4 Å²	55.4	73%	0.727	29%	0.293	S	S	*	.	S	Bend	trans	-136.4	176.8	-170.6	-58.7	-77.6	0	0	0	110.7
364	G	83.6	Confident	90.7	Very high	51 Å²	51	56 Å²	56	53%	0.526	29%	0.293	S	S	.	.	S	Bend	trans	79.1	-168.4	176.9	0	0	0	0	0	114.7	M366 G367	G364-M366 VanDerWaalsContact C-N 3.28Å; G364-M366 PolarHBondContact O-N 2.92Å; G364-G367 PolarHBondContact O-N 3.2Å
365	P	79.4	Confident	90.7	Very high	71 Å²	71	53.3 Å²	53.3	46%	0.461	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-24.9	-171.7	26.3	-34.4	0	0	0	113.8	Y326	Y326-P365 VanDerWaalsContact CD2-O 3.27Å; Y326-P365 WeakPolarHBondContact CD2-O 3.28Å; Y326-P365 HydrophobicContact CE2-CB 3.88Å; Y326-P365 WeakPolarHBondContact CE2-O 3.4Å
366	M	86.1	Confident	90.7	Very high	34 Å²	34	52 Å²	52	17%	0.167	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-5.3	178.4	-55.3	-177.4	-75.5	0	0	114.2	R317 Y326 P361 G364	R317-M366 HydrophobicContact CG-SD 3.72Å; R317-M366 PolarHBondContact NE-SD 2.84Å; Y326-M366 HydrophobicContact CD1-CG 4.01Å; Y326-M366 HydrophobicContact CD2-CG 4.31Å; Y326-M366 HydrophobicContact CG-CB 4.41Å; Y326-M366 HydrophobicContact CG-CG 3.87Å; P361-M366 HydrophobicContact CB-CB 3.9Å; P361-M366 HydrophobicContact CG-CB 3.72Å; P361-M366 HydrophobicContact CG-CE 4.21Å; P361-M366 HydrophobicContact CG-SD 4.4Å; G364-M366 VanDerWaalsContact C-N 3.28Å; G364-M366 PolarHBondContact O-N 2.92Å
367	G	85.7	Confident	90.8	Very high	20 Å²	20	52.2 Å²	52.2	21%	0.206	28%	0.277	C	S	.	.	S	Bend	trans	-65.2	136.8	177.5	0	0	0	0	0	111.6	G364	G364-G367 PolarHBondContact O-N 3.2Å
368	Q	86.7	Confident	90.9	Very high	47 Å²	47	50.1 Å²	50.1	22%	0.22	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-59.8	149.2	-177.6	-67.2	179.1	-75.6	0	0	112.7	S370 R373	Q368-S370 PolarHBondContact O-N 3.41Å; Q368-R373 HydrophobicContact CB-CB 3.61Å; Q368-R373 HydrophobicContact CG-CB 4.35Å
369	S	88.4	Confident	91.1	Very high	36 Å²	36	43 Å²	43	25%	0.252	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-56.8	134.1	170.3	-179.9	0	0	0	0	111.3	A371 Q372 R373	S369-A371 PolarHBondContact O-N 3.04Å; S369-A371 PolarHBondContact OG-N 2.79Å; S369-Q372 PolarHBondContact O-N 3.03Å; S369-R373 WeakPolarHBondContact O-CB 3.3Å; S369-R373 WeakPolarHBondContact O-CG 3.49Å; S369-R373 PolarHBondContact O-N 2.68Å
370	S	89.1	Confident	91.2	Very high	63 Å²	63	41 Å²	41	44%	0.441	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.9	174.1	49.9	0	0	0	0	112.9	Q368	Q368-S370 PolarHBondContact O-N 3.41Å
371	A	90.1	Very high	91.4	Very high	13 Å²	13	39.2 Å²	39.2	11%	0.107	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-20.8	177.1	0	0	0	0	0	114.1	E111 I112 N115 S369	E111-A371 HydrophobicContact CG-CB 3.87Å; I112-A371 HydrophobicContact CB-CB 3.81Å; I112-A371 HydrophobicContact CG1-CB 4.41Å; N115-A371 WeakPolarHBondContact CB-O 3.41Å; N115-A371 PolarHBondContact ND2-O 2.87Å; S369-A371 PolarHBondContact O-N 3.04Å; S369-A371 PolarHBondContact OG-N 2.79Å
372	Q	93.5	Very high	91.8	Very high	10 Å²	10	39.4 Å²	39.4	5%	0.047	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-33.3	-164.9	-61.1	168.1	-13.9	0	0	112.9	E111 F329 Y330 S369 W374 A375	E111-Q372 WeakPolarHBondContact OE1-CG 3.47Å; E111-Q372 PolarHBondContact OE1-NE2 3.31Å; F329-Q372 WeakPolarHBondContact O-CB 3.22Å; Y330-Q372 HydrophobicContact CE1-CB 4.25Å; Y330-Q372 HydrophobicContact CE1-CG 4.34Å; Y330-Q372 HydrophobicContact CE2-CG 4.41Å; S369-Q372 PolarHBondContact O-N 3.03Å; Q372-W374 PolarHBondContact O-N 3.22Å; Q372-A375 WeakPolarHBondContact O-CB 3.38Å; Q372-A375 PolarHBondContact O-N 3.29Å
373	R	93.9	Very high	92.4	Very high	74 Å²	74	30.4 Å²	30.4	28%	0.279	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-20.2	-168.5	65.7	178.6	-173.5	-171.5	-0.2	117.4	Y96 Q368 S369	Y96-R373 PolarHBondContact OH-NH2 3.45Å; Q368-R373 HydrophobicContact CB-CB 3.61Å; Q368-R373 HydrophobicContact CG-CB 4.35Å; S369-R373 WeakPolarHBondContact O-CB 3.3Å; S369-R373 WeakPolarHBondContact O-CG 3.49Å; S369-R373 PolarHBondContact O-N 2.68Å
374	W	97.5	Very high	93.3	Very high	22 Å²	22	24.9 Å²	24.9	8%	0.083	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-9.5	-177.1	-63.2	-29.9	0	0	0	114.1	A85 T88 M89 Y96 P119 Q372 T376 L377	A85-W374 HydrophobicContact CB-CD2 3.59Å; A85-W374 VanDerWaalsContact CB-CE2 3.42Å; A85-W374 HydrophobicContact CB-CE3 4.14Å; A85-W374 HydrophobicContact CB-CG 3.86Å; A85-W374 HydrophobicContact CB-CH2 4.31Å; A85-W374 HydrophobicContact CB-CZ2 3.81Å; A85-W374 HydrophobicContact CB-CZ3 4.47Å; T88-W374 HydrophobicContact CG2-CH2 3.84Å; T88-W374 HydrophobicContact CG2-CZ2 4.24Å; M89-W374 HydrophobicContact CE-CD2 4.4Å; M89-W374 HydrophobicContact CE-CE3 3.47Å; M89-W374 VanDerWaalsContact CE-CE3 3.47Å; M89-W374 HydrophobicContact CE-CZ3 3.63Å; M89-W374 HydrophobicContact CG-CH2 4.37Å; M89-W374 HydrophobicContact CG-CZ3 3.8Å; Y96-W374 AromaticContact CD1-CZ3 3.96Å; Y96-W374 HydrophobicContact CD1-CZ3 3.96Å; Y96-W374 AromaticContact CE1-CH2 3.85Å; Y96-W374 HydrophobicContact CE1-CH2 3.85Å; Y96-W374 AromaticContact CE1-CZ3 3.47Å; Y96-W374 HydrophobicContact CE1-CZ3 3.47Å; Y96-W374 VanDerWaalsContact CE1-CZ3 3.47Å; Y96-W374 AromaticContact CZ-CH2 3.86Å; Y96-W374 AromaticContact CZ-CZ3 3.98Å; P119-W374 HydrophobicContact CG-CB 4.49Å; Q372-W374 PolarHBondContact O-N 3.22Å; W374-T376 VanDerWaalsContact C-N 3.27Å; W374-T376 PolarHBondContact O-N 2.81Å; W374-T376 VanDerWaalsContact O-N 3.12Å; W374-L377 HydrophobicContact CB-CD1 3.97Å; W374-L377 HydrophobicContact CG-CD1 4.08Å; W374-L377 WeakPolarHBondContact O-CG 3.23Å; W374-L377 PolarHBondContact O-N 2.93Å; W374-L377 VanDerWaalsContact O-N 3.16Å
375	A	97.8	Very high	94	Very high	8 Å²	8	24.5 Å²	24.5	7%	0.066	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-41.5	-169.8	0	0	0	0	0	113.8	N115 Y330 Q372 H378	N115-A375 HydrophobicContact CB-CB 3.75Å; N115-A375 WeakPolarHBondContact O-CA 3.4Å; N115-A375 WeakPolarHBondContact OD1-CB 3.28Å; Y330-A375 HydrophobicContact CD1-CB 3.77Å; Y330-A375 HydrophobicContact CE1-CB 3.67Å; Q372-A375 WeakPolarHBondContact O-CB 3.38Å; Q372-A375 PolarHBondContact O-N 3.29Å; A375-H378 PolarHBondContact O-CE1 3.36Å; A375-H378 PolarHBondContact O-ND1 3.25Å
376	T	98.3	Very high	94.8	Very high	8 Å²	8	22.8 Å²	22.8	5%	0.049	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	2.3	-172.5	59.1	0	0	0	0	114.6	K277 Y330 G331 S334 W374 H378 T379 E380	K277-T376 HydrophobicContact CG-CG2 3.94Å; Y330-T376 HydrophobicContact CD1-CG2 4.43Å; G331-T376 WeakPolarHBondContact CA-OG1 3.29Å; G331-T376 PolarHBondContact N-OG1 2.98Å; S334-T376 WeakPolarHBondContact CB-O 3.33Å; W374-T376 VanDerWaalsContact C-N 3.27Å; W374-T376 PolarHBondContact O-N 2.81Å; W374-T376 VanDerWaalsContact O-N 3.12Å; T376-H378 PolarHBondContact O-N 2.53Å; T376-T379 PolarHBondContact O-N 3.36Å; T376-T379 PolarHBondContact O-OG1 3.35Å; T376-T379 VanDerWaalsContact O-OG1 3.13Å; T376-E380 WeakPolarHBondContact O-CB 3.39Å; T376-E380 PolarHBondContact O-N 2.82Å
377	L	98.6	Very high	95.3	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.026	16%	0.156	C	C	.	.	H	α-helix	trans	-63	-31.5	-177.6	-69.1	176	0	0	0	112.6	V81 I82 A85 P119 W374 Y381	V81-L377 HydrophobicContact CB-CD2 4.42Å; V81-L377 HydrophobicContact CG1-CD1 3.95Å; V81-L377 HydrophobicContact CG1-CD2 3.74Å; I82-L377 HydrophobicContact CG1-CB 3.89Å; I82-L377 HydrophobicContact CG1-CD1 4.37Å; A85-L377 HydrophobicContact CB-CD1 4.41Å; P119-L377 HydrophobicContact CB-CB 4.29Å; W374-L377 HydrophobicContact CB-CD1 3.97Å; W374-L377 HydrophobicContact CG-CD1 4.08Å; W374-L377 WeakPolarHBondContact O-CG 3.23Å; W374-L377 PolarHBondContact O-N 2.93Å; W374-L377 VanDerWaalsContact O-N 3.16Å; L377-Y381 WeakPolarHBondContact O-CB 3.32Å; L377-Y381 PolarHBondContact O-N 2.96Å; L377-Y381 VanDerWaalsContact O-N 3.09Å
378	H	98.6	Very high	95.9	Very high	8 Å²	8	29.1 Å²	29.1	4%	0.037	15%	0.153	C	C	.	.	H	α-helix	trans	-69.8	-47.8	179.6	73.1	-74.4	0	0	0	111.8	P118 L122 A375 T376 Y381 I382	P118-H378 HydrophobicContact CB-CB 4.12Å; P118-H378 VanDerWaalsContact CB-CG 3.48Å; P118-H378 WeakPolarHBondContact CB-ND1 3.43Å; L122-H378 HydrophobicContact CD2-CB 3.89Å; A375-H378 PolarHBondContact O-CE1 3.36Å; A375-H378 PolarHBondContact O-ND1 3.25Å; T376-H378 PolarHBondContact O-N 2.53Å; H378-Y381 WeakPolarHBondContact O-CB 3.48Å; H378-Y381 PolarHBondContact O-N 2.93Å; H378-I382 VanDerWaalsContact O-CD1 3.29Å; H378-I382 WeakPolarHBondContact O-CD1 3Å; H378-I382 WeakPolarHBondContact O-CG1 3.38Å; H378-I382 PolarHBondContact O-N 2.86Å; H378-I382 VanDerWaalsContact O-N 3.08Å
379	T	98.8	Very high	96.3	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	18%	0.175	C	C	.	.	H	α-helix	trans	-67.1	-36.3	175.2	37.1	0	0	0	0	112.5	Y58 Q281 S334 T376 Y381 I382 W383	Y58-T379 HydrophobicContact CE1-CG2 3.98Å; Q281-T379 HydrophobicContact CG-CG2 4.1Å; S334-T379 VanDerWaalsContact OG-CB 3.29Å; S334-T379 WeakPolarHBondContact OG-CB 3.22Å; S334-T379 PolarHBondContact OG-OG1 3.35Å; T376-T379 PolarHBondContact O-N 3.36Å; T376-T379 PolarHBondContact O-OG1 3.35Å; T376-T379 VanDerWaalsContact O-OG1 3.13Å; T379-Y381 VanDerWaalsContact C-N 3.32Å; T379-Y381 PolarHBondContact O-N 3.18Å; T379-I382 PolarHBondContact O-N 3.38Å; T379-W383 HydrophobicContact CG2-CD2 4.46Å; T379-W383 HydrophobicContact CG2-CE3 4.35Å; T379-W383 HydrophobicContact CG2-CH2 3.74Å; T379-W383 HydrophobicContact CG2-CZ2 3.8Å; T379-W383 HydrophobicContact CG2-CZ3 4.01Å; T379-W383 WeakPolarHBondContact O-CB 3.49Å; T379-W383 VanDerWaalsContact O-CG 3.3Å; T379-W383 PolarHBondContact O-N 2.94Å
380	E	98.7	Very high	96.8	Very high	6 Å²	6	32.6 Å²	32.6	3%	0.028	18%	0.177	C	C	.	.	H	α-helix	trans	-57.8	-45.4	172.2	-169.7	-160	142.9	0	0	111.5	I78 E333 S334 R357 T376 I382 Y384	I78-E380 HydrophobicContact CD1-CG 4.29Å; I78-E380 WeakPolarHBondContact CG1-OE1 3.26Å; I78-E380 HydrophobicContact CG2-CG 4.4Å; E333-E380 HydrophobicContact CB-CG 4.14Å; S334-E380 PolarHBondContact OG-N 2.88Å; R357-E380 IonicContact CZ-OE1 2.85Å; R357-E380 VanDerWaalsContact CZ-OE1 3.24Å; R357-E380 IonicContact CZ-OE2 3.34Å; R357-E380 IonicContact NH1-OE1 3.35Å; R357-E380 PolarHBondContact NH1-OE1 3.2Å; R357-E380 IonicContact NH1-OE2 2.7Å; R357-E380 PolarHBondContact NH1-OE2 3.32Å; R357-E380 VanDerWaalsContact NH2-CD 3.34Å; R357-E380 IonicContact NH2-OE1 3.27Å; R357-E380 PolarHBondContact NH2-OE1 2.81Å; R357-E380 IonicContact NH2-OE2 3.56Å; R357-E380 PolarHBondContact NH2-OE2 2.85Å; T376-E380 WeakPolarHBondContact O-CB 3.39Å; T376-E380 PolarHBondContact O-N 2.82Å; E380-I382 PolarHBondContact O-N 2.87Å; E380-Y384 VanDerWaalsContact O-CB 3.28Å; E380-Y384 WeakPolarHBondContact O-CB 3.45Å; E380-Y384 PolarHBondContact O-N 2.72Å
381	Y	98.8	Very high	97.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64	-39.1	177.7	-171.8	-90.8	0	0	0	112.9	L67 R70 S71 H75 I78 F79 I82 L122 L126 L377 H378 T379	L67-Y381 HydrophobicContact CB-CE1 4.46Å; L67-Y381 HydrophobicContact CD2-CE1 4.27Å; L67-Y381 PolarHBondContact O-OH 3.44Å; R70-Y381 WeakPolarHBondContact CB-OH 3.38Å; S71-Y381 VanDerWaalsContact CA-OH 3.26Å; S71-Y381 WeakPolarHBondContact CA-OH 3.29Å; S71-Y381 PolarHBondContact N-OH 2.95Å; S71-Y381 PolarHBondContact OG-OH 2.86Å; H75-Y381 HydrophobicContact CB-CD2 4.01Å; H75-Y381 HydrophobicContact CB-CE2 3.32Å; H75-Y381 AromaticContact CD2-CZ 3.93Å; H75-Y381 PolarHBondContact CD2-O 3.47Å; H75-Y381 VanDerWaalsContact CD2-O 3.22Å; I78-Y381 HydrophobicContact CB-CD2 4.03Å; I78-Y381 HydrophobicContact CG2-CD2 3.94Å; F79-Y381 HydrophobicContact CB-CE2 3.97Å; F79-Y381 HydrophobicContact CD2-CE2 4.47Å; I82-Y381 HydrophobicContact CD1-CD2 4Å; I82-Y381 HydrophobicContact CD1-CG 4.06Å; L122-Y381 HydrophobicContact CD2-CD1 3.98Å; L122-Y381 HydrophobicContact CD2-CG 4.18Å; L126-Y381 HydrophobicContact CD1-CD1 4.44Å; L126-Y381 HydrophobicContact CD1-CE1 3.94Å; L377-Y381 WeakPolarHBondContact O-CB 3.32Å; L377-Y381 PolarHBondContact O-N 2.96Å; L377-Y381 VanDerWaalsContact O-N 3.09Å; H378-Y381 WeakPolarHBondContact O-CB 3.48Å; H378-Y381 PolarHBondContact O-N 2.93Å; T379-Y381 VanDerWaalsContact C-N 3.32Å; T379-Y381 PolarHBondContact O-N 3.18Å
382	I	98.6	Very high	97.5	Very high	23 Å²	23	36.8 Å²	36.8	12%	0.118	19%	0.192	C	C	.	.	H	α-helix	trans	-73.6	-38.5	-178.7	-66.5	159.5	0	0	0	111.3	Y58 F59 F175 H378 T379 E380	Y58-I382 HydrophobicContact CD1-CD1 4.5Å; Y58-I382 HydrophobicContact CD2-CD1 4.47Å; Y58-I382 HydrophobicContact CG-CD1 4.06Å; F59-I382 HydrophobicContact CD1-CD1 4.14Å; F59-I382 HydrophobicContact CD1-CG1 4.13Å; F59-I382 HydrophobicContact CD1-CG2 4.45Å; F59-I382 HydrophobicContact CE1-CD1 3.76Å; F59-I382 HydrophobicContact CE1-CG1 3.98Å; F175-I382 HydrophobicContact CZ-CD1 3.88Å; H378-I382 VanDerWaalsContact O-CD1 3.29Å; H378-I382 WeakPolarHBondContact O-CD1 3Å; H378-I382 WeakPolarHBondContact O-CG1 3.38Å; H378-I382 PolarHBondContact O-N 2.86Å; H378-I382 VanDerWaalsContact O-N 3.08Å; T379-I382 PolarHBondContact O-N 3.38Å; E380-I382 PolarHBondContact O-N 2.87Å
383	W	98.6	Very high	97.5	Very high	3 Å²	3	36.8 Å²	36.8	1%	0.011	19%	0.193	C	C	.	.	H	α-helix	trans	-92.6	-14.4	-173.2	-62.3	-29.2	0	0	0	114.9	Y58 T280 Q281 F284 S334 F338 T341 F342 T379 N385	Y58-W383 HydrophobicContact CE1-CZ2 4.32Å; T280-W383 WeakPolarHBondContact OG1-CH2 3.18Å; T280-W383 WeakPolarHBondContact OG1-CZ3 3.26Å; Q281-W383 HydrophobicContact CB-CH2 4.41Å; Q281-W383 HydrophobicContact CG-CH2 3.74Å; Q281-W383 HydrophobicContact CG-CZ2 4.18Å; F284-W383 HydrophobicContact CB-CZ2 3.92Å; F284-W383 AromaticContact CD2-CD1 3.77Å; F284-W383 AromaticContact CD2-NE1 3.18Å; F284-W383 AromaticContact CE2-CD1 3.84Å; F284-W383 AromaticContact CE2-NE1 3.59Å; F284-W383 HydrophobicContact CG-CZ2 4.27Å; F284-W383 AromaticContact CG-NE1 3.45Å; S334-W383 WeakPolarHBondContact OG-CZ3 3.47Å; F338-W383 HydrophobicContact CB-CD2 4.11Å; F338-W383 HydrophobicContact CB-CE3 3.62Å; F338-W383 HydrophobicContact CB-CZ3 4Å; F338-W383 AromaticContact CD2-CD2 3.9Å; F338-W383 HydrophobicContact CD2-CD2 3.9Å; F338-W383 AromaticContact CD2-CE2 3.92Å; F338-W383 HydrophobicContact CD2-CE3 4.04Å; F338-W383 HydrophobicContact CD2-CG 4.4Å; F338-W383 HydrophobicContact CD2-CH2 4.16Å; F338-W383 HydrophobicContact CD2-CZ2 4.06Å; F338-W383 HydrophobicContact CD2-CZ3 4.16Å; F338-W383 HydrophobicContact CG-CE3 4.28Å; F338-W383 HydrophobicContact CG-CZ3 4.39Å; T341-W383 WeakPolarHBondContact CB-O 3.31Å; T341-W383 PolarHBondContact OG1-O 2.9Å; F342-W383 HydrophobicContact CE2-CB 4.15Å; F342-W383 AromaticContact CE2-CD1 3.72Å; F342-W383 AromaticContact CE2-CG 3.96Å; F342-W383 HydrophobicContact CE2-CG 3.96Å; T379-W383 HydrophobicContact CG2-CD2 4.46Å; T379-W383 HydrophobicContact CG2-CE3 4.35Å; T379-W383 HydrophobicContact CG2-CH2 3.74Å; T379-W383 HydrophobicContact CG2-CZ2 3.8Å; T379-W383 HydrophobicContact CG2-CZ3 4.01Å; T379-W383 WeakPolarHBondContact O-CB 3.49Å; T379-W383 VanDerWaalsContact O-CG 3.3Å; T379-W383 PolarHBondContact O-N 2.94Å; W383-N385 PolarHBondContact O-N 3.38Å
384	Y	98.5	Very high	97.3	Very high	19 Å²	19	41.1 Å²	41.1	8%	0.075	22%	0.216	C	C	.	.			trans	-64.6	117.3	178.5	172	-114.2	0	0	0	112.5	T74 H75 Y77 I78 N350 E380	T74-Y384 WeakPolarHBondContact O-CE1 3.39Å; H75-Y384 AromaticContact CE1-CD1 3.82Å; H75-Y384 PolarHBondContact CE1-O 3.42Å; H75-Y384 AromaticContact CG-CD1 3.87Å; H75-Y384 AromaticContact ND1-CD1 3.63Å; H75-Y384 AromaticContact ND1-CE1 3.93Å; H75-Y384 PolarHBondContact NE2-O 3.06Å; Y77-Y384 AromaticContact CE1-CE1 3.82Å; Y77-Y384 HydrophobicContact CE1-CE1 3.82Å; Y77-Y384 AromaticContact CE1-CZ 3.83Å; Y77-Y384 WeakPolarHBondContact OH-CD2 3.22Å; Y77-Y384 WeakPolarHBondContact OH-CE2 3.49Å; Y77-Y384 VanDerWaalsContact OH-CZ 3.26Å; I78-Y384 HydrophobicContact CD1-CD1 3.76Å; I78-Y384 HydrophobicContact CD1-CD2 4.5Å; I78-Y384 HydrophobicContact CD1-CG 3.69Å; N350-Y384 HydrophobicContact CB-CE2 4.42Å; N350-Y384 WeakPolarHBondContact OD1-CD2 3.44Å; E380-Y384 VanDerWaalsContact O-CB 3.28Å; E380-Y384 WeakPolarHBondContact O-CB 3.45Å; E380-Y384 PolarHBondContact O-N 2.72Å
385	N	97.8	Very high	96.9	Very high	43 Å²	43	41.9 Å²	41.9	23%	0.23	22%	0.222	C	C	.	.			trans	-99.1	104.1	175.6	-177	-0.7	0	0	0	111.3	T341 N350 W383 H387 L388	T341-N385 HydrophobicContact CG2-CB 3.91Å; T341-N385 WeakPolarHBondContact OG1-CB 3.4Å; T341-N385 PolarHBondContact OG1-N 2.98Å; N350-N385 PolarHBondContact ND2-O 3.03Å; W383-N385 PolarHBondContact O-N 3.38Å; N385-H387 PolarHBondContact O-N 3.07Å; N385-H387 WeakPolarHBondContact OD1-CB 3.45Å; N385-H387 PolarHBondContact OD1-CD2 3.3Å; N385-H387 VanDerWaalsContact OD1-CD2 3.31Å; N385-H387 PolarHBondContact OD1-N 2.7Å; N385-L388 HydrophobicContact CB-CD1 4.15Å; N385-L388 HydrophobicContact CB-CG 4.32Å; N385-L388 PolarHBondContact O-N 2.68Å; N385-L388 VanDerWaalsContact O-N 3.14Å
386	S	96.4	Very high	96.7	Very high	36 Å²	36	45 Å²	45	25%	0.252	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-3.9	178.2	55.2	0	0	0	0	115.6	T74 L388	T74-S386 VanDerWaalsContact CB-CB 3.45Å; T74-S386 WeakPolarHBondContact CB-OG 3.46Å; T74-S386 WeakPolarHBondContact OG1-CB 3.43Å; T74-S386 PolarHBondContact OG1-OG 2.9Å; S386-L388 VanDerWaalsContact C-N 3.35Å
387	H	97.3	Very high	96.3	Very high	159 Å²	159	46.5 Å²	46.5	74%	0.736	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-12.8	170.7	-59.3	-76	0	0	0	112.7	N385 T389	N385-H387 PolarHBondContact O-N 3.07Å; N385-H387 WeakPolarHBondContact OD1-CB 3.45Å; N385-H387 PolarHBondContact OD1-CD2 3.3Å; N385-H387 VanDerWaalsContact OD1-CD2 3.31Å; N385-H387 PolarHBondContact OD1-N 2.7Å; H387-T389 PolarHBondContact O-N 3.34Å
388	L	97.6	Very high	96	Very high	27 Å²	27	52.2 Å²	52.2	14%	0.141	28%	0.276	C	S	.	.	S	Bend	trans	-93.5	94.4	175.6	-61.6	176.6	0	0	0	109.5	D340 N350 N385 S386 P390	D340-L388 HydrophobicContact CB-CD1 4.29Å; D340-L388 WeakPolarHBondContact O-CD1 3.35Å; N350-L388 PolarHBondContact ND2-O 3.38Å; N385-L388 HydrophobicContact CB-CD1 4.15Å; N385-L388 HydrophobicContact CB-CG 4.32Å; N385-L388 PolarHBondContact O-N 2.68Å; N385-L388 VanDerWaalsContact O-N 3.14Å; S386-L388 VanDerWaalsContact C-N 3.35Å; L388-P390 WeakPolarHBondContact O-CD 3.4Å
389	T	96.3	Very high	95.7	Very high	111 Å²	111	53.4 Å²	53.4	68%	0.681	29%	0.287	S	S	*	.			trans	-56	122.2	179.7	-57.4	0	0	0	0	111	G347 H387 Q391	G347-T389 WeakPolarHBondContact CA-O 3.38Å; H387-T389 PolarHBondContact O-N 3.34Å; T389-Q391 PolarHBondContact O-N 3.5Å
390	P	97.5	Very high	95.5	Very high	46 Å²	46	59.6 Å²	59.6	30%	0.299	31%	0.31	S	S	.	.			trans	-60.1	119.1	-179	-22.6	31.8	0	0	0	112.3	G347 N350 W351 L388	G347-P390 WeakPolarHBondContact O-CA 3.46Å; N350-P390 HydrophobicContact CB-CB 4.42Å; N350-P390 HydrophobicContact CB-CG 4.26Å; W351-P390 HydrophobicContact CB-CB 4.09Å; L388-P390 WeakPolarHBondContact O-CD 3.4Å
391	Q	97.2	Very high	95.4	Very high	106 Å²	106	60.6 Å²	60.6	50%	0.495	32%	0.315	S	S	.	.			trans	-137.3	146.1	175.3	59.8	178.2	-4.7	0	0	111.8	N346 G347 T348 W351 T389	N346-Q391 WeakPolarHBondContact O-CG 3.28Å; N346-Q391 PolarHBondContact O-NE2 3.02Å; G347-Q391 PolarHBondContact O-N 2.98Å; G347-Q391 VanDerWaalsContact O-N 3.15Å; T348-Q391 VanDerWaalsContact CA-O 3.31Å; T348-Q391 WeakPolarHBondContact CA-O 3.24Å; W351-Q391 WeakPolarHBondContact CB-O 3.34Å; T389-Q391 PolarHBondContact O-N 3.5Å
392	P	96.5	Very high	95.3	Very high	58 Å²	58	62.8 Å²	62.8	38%	0.377	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-67.3	161.1	178.2	29.1	-35.9	0	0	0	112.6	W351 F396	W351-P392 HydrophobicContact CD2-CB 4.04Å; W351-P392 HydrophobicContact CE3-CB 4.49Å; W351-P392 HydrophobicContact CH2-CB 4.32Å; W351-P392 HydrophobicContact CZ2-CB 3.81Å; P392-F396 HydrophobicContact CB-CB 3.64Å; P392-F396 HydrophobicContact CB-CD1 3.84Å; P392-F396 HydrophobicContact CB-CD2 4.44Å; P392-F396 HydrophobicContact CB-CG 3.69Å; P392-F396 HydrophobicContact CG-CB 4.38Å; P392-F396 HydrophobicContact CG-CD1 4.3Å
393	P	94.8	Very high	95.2	Very high	10 Å²	10	63.4 Å²	63.4	7%	0.065	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-63	159.7	169.8	27.2	-32.9	0	0	0	111.3	W305 Y308 T348 W351 F396	W305-P393 HydrophobicContact CH2-CB 4.45Å; Y308-P393 HydrophobicContact CD2-CG 4.18Å; Y308-P393 HydrophobicContact CE1-CG 4.18Å; Y308-P393 HydrophobicContact CE2-CG 3.61Å; T348-P393 HydrophobicContact CG2-CB 3.88Å; T348-P393 HydrophobicContact CG2-CG 4.29Å; W351-P393 VanDerWaalsContact CZ3-CD 3.48Å; W351-P393 HydrophobicContact CZ3-CG 4.34Å; P393-F396 HydrophobicContact CG-CB 4.36Å; P393-F396 VanDerWaalsContact O-CB 3.28Å; P393-F396 WeakPolarHBondContact O-CB 3.3Å; P393-F396 PolarHBondContact O-N 2.85Å
394	H	90.3	Very high	95.2	Very high	165 Å²	165	63.3 Å²	63.3	76%	0.764	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	145.9	173.6	-166.3	-88.5	0	0	0	111	F396	H394-F396 PolarHBondContact O-N 3.17Å; H394-F396 VanDerWaalsContact O-N 3.16Å
395	D	87.3	Confident	95	Very high	38 Å²	38	62.8 Å²	62.8	20%	0.203	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	11.9	-174.7	-65.1	-54.1	0	0	0	116.9	G397 K398 R400	D395-G397 PolarHBondContact O-N 2.8Å; D395-K398 HydrophobicContact CB-CD 4.08Å; D395-K398 WeakPolarHBondContact O-CB 3.26Å; D395-K398 PolarHBondContact O-N 2.73Å; D395-K398 WeakPolarHBondContact OD1-CE 3.48Å; D395-K398 IonicContact OD1-NZ 2.94Å; D395-K398 PolarHBondContact OD1-NZ 2.99Å; D395-R400 IonicContact OD2-NH1 3.34Å; D395-R400 PolarHBondContact OD2-NH1 3.29Å
396	F	93.9	Very high	95	Very high	72 Å²	72	60.8 Å²	60.8	32%	0.316	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	137.6	174.2	171.1	-101.6	0	0	0	112.8	F315 W351 P392 P393 H394 K398 G415	F315-F396 AromaticContact CZ-CE2 3.99Å; F315-F396 HydrophobicContact CZ-CE2 3.99Å; F315-F396 HydrophobicContact CZ-CZ 4.25Å; W351-F396 AromaticContact CH2-CD2 3.57Å; W351-F396 HydrophobicContact CH2-CD2 3.57Å; W351-F396 AromaticContact CH2-CE2 3.51Å; W351-F396 HydrophobicContact CH2-CE2 3.51Å; W351-F396 HydrophobicContact CH2-CG 4.31Å; W351-F396 HydrophobicContact CH2-CZ 4.2Å; W351-F396 HydrophobicContact CZ2-CD1 4.41Å; W351-F396 AromaticContact CZ2-CD2 3.82Å; W351-F396 HydrophobicContact CZ2-CD2 3.82Å; W351-F396 HydrophobicContact CZ2-CE1 4.2Å; W351-F396 AromaticContact CZ2-CE2 3.59Å; W351-F396 HydrophobicContact CZ2-CE2 3.59Å; W351-F396 HydrophobicContact CZ2-CG 4.24Å; W351-F396 AromaticContact CZ2-CZ 3.8Å; W351-F396 HydrophobicContact CZ2-CZ 3.8Å; P392-F396 HydrophobicContact CB-CB 3.64Å; P392-F396 HydrophobicContact CB-CD1 3.84Å; P392-F396 HydrophobicContact CB-CD2 4.44Å; P392-F396 HydrophobicContact CB-CG 3.69Å; P392-F396 HydrophobicContact CG-CB 4.38Å; P392-F396 HydrophobicContact CG-CD1 4.3Å; P393-F396 HydrophobicContact CG-CB 4.36Å; P393-F396 VanDerWaalsContact O-CB 3.28Å; P393-F396 WeakPolarHBondContact O-CB 3.3Å; P393-F396 PolarHBondContact O-N 2.85Å; H394-F396 PolarHBondContact O-N 3.17Å; H394-F396 VanDerWaalsContact O-N 3.16Å; F396-K398 VanDerWaalsContact C-N 3.33Å; F396-G415 WeakPolarHBondContact CE2-O 3.32Å
397	G	90.9	Very high	95.1	Very high	40 Å²	40	59.2 Å²	59.2	41%	0.412	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.5	-9.8	-174.7	0	0	0	0	0	114.4	D395	D395-G397 PolarHBondContact O-N 2.8Å
398	K	92	Very high	95.1	Very high	126 Å²	126	51.9 Å²	51.9	55%	0.548	27%	0.273	S	S	.	.	S	Bend	trans	-93.6	135.6	166.7	-55.9	177.1	-168.1	167.1	0	109.3	D395 F396 R400	D395-K398 HydrophobicContact CB-CD 4.08Å; D395-K398 WeakPolarHBondContact O-CB 3.26Å; D395-K398 PolarHBondContact O-N 2.73Å; D395-K398 WeakPolarHBondContact OD1-CE 3.48Å; D395-K398 IonicContact OD1-NZ 2.94Å; D395-K398 PolarHBondContact OD1-NZ 2.99Å; F396-K398 VanDerWaalsContact C-N 3.33Å; K398-R400 HydrophobicContact CB-CG 4.44Å; K398-R400 PolarHBondContact O-N 3.08Å
399	A	93.1	Very high	95.1	Very high	33 Å²	33	50.6 Å²	50.6	27%	0.273	27%	0.266	S	S	.	.			trans	-65.5	128.5	166.4	0	0	0	0	0	108.8	Y412 L416	A399-Y412 HydrophobicContact CB-CE1 4.01Å; A399-Y412 HydrophobicContact CB-CE2 4.15Å; A399-L416 HydrophobicContact CB-CD1 4.14Å
400	R	93.8	Very high	95.3	Very high	131 Å²	131	45.4 Å²	45.4	49%	0.494	24%	0.235	S	C	.	.			trans	-140.1	154	175.9	-64	-163.1	68.7	-179.3	-9.3	111.1	D395 K398 Y412 G413 E537	D395-R400 IonicContact OD2-NH1 3.34Å; D395-R400 PolarHBondContact OD2-NH1 3.29Å; K398-R400 HydrophobicContact CB-CG 4.44Å; K398-R400 PolarHBondContact O-N 3.08Å; R400-Y412 WeakPolarHBondContact O-CA 3.39Å; R400-G413 PolarHBondContact O-N 2.72Å; R400-E537 WeakPolarHBondContact CA-OE2 3.37Å; R400-E537 IonicContact NE-OE1 2.7Å
401	M	95.8	Very high	95.3	Very high	27 Å²	27	43.3 Å²	43.3	13%	0.133	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	145	173.8	-178.3	174.4	-76	0	0	111.6	I403 V410 T411 Y412 A535 E537 M542	M401-I403 HydrophobicContact CG-CG1 4.24Å; M401-I403 HydrophobicContact SD-CD1 4.38Å; M401-I403 HydrophobicContact SD-CG1 4.4Å; M401-V410 HydrophobicContact CE-CG1 4.11Å; M401-V410 HydrophobicContact CG-CG1 3.89Å; M401-V410 HydrophobicContact SD-CG1 4.04Å; M401-T411 CarbonylContact C-O 3.58Å; M401-T411 VanDerWaalsContact CA-O 3.26Å; M401-T411 WeakPolarHBondContact CA-O 3.5Å; M401-Y412 HydrophobicContact CB-CD2 4.3Å; M401-A535 HydrophobicContact CE-CB 4.37Å; M401-A535 HydrophobicContact SD-CB 3.69Å; M401-E537 HydrophobicContact CB-CB 4.08Å; M401-E537 HydrophobicContact CB-CG 4.12Å; M401-E537 WeakPolarHBondContact CB-OE2 3.42Å; M401-E537 HydrophobicContact CE-CB 4.37Å; M401-E537 PolarHBondContact N-OE2 2.97Å; M401-M542 HydrophobicContact CE-CB 3.73Å; M401-M542 HydrophobicContact CE-CE 3.78Å; M401-M542 HydrophobicContact CE-CG 4.48Å; M401-M542 HydrophobicContact CE-SD 4.04Å
402	H	96.9	Very high	95.3	Very high	45 Å²	45	38.5 Å²	38.5	21%	0.208	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	147.1	168.9	-164.1	82.4	0	0	0	110	W305 A309 F404 V410 T411	W305-H402 AromaticContact CD2-CE1 3.99Å; W305-H402 AromaticContact CG-CE1 3.73Å; A309-H402 HydrophobicContact CB-CB 3.66Å; H402-F404 AromaticContact CD2-CE1 3.69Å; H402-F404 AromaticContact CD2-CE2 3.72Å; H402-F404 AromaticContact CD2-CZ 3.53Å; H402-F404 AromaticContact NE2-CE1 3.66Å; H402-F404 AromaticContact NE2-CZ 3.93Å; H402-V410 WeakPolarHBondContact O-CA 3.47Å; H402-T411 PolarHBondContact N-O 3.13Å; H402-T411 PolarHBondContact O-N 2.87Å
403	I	97.1	Very high	95.3	Very high	37 Å²	37	35.7 Å²	35.7	19%	0.19	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	100.1	-171.9	-55.2	174.2	0	0	0	109.2	M401 S405 V410 A535 P1143	M401-I403 HydrophobicContact CG-CG1 4.24Å; M401-I403 HydrophobicContact SD-CD1 4.38Å; M401-I403 HydrophobicContact SD-CG1 4.4Å; I403-S405 VanDerWaalsContact C-N 3.26Å; I403-S405 PolarHBondContact O-N 3.05Å; I403-V410 HydrophobicContact CG1-CG2 4.42Å; I403-V410 HydrophobicContact CG2-CG2 4.39Å; I403-A535 HydrophobicContact CD1-CB 3.9Å; I403-A535 HydrophobicContact CG1-CB 4.29Å; I403-P1143 HydrophobicContact CG2-CB 3.91Å; I403-P1143 HydrophobicContact CG2-CG 4.16Å
404	F	97.9	Very high	95.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	82.8	168	-60	-75	0	0	0	108.8	D262 F306 A309 T310 H402 N406 W407 G408 V409 T411	D262-F404 HydrophobicContact CB-CD1 4.28Å; D262-F404 WeakPolarHBondContact OD2-CA 3.42Å; D262-F404 WeakPolarHBondContact OD2-CB 3.44Å; F306-F404 HydrophobicContact CB-CE1 4.23Å; F306-F404 HydrophobicContact CD2-CE1 4.13Å; F306-F404 HydrophobicContact CD2-CZ 4.4Å; A309-F404 HydrophobicContact CB-CE2 4.29Å; A309-F404 HydrophobicContact CB-CZ 3.96Å; T310-F404 HydrophobicContact CG2-CE2 3.71Å; T310-F404 HydrophobicContact CG2-CZ 3.84Å; H402-F404 AromaticContact CD2-CE1 3.69Å; H402-F404 AromaticContact CD2-CE2 3.72Å; H402-F404 AromaticContact CD2-CZ 3.53Å; H402-F404 AromaticContact NE2-CE1 3.66Å; H402-F404 AromaticContact NE2-CZ 3.93Å; F404-N406 VanDerWaalsContact C-N 3.25Å; F404-N406 PolarHBondContact O-N 3Å; F404-W407 HydrophobicContact CB-CB 3.78Å; F404-W407 HydrophobicContact CB-CE3 4.19Å; F404-W407 HydrophobicContact CD2-CE3 4.05Å; F404-W407 HydrophobicContact CD2-CZ3 4.4Å; F404-W407 HydrophobicContact CG-CE3 4.09Å; F404-W407 PolarHBondContact O-N 3.19Å; F404-G408 WeakPolarHBondContact O-CA 3.23Å; F404-G408 PolarHBondContact O-N 3.12Å; F404-V409 WeakPolarHBondContact CA-O 3.47Å; F404-V409 HydrophobicContact CB-CB 4.27Å; F404-V409 WeakPolarHBondContact CB-O 3.42Å; F404-V409 HydrophobicContact CD2-CB 4.18Å; F404-V409 HydrophobicContact CD2-CG1 4.18Å; F404-V409 PolarHBondContact N-O 3.16Å; F404-V409 PolarHBondContact O-N 3.01Å; F404-T411 HydrophobicContact CE2-CG2 4.45Å
405	S	95.2	Very high	95.6	Very high	8 Å²	8	27.8 Å²	27.8	6%	0.056	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-14.4	-171.6	65.6	0	0	0	0	114.7	D262 I403 R435 P1143 N1147	D262-S405 PolarHBondContact OD2-N 2.81Å; I403-S405 VanDerWaalsContact C-N 3.26Å; I403-S405 PolarHBondContact O-N 3.05Å; S405-R435 PolarHBondContact O-NE 3.43Å; S405-R435 PolarHBondContact O-NH2 2.98Å; S405-P1143 WeakPolarHBondContact CB-O 3.22Å; S405-N1147 WeakPolarHBondContact OG-CB 3.37Å; S405-N1147 PolarHBondContact OG-ND2 3.43Å
406	N	96.7	Very high	96	Very high	2 Å²	2	26 Å²	26	1%	0.011	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-50.1	167.4	176.3	78.1	0	0	0	110.8	I260 D262 S264 F404 G408 G434 R435 A436 N1147	I260-N406 HydrophobicContact CG2-CB 4.34Å; D262-N406 WeakPolarHBondContact OD1-CB 3.28Å; D262-N406 WeakPolarHBondContact OD2-CA 3.28Å; D262-N406 VanDerWaalsContact OD2-CB 3.26Å; D262-N406 WeakPolarHBondContact OD2-CB 3.44Å; D262-N406 PolarHBondContact OD2-N 2.94Å; S264-N406 PolarHBondContact OG-ND2 2.93Å; F404-N406 VanDerWaalsContact C-N 3.25Å; F404-N406 PolarHBondContact O-N 3Å; N406-G408 VanDerWaalsContact C-N 3.26Å; N406-G408 PolarHBondContact O-N 3.31Å; N406-G434 CarbonylContact O-C 3.49Å; N406-G434 WeakPolarHBondContact O-CA 3.34Å; N406-R435 PolarHBondContact O-N 2.71Å; N406-R435 PolarHBondContact OD1-N 3.09Å; N406-A436 VanDerWaalsContact OD1-CB 3.27Å; N406-A436 WeakPolarHBondContact OD1-CB 3.46Å; N406-A436 PolarHBondContact OD1-N 3.42Å; N406-N1147 PolarHBondContact N-ND2 3.5Å
407	W	98.3	Very high	96	Very high	2 Å²	2	25 Å²	25	1%	0.008	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-24.8	-178.7	-161.1	17.2	0	0	0	113.2	D262 D266 V269 F306 T310 V319 I321 F404 V409	D262-W407 PolarHBondContact OD2-N 3.08Å; D266-W407 PolarHBondContact O-NE1 3.41Å; V269-W407 HydrophobicContact CG2-CH2 4.16Å; F306-W407 HydrophobicContact CD2-CE3 4.38Å; F306-W407 HydrophobicContact CD2-CZ3 4.27Å; F306-W407 HydrophobicContact CE2-CD2 4.4Å; F306-W407 AromaticContact CE2-CE3 3.84Å; F306-W407 HydrophobicContact CE2-CE3 3.84Å; F306-W407 HydrophobicContact CE2-CH2 4.03Å; F306-W407 AromaticContact CE2-CZ3 3.64Å; F306-W407 HydrophobicContact CE2-CZ3 3.64Å; T310-W407 HydrophobicContact CG2-CZ3 4.06Å; V319-W407 HydrophobicContact CG1-CH2 4.1Å; I321-W407 HydrophobicContact CB-CH2 4.15Å; I321-W407 HydrophobicContact CB-CZ2 3.95Å; I321-W407 HydrophobicContact CD1-CH2 4.23Å; I321-W407 HydrophobicContact CD1-CZ2 4.46Å; I321-W407 HydrophobicContact CG2-CH2 4.27Å; I321-W407 HydrophobicContact CG2-CZ2 3.58Å; F404-W407 HydrophobicContact CB-CB 3.78Å; F404-W407 HydrophobicContact CB-CE3 4.19Å; F404-W407 HydrophobicContact CD2-CE3 4.05Å; F404-W407 HydrophobicContact CD2-CZ3 4.4Å; F404-W407 HydrophobicContact CG-CE3 4.09Å; F404-W407 PolarHBondContact O-N 3.19Å; W407-V409 HydrophobicContact CB-CG2 4.35Å; W407-V409 HydrophobicContact CD2-CB 4Å; W407-V409 HydrophobicContact CD2-CG2 3.45Å; W407-V409 VanDerWaalsContact CD2-CG2 3.45Å; W407-V409 HydrophobicContact CE3-CB 3.61Å; W407-V409 HydrophobicContact CE3-CG1 4.12Å; W407-V409 HydrophobicContact CE3-CG2 3.53Å; W407-V409 HydrophobicContact CG-CB 4.42Å; W407-V409 HydrophobicContact CG-CG2 3.84Å; W407-V409 HydrophobicContact CH2-CG2 4.29Å; W407-V409 HydrophobicContact CZ2-CG2 4.24Å; W407-V409 HydrophobicContact CZ3-CB 4.08Å; W407-V409 HydrophobicContact CZ3-CG1 4.07Å; W407-V409 HydrophobicContact CZ3-CG2 3.95Å
408	G	97.8	Very high	95.9	Very high	6 Å²	6	26.7 Å²	26.7	6%	0.062	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	26.8	-171.8	0	0	0	0	0	113.2	F404 N406 K428 S429 V532	F404-G408 WeakPolarHBondContact O-CA 3.23Å; F404-G408 PolarHBondContact O-N 3.12Å; N406-G408 VanDerWaalsContact C-N 3.26Å; N406-G408 PolarHBondContact O-N 3.31Å; G408-K428 CarbonylContact O-C 3.6Å; G408-K428 WeakPolarHBondContact O-CA 3.46Å; G408-S429 CarbonylContact O-C 3.48Å; G408-S429 PolarHBondContact O-N 3.42Å; G408-V532 WeakPolarHBondContact O-CG2 3.43Å
409	V	98.8	Very high	95.7	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.2	-179.5	175.7	0	0	0	0	110.6	I321 F404 W407 T411 F427 K428	I321-V409 HydrophobicContact CD1-CG1 3.95Å; I321-V409 HydrophobicContact CD1-CG2 3.84Å; F404-V409 WeakPolarHBondContact CA-O 3.47Å; F404-V409 HydrophobicContact CB-CB 4.27Å; F404-V409 WeakPolarHBondContact CB-O 3.42Å; F404-V409 HydrophobicContact CD2-CB 4.18Å; F404-V409 HydrophobicContact CD2-CG1 4.18Å; F404-V409 PolarHBondContact N-O 3.16Å; F404-V409 PolarHBondContact O-N 3.01Å; W407-V409 HydrophobicContact CB-CG2 4.35Å; W407-V409 HydrophobicContact CD2-CB 4Å; W407-V409 HydrophobicContact CD2-CG2 3.45Å; W407-V409 VanDerWaalsContact CD2-CG2 3.45Å; W407-V409 HydrophobicContact CE3-CB 3.61Å; W407-V409 HydrophobicContact CE3-CG1 4.12Å; W407-V409 HydrophobicContact CE3-CG2 3.53Å; W407-V409 HydrophobicContact CG-CB 4.42Å; W407-V409 HydrophobicContact CG-CG2 3.84Å; W407-V409 HydrophobicContact CH2-CG2 4.29Å; W407-V409 HydrophobicContact CZ2-CG2 4.24Å; W407-V409 HydrophobicContact CZ3-CB 4.08Å; W407-V409 HydrophobicContact CZ3-CG1 4.07Å; W407-V409 HydrophobicContact CZ3-CG2 3.95Å; V409-T411 HydrophobicContact CG1-CG2 4.09Å; V409-F427 WeakPolarHBondContact CA-O 3.36Å; V409-K428 HydrophobicContact CG2-CB 4.08Å; V409-K428 HydrophobicContact CG2-CD 4.37Å; V409-K428 HydrophobicContact CG2-CG 3.79Å
410	V	98.7	Very high	95.2	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.012	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	138	168.4	179.5	0	0	0	0	108.4	M401 H402 I403 S426 F427 V532 A535 V544	M401-V410 HydrophobicContact CE-CG1 4.11Å; M401-V410 HydrophobicContact CG-CG1 3.89Å; M401-V410 HydrophobicContact SD-CG1 4.04Å; H402-V410 WeakPolarHBondContact O-CA 3.47Å; I403-V410 HydrophobicContact CG1-CG2 4.42Å; I403-V410 HydrophobicContact CG2-CG2 4.39Å; V410-S426 CarbonylContact O-C 3.57Å; V410-S426 VanDerWaalsContact O-CA 3.25Å; V410-S426 WeakPolarHBondContact O-CA 3.48Å; V410-F427 PolarHBondContact N-O 3.16Å; V410-F427 PolarHBondContact O-N 2.96Å; V410-V532 HydrophobicContact CG2-CG1 3.97Å; V410-V532 HydrophobicContact CG2-CG2 4.34Å; V410-A535 HydrophobicContact CG1-CB 4.1Å; V410-A535 HydrophobicContact CG2-CB 3.83Å; V410-V544 HydrophobicContact CB-CG2 4.15Å; V410-V544 HydrophobicContact CG1-CG2 4.34Å; V410-V544 HydrophobicContact CG2-CG2 3.9Å
411	T	98.6	Very high	94.7	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	158.9	169.2	64	0	0	0	0	110.7	A309 M401 H402 F404 V409 F424 V425	A309-T411 VanDerWaalsContact O-CB 3.27Å; A309-T411 WeakPolarHBondContact O-CB 3.3Å; A309-T411 WeakPolarHBondContact O-CG2 3.3Å; A309-T411 PolarHBondContact O-OG1 3.01Å; M401-T411 CarbonylContact C-O 3.58Å; M401-T411 VanDerWaalsContact CA-O 3.26Å; M401-T411 WeakPolarHBondContact CA-O 3.5Å; H402-T411 PolarHBondContact N-O 3.13Å; H402-T411 PolarHBondContact O-N 2.87Å; F404-T411 HydrophobicContact CE2-CG2 4.45Å; V409-T411 HydrophobicContact CG1-CG2 4.09Å; T411-F424 HydrophobicContact CG2-CE2 4.34Å; T411-F424 HydrophobicContact CG2-CZ 3.93Å; T411-V425 CarbonylContact C-O 3.6Å; T411-V425 VanDerWaalsContact CA-O 3.3Å; T411-V425 WeakPolarHBondContact CA-O 3.08Å
412	Y	98.1	Very high	94.7	Very high	5 Å²	5	23.6 Å²	23.6	2%	0.02	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	140.3	174.8	170.5	-92.6	0	0	0	110	A399 R400 M401 A414 F424 V425 D540 M542 L567	A399-Y412 HydrophobicContact CB-CE1 4.01Å; A399-Y412 HydrophobicContact CB-CE2 4.15Å; R400-Y412 WeakPolarHBondContact O-CA 3.39Å; M401-Y412 HydrophobicContact CB-CD2 4.3Å; Y412-A414 VanDerWaalsContact C-N 3.33Å; Y412-A414 PolarHBondContact O-N 3.45Å; Y412-F424 VanDerWaalsContact O-CA 3.32Å; Y412-F424 WeakPolarHBondContact O-CA 3.46Å; Y412-V425 PolarHBondContact N-O 2.68Å; Y412-V425 PolarHBondContact O-N 3.48Å; Y412-V425 VanDerWaalsContact O-N 3.09Å; Y412-D540 WeakPolarHBondContact OH-CA 3.42Å; Y412-D540 PolarHBondContact OH-O 3.09Å; Y412-M542 WeakPolarHBondContact CB-SD 3.45Å; Y412-M542 HydrophobicContact CD1-SD 4.23Å; Y412-M542 HydrophobicContact CD2-CB 4.47Å; Y412-M542 HydrophobicContact CD2-CG 4.5Å; Y412-M542 HydrophobicContact CD2-SD 4.35Å; Y412-M542 HydrophobicContact CG-CG 4.3Å; Y412-M542 HydrophobicContact CG-SD 3.79Å; Y412-L567 HydrophobicContact CD1-CD2 3.79Å; Y412-L567 HydrophobicContact CE1-CD2 3.39Å
413	G	96.4	Very high	94.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	71.8	24.7	177.1	0	0	0	0	0	114.8	R400 L416 T423	R400-G413 PolarHBondContact O-N 2.72Å; G413-L416 WeakPolarHBondContact O-CD1 3.4Å; G413-L416 WeakPolarHBondContact O-CG 3.3Å; G413-T423 WeakPolarHBondContact CA-O 3.44Å
414	A	95.8	Very high	94.7	Very high	9 Å²	9	19.8 Å²	19.8	7%	0.074	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	154.3	179.2	0	0	0	0	0	113.4	A309 L311 Y412 L416 F424	A309-A414 VanDerWaalsContact C-CB 3.43Å; A309-A414 VanDerWaalsContact CA-CB 3.5Å; A309-A414 HydrophobicContact CB-CB 4.42Å; A309-A414 WeakPolarHBondContact O-CB 3.42Å; L311-A414 CarbonylContact O-C 3.54Å; L311-A414 WeakPolarHBondContact O-CA 3.21Å; Y412-A414 VanDerWaalsContact C-N 3.33Å; Y412-A414 PolarHBondContact O-N 3.45Å; A414-L416 PolarHBondContact O-N 3.19Å; A414-L416 VanDerWaalsContact O-N 3.17Å; A414-F424 HydrophobicContact CB-CD2 4.16Å; A414-F424 HydrophobicContact CB-CE2 3.85Å
415	G	94.6	Very high	94.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	6.8	175	0	0	0	0	0	115.5	L311 F315 F396	L311-G415 PolarHBondContact O-N 2.97Å; F315-G415 WeakPolarHBondContact CE1-O 3.22Å; F315-G415 VanDerWaalsContact CZ-O 3.24Å; F315-G415 WeakPolarHBondContact CZ-O 3.2Å; F396-G415 WeakPolarHBondContact CE2-O 3.32Å
416	L	95.6	Very high	94.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-70.3	158.3	179.9	-66.6	178.4	0	0	0	112.7	P313 G314 A399 G413 A414 N422	P313-L416 CarbonylContact C-O 3.53Å; P313-L416 VanDerWaalsContact CA-O 3.24Å; P313-L416 WeakPolarHBondContact CA-O 3.38Å; P313-L416 HydrophobicContact CB-CB 4.4Å; P313-L416 HydrophobicContact CG-CB 4.34Å; G314-L416 PolarHBondContact N-O 3.41Å; A399-L416 HydrophobicContact CB-CD1 4.14Å; G413-L416 WeakPolarHBondContact O-CD1 3.4Å; G413-L416 WeakPolarHBondContact O-CG 3.3Å; A414-L416 PolarHBondContact O-N 3.19Å; A414-L416 VanDerWaalsContact O-N 3.17Å; L416-N422 HydrophobicContact CB-CB 4.19Å; L416-N422 HydrophobicContact CD1-CB 3.87Å
417	P	94.3	Very high	95	Very high	51 Å²	51	19.4 Å²	19.4	33%	0.331	13%	0.127	S	C	.	.	P	Polyproline II helix	trans	-68.1	155.3	163.3	29.7	-32.7	0	0	0	110.7	F315 N422	F315-P417 HydrophobicContact CE2-CB 4.49Å; P417-N422 PolarHBondContact O-ND2 3.05Å
418	A	89.6	Confident	95	Very high	75 Å²	75	19.3 Å²	19.3	62%	0.62	13%	0.127	S	C	*	.	S	Bend	trans	-63.2	136.1	170.4	0	0	0	0	0	110.1
419	G	86.9	Confident	95	Very high	29 Å²	29	19 Å²	19	30%	0.299	12%	0.124	S	C	.	.			trans	169.7	158.4	-178.2	0	0	0	0	0	114	S421 N422 N472	G419-S421 PolarHBondContact O-N 3.49Å; G419-N422 WeakPolarHBondContact O-CB 3.46Å; G419-N422 PolarHBondContact O-N 3.25Å; G419-N422 VanDerWaalsContact O-N 3.14Å; G419-N472 CarbonylContact O-C 3.27Å
420	Q	83	Confident	95	Very high	123 Å²	123	19.1 Å²	19.1	58%	0.575	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	136.9	174.9	-163.6	178.5	28.5	0	0	110.5	N422 Y678	Q420-N422 PolarHBondContact O-N 3.41Å; Q420-N422 VanDerWaalsContact O-N 3.17Å; Q420-Y678 HydrophobicContact CG-CD2 3.85Å; Q420-Y678 HydrophobicContact CG-CE2 3.83Å; Q420-Y678 VanDerWaalsContact NE2-CG 3.33Å
421	S	83.8	Confident	94.9	Very high	64 Å²	64	21 Å²	21	45%	0.448	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	-7.4	-173.2	74.9	0	0	0	0	118.3	G419 T423 N472 S570	G419-S421 PolarHBondContact O-N 3.49Å; S421-T423 PolarHBondContact O-N 3.5Å; S421-T423 VanDerWaalsContact O-N 3.15Å; S421-N472 PolarHBondContact N-OD1 2.99Å; S421-S570 WeakPolarHBondContact CB-OG 3.43Å; S421-S570 WeakPolarHBondContact O-CB 3.45Å
422	N	94.4	Very high	94.9	Very high	36 Å²	36	21.4 Å²	21.4	19%	0.193	13%	0.134	C	C	.	.			trans	-77.3	101.3	170.1	-71.8	-10.1	0	0	0	109	L416 P417 G419 Q420 N472 G473	L416-N422 HydrophobicContact CB-CB 4.19Å; L416-N422 HydrophobicContact CD1-CB 3.87Å; P417-N422 PolarHBondContact O-ND2 3.05Å; G419-N422 WeakPolarHBondContact O-CB 3.46Å; G419-N422 PolarHBondContact O-N 3.25Å; G419-N422 VanDerWaalsContact O-N 3.14Å; Q420-N422 PolarHBondContact O-N 3.41Å; Q420-N422 VanDerWaalsContact O-N 3.17Å; N422-N472 CarbonylContact O-C 3.44Å; N422-N472 VanDerWaalsContact O-CA 3.32Å; N422-N472 WeakPolarHBondContact O-CA 3.43Å; N422-G473 PolarHBondContact O-N 3.18Å
423	T	95.6	Very high	94.8	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.012	13%	0.133	C	C	.	.			trans	-120.1	133.8	-167.1	-72.5	0	0	0	0	111.7	G413 S421 V425 F469 A470 P471 N472 S570	G413-T423 WeakPolarHBondContact CA-O 3.44Å; S421-T423 PolarHBondContact O-N 3.5Å; S421-T423 VanDerWaalsContact O-N 3.15Å; T423-V425 HydrophobicContact CG2-CG2 4.46Å; T423-F469 HydrophobicContact CG2-CD2 4.26Å; T423-F469 HydrophobicContact CG2-CE2 3.74Å; T423-A470 WeakPolarHBondContact CA-O 3.27Å; T423-P471 WeakPolarHBondContact OG1-CA 3.25Å; T423-N472 PolarHBondContact OG1-N 3.15Å; T423-S570 VanDerWaalsContact CB-O 3.26Å; T423-S570 WeakPolarHBondContact CB-O 3.3Å; T423-S570 VanDerWaalsContact CG2-O 3.25Å; T423-S570 WeakPolarHBondContact CG2-O 3.42Å; T423-S570 PolarHBondContact OG1-O 2.98Å
424	F	98.3	Very high	94.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	141.4	172.1	-173.6	-93.8	0	0	0	112	L312 P313 V319 T411 Y412 A414 T468 A470	L312-F424 HydrophobicContact CD1-CD1 3.76Å; L312-F424 HydrophobicContact CD1-CD2 4.27Å; L312-F424 HydrophobicContact CD1-CE1 3.58Å; L312-F424 HydrophobicContact CD1-CE2 4.11Å; L312-F424 HydrophobicContact CD1-CG 4.11Å; L312-F424 HydrophobicContact CD1-CZ 3.76Å; L312-F424 HydrophobicContact CG-CB 4.24Å; L312-F424 HydrophobicContact CG-CD1 3.82Å; L312-F424 HydrophobicContact CG-CD2 4.32Å; L312-F424 HydrophobicContact CG-CE1 4.18Å; L312-F424 HydrophobicContact CG-CG 3.89Å; P313-F424 HydrophobicContact CG-CB 4.28Å; V319-F424 HydrophobicContact CB-CE1 4.42Å; V319-F424 HydrophobicContact CB-CZ 4.15Å; V319-F424 HydrophobicContact CG2-CE1 4.04Å; V319-F424 HydrophobicContact CG2-CZ 4.07Å; T411-F424 HydrophobicContact CG2-CE2 4.34Å; T411-F424 HydrophobicContact CG2-CZ 3.93Å; Y412-F424 VanDerWaalsContact O-CA 3.32Å; Y412-F424 WeakPolarHBondContact O-CA 3.46Å; A414-F424 HydrophobicContact CB-CD2 4.16Å; A414-F424 HydrophobicContact CB-CE2 3.85Å; F424-T468 WeakPolarHBondContact CE1-OG1 3.13Å; F424-A470 HydrophobicContact CB-CB 4.17Å; F424-A470 PolarHBondContact N-O 3.27Å; F424-A470 VanDerWaalsContact N-O 3.11Å; F424-A470 PolarHBondContact O-N 3.22Å
425	V	98.6	Very high	94.9	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.006	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	141.1	166.4	-177.1	0	0	0	0	107.6	T411 Y412 T423 T468 F469 M542 L565 L567	T411-V425 CarbonylContact C-O 3.6Å; T411-V425 VanDerWaalsContact CA-O 3.3Å; T411-V425 WeakPolarHBondContact CA-O 3.08Å; Y412-V425 PolarHBondContact N-O 2.68Å; Y412-V425 PolarHBondContact O-N 3.48Å; Y412-V425 VanDerWaalsContact O-N 3.09Å; T423-V425 HydrophobicContact CG2-CG2 4.46Å; V425-T468 WeakPolarHBondContact CA-O 3.49Å; V425-F469 HydrophobicContact CG2-CD2 3.98Å; V425-F469 HydrophobicContact CG2-CE2 4.38Å; V425-M542 HydrophobicContact CB-SD 4.13Å; V425-M542 HydrophobicContact CG1-SD 4.23Å; V425-M542 HydrophobicContact CG2-SD 4.4Å; V425-L565 HydrophobicContact CG1-CD2 3.96Å; V425-L567 HydrophobicContact CG2-CD1 4.23Å; V425-L567 HydrophobicContact CG2-CD2 4.23Å
426	S	98.7	Very high	94.9	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.007	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	158.3	160.6	70.1	0	0	0	0	111.3	V319 V410 F467 T468	V319-S426 VanDerWaalsContact CG2-CB 3.4Å; V319-S426 VanDerWaalsContact CG2-OG 3.3Å; V319-S426 WeakPolarHBondContact CG2-OG 3.45Å; V410-S426 CarbonylContact O-C 3.57Å; V410-S426 VanDerWaalsContact O-CA 3.25Å; V410-S426 WeakPolarHBondContact O-CA 3.48Å; S426-F467 WeakPolarHBondContact O-CA 3.15Å; S426-F467 WeakPolarHBondContact O-CB 3.32Å; S426-T468 PolarHBondContact N-O 2.81Å; S426-T468 VanDerWaalsContact N-O 3.14Å; S426-T468 PolarHBondContact O-N 3.31Å; S426-T468 VanDerWaalsContact O-N 3.16Å; S426-T468 WeakPolarHBondContact OG-CB 3.13Å; S426-T468 PolarHBondContact OG-N 3.1Å; S426-T468 PolarHBondContact OG-OG1 3.38Å
427	F	98.9	Very high	95	Very high	1 Å²	1	22.1 Å²	22.1	0%	0.004	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	131.7	171.3	178.4	-101.1	0	0	0	109.4	V409 V410 N465 S466 F467 V532 V544 R563 L565	V409-F427 WeakPolarHBondContact CA-O 3.36Å; V410-F427 PolarHBondContact N-O 3.16Å; V410-F427 PolarHBondContact O-N 2.96Å; F427-N465 HydrophobicContact CE2-CB 4.25Å; F427-N465 HydrophobicContact CZ-CB 4.26Å; F427-N465 WeakPolarHBondContact CZ-OD1 3.3Å; F427-S466 WeakPolarHBondContact CA-O 3.33Å; F427-S466 VanDerWaalsContact CD2-O 3.32Å; F427-S466 WeakPolarHBondContact CD2-O 3.37Å; F427-F467 HydrophobicContact CD2-CB 4.29Å; F427-V532 HydrophobicContact CD1-CG2 4.29Å; F427-V532 HydrophobicContact CE1-CG2 4.29Å; F427-V544 HydrophobicContact CB-CG1 3.85Å; F427-V544 HydrophobicContact CB-CG2 4.38Å; F427-V544 HydrophobicContact CD1-CG1 4.21Å; F427-V544 HydrophobicContact CD1-CG2 3.63Å; F427-V544 HydrophobicContact CE1-CG2 4.25Å; F427-V544 HydrophobicContact CG-CG1 3.96Å; F427-V544 HydrophobicContact CG-CG2 4.21Å; F427-R563 HydrophobicContact CE2-CB 4.28Å; F427-R563 HydrophobicContact CE2-CG 4.13Å; F427-L565 HydrophobicContact CB-CD2 4.47Å; F427-L565 HydrophobicContact CD2-CD1 3.91Å; F427-L565 HydrophobicContact CD2-CD2 4.32Å; F427-L565 HydrophobicContact CE2-CD1 4.15Å
428	K	98.8	Very high	95.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131.4	175.6	-173.3	-175.1	-174.8	-162.8	0	110.8	I321 G408 V409 E460 D463 N465 S466	I321-K428 HydrophobicContact CD1-CB 4.33Å; I321-K428 HydrophobicContact CG2-CD 3.88Å; G408-K428 CarbonylContact O-C 3.6Å; G408-K428 WeakPolarHBondContact O-CA 3.46Å; V409-K428 HydrophobicContact CG2-CB 4.08Å; V409-K428 HydrophobicContact CG2-CD 4.37Å; V409-K428 HydrophobicContact CG2-CG 3.79Å; K428-E460 IonicContact NZ-OE2 2.59Å; K428-E460 PolarHBondContact NZ-OE2 2.87Å; K428-D463 VanDerWaalsContact CD-CG 3.5Å; K428-D463 WeakPolarHBondContact CD-OD1 3.5Å; K428-D463 VanDerWaalsContact CD-OD2 3.31Å; K428-D463 WeakPolarHBondContact CD-OD2 3.32Å; K428-D463 WeakPolarHBondContact CE-OD1 3.41Å; K428-D463 IonicContact NZ-OD1 3.9Å; K428-D463 PolarHBondContact NZ-OD1 3.22Å; K428-D463 IonicContact NZ-OD2 2.69Å; K428-D463 PolarHBondContact NZ-OD2 2.77Å; K428-N465 CarbonylContact O-C 3.55Å; K428-N465 WeakPolarHBondContact O-CA 3.4Å; K428-N465 PolarHBondContact O-N 2.8Å; K428-S466 PolarHBondContact N-O 3.48Å
429	S	98.6	Very high	95.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.101	C	C	.	.			trans	-157.2	94	163.8	-158.1	0	0	0	0	108.3	G408 N465 G530 E531 V532 E547	G408-S429 CarbonylContact O-C 3.48Å; G408-S429 PolarHBondContact O-N 3.42Å; S429-N465 VanDerWaalsContact CB-OD1 3.23Å; S429-N465 WeakPolarHBondContact CB-OD1 3.5Å; S429-N465 PolarHBondContact OG-OD1 3.12Å; S429-G530 WeakPolarHBondContact OG-CA 3.4Å; S429-E531 CarbonylContact O-C 3.52Å; S429-E531 VanDerWaalsContact O-CA 3.27Å; S429-E531 WeakPolarHBondContact O-CA 3.37Å; S429-E531 PolarHBondContact O-N 3.02Å; S429-E531 PolarHBondContact OG-N 2.94Å; S429-E531 VanDerWaalsContact OG-N 3.12Å; S429-V532 WeakPolarHBondContact O-CG2 3.42Å; S429-V532 PolarHBondContact O-N 3.05Å; S429-E547 PolarHBondContact OG-O 2.85Å
430	G	97.5	Very high	95.9	Very high	2 Å²	2	16.9 Å²	16.9	2%	0.021	9%	0.09	C	C	.	.			trans	-138.7	170.8	-165.9	0	0	0	0	0	114.3	Q464 G530	G430-Q464 PolarHBondContact O-OE1 3.03Å; G430-G530 CarbonylContact C-O 3.56Å; G430-G530 PolarHBondContact O-N 2.82Å
431	R	97.5	Very high	96.5	Very high	41 Å²	41	11.4 Å²	11.4	16%	0.155	7%	0.065	C	C	.	.	B	Isolated β-bridge	trans	-81.3	143.5	174.9	-68.9	169.7	-171.1	-136	-8.5	109.8	G433 G434 Y438 D439 R529 E531	R431-G433 PolarHBondContact O-N 2.95Å; R431-G434 VanDerWaalsContact O-CA 3.32Å; R431-G434 WeakPolarHBondContact O-CA 3.46Å; R431-G434 PolarHBondContact O-N 3.15Å; R431-Y438 HydrophobicContact CB-CD1 4.38Å; R431-Y438 HydrophobicContact CB-CD2 3.8Å; R431-Y438 HydrophobicContact CB-CE2 4.47Å; R431-Y438 HydrophobicContact CB-CG 3.74Å; R431-Y438 HydrophobicContact CG-CD1 4.25Å; R431-Y438 HydrophobicContact CG-CD2 4.3Å; R431-Y438 HydrophobicContact CG-CG 4.1Å; R431-D439 IonicContact CZ-OD1 2.71Å; R431-D439 IonicContact NH1-OD1 2.8Å; R431-D439 PolarHBondContact NH1-OD1 3.39Å; R431-D439 IonicContact NH1-OD2 2.82Å; R431-R529 HydrophobicContact CB-CB 4.37Å; R431-R529 HydrophobicContact CG-CB 3.85Å; R431-E531 IonicContact CZ-OE2 2.67Å; R431-E531 IonicContact NE-OE2 3.21Å; R431-E531 PolarHBondContact NE-OE2 2.83Å; R431-E531 IonicContact NH2-OE2 2.66Å; R431-E531 PolarHBondContact NH2-OE2 3Å
432	L	97.8	Very high	97	Very high	9 Å²	9	11.3 Å²	11.3	5%	0.047	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	130.7	174.1	-176.5	64.3	0	0	0	110.9	G434 Y438 W452 P457 L518 W520	L432-G434 PolarHBondContact O-N 2.86Å; L432-Y438 HydrophobicContact CB-CD2 4.39Å; L432-W452 HydrophobicContact CB-CH2 4.23Å; L432-W452 HydrophobicContact CB-CZ2 4.34Å; L432-W452 HydrophobicContact CD2-CH2 4.04Å; L432-W452 HydrophobicContact CD2-CZ2 3.86Å; L432-W452 HydrophobicContact CG-CH2 3.82Å; L432-W452 HydrophobicContact CG-CZ2 4.08Å; L432-W452 WeakPolarHBondContact O-CH2 3.43Å; L432-P457 HydrophobicContact CD1-CB 3.68Å; L432-P457 HydrophobicContact CD1-CG 3.75Å; L432-P457 HydrophobicContact CD2-CG 4.26Å; L432-P457 HydrophobicContact CG-CB 4.15Å; L432-P457 HydrophobicContact CG-CG 3.88Å; L432-L518 HydrophobicContact CD1-CD2 3.49Å; L432-L518 VanDerWaalsContact CD1-CD2 3.49Å; L432-W520 HydrophobicContact CD2-CB 4.02Å
433	G	96.6	Very high	97	Very high	1 Å²	1	16 Å²	16	1%	0.01	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	4.3	-173.2	0	0	0	0	0	114.8	R431 V437 E460	R431-G433 PolarHBondContact O-N 2.95Å; G433-V437 VanDerWaalsContact O-CB 3.31Å; G433-V437 WeakPolarHBondContact O-CB 3.25Å; G433-V437 VanDerWaalsContact O-CG2 3.26Å; G433-V437 WeakPolarHBondContact O-CG2 3.43Å; G433-E460 PolarHBondContact N-OE1 3.19Å
434	G	97.3	Very high	96.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	73.7	160	-166.5	0	0	0	0	0	113.2	N406 R431 L432 A436 V437 Y438	N406-G434 CarbonylContact O-C 3.49Å; N406-G434 WeakPolarHBondContact O-CA 3.34Å; R431-G434 VanDerWaalsContact O-CA 3.32Å; R431-G434 WeakPolarHBondContact O-CA 3.46Å; R431-G434 PolarHBondContact O-N 3.15Å; L432-G434 PolarHBondContact O-N 2.86Å; G434-A436 PolarHBondContact O-N 3.44Å; G434-V437 PolarHBondContact O-N 3.46Å; G434-Y438 WeakPolarHBondContact O-CB 3.43Å; G434-Y438 PolarHBondContact O-N 3.27Å
435	R	96.3	Very high	96.5	Very high	11 Å²	11	26.4 Å²	26.4	4%	0.042	14%	0.135	C	C	.	.	H	α-helix	trans	-54.6	-43.9	-171.1	-170	-178.2	-44.7	-82.9	-4.4	113.8	S405 N406 Y438 D439 E531 N1147	S405-R435 PolarHBondContact O-NE 3.43Å; S405-R435 PolarHBondContact O-NH2 2.98Å; N406-R435 PolarHBondContact O-N 2.71Å; N406-R435 PolarHBondContact OD1-N 3.09Å; R435-Y438 PolarHBondContact O-N 2.87Å; R435-D439 VanDerWaalsContact CG-OD2 3.26Å; R435-D439 WeakPolarHBondContact CG-OD2 3.21Å; R435-D439 VanDerWaalsContact O-CB 3.25Å; R435-D439 WeakPolarHBondContact O-CB 3.43Å; R435-D439 PolarHBondContact O-N 2.97Å; R435-E531 IonicContact CZ-OE1 3.78Å; R435-E531 VanDerWaalsContact CZ-OE1 3.23Å; R435-E531 IonicContact NH1-OE1 3.77Å; R435-E531 PolarHBondContact NH1-OE1 2.83Å; R435-E531 IonicContact NH1-OE2 3.57Å; R435-E531 PolarHBondContact NH1-OE2 2.88Å; R435-E531 VanDerWaalsContact NH1-OE2 3.1Å; R435-E531 IonicContact NH2-OE1 2.71Å; R435-E531 PolarHBondContact NH2-OE1 3.27Å; R435-N1147 WeakPolarHBondContact CD-OD1 3.38Å
436	A	95.9	Very high	96.2	Very high	12 Å²	12	28.5 Å²	28.5	10%	0.099	14%	0.143	C	C	.	.	H	α-helix	trans	-62.3	-45.9	-178.8	0	0	0	0	0	112.3	H259 I260 N406 G434 I440	H259-A436 HydrophobicContact CB-CB 3.72Å; I260-A436 HydrophobicContact CG1-CB 3.94Å; N406-A436 VanDerWaalsContact OD1-CB 3.27Å; N406-A436 WeakPolarHBondContact OD1-CB 3.46Å; N406-A436 PolarHBondContact OD1-N 3.42Å; G434-A436 PolarHBondContact O-N 3.44Å; A436-I440 VanDerWaalsContact O-CB 3.27Å; A436-I440 WeakPolarHBondContact O-CB 3.15Å; A436-I440 VanDerWaalsContact O-CD1 3.28Å; A436-I440 WeakPolarHBondContact O-CD1 3.45Å; A436-I440 WeakPolarHBondContact O-CG1 3.34Å; A436-I440 PolarHBondContact O-N 2.97Å
437	V	97.4	Very high	96	Very high	5 Å²	5	34.8 Å²	34.8	3%	0.03	19%	0.187	C	C	.	.	H	α-helix	trans	-66.2	-48.4	177.2	176.2	0	0	0	0	110	L213 G433 G434 D439 I440 V441 W452 F455	L213-V437 HydrophobicContact CD1-CG2 3.52Å; G433-V437 VanDerWaalsContact O-CB 3.31Å; G433-V437 WeakPolarHBondContact O-CB 3.25Å; G433-V437 VanDerWaalsContact O-CG2 3.26Å; G433-V437 WeakPolarHBondContact O-CG2 3.43Å; G434-V437 PolarHBondContact O-N 3.46Å; V437-D439 PolarHBondContact O-N 3.21Å; V437-I440 PolarHBondContact O-N 2.89Å; V437-V441 HydrophobicContact CG1-CG2 4.28Å; V437-V441 WeakPolarHBondContact O-CB 3.33Å; V437-V441 VanDerWaalsContact O-CG2 3.27Å; V437-V441 WeakPolarHBondContact O-CG2 3.42Å; V437-V441 PolarHBondContact O-N 2.9Å; V437-W452 HydrophobicContact CG1-CH2 4.12Å; V437-W452 HydrophobicContact CG1-CZ3 3.87Å; V437-F455 HydrophobicContact CG1-CB 3.98Å; V437-F455 HydrophobicContact CG1-CD1 3.69Å; V437-F455 HydrophobicContact CG1-CD2 3.66Å; V437-F455 HydrophobicContact CG1-CE1 4.03Å; V437-F455 HydrophobicContact CG1-CE2 3.99Å; V437-F455 HydrophobicContact CG1-CG 3.49Å; V437-F455 VanDerWaalsContact CG1-CG 3.49Å; V437-F455 HydrophobicContact CG1-CZ 4.17Å; V437-F455 HydrophobicContact CG2-CD1 4.13Å; V437-F455 HydrophobicContact CG2-CE1 4.04Å
438	Y	97.6	Very high	95.7	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-55.3	-55.5	178.5	-170	-83.3	0	0	0	111.5	R431 L432 G434 R435 I440 V441 H442 W452 D527 R529	R431-Y438 HydrophobicContact CB-CD1 4.38Å; R431-Y438 HydrophobicContact CB-CD2 3.8Å; R431-Y438 HydrophobicContact CB-CE2 4.47Å; R431-Y438 HydrophobicContact CB-CG 3.74Å; R431-Y438 HydrophobicContact CG-CD1 4.25Å; R431-Y438 HydrophobicContact CG-CD2 4.3Å; R431-Y438 HydrophobicContact CG-CG 4.1Å; L432-Y438 HydrophobicContact CB-CD2 4.39Å; G434-Y438 WeakPolarHBondContact O-CB 3.43Å; G434-Y438 PolarHBondContact O-N 3.27Å; R435-Y438 PolarHBondContact O-N 2.87Å; Y438-I440 VanDerWaalsContact C-N 3.33Å; Y438-I440 PolarHBondContact O-N 2.82Å; Y438-V441 PolarHBondContact O-N 3.01Å; Y438-V441 VanDerWaalsContact O-N 3.13Å; Y438-H442 AromaticContact CD1-CE1 3.76Å; Y438-H442 AromaticContact CD1-ND1 3.55Å; Y438-H442 AromaticContact CD2-CE1 3.65Å; Y438-H442 AromaticContact CE1-CE1 3.55Å; Y438-H442 AromaticContact CE1-ND1 3.62Å; Y438-H442 AromaticContact CE1-NE2 3.96Å; Y438-H442 AromaticContact CE2-CE1 3.43Å; Y438-H442 VanDerWaalsContact CE2-CE1 3.43Å; Y438-H442 WeakPolarHBondContact CE2-CE1 3.42Å; Y438-H442 AromaticContact CE2-NE2 4Å; Y438-H442 AromaticContact CG-CE1 3.82Å; Y438-H442 AromaticContact CG-ND1 3.83Å; Y438-H442 AromaticContact CZ-CE1 3.38Å; Y438-H442 AromaticContact CZ-ND1 3.95Å; Y438-H442 AromaticContact CZ-NE2 3.64Å; Y438-H442 PolarHBondContact O-N 3.1Å; Y438-H442 PolarHBondContact O-ND1 3.25Å; Y438-W452 HydrophobicContact CD2-CZ2 4.47Å; Y438-D527 PolarHBondContact OH-O 3.31Å; Y438-R529 HydrophobicContact CE2-CB 4.34Å; Y438-R529 WeakPolarHBondContact OH-CD 3.23Å; Y438-R529 PolarHBondContact OH-NH1 3.08Å
439	D	95.2	Very high	95.5	Very high	30 Å²	30	39.3 Å²	39.3	16%	0.16	21%	0.205	C	C	.	.	H	α-helix	trans	-65.3	-36.3	-176.3	-64.3	1.2	0	0	0	110.4	R431 R435 V437 H442 D443	R431-D439 IonicContact CZ-OD1 2.71Å; R431-D439 IonicContact NH1-OD1 2.8Å; R431-D439 PolarHBondContact NH1-OD1 3.39Å; R431-D439 IonicContact NH1-OD2 2.82Å; R435-D439 VanDerWaalsContact CG-OD2 3.26Å; R435-D439 WeakPolarHBondContact CG-OD2 3.21Å; R435-D439 VanDerWaalsContact O-CB 3.25Å; R435-D439 WeakPolarHBondContact O-CB 3.43Å; R435-D439 PolarHBondContact O-N 2.97Å; V437-D439 PolarHBondContact O-N 3.21Å; D439-H442 PolarHBondContact O-N 2.89Å; D439-D443 VanDerWaalsContact O-CB 3.28Å; D439-D443 WeakPolarHBondContact O-CB 3.46Å; D439-D443 PolarHBondContact O-N 2.77Å
440	I	95.8	Very high	95.3	Very high	11 Å²	11	44.4 Å²	44.4	6%	0.056	23%	0.232	C	C	.	.	H	α-helix	trans	-63.1	-41.7	171.8	-71.3	167.6	0	0	0	112.4	L256 A436 V437 Y438 H442 K444 P445 Y446 V449 F455	L256-I440 HydrophobicContact CD2-CD1 3.8Å; A436-I440 VanDerWaalsContact O-CB 3.27Å; A436-I440 WeakPolarHBondContact O-CB 3.15Å; A436-I440 VanDerWaalsContact O-CD1 3.28Å; A436-I440 WeakPolarHBondContact O-CD1 3.45Å; A436-I440 WeakPolarHBondContact O-CG1 3.34Å; A436-I440 PolarHBondContact O-N 2.97Å; V437-I440 PolarHBondContact O-N 2.89Å; Y438-I440 VanDerWaalsContact C-N 3.33Å; Y438-I440 PolarHBondContact O-N 2.82Å; I440-H442 VanDerWaalsContact C-N 3.35Å; I440-K444 VanDerWaalsContact O-CA 3.3Å; I440-K444 WeakPolarHBondContact O-CA 3.33Å; I440-K444 PolarHBondContact O-N 2.84Å; I440-P445 HydrophobicContact CG1-CG 4.28Å; I440-P445 HydrophobicContact CG2-CG 4.47Å; I440-P445 WeakPolarHBondContact O-CD 3.38Å; I440-Y446 HydrophobicContact CD1-CE2 4.11Å; I440-Y446 HydrophobicContact CG1-CE2 4.2Å; I440-Y446 HydrophobicContact CG2-CD2 4.13Å; I440-V449 HydrophobicContact CG2-CG1 4.03Å; I440-F455 HydrophobicContact CG2-CE2 4.41Å; I440-F455 HydrophobicContact CG2-CZ 4.41Å
441	V	96.4	Very high	95.2	Very high	8 Å²	8	44.7 Å²	44.7	5%	0.048	24%	0.236	C	C	.	.	H	α-helix	trans	-67.7	-35.1	-179.7	167.5	0	0	0	0	111.9	V437 Y438 K444 W452 F455	V437-V441 HydrophobicContact CG1-CG2 4.28Å; V437-V441 WeakPolarHBondContact O-CB 3.33Å; V437-V441 VanDerWaalsContact O-CG2 3.27Å; V437-V441 WeakPolarHBondContact O-CG2 3.42Å; V437-V441 PolarHBondContact O-N 2.9Å; Y438-V441 PolarHBondContact O-N 3.01Å; Y438-V441 VanDerWaalsContact O-N 3.13Å; V441-K444 VanDerWaalsContact O-CE 3.22Å; V441-K444 WeakPolarHBondContact O-CE 3.34Å; V441-K444 VanDerWaalsContact O-CG 3.27Å; V441-K444 WeakPolarHBondContact O-CG 3.38Å; V441-W452 HydrophobicContact CG1-CD2 3.95Å; V441-W452 HydrophobicContact CG1-CG 3.86Å; V441-W452 HydrophobicContact CG1-CZ2 4.4Å; V441-W452 HydrophobicContact CG2-CD2 4.28Å; V441-W452 HydrophobicContact CG2-CE3 4.35Å; V441-F455 HydrophobicContact CG2-CD2 3.53Å; V441-F455 HydrophobicContact CG2-CE2 3.66Å
442	H	95	Very high	95.1	Very high	63 Å²	63	44.6 Å²	44.6	29%	0.292	24%	0.235	S	C	.	.	H	α-helix	trans	-86.3	-46.5	-177.7	-66	77.7	0	0	0	112.7	Y438 D439 I440 G526 D527	Y438-H442 AromaticContact CD1-CE1 3.76Å; Y438-H442 AromaticContact CD1-ND1 3.55Å; Y438-H442 AromaticContact CD2-CE1 3.65Å; Y438-H442 AromaticContact CE1-CE1 3.55Å; Y438-H442 AromaticContact CE1-ND1 3.62Å; Y438-H442 AromaticContact CE1-NE2 3.96Å; Y438-H442 AromaticContact CE2-CE1 3.43Å; Y438-H442 VanDerWaalsContact CE2-CE1 3.43Å; Y438-H442 WeakPolarHBondContact CE2-CE1 3.42Å; Y438-H442 AromaticContact CE2-NE2 4Å; Y438-H442 AromaticContact CG-CE1 3.82Å; Y438-H442 AromaticContact CG-ND1 3.83Å; Y438-H442 AromaticContact CZ-CE1 3.38Å; Y438-H442 AromaticContact CZ-ND1 3.95Å; Y438-H442 AromaticContact CZ-NE2 3.64Å; Y438-H442 PolarHBondContact O-N 3.1Å; Y438-H442 PolarHBondContact O-ND1 3.25Å; D439-H442 PolarHBondContact O-N 2.89Å; I440-H442 VanDerWaalsContact C-N 3.35Å; H442-G526 PolarHBondContact CE1-O 3.33Å; H442-D527 IonicContact CD2-OD1 3.18Å; H442-D527 IonicContact NE2-OD1 3.26Å
443	D	92.7	Very high	95	Very high	135 Å²	135	49.1 Å²	49.1	72%	0.722	26%	0.26	S	S	*	.	H	α-helix	trans	-79.3	-20.3	-179.2	-68	-12.1	0	0	0	112.9	D439	D439-D443 VanDerWaalsContact O-CB 3.28Å; D439-D443 WeakPolarHBondContact O-CB 3.46Å; D439-D443 PolarHBondContact O-N 2.77Å
444	K	91.8	Very high	95	Very high	146 Å²	146	49.4 Å²	49.4	64%	0.635	26%	0.261	S	S	*	.			trans	50.9	51.6	178	-56.5	-176.7	-175.6	-174.6	0	114.7	I440 V441 Y446	I440-K444 VanDerWaalsContact O-CA 3.3Å; I440-K444 WeakPolarHBondContact O-CA 3.33Å; I440-K444 PolarHBondContact O-N 2.84Å; V441-K444 VanDerWaalsContact O-CE 3.22Å; V441-K444 WeakPolarHBondContact O-CE 3.34Å; V441-K444 VanDerWaalsContact O-CG 3.27Å; V441-K444 WeakPolarHBondContact O-CG 3.38Å; K444-Y446 PolarHBondContact O-N 3.41Å
445	P	91.6	Very high	95	Very high	73 Å²	73	49.6 Å²	49.6	47%	0.474	26%	0.262	S	S	.	.			trans	-69.4	-14.6	-177.9	30.2	-35.9	0	0	0	114.2	I440	I440-P445 HydrophobicContact CG1-CG 4.28Å; I440-P445 HydrophobicContact CG2-CG 4.47Å; I440-P445 WeakPolarHBondContact O-CD 3.38Å
446	Y	93.6	Very high	95	Very high	46 Å²	46	50.5 Å²	50.5	18%	0.18	27%	0.268	C	S	.	.			trans	-124.4	116.4	-171.6	-55.7	-48.1	0	0	0	112.3	F255 H259 I440 K444 W448 V449	F255-Y446 HydrophobicContact CE1-CD1 4.32Å; F255-Y446 HydrophobicContact CE1-CD2 4.13Å; F255-Y446 AromaticContact CE1-CE1 3.89Å; F255-Y446 HydrophobicContact CE1-CE1 3.89Å; F255-Y446 AromaticContact CE1-CE2 3.68Å; F255-Y446 HydrophobicContact CE1-CE2 3.68Å; F255-Y446 HydrophobicContact CE1-CG 4.45Å; F255-Y446 AromaticContact CE1-CZ 3.56Å; F255-Y446 HydrophobicContact CZ-CD1 4.41Å; F255-Y446 AromaticContact CZ-CE1 3.7Å; F255-Y446 HydrophobicContact CZ-CE1 3.7Å; F255-Y446 HydrophobicContact CZ-CE2 4.2Å; F255-Y446 AromaticContact CZ-CZ 3.58Å; H259-Y446 AromaticContact CE1-CE2 3.83Å; H259-Y446 AromaticContact CE1-CZ 3.95Å; H259-Y446 PolarHBondContact CE1-OH 2.9Å; H259-Y446 AromaticContact NE2-CE2 3.42Å; H259-Y446 WeakPolarHBondContact NE2-CE2 3.48Å; H259-Y446 AromaticContact NE2-CZ 3.5Å; H259-Y446 PolarHBondContact NE2-OH 2.81Å; I440-Y446 HydrophobicContact CD1-CE2 4.11Å; I440-Y446 HydrophobicContact CG1-CE2 4.2Å; I440-Y446 HydrophobicContact CG2-CD2 4.13Å; K444-Y446 PolarHBondContact O-N 3.41Å; Y446-W448 PolarHBondContact O-N 3.15Å; Y446-W448 VanDerWaalsContact O-N 3.07Å; Y446-V449 HydrophobicContact CD2-CG2 4.49Å; Y446-V449 PolarHBondContact O-N 3.14Å
447	S	93.2	Very high	95	Very high	133 Å²	133	50 Å²	50	93%	0.93	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-8.4	-177.7	55.6	0	0	0	0	115.5
448	W	93.4	Very high	95	Very high	82 Å²	82	49.8 Å²	49.8	31%	0.311	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	3.6	175.7	58.2	-92.3	0	0	0	113.4	Y212 K252 F255 L256 Y446	Y212-W448 HydrophobicContact CD1-CZ3 4.46Å; Y212-W448 HydrophobicContact CD2-CZ3 4.16Å; Y212-W448 HydrophobicContact CE1-CZ3 4.02Å; Y212-W448 AromaticContact CE2-CE3 3.95Å; Y212-W448 HydrophobicContact CE2-CE3 3.95Å; Y212-W448 AromaticContact CE2-CZ3 3.7Å; Y212-W448 HydrophobicContact CE2-CZ3 3.7Å; Y212-W448 AromaticContact CZ-CE3 3.84Å; Y212-W448 AromaticContact CZ-CZ3 3.63Å; K252-W448 HydrophobicContact CB-CH2 3.8Å; K252-W448 HydrophobicContact CB-CZ3 3.84Å; K252-W448 HydrophobicContact CD-CE3 4Å; K252-W448 HydrophobicContact CD-CH2 4.46Å; K252-W448 HydrophobicContact CD-CZ3 3.96Å; K252-W448 HydrophobicContact CG-CE3 4.29Å; K252-W448 HydrophobicContact CG-CH2 3.89Å; K252-W448 HydrophobicContact CG-CZ2 4.32Å; K252-W448 HydrophobicContact CG-CZ3 3.89Å; F255-W448 HydrophobicContact CD1-CH2 4.18Å; F255-W448 AromaticContact CD1-CZ2 3.75Å; F255-W448 HydrophobicContact CD1-CZ2 3.75Å; F255-W448 AromaticContact CE1-CZ2 3.9Å; F255-W448 HydrophobicContact CE1-CZ2 3.9Å; L256-W448 HydrophobicContact CD1-CH2 3.81Å; L256-W448 HydrophobicContact CD1-CZ3 4Å; L256-W448 HydrophobicContact CD2-CH2 4.12Å; L256-W448 HydrophobicContact CG-CH2 3.84Å; Y446-W448 PolarHBondContact O-N 3.15Å; Y446-W448 VanDerWaalsContact O-N 3.07Å
449	V	94.9	Very high	94.9	Very high	14 Å²	14	50 Å²	50	9%	0.085	26%	0.264	C	S	.	.			trans	-111.4	106.5	176.8	-179.5	0	0	0	0	109.1	I440 Y446 G451 F455	I440-V449 HydrophobicContact CG2-CG1 4.03Å; Y446-V449 HydrophobicContact CD2-CG2 4.49Å; Y446-V449 PolarHBondContact O-N 3.14Å; V449-G451 VanDerWaalsContact C-N 3.26Å; V449-G451 PolarHBondContact O-N 3.17Å; V449-G451 VanDerWaalsContact O-N 3.11Å; V449-F455 HydrophobicContact CG1-CE2 3.56Å; V449-F455 HydrophobicContact CG1-CZ 4.09Å
450	D	94.4	Very high	95	Very high	106 Å²	106	48.7 Å²	48.7	57%	0.567	26%	0.257	S	S	*	.			trans	-86.3	59.4	178	-174.9	35.7	0	0	0	111.5	W452 N453 S454	D450-W452 PolarHBondContact O-N 3.47Å; D450-N453 HydrophobicContact CB-CB 4.39Å; D450-N453 VanDerWaalsContact O-CB 3.32Å; D450-N453 WeakPolarHBondContact O-CB 3.43Å; D450-N453 PolarHBondContact O-N 2.87Å; D450-N453 PolarHBondContact OD2-ND2 2.58Å; D450-S454 PolarHBondContact N-OG 3.47Å
451	G	94.4	Very high	95.1	Very high	9 Å²	9	48.4 Å²	48.4	9%	0.093	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	47.6	-134.4	178.7	0	0	0	0	0	113.9	V449 N453 S454 F455	V449-G451 VanDerWaalsContact C-N 3.26Å; V449-G451 PolarHBondContact O-N 3.17Å; V449-G451 VanDerWaalsContact O-N 3.11Å; G451-N453 PolarHBondContact O-N 3.07Å; G451-N453 VanDerWaalsContact O-N 3.16Å; G451-S454 WeakPolarHBondContact O-CB 3.24Å; G451-S454 PolarHBondContact O-N 2.89Å; G451-F455 WeakPolarHBondContact O-CD2 3.25Å
452	W	95.9	Very high	95.1	Very high	38 Å²	38	48.2 Å²	48.2	14%	0.144	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-65.5	-10.7	179.6	-75.3	124.1	0	0	0	115.2	L432 V437 Y438 V441 D450 S454 F455 P457 G526	L432-W452 HydrophobicContact CB-CH2 4.23Å; L432-W452 HydrophobicContact CB-CZ2 4.34Å; L432-W452 HydrophobicContact CD2-CH2 4.04Å; L432-W452 HydrophobicContact CD2-CZ2 3.86Å; L432-W452 HydrophobicContact CG-CH2 3.82Å; L432-W452 HydrophobicContact CG-CZ2 4.08Å; L432-W452 WeakPolarHBondContact O-CH2 3.43Å; V437-W452 HydrophobicContact CG1-CH2 4.12Å; V437-W452 HydrophobicContact CG1-CZ3 3.87Å; Y438-W452 HydrophobicContact CD2-CZ2 4.47Å; V441-W452 HydrophobicContact CG1-CD2 3.95Å; V441-W452 HydrophobicContact CG1-CG 3.86Å; V441-W452 HydrophobicContact CG1-CZ2 4.4Å; V441-W452 HydrophobicContact CG2-CD2 4.28Å; V441-W452 HydrophobicContact CG2-CE3 4.35Å; D450-W452 PolarHBondContact O-N 3.47Å; W452-S454 PolarHBondContact O-N 3.12Å; W452-F455 HydrophobicContact CE3-CB 4.11Å; W452-F455 HydrophobicContact CZ3-CB 4.18Å; W452-F455 VanDerWaalsContact O-O 3.09Å; W452-P457 HydrophobicContact CE3-CG 4.32Å; W452-P457 HydrophobicContact CH2-CG 4.42Å; W452-P457 HydrophobicContact CZ3-CG 3.84Å; W452-G526 WeakPolarHBondContact CZ2-O 3.38Å; W452-G526 VanDerWaalsContact NE1-CA 3.28Å; W452-G526 PolarHBondContact NE1-O 3.08Å
453	N	94.9	Very high	95.2	Very high	104 Å²	104	45.2 Å²	45.2	56%	0.556	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-73.7	-17	170.4	-62.1	-31.1	0	0	0	112.1	D450 G451	D450-N453 HydrophobicContact CB-CB 4.39Å; D450-N453 VanDerWaalsContact O-CB 3.32Å; D450-N453 WeakPolarHBondContact O-CB 3.43Å; D450-N453 PolarHBondContact O-N 2.87Å; D450-N453 PolarHBondContact OD2-ND2 2.58Å; G451-N453 PolarHBondContact O-N 3.07Å; G451-N453 VanDerWaalsContact O-N 3.16Å
454	S	96.9	Very high	95.5	Very high	7 Å²	7	39.4 Å²	39.4	5%	0.049	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-99.7	6.4	-178.7	-56.6	0	0	0	0	114.1	K210 Q211 Y212 D450 G451 W452	K210-S454 WeakPolarHBondContact O-CA 3.49Å; Q211-S454 CarbonylContact C-O 3.54Å; Q211-S454 WeakPolarHBondContact CA-O 3.45Å; Y212-S454 PolarHBondContact N-O 2.86Å; D450-S454 PolarHBondContact N-OG 3.47Å; G451-S454 WeakPolarHBondContact O-CB 3.24Å; G451-S454 PolarHBondContact O-N 2.89Å; W452-S454 PolarHBondContact O-N 3.12Å
455	F	97.6	Very high	95.9	Very high	5 Å²	5	32.6 Å²	32.6	2%	0.022	18%	0.179	C	C	.	.			trans	-143.6	171.9	179	-60.3	-75.9	0	0	0	110.7	Q211 L213 L256 V437 I440 V441 V449 G451 W452	Q211-F455 PolarHBondContact NE2-O 3.38Å; L213-F455 HydrophobicContact CD1-CD1 4.21Å; L213-F455 HydrophobicContact CD1-CE1 3.89Å; L213-F455 HydrophobicContact CG-CE1 4.35Å; L256-F455 HydrophobicContact CD1-CE1 4.1Å; L256-F455 HydrophobicContact CD1-CZ 4.27Å; L256-F455 HydrophobicContact CD2-CZ 4.28Å; V437-F455 HydrophobicContact CG1-CB 3.98Å; V437-F455 HydrophobicContact CG1-CD1 3.69Å; V437-F455 HydrophobicContact CG1-CD2 3.66Å; V437-F455 HydrophobicContact CG1-CE1 4.03Å; V437-F455 HydrophobicContact CG1-CE2 3.99Å; V437-F455 HydrophobicContact CG1-CG 3.49Å; V437-F455 VanDerWaalsContact CG1-CG 3.49Å; V437-F455 HydrophobicContact CG1-CZ 4.17Å; V437-F455 HydrophobicContact CG2-CD1 4.13Å; V437-F455 HydrophobicContact CG2-CE1 4.04Å; I440-F455 HydrophobicContact CG2-CE2 4.41Å; I440-F455 HydrophobicContact CG2-CZ 4.41Å; V441-F455 HydrophobicContact CG2-CD2 3.53Å; V441-F455 HydrophobicContact CG2-CE2 3.66Å; V449-F455 HydrophobicContact CG1-CE2 3.56Å; V449-F455 HydrophobicContact CG1-CZ 4.09Å; G451-F455 WeakPolarHBondContact O-CD2 3.25Å; W452-F455 HydrophobicContact CE3-CB 4.11Å; W452-F455 HydrophobicContact CZ3-CB 4.18Å; W452-F455 VanDerWaalsContact O-O 3.09Å
456	N	96.7	Very high	96.2	Very high	30 Å²	30	29.1 Å²	29.1	16%	0.16	16%	0.157	C	C	.	.			trans	-156	83.6	-176.9	-174.9	-17.8	0	0	0	111.9	Q211 Q214 G458 W520	Q211-N456 HydrophobicContact CB-CB 4.22Å; Q211-N456 HydrophobicContact CG-CB 4.19Å; Q211-N456 PolarHBondContact OE1-ND2 3.46Å; Q214-N456 HydrophobicContact CB-CB 4.38Å; Q214-N456 HydrophobicContact CG-CB 4.08Å; N456-G458 PolarHBondContact O-N 2.99Å; N456-G458 VanDerWaalsContact O-N 3.09Å; N456-G458 PolarHBondContact OD1-N 3.38Å; N456-W520 HydrophobicContact CB-CH2 4.46Å; N456-W520 HydrophobicContact CB-CZ2 4.23Å; N456-W520 WeakPolarHBondContact OD1-CH2 3.26Å; N456-W520 WeakPolarHBondContact OD1-CZ3 3.47Å
457	P	96.4	Very high	96.4	Very high	1 Å²	1	27 Å²	27	1%	0.006	15%	0.148	C	C	.	.			trans	-78.9	28.7	173.4	35.5	-37.8	0	0	0	112.3	L432 W452 H459 E460 W520	L432-P457 HydrophobicContact CD1-CB 3.68Å; L432-P457 HydrophobicContact CD1-CG 3.75Å; L432-P457 HydrophobicContact CD2-CG 4.26Å; L432-P457 HydrophobicContact CG-CB 4.15Å; L432-P457 HydrophobicContact CG-CG 3.88Å; W452-P457 HydrophobicContact CE3-CG 4.32Å; W452-P457 HydrophobicContact CH2-CG 4.42Å; W452-P457 HydrophobicContact CZ3-CG 3.84Å; P457-H459 PolarHBondContact O-N 3.42Å; P457-H459 VanDerWaalsContact O-N 3.15Å; P457-E460 HydrophobicContact CB-CB 4.48Å; P457-E460 HydrophobicContact CB-CG 4.27Å; P457-E460 WeakPolarHBondContact O-CB 3.39Å; P457-E460 PolarHBondContact O-N 3.3Å; P457-W520 HydrophobicContact CG-CB 3.76Å; P457-W520 HydrophobicContact CG-CD2 4.03Å; P457-W520 HydrophobicContact CG-CE3 4.47Å; P457-W520 HydrophobicContact CG-CG 3.67Å
458	G	95.8	Very high	96.7	Very high	1 Å²	1	21 Å²	21	1%	0.01	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21	-175.6	0	0	0	0	0	114.9	N456 W517 L518 W520	N456-G458 PolarHBondContact O-N 2.99Å; N456-G458 VanDerWaalsContact O-N 3.09Å; N456-G458 PolarHBondContact OD1-N 3.38Å; G458-W517 WeakPolarHBondContact O-CA 3.31Å; G458-L518 PolarHBondContact O-N 2.99Å; G458-W520 VanDerWaalsContact CA-CZ3 3.4Å
459	H	96.1	Very high	96.9	Very high	7 Å²	7	17.1 Å²	17.1	3%	0.032	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-13.2	173.9	-78.1	-58.7	0	0	0	114.1	E267 Y271 A322 D323 P457 W517	E267-H459 HydrophobicContact CB-CB 4.36Å; E267-H459 HydrophobicContact CG-CB 4.5Å; E267-H459 IonicContact OE1-CD2 3.41Å; E267-H459 PolarHBondContact OE1-CD2 3.32Å; Y271-H459 HydrophobicContact CD2-CB 4.41Å; Y271-H459 AromaticContact CD2-CG 3.92Å; Y271-H459 AromaticContact CD2-ND1 3.91Å; Y271-H459 AromaticContact CE1-NE2 3.96Å; Y271-H459 AromaticContact CE2-CE1 3.3Å; Y271-H459 WeakPolarHBondContact CE2-CE1 3.28Å; Y271-H459 AromaticContact CE2-CG 3.89Å; Y271-H459 AromaticContact CE2-ND1 3.41Å; Y271-H459 WeakPolarHBondContact CE2-ND1 3.41Å; Y271-H459 AromaticContact CE2-NE2 3.76Å; Y271-H459 AromaticContact CZ-CE1 3.36Å; Y271-H459 AromaticContact CZ-ND1 3.97Å; Y271-H459 AromaticContact CZ-NE2 3.61Å; Y271-H459 PolarHBondContact OH-CE1 2.85Å; A322-H459 WeakPolarHBondContact CB-O 3.49Å; D323-H459 HydrophobicContact CB-CB 4.2Å; D323-H459 PolarHBondContact N-O 2.7Å; D323-H459 VanDerWaalsContact N-O 3.1Å; D323-H459 IonicContact OD2-CE1 3.04Å; D323-H459 IonicContact OD2-CG 3.76Å; D323-H459 IonicContact OD2-ND1 3.83Å; D323-H459 PolarHBondContact OD2-ND1 3.06Å; P457-H459 PolarHBondContact O-N 3.42Å; P457-H459 VanDerWaalsContact O-N 3.15Å; H459-W517 AromaticContact CE1-CH2 3.52Å; H459-W517 AromaticContact CE1-CZ3 3.28Å; H459-W517 WeakPolarHBondContact CE1-CZ3 3.37Å; H459-W517 AromaticContact ND1-CZ3 3.47Å; H459-W517 WeakPolarHBondContact ND1-CZ3 3.48Å
460	E	97.3	Very high	97	Very high	3 Å²	3	16.5 Å²	16.5	1%	0.014	9%	0.088	C	C	.	.			trans	-67.1	158.9	172.3	-77.1	-142.8	-101.3	0	0	111.9	K428 G433 P457 K485 L518	K428-E460 IonicContact NZ-OE2 2.59Å; K428-E460 PolarHBondContact NZ-OE2 2.87Å; G433-E460 PolarHBondContact N-OE1 3.19Å; P457-E460 HydrophobicContact CB-CB 4.48Å; P457-E460 HydrophobicContact CB-CG 4.27Å; P457-E460 WeakPolarHBondContact O-CB 3.39Å; P457-E460 PolarHBondContact O-N 3.3Å; E460-K485 VanDerWaalsContact O-CD 3.31Å; E460-K485 WeakPolarHBondContact O-CD 3.27Å; E460-K485 WeakPolarHBondContact O-CE 3.28Å; E460-L518 HydrophobicContact CB-CD2 4.19Å
461	H	97.3	Very high	97.1	Very high	6 Å²	6	11.4 Å²	11.4	3%	0.028	6%	0.061	C	C	.	.			trans	-109.7	157.5	-178.5	-79.2	-154.9	0	0	0	112	D463 L481 K485 N490	H461-D463 HydrophobicContact CB-CB 3.73Å; H461-D463 PolarHBondContact O-N 2.94Å; H461-L481 VanDerWaalsContact NE2-C 3.27Å; H461-L481 PolarHBondContact NE2-O 2.83Å; H461-K485 VanDerWaalsContact CD2-CD 3.46Å; H461-K485 WeakPolarHBondContact CD2-CD 3.13Å; H461-K485 VanDerWaalsContact CD2-CE 3.45Å; H461-K485 WeakPolarHBondContact CD2-CE 3.32Å; H461-N490 PolarHBondContact CE1-ND2 3.39Å; H461-N490 VanDerWaalsContact CE1-ND2 3.28Å; H461-N490 PolarHBondContact CE1-OD1 2.77Å; H461-N490 PolarHBondContact ND1-OD1 3.4Å
462	P	97.4	Very high	97.1	Very high	3 Å²	3	11.8 Å²	11.8	2%	0.019	6%	0.061	C	C	.	.	S	Bend	trans	-73.5	68.5	162.3	31.1	-34.1	0	0	0	109.9	K485 N490 Q510 E513	P462-K485 HydrophobicContact CG-CB 4.49Å; P462-N490 PolarHBondContact O-ND2 3.07Å; P462-Q510 VanDerWaalsContact C-OE1 3.26Å; P462-Q510 HydrophobicContact CB-CB 3.85Å; P462-E513 HydrophobicContact CB-CB 4.28Å; P462-E513 HydrophobicContact CG-CB 4.12Å
463	D	98	Very high	96.9	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.063	C	C	.	.			trans	-123	14.8	-165.4	64.3	-0.4	0	0	0	113.9	K428 H461 N465 S466 N490	K428-D463 VanDerWaalsContact CD-CG 3.5Å; K428-D463 WeakPolarHBondContact CD-OD1 3.5Å; K428-D463 VanDerWaalsContact CD-OD2 3.31Å; K428-D463 WeakPolarHBondContact CD-OD2 3.32Å; K428-D463 WeakPolarHBondContact CE-OD1 3.41Å; K428-D463 IonicContact NZ-OD1 3.9Å; K428-D463 PolarHBondContact NZ-OD1 3.22Å; K428-D463 IonicContact NZ-OD2 2.69Å; K428-D463 PolarHBondContact NZ-OD2 2.77Å; H461-D463 HydrophobicContact CB-CB 3.73Å; H461-D463 PolarHBondContact O-N 2.94Å; D463-N465 PolarHBondContact O-N 3.47Å; D463-S466 WeakPolarHBondContact O-CB 3.42Å; D463-S466 PolarHBondContact O-N 2.67Å; D463-S466 PolarHBondContact O-OG 3.26Å; D463-N490 HydrophobicContact CB-CB 3.98Å
464	Q	98.6	Very high	96.9	Very high	13 Å²	13	7.8 Å²	7.8	6%	0.061	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	134.6	-176.8	-51.8	-57.9	-24	0	0	110.9	G430 S466 V492 Q510 A548 A551	G430-Q464 PolarHBondContact O-OE1 3.03Å; Q464-S466 VanDerWaalsContact C-N 3.33Å; Q464-V492 VanDerWaalsContact O-CG1 3.3Å; Q464-V492 WeakPolarHBondContact O-CG1 3.33Å; Q464-Q510 PolarHBondContact O-NE2 2.94Å; Q464-A548 HydrophobicContact CB-CB 4.05Å; Q464-A551 HydrophobicContact CB-CB 3.98Å; Q464-A551 HydrophobicContact CG-CB 3.87Å
465	N	98.7	Very high	96.7	Very high	4 Å²	4	7.9 Å²	7.9	2%	0.021	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	19.3	-163.3	-70	-2.4	0	0	0	115.7	F427 K428 S429 D463 G546 A548 V561 R563	F427-N465 HydrophobicContact CE2-CB 4.25Å; F427-N465 HydrophobicContact CZ-CB 4.26Å; F427-N465 WeakPolarHBondContact CZ-OD1 3.3Å; K428-N465 CarbonylContact O-C 3.55Å; K428-N465 WeakPolarHBondContact O-CA 3.4Å; K428-N465 PolarHBondContact O-N 2.8Å; S429-N465 VanDerWaalsContact CB-OD1 3.23Å; S429-N465 WeakPolarHBondContact CB-OD1 3.5Å; S429-N465 PolarHBondContact OG-OD1 3.12Å; D463-N465 PolarHBondContact O-N 3.47Å; N465-G546 PolarHBondContact ND2-O 3.48Å; N465-G546 VanDerWaalsContact ND2-O 3.1Å; N465-G546 PolarHBondContact OD1-O 3.15Å; N465-A548 HydrophobicContact CB-CB 4.19Å; N465-A548 WeakPolarHBondContact ND2-CB 3.43Å; N465-V561 PolarHBondContact ND2-O 3.31Å; N465-R563 HydrophobicContact CB-CB 4.04Å; N465-R563 PolarHBondContact ND2-N 3.45Å; N465-R563 WeakPolarHBondContact O-CD 3.41Å; N465-R563 PolarHBondContact O-NH1 3.46Å
466	S	98.7	Very high	96.6	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.044	C	C	.	.			trans	-66.7	162.6	168.3	84.2	0	0	0	0	112.1	F427 K428 D463 Q464 E479	F427-S466 WeakPolarHBondContact CA-O 3.33Å; F427-S466 VanDerWaalsContact CD2-O 3.32Å; F427-S466 WeakPolarHBondContact CD2-O 3.37Å; K428-S466 PolarHBondContact N-O 3.48Å; D463-S466 WeakPolarHBondContact O-CB 3.42Å; D463-S466 PolarHBondContact O-N 2.67Å; D463-S466 PolarHBondContact O-OG 3.26Å; Q464-S466 VanDerWaalsContact C-N 3.33Å; S466-E479 VanDerWaalsContact CB-OE1 3.24Å; S466-E479 WeakPolarHBondContact CB-OE1 3.43Å; S466-E479 PolarHBondContact OG-OE1 2.79Å
467	F	98.8	Very high	96.7	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	157.7	171.3	71.8	-84.9	0	0	0	111.3	S426 F427 V477 N491 L565 L573 V575 F594 F674	S426-F467 WeakPolarHBondContact O-CA 3.15Å; S426-F467 WeakPolarHBondContact O-CB 3.32Å; F427-F467 HydrophobicContact CD2-CB 4.29Å; F467-V477 HydrophobicContact CE2-CB 4.33Å; F467-V477 HydrophobicContact CE2-CG1 4.11Å; F467-V477 HydrophobicContact CE2-CG2 4.34Å; F467-V477 HydrophobicContact CZ-CG1 4.43Å; F467-N491 PolarHBondContact O-ND2 3.31Å; F467-L565 HydrophobicContact CB-CD1 4.5Å; F467-L565 HydrophobicContact CB-CD2 3.71Å; F467-L565 HydrophobicContact CD1-CD1 4.43Å; F467-L565 HydrophobicContact CD2-CD2 4.17Å; F467-L565 HydrophobicContact CG-CD1 4.45Å; F467-L565 HydrophobicContact CG-CD2 3.99Å; F467-L573 HydrophobicContact CD2-CD2 4.13Å; F467-L573 HydrophobicContact CE2-CD2 4Å; F467-V575 HydrophobicContact CE1-CG1 4.36Å; F467-V575 HydrophobicContact CE1-CG2 4.14Å; F467-V575 HydrophobicContact CE2-CG2 4.17Å; F467-V575 HydrophobicContact CZ-CG2 3.81Å; F467-F594 HydrophobicContact CE1-CD1 4.08Å; F467-F594 AromaticContact CE1-CE1 3.82Å; F467-F594 HydrophobicContact CE1-CE1 3.82Å; F467-F594 AromaticContact CZ-CD1 3.85Å; F467-F594 HydrophobicContact CZ-CD1 3.85Å; F467-F594 AromaticContact CZ-CE1 3.85Å; F467-F594 HydrophobicContact CZ-CE1 3.85Å; F467-F674 HydrophobicContact CE2-CE2 4.35Å; F467-F674 HydrophobicContact CE2-CZ 4.39Å; F467-F674 AromaticContact CZ-CE2 3.88Å; F467-F674 HydrophobicContact CZ-CE2 3.88Å; F467-F674 AromaticContact CZ-CZ 3.8Å; F467-F674 HydrophobicContact CZ-CZ 3.8Å
468	T	98.4	Very high	96.6	Very high	7 Å²	7	6.8 Å²	6.8	4%	0.043	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	155.7	165.4	69.6	0	0	0	0	110.5	F424 V425 S426 V477 E479	F424-T468 WeakPolarHBondContact CE1-OG1 3.13Å; V425-T468 WeakPolarHBondContact CA-O 3.49Å; S426-T468 PolarHBondContact N-O 2.81Å; S426-T468 VanDerWaalsContact N-O 3.14Å; S426-T468 PolarHBondContact O-N 3.31Å; S426-T468 VanDerWaalsContact O-N 3.16Å; S426-T468 WeakPolarHBondContact OG-CB 3.13Å; S426-T468 PolarHBondContact OG-N 3.1Å; S426-T468 PolarHBondContact OG-OG1 3.38Å; T468-V477 WeakPolarHBondContact CA-O 3.24Å; T468-V477 WeakPolarHBondContact CB-O 3.21Å; T468-E479 HydrophobicContact CG2-CG 3.76Å
469	F	98.3	Very high	96.5	Very high	1 Å²	1	6.9 Å²	6.9	0%	0.004	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	117.4	178	-176.7	-141.4	0	0	0	110.2	T423 V425 P471 F476 V477 L567 L573 F674	T423-F469 HydrophobicContact CG2-CD2 4.26Å; T423-F469 HydrophobicContact CG2-CE2 3.74Å; V425-F469 HydrophobicContact CG2-CD2 3.98Å; V425-F469 HydrophobicContact CG2-CE2 4.38Å; F469-P471 HydrophobicContact CD1-CG 4.2Å; F469-P471 HydrophobicContact CE1-CB 4.25Å; F469-P471 HydrophobicContact CE1-CG 3.82Å; F469-P471 HydrophobicContact CE2-CB 4.01Å; F469-P471 HydrophobicContact CE2-CG 4.23Å; F469-P471 HydrophobicContact CZ-CB 3.76Å; F469-P471 HydrophobicContact CZ-CG 3.84Å; F469-P471 WeakPolarHBondContact O-CD 3.3Å; F469-F476 HydrophobicContact CD1-CD1 4.11Å; F469-F476 HydrophobicContact CE1-CD1 4.36Å; F469-F476 PolarHBondContact O-N 3.04Å; F469-V477 HydrophobicContact CB-CB 4.26Å; F469-V477 PolarHBondContact N-O 2.79Å; F469-V477 PolarHBondContact O-N 3.06Å; F469-L567 HydrophobicContact CE2-CD1 3.92Å; F469-L567 HydrophobicContact CZ-CD1 4.42Å; F469-L573 HydrophobicContact CB-CD2 4Å; F469-L573 HydrophobicContact CD1-CB 4.16Å; F469-L573 HydrophobicContact CD1-CD2 4.06Å; F469-L573 HydrophobicContact CD2-CB 4.41Å; F469-L573 HydrophobicContact CD2-CD2 4.09Å; F469-L573 HydrophobicContact CE1-CB 3.83Å; F469-L573 HydrophobicContact CE2-CB 4.08Å; F469-L573 HydrophobicContact CG-CB 4.45Å; F469-L573 HydrophobicContact CG-CD2 3.8Å; F469-L573 HydrophobicContact CZ-CB 3.78Å; F469-F674 HydrophobicContact CD1-CB 3.82Å; F469-F674 HydrophobicContact CD1-CG 4.47Å; F469-F674 HydrophobicContact CE1-CB 3.69Å
470	A	97.1	Very high	96	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.008	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	75.6	176	0	0	0	0	0	111.4	L312 T423 F424 G473 Q474 V475	L312-A470 HydrophobicContact CD2-CB 4.23Å; T423-A470 WeakPolarHBondContact CA-O 3.27Å; F424-A470 HydrophobicContact CB-CB 4.17Å; F424-A470 PolarHBondContact N-O 3.27Å; F424-A470 VanDerWaalsContact N-O 3.11Å; F424-A470 PolarHBondContact O-N 3.22Å; A470-G473 PolarHBondContact O-N 3.45Å; A470-G473 VanDerWaalsContact O-N 3.16Å; A470-Q474 CarbonylContact C-O 3.54Å; A470-Q474 VanDerWaalsContact C-O 3.29Å; A470-Q474 WeakPolarHBondContact CA-O 3.07Å; A470-V475 HydrophobicContact CB-CG2 4.12Å
471	P	95.9	Very high	95.7	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.041	C	C	.	.	G	3₁₀ helix	trans	-62.6	133.2	176.5	24.6	-32.3	0	0	0	112	T423 F469 G473 Q474 F476 Q571 Y624	T423-P471 WeakPolarHBondContact OG1-CA 3.25Å; F469-P471 HydrophobicContact CD1-CG 4.2Å; F469-P471 HydrophobicContact CE1-CB 4.25Å; F469-P471 HydrophobicContact CE1-CG 3.82Å; F469-P471 HydrophobicContact CE2-CB 4.01Å; F469-P471 HydrophobicContact CE2-CG 4.23Å; F469-P471 HydrophobicContact CZ-CB 3.76Å; F469-P471 HydrophobicContact CZ-CG 3.84Å; F469-P471 WeakPolarHBondContact O-CD 3.3Å; P471-G473 PolarHBondContact O-N 3.39Å; P471-Q474 WeakPolarHBondContact CD-O 3.49Å; P471-Q474 PolarHBondContact O-N 2.83Å; P471-Q474 VanDerWaalsContact O-N 3.16Å; P471-F476 HydrophobicContact CG-CB 4.15Å; P471-Q571 HydrophobicContact CB-CG 4.25Å; P471-Y624 HydrophobicContact CB-CE1 4.2Å; P471-Y624 HydrophobicContact CG-CD1 3.69Å; P471-Y624 HydrophobicContact CG-CE1 3.69Å
472	N	93.8	Very high	95.4	Very high	17 Å²	17	7.2 Å²	7.2	9%	0.091	4%	0.043	C	C	.	.	G	3₁₀ helix	trans	59.6	14.8	-172.8	-44.7	-60.2	0	0	0	114.5	G419 S421 N422 T423 Q474 Q571 Y624	G419-N472 CarbonylContact O-C 3.27Å; S421-N472 PolarHBondContact N-OD1 2.99Å; N422-N472 CarbonylContact O-C 3.44Å; N422-N472 VanDerWaalsContact O-CA 3.32Å; N422-N472 WeakPolarHBondContact O-CA 3.43Å; T423-N472 PolarHBondContact OG1-N 3.15Å; N472-Q474 PolarHBondContact O-N 2.73Å; N472-Q571 PolarHBondContact ND2-OE1 3.33Å; N472-Q571 WeakPolarHBondContact OD1-CG 3.4Å; N472-Q571 PolarHBondContact OD1-NE2 2.21Å; N472-Q571 PolarHBondContact OD1-OE1 3.17Å; N472-Y624 PolarHBondContact ND2-OH 2.97Å
473	G	92.9	Very high	95	Very high	20 Å²	20	7.2 Å²	7.2	21%	0.206	4%	0.043	C	C	.	.	G	3₁₀ helix	trans	83.1	-11.5	-173.6	0	0	0	0	0	114.2	N422 A470 P471 V475	N422-G473 PolarHBondContact O-N 3.18Å; A470-G473 PolarHBondContact O-N 3.45Å; A470-G473 VanDerWaalsContact O-N 3.16Å; P471-G473 PolarHBondContact O-N 3.39Å; G473-V475 PolarHBondContact O-N 3.41Å
474	Q	93.8	Very high	94.7	Very high	37 Å²	37	8.7 Å²	8.7	17%	0.173	5%	0.052	C	C	.	.			trans	-73.8	118.9	170.2	177.6	52.3	52	0	0	108.8	A470 P471 N472 F476 M617 V619 Y624	A470-Q474 CarbonylContact C-O 3.54Å; A470-Q474 VanDerWaalsContact C-O 3.29Å; A470-Q474 WeakPolarHBondContact CA-O 3.07Å; P471-Q474 WeakPolarHBondContact CD-O 3.49Å; P471-Q474 PolarHBondContact O-N 2.83Å; P471-Q474 VanDerWaalsContact O-N 3.16Å; N472-Q474 PolarHBondContact O-N 2.73Å; Q474-F476 PolarHBondContact O-N 3.27Å; Q474-M617 HydrophobicContact CG-CE 3.92Å; Q474-V619 HydrophobicContact CG-CG1 4.48Å; Q474-V619 HydrophobicContact CG-CG2 4.17Å; Q474-Y624 HydrophobicContact CB-CE1 4.36Å; Q474-Y624 HydrophobicContact CB-CE2 4.21Å; Q474-Y624 HydrophobicContact CG-CD2 4.41Å; Q474-Y624 HydrophobicContact CG-CE2 3.84Å
475	V	93.9	Very high	94.5	Very high	9 Å²	9	8 Å²	8	6%	0.055	5%	0.049	C	C	.	.			trans	-63.1	123	174.5	178.4	0	0	0	0	108.7	L312 A470 G473 M617	L312-V475 HydrophobicContact CD2-CG2 3.66Å; A470-V475 HydrophobicContact CB-CG2 4.12Å; G473-V475 PolarHBondContact O-N 3.41Å; V475-M617 WeakPolarHBondContact O-CE 3.42Å
476	F	96.1	Very high	94.3	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.06	C	C	.	.	S	Bend	trans	-115.5	-37.5	177	-179.1	-146.5	0	0	0	111.5	F469 P471 Q474 Y603 M617 Y624 M626 F674	F469-F476 HydrophobicContact CD1-CD1 4.11Å; F469-F476 HydrophobicContact CE1-CD1 4.36Å; F469-F476 PolarHBondContact O-N 3.04Å; P471-F476 HydrophobicContact CG-CB 4.15Å; Q474-F476 PolarHBondContact O-N 3.27Å; F476-Y603 HydrophobicContact CD2-CE1 4.14Å; F476-Y603 HydrophobicContact CE2-CD1 4.47Å; F476-Y603 AromaticContact CE2-CE1 3.83Å; F476-Y603 HydrophobicContact CE2-CE1 3.83Å; F476-Y603 PolarHBondContact O-OH 3.04Å; F476-M617 HydrophobicContact CB-CE 4.03Å; F476-M617 HydrophobicContact CD2-CB 3.95Å; F476-M617 HydrophobicContact CD2-CE 3.65Å; F476-M617 HydrophobicContact CD2-SD 4.08Å; F476-M617 HydrophobicContact CE2-CB 3.8Å; F476-M617 HydrophobicContact CG-CE 4.2Å; F476-Y624 HydrophobicContact CG-CG 4.47Å; F476-M626 HydrophobicContact CE1-CB 4.38Å; F476-M626 HydrophobicContact CE1-CE 4.42Å; F476-M626 HydrophobicContact CE2-CE 3.84Å; F476-M626 HydrophobicContact CZ-CB 4.05Å; F476-M626 HydrophobicContact CZ-CE 3.73Å; F476-M626 HydrophobicContact CZ-CG 4.38Å; F476-F674 HydrophobicContact CD1-CB 4.43Å; F476-F674 HydrophobicContact CD1-CD1 4.38Å; F476-F674 HydrophobicContact CE1-CB 4.04Å; F476-F674 AromaticContact CE1-CD1 3.91Å; F476-F674 HydrophobicContact CE1-CD1 3.91Å; F476-F674 HydrophobicContact CE1-CG 4.49Å
477	V	97.2	Very high	94.3	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.06	C	C	.	.	B	Isolated β-bridge	trans	-124.1	121.9	166.6	-178	0	0	0	0	108.2	F467 T468 F469 N491 H595 M626 F674	F467-V477 HydrophobicContact CE2-CB 4.33Å; F467-V477 HydrophobicContact CE2-CG1 4.11Å; F467-V477 HydrophobicContact CE2-CG2 4.34Å; F467-V477 HydrophobicContact CZ-CG1 4.43Å; T468-V477 WeakPolarHBondContact CA-O 3.24Å; T468-V477 WeakPolarHBondContact CB-O 3.21Å; F469-V477 HydrophobicContact CB-CB 4.26Å; F469-V477 PolarHBondContact N-O 2.79Å; F469-V477 PolarHBondContact O-N 3.06Å; V477-N491 WeakPolarHBondContact CG1-OD1 3.44Å; V477-H595 WeakPolarHBondContact CA-O 3.38Å; V477-M626 HydrophobicContact CG2-CE 4.47Å; V477-F674 HydrophobicContact CG2-CD1 3.9Å; V477-F674 HydrophobicContact CG2-CE1 3.71Å
478	S	94.6	Very high	94.1	Very high	13 Å²	13	13.3 Å²	13.3	9%	0.091	7%	0.07	C	C	.	.			trans	-116.8	158.8	-179.1	76.1	0	0	0	0	111.3	N491 H595 L597	S478-N491 PolarHBondContact O-ND2 2.95Å; S478-H595 PolarHBondContact N-O 3Å; S478-H595 VanDerWaalsContact O-CB 3.3Å; S478-H595 WeakPolarHBondContact O-CB 3.48Å; S478-L597 PolarHBondContact OG-N 3.47Å
479	E	93	Very high	93.9	Very high	4 Å²	4	13.2 Å²	13.2	2%	0.019	7%	0.069	C	C	.	.			trans	-69	166	156.5	-58.3	-58	178.8	0	0	110.3	I321 S466 T468 N491 L597	I321-E479 HydrophobicContact CG1-CG 4.2Å; S466-E479 VanDerWaalsContact CB-OE1 3.24Å; S466-E479 WeakPolarHBondContact CB-OE1 3.43Å; S466-E479 PolarHBondContact OG-OE1 2.79Å; T468-E479 HydrophobicContact CG2-CG 3.76Å; E479-N491 PolarHBondContact OE2-ND2 3Å; E479-L597 WeakPolarHBondContact O-CD1 3.24Å
480	A	86.7	Confident	93.8	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.008	7%	0.069	C	C	.	.			trans	-83.4	-8.5	176.9	0	0	0	0	0	114.3	L489 T654	A480-L489 WeakPolarHBondContact CB-O 3.25Å; A480-T654 HydrophobicContact CB-CG2 4.48Å
481	L	90.7	Very high	93.9	Very high	8 Å²	8	13.1 Å²	13.1	4%	0.042	7%	0.068	C	C	.	.			trans	60.9	-166.2	-173.2	-48.9	174.5	0	0	0	112.4	S324 N325 Y326 H461 G483 L597	S324-L481 WeakPolarHBondContact O-CB 3.22Å; N325-L481 WeakPolarHBondContact O-CD2 3.41Å; Y326-L481 HydrophobicContact CD1-CD1 3.84Å; Y326-L481 HydrophobicContact CD2-CD1 4.22Å; Y326-L481 HydrophobicContact CE1-CD1 3.95Å; Y326-L481 HydrophobicContact CE2-CD1 4.31Å; Y326-L481 HydrophobicContact CG-CD1 3.98Å; H461-L481 VanDerWaalsContact NE2-C 3.27Å; H461-L481 PolarHBondContact NE2-O 2.83Å; L481-G483 PolarHBondContact O-N 3Å; L481-L597 HydrophobicContact CB-CD1 4.39Å; L481-L597 HydrophobicContact CD1-CD1 3.55Å; L481-L597 HydrophobicContact CG-CD1 3.51Å
482	Y	90.5	Very high	94	Very high	14 Å²	14	13.2 Å²	13.2	6%	0.055	7%	0.069	C	C	.	.	S	Bend	trans	-41.6	122.4	-178.5	-166.9	-60.4	0	0	0	113.2	Y271 D323 S324 W517 A647 E648	Y271-Y482 HydrophobicContact CE2-CD2 4.36Å; Y271-Y482 HydrophobicContact CE2-CE2 4.19Å; D323-Y482 HydrophobicContact CB-CD2 3.64Å; D323-Y482 HydrophobicContact CB-CE2 3.98Å; D323-Y482 HydrophobicContact CB-CG 4.14Å; D323-Y482 WeakPolarHBondContact OD1-CA 3.47Å; S324-Y482 VanDerWaalsContact O-CB 3.31Å; S324-Y482 WeakPolarHBondContact O-CB 3.39Å; S324-Y482 PolarHBondContact O-N 2.55Å; Y482-W517 WeakPolarHBondContact OH-CH2 3.29Å; Y482-W517 WeakPolarHBondContact OH-CZ3 3.08Å; Y482-A647 HydrophobicContact CD1-CB 3.72Å; Y482-A647 HydrophobicContact CG-CB 4.19Å; Y482-E648 HydrophobicContact CD1-CG 4.48Å; Y482-E648 HydrophobicContact CD2-CG 3.79Å; Y482-E648 HydrophobicContact CE1-CG 4.46Å; Y482-E648 HydrophobicContact CE2-CG 3.7Å; Y482-E648 HydrophobicContact CG-CG 4.23Å
483	G	89.7	Confident	94.2	Very high	2 Å²	2	12.6 Å²	12.6	2%	0.021	7%	0.065	C	C	.	.			trans	-165.4	173.8	-176.4	0	0	0	0	0	114.5	D323 L481 K485	D323-G483 PolarHBondContact OD1-N 3.06Å; L481-G483 PolarHBondContact O-N 3Å; G483-K485 PolarHBondContact O-NZ 3.44Å
484	P	91.3	Very high	94.5	Very high	31 Å²	31	12 Å²	12	20%	0.201	6%	0.058	C	C	.	.			trans	-64.9	146	165.4	30.7	-33.6	0	0	0	109.9	Y486 L489	P484-Y486 HydrophobicContact CB-CD2 3.99Å; P484-Y486 HydrophobicContact CB-CE2 3.63Å; P484-Y486 HydrophobicContact CG-CD2 3.73Å; P484-Y486 HydrophobicContact CG-CE2 3.5Å; P484-Y486 VanDerWaalsContact CG-CE2 3.5Å; P484-Y486 PolarHBondContact O-N 2.88Å; P484-L489 HydrophobicContact CG-CD1 3.95Å
485	K	94.8	Very high	94.7	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.049	C	C	.	.	B	Isolated β-bridge	trans	-79.8	85.8	-174.3	-53.4	-50.1	179.3	-85.1	0	110.2	D323 E460 H461 P462 G483 E513 C514 A515 K516 L518	D323-K485 IonicContact OD1-NZ 2.84Å; D323-K485 PolarHBondContact OD1-NZ 3.32Å; D323-K485 WeakPolarHBondContact OD2-CE 3.4Å; D323-K485 IonicContact OD2-NZ 2.72Å; D323-K485 PolarHBondContact OD2-NZ 3.16Å; E460-K485 VanDerWaalsContact O-CD 3.31Å; E460-K485 WeakPolarHBondContact O-CD 3.27Å; E460-K485 WeakPolarHBondContact O-CE 3.28Å; H461-K485 VanDerWaalsContact CD2-CD 3.46Å; H461-K485 WeakPolarHBondContact CD2-CD 3.13Å; H461-K485 VanDerWaalsContact CD2-CE 3.45Å; H461-K485 WeakPolarHBondContact CD2-CE 3.32Å; P462-K485 HydrophobicContact CG-CB 4.49Å; G483-K485 PolarHBondContact O-NZ 3.44Å; K485-E513 CarbonylContact O-C 3.6Å; K485-E513 VanDerWaalsContact O-CA 3.23Å; K485-E513 WeakPolarHBondContact O-CA 3.38Å; K485-E513 WeakPolarHBondContact O-CB 3.23Å; K485-C514 PolarHBondContact O-N 2.97Å; K485-A515 PolarHBondContact N-O 3.37Å; K485-K516 PolarHBondContact NZ-O 2.96Å; K485-L518 HydrophobicContact CG-CB 4.44Å
486	Y	95.4	Very high	94.9	Very high	61 Å²	61	10.3 Å²	10.3	24%	0.239	5%	0.051	C	C	.	.			trans	-121.9	137.5	169.1	-54.7	-62.7	0	0	0	109.8	P484 Y488 L489 N490 C503	P484-Y486 HydrophobicContact CB-CD2 3.99Å; P484-Y486 HydrophobicContact CB-CE2 3.63Å; P484-Y486 HydrophobicContact CG-CD2 3.73Å; P484-Y486 HydrophobicContact CG-CE2 3.5Å; P484-Y486 VanDerWaalsContact CG-CE2 3.5Å; P484-Y486 PolarHBondContact O-N 2.88Å; Y486-Y488 VanDerWaalsContact C-N 3.26Å; Y486-Y488 VanDerWaalsContact CB-CE1 3.4Å; Y486-Y488 HydrophobicContact CD1-CE1 4.15Å; Y486-Y488 AromaticContact CD2-CE1 3.84Å; Y486-Y488 HydrophobicContact CD2-CE1 3.84Å; Y486-Y488 AromaticContact CD2-CZ 3.78Å; Y486-Y488 WeakPolarHBondContact CD2-OH 3.46Å; Y486-Y488 HydrophobicContact CG-CD1 4.29Å; Y486-Y488 AromaticContact CG-CE1 3.57Å; Y486-Y488 HydrophobicContact CG-CE1 3.57Å; Y486-Y488 PolarHBondContact O-N 2.99Å; Y486-L489 HydrophobicContact CD2-CD1 3.78Å; Y486-L489 HydrophobicContact CD2-CG 4.41Å; Y486-L489 PolarHBondContact O-N 3.14Å; Y486-L489 VanDerWaalsContact O-N 3.11Å; Y486-N490 PolarHBondContact O-ND2 2.69Å; Y486-N490 VanDerWaalsContact O-ND2 3.1Å; Y486-C503 HydrophobicContact CE1-CB 4.43Å; Y486-C503 VanDerWaalsContact CE1-SG 3.59Å
487	S	97	Very high	95	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	-63.9	-33.4	-178.7	-47.7	0	0	0	0	112.1	L489 N490 V492 G509 Q510 E513	S487-L489 PolarHBondContact O-N 3.11Å; S487-L489 VanDerWaalsContact O-N 3.12Å; S487-N490 PolarHBondContact O-N 2.87Å; S487-N490 VanDerWaalsContact O-N 3.08Å; S487-V492 WeakPolarHBondContact O-CG2 3.46Å; S487-G509 WeakPolarHBondContact OG-CA 3.42Å; S487-Q510 PolarHBondContact OG-N 3.07Å; S487-E513 VanDerWaalsContact CB-OE2 3.26Å; S487-E513 WeakPolarHBondContact CB-OE2 3.26Å; S487-E513 PolarHBondContact N-OE2 3.31Å; S487-E513 VanDerWaalsContact OG-CD 3.28Å; S487-E513 PolarHBondContact OG-OE2 3.17Å
488	Y	94.9	Very high	95	Very high	54 Å²	54	13.2 Å²	13.2	21%	0.212	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-69.1	-4.2	177.4	76.3	-98.4	0	0	0	114.7	Y486 N504 F593 H595	Y486-Y488 VanDerWaalsContact C-N 3.26Å; Y486-Y488 VanDerWaalsContact CB-CE1 3.4Å; Y486-Y488 HydrophobicContact CD1-CE1 4.15Å; Y486-Y488 AromaticContact CD2-CE1 3.84Å; Y486-Y488 HydrophobicContact CD2-CE1 3.84Å; Y486-Y488 AromaticContact CD2-CZ 3.78Å; Y486-Y488 WeakPolarHBondContact CD2-OH 3.46Å; Y486-Y488 HydrophobicContact CG-CD1 4.29Å; Y486-Y488 AromaticContact CG-CE1 3.57Å; Y486-Y488 HydrophobicContact CG-CE1 3.57Å; Y486-Y488 PolarHBondContact O-N 2.99Å; Y488-N504 WeakPolarHBondContact CE1-OD1 3.48Å; Y488-F593 VanDerWaalsContact CB-CZ 3.42Å; Y488-H595 PolarHBondContact O-NE2 3.13Å; Y488-H595 VanDerWaalsContact O-NE2 3.11Å
489	L	94.4	Very high	95	Very high	4 Å²	4	16.8 Å²	16.8	2%	0.021	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-98.1	3	172.4	-64.4	-178.9	0	0	0	113.2	A480 P484 Y486 S487 A643 T654	A480-L489 WeakPolarHBondContact CB-O 3.25Å; P484-L489 HydrophobicContact CG-CD1 3.95Å; Y486-L489 HydrophobicContact CD2-CD1 3.78Å; Y486-L489 HydrophobicContact CD2-CG 4.41Å; Y486-L489 PolarHBondContact O-N 3.14Å; Y486-L489 VanDerWaalsContact O-N 3.11Å; S487-L489 PolarHBondContact O-N 3.11Å; S487-L489 VanDerWaalsContact O-N 3.12Å; L489-A643 HydrophobicContact CD2-CB 4.26Å; L489-T654 HydrophobicContact CD2-CG2 4.43Å
490	N	96.5	Very high	95.1	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	159.7	176.4	-56.3	-79.6	0	0	0	108.8	H461 P462 D463 Y486 S487 V492	H461-N490 PolarHBondContact CE1-ND2 3.39Å; H461-N490 VanDerWaalsContact CE1-ND2 3.28Å; H461-N490 PolarHBondContact CE1-OD1 2.77Å; H461-N490 PolarHBondContact ND1-OD1 3.4Å; P462-N490 PolarHBondContact O-ND2 3.07Å; D463-N490 HydrophobicContact CB-CB 3.98Å; Y486-N490 PolarHBondContact O-ND2 2.69Å; Y486-N490 VanDerWaalsContact O-ND2 3.1Å; S487-N490 PolarHBondContact O-N 2.87Å; S487-N490 VanDerWaalsContact O-N 3.08Å; N490-V492 HydrophobicContact CB-CG1 4.23Å; N490-V492 HydrophobicContact CB-CG2 4.32Å; N490-V492 PolarHBondContact O-N 2.79Å
491	N	98	Very high	95.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	49.6	-175.3	-62.7	-71.5	0	0	0	113.4	F467 V477 S478 E479 R563 F593 F594 H595	F467-N491 PolarHBondContact O-ND2 3.31Å; V477-N491 WeakPolarHBondContact CG1-OD1 3.44Å; S478-N491 PolarHBondContact O-ND2 2.95Å; E479-N491 PolarHBondContact OE2-ND2 3Å; N491-R563 PolarHBondContact O-NH1 3.28Å; N491-F593 WeakPolarHBondContact CA-O 3.29Å; N491-F594 WeakPolarHBondContact OD1-CA 3.22Å; N491-H595 PolarHBondContact OD1-N 3.07Å
492	V	98.4	Very high	95.5	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	14%	0.141	C	C	.	.	S	Bend	trans	-117.7	-169.5	-169.1	-59.3	0	0	0	0	112.7	Q464 S487 N490 F593	Q464-V492 VanDerWaalsContact O-CG1 3.3Å; Q464-V492 WeakPolarHBondContact O-CG1 3.33Å; S487-V492 WeakPolarHBondContact O-CG2 3.46Å; N490-V492 HydrophobicContact CB-CG1 4.23Å; N490-V492 HydrophobicContact CB-CG2 4.32Å; N490-V492 PolarHBondContact O-N 2.79Å; V492-F593 PolarHBondContact O-N 3.36Å
493	L	98.6	Very high	95.6	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.021	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	148.6	172.4	-62.7	-176	0	0	0	112.1	F495 Y552 V561 D577 V579 L590 S591 A592	L493-F495 HydrophobicContact CB-CE2 4.33Å; L493-F495 HydrophobicContact CB-CZ 4.07Å; L493-F495 HydrophobicContact CD1-CZ 4.17Å; L493-Y552 WeakPolarHBondContact O-CE1 3.5Å; L493-Y552 PolarHBondContact O-OH 2.89Å; L493-V561 HydrophobicContact CD1-CG1 4.09Å; L493-D577 HydrophobicContact CD1-CB 4.21Å; L493-V579 HydrophobicContact CD1-CG2 3.8Å; L493-L590 HydrophobicContact CD2-CD1 4.38Å; L493-S591 WeakPolarHBondContact CA-O 3.28Å; L493-A592 HydrophobicContact CD2-CB 3.58Å
494	V	98.4	Very high	95.6	Very high	7 Å²	7	29.9 Å²	29.9	4%	0.042	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	157.5	166.9	-61	0	0	0	0	110.7	W507 L590 S591 F593	V494-W507 HydrophobicContact CB-CE3 4.34Å; V494-W507 HydrophobicContact CG2-CD2 4.39Å; V494-W507 HydrophobicContact CG2-CE3 3.63Å; V494-W507 HydrophobicContact CG2-CZ3 4.08Å; V494-L590 CarbonylContact O-C 3.58Å; V494-L590 WeakPolarHBondContact O-CA 3.44Å; V494-S591 PolarHBondContact N-O 3.2Å; V494-S591 PolarHBondContact O-N 3.33Å; V494-F593 HydrophobicContact CB-CE2 4.26Å; V494-F593 HydrophobicContact CG1-CE2 3.79Å; V494-F593 HydrophobicContact CG2-CE2 3.48Å; V494-F593 VanDerWaalsContact CG2-CE2 3.48Å; V494-F593 HydrophobicContact CG2-CZ 3.96Å
495	F	98.7	Very high	95.8	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	149.4	-171.2	-63.4	-69.7	0	0	0	112.7	L493 W507 E508 Y552 M556 L558 V561 V579 V587 L590 M663	L493-F495 HydrophobicContact CB-CE2 4.33Å; L493-F495 HydrophobicContact CB-CZ 4.07Å; L493-F495 HydrophobicContact CD1-CZ 4.17Å; F495-W507 VanDerWaalsContact C-CE3 3.47Å; F495-W507 WeakPolarHBondContact O-CA 3.4Å; F495-E508 PolarHBondContact N-O 3.03Å; F495-E508 PolarHBondContact O-N 3.37Å; F495-E508 VanDerWaalsContact O-N 3.07Å; F495-Y552 AromaticContact CD2-CD1 3.68Å; F495-Y552 HydrophobicContact CD2-CD1 3.68Å; F495-Y552 AromaticContact CD2-CE1 3.7Å; F495-Y552 HydrophobicContact CD2-CE1 3.7Å; F495-Y552 HydrophobicContact CD2-CG 4.46Å; F495-Y552 AromaticContact CE2-CD1 3.72Å; F495-Y552 HydrophobicContact CE2-CD1 3.72Å; F495-Y552 AromaticContact CE2-CE1 3.5Å; F495-Y552 HydrophobicContact CE2-CE1 3.5Å; F495-Y552 HydrophobicContact CE2-CE2 4.35Å; F495-Y552 HydrophobicContact CE2-CG 4.24Å; F495-Y552 AromaticContact CE2-CZ 3.85Å; F495-M556 HydrophobicContact CB-SD 3.88Å; F495-M556 HydrophobicContact CD2-SD 3.83Å; F495-M556 HydrophobicContact CG-SD 4.22Å; F495-L558 HydrophobicContact CD2-CD1 3.64Å; F495-L558 HydrophobicContact CE2-CD1 3.52Å; F495-L558 HydrophobicContact CG-CD1 4.25Å; F495-L558 HydrophobicContact CZ-CD1 4.05Å; F495-V561 HydrophobicContact CE2-CG1 4.35Å; F495-V561 HydrophobicContact CE2-CG2 4.07Å; F495-V561 HydrophobicContact CZ-CG1 4.12Å; F495-V561 HydrophobicContact CZ-CG2 4.06Å; F495-V579 HydrophobicContact CE1-CG1 3.85Å; F495-V579 HydrophobicContact CE1-CG2 4.02Å; F495-V579 HydrophobicContact CZ-CG1 4.03Å; F495-V579 HydrophobicContact CZ-CG2 3.98Å; F495-V587 HydrophobicContact CB-CG1 3.84Å; F495-V587 HydrophobicContact CB-CG2 4.12Å; F495-V587 HydrophobicContact CD1-CG1 3.93Å; F495-V587 HydrophobicContact CG-CG1 4.27Å; F495-L590 HydrophobicContact CD1-CB 3.74Å; F495-L590 HydrophobicContact CE1-CB 3.63Å; F495-M663 HydrophobicContact CD1-SD 4.32Å; F495-M663 HydrophobicContact CE1-SD 4.48Å
496	S	98	Very high	95.8	Very high	12 Å²	12	36 Å²	36	8%	0.084	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	147.7	-179.5	169.7	0	0	0	0	112.9	P506 K588 S589	S496-P506 WeakPolarHBondContact OG-CG 3.34Å; S496-K588 PolarHBondContact O-N 2.94Å; S496-S589 PolarHBondContact N-O 3.39Å; S496-S589 PolarHBondContact O-N 3.12Å
497	P	97.9	Very high	96	Very high	47 Å²	47	36.2 Å²	36.2	31%	0.305	21%	0.209	S	C	.	.	S	Bend	cis	-72.6	143.2	-13	31.7	-34.9	0	0	0	110.7	P506 P586	P497-P506 WeakPolarHBondContact CA-O 3.36Å; P497-P506 HydrophobicContact CB-CB 4.2Å; P497-P586 WeakPolarHBondContact CD-O 3.46Å; P497-P586 WeakPolarHBondContact CG-O 3.26Å
498	S	96.6	Very high	96	Very high	13 Å²	13	36.9 Å²	36.9	9%	0.091	21%	0.212	C	C	.	.			trans	-108.7	136	170.2	-170.2	0	0	0	0	112	T500 P506 E508 M556	S498-T500 VanDerWaalsContact C-N 3.26Å; S498-T500 PolarHBondContact O-N 2.73Å; S498-P506 PolarHBondContact N-O 3.5Å; S498-P506 VanDerWaalsContact N-O 3.1Å; S498-E508 WeakPolarHBondContact CB-OE2 3.26Å; S498-E508 PolarHBondContact OG-OE2 3.36Å; S498-M556 WeakPolarHBondContact OG-CG 3.23Å
499	P	94.9	Very high	96.2	Very high	89 Å²	89	34.3 Å²	34.3	58%	0.578	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-24.3	176.1	-20.2	32.9	0	0	0	114.4	A555 P586	P499-A555 HydrophobicContact CB-CB 4.41Å; P499-A555 HydrophobicContact CG-CB 4.35Å; P499-P586 HydrophobicContact CG-CB 4.29Å; P499-P586 HydrophobicContact CG-CG 3.76Å
500	T	95.4	Very high	96.4	Very high	53 Å²	53	34.3 Å²	34.3	33%	0.325	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	8	-174.1	39.4	0	0	0	0	113.8	S498 Q502 E508 S553 A555	S498-T500 VanDerWaalsContact C-N 3.26Å; S498-T500 PolarHBondContact O-N 2.73Å; T500-Q502 WeakPolarHBondContact O-CG 3.34Å; T500-Q502 PolarHBondContact O-N 3.2Å; T500-E508 WeakPolarHBondContact CA-OE2 3.38Å; T500-E508 WeakPolarHBondContact CB-OE2 3.14Å; T500-E508 VanDerWaalsContact OG1-CD 3.25Å; T500-E508 PolarHBondContact OG1-OE1 2.62Å; T500-E508 PolarHBondContact OG1-OE2 2.82Å; T500-S553 VanDerWaalsContact OG1-CB 3.3Å; T500-S553 WeakPolarHBondContact OG1-CB 3.46Å; T500-S553 PolarHBondContact OG1-OG 2.92Å; T500-A555 HydrophobicContact CG2-CB 3.85Å
501	S	95.1	Very high	96.4	Very high	23 Å²	23	36 Å²	36	16%	0.161	21%	0.211	C	C	.	.			trans	-59.6	123.1	-177.8	149.8	0	0	0	0	112.3	S505 W507 E508	S501-S505 WeakPolarHBondContact OG-CA 3.31Å; S501-S505 WeakPolarHBondContact OG-CB 3.47Å; S501-S505 PolarHBondContact OG-N 2.94Å; S501-W507 PolarHBondContact OG-O 2.99Å; S501-E508 PolarHBondContact N-OE2 3.15Å
502	Q	91.3	Very high	96.3	Very high	127 Å²	127	36.3 Å²	36.3	59%	0.593	21%	0.214	S	C	*	.			trans	-103.3	-57.3	-174.6	-49.4	-171.5	15.6	0	0	113.2	T500 R519	T500-Q502 WeakPolarHBondContact O-CG 3.34Å; T500-Q502 PolarHBondContact O-N 3.2Å; Q502-R519 VanDerWaalsContact OE1-CZ 3.32Å
503	C	91.8	Very high	96.2	Very high	56 Å²	56	36.6 Å²	36.6	38%	0.378	22%	0.215	S	C	.	.	S	Bend	trans	-106.5	-20.9	-173.5	60.2	0	0	0	0	116	Y486 C514	Y486-C503 HydrophobicContact CE1-CB 4.43Å; Y486-C503 VanDerWaalsContact CE1-SG 3.59Å; C503-C514 HydrophobicContact CB-CB 3.66Å; C503-C514 WeakPolarHBondContact CB-SG 3.49Å; C503-C514 PolarHBondContact N-SG 3.14Å; C503-C514 VanDerWaalsContact SG-CA 3.57Å; C503-C514 WeakPolarHBondContact SG-CB 3.3Å; C503-C514 CovalentContact SG-SG 2.03Å; C503-C514 PolarHBondContact SG-SG 2.85Å
504	N	91	Very high	96	Very high	44 Å²	44	37.8 Å²	37.8	24%	0.235	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-114.5	24.7	-170.7	-62.2	-48.1	0	0	0	113.5	Y488 W507	Y488-N504 WeakPolarHBondContact CE1-OD1 3.48Å; N504-W507 CarbonylContact C-O 3.53Å; N504-W507 HydrophobicContact CB-CB 4.24Å; N504-W507 WeakPolarHBondContact CB-O 3.46Å; N504-W507 WeakPolarHBondContact O-CA 3.33Å; N504-W507 WeakPolarHBondContact O-CB 3.27Å; N504-W507 PolarHBondContact O-N 3.07Å
505	S	93.9	Very high	95.8	Very high	96 Å²	96	38.9 Å²	38.9	67%	0.671	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.5	130.7	-167.8	-170	0	0	0	0	114.4	S501	S501-S505 WeakPolarHBondContact OG-CA 3.31Å; S501-S505 WeakPolarHBondContact OG-CB 3.47Å; S501-S505 PolarHBondContact OG-N 2.94Å
506	P	96.4	Very high	95.4	Very high	63 Å²	63	44.8 Å²	44.8	41%	0.409	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	cis	-86.8	10.6	9.5	35.3	-37.8	0	0	0	115.9	S496 P497 S498	S496-P506 WeakPolarHBondContact OG-CG 3.34Å; P497-P506 WeakPolarHBondContact CA-O 3.36Å; P497-P506 HydrophobicContact CB-CB 4.2Å; S498-P506 PolarHBondContact N-O 3.5Å; S498-P506 VanDerWaalsContact N-O 3.1Å
507	W	98.1	Very high	95.2	Very high	66 Å²	66	48.9 Å²	48.9	25%	0.25	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-90.1	145.5	-176.9	-61.4	90.6	0	0	0	113.4	V494 F495 S501 N504 T660	V494-W507 HydrophobicContact CB-CE3 4.34Å; V494-W507 HydrophobicContact CG2-CD2 4.39Å; V494-W507 HydrophobicContact CG2-CE3 3.63Å; V494-W507 HydrophobicContact CG2-CZ3 4.08Å; F495-W507 VanDerWaalsContact C-CE3 3.47Å; F495-W507 WeakPolarHBondContact O-CA 3.4Å; S501-W507 PolarHBondContact OG-O 2.99Å; N504-W507 CarbonylContact C-O 3.53Å; N504-W507 HydrophobicContact CB-CB 4.24Å; N504-W507 WeakPolarHBondContact CB-O 3.46Å; N504-W507 WeakPolarHBondContact O-CA 3.33Å; N504-W507 WeakPolarHBondContact O-CB 3.27Å; N504-W507 PolarHBondContact O-N 3.07Å; W507-T660 HydrophobicContact CH2-CG2 3.77Å; W507-T660 HydrophobicContact CZ2-CG2 4.05Å
508	E	98.1	Very high	95.1	Very high	14 Å²	14	47.1 Å²	47.1	7%	0.065	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-142.1	144.7	170.5	-175.3	-173.3	157.6	0	0	109	F495 S498 T500 S501 S553 M556	F495-E508 PolarHBondContact N-O 3.03Å; F495-E508 PolarHBondContact O-N 3.37Å; F495-E508 VanDerWaalsContact O-N 3.07Å; S498-E508 WeakPolarHBondContact CB-OE2 3.26Å; S498-E508 PolarHBondContact OG-OE2 3.36Å; T500-E508 WeakPolarHBondContact CA-OE2 3.38Å; T500-E508 WeakPolarHBondContact CB-OE2 3.14Å; T500-E508 VanDerWaalsContact OG1-CD 3.25Å; T500-E508 PolarHBondContact OG1-OE1 2.62Å; T500-E508 PolarHBondContact OG1-OE2 2.82Å; S501-E508 PolarHBondContact N-OE2 3.15Å; E508-S553 WeakPolarHBondContact OE1-CB 3.38Å; E508-M556 HydrophobicContact CB-CE 3.63Å; E508-M556 VanDerWaalsContact CD-CE 3.43Å; E508-M556 HydrophobicContact CG-CE 3.52Å
509	G	97.9	Very high	95.1	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.266	C	S	.	.			trans	-107.8	-123.8	171.4	0	0	0	0	0	112	S487 E513 Y552 M556	S487-G509 WeakPolarHBondContact OG-CA 3.42Å; G509-E513 PolarHBondContact N-OE1 2.96Å; G509-Y552 WeakPolarHBondContact O-CD1 3.14Å; G509-M556 WeakPolarHBondContact O-CE 3.24Å
510	Q	98.3	Very high	95.1	Very high	5 Å²	5	46.3 Å²	46.3	2%	0.023	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-90.3	155.2	-174	-62.6	176.1	13.8	0	0	112.2	P462 Q464 S487 E513 A551 Y552	P462-Q510 VanDerWaalsContact C-OE1 3.26Å; P462-Q510 HydrophobicContact CB-CB 3.85Å; Q464-Q510 PolarHBondContact O-NE2 2.94Å; S487-Q510 PolarHBondContact OG-N 3.07Å; Q510-E513 WeakPolarHBondContact O-CB 3.48Å; Q510-E513 VanDerWaalsContact O-CG 3.32Å; Q510-E513 WeakPolarHBondContact O-CG 3.39Å; Q510-A551 CarbonylContact C-O 3.59Å; Q510-A551 WeakPolarHBondContact CA-O 3.26Å; Q510-A551 HydrophobicContact CB-CB 4.33Å; Q510-A551 VanDerWaalsContact CB-O 3.28Å; Q510-A551 WeakPolarHBondContact CB-O 3.49Å; Q510-A551 HydrophobicContact CG-CB 4.01Å; Q510-Y552 HydrophobicContact CG-CD1 4.1Å; Q510-Y552 HydrophobicContact CG-CD2 4.3Å; Q510-Y552 HydrophobicContact CG-CE1 3.62Å; Q510-Y552 HydrophobicContact CG-CE2 3.83Å; Q510-Y552 HydrophobicContact CG-CG 4.41Å; Q510-Y552 VanDerWaalsContact CG-CZ 3.46Å; Q510-Y552 PolarHBondContact NE2-OH 2.79Å
511	L	98.1	Very high	95.1	Very high	37 Å²	37	48.5 Å²	48.5	19%	0.194	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	145.4	179.9	-70.5	170.1	0	0	0	111.7	E513 V525 A528 A551	L511-E513 VanDerWaalsContact C-N 3.33Å; L511-E513 PolarHBondContact O-N 2.79Å; L511-V525 HydrophobicContact CB-CG1 4.15Å; L511-V525 HydrophobicContact CB-CG2 4.17Å; L511-A528 HydrophobicContact CB-CB 4.25Å; L511-A528 HydrophobicContact CD1-CB 4.13Å; L511-A551 PolarHBondContact N-O 3.06Å
512	G	96.1	Very high	95.1	Very high	6 Å²	6	50.2 Å²	50.2	6%	0.062	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-2.9	-179.5	0	0	0	0	0	115.9	R519	G512-R519 PolarHBondContact O-N 2.81Å
513	E	96.3	Very high	95.1	Very high	7 Å²	7	53.7 Å²	53.7	3%	0.033	28%	0.281	C	S	.	.			trans	-69	-174.1	178.4	77.2	168	171.7	0	0	114	P462 K485 S487 G509 Q510 L511 R519	P462-E513 HydrophobicContact CB-CB 4.28Å; P462-E513 HydrophobicContact CG-CB 4.12Å; K485-E513 CarbonylContact O-C 3.6Å; K485-E513 VanDerWaalsContact O-CA 3.23Å; K485-E513 WeakPolarHBondContact O-CA 3.38Å; K485-E513 WeakPolarHBondContact O-CB 3.23Å; S487-E513 VanDerWaalsContact CB-OE2 3.26Å; S487-E513 WeakPolarHBondContact CB-OE2 3.26Å; S487-E513 PolarHBondContact N-OE2 3.31Å; S487-E513 VanDerWaalsContact OG-CD 3.28Å; S487-E513 PolarHBondContact OG-OE2 3.17Å; G509-E513 PolarHBondContact N-OE1 2.96Å; Q510-E513 WeakPolarHBondContact O-CB 3.48Å; Q510-E513 VanDerWaalsContact O-CG 3.32Å; Q510-E513 WeakPolarHBondContact O-CG 3.39Å; L511-E513 VanDerWaalsContact C-N 3.33Å; L511-E513 PolarHBondContact O-N 2.79Å; E513-R519 VanDerWaalsContact O-CZ 3.26Å; E513-R519 PolarHBondContact O-NE 3.18Å; E513-R519 PolarHBondContact O-NH2 2.87Å
514	C	94.4	Very high	95.1	Very high	28 Å²	28	52.7 Å²	52.7	19%	0.189	28%	0.28	C	S	.	.	S	Bend	trans	73	21.4	177.5	-58.8	0	0	0	0	117.4	K485 C503	K485-C514 PolarHBondContact O-N 2.97Å; C503-C514 HydrophobicContact CB-CB 3.66Å; C503-C514 WeakPolarHBondContact CB-SG 3.49Å; C503-C514 PolarHBondContact N-SG 3.14Å; C503-C514 VanDerWaalsContact SG-CA 3.57Å; C503-C514 WeakPolarHBondContact SG-CB 3.3Å; C503-C514 CovalentContact SG-SG 2.03Å; C503-C514 PolarHBondContact SG-SG 2.85Å
515	A	92.9	Very high	95.4	Very high	30 Å²	30	50.9 Å²	50.9	25%	0.248	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-143.8	174.1	178.2	0	0	0	0	0	113.4	K485 W517 R519	K485-A515 PolarHBondContact N-O 3.37Å; A515-W517 VanDerWaalsContact CB-O 3.32Å; A515-W517 WeakPolarHBondContact CB-O 3.26Å; A515-R519 HydrophobicContact CB-CG 3.89Å
516	K	90.4	Very high	95.5	Very high	124 Å²	124	46.6 Å²	46.6	54%	0.539	24%	0.242	S	C	.	.	S	Bend	trans	-63.7	-45.5	174.9	-178.7	-167.4	172.2	-168.4	0	111.5	K485	K485-K516 PolarHBondContact NZ-O 2.96Å
517	W	93.4	Very high	95.5	Very high	98 Å²	98	48.1 Å²	48.1	37%	0.371	25%	0.246	S	C	.	.	S	Bend	trans	-104.9	159.3	175	-53.3	136.7	0	0	0	109.2	G458 H459 Y482 A515	G458-W517 WeakPolarHBondContact O-CA 3.31Å; H459-W517 AromaticContact CE1-CH2 3.52Å; H459-W517 AromaticContact CE1-CZ3 3.28Å; H459-W517 WeakPolarHBondContact CE1-CZ3 3.37Å; H459-W517 AromaticContact ND1-CZ3 3.47Å; H459-W517 WeakPolarHBondContact ND1-CZ3 3.48Å; Y482-W517 WeakPolarHBondContact OH-CH2 3.29Å; Y482-W517 WeakPolarHBondContact OH-CZ3 3.08Å; A515-W517 VanDerWaalsContact CB-O 3.32Å; A515-W517 WeakPolarHBondContact CB-O 3.26Å
518	L	96.5	Very high	95.4	Very high	10 Å²	10	45.5 Å²	45.5	5%	0.052	24%	0.239	C	C	.	.			trans	-64.5	142.2	172.4	-166.3	73	0	0	0	109	L432 G458 E460 K485 W520	L432-L518 HydrophobicContact CD1-CD2 3.49Å; L432-L518 VanDerWaalsContact CD1-CD2 3.49Å; G458-L518 PolarHBondContact O-N 2.99Å; E460-L518 HydrophobicContact CB-CD2 4.19Å; K485-L518 HydrophobicContact CG-CB 4.44Å; L518-W520 VanDerWaalsContact C-N 3.34Å; L518-W520 WeakPolarHBondContact O-CZ3 3.36Å; L518-W520 PolarHBondContact O-N 2.91Å
519	R	96.3	Very high	95.3	Very high	54 Å²	54	49.4 Å²	49.4	20%	0.204	25%	0.253	C	S	.	.			trans	-93.4	59.5	178.5	-63.7	-174.9	-71.1	153.3	-11.6	112.2	Q502 G512 E513 A515 T521 D522 V525	Q502-R519 VanDerWaalsContact OE1-CZ 3.32Å; G512-R519 PolarHBondContact O-N 2.81Å; E513-R519 VanDerWaalsContact O-CZ 3.26Å; E513-R519 PolarHBondContact O-NE 3.18Å; E513-R519 PolarHBondContact O-NH2 2.87Å; A515-R519 HydrophobicContact CB-CG 3.89Å; R519-T521 PolarHBondContact O-N 2.97Å; R519-T521 VanDerWaalsContact O-N 3.15Å; R519-D522 HydrophobicContact CB-CB 4.3Å; R519-D522 WeakPolarHBondContact CD-OD2 3.48Å; R519-D522 IonicContact CZ-OD2 3.67Å; R519-D522 IonicContact NE-OD2 2.74Å; R519-D522 IonicContact NH1-OD2 3.84Å; R519-D522 PolarHBondContact NH1-OD2 3.04Å; R519-D522 WeakPolarHBondContact O-CB 3.24Å; R519-D522 PolarHBondContact O-N 3.19Å; R519-D522 VanDerWaalsContact O-N 3.1Å; R519-V525 WeakPolarHBondContact O-CB 3.09Å; R519-V525 WeakPolarHBondContact O-CG1 3.36Å
520	W	95.4	Very high	95.3	Very high	32 Å²	32	49.4 Å²	49.4	12%	0.121	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.5	-177.8	75.6	94.7	0	0	0	114.1	L432 N456 P457 G458 L518 G526	L432-W520 HydrophobicContact CD2-CB 4.02Å; N456-W520 HydrophobicContact CB-CH2 4.46Å; N456-W520 HydrophobicContact CB-CZ2 4.23Å; N456-W520 WeakPolarHBondContact OD1-CH2 3.26Å; N456-W520 WeakPolarHBondContact OD1-CZ3 3.47Å; P457-W520 HydrophobicContact CG-CB 3.76Å; P457-W520 HydrophobicContact CG-CD2 4.03Å; P457-W520 HydrophobicContact CG-CE3 4.47Å; P457-W520 HydrophobicContact CG-CG 3.67Å; G458-W520 VanDerWaalsContact CA-CZ3 3.4Å; L518-W520 VanDerWaalsContact C-N 3.34Å; L518-W520 WeakPolarHBondContact O-CZ3 3.36Å; L518-W520 PolarHBondContact O-N 2.91Å; W520-G526 PolarHBondContact O-N 3.12Å
521	T	94.4	Very high	95.2	Very high	99 Å²	99	50.8 Å²	50.8	61%	0.607	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-11.2	176.5	53	0	0	0	0	114.3	R519	R519-T521 PolarHBondContact O-N 2.97Å; R519-T521 VanDerWaalsContact O-N 3.15Å
522	D	95.7	Very high	95.2	Very high	59 Å²	59	49.3 Å²	49.3	32%	0.316	25%	0.252	S	S	.	.	S	Bend	trans	-73.6	151	177.5	-71.2	14.6	0	0	0	110.1	R519 G524 V525	R519-D522 HydrophobicContact CB-CB 4.3Å; R519-D522 WeakPolarHBondContact CD-OD2 3.48Å; R519-D522 IonicContact CZ-OD2 3.67Å; R519-D522 IonicContact NE-OD2 2.74Å; R519-D522 IonicContact NH1-OD2 3.84Å; R519-D522 PolarHBondContact NH1-OD2 3.04Å; R519-D522 WeakPolarHBondContact O-CB 3.24Å; R519-D522 PolarHBondContact O-N 3.19Å; R519-D522 VanDerWaalsContact O-N 3.1Å; D522-G524 PolarHBondContact O-N 3.41Å; D522-V525 HydrophobicContact CB-CG2 3.74Å; D522-V525 WeakPolarHBondContact O-CB 3.33Å; D522-V525 PolarHBondContact O-N 2.8Å
523	E	92.6	Very high	95.3	Very high	200 Å²	200	50.5 Å²	50.5	94%	0.935	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	126.7	-172	-169.4	177.6	173	0	0	112.4	V525	E523-V525 PolarHBondContact O-N 2.96Å
524	G	91.8	Very high	95.2	Very high	34 Å²	34	50.4 Å²	50.4	35%	0.351	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	-6.6	-178.2	0	0	0	0	0	115.9	D522	D522-G524 PolarHBondContact O-N 3.41Å
525	V	96	Very high	95.3	Very high	6 Å²	6	49.7 Å²	49.7	4%	0.036	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-34.2	175.3	-173	0	0	0	0	111	L511 R519 D522 E523 D527 A528	L511-V525 HydrophobicContact CB-CG1 4.15Å; L511-V525 HydrophobicContact CB-CG2 4.17Å; R519-V525 WeakPolarHBondContact O-CB 3.09Å; R519-V525 WeakPolarHBondContact O-CG1 3.36Å; D522-V525 HydrophobicContact CB-CG2 3.74Å; D522-V525 WeakPolarHBondContact O-CB 3.33Å; D522-V525 PolarHBondContact O-N 2.8Å; E523-V525 PolarHBondContact O-N 2.96Å; V525-D527 PolarHBondContact O-N 2.76Å; V525-A528 WeakPolarHBondContact O-CB 3.45Å; V525-A528 PolarHBondContact O-N 2.65Å
526	G	95.7	Very high	95.4	Very high	7 Å²	7	49.1 Å²	49.1	7%	0.072	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-20	176	0	0	0	0	0	115	H442 W452 W520	H442-G526 PolarHBondContact CE1-O 3.33Å; W452-G526 WeakPolarHBondContact CZ2-O 3.38Å; W452-G526 VanDerWaalsContact NE1-CA 3.28Å; W452-G526 PolarHBondContact NE1-O 3.08Å; W520-G526 PolarHBondContact O-N 3.12Å
527	D	96.3	Very high	95.6	Very high	94 Å²	94	45.9 Å²	45.9	50%	0.503	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-8.6	174.3	-61.1	-91.3	0	0	0	112.7	Y438 H442 V525	Y438-D527 PolarHBondContact OH-O 3.31Å; H442-D527 IonicContact CD2-OD1 3.18Å; H442-D527 IonicContact NE2-OD1 3.26Å; V525-D527 PolarHBondContact O-N 2.76Å
528	A	96.1	Very high	95.5	Very high	12 Å²	12	43.3 Å²	43.3	10%	0.099	23%	0.226	C	C	.	.			trans	-66.7	139.7	-168.6	0	0	0	0	0	113.5	L511 V525 S550	L511-A528 HydrophobicContact CB-CB 4.25Å; L511-A528 HydrophobicContact CD1-CB 4.13Å; V525-A528 WeakPolarHBondContact O-CB 3.45Å; V525-A528 PolarHBondContact O-N 2.65Å; A528-S550 WeakPolarHBondContact CA-O 3.26Å
529	R	96.2	Very high	95.1	Very high	95 Å²	95	49.8 Å²	49.8	36%	0.358	25%	0.25	S	C	.	.	B	Isolated β-bridge	trans	-160.1	145	-179.6	58.8	-179.8	-177.6	-126.3	2.4	114.1	R431 Y438 S550 A551	R431-R529 HydrophobicContact CB-CB 4.37Å; R431-R529 HydrophobicContact CG-CB 3.85Å; Y438-R529 HydrophobicContact CE2-CB 4.34Å; Y438-R529 WeakPolarHBondContact OH-CD 3.23Å; Y438-R529 PolarHBondContact OH-NH1 3.08Å; R529-S550 PolarHBondContact N-O 2.97Å; R529-S550 CarbonylContact O-C 3.6Å; R529-S550 WeakPolarHBondContact O-CB 3.49Å; R529-A551 PolarHBondContact O-N 2.87Å
530	G	97.8	Very high	94.6	Very high	1 Å²	1	51 Å²	51	1%	0.01	26%	0.26	C	S	.	.			trans	-94.7	174.3	148.3	0	0	0	0	0	111.5	S429 G430 E547	S429-G530 WeakPolarHBondContact OG-CA 3.4Å; G430-G530 CarbonylContact C-O 3.56Å; G430-G530 PolarHBondContact O-N 2.82Å; G530-E547 CarbonylContact C-O 3.6Å; G530-E547 VanDerWaalsContact CA-O 3.27Å; G530-E547 WeakPolarHBondContact CA-O 3.4Å
531	E	97.5	Very high	94.6	Very high	34 Å²	34	50 Å²	50	16%	0.159	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	123.6	174.3	-170.2	78	-112.4	0	0	110	S429 R431 R435 I533 G546 E547	S429-E531 CarbonylContact O-C 3.52Å; S429-E531 VanDerWaalsContact O-CA 3.27Å; S429-E531 WeakPolarHBondContact O-CA 3.37Å; S429-E531 PolarHBondContact O-N 3.02Å; S429-E531 PolarHBondContact OG-N 2.94Å; S429-E531 VanDerWaalsContact OG-N 3.12Å; R431-E531 IonicContact CZ-OE2 2.67Å; R431-E531 IonicContact NE-OE2 3.21Å; R431-E531 PolarHBondContact NE-OE2 2.83Å; R431-E531 IonicContact NH2-OE2 2.66Å; R431-E531 PolarHBondContact NH2-OE2 3Å; R435-E531 IonicContact CZ-OE1 3.78Å; R435-E531 VanDerWaalsContact CZ-OE1 3.23Å; R435-E531 IonicContact NH1-OE1 3.77Å; R435-E531 PolarHBondContact NH1-OE1 2.83Å; R435-E531 IonicContact NH1-OE2 3.57Å; R435-E531 PolarHBondContact NH1-OE2 2.88Å; R435-E531 VanDerWaalsContact NH1-OE2 3.1Å; R435-E531 IonicContact NH2-OE1 2.71Å; R435-E531 PolarHBondContact NH2-OE1 3.27Å; E531-I533 PolarHBondContact O-N 3.26Å; E531-G546 VanDerWaalsContact O-CA 3.32Å; E531-G546 WeakPolarHBondContact O-CA 3.45Å; E531-E547 PolarHBondContact N-O 2.88Å; E531-E547 PolarHBondContact O-N 2.89Å
532	V	98.2	Very high	94.7	Very high	6 Å²	6	45.4 Å²	45.4	4%	0.036	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	109.2	171.8	-174.6	0	0	0	0	109.1	G408 V410 F427 S429 V544 P1143	G408-V532 WeakPolarHBondContact O-CG2 3.43Å; V410-V532 HydrophobicContact CG2-CG1 3.97Å; V410-V532 HydrophobicContact CG2-CG2 4.34Å; F427-V532 HydrophobicContact CD1-CG2 4.29Å; F427-V532 HydrophobicContact CE1-CG2 4.29Å; S429-V532 WeakPolarHBondContact O-CG2 3.42Å; S429-V532 PolarHBondContact O-N 3.05Å; V532-V544 HydrophobicContact CG1-CG2 3.8Å; V532-P1143 HydrophobicContact CB-CG 4.2Å; V532-P1143 HydrophobicContact CG1-CG 3.98Å; V532-P1143 WeakPolarHBondContact O-CD 3.44Å
533	I	96.8	Very high	94.8	Very high	30 Å²	30	42.7 Å²	42.7	15%	0.154	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	-44.3	-177.2	-57.6	-52.8	0	0	0	111.1	E531 S545 E547 Y713	E531-I533 PolarHBondContact O-N 3.26Å; I533-S545 PolarHBondContact N-O 3.49Å; I533-E547 HydrophobicContact CD1-CB 3.91Å; I533-E547 HydrophobicContact CG1-CB 4.19Å; I533-Y713 HydrophobicContact CD1-CD2 4.19Å; I533-Y713 HydrophobicContact CD1-CE2 3.58Å; I533-Y713 HydrophobicContact CG1-CD2 4.16Å; I533-Y713 HydrophobicContact CG1-CE2 3.93Å; I533-Y713 HydrophobicContact CG2-CD2 3.6Å; I533-Y713 HydrophobicContact CG2-CE2 4.16Å; I533-Y713 HydrophobicContact CG2-CG 4.11Å
534	V	95.9	Very high	95.1	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.03	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	149.6	179.1	63.3	0	0	0	0	110.3	F543 V544 S545 H728 P1140	V534-F543 HydrophobicContact CG1-CD1 3.97Å; V534-F543 HydrophobicContact CG1-CE1 3.62Å; V534-V544 WeakPolarHBondContact O-CA 3.49Å; V534-V544 WeakPolarHBondContact O-CG2 3.48Å; V534-S545 WeakPolarHBondContact CG1-OG 3.49Å; V534-S545 PolarHBondContact O-N 3.08Å; V534-S545 VanDerWaalsContact O-N 3.08Å; V534-H728 HydrophobicContact CG1-CB 3.81Å; V534-P1140 HydrophobicContact CG2-CB 4.02Å
535	A	96.6	Very high	95.4	Very high	14 Å²	14	31.5 Å²	31.5	12%	0.116	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	137.4	167.6	0	0	0	0	0	108.9	M401 I403 V410 F543 V544	M401-A535 HydrophobicContact CE-CB 4.37Å; M401-A535 HydrophobicContact SD-CB 3.69Å; I403-A535 HydrophobicContact CD1-CB 3.9Å; I403-A535 HydrophobicContact CG1-CB 4.29Å; V410-A535 HydrophobicContact CG1-CB 4.1Å; V410-A535 HydrophobicContact CG2-CB 3.83Å; A535-F543 CarbonylContact C-O 3.26Å; A535-F543 WeakPolarHBondContact CA-O 3.32Å; A535-V544 HydrophobicContact CB-CB 4.42Å; A535-V544 HydrophobicContact CB-CG2 4Å
536	S	95.1	Very high	95.5	Very high	18 Å²	18	31.2 Å²	31.2	13%	0.126	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	132.2	177	167.9	0	0	0	0	111.1	M542 F543 G741	S536-M542 WeakPolarHBondContact O-CA 3.47Å; S536-F543 PolarHBondContact N-O 2.79Å; S536-F543 PolarHBondContact O-N 2.93Å; S536-G741 PolarHBondContact OG-N 2.89Å
537	E	93.7	Very high	95.6	Very high	56 Å²	56	31.9 Å²	31.9	26%	0.262	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	156.7	166.4	66.3	179.3	-178.5	0	0	112.4	R400 M401 T541 M542	R400-E537 WeakPolarHBondContact CA-OE2 3.37Å; R400-E537 IonicContact NE-OE1 2.7Å; M401-E537 HydrophobicContact CB-CB 4.08Å; M401-E537 HydrophobicContact CB-CG 4.12Å; M401-E537 WeakPolarHBondContact CB-OE2 3.42Å; M401-E537 HydrophobicContact CE-CB 4.37Å; M401-E537 PolarHBondContact N-OE2 2.97Å; E537-T541 CarbonylContact C-O 3.57Å; E537-M542 HydrophobicContact CB-CB 4.49Å
538	H	90.4	Very high	95.7	Very high	44 Å²	44	27.4 Å²	27.4	20%	0.204	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	112.9	161	-170.1	74.4	0	0	0	110.4	D540 T541 T738 T744	H538-D540 PolarHBondContact O-N 3.18Å; H538-T541 CarbonylContact C-O 3.52Å; H538-T541 PolarHBondContact N-O 2.88Å; H538-T541 PolarHBondContact O-N 2.85Å; H538-T541 PolarHBondContact O-OG1 3.17Å; H538-T738 HydrophobicContact CB-CG2 4.15Å; H538-T744 PolarHBondContact CD2-OG1 3.48Å; H538-T744 PolarHBondContact NE2-OG1 3.31Å; H538-T744 VanDerWaalsContact NE2-OG1 3.08Å
539	R	88	Confident	95.8	Very high	145 Å²	145	28.4 Å²	28.4	55%	0.547	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	-121.7	-175.7	-57.5	170.7	-178.3	-174.7	-5.6	110.8	T541 H746	R539-T541 VanDerWaalsContact C-N 3.3Å; R539-H746 VanDerWaalsContact CZ-NE2 3.32Å; R539-H746 PolarHBondContact NH1-CE1 3.35Å; R539-H746 PolarHBondContact NH1-NE2 3.19Å; R539-H746 PolarHBondContact NH2-NE2 3.49Å
540	D	87.6	Confident	95.9	Very high	79 Å²	79	26.7 Å²	26.7	42%	0.422	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	7.8	178.3	67.3	-57.2	0	0	0	113.8	Y412 H538	Y412-D540 WeakPolarHBondContact OH-CA 3.42Å; Y412-D540 PolarHBondContact OH-O 3.09Å; H538-D540 PolarHBondContact O-N 3.18Å
541	T	94.2	Very high	95.9	Very high	13 Å²	13	26.8 Å²	26.8	8%	0.08	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	152.2	-174	66.6	0	0	0	0	111.8	E537 H538 R539 L567 Y740	E537-T541 CarbonylContact C-O 3.57Å; H538-T541 CarbonylContact C-O 3.52Å; H538-T541 PolarHBondContact N-O 2.88Å; H538-T541 PolarHBondContact O-N 2.85Å; H538-T541 PolarHBondContact O-OG1 3.17Å; R539-T541 VanDerWaalsContact C-N 3.3Å; T541-L567 VanDerWaalsContact CA-O 3.26Å; T541-L567 WeakPolarHBondContact CA-O 3.42Å; T541-L567 WeakPolarHBondContact CB-O 3.22Å; T541-Y740 WeakPolarHBondContact CB-OH 3.4Å
542	M	96.3	Very high	96	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	154.9	177.3	61.8	153.2	-73.9	0	0	113	M401 Y412 V425 S536 E537 V544 V566 L567 Y740	M401-M542 HydrophobicContact CE-CB 3.73Å; M401-M542 HydrophobicContact CE-CE 3.78Å; M401-M542 HydrophobicContact CE-CG 4.48Å; M401-M542 HydrophobicContact CE-SD 4.04Å; Y412-M542 WeakPolarHBondContact CB-SD 3.45Å; Y412-M542 HydrophobicContact CD1-SD 4.23Å; Y412-M542 HydrophobicContact CD2-CB 4.47Å; Y412-M542 HydrophobicContact CD2-CG 4.5Å; Y412-M542 HydrophobicContact CD2-SD 4.35Å; Y412-M542 HydrophobicContact CG-CG 4.3Å; Y412-M542 HydrophobicContact CG-SD 3.79Å; V425-M542 HydrophobicContact CB-SD 4.13Å; V425-M542 HydrophobicContact CG1-SD 4.23Å; V425-M542 HydrophobicContact CG2-SD 4.4Å; S536-M542 WeakPolarHBondContact O-CA 3.47Å; E537-M542 HydrophobicContact CB-CB 4.49Å; M542-V544 HydrophobicContact CE-CB 3.82Å; M542-V544 HydrophobicContact CE-CG1 3.44Å; M542-V544 VanDerWaalsContact CE-CG1 3.44Å; M542-V566 WeakPolarHBondContact O-CA 3.27Å; M542-L567 HydrophobicContact CG-CB 3.44Å; M542-L567 VanDerWaalsContact CG-CB 3.44Å; M542-L567 HydrophobicContact CG-CD2 3.97Å; M542-L567 HydrophobicContact CG-CG 4.36Å; M542-L567 PolarHBondContact N-O 2.85Å; M542-L567 PolarHBondContact O-N 2.89Å; M542-Y740 PolarHBondContact O-OH 3.03Å
543	F	98.1	Very high	95.9	Very high	1 Å²	1	25.7 Å²	25.7	0%	0.004	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	136.1	169.5	-177.4	-101.7	0	0	0	110.3	V534 A535 S536 A564 L565 V566 I709 H728 C729 Y740	V534-F543 HydrophobicContact CG1-CD1 3.97Å; V534-F543 HydrophobicContact CG1-CE1 3.62Å; A535-F543 CarbonylContact C-O 3.26Å; A535-F543 WeakPolarHBondContact CA-O 3.32Å; S536-F543 PolarHBondContact N-O 2.79Å; S536-F543 PolarHBondContact O-N 2.93Å; F543-A564 HydrophobicContact CE2-CB 3.9Å; F543-A564 HydrophobicContact CZ-CB 3.97Å; F543-L565 WeakPolarHBondContact CA-O 3.27Å; F543-L565 WeakPolarHBondContact CD2-O 3.35Å; F543-V566 HydrophobicContact CD2-CG1 4.39Å; F543-V566 HydrophobicContact CD2-CG2 3.87Å; F543-V566 HydrophobicContact CE2-CG2 4.08Å; F543-I709 HydrophobicContact CE2-CG1 4.25Å; F543-I709 HydrophobicContact CE2-CG2 4.29Å; F543-I709 HydrophobicContact CZ-CG2 4.25Å; F543-H728 HydrophobicContact CE1-CB 3.73Å; F543-H728 HydrophobicContact CZ-CB 4.38Å; F543-C729 HydrophobicContact CB-CB 4.48Å; F543-C729 HydrophobicContact CD1-CB 3.92Å; F543-C729 HydrophobicContact CD2-CB 3.43Å; F543-C729 VanDerWaalsContact CD2-CB 3.43Å; F543-C729 HydrophobicContact CE1-CB 3.96Å; F543-C729 HydrophobicContact CE2-CB 3.48Å; F543-C729 VanDerWaalsContact CE2-CB 3.48Å; F543-C729 HydrophobicContact CG-CB 3.66Å; F543-C729 HydrophobicContact CZ-CB 3.75Å; F543-Y740 HydrophobicContact CB-CD1 3.69Å; F543-Y740 HydrophobicContact CB-CD2 3.6Å; F543-Y740 HydrophobicContact CB-CE1 3.96Å; F543-Y740 HydrophobicContact CB-CE2 3.83Å; F543-Y740 HydrophobicContact CB-CG 3.49Å; F543-Y740 VanDerWaalsContact CB-CG 3.49Å; F543-Y740 HydrophobicContact CG-CD2 4.22Å; F543-Y740 HydrophobicContact CG-CG 4.36Å
544	V	98.6	Very high	95.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	147.3	168.1	65.3	0	0	0	0	109.5	V410 F427 V532 V534 A535 M542 A564 L565	V410-V544 HydrophobicContact CB-CG2 4.15Å; V410-V544 HydrophobicContact CG1-CG2 4.34Å; V410-V544 HydrophobicContact CG2-CG2 3.9Å; F427-V544 HydrophobicContact CB-CG1 3.85Å; F427-V544 HydrophobicContact CB-CG2 4.38Å; F427-V544 HydrophobicContact CD1-CG1 4.21Å; F427-V544 HydrophobicContact CD1-CG2 3.63Å; F427-V544 HydrophobicContact CE1-CG2 4.25Å; F427-V544 HydrophobicContact CG-CG1 3.96Å; F427-V544 HydrophobicContact CG-CG2 4.21Å; V532-V544 HydrophobicContact CG1-CG2 3.8Å; V534-V544 WeakPolarHBondContact O-CA 3.49Å; V534-V544 WeakPolarHBondContact O-CG2 3.48Å; A535-V544 HydrophobicContact CB-CB 4.42Å; A535-V544 HydrophobicContact CB-CG2 4Å; M542-V544 HydrophobicContact CE-CB 3.82Å; M542-V544 HydrophobicContact CE-CG1 3.44Å; M542-V544 VanDerWaalsContact CE-CG1 3.44Å; V544-A564 CarbonylContact O-C 3.56Å; V544-A564 WeakPolarHBondContact O-CA 3.27Å; V544-L565 HydrophobicContact CG1-CB 3.71Å; V544-L565 HydrophobicContact CG1-CD2 4.37Å; V544-L565 PolarHBondContact N-O 2.89Å; V544-L565 VanDerWaalsContact N-O 3.09Å; V544-L565 PolarHBondContact O-N 3.11Å
545	S	98.4	Very high	96	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	146.9	173.2	59.6	0	0	0	0	112.8	I533 V534 R563	I533-S545 PolarHBondContact N-O 3.49Å; V534-S545 WeakPolarHBondContact CG1-OG 3.49Å; V534-S545 PolarHBondContact O-N 3.08Å; V534-S545 VanDerWaalsContact O-N 3.08Å; S545-R563 CarbonylContact C-O 3.54Å; S545-R563 WeakPolarHBondContact CA-O 3.43Å; S545-R563 VanDerWaalsContact CB-O 3.27Å; S545-R563 WeakPolarHBondContact CB-O 3.49Å
546	G	98.3	Very high	96	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	151.9	-179.6	0	0	0	0	0	113.3	N465 E531 F562 R563	N465-G546 PolarHBondContact ND2-O 3.48Å; N465-G546 VanDerWaalsContact ND2-O 3.1Å; N465-G546 PolarHBondContact OD1-O 3.15Å; E531-G546 VanDerWaalsContact O-CA 3.32Å; E531-G546 WeakPolarHBondContact O-CA 3.45Å; G546-F562 WeakPolarHBondContact O-CA 3.08Å; G546-R563 PolarHBondContact N-O 2.99Å; G546-R563 PolarHBondContact O-N 3.14Å
547	E	98.4	Very high	96.2	Very high	20 Å²	20	34.3 Å²	34.3	9%	0.093	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.4	173.3	174.3	64.8	-100.3	0	0	108.9	S429 G530 E531 I533 V549 S560 V561 Y713	S429-E547 PolarHBondContact OG-O 2.85Å; G530-E547 CarbonylContact C-O 3.6Å; G530-E547 VanDerWaalsContact CA-O 3.27Å; G530-E547 WeakPolarHBondContact CA-O 3.4Å; E531-E547 PolarHBondContact N-O 2.88Å; E531-E547 PolarHBondContact O-N 2.89Å; I533-E547 HydrophobicContact CD1-CB 3.91Å; I533-E547 HydrophobicContact CG1-CB 4.19Å; E547-V549 HydrophobicContact CG-CG1 4.1Å; E547-V549 WeakPolarHBondContact OE1-CB 3.47Å; E547-V549 WeakPolarHBondContact OE1-CG1 3.4Å; E547-V549 PolarHBondContact OE1-N 2.9Å; E547-S560 WeakPolarHBondContact OE1-CA 3.44Å; E547-S560 PolarHBondContact OE1-OG 3.24Å; E547-S560 WeakPolarHBondContact OE2-CB 3.42Å; E547-S560 PolarHBondContact OE2-OG 3.38Å; E547-V561 PolarHBondContact OE1-N 2.99Å; E547-Y713 WeakPolarHBondContact CB-OH 3.25Å; E547-Y713 VanDerWaalsContact CG-OH 3.27Å; E547-Y713 WeakPolarHBondContact CG-OH 3.2Å; E547-Y713 PolarHBondContact OE2-OH 2.99Å
548	A	98.4	Very high	96.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.171	C	C	.	.			trans	-121.6	8.7	-178.2	0	0	0	0	0	114	Q464 N465 S550 A551 Y552 V561	Q464-A548 HydrophobicContact CB-CB 4.05Å; N465-A548 HydrophobicContact CB-CB 4.19Å; N465-A548 WeakPolarHBondContact ND2-CB 3.43Å; A548-S550 PolarHBondContact O-N 2.88Å; A548-S550 VanDerWaalsContact O-N 3.11Å; A548-A551 VanDerWaalsContact O-CB 3.31Å; A548-A551 WeakPolarHBondContact O-CB 3.47Å; A548-A551 PolarHBondContact O-N 3.16Å; A548-Y552 HydrophobicContact CB-CE2 4.19Å; A548-Y552 WeakPolarHBondContact O-CD2 3.16Å; A548-V561 PolarHBondContact N-O 3.16Å
549	V	98.3	Very high	96.7	Very high	34 Å²	34	33.6 Å²	33.6	21%	0.206	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-54.1	-35	-177.5	67.7	0	0	0	0	113.9	E547 A551 Y552 L558 V561	E547-V549 HydrophobicContact CG-CG1 4.1Å; E547-V549 WeakPolarHBondContact OE1-CB 3.47Å; E547-V549 WeakPolarHBondContact OE1-CG1 3.4Å; E547-V549 PolarHBondContact OE1-N 2.9Å; V549-A551 PolarHBondContact O-N 2.86Å; V549-Y552 PolarHBondContact O-N 3.17Å; V549-L558 HydrophobicContact CG2-CB 3.86Å; V549-V561 HydrophobicContact CB-CG2 4.32Å
550	S	97.4	Very high	97.2	Very high	59 Å²	59	27.2 Å²	27.2	41%	0.413	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-75.4	1.7	176.4	-64.6	0	0	0	0	114.6	A528 R529 A548	A528-S550 WeakPolarHBondContact CA-O 3.26Å; R529-S550 PolarHBondContact N-O 2.97Å; R529-S550 CarbonylContact O-C 3.6Å; R529-S550 WeakPolarHBondContact O-CB 3.49Å; A548-S550 PolarHBondContact O-N 2.88Å; A548-S550 VanDerWaalsContact O-N 3.11Å
551	A	98.2	Very high	97.7	Very high	3 Å²	3	23.6 Å²	23.6	3%	0.025	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-93.7	-7.5	168	0	0	0	0	0	112.7	Q464 Q510 L511 R529 A548 V549	Q464-A551 HydrophobicContact CB-CB 3.98Å; Q464-A551 HydrophobicContact CG-CB 3.87Å; Q510-A551 CarbonylContact C-O 3.59Å; Q510-A551 WeakPolarHBondContact CA-O 3.26Å; Q510-A551 HydrophobicContact CB-CB 4.33Å; Q510-A551 VanDerWaalsContact CB-O 3.28Å; Q510-A551 WeakPolarHBondContact CB-O 3.49Å; Q510-A551 HydrophobicContact CG-CB 4.01Å; L511-A551 PolarHBondContact N-O 3.06Å; R529-A551 PolarHBondContact O-N 2.87Å; A548-A551 VanDerWaalsContact O-CB 3.31Å; A548-A551 WeakPolarHBondContact O-CB 3.47Å; A548-A551 PolarHBondContact O-N 3.16Å; V549-A551 PolarHBondContact O-N 2.86Å
552	Y	98.4	Very high	98	Very high	6 Å²	6	23 Å²	23	2%	0.024	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-108.3	153.3	-177.9	-65.6	-92.2	0	0	0	111.9	L493 F495 G509 Q510 A548 V549 P554 M556 L558 V561	L493-Y552 WeakPolarHBondContact O-CE1 3.5Å; L493-Y552 PolarHBondContact O-OH 2.89Å; F495-Y552 AromaticContact CD2-CD1 3.68Å; F495-Y552 HydrophobicContact CD2-CD1 3.68Å; F495-Y552 AromaticContact CD2-CE1 3.7Å; F495-Y552 HydrophobicContact CD2-CE1 3.7Å; F495-Y552 HydrophobicContact CD2-CG 4.46Å; F495-Y552 AromaticContact CE2-CD1 3.72Å; F495-Y552 HydrophobicContact CE2-CD1 3.72Å; F495-Y552 AromaticContact CE2-CE1 3.5Å; F495-Y552 HydrophobicContact CE2-CE1 3.5Å; F495-Y552 HydrophobicContact CE2-CE2 4.35Å; F495-Y552 HydrophobicContact CE2-CG 4.24Å; F495-Y552 AromaticContact CE2-CZ 3.85Å; G509-Y552 WeakPolarHBondContact O-CD1 3.14Å; Q510-Y552 HydrophobicContact CG-CD1 4.1Å; Q510-Y552 HydrophobicContact CG-CD2 4.3Å; Q510-Y552 HydrophobicContact CG-CE1 3.62Å; Q510-Y552 HydrophobicContact CG-CE2 3.83Å; Q510-Y552 HydrophobicContact CG-CG 4.41Å; Q510-Y552 VanDerWaalsContact CG-CZ 3.46Å; Q510-Y552 PolarHBondContact NE2-OH 2.79Å; A548-Y552 HydrophobicContact CB-CE2 4.19Å; A548-Y552 WeakPolarHBondContact O-CD2 3.16Å; V549-Y552 PolarHBondContact O-N 3.17Å; Y552-P554 WeakPolarHBondContact O-CD 3.45Å; Y552-M556 HydrophobicContact CD1-CE 4.23Å; Y552-M556 HydrophobicContact CD1-SD 4.12Å; Y552-L558 HydrophobicContact CG-CD1 4.21Å; Y552-V561 HydrophobicContact CD2-CB 4.37Å; Y552-V561 HydrophobicContact CD2-CG1 4.49Å; Y552-V561 HydrophobicContact CD2-CG2 3.94Å; Y552-V561 HydrophobicContact CE2-CB 4.11Å; Y552-V561 HydrophobicContact CE2-CG1 3.79Å; Y552-V561 HydrophobicContact CE2-CG2 4.08Å
553	S	97.4	Very high	98.1	Very high	11 Å²	11	23 Å²	23	8%	0.077	13%	0.13	C	C	.	.			trans	-57	126.4	177.6	169.5	0	0	0	0	112.3	T500 E508 A555 M556	T500-S553 VanDerWaalsContact OG1-CB 3.3Å; T500-S553 WeakPolarHBondContact OG1-CB 3.46Å; T500-S553 PolarHBondContact OG1-OG 2.92Å; E508-S553 WeakPolarHBondContact OE1-CB 3.38Å; S553-A555 PolarHBondContact O-N 3.03Å; S553-A555 WeakPolarHBondContact OG-CB 3.4Å; S553-A555 PolarHBondContact OG-N 2.85Å; S553-M556 WeakPolarHBondContact O-CB 3.28Å; S553-M556 WeakPolarHBondContact O-CG 3.35Å; S553-M556 PolarHBondContact O-N 2.92Å
554	P	97.1	Very high	98.1	Very high	110 Å²	110	22.9 Å²	22.9	71%	0.714	13%	0.13	S	C	*	.	G	3₁₀ helix	trans	-56.3	-22.5	174.2	-27.8	36.2	0	0	0	114	Y552 M556 R557	Y552-P554 WeakPolarHBondContact O-CD 3.45Å; P554-M556 PolarHBondContact O-N 3.11Å; P554-R557 WeakPolarHBondContact O-CA 3.49Å; P554-R557 WeakPolarHBondContact O-CG 3.38Å; P554-R557 PolarHBondContact O-N 3.29Å
555	A	97.1	Very high	98.1	Very high	38 Å²	38	22.9 Å²	22.9	31%	0.314	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-64.8	-22.3	175.3	0	0	0	0	0	113.4	P499 T500 S553 R557	P499-A555 HydrophobicContact CB-CB 4.41Å; P499-A555 HydrophobicContact CG-CB 4.35Å; T500-A555 HydrophobicContact CG2-CB 3.85Å; S553-A555 PolarHBondContact O-N 3.03Å; S553-A555 WeakPolarHBondContact OG-CB 3.4Å; S553-A555 PolarHBondContact OG-N 2.85Å; A555-R557 PolarHBondContact O-N 2.94Å
556	M	97.7	Very high	98.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-69.1	-21.2	170	-59.7	-173.4	-168.2	0	0	112.7	F495 S498 E508 G509 Y552 S553 P554 L558 S585 V587	F495-M556 HydrophobicContact CB-SD 3.88Å; F495-M556 HydrophobicContact CD2-SD 3.83Å; F495-M556 HydrophobicContact CG-SD 4.22Å; S498-M556 WeakPolarHBondContact OG-CG 3.23Å; E508-M556 HydrophobicContact CB-CE 3.63Å; E508-M556 VanDerWaalsContact CD-CE 3.43Å; E508-M556 HydrophobicContact CG-CE 3.52Å; G509-M556 WeakPolarHBondContact O-CE 3.24Å; Y552-M556 HydrophobicContact CD1-CE 4.23Å; Y552-M556 HydrophobicContact CD1-SD 4.12Å; S553-M556 WeakPolarHBondContact O-CB 3.28Å; S553-M556 WeakPolarHBondContact O-CG 3.35Å; S553-M556 PolarHBondContact O-N 2.92Å; P554-M556 PolarHBondContact O-N 3.11Å; M556-L558 VanDerWaalsContact C-N 3.31Å; M556-L558 HydrophobicContact CB-CD1 4.14Å; M556-L558 HydrophobicContact CB-CG 3.9Å; M556-L558 PolarHBondContact O-N 2.85Å; M556-L558 HydrophobicContact SD-CD1 3.93Å; M556-S585 WeakPolarHBondContact O-CB 3.47Å; M556-S585 PolarHBondContact O-OG 3.03Å; M556-V587 HydrophobicContact CB-CG2 3.94Å; M556-V587 HydrophobicContact CG-CG2 4.4Å
557	R	98	Very high	98.1	Very high	100 Å²	100	22.9 Å²	22.9	38%	0.377	13%	0.13	S	C	.	.			trans	52.1	48.4	-178.2	-53.6	-173.7	68.2	-173.2	-10.2	112.5	P554 A555 W582 D584	P554-R557 WeakPolarHBondContact O-CA 3.49Å; P554-R557 WeakPolarHBondContact O-CG 3.38Å; P554-R557 PolarHBondContact O-N 3.29Å; A555-R557 PolarHBondContact O-N 2.94Å; R557-W582 HydrophobicContact CB-CB 4.25Å; R557-W582 HydrophobicContact CB-CG 4.49Å; R557-W582 VanDerWaalsContact O-CD1 3.24Å; R557-W582 PolarHBondContact O-N 3.45Å; R557-D584 IonicContact CZ-OD1 2.68Å; R557-D584 IonicContact CZ-OD2 2.68Å; R557-D584 IonicContact NE-OD1 3.19Å; R557-D584 IonicContact NH1-OD1 3.17Å; R557-D584 PolarHBondContact NH1-OD1 3.3Å; R557-D584 IonicContact NH1-OD2 3.67Å; R557-D584 PolarHBondContact NH1-OD2 2.84Å; R557-D584 IonicContact NH2-OD1 2.7Å; R557-D584 PolarHBondContact NH2-OD1 3.16Å; R557-D584 IonicContact NH2-OD2 3.62Å; R557-D584 PolarHBondContact NH2-OD2 3.32Å
558	L	98.3	Very high	98	Very high	17 Å²	17	22 Å²	22	9%	0.089	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	160	166.5	-58.4	173.3	0	0	0	109.8	F495 V549 Y552 M556 V561 V579 K581	F495-L558 HydrophobicContact CD2-CD1 3.64Å; F495-L558 HydrophobicContact CE2-CD1 3.52Å; F495-L558 HydrophobicContact CG-CD1 4.25Å; F495-L558 HydrophobicContact CZ-CD1 4.05Å; V549-L558 HydrophobicContact CG2-CB 3.86Å; Y552-L558 HydrophobicContact CG-CD1 4.21Å; M556-L558 VanDerWaalsContact C-N 3.31Å; M556-L558 HydrophobicContact CB-CD1 4.14Å; M556-L558 HydrophobicContact CB-CG 3.9Å; M556-L558 PolarHBondContact O-N 2.85Å; M556-L558 HydrophobicContact SD-CD1 3.93Å; L558-V561 HydrophobicContact CB-CG2 4.4Å; L558-V561 HydrophobicContact CD1-CG2 3.73Å; L558-V579 HydrophobicContact CD2-CG1 3.95Å; L558-K581 HydrophobicContact CD2-CB 4.1Å
559	K	97.4	Very high	97.9	Very high	67 Å²	67	23 Å²	23	29%	0.291	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	-37	175.9	-73.3	168.6	171.7	167	0	112.3	E580 K581 W582	K559-E580 HydrophobicContact CB-CB 4.19Å; K559-E580 HydrophobicContact CB-CG 4.45Å; K559-E580 HydrophobicContact CD-CB 4.37Å; K559-E580 VanDerWaalsContact CD-CD 3.46Å; K559-E580 HydrophobicContact CD-CG 3.75Å; K559-E580 WeakPolarHBondContact CD-OE1 3.29Å; K559-E580 WeakPolarHBondContact CE-OE1 3.23Å; K559-E580 PolarHBondContact N-O 2.84Å; K559-E580 IonicContact NZ-OE1 2.71Å; K559-E580 PolarHBondContact NZ-OE1 3.04Å; K559-K581 PolarHBondContact NZ-O 3.06Å; K559-W582 HydrophobicContact CD-CD2 4.19Å; K559-W582 HydrophobicContact CD-CZ2 4.36Å; K559-W582 VanDerWaalsContact CE-CZ3 3.5Å; K559-W582 HydrophobicContact CG-CD2 3.91Å; K559-W582 VanDerWaalsContact CG-CE2 3.46Å; K559-W582 HydrophobicContact CG-CG 4.11Å; K559-W582 HydrophobicContact CG-CZ2 3.84Å
560	S	98.1	Very high	97.7	Very high	12 Å²	12	22.5 Å²	22.5	8%	0.084	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	138.2	176.9	-178.9	0	0	0	0	108.4	E547 F562 V579 E580	E547-S560 WeakPolarHBondContact OE1-CA 3.44Å; E547-S560 PolarHBondContact OE1-OG 3.24Å; E547-S560 WeakPolarHBondContact OE2-CB 3.42Å; E547-S560 PolarHBondContact OE2-OG 3.38Å; S560-F562 WeakPolarHBondContact OG-CB 3.42Å; S560-V579 WeakPolarHBondContact O-CA 3.38Å; S560-E580 PolarHBondContact N-O 3.06Å; S560-E580 PolarHBondContact O-N 2.9Å; S560-E580 VanDerWaalsContact O-N 3.08Å
561	V	98.6	Very high	97.6	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.012	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	75.1	167.1	-174.4	0	0	0	0	105.1	N465 L493 F495 E547 A548 V549 Y552 L558	N465-V561 PolarHBondContact ND2-O 3.31Å; L493-V561 HydrophobicContact CD1-CG1 4.09Å; F495-V561 HydrophobicContact CE2-CG1 4.35Å; F495-V561 HydrophobicContact CE2-CG2 4.07Å; F495-V561 HydrophobicContact CZ-CG1 4.12Å; F495-V561 HydrophobicContact CZ-CG2 4.06Å; E547-V561 PolarHBondContact OE1-N 2.99Å; A548-V561 PolarHBondContact N-O 3.16Å; V549-V561 HydrophobicContact CB-CG2 4.32Å; Y552-V561 HydrophobicContact CD2-CB 4.37Å; Y552-V561 HydrophobicContact CD2-CG1 4.49Å; Y552-V561 HydrophobicContact CD2-CG2 3.94Å; Y552-V561 HydrophobicContact CE2-CB 4.11Å; Y552-V561 HydrophobicContact CE2-CG1 3.79Å; Y552-V561 HydrophobicContact CE2-CG2 4.08Å; L558-V561 HydrophobicContact CB-CG2 4.4Å; L558-V561 HydrophobicContact CD1-CG2 3.73Å
562	F	98.8	Very high	97.5	Very high	1 Å²	1	20 Å²	20	0%	0.004	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	127.8	-173.7	174.3	-89.6	0	0	0	110.5	G546 S560 A564 H578 I709 T711 Y713	G546-F562 WeakPolarHBondContact O-CA 3.08Å; S560-F562 WeakPolarHBondContact OG-CB 3.42Å; F562-A564 HydrophobicContact CE1-CB 3.79Å; F562-A564 HydrophobicContact CZ-CB 4.18Å; F562-H578 HydrophobicContact CB-CB 4.39Å; F562-H578 HydrophobicContact CD1-CB 4.15Å; F562-H578 PolarHBondContact N-O 3.17Å; F562-H578 PolarHBondContact O-N 3.08Å; F562-I709 HydrophobicContact CE1-CG2 4.3Å; F562-T711 HydrophobicContact CD1-CG2 4.48Å; F562-T711 HydrophobicContact CE1-CG2 4.41Å; F562-Y713 AromaticContact CD2-CD1 3.58Å; F562-Y713 HydrophobicContact CD2-CD1 3.58Å; F562-Y713 AromaticContact CD2-CE1 3.64Å; F562-Y713 HydrophobicContact CD2-CE1 3.64Å; F562-Y713 AromaticContact CE2-CD1 3.62Å; F562-Y713 HydrophobicContact CE2-CD1 3.62Å; F562-Y713 HydrophobicContact CE2-CE1 4.12Å; F562-Y713 HydrophobicContact CE2-CG 4.24Å; F562-Y713 HydrophobicContact CG-CE1 4.49Å
563	R	98.8	Very high	97.6	Very high	1 Å²	1	19.8 Å²	19.8	0%	0.004	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	138.9	172.1	-179.1	169.3	-76.4	179.2	-12.9	110.4	F427 N465 N491 S545 G546 L565 V575 L576 D577	F427-R563 HydrophobicContact CE2-CB 4.28Å; F427-R563 HydrophobicContact CE2-CG 4.13Å; N465-R563 HydrophobicContact CB-CB 4.04Å; N465-R563 PolarHBondContact ND2-N 3.45Å; N465-R563 WeakPolarHBondContact O-CD 3.41Å; N465-R563 PolarHBondContact O-NH1 3.46Å; N491-R563 PolarHBondContact O-NH1 3.28Å; S545-R563 CarbonylContact C-O 3.54Å; S545-R563 WeakPolarHBondContact CA-O 3.43Å; S545-R563 VanDerWaalsContact CB-O 3.27Å; S545-R563 WeakPolarHBondContact CB-O 3.49Å; G546-R563 PolarHBondContact N-O 2.99Å; G546-R563 PolarHBondContact O-N 3.14Å; R563-L565 HydrophobicContact CG-CD1 3.86Å; R563-V575 HydrophobicContact CG-CG1 4Å; R563-L576 WeakPolarHBondContact CA-O 3.32Å; R563-D577 WeakPolarHBondContact CB-OD1 3.23Å; R563-D577 IonicContact CZ-OD1 3.22Å; R563-D577 IonicContact CZ-OD2 3.98Å; R563-D577 IonicContact NE-OD1 3.37Å; R563-D577 PolarHBondContact NE-OD1 3.44Å; R563-D577 IonicContact NE-OD2 3.67Å; R563-D577 PolarHBondContact NE-OD2 2.99Å; R563-D577 IonicContact NH2-OD1 3.77Å; R563-D577 PolarHBondContact NH2-OD1 2.79Å; R563-D577 IonicContact NH2-OD2 2.88Å; R563-D577 PolarHBondContact NH2-OD2 3.43Å
564	A	98.7	Very high	97.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	137.4	172	0	0	0	0	0	111.7	F543 V544 F562 V575 L576 I709	F543-A564 HydrophobicContact CE2-CB 3.9Å; F543-A564 HydrophobicContact CZ-CB 3.97Å; V544-A564 CarbonylContact O-C 3.56Å; V544-A564 WeakPolarHBondContact O-CA 3.27Å; F562-A564 HydrophobicContact CE1-CB 3.79Å; F562-A564 HydrophobicContact CZ-CB 4.18Å; A564-V575 WeakPolarHBondContact O-CA 3.39Å; A564-L576 PolarHBondContact N-O 3.19Å; A564-L576 PolarHBondContact O-N 2.95Å; A564-I709 HydrophobicContact CB-CD1 4.46Å; A564-I709 HydrophobicContact CB-CG2 4Å
565	L	98.8	Very high	97.7	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	133.4	175.9	-92	67.1	0	0	0	109.3	V425 F427 F467 F543 V544 R563 L573 L574 V575	V425-L565 HydrophobicContact CG1-CD2 3.96Å; F427-L565 HydrophobicContact CB-CD2 4.47Å; F427-L565 HydrophobicContact CD2-CD1 3.91Å; F427-L565 HydrophobicContact CD2-CD2 4.32Å; F427-L565 HydrophobicContact CE2-CD1 4.15Å; F467-L565 HydrophobicContact CB-CD1 4.5Å; F467-L565 HydrophobicContact CB-CD2 3.71Å; F467-L565 HydrophobicContact CD1-CD1 4.43Å; F467-L565 HydrophobicContact CD2-CD2 4.17Å; F467-L565 HydrophobicContact CG-CD1 4.45Å; F467-L565 HydrophobicContact CG-CD2 3.99Å; F543-L565 WeakPolarHBondContact CA-O 3.27Å; F543-L565 WeakPolarHBondContact CD2-O 3.35Å; V544-L565 HydrophobicContact CG1-CB 3.71Å; V544-L565 HydrophobicContact CG1-CD2 4.37Å; V544-L565 PolarHBondContact N-O 2.89Å; V544-L565 VanDerWaalsContact N-O 3.09Å; V544-L565 PolarHBondContact O-N 3.11Å; R563-L565 HydrophobicContact CG-CD1 3.86Å; L565-L573 HydrophobicContact CB-CD1 4.09Å; L565-L573 HydrophobicContact CD2-CD1 4.24Å; L565-L573 HydrophobicContact CD2-CD2 4.29Å; L565-L573 HydrophobicContact CG-CD1 4.06Å; L565-L574 CarbonylContact C-O 3.59Å; L565-L574 WeakPolarHBondContact CA-O 3.41Å; L565-V575 HydrophobicContact CD1-CG1 4.03Å; L565-V575 HydrophobicContact CD1-CG2 4.19Å; L565-V575 HydrophobicContact CG-CG2 4.13Å
566	V	98.6	Very high	97.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	107.1	174.7	-153.3	0	0	0	0	109.7	M542 F543 L568 L574 V707 I709 V731 Y740	M542-V566 WeakPolarHBondContact O-CA 3.27Å; F543-V566 HydrophobicContact CD2-CG1 4.39Å; F543-V566 HydrophobicContact CD2-CG2 3.87Å; F543-V566 HydrophobicContact CE2-CG2 4.08Å; V566-L568 HydrophobicContact CB-CD2 4.32Å; V566-L568 HydrophobicContact CB-CG 4.42Å; V566-L568 HydrophobicContact CG1-CD2 3.66Å; V566-L568 HydrophobicContact CG1-CG 4.22Å; V566-L568 PolarHBondContact O-N 3.15Å; V566-L574 HydrophobicContact CB-CB 4.4Å; V566-L574 HydrophobicContact CG2-CD2 4.48Å; V566-L574 PolarHBondContact N-O 2.95Å; V566-L574 PolarHBondContact O-N 3.43Å; V566-V707 HydrophobicContact CB-CG1 4.48Å; V566-V707 HydrophobicContact CG1-CG1 4.3Å; V566-V707 HydrophobicContact CG2-CG1 4Å; V566-I709 HydrophobicContact CG2-CD1 3.77Å; V566-I709 HydrophobicContact CG2-CG1 4.37Å; V566-V731 HydrophobicContact CG1-CG2 4.11Å; V566-Y740 HydrophobicContact CG1-CE2 4Å
567	L	98.2	Very high	97.8	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	107.4	171.6	-171	71.4	0	0	0	108	Y412 V425 F469 T541 M542 N569 L573	Y412-L567 HydrophobicContact CD1-CD2 3.79Å; Y412-L567 HydrophobicContact CE1-CD2 3.39Å; V425-L567 HydrophobicContact CG2-CD1 4.23Å; V425-L567 HydrophobicContact CG2-CD2 4.23Å; F469-L567 HydrophobicContact CE2-CD1 3.92Å; F469-L567 HydrophobicContact CZ-CD1 4.42Å; T541-L567 VanDerWaalsContact CA-O 3.26Å; T541-L567 WeakPolarHBondContact CA-O 3.42Å; T541-L567 WeakPolarHBondContact CB-O 3.22Å; M542-L567 HydrophobicContact CG-CB 3.44Å; M542-L567 VanDerWaalsContact CG-CB 3.44Å; M542-L567 HydrophobicContact CG-CD2 3.97Å; M542-L567 HydrophobicContact CG-CG 4.36Å; M542-L567 PolarHBondContact N-O 2.85Å; M542-L567 PolarHBondContact O-N 2.89Å; L567-N569 VanDerWaalsContact CD1-O 3.24Å; L567-N569 WeakPolarHBondContact CD1-O 3.36Å; L567-N569 WeakPolarHBondContact CG-O 3.23Å; L567-L573 HydrophobicContact CB-CD1 4.44Å; L567-L573 HydrophobicContact CD1-CB 4.32Å
568	L	96.5	Very high	97.9	Very high	1 Å²	1	8 Å²	8	1%	0.005	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-8	-170.7	-64.8	169.6	0	0	0	113.6	V566 T572 L574 L698 I700 K705 V707 V731	V566-L568 HydrophobicContact CB-CD2 4.32Å; V566-L568 HydrophobicContact CB-CG 4.42Å; V566-L568 HydrophobicContact CG1-CD2 3.66Å; V566-L568 HydrophobicContact CG1-CG 4.22Å; V566-L568 PolarHBondContact O-N 3.15Å; L568-T572 PolarHBondContact N-O 3.43Å; L568-L574 HydrophobicContact CD1-CB 4.11Å; L568-L698 HydrophobicContact CD1-CD2 3.41Å; L568-L698 VanDerWaalsContact CD1-CD2 3.41Å; L568-I700 HydrophobicContact CB-CD1 3.84Å; L568-I700 HydrophobicContact CD1-CD1 4.27Å; L568-K705 PolarHBondContact O-NZ 2.68Å; L568-V707 HydrophobicContact CD1-CG2 3.92Å; L568-V707 HydrophobicContact CD2-CG2 3.76Å; L568-V731 HydrophobicContact CD2-CG1 4.03Å; L568-V731 HydrophobicContact CD2-CG2 3.84Å
569	N	94.6	Very high	97.9	Very high	22 Å²	22	7.2 Å²	7.2	12%	0.118	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.7	172.5	164.5	61.2	85.1	0	0	0	106.2	L567 Q571 T572	L567-N569 VanDerWaalsContact CD1-O 3.24Å; L567-N569 WeakPolarHBondContact CD1-O 3.36Å; L567-N569 WeakPolarHBondContact CG-O 3.23Å; N569-Q571 PolarHBondContact O-N 3.12Å; N569-Q571 WeakPolarHBondContact OD1-CA 3.48Å; N569-Q571 PolarHBondContact OD1-N 2.9Å; N569-T572 VanDerWaalsContact ND2-CB 3.29Å; N569-T572 WeakPolarHBondContact ND2-CB 3.36Å; N569-T572 PolarHBondContact ND2-OG1 2.93Å; N569-T572 PolarHBondContact O-N 3.31Å; N569-T572 VanDerWaalsContact O-N 3.12Å; N569-T572 PolarHBondContact OD1-N 3.48Å
570	S	94.1	Very high	97.9	Very high	22 Å²	22	7 Å²	7	15%	0.154	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-16.6	179.3	58.1	0	0	0	0	116.5	S421 T423	S421-S570 WeakPolarHBondContact CB-OG 3.43Å; S421-S570 WeakPolarHBondContact O-CB 3.45Å; T423-S570 VanDerWaalsContact CB-O 3.26Å; T423-S570 WeakPolarHBondContact CB-O 3.3Å; T423-S570 VanDerWaalsContact CG2-O 3.25Å; T423-S570 WeakPolarHBondContact CG2-O 3.42Å; T423-S570 PolarHBondContact OG1-O 2.98Å
571	Q	95.6	Very high	97.9	Very high	11 Å²	11	7.4 Å²	7.4	5%	0.051	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.5	26.9	-179.9	-72	175.8	82.4	0	0	113.2	P471 N472 N569 H675 G676 Y678 V679	P471-Q571 HydrophobicContact CB-CG 4.25Å; N472-Q571 PolarHBondContact ND2-OE1 3.33Å; N472-Q571 WeakPolarHBondContact OD1-CG 3.4Å; N472-Q571 PolarHBondContact OD1-NE2 2.21Å; N472-Q571 PolarHBondContact OD1-OE1 3.17Å; N569-Q571 PolarHBondContact O-N 3.12Å; N569-Q571 WeakPolarHBondContact OD1-CA 3.48Å; N569-Q571 PolarHBondContact OD1-N 2.9Å; Q571-H675 VanDerWaalsContact O-CA 3.23Å; Q571-H675 WeakPolarHBondContact O-CA 3.3Å; Q571-H675 WeakPolarHBondContact O-CB 3.35Å; Q571-G676 PolarHBondContact O-N 3.06Å; Q571-Y678 VanDerWaalsContact OE1-CD2 3.27Å; Q571-V679 HydrophobicContact CB-CG2 3.65Å
572	T	97.8	Very high	97.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	111.9	170.1	-48.7	0	0	0	0	111.8	L568 N569 V673 F674 H675 V679 V681 L698 I700	L568-T572 PolarHBondContact N-O 3.43Å; N569-T572 VanDerWaalsContact ND2-CB 3.29Å; N569-T572 WeakPolarHBondContact ND2-CB 3.36Å; N569-T572 PolarHBondContact ND2-OG1 2.93Å; N569-T572 PolarHBondContact O-N 3.31Å; N569-T572 VanDerWaalsContact O-N 3.12Å; N569-T572 PolarHBondContact OD1-N 3.48Å; T572-V673 HydrophobicContact CG2-CG1 4.45Å; T572-F674 WeakPolarHBondContact CA-O 3.47Å; T572-H675 HydrophobicContact CG2-CB 4.35Å; T572-V679 WeakPolarHBondContact OG1-CG1 3.13Å; T572-V681 HydrophobicContact CG2-CG2 4.33Å; T572-L698 HydrophobicContact CG2-CD2 4.11Å; T572-I700 HydrophobicContact CG2-CD1 3.96Å
573	L	98.7	Very high	97.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.5	175.3	179.4	65.4	0	0	0	109.3	F467 F469 L565 L567 V575 F674	F467-L573 HydrophobicContact CD2-CD2 4.13Å; F467-L573 HydrophobicContact CE2-CD2 4Å; F469-L573 HydrophobicContact CB-CD2 4Å; F469-L573 HydrophobicContact CD1-CB 4.16Å; F469-L573 HydrophobicContact CD1-CD2 4.06Å; F469-L573 HydrophobicContact CD2-CB 4.41Å; F469-L573 HydrophobicContact CD2-CD2 4.09Å; F469-L573 HydrophobicContact CE1-CB 3.83Å; F469-L573 HydrophobicContact CE2-CB 4.08Å; F469-L573 HydrophobicContact CG-CB 4.45Å; F469-L573 HydrophobicContact CG-CD2 3.8Å; F469-L573 HydrophobicContact CZ-CB 3.78Å; L565-L573 HydrophobicContact CB-CD1 4.09Å; L565-L573 HydrophobicContact CD2-CD1 4.24Å; L565-L573 HydrophobicContact CD2-CD2 4.29Å; L565-L573 HydrophobicContact CG-CD1 4.06Å; L567-L573 HydrophobicContact CB-CD1 4.44Å; L567-L573 HydrophobicContact CD1-CB 4.32Å; L573-V575 HydrophobicContact CD2-CG2 4.2Å; L573-V575 HydrophobicContact CG-CG2 4.15Å; L573-F674 HydrophobicContact CB-CB 4.37Å; L573-F674 PolarHBondContact N-O 3.44Å; L573-F674 PolarHBondContact O-N 2.99Å
574	L	98.8	Very high	97.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.3	166.5	171	65	0	0	0	108.4	L565 V566 L568 A671 V673 L696 V707	L565-L574 CarbonylContact C-O 3.59Å; L565-L574 WeakPolarHBondContact CA-O 3.41Å; V566-L574 HydrophobicContact CB-CB 4.4Å; V566-L574 HydrophobicContact CG2-CD2 4.48Å; V566-L574 PolarHBondContact N-O 2.95Å; V566-L574 PolarHBondContact O-N 3.43Å; L568-L574 HydrophobicContact CD1-CB 4.11Å; L574-A671 HydrophobicContact CD1-CB 4.21Å; L574-V673 HydrophobicContact CD1-CG2 3.96Å; L574-L696 HydrophobicContact CD1-CD2 4.43Å; L574-V707 HydrophobicContact CD2-CB 4.11Å; L574-V707 HydrophobicContact CD2-CG1 3.97Å; L574-V707 HydrophobicContact CD2-CG2 4.18Å
575	V	98.8	Very high	97.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132.1	169.4	-175.6	0	0	0	0	108.3	F467 R563 A564 L565 L573 A671 Y672 F674	F467-V575 HydrophobicContact CE1-CG1 4.36Å; F467-V575 HydrophobicContact CE1-CG2 4.14Å; F467-V575 HydrophobicContact CE2-CG2 4.17Å; F467-V575 HydrophobicContact CZ-CG2 3.81Å; R563-V575 HydrophobicContact CG-CG1 4Å; A564-V575 WeakPolarHBondContact O-CA 3.39Å; L565-V575 HydrophobicContact CD1-CG1 4.03Å; L565-V575 HydrophobicContact CD1-CG2 4.19Å; L565-V575 HydrophobicContact CG-CG2 4.13Å; L573-V575 HydrophobicContact CD2-CG2 4.2Å; L573-V575 HydrophobicContact CG-CG2 4.15Å; V575-A671 WeakPolarHBondContact O-CA 3.49Å; V575-Y672 HydrophobicContact CB-CD2 4.34Å; V575-Y672 HydrophobicContact CG1-CD2 4.34Å; V575-Y672 PolarHBondContact N-O 2.84Å; V575-Y672 PolarHBondContact O-N 2.78Å; V575-F674 HydrophobicContact CB-CE2 4.24Å; V575-F674 HydrophobicContact CG2-CD2 3.99Å; V575-F674 HydrophobicContact CG2-CE2 3.62Å
576	L	98.8	Very high	97.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	124.4	171.1	177.2	79.8	0	0	0	108.7	R563 A564 V670 F686 V694 L696 I709 T711	R563-L576 WeakPolarHBondContact CA-O 3.32Å; A564-L576 PolarHBondContact N-O 3.19Å; A564-L576 PolarHBondContact O-N 2.95Å; L576-V670 WeakPolarHBondContact CA-O 3.17Å; L576-F686 HydrophobicContact CD1-CE1 4Å; L576-F686 HydrophobicContact CD1-CZ 4.05Å; L576-V694 HydrophobicContact CD1-CG2 3.96Å; L576-V694 HydrophobicContact CD2-CG2 3.43Å; L576-V694 VanDerWaalsContact CD2-CG2 3.43Å; L576-V694 HydrophobicContact CG-CG2 4.35Å; L576-L696 HydrophobicContact CD1-CD1 4.49Å; L576-I709 HydrophobicContact CB-CD1 4.07Å; L576-I709 HydrophobicContact CD2-CB 4.11Å; L576-I709 HydrophobicContact CD2-CD1 3.91Å; L576-I709 HydrophobicContact CD2-CG2 3.91Å; L576-T711 HydrophobicContact CD2-CG2 4.32Å
577	D	98.7	Very high	97.3	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.016	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	135.6	162.8	-78.9	-47.2	0	0	0	110.4	L493 R563 R669 V670 Y672	L493-D577 HydrophobicContact CD1-CB 4.21Å; R563-D577 WeakPolarHBondContact CB-OD1 3.23Å; R563-D577 IonicContact CZ-OD1 3.22Å; R563-D577 IonicContact CZ-OD2 3.98Å; R563-D577 IonicContact NE-OD1 3.37Å; R563-D577 PolarHBondContact NE-OD1 3.44Å; R563-D577 IonicContact NE-OD2 3.67Å; R563-D577 PolarHBondContact NE-OD2 2.99Å; R563-D577 IonicContact NH2-OD1 3.77Å; R563-D577 PolarHBondContact NH2-OD1 2.79Å; R563-D577 IonicContact NH2-OD2 2.88Å; R563-D577 PolarHBondContact NH2-OD2 3.43Å; D577-R669 VanDerWaalsContact O-CA 3.29Å; D577-R669 WeakPolarHBondContact O-CA 3.41Å; D577-V670 PolarHBondContact N-O 2.69Å; D577-V670 PolarHBondContact O-N 3.41Å; D577-Y672 HydrophobicContact CB-CE2 4.29Å; D577-Y672 WeakPolarHBondContact OD2-CE2 3.42Å
578	H	98.4	Very high	97.3	Very high	8 Å²	8	32.3 Å²	32.3	4%	0.037	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	116.4	172	171.5	55.1	0	0	0	109.2	F562 R669 T711	F562-H578 HydrophobicContact CB-CB 4.39Å; F562-H578 HydrophobicContact CD1-CB 4.15Å; F562-H578 PolarHBondContact N-O 3.17Å; F562-H578 PolarHBondContact O-N 3.08Å; H578-R669 HydrophobicContact CB-CG 4.1Å; H578-R669 WeakPolarHBondContact ND1-CG 3.4Å; H578-R669 PolarHBondContact ND1-NE 3.41Å; H578-T711 HydrophobicContact CB-CG2 4Å; H578-T711 WeakPolarHBondContact CD2-CB 3.46Å; H578-T711 PolarHBondContact NE2-OG1 2.82Å
579	V	98.5	Very high	97.4	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.1	175.9	-175.4	0	0	0	0	108.5	L493 F495 L558 S560 L590 M663 V667 S668	L493-V579 HydrophobicContact CD1-CG2 3.8Å; F495-V579 HydrophobicContact CE1-CG1 3.85Å; F495-V579 HydrophobicContact CE1-CG2 4.02Å; F495-V579 HydrophobicContact CZ-CG1 4.03Å; F495-V579 HydrophobicContact CZ-CG2 3.98Å; L558-V579 HydrophobicContact CD2-CG1 3.95Å; S560-V579 WeakPolarHBondContact O-CA 3.38Å; V579-L590 HydrophobicContact CB-CD2 4.5Å; V579-L590 HydrophobicContact CG2-CD2 4.11Å; V579-M663 HydrophobicContact CB-CE 3.95Å; V579-M663 HydrophobicContact CG1-CE 3.6Å; V579-V667 WeakPolarHBondContact O-CA 3.42Å; V579-S668 PolarHBondContact N-O 3.41Å; V579-S668 PolarHBondContact O-N 2.92Å
580	E	97.9	Very high	97.5	Very high	63 Å²	63	32.8 Å²	32.8	29%	0.294	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	139.7	167.7	-163.8	-169.6	156	0	0	109.6	K559 S560 A666 V667	K559-E580 HydrophobicContact CB-CB 4.19Å; K559-E580 HydrophobicContact CB-CG 4.45Å; K559-E580 HydrophobicContact CD-CB 4.37Å; K559-E580 VanDerWaalsContact CD-CD 3.46Å; K559-E580 HydrophobicContact CD-CG 3.75Å; K559-E580 WeakPolarHBondContact CD-OE1 3.29Å; K559-E580 WeakPolarHBondContact CE-OE1 3.23Å; K559-E580 PolarHBondContact N-O 2.84Å; K559-E580 IonicContact NZ-OE1 2.71Å; K559-E580 PolarHBondContact NZ-OE1 3.04Å; S560-E580 PolarHBondContact N-O 3.06Å; S560-E580 PolarHBondContact O-N 2.9Å; S560-E580 VanDerWaalsContact O-N 3.08Å; E580-A666 WeakPolarHBondContact CA-O 3.47Å; E580-A666 WeakPolarHBondContact CG-O 3.22Å; E580-V667 HydrophobicContact CB-CG2 4.36Å; E580-V667 HydrophobicContact CG-CG2 3.82Å
581	K	97.5	Very high	97.7	Very high	20 Å²	20	31.9 Å²	31.9	9%	0.087	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	161.4	177.8	73.3	-167.2	-167	94.8	0	112.5	L558 K559 S585 V587 M663 G665 A666	L558-K581 HydrophobicContact CD2-CB 4.1Å; K559-K581 PolarHBondContact NZ-O 3.06Å; K581-S585 PolarHBondContact NZ-O 3.07Å; K581-V587 VanDerWaalsContact CE-O 3.3Å; K581-V587 WeakPolarHBondContact CE-O 3.31Å; K581-V587 PolarHBondContact NZ-O 3.02Å; K581-M663 HydrophobicContact CD-CE 3.95Å; K581-M663 HydrophobicContact CD-SD 4.47Å; K581-G665 VanDerWaalsContact CE-O 3.3Å; K581-G665 WeakPolarHBondContact CE-O 3.44Å; K581-A666 PolarHBondContact N-O 2.89Å
582	W	97.6	Very high	97.8	Very high	134 Å²	134	31.3 Å²	31.3	51%	0.508	17%	0.167	S	C	.	.			trans	-69.9	154.2	169.6	-64.9	100.1	0	0	0	110.6	R557 K559 D584 S585	R557-W582 HydrophobicContact CB-CB 4.25Å; R557-W582 HydrophobicContact CB-CG 4.49Å; R557-W582 VanDerWaalsContact O-CD1 3.24Å; R557-W582 PolarHBondContact O-N 3.45Å; K559-W582 HydrophobicContact CD-CD2 4.19Å; K559-W582 HydrophobicContact CD-CZ2 4.36Å; K559-W582 VanDerWaalsContact CE-CZ3 3.5Å; K559-W582 HydrophobicContact CG-CD2 3.91Å; K559-W582 VanDerWaalsContact CG-CE2 3.46Å; K559-W582 HydrophobicContact CG-CG 4.11Å; K559-W582 HydrophobicContact CG-CZ2 3.84Å; W582-D584 WeakPolarHBondContact CB-OD1 3.47Å; W582-D584 PolarHBondContact O-N 3.19Å; W582-S585 WeakPolarHBondContact O-CB 3.38Å; W582-S585 PolarHBondContact O-N 3.22Å
583	A	95.3	Very high	97.8	Very high	102 Å²	102	31.9 Å²	31.9	84%	0.843	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.8	-174.2	0	0	0	0	0	113
584	D	95.4	Very high	97.7	Very high	94 Å²	94	31.9 Å²	31.9	50%	0.503	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	21.6	177.9	52.8	-6.1	0	0	0	112.7	R557 W582	R557-D584 IonicContact CZ-OD1 2.68Å; R557-D584 IonicContact CZ-OD2 2.68Å; R557-D584 IonicContact NE-OD1 3.19Å; R557-D584 IonicContact NH1-OD1 3.17Å; R557-D584 PolarHBondContact NH1-OD1 3.3Å; R557-D584 IonicContact NH1-OD2 3.67Å; R557-D584 PolarHBondContact NH1-OD2 2.84Å; R557-D584 IonicContact NH2-OD1 2.7Å; R557-D584 PolarHBondContact NH2-OD1 3.16Å; R557-D584 IonicContact NH2-OD2 3.62Å; R557-D584 PolarHBondContact NH2-OD2 3.32Å; W582-D584 WeakPolarHBondContact CB-OD1 3.47Å; W582-D584 PolarHBondContact O-N 3.19Å
585	S	97.8	Very high	97.5	Very high	10 Å²	10	31.9 Å²	31.9	7%	0.07	17%	0.17	C	C	.	.			trans	-70.3	131.1	169.3	166.8	0	0	0	0	111.5	M556 K581 W582 V587	M556-S585 WeakPolarHBondContact O-CB 3.47Å; M556-S585 PolarHBondContact O-OG 3.03Å; K581-S585 PolarHBondContact NZ-O 3.07Å; W582-S585 WeakPolarHBondContact O-CB 3.38Å; W582-S585 PolarHBondContact O-N 3.22Å; S585-V587 PolarHBondContact O-N 2.78Å; S585-V587 PolarHBondContact OG-N 2.95Å
586	P	97.2	Very high	97.2	Very high	43 Å²	43	31.9 Å²	31.9	28%	0.279	17%	0.17	S	C	.	.			trans	-67.7	-21.2	179.5	28.4	-36.1	0	0	0	113.5	P497 P499	P497-P586 WeakPolarHBondContact CD-O 3.46Å; P497-P586 WeakPolarHBondContact CG-O 3.26Å; P499-P586 HydrophobicContact CG-CB 4.29Å; P499-P586 HydrophobicContact CG-CG 3.76Å
587	V	98	Very high	96.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.173	C	C	.	.			trans	-65.3	133.2	-174.3	-177.6	0	0	0	0	110.9	F495 M556 K581 S585 S589 M663	F495-V587 HydrophobicContact CB-CG1 3.84Å; F495-V587 HydrophobicContact CB-CG2 4.12Å; F495-V587 HydrophobicContact CD1-CG1 3.93Å; F495-V587 HydrophobicContact CG-CG1 4.27Å; M556-V587 HydrophobicContact CB-CG2 3.94Å; M556-V587 HydrophobicContact CG-CG2 4.4Å; K581-V587 VanDerWaalsContact CE-O 3.3Å; K581-V587 WeakPolarHBondContact CE-O 3.31Å; K581-V587 PolarHBondContact NZ-O 3.02Å; S585-V587 PolarHBondContact O-N 2.78Å; S585-V587 PolarHBondContact OG-N 2.95Å; V587-S589 WeakPolarHBondContact CG1-O 3.39Å; V587-M663 HydrophobicContact CG1-SD 3.58Å; V587-M663 VanDerWaalsContact CG1-SD 3.58Å
588	K	97.8	Very high	95.8	Very high	145 Å²	145	32.8 Å²	32.8	63%	0.63	18%	0.175	S	C	*	.			trans	-124.9	-14.1	-178.8	-65.7	176.7	-175.5	178.4	0	113.5	S496 M663	S496-K588 PolarHBondContact O-N 2.94Å; K588-M663 PolarHBondContact O-N 3.08Å
589	S	97.8	Very high	94.3	Very high	31 Å²	31	36.7 Å²	36.7	22%	0.217	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	150.2	-179.9	-59.4	0	0	0	0	110.9	S496 V587 F661	S496-S589 PolarHBondContact N-O 3.39Å; S496-S589 PolarHBondContact O-N 3.12Å; V587-S589 WeakPolarHBondContact CG1-O 3.39Å; S589-F661 WeakPolarHBondContact CA-O 3.32Å
590	L	97.8	Very high	93.2	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	151.7	166.3	66.5	87.2	0	0	0	109.6	L493 V494 F495 V579 T660 F661 M663	L493-L590 HydrophobicContact CD2-CD1 4.38Å; V494-L590 CarbonylContact O-C 3.58Å; V494-L590 WeakPolarHBondContact O-CA 3.44Å; F495-L590 HydrophobicContact CD1-CB 3.74Å; F495-L590 HydrophobicContact CE1-CB 3.63Å; V579-L590 HydrophobicContact CB-CD2 4.5Å; V579-L590 HydrophobicContact CG2-CD2 4.11Å; L590-T660 CarbonylContact O-C 3.57Å; L590-T660 WeakPolarHBondContact O-CA 3.32Å; L590-F661 HydrophobicContact CD1-CB 4.07Å; L590-F661 HydrophobicContact CD1-CD2 4.26Å; L590-F661 HydrophobicContact CG-CB 4.22Å; L590-F661 PolarHBondContact N-O 2.92Å; L590-F661 PolarHBondContact O-N 3.07Å; L590-M663 HydrophobicContact CB-SD 4.2Å; L590-M663 HydrophobicContact CD2-CE 4.31Å; L590-M663 HydrophobicContact CD2-CG 4.13Å; L590-M663 HydrophobicContact CD2-SD 4.16Å; L590-M663 HydrophobicContact CG-CG 4.41Å
591	S	97.9	Very high	92.5	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.014	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	140.7	169.5	-127.7	0	0	0	0	110.3	L493 V494 N658 V659 T660	L493-S591 WeakPolarHBondContact CA-O 3.28Å; V494-S591 PolarHBondContact N-O 3.2Å; V494-S591 PolarHBondContact O-N 3.33Å; S591-N658 PolarHBondContact OG-OD1 2.99Å; S591-V659 WeakPolarHBondContact CA-O 3.47Å; S591-V659 PolarHBondContact OG-O 3.28Å; S591-T660 VanDerWaalsContact OG-CA 3.31Å; S591-T660 WeakPolarHBondContact OG-CA 3.42Å; S591-T660 PolarHBondContact OG-N 3.26Å; S591-T660 PolarHBondContact OG-OG1 2.79Å
592	A	97.6	Very high	92	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	144.7	174.3	0	0	0	0	0	111	L493 F594 V659 Y672	L493-A592 HydrophobicContact CD2-CB 3.58Å; A592-F594 HydrophobicContact CB-CE2 4.18Å; A592-F594 HydrophobicContact CB-CZ 3.89Å; A592-V659 PolarHBondContact N-O 3.13Å; A592-V659 PolarHBondContact O-N 3.22Å; A592-Y672 HydrophobicContact CB-CE1 4.06Å; A592-Y672 VanDerWaalsContact CB-OH 3.28Å; A592-Y672 WeakPolarHBondContact CB-OH 3.14Å
593	F	97.1	Very high	91.8	Very high	11 Å²	11	37.9 Å²	37.9	5%	0.048	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	139.9	177.9	-58.9	-82.3	0	0	0	111.8	Y488 N491 V492 V494 Y656 V657 N658	Y488-F593 VanDerWaalsContact CB-CZ 3.42Å; N491-F593 WeakPolarHBondContact CA-O 3.29Å; V492-F593 PolarHBondContact O-N 3.36Å; V494-F593 HydrophobicContact CB-CE2 4.26Å; V494-F593 HydrophobicContact CG1-CE2 3.79Å; V494-F593 HydrophobicContact CG2-CE2 3.48Å; V494-F593 VanDerWaalsContact CG2-CE2 3.48Å; V494-F593 HydrophobicContact CG2-CZ 3.96Å; F593-Y656 AromaticContact CD1-CD2 3.66Å; F593-Y656 HydrophobicContact CD1-CD2 3.66Å; F593-Y656 AromaticContact CD1-CE2 3.85Å; F593-Y656 HydrophobicContact CD1-CE2 3.85Å; F593-Y656 HydrophobicContact CE1-CD2 4.22Å; F593-Y656 AromaticContact CE1-CE2 3.95Å; F593-Y656 HydrophobicContact CE1-CE2 3.95Å; F593-V657 WeakPolarHBondContact CA-O 3.33Å; F593-N658 HydrophobicContact CD1-CB 4.01Å; F593-N658 HydrophobicContact CE1-CB 3.78Å
594	F	97.1	Very high	91.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	111.6	174.1	-51.4	-62.8	0	0	0	109.8	F467 N491 A592 Y603 M626 Y656 V657 V659 Y672 F674	F467-F594 HydrophobicContact CE1-CD1 4.08Å; F467-F594 AromaticContact CE1-CE1 3.82Å; F467-F594 HydrophobicContact CE1-CE1 3.82Å; F467-F594 AromaticContact CZ-CD1 3.85Å; F467-F594 HydrophobicContact CZ-CD1 3.85Å; F467-F594 AromaticContact CZ-CE1 3.85Å; F467-F594 HydrophobicContact CZ-CE1 3.85Å; N491-F594 WeakPolarHBondContact OD1-CA 3.22Å; A592-F594 HydrophobicContact CB-CE2 4.18Å; A592-F594 HydrophobicContact CB-CZ 3.89Å; F594-Y603 WeakPolarHBondContact O-CE2 3.11Å; F594-M626 HydrophobicContact CB-CE 4.43Å; F594-M626 HydrophobicContact CB-SD 4.36Å; F594-M626 HydrophobicContact CD2-SD 4.23Å; F594-Y656 CarbonylContact O-C 3.51Å; F594-Y656 WeakPolarHBondContact O-CA 3.21Å; F594-Y656 WeakPolarHBondContact O-CB 3.08Å; F594-V657 HydrophobicContact CB-CB 4.5Å; F594-V657 HydrophobicContact CD2-CB 4.42Å; F594-V657 PolarHBondContact N-O 3.05Å; F594-V657 VanDerWaalsContact N-O 3.11Å; F594-V657 PolarHBondContact O-N 2.84Å; F594-V659 HydrophobicContact CE2-CG2 4.26Å; F594-Y672 AromaticContact CE2-CD1 3.42Å; F594-Y672 HydrophobicContact CE2-CD1 3.42Å; F594-Y672 VanDerWaalsContact CE2-CD1 3.42Å; F594-Y672 AromaticContact CE2-CE1 3.58Å; F594-Y672 HydrophobicContact CE2-CE1 3.58Å; F594-Y672 HydrophobicContact CE2-CG 4.22Å; F594-Y672 AromaticContact CZ-CD1 3.37Å; F594-Y672 HydrophobicContact CZ-CD1 3.37Å; F594-Y672 HydrophobicContact CZ-CD2 4.23Å; F594-Y672 AromaticContact CZ-CE1 3.53Å; F594-Y672 HydrophobicContact CZ-CE1 3.53Å; F594-Y672 HydrophobicContact CZ-CE2 4.35Å; F594-Y672 AromaticContact CZ-CG 3.77Å; F594-Y672 HydrophobicContact CZ-CG 3.77Å; F594-F674 HydrophobicContact CD1-CE1 4.31Å; F594-F674 AromaticContact CD1-CZ 3.77Å; F594-F674 HydrophobicContact CD1-CZ 3.77Å; F594-F674 HydrophobicContact CD2-CZ 4.29Å; F594-F674 AromaticContact CE1-CZ 3.83Å; F594-F674 HydrophobicContact CE1-CZ 3.83Å; F594-F674 HydrophobicContact CE2-CZ 4.34Å; F594-F674 HydrophobicContact CG-CE1 4.24Å; F594-F674 HydrophobicContact CG-CZ 4.03Å; F594-F674 HydrophobicContact CZ-CZ 4.12Å
595	H	95.6	Very high	91.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	152.4	-171.5	-74.9	-99.4	0	0	0	113.4	V477 S478 Y488 N491 Y603 T654 Q655 Y656	V477-H595 WeakPolarHBondContact CA-O 3.38Å; S478-H595 PolarHBondContact N-O 3Å; S478-H595 VanDerWaalsContact O-CB 3.3Å; S478-H595 WeakPolarHBondContact O-CB 3.48Å; Y488-H595 PolarHBondContact O-NE2 3.13Å; Y488-H595 VanDerWaalsContact O-NE2 3.11Å; N491-H595 PolarHBondContact OD1-N 3.07Å; H595-Y603 PolarHBondContact O-OH 3.21Å; H595-Y603 VanDerWaalsContact O-OH 3.08Å; H595-T654 PolarHBondContact ND1-OG1 3.02Å; H595-Q655 CarbonylContact C-O 3.52Å; H595-Y656 AromaticContact CE1-CD1 3.41Å; H595-Y656 VanDerWaalsContact CE1-CD1 3.41Å; H595-Y656 WeakPolarHBondContact CE1-CD1 3.44Å; H595-Y656 AromaticContact CE1-CG 3.64Å; H595-Y656 AromaticContact ND1-CD1 3.84Å
596	N	92.4	Very high	91.6	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	153.1	157.8	-173.8	18.9	0	0	0	109.1	D598 F601 Y603 T654 Q655	N596-D598 PolarHBondContact OD1-N 3.34Å; N596-F601 PolarHBondContact ND2-O 2.84Å; N596-Y603 HydrophobicContact CB-CD2 4.38Å; N596-Y603 HydrophobicContact CB-CE1 4.5Å; N596-Y603 HydrophobicContact CB-CE2 3.69Å; N596-T654 PolarHBondContact O-OG1 3.04Å; N596-Q655 PolarHBondContact N-O 3.48Å; N596-Q655 PolarHBondContact O-N 3.33Å; N596-Q655 VanDerWaalsContact O-N 3.07Å
597	L	86.3	Confident	91.4	Very high	11 Å²	11	42.1 Å²	42.1	6%	0.058	21%	0.209	C	C	.	.			trans	-117.4	-14.4	175.5	-72.4	176.2	0	0	0	113.5	Y326 S478 E479 L481 I599 W653	Y326-L597 HydrophobicContact CE1-CB 4.47Å; Y326-L597 HydrophobicContact CE1-CD1 4.41Å; S478-L597 PolarHBondContact OG-N 3.47Å; E479-L597 WeakPolarHBondContact O-CD1 3.24Å; L481-L597 HydrophobicContact CB-CD1 4.39Å; L481-L597 HydrophobicContact CD1-CD1 3.55Å; L481-L597 HydrophobicContact CG-CD1 3.51Å; L597-I599 PolarHBondContact O-N 2.72Å; L597-W653 WeakPolarHBondContact CD2-O 3.05Å
598	D	80.2	Confident	91.3	Very high	11 Å²	11	42.7 Å²	42.7	6%	0.059	21%	0.212	C	C	.	.			trans	-74.5	92.7	178.8	-73.2	-30.5	0	0	0	110.1	R317 N596 D600 F601	R317-D598 IonicContact CZ-OD1 3.36Å; R317-D598 VanDerWaalsContact CZ-OD1 3.29Å; R317-D598 IonicContact CZ-OD2 2.67Å; R317-D598 VanDerWaalsContact NH1-CG 3.3Å; R317-D598 IonicContact NH1-OD1 3.66Å; R317-D598 PolarHBondContact NH1-OD1 2.98Å; R317-D598 IonicContact NH1-OD2 2.89Å; R317-D598 PolarHBondContact NH1-OD2 2.98Å; R317-D598 IonicContact NH2-OD1 3.7Å; R317-D598 PolarHBondContact NH2-OD1 3.14Å; R317-D598 IonicContact NH2-OD2 3.19Å; N596-D598 PolarHBondContact OD1-N 3.34Å; D598-D600 PolarHBondContact O-N 3Å; D598-F601 HydrophobicContact CB-CB 4.4Å; D598-F601 HydrophobicContact CB-CD2 3.88Å; D598-F601 CarbonylContact O-C 3.34Å; D598-F601 PolarHBondContact O-N 3.18Å
599	I	68.4	Low	90.9	Very high	89 Å²	89	41.1 Å²	41.1	46%	0.456	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-29.4	-179.4	53.9	171.2	0	0	0	113.9	L597 F601 W653	L597-I599 PolarHBondContact O-N 2.72Å; I599-F601 VanDerWaalsContact C-N 3.32Å; I599-W653 HydrophobicContact CB-CE3 4.45Å; I599-W653 HydrophobicContact CB-CZ3 4.37Å; I599-W653 HydrophobicContact CG2-CD2 3.97Å; I599-W653 HydrophobicContact CG2-CE3 3.39Å; I599-W653 HydrophobicContact CG2-CZ3 3.75Å
600	D	75.1	Confident	90.5	Very high	127 Å²	127	46.3 Å²	46.3	68%	0.679	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-20	-179.2	-54.3	-55.7	0	0	0	112.4	D598	D598-D600 PolarHBondContact O-N 3Å
601	F	81.8	Confident	90.3	Very high	25 Å²	25	52.3 Å²	52.3	11%	0.11	26%	0.26	C	S	.	.	S	Bend	trans	-124	64.9	-173.2	-52.2	-49.1	0	0	0	110.6	N596 D598 I599 M617 D618 V619 W620	N596-F601 PolarHBondContact ND2-O 2.84Å; D598-F601 HydrophobicContact CB-CB 4.4Å; D598-F601 HydrophobicContact CB-CD2 3.88Å; D598-F601 CarbonylContact O-C 3.34Å; D598-F601 PolarHBondContact O-N 3.18Å; I599-F601 VanDerWaalsContact C-N 3.32Å; F601-M617 HydrophobicContact CB-CG 3.78Å; F601-M617 HydrophobicContact CB-SD 3.87Å; F601-M617 WeakPolarHBondContact O-CG 3.25Å; F601-D618 WeakPolarHBondContact CD1-O 3.44Å; F601-V619 HydrophobicContact CB-CG2 4.13Å; F601-V619 HydrophobicContact CD1-CB 4.25Å; F601-V619 HydrophobicContact CD1-CG1 4.19Å; F601-V619 HydrophobicContact CD1-CG2 3.91Å; F601-V619 HydrophobicContact CD2-CG1 4.49Å; F601-V619 HydrophobicContact CD2-CG2 4.24Å; F601-V619 HydrophobicContact CE1-CB 4.33Å; F601-V619 HydrophobicContact CE1-CG1 3.84Å; F601-V619 HydrophobicContact CE1-CG2 4.41Å; F601-V619 HydrophobicContact CE2-CG1 4.17Å; F601-V619 HydrophobicContact CG-CG2 3.83Å; F601-V619 HydrophobicContact CZ-CG1 3.84Å; F601-W620 HydrophobicContact CE1-CD2 4.48Å; F601-W620 HydrophobicContact CE1-CZ2 4.12Å; F601-W620 AromaticContact CZ-CH2 3.89Å; F601-W620 HydrophobicContact CZ-CH2 3.89Å; F601-W620 AromaticContact CZ-CZ2 3.68Å; F601-W620 HydrophobicContact CZ-CZ2 3.68Å; F601-W620 HydrophobicContact CZ-CZ3 4.39Å
602	K	87.7	Confident	90.2	Very high	85 Å²	85	52.6 Å²	52.6	37%	0.37	26%	0.26	S	S	.	.			trans	-66.1	145.5	-179.9	-65	-157.8	174.2	-166.9	0	112.6	E642 W653 Q655	K602-E642 VanDerWaalsContact NZ-CD 3.32Å; K602-E642 IonicContact NZ-OE1 2.78Å; K602-E642 PolarHBondContact NZ-OE1 3.1Å; K602-E642 IonicContact NZ-OE2 3.38Å; K602-E642 PolarHBondContact NZ-OE2 3.06Å; K602-W653 HydrophobicContact CD-CH2 4.1Å; K602-W653 HydrophobicContact CD-CZ2 4.07Å; K602-W653 HydrophobicContact CG-CH2 4.01Å; K602-W653 HydrophobicContact CG-CZ2 4.5Å; K602-Q655 VanDerWaalsContact CA-OE1 3.32Å
603	Y	93.9	Very high	90.2	Very high	6 Å²	6	53.2 Å²	53.2	2%	0.024	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	138.2	164.1	-64.4	-53.7	0	0	0	111.1	F476 F594 H595 N596 A615 M616 M617 M626 Q655 V657	F476-Y603 HydrophobicContact CD2-CE1 4.14Å; F476-Y603 HydrophobicContact CE2-CD1 4.47Å; F476-Y603 AromaticContact CE2-CE1 3.83Å; F476-Y603 HydrophobicContact CE2-CE1 3.83Å; F476-Y603 PolarHBondContact O-OH 3.04Å; F594-Y603 WeakPolarHBondContact O-CE2 3.11Å; H595-Y603 PolarHBondContact O-OH 3.21Å; H595-Y603 VanDerWaalsContact O-OH 3.08Å; N596-Y603 HydrophobicContact CB-CD2 4.38Å; N596-Y603 HydrophobicContact CB-CE1 4.5Å; N596-Y603 HydrophobicContact CB-CE2 3.69Å; Y603-A615 HydrophobicContact CD1-CB 4.45Å; Y603-M616 CarbonylContact C-O 3.54Å; Y603-M616 WeakPolarHBondContact CA-O 3.37Å; Y603-M617 HydrophobicContact CD1-CB 4.16Å; Y603-M617 HydrophobicContact CE1-CB 4.44Å; Y603-M626 HydrophobicContact CD1-CE 4.21Å; Y603-M626 HydrophobicContact CE1-CE 3.39Å; Y603-Q655 HydrophobicContact CD2-CG 4.28Å; Y603-V657 HydrophobicContact CD2-CG2 3.93Å; Y603-V657 HydrophobicContact CE2-CG2 4.06Å; Y603-V657 HydrophobicContact CG-CG2 4.2Å
604	V	94.2	Very high	90.2	Very high	65 Å²	65	52.7 Å²	52.7	39%	0.394	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	153.4	166.9	-61.9	0	0	0	0	110.6	A615 M616	V604-A615 CarbonylContact O-C 3.59Å; V604-A615 WeakPolarHBondContact O-CA 3.31Å; V604-M616 HydrophobicContact CG2-CB 4.17Å; V604-M616 HydrophobicContact CG2-CE 4Å; V604-M616 PolarHBondContact N-O 2.91Å; V604-M616 PolarHBondContact O-N 3.41Å
605	P	94.7	Very high	90.2	Very high	98 Å²	98	52.7 Å²	52.7	64%	0.636	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61	140.9	175.7	-22.4	34.1	0	0	0	112.4	T638 I640	P605-T638 HydrophobicContact CB-CG2 4.22Å; P605-T638 HydrophobicContact CG-CG2 4.49Å; P605-I640 HydrophobicContact CG-CD1 4.11Å
606	F	94.3	Very high	90.2	Very high	42 Å²	42	54.2 Å²	54.2	18%	0.184	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	153.1	-178.2	172.1	-115.6	0	0	0	110.8	F608 G614 M616 K625	F606-F608 HydrophobicContact CE1-CB 3.91Å; F606-F608 HydrophobicContact CE1-CD2 4.34Å; F606-F608 HydrophobicContact CZ-CB 4.31Å; F606-F608 HydrophobicContact CZ-CD2 4.41Å; F606-G614 PolarHBondContact N-O 3.31Å; F606-G614 CarbonylContact O-C 3.57Å; F606-G614 WeakPolarHBondContact O-CA 3.45Å; F606-G614 PolarHBondContact O-N 3.49Å; F606-M616 HydrophobicContact CB-CB 3.9Å; F606-M616 HydrophobicContact CG-CB 4.24Å; F606-K625 HydrophobicContact CD1-CB 4.45Å; F606-K625 HydrophobicContact CE1-CB 4.19Å; F606-K625 HydrophobicContact CE1-CD 4.09Å; F606-K625 HydrophobicContact CE1-CG 4.42Å; F606-K625 HydrophobicContact CE2-CD 4.14Å; F606-K625 HydrophobicContact CZ-CD 3.81Å
607	R	94.2	Very high	90.3	Very high	133 Å²	133	54.1 Å²	54.1	50%	0.502	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.4	168.4	-87.2	-168.4	165.8	178.8	1.2	111.6	Y612 N613	R607-Y612 CarbonylContact C-O 3.57Å; R607-Y612 WeakPolarHBondContact CA-O 3.31Å; R607-N613 PolarHBondContact NE-OD1 2.99Å; R607-N613 PolarHBondContact NH2-OD1 3.34Å
608	F	94.8	Very high	90.5	Very high	13 Å²	13	56.8 Å²	56.8	6%	0.057	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	120.9	174.2	-175.8	-96.4	0	0	0	110.1	F606 D610 K611 Y612 F627 V681	F606-F608 HydrophobicContact CE1-CB 3.91Å; F606-F608 HydrophobicContact CE1-CD2 4.34Å; F606-F608 HydrophobicContact CZ-CB 4.31Å; F606-F608 HydrophobicContact CZ-CD2 4.41Å; F608-D610 PolarHBondContact O-N 3.39Å; F608-D610 VanDerWaalsContact O-N 3.17Å; F608-K611 PolarHBondContact O-N 2.63Å; F608-Y612 HydrophobicContact CD1-CD2 4.12Å; F608-Y612 PolarHBondContact N-O 3.29Å; F608-Y612 PolarHBondContact O-N 3.33Å; F608-F627 HydrophobicContact CB-CB 3.92Å; F608-F627 HydrophobicContact CB-CD1 3.86Å; F608-F627 HydrophobicContact CB-CD2 4.18Å; F608-F627 HydrophobicContact CB-CE1 4.39Å; F608-F627 HydrophobicContact CB-CG 3.73Å; F608-F627 HydrophobicContact CD1-CD1 4.27Å; F608-F627 HydrophobicContact CD1-CD2 4.05Å; F608-F627 HydrophobicContact CD1-CE1 4Å; F608-F627 AromaticContact CD1-CE2 3.77Å; F608-F627 HydrophobicContact CD1-CE2 3.77Å; F608-F627 HydrophobicContact CD1-CG 4.28Å; F608-F627 AromaticContact CD1-CZ 3.74Å; F608-F627 HydrophobicContact CD1-CZ 3.74Å; F608-F627 AromaticContact CD2-CD1 3.8Å; F608-F627 HydrophobicContact CD2-CD1 3.8Å; F608-F627 AromaticContact CD2-CE1 3.62Å; F608-F627 HydrophobicContact CD2-CE1 3.62Å; F608-F627 HydrophobicContact CD2-CG 4.47Å; F608-F627 HydrophobicContact CD2-CZ 4.17Å; F608-F627 HydrophobicContact CE1-CE1 4.16Å; F608-F627 HydrophobicContact CE1-CE2 4.05Å; F608-F627 AromaticContact CE1-CZ 3.71Å; F608-F627 HydrophobicContact CE1-CZ 3.71Å; F608-F627 HydrophobicContact CE2-CD1 4.45Å; F608-F627 AromaticContact CE2-CE1 3.82Å; F608-F627 HydrophobicContact CE2-CE1 3.82Å; F608-F627 HydrophobicContact CE2-CZ 4.17Å; F608-F627 AromaticContact CG-CD1 3.7Å; F608-F627 HydrophobicContact CG-CD1 3.7Å; F608-F627 HydrophobicContact CG-CD2 4.15Å; F608-F627 AromaticContact CG-CE1 3.73Å; F608-F627 HydrophobicContact CG-CE1 3.73Å; F608-F627 HydrophobicContact CG-CE2 4.18Å; F608-F627 AromaticContact CG-CG 3.91Å; F608-F627 HydrophobicContact CG-CG 3.91Å; F608-F627 AromaticContact CG-CZ 3.97Å; F608-F627 HydrophobicContact CG-CZ 3.97Å; F608-F627 HydrophobicContact CZ-CE1 4.09Å; F608-F627 AromaticContact CZ-CZ 3.95Å; F608-F627 HydrophobicContact CZ-CZ 3.95Å; F608-V681 HydrophobicContact CE2-CB 4.23Å; F608-V681 HydrophobicContact CE2-CG1 4.1Å; F608-V681 WeakPolarHBondContact CE2-O 3.15Å; F608-V681 HydrophobicContact CZ-CB 4.37Å; F608-V681 HydrophobicContact CZ-CG1 3.81Å
609	M	90	Very high	90.9	Very high	112 Å²	112	56.8 Å²	56.8	55%	0.552	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	32.2	-177.7	-56.2	177.7	72.4	0	0	113.9	K611 S682	M609-K611 WeakPolarHBondContact O-CB 3.48Å; M609-K611 PolarHBondContact O-N 3.1Å; M609-S682 VanDerWaalsContact SD-O 3.36Å
610	D	89.9	Confident	91.6	Very high	140 Å²	140	62.7 Å²	62.7	75%	0.749	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	12.1	-173.9	-56.2	-54.6	0	0	0	115.5	F608	F608-D610 PolarHBondContact O-N 3.39Å; F608-D610 VanDerWaalsContact O-N 3.17Å
611	K	92.8	Very high	91.6	Very high	128 Å²	128	63.4 Å²	63.4	56%	0.557	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.7	-44.8	-169	-174.8	-168.4	178.3	-167.7	0	113	F608 M609	F608-K611 PolarHBondContact O-N 2.63Å; M609-K611 WeakPolarHBondContact O-CB 3.48Å; M609-K611 PolarHBondContact O-N 3.1Å
612	Y	96.8	Very high	92	Very high	7 Å²	7	63 Å²	63	3%	0.027	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	129.7	-178.1	-59.5	-46.1	0	0	0	109.8	R607 F608 F627 F629 C684	R607-Y612 CarbonylContact C-O 3.57Å; R607-Y612 WeakPolarHBondContact CA-O 3.31Å; F608-Y612 HydrophobicContact CD1-CD2 4.12Å; F608-Y612 PolarHBondContact N-O 3.29Å; F608-Y612 PolarHBondContact O-N 3.33Å; Y612-F627 HydrophobicContact CD2-CD2 4.07Å; Y612-F627 HydrophobicContact CD2-CE2 4.14Å; Y612-F627 HydrophobicContact CG-CD2 4.44Å; Y612-F629 HydrophobicContact CD1-CB 3.7Å; Y612-F629 HydrophobicContact CD1-CD1 4.27Å; Y612-F629 HydrophobicContact CD1-CG 4.14Å; Y612-F629 AromaticContact CD2-CD1 3.98Å; Y612-F629 HydrophobicContact CD2-CD1 3.98Å; Y612-F629 HydrophobicContact CD2-CE1 4.49Å; Y612-F629 HydrophobicContact CE1-CB 3.56Å; Y612-F629 HydrophobicContact CE1-CD1 4.18Å; Y612-F629 HydrophobicContact CE1-CD2 4.37Å; Y612-F629 AromaticContact CE1-CG 3.77Å; Y612-F629 HydrophobicContact CE1-CG 3.77Å; Y612-F629 AromaticContact CE2-CD1 3.93Å; Y612-F629 HydrophobicContact CE2-CD1 3.93Å; Y612-F629 HydrophobicContact CE2-CE1 4.25Å; Y612-F629 HydrophobicContact CE2-CG 4.25Å; Y612-F629 HydrophobicContact CG-CB 4.36Å; Y612-F629 HydrophobicContact CG-CD1 4.16Å; Y612-F629 HydrophobicContact CG-CG 4.49Å; Y612-F629 AromaticContact CZ-CD1 4Å; Y612-F629 AromaticContact CZ-CG 3.82Å; Y612-C684 WeakPolarHBondContact CE2-O 3.26Å
613	N	97.8	Very high	92.3	Very high	13 Å²	13	62.3 Å²	62.3	7%	0.07	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	156.8	171.8	-57.4	-48.7	0	0	0	109.7	R607 F627 W628 S635 P636	R607-N613 PolarHBondContact NE-OD1 2.99Å; R607-N613 PolarHBondContact NH2-OD1 3.34Å; N613-F627 WeakPolarHBondContact O-CA 3.38Å; N613-F627 WeakPolarHBondContact O-CB 3.43Å; N613-W628 HydrophobicContact CB-CZ2 4.2Å; N613-W628 PolarHBondContact O-N 2.99Å; N613-S635 PolarHBondContact N-OG 3.47Å; N613-S635 PolarHBondContact ND2-O 2.79Å; N613-P636 VanDerWaalsContact CB-O 3.31Å; N613-P636 WeakPolarHBondContact CB-O 3.31Å; N613-P636 VanDerWaalsContact ND2-C 3.33Å; N613-P636 PolarHBondContact ND2-O 2.64Å
614	G	97.3	Very high	92.4	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.5	-176.2	-170.8	0	0	0	0	0	112.4	F606 M626 T638	F606-G614 PolarHBondContact N-O 3.31Å; F606-G614 CarbonylContact O-C 3.57Å; F606-G614 WeakPolarHBondContact O-CA 3.45Å; F606-G614 PolarHBondContact O-N 3.49Å; G614-M626 CarbonylContact C-O 3.51Å; G614-M626 WeakPolarHBondContact CA-O 3.09Å; G614-T638 PolarHBondContact N-OG1 3Å; G614-T638 WeakPolarHBondContact O-CG2 3.25Å; G614-T638 PolarHBondContact O-OG1 3.46Å
615	A	97.1	Very high	92.5	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	155.2	170	0	0	0	0	0	110.1	Y603 V604 M626 T638 I640 V657	Y603-A615 HydrophobicContact CD1-CB 4.45Å; V604-A615 CarbonylContact O-C 3.59Å; V604-A615 WeakPolarHBondContact O-CA 3.31Å; A615-M626 HydrophobicContact CB-CG 3.83Å; A615-M626 HydrophobicContact CB-SD 4.12Å; A615-M626 PolarHBondContact N-O 2.83Å; A615-M626 WeakPolarHBondContact O-CG 3.28Å; A615-M626 PolarHBondContact O-N 3.39Å; A615-M626 VanDerWaalsContact O-O 3.12Å; A615-T638 HydrophobicContact CB-CG2 4.48Å; A615-I640 HydrophobicContact CB-CD1 4.45Å; A615-V657 HydrophobicContact CB-CG2 3.74Å
616	M	95.4	Very high	92.7	Very high	32 Å²	32	57.2 Å²	57.2	16%	0.158	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	140.2	175.7	-179.9	175.8	82.7	0	0	109.1	Y603 V604 F606 H623 Y624 K625	Y603-M616 CarbonylContact C-O 3.54Å; Y603-M616 WeakPolarHBondContact CA-O 3.37Å; V604-M616 HydrophobicContact CG2-CB 4.17Å; V604-M616 HydrophobicContact CG2-CE 4Å; V604-M616 PolarHBondContact N-O 2.91Å; V604-M616 PolarHBondContact O-N 3.41Å; F606-M616 HydrophobicContact CB-CB 3.9Å; F606-M616 HydrophobicContact CG-CB 4.24Å; M616-H623 HydrophobicContact CG-CB 4.37Å; M616-H623 HydrophobicContact SD-CB 3.99Å; M616-H623 PolarHBondContact SD-CD2 3.19Å; M616-Y624 CarbonylContact C-O 3.49Å; M616-Y624 VanDerWaalsContact CA-O 3.31Å; M616-Y624 WeakPolarHBondContact CA-O 3.42Å; M616-Y624 WeakPolarHBondContact CG-O 3.37Å; M616-K625 HydrophobicContact CB-CG 4.38Å; M616-K625 HydrophobicContact CG-CG 3.94Å; M616-K625 HydrophobicContact SD-CD 4.39Å; M616-K625 VanDerWaalsContact SD-CE 3.59Å; M616-K625 HydrophobicContact SD-CG 4.28Å
617	M	94.8	Very high	92.9	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	128.8	167.5	178	-177.4	75.1	0	0	107.2	Q474 V475 F476 F601 Y603 V619 Y624	Q474-M617 HydrophobicContact CG-CE 3.92Å; V475-M617 WeakPolarHBondContact O-CE 3.42Å; F476-M617 HydrophobicContact CB-CE 4.03Å; F476-M617 HydrophobicContact CD2-CB 3.95Å; F476-M617 HydrophobicContact CD2-CE 3.65Å; F476-M617 HydrophobicContact CD2-SD 4.08Å; F476-M617 HydrophobicContact CE2-CB 3.8Å; F476-M617 HydrophobicContact CG-CE 4.2Å; F601-M617 HydrophobicContact CB-CG 3.78Å; F601-M617 HydrophobicContact CB-SD 3.87Å; F601-M617 WeakPolarHBondContact O-CG 3.25Å; Y603-M617 HydrophobicContact CD1-CB 4.16Å; Y603-M617 HydrophobicContact CE1-CB 4.44Å; M617-V619 HydrophobicContact CE-CG2 3.75Å; M617-V619 HydrophobicContact CG-CG2 4.11Å; M617-V619 HydrophobicContact SD-CG2 4.36Å; M617-Y624 HydrophobicContact CE-CD2 3.69Å; M617-Y624 HydrophobicContact CE-CE2 4.45Å; M617-Y624 HydrophobicContact CE-CG 3.85Å; M617-Y624 PolarHBondContact N-O 3.31Å; M617-Y624 PolarHBondContact O-N 2.82Å
618	D	90.4	Very high	93.1	Very high	67 Å²	67	49 Å²	49	36%	0.358	23%	0.233	S	C	.	.			trans	-103.2	137.2	176.2	-172.3	15.2	0	0	0	110.1	F601 D621	F601-D618 WeakPolarHBondContact CD1-O 3.44Å; D618-D621 PolarHBondContact OD1-N 3.19Å
619	V	88.1	Confident	93.2	Very high	10 Å²	10	48.4 Å²	48.4	6%	0.061	23%	0.231	C	C	.	.	S	Bend	trans	-141.3	78.3	-174.6	-174.8	0	0	0	0	107.6	Q474 F601 M617 A622 Y624	Q474-V619 HydrophobicContact CG-CG1 4.48Å; Q474-V619 HydrophobicContact CG-CG2 4.17Å; F601-V619 HydrophobicContact CB-CG2 4.13Å; F601-V619 HydrophobicContact CD1-CB 4.25Å; F601-V619 HydrophobicContact CD1-CG1 4.19Å; F601-V619 HydrophobicContact CD1-CG2 3.91Å; F601-V619 HydrophobicContact CD2-CG1 4.49Å; F601-V619 HydrophobicContact CD2-CG2 4.24Å; F601-V619 HydrophobicContact CE1-CB 4.33Å; F601-V619 HydrophobicContact CE1-CG1 3.84Å; F601-V619 HydrophobicContact CE1-CG2 4.41Å; F601-V619 HydrophobicContact CE2-CG1 4.17Å; F601-V619 HydrophobicContact CG-CG2 3.83Å; F601-V619 HydrophobicContact CZ-CG1 3.84Å; M617-V619 HydrophobicContact CE-CG2 3.75Å; M617-V619 HydrophobicContact CG-CG2 4.11Å; M617-V619 HydrophobicContact SD-CG2 4.36Å; V619-A622 HydrophobicContact CB-CB 4.49Å; V619-A622 WeakPolarHBondContact O-CB 3.42Å; V619-A622 PolarHBondContact O-N 2.98Å; V619-A622 VanDerWaalsContact O-N 3.12Å; V619-Y624 HydrophobicContact CB-CD2 4.42Å; V619-Y624 HydrophobicContact CB-CE2 4.14Å; V619-Y624 HydrophobicContact CG2-CD2 3.95Å; V619-Y624 HydrophobicContact CG2-CE2 4.02Å
620	W	81.8	Confident	93.6	Very high	213 Å²	213	44.2 Å²	44.2	81%	0.807	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	63.9	-179.7	-46.7	-51.7	0	0	0	112.3	F601 A622	F601-W620 HydrophobicContact CE1-CD2 4.48Å; F601-W620 HydrophobicContact CE1-CZ2 4.12Å; F601-W620 AromaticContact CZ-CH2 3.89Å; F601-W620 HydrophobicContact CZ-CH2 3.89Å; F601-W620 AromaticContact CZ-CZ2 3.68Å; F601-W620 HydrophobicContact CZ-CZ2 3.68Å; F601-W620 HydrophobicContact CZ-CZ3 4.39Å; W620-A622 PolarHBondContact O-N 3.47Å; W620-A622 VanDerWaalsContact O-N 3.08Å
621	D	76.4	Confident	93.8	Very high	142 Å²	142	38.9 Å²	38.9	76%	0.759	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.5	-8.8	-173.8	-55	-59.6	0	0	0	115.3	D618 H623	D618-D621 PolarHBondContact OD1-N 3.19Å; D621-H623 PolarHBondContact O-N 2.85Å; D621-H623 VanDerWaalsContact O-N 3.16Å; D621-H623 PolarHBondContact O-ND1 3.43Å; D621-H623 VanDerWaalsContact O-ND1 3.14Å
622	A	89.4	Confident	93.8	Very high	18 Å²	18	40.2 Å²	40.2	15%	0.149	19%	0.192	C	C	.	.			trans	-85.9	82.6	178.8	0	0	0	0	0	111.6	V619 W620 Y624 P677	V619-A622 HydrophobicContact CB-CB 4.49Å; V619-A622 WeakPolarHBondContact O-CB 3.42Å; V619-A622 PolarHBondContact O-N 2.98Å; V619-A622 VanDerWaalsContact O-N 3.12Å; W620-A622 PolarHBondContact O-N 3.47Å; W620-A622 VanDerWaalsContact O-N 3.08Å; A622-Y624 HydrophobicContact CB-CE2 4.24Å; A622-Y624 WeakPolarHBondContact O-CD2 3.45Å; A622-Y624 VanDerWaalsContact O-CE2 3.26Å; A622-Y624 WeakPolarHBondContact O-CE2 3.28Å; A622-Y624 PolarHBondContact O-N 3.33Å; A622-P677 HydrophobicContact CB-CB 4.3Å; A622-P677 HydrophobicContact CB-CG 4.12Å
623	H	94.3	Very high	93.6	Very high	69 Å²	69	41.1 Å²	41.1	32%	0.319	20%	0.203	S	C	.	.			trans	-68.9	114.7	-178.4	-54.4	99.3	0	0	0	114.6	M616 D621 P677	M616-H623 HydrophobicContact CG-CB 4.37Å; M616-H623 HydrophobicContact SD-CB 3.99Å; M616-H623 PolarHBondContact SD-CD2 3.19Å; D621-H623 PolarHBondContact O-N 2.85Å; D621-H623 VanDerWaalsContact O-N 3.16Å; D621-H623 PolarHBondContact O-ND1 3.43Å; D621-H623 VanDerWaalsContact O-ND1 3.14Å; H623-P677 WeakPolarHBondContact O-CA 3.3Å
624	Y	96.2	Very high	93.5	Very high	11 Å²	11	44.9 Å²	44.9	4%	0.043	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	132.4	167.8	-63.9	-93.8	0	0	0	109.8	P471 N472 Q474 F476 M616 M617 V619 A622 P677	P471-Y624 HydrophobicContact CB-CE1 4.2Å; P471-Y624 HydrophobicContact CG-CD1 3.69Å; P471-Y624 HydrophobicContact CG-CE1 3.69Å; N472-Y624 PolarHBondContact ND2-OH 2.97Å; Q474-Y624 HydrophobicContact CB-CE1 4.36Å; Q474-Y624 HydrophobicContact CB-CE2 4.21Å; Q474-Y624 HydrophobicContact CG-CD2 4.41Å; Q474-Y624 HydrophobicContact CG-CE2 3.84Å; F476-Y624 HydrophobicContact CG-CG 4.47Å; M616-Y624 CarbonylContact C-O 3.49Å; M616-Y624 VanDerWaalsContact CA-O 3.31Å; M616-Y624 WeakPolarHBondContact CA-O 3.42Å; M616-Y624 WeakPolarHBondContact CG-O 3.37Å; M617-Y624 HydrophobicContact CE-CD2 3.69Å; M617-Y624 HydrophobicContact CE-CE2 4.45Å; M617-Y624 HydrophobicContact CE-CG 3.85Å; M617-Y624 PolarHBondContact N-O 3.31Å; M617-Y624 PolarHBondContact O-N 2.82Å; V619-Y624 HydrophobicContact CB-CD2 4.42Å; V619-Y624 HydrophobicContact CB-CE2 4.14Å; V619-Y624 HydrophobicContact CG2-CD2 3.95Å; V619-Y624 HydrophobicContact CG2-CE2 4.02Å; A622-Y624 HydrophobicContact CB-CE2 4.24Å; A622-Y624 WeakPolarHBondContact O-CD2 3.45Å; A622-Y624 VanDerWaalsContact O-CE2 3.26Å; A622-Y624 WeakPolarHBondContact O-CE2 3.28Å; A622-Y624 PolarHBondContact O-N 3.33Å; Y624-P677 HydrophobicContact CE1-CG 4.31Å; Y624-P677 HydrophobicContact CE2-CG 4.36Å
625	K	97.1	Very high	93.5	Very high	50 Å²	50	45.6 Å²	45.6	22%	0.217	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138.7	-166.1	-61.8	-178.4	-171.5	-168.6	0	112.3	F606 M616 F674 H675	F606-K625 HydrophobicContact CD1-CB 4.45Å; F606-K625 HydrophobicContact CE1-CB 4.19Å; F606-K625 HydrophobicContact CE1-CD 4.09Å; F606-K625 HydrophobicContact CE1-CG 4.42Å; F606-K625 HydrophobicContact CE2-CD 4.14Å; F606-K625 HydrophobicContact CZ-CD 3.81Å; M616-K625 HydrophobicContact CB-CG 4.38Å; M616-K625 HydrophobicContact CG-CG 3.94Å; M616-K625 HydrophobicContact SD-CD 4.39Å; M616-K625 VanDerWaalsContact SD-CE 3.59Å; M616-K625 HydrophobicContact SD-CG 4.28Å; K625-F674 CarbonylContact O-C 3.17Å; K625-F674 WeakPolarHBondContact O-CA 3.31Å; K625-H675 PolarHBondContact N-O 2.93Å; K625-H675 PolarHBondContact O-N 3.37Å
626	M	97.8	Very high	93.5	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	146.3	171.3	69.4	175.1	79.2	0	0	111.3	F476 V477 F594 Y603 G614 A615 W628 V657 V673 F674	F476-M626 HydrophobicContact CE1-CB 4.38Å; F476-M626 HydrophobicContact CE1-CE 4.42Å; F476-M626 HydrophobicContact CE2-CE 3.84Å; F476-M626 HydrophobicContact CZ-CB 4.05Å; F476-M626 HydrophobicContact CZ-CE 3.73Å; F476-M626 HydrophobicContact CZ-CG 4.38Å; V477-M626 HydrophobicContact CG2-CE 4.47Å; F594-M626 HydrophobicContact CB-CE 4.43Å; F594-M626 HydrophobicContact CB-SD 4.36Å; F594-M626 HydrophobicContact CD2-SD 4.23Å; Y603-M626 HydrophobicContact CD1-CE 4.21Å; Y603-M626 HydrophobicContact CE1-CE 3.39Å; G614-M626 CarbonylContact C-O 3.51Å; G614-M626 WeakPolarHBondContact CA-O 3.09Å; A615-M626 HydrophobicContact CB-CG 3.83Å; A615-M626 HydrophobicContact CB-SD 4.12Å; A615-M626 PolarHBondContact N-O 2.83Å; A615-M626 WeakPolarHBondContact O-CG 3.28Å; A615-M626 PolarHBondContact O-N 3.39Å; A615-M626 VanDerWaalsContact O-O 3.12Å; M626-W628 HydrophobicContact CG-CZ3 4.14Å; M626-W628 HydrophobicContact SD-CZ3 4.18Å; M626-V657 HydrophobicContact CE-CG2 4.4Å; M626-V657 HydrophobicContact SD-CG2 3.91Å; M626-V673 CarbonylContact C-O 3.27Å; M626-V673 WeakPolarHBondContact CA-O 3.41Å; M626-F674 HydrophobicContact CB-CD1 3.54Å; M626-F674 HydrophobicContact CB-CE1 3.78Å; M626-F674 HydrophobicContact CB-CG 4.22Å; M626-F674 HydrophobicContact CE-CD1 4.01Å; M626-F674 HydrophobicContact CE-CE1 3.71Å; M626-F674 HydrophobicContact CG-CD1 4.48Å; M626-F674 HydrophobicContact CG-CE1 4.36Å; M626-F674 HydrophobicContact SD-CD1 4.29Å; M626-F674 HydrophobicContact SD-CE1 3.69Å
627	F	98.3	Very high	93.4	Very high	1 Å²	1	51.7 Å²	51.7	0%	0.004	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	158.6	172.2	65.1	-90	0	0	0	111.4	F608 Y612 N613 F629 Y672 V673 V681 C684	F608-F627 HydrophobicContact CB-CB 3.92Å; F608-F627 HydrophobicContact CB-CD1 3.86Å; F608-F627 HydrophobicContact CB-CD2 4.18Å; F608-F627 HydrophobicContact CB-CE1 4.39Å; F608-F627 HydrophobicContact CB-CG 3.73Å; F608-F627 HydrophobicContact CD1-CD1 4.27Å; F608-F627 HydrophobicContact CD1-CD2 4.05Å; F608-F627 HydrophobicContact CD1-CE1 4Å; F608-F627 AromaticContact CD1-CE2 3.77Å; F608-F627 HydrophobicContact CD1-CE2 3.77Å; F608-F627 HydrophobicContact CD1-CG 4.28Å; F608-F627 AromaticContact CD1-CZ 3.74Å; F608-F627 HydrophobicContact CD1-CZ 3.74Å; F608-F627 AromaticContact CD2-CD1 3.8Å; F608-F627 HydrophobicContact CD2-CD1 3.8Å; F608-F627 AromaticContact CD2-CE1 3.62Å; F608-F627 HydrophobicContact CD2-CE1 3.62Å; F608-F627 HydrophobicContact CD2-CG 4.47Å; F608-F627 HydrophobicContact CD2-CZ 4.17Å; F608-F627 HydrophobicContact CE1-CE1 4.16Å; F608-F627 HydrophobicContact CE1-CE2 4.05Å; F608-F627 AromaticContact CE1-CZ 3.71Å; F608-F627 HydrophobicContact CE1-CZ 3.71Å; F608-F627 HydrophobicContact CE2-CD1 4.45Å; F608-F627 AromaticContact CE2-CE1 3.82Å; F608-F627 HydrophobicContact CE2-CE1 3.82Å; F608-F627 HydrophobicContact CE2-CZ 4.17Å; F608-F627 AromaticContact CG-CD1 3.7Å; F608-F627 HydrophobicContact CG-CD1 3.7Å; F608-F627 HydrophobicContact CG-CD2 4.15Å; F608-F627 AromaticContact CG-CE1 3.73Å; F608-F627 HydrophobicContact CG-CE1 3.73Å; F608-F627 HydrophobicContact CG-CE2 4.18Å; F608-F627 AromaticContact CG-CG 3.91Å; F608-F627 HydrophobicContact CG-CG 3.91Å; F608-F627 AromaticContact CG-CZ 3.97Å; F608-F627 HydrophobicContact CG-CZ 3.97Å; F608-F627 HydrophobicContact CZ-CE1 4.09Å; F608-F627 AromaticContact CZ-CZ 3.95Å; F608-F627 HydrophobicContact CZ-CZ 3.95Å; Y612-F627 HydrophobicContact CD2-CD2 4.07Å; Y612-F627 HydrophobicContact CD2-CE2 4.14Å; Y612-F627 HydrophobicContact CG-CD2 4.44Å; N613-F627 WeakPolarHBondContact O-CA 3.38Å; N613-F627 WeakPolarHBondContact O-CB 3.43Å; F627-F629 HydrophobicContact CD2-CD1 4.35Å; F627-F629 HydrophobicContact CD2-CE1 4.41Å; F627-F629 HydrophobicContact CE2-CD1 4.39Å; F627-F629 HydrophobicContact CE2-CE1 4.03Å; F627-Y672 WeakPolarHBondContact O-CA 3.26Å; F627-V673 HydrophobicContact CD1-CB 4.24Å; F627-V673 HydrophobicContact CE1-CB 3.75Å; F627-V673 HydrophobicContact CE1-CG1 3.81Å; F627-V673 HydrophobicContact CE2-CB 4.04Å; F627-V673 HydrophobicContact CE2-CG2 4.04Å; F627-V673 HydrophobicContact CZ-CB 3.64Å; F627-V673 HydrophobicContact CZ-CG1 3.87Å; F627-V673 HydrophobicContact CZ-CG2 3.91Å; F627-V673 PolarHBondContact N-O 3.12Å; F627-V673 PolarHBondContact O-N 3.36Å; F627-V681 HydrophobicContact CE1-CG1 4.21Å; F627-V681 HydrophobicContact CZ-CG1 4.09Å; F627-C684 HydrophobicContact CE2-CB 3.86Å; F627-C684 HydrophobicContact CZ-CB 3.98Å
628	W	98.3	Very high	93.1	Very high	1 Å²	1	53.1 Å²	53.1	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	152.1	-170.5	52.1	74.1	0	0	0	114	N613 M626 S635 P636 T638 V657 V659 F661 A671 Y672	N613-W628 HydrophobicContact CB-CZ2 4.2Å; N613-W628 PolarHBondContact O-N 2.99Å; M626-W628 HydrophobicContact CG-CZ3 4.14Å; M626-W628 HydrophobicContact SD-CZ3 4.18Å; W628-S635 VanDerWaalsContact O-CB 3.31Å; W628-S635 WeakPolarHBondContact O-CB 3.27Å; W628-S635 PolarHBondContact O-OG 3.35Å; W628-P636 PolarHBondContact NE1-O 3.37Å; W628-T638 HydrophobicContact CH2-CG2 3.93Å; W628-T638 WeakPolarHBondContact CH2-OG1 3.28Å; W628-T638 HydrophobicContact CZ2-CG2 4.32Å; W628-T638 VanDerWaalsContact CZ2-OG1 3.26Å; W628-T638 WeakPolarHBondContact CZ2-OG1 3.39Å; W628-V657 HydrophobicContact CH2-CG1 3.5Å; W628-V657 HydrophobicContact CZ2-CG1 4.43Å; W628-V657 HydrophobicContact CZ3-CG1 3.73Å; W628-V659 HydrophobicContact CD2-CB 4.5Å; W628-V659 HydrophobicContact CD2-CG1 3.78Å; W628-V659 HydrophobicContact CD2-CG2 3.88Å; W628-V659 HydrophobicContact CE3-CG2 3.88Å; W628-V659 HydrophobicContact CG-CG1 3.77Å; W628-V659 HydrophobicContact CH2-CG2 3.97Å; W628-V659 HydrophobicContact CZ2-CG1 4.29Å; W628-V659 HydrophobicContact CZ2-CG2 3.96Å; W628-V659 HydrophobicContact CZ3-CG2 3.92Å; W628-F661 HydrophobicContact CB-CZ 4.27Å; W628-F661 AromaticContact CD1-CZ 3.8Å; W628-F661 HydrophobicContact CG-CZ 4.29Å; W628-A671 VanDerWaalsContact CA-O 3.28Å; W628-A671 WeakPolarHBondContact CA-O 3.29Å; W628-Y672 HydrophobicContact CB-CD1 3.54Å; W628-Y672 HydrophobicContact CB-CE1 3.98Å; W628-Y672 HydrophobicContact CB-CG 4.32Å; W628-Y672 HydrophobicContact CG-CD1 4.4Å
629	F	98	Very high	93.3	Very high	1 Å²	1	57.1 Å²	57.1	0%	0.004	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	154.1	173.4	57.6	-80.2	0	0	0	111.7	Y612 F627 H634 A671 C684 F686 L696	Y612-F629 HydrophobicContact CD1-CB 3.7Å; Y612-F629 HydrophobicContact CD1-CD1 4.27Å; Y612-F629 HydrophobicContact CD1-CG 4.14Å; Y612-F629 AromaticContact CD2-CD1 3.98Å; Y612-F629 HydrophobicContact CD2-CD1 3.98Å; Y612-F629 HydrophobicContact CD2-CE1 4.49Å; Y612-F629 HydrophobicContact CE1-CB 3.56Å; Y612-F629 HydrophobicContact CE1-CD1 4.18Å; Y612-F629 HydrophobicContact CE1-CD2 4.37Å; Y612-F629 AromaticContact CE1-CG 3.77Å; Y612-F629 HydrophobicContact CE1-CG 3.77Å; Y612-F629 AromaticContact CE2-CD1 3.93Å; Y612-F629 HydrophobicContact CE2-CD1 3.93Å; Y612-F629 HydrophobicContact CE2-CE1 4.25Å; Y612-F629 HydrophobicContact CE2-CG 4.25Å; Y612-F629 HydrophobicContact CG-CB 4.36Å; Y612-F629 HydrophobicContact CG-CD1 4.16Å; Y612-F629 HydrophobicContact CG-CG 4.49Å; Y612-F629 AromaticContact CZ-CD1 4Å; Y612-F629 AromaticContact CZ-CG 3.82Å; F627-F629 HydrophobicContact CD2-CD1 4.35Å; F627-F629 HydrophobicContact CD2-CE1 4.41Å; F627-F629 HydrophobicContact CE2-CD1 4.39Å; F627-F629 HydrophobicContact CE2-CE1 4.03Å; F629-H634 CarbonylContact C-O 3.56Å; F629-H634 WeakPolarHBondContact CA-O 3.44Å; F629-A671 HydrophobicContact CE1-CB 4.36Å; F629-A671 HydrophobicContact CE2-CB 4.32Å; F629-A671 HydrophobicContact CZ-CB 4.04Å; F629-A671 PolarHBondContact N-O 3.26Å; F629-A671 PolarHBondContact O-N 2.78Å; F629-C684 HydrophobicContact CE1-CB 3.92Å; F629-C684 HydrophobicContact CZ-CB 3.98Å; F629-C684 VanDerWaalsContact CZ-SG 3.52Å; F629-F686 AromaticContact CD2-CD2 3.91Å; F629-F686 HydrophobicContact CD2-CD2 3.91Å; F629-F686 AromaticContact CD2-CE2 3.91Å; F629-F686 HydrophobicContact CD2-CE2 3.91Å; F629-F686 AromaticContact CE2-CD2 3.5Å; F629-F686 HydrophobicContact CE2-CD2 3.5Å; F629-F686 VanDerWaalsContact CE2-CD2 3.5Å; F629-F686 AromaticContact CE2-CE2 3.63Å; F629-F686 HydrophobicContact CE2-CE2 3.63Å; F629-L696 HydrophobicContact CE2-CD2 4.49Å; F629-L696 HydrophobicContact CZ-CD2 4.25Å
630	D	96.9	Very high	93.6	Very high	24 Å²	24	58.8 Å²	58.8	13%	0.128	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	178.2	176	80.9	-4.7	0	0	0	113.1	Q632 G633 H634 F661 R669 V670 F686	D630-Q632 PolarHBondContact O-N 3.12Å; D630-Q632 VanDerWaalsContact O-N 3.11Å; D630-Q632 WeakPolarHBondContact OD1-CA 3.44Å; D630-Q632 WeakPolarHBondContact OD1-CB 3.35Å; D630-Q632 PolarHBondContact OD1-N 2.69Å; D630-G633 PolarHBondContact O-N 2.76Å; D630-G633 PolarHBondContact OD1-N 2.63Å; D630-H634 PolarHBondContact N-O 3.34Å; D630-H634 PolarHBondContact OD1-N 3.07Å; D630-F661 HydrophobicContact CB-CD1 3.91Å; D630-F661 HydrophobicContact CB-CE1 3.88Å; D630-R669 CarbonylContact C-O 3.56Å; D630-R669 WeakPolarHBondContact CA-O 3.46Å; D630-V670 HydrophobicContact CB-CG2 4.4Å; D630-F686 WeakPolarHBondContact O-CD2 3.27Å; D630-F686 WeakPolarHBondContact O-CE2 3.47Å
631	S	94.8	Very high	94.1	Very high	27 Å²	27	52.3 Å²	52.3	19%	0.189	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-15.1	177	67.4	0	0	0	0	116.3	R669 N689	S631-R669 PolarHBondContact N-O 3.04Å; S631-N689 VanDerWaalsContact CB-ND2 3.28Å; S631-N689 WeakPolarHBondContact CB-ND2 3.36Å; S631-N689 PolarHBondContact OG-ND2 3.44Å
632	Q	93.4	Very high	94.8	Very high	157 Å²	157	50.3 Å²	50.3	73%	0.734	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-6.5	173.4	-55.1	-58	-35.9	0	0	112.2	D630	D630-Q632 PolarHBondContact O-N 3.12Å; D630-Q632 VanDerWaalsContact O-N 3.11Å; D630-Q632 WeakPolarHBondContact OD1-CA 3.44Å; D630-Q632 WeakPolarHBondContact OD1-CB 3.35Å; D630-Q632 PolarHBondContact OD1-N 2.69Å
633	G	93.1	Very high	94.6	Very high	25 Å²	25	50.2 Å²	50.2	26%	0.258	25%	0.246	S	C	.	.			trans	82.4	12.5	-174.5	0	0	0	0	0	114.2	D630	D630-G633 PolarHBondContact O-N 2.76Å; D630-G633 PolarHBondContact OD1-N 2.63Å
634	H	95.3	Very high	94.1	Very high	92 Å²	92	53 Å²	53	43%	0.426	26%	0.259	S	S	.	.			trans	-70.5	141.3	168.6	174.1	74.3	0	0	0	109.9	F629 D630	F629-H634 CarbonylContact C-O 3.56Å; F629-H634 WeakPolarHBondContact CA-O 3.44Å; D630-H634 PolarHBondContact N-O 3.34Å; D630-H634 PolarHBondContact OD1-N 3.07Å
635	S	97.3	Very high	92.9	Very high	16 Å²	16	53 Å²	53	11%	0.112	26%	0.26	C	S	.	.			trans	-135.3	106.5	179.7	-174.7	0	0	0	0	108.5	N613 W628	N613-S635 PolarHBondContact N-OG 3.47Å; N613-S635 PolarHBondContact ND2-O 2.79Å; W628-S635 VanDerWaalsContact O-CB 3.31Å; W628-S635 WeakPolarHBondContact O-CB 3.27Å; W628-S635 PolarHBondContact O-OG 3.35Å
636	P	96.1	Very high	91.3	Very high	16 Å²	16	55 Å²	55	10%	0.104	29%	0.285	C	S	.	.			trans	-68	159.9	177.8	29.9	-37.6	0	0	0	111.1	N613 W628 V659 T660 F661	N613-P636 VanDerWaalsContact CB-O 3.31Å; N613-P636 WeakPolarHBondContact CB-O 3.31Å; N613-P636 VanDerWaalsContact ND2-C 3.33Å; N613-P636 PolarHBondContact ND2-O 2.64Å; W628-P636 PolarHBondContact NE1-O 3.37Å; P636-V659 HydrophobicContact CG-CG1 3.69Å; P636-T660 WeakPolarHBondContact CB-O 3.48Å; P636-T660 VanDerWaalsContact CG-O 3.25Å; P636-T660 WeakPolarHBondContact CG-O 3.45Å; P636-F661 VanDerWaalsContact CD-CZ 3.41Å; P636-F661 HydrophobicContact CG-CD1 4.04Å; P636-F661 HydrophobicContact CG-CD2 4.07Å; P636-F661 HydrophobicContact CG-CE1 3.81Å; P636-F661 HydrophobicContact CG-CE2 3.84Å; P636-F661 HydrophobicContact CG-CG 4.17Å; P636-F661 HydrophobicContact CG-CZ 3.71Å
637	E	93	Very high	89.5	Confident	144 Å²	144	55 Å²	55	67%	0.673	29%	0.286	S	S	*	.			trans	-68.5	147.2	-176.2	-63.4	-173.4	145	0	0	113.3	R639	E637-R639 PolarHBondContact O-N 2.7Å
638	T	90	Very high	87.6	Confident	29 Å²	29	58.4 Å²	58.4	18%	0.178	30%	0.302	C	S	.	.			trans	-68.5	112.1	177.9	-55.7	0	0	0	0	111.4	P605 G614 A615 W628 I640 V657	P605-T638 HydrophobicContact CB-CG2 4.22Å; P605-T638 HydrophobicContact CG-CG2 4.49Å; G614-T638 PolarHBondContact N-OG1 3Å; G614-T638 WeakPolarHBondContact O-CG2 3.25Å; G614-T638 PolarHBondContact O-OG1 3.46Å; A615-T638 HydrophobicContact CB-CG2 4.48Å; W628-T638 HydrophobicContact CH2-CG2 3.93Å; W628-T638 WeakPolarHBondContact CH2-OG1 3.28Å; W628-T638 HydrophobicContact CZ2-CG2 4.32Å; W628-T638 VanDerWaalsContact CZ2-OG1 3.26Å; W628-T638 WeakPolarHBondContact CZ2-OG1 3.39Å; T638-I640 HydrophobicContact CG2-CD1 3.82Å; T638-I640 HydrophobicContact CG2-CG1 3.78Å; T638-V657 HydrophobicContact CG2-CG1 4.42Å
639	R	94.3	Very high	85.5	Confident	151 Å²	151	63.8 Å²	63.8	57%	0.57	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.5	121.6	165.3	-58.9	176.5	175.7	-178.2	-3.8	108.4	E637 V657 N658	E637-R639 PolarHBondContact O-N 2.7Å; R639-V657 CarbonylContact O-C 3.5Å; R639-V657 WeakPolarHBondContact O-CA 3.32Å; R639-N658 HydrophobicContact CB-CB 4.44Å; R639-N658 PolarHBondContact O-N 3.01Å
640	I	94	Very high	83.7	Confident	46 Å²	46	70.2 Å²	70.2	24%	0.236	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.8	172.9	-65.6	162.9	0	0	0	106.7	P605 A615 T638 Q655 Y656 V657	P605-I640 HydrophobicContact CG-CD1 4.11Å; A615-I640 HydrophobicContact CB-CD1 4.45Å; T638-I640 HydrophobicContact CG2-CD1 3.82Å; T638-I640 HydrophobicContact CG2-CG1 3.78Å; I640-Q655 HydrophobicContact CG2-CG 3.5Å; I640-Y656 WeakPolarHBondContact CA-O 3.48Å; I640-V657 HydrophobicContact CG1-CG2 4.4Å
641	Q	93.1	Very high	82.3	Confident	76 Å²	76	76 Å²	76	36%	0.355	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	153.2	-175.2	-61.4	-174.7	-105.4	0	0	110	Q655 Y656 N658	Q641-Q655 CarbonylContact O-C 3.41Å; Q641-Q655 VanDerWaalsContact O-CA 3.27Å; Q641-Q655 WeakPolarHBondContact O-CA 3.32Å; Q641-Q655 WeakPolarHBondContact O-CG 3.37Å; Q641-Y656 HydrophobicContact CB-CD2 4.17Å; Q641-Y656 HydrophobicContact CB-CE1 4.25Å; Q641-Y656 HydrophobicContact CB-CE2 3.62Å; Q641-Y656 HydrophobicContact CG-CE2 4.23Å; Q641-Y656 PolarHBondContact N-O 3.1Å; Q641-Y656 PolarHBondContact O-N 2.9Å; Q641-N658 PolarHBondContact OE1-ND2 2.83Å
642	E	90	Very high	81.4	Confident	100 Å²	100	76.4 Å²	76.4	47%	0.467	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	138.2	176.9	-59.3	-170.6	-176.6	0	0	109.1	K602 W653 T654 Q655	K602-E642 VanDerWaalsContact NZ-CD 3.32Å; K602-E642 IonicContact NZ-OE1 2.78Å; K602-E642 PolarHBondContact NZ-OE1 3.1Å; K602-E642 IonicContact NZ-OE2 3.38Å; K602-E642 PolarHBondContact NZ-OE2 3.06Å; E642-W653 HydrophobicContact CB-CZ2 4.47Å; E642-W653 VanDerWaalsContact CD-CZ2 3.44Å; E642-W653 HydrophobicContact CG-CZ2 3.82Å; E642-W653 WeakPolarHBondContact OE2-CZ2 3.44Å; E642-W653 PolarHBondContact OE2-NE1 3.35Å; E642-T654 WeakPolarHBondContact CA-O 3.37Å; E642-Q655 HydrophobicContact CG-CB 4.23Å; E642-Q655 HydrophobicContact CG-CG 4.08Å; E642-Q655 PolarHBondContact OE1-NE2 3.48Å
643	A	85	Confident	80.8	Confident	17 Å²	17	71.3 Å²	71.3	14%	0.14	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.1	173.7	0	0	0	0	0	110.5	L489 W653 T654 Y656	L489-A643 HydrophobicContact CD2-CB 4.26Å; A643-W653 WeakPolarHBondContact O-CA 3.28Å; A643-T654 HydrophobicContact CB-CG2 4.08Å; A643-T654 PolarHBondContact N-O 2.77Å; A643-T654 PolarHBondContact O-N 2.86Å; A643-Y656 HydrophobicContact CB-CE1 3.92Å
644	E	83.5	Confident	80.6	Confident	126 Å²	126	70.1 Å²	70.1	59%	0.589	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	132.3	170.3	-165.2	-169.1	-132.1	0	0	109	K651 R652	E644-K651 HydrophobicContact CG-CB 4.41Å; E644-K651 HydrophobicContact CG-CD 3.91Å; E644-K651 WeakPolarHBondContact OE1-CD 3.37Å; E644-K651 IonicContact OE1-NZ 3.47Å; E644-K651 PolarHBondContact OE1-NZ 3.19Å; E644-K651 WeakPolarHBondContact OE2-CD 3.33Å; E644-K651 IonicContact OE2-NZ 3.48Å; E644-K651 PolarHBondContact OE2-NZ 2.67Å; E644-R652 CarbonylContact C-O 3.38Å; E644-R652 WeakPolarHBondContact CA-O 3.32Å
645	Q	72.3	Confident	80.5	Confident	11 Å²	11	66.1 Å²	66.1	5%	0.051	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	141.1	-174	-56.3	-178	34.7	0	0	110.7	A647 K651 R652	Q645-A647 PolarHBondContact O-N 3.36Å; Q645-K651 CarbonylContact O-C 3.57Å; Q645-K651 WeakPolarHBondContact O-CA 3.44Å; Q645-R652 PolarHBondContact N-O 3.34Å; Q645-R652 PolarHBondContact O-N 3.38Å
646	A	63.1	Low	80.4	Confident	92 Å²	92	66 Å²	66	76%	0.76	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	105.2	169.6	0	0	0	0	0	109.9
647	A	59.3	Low	80.4	Confident	4 Å²	4	65.3 Å²	65.3	3%	0.033	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.4	174.1	0	0	0	0	0	110	Y482 Q645 F649 K650 R652	Y482-A647 HydrophobicContact CD1-CB 3.72Å; Y482-A647 HydrophobicContact CG-CB 4.19Å; Q645-A647 PolarHBondContact O-N 3.36Å; A647-F649 PolarHBondContact O-N 2.93Å; A647-K650 PolarHBondContact N-O 3.25Å; A647-K650 CarbonylContact O-C 3.59Å; A647-K650 PolarHBondContact O-N 2.93Å; A647-R652 HydrophobicContact CB-CG 3.89Å
648	E	59.9	Low	80.5	Confident	71 Å²	71	59.4 Å²	59.4	33%	0.332	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	40.8	-91.3	172.8	-54.5	172.9	119.7	0	0	115.1	F329 Y482 R652	F329-E648 WeakPolarHBondContact CE1-OE1 3.21Å; F329-E648 VanDerWaalsContact CZ-OE1 3.22Å; F329-E648 WeakPolarHBondContact CZ-OE1 3.48Å; Y482-E648 HydrophobicContact CD1-CG 4.48Å; Y482-E648 HydrophobicContact CD2-CG 3.79Å; Y482-E648 HydrophobicContact CE1-CG 4.46Å; Y482-E648 HydrophobicContact CE2-CG 3.7Å; Y482-E648 HydrophobicContact CG-CG 4.23Å; E648-R652 IonicContact OE2-NH2 2.67Å; E648-R652 PolarHBondContact OE2-NH2 3.14Å
649	F	52.8	Low	80.8	Confident	115 Å²	115	58 Å²	58	50%	0.504	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123	3.6	-174	-48.4	-62.1	0	0	0	114.2	W109 A647	W109-F649 HydrophobicContact CB-CE1 3.47Å; W109-F649 VanDerWaalsContact CB-CE1 3.47Å; W109-F649 HydrophobicContact CB-CZ 3.68Å; W109-F649 AromaticContact CD1-CZ 3.51Å; W109-F649 HydrophobicContact CD2-CZ 4.33Å; W109-F649 AromaticContact CG-CE1 3.91Å; W109-F649 HydrophobicContact CG-CE1 3.91Å; W109-F649 AromaticContact CG-CZ 3.58Å; W109-F649 HydrophobicContact CG-CZ 3.58Å; A647-F649 PolarHBondContact O-N 2.93Å
650	K	61.2	Low	81	Confident	135 Å²	135	52.5 Å²	52.5	59%	0.587	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.3	137.1	-179.9	-69.1	-175.9	-178.5	176.2	0	110.6	A647 R652	A647-K650 PolarHBondContact N-O 3.25Å; A647-K650 CarbonylContact O-C 3.59Å; A647-K650 PolarHBondContact O-N 2.93Å; K650-R652 PolarHBondContact O-N 2.94Å
651	K	67.9	Low	81.1	Confident	145 Å²	145	50.4 Å²	50.4	63%	0.63	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-58	135.7	161.1	-62.1	-155.1	-170.6	-177.3	0	109.4	E644 Q645	E644-K651 HydrophobicContact CG-CB 4.41Å; E644-K651 HydrophobicContact CG-CD 3.91Å; E644-K651 WeakPolarHBondContact OE1-CD 3.37Å; E644-K651 IonicContact OE1-NZ 3.47Å; E644-K651 PolarHBondContact OE1-NZ 3.19Å; E644-K651 WeakPolarHBondContact OE2-CD 3.33Å; E644-K651 IonicContact OE2-NZ 3.48Å; E644-K651 PolarHBondContact OE2-NZ 2.67Å; Q645-K651 CarbonylContact O-C 3.57Å; Q645-K651 WeakPolarHBondContact O-CA 3.44Å
652	R	74.2	Confident	81.3	Confident	37 Å²	37	49.6 Å²	49.6	14%	0.14	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	152.8	171	-63.2	-176.2	-169.6	-169	12	108.8	S324 E644 Q645 A647 E648 K650	S324-R652 PolarHBondContact O-NH1 2.7Å; S324-R652 PolarHBondContact O-NH2 3.1Å; E644-R652 CarbonylContact C-O 3.38Å; E644-R652 WeakPolarHBondContact CA-O 3.32Å; Q645-R652 PolarHBondContact N-O 3.34Å; Q645-R652 PolarHBondContact O-N 3.38Å; A647-R652 HydrophobicContact CB-CG 3.89Å; E648-R652 IonicContact OE2-NH2 2.67Å; E648-R652 PolarHBondContact OE2-NH2 3.14Å; K650-R652 PolarHBondContact O-N 2.94Å
653	W	81.8	Confident	81.5	Confident	49 Å²	49	45.4 Å²	45.4	19%	0.186	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	139.7	179	171.9	103.7	0	0	0	107.6	L597 I599 K602 E642 A643 Q655	L597-W653 WeakPolarHBondContact CD2-O 3.05Å; I599-W653 HydrophobicContact CB-CE3 4.45Å; I599-W653 HydrophobicContact CB-CZ3 4.37Å; I599-W653 HydrophobicContact CG2-CD2 3.97Å; I599-W653 HydrophobicContact CG2-CE3 3.39Å; I599-W653 HydrophobicContact CG2-CZ3 3.75Å; K602-W653 HydrophobicContact CD-CH2 4.1Å; K602-W653 HydrophobicContact CD-CZ2 4.07Å; K602-W653 HydrophobicContact CG-CH2 4.01Å; K602-W653 HydrophobicContact CG-CZ2 4.5Å; E642-W653 HydrophobicContact CB-CZ2 4.47Å; E642-W653 VanDerWaalsContact CD-CZ2 3.44Å; E642-W653 HydrophobicContact CG-CZ2 3.82Å; E642-W653 WeakPolarHBondContact OE2-CZ2 3.44Å; E642-W653 PolarHBondContact OE2-NE1 3.35Å; A643-W653 WeakPolarHBondContact O-CA 3.28Å; W653-Q655 HydrophobicContact CH2-CB 3.27Å; W653-Q655 HydrophobicContact CH2-CG 4.29Å; W653-Q655 HydrophobicContact CZ2-CB 3.57Å; W653-Q655 HydrophobicContact CZ2-CG 4.41Å; W653-Q655 HydrophobicContact CZ3-CB 3.87Å
654	T	88.7	Confident	81.5	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	144.1	168.8	-178.3	0	0	0	0	108.9	A480 L489 H595 N596 E642 A643 Y656	A480-T654 HydrophobicContact CB-CG2 4.48Å; L489-T654 HydrophobicContact CD2-CG2 4.43Å; H595-T654 PolarHBondContact ND1-OG1 3.02Å; N596-T654 PolarHBondContact O-OG1 3.04Å; E642-T654 WeakPolarHBondContact CA-O 3.37Å; A643-T654 HydrophobicContact CB-CG2 4.08Å; A643-T654 PolarHBondContact N-O 2.77Å; A643-T654 PolarHBondContact O-N 2.86Å; T654-Y656 HydrophobicContact CG2-CD1 4.39Å
655	Q	93.2	Very high	81.8	Confident	9 Å²	9	46.7 Å²	46.7	4%	0.042	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	139.6	166.7	-178.9	-173.3	58.3	0	0	108.8	H595 N596 K602 Y603 I640 Q641 E642 W653	H595-Q655 CarbonylContact C-O 3.52Å; N596-Q655 PolarHBondContact N-O 3.48Å; N596-Q655 PolarHBondContact O-N 3.33Å; N596-Q655 VanDerWaalsContact O-N 3.07Å; K602-Q655 VanDerWaalsContact CA-OE1 3.32Å; Y603-Q655 HydrophobicContact CD2-CG 4.28Å; I640-Q655 HydrophobicContact CG2-CG 3.5Å; Q641-Q655 CarbonylContact O-C 3.41Å; Q641-Q655 VanDerWaalsContact O-CA 3.27Å; Q641-Q655 WeakPolarHBondContact O-CA 3.32Å; Q641-Q655 WeakPolarHBondContact O-CG 3.37Å; E642-Q655 HydrophobicContact CG-CB 4.23Å; E642-Q655 HydrophobicContact CG-CG 4.08Å; E642-Q655 PolarHBondContact OE1-NE2 3.48Å; W653-Q655 HydrophobicContact CH2-CB 3.27Å; W653-Q655 HydrophobicContact CH2-CG 4.29Å; W653-Q655 HydrophobicContact CZ2-CB 3.57Å; W653-Q655 HydrophobicContact CZ2-CG 4.41Å; W653-Q655 HydrophobicContact CZ3-CB 3.87Å
656	Y	94.3	Very high	82.8	Confident	14 Å²	14	48.5 Å²	48.5	6%	0.055	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	149.9	-179	54.9	-89.9	0	0	0	112.1	F593 F594 H595 I640 Q641 A643 T654 N658	F593-Y656 AromaticContact CD1-CD2 3.66Å; F593-Y656 HydrophobicContact CD1-CD2 3.66Å; F593-Y656 AromaticContact CD1-CE2 3.85Å; F593-Y656 HydrophobicContact CD1-CE2 3.85Å; F593-Y656 HydrophobicContact CE1-CD2 4.22Å; F593-Y656 AromaticContact CE1-CE2 3.95Å; F593-Y656 HydrophobicContact CE1-CE2 3.95Å; F594-Y656 CarbonylContact O-C 3.51Å; F594-Y656 WeakPolarHBondContact O-CA 3.21Å; F594-Y656 WeakPolarHBondContact O-CB 3.08Å; H595-Y656 AromaticContact CE1-CD1 3.41Å; H595-Y656 VanDerWaalsContact CE1-CD1 3.41Å; H595-Y656 WeakPolarHBondContact CE1-CD1 3.44Å; H595-Y656 AromaticContact CE1-CG 3.64Å; H595-Y656 AromaticContact ND1-CD1 3.84Å; I640-Y656 WeakPolarHBondContact CA-O 3.48Å; Q641-Y656 HydrophobicContact CB-CD2 4.17Å; Q641-Y656 HydrophobicContact CB-CE1 4.25Å; Q641-Y656 HydrophobicContact CB-CE2 3.62Å; Q641-Y656 HydrophobicContact CG-CE2 4.23Å; Q641-Y656 PolarHBondContact N-O 3.1Å; Q641-Y656 PolarHBondContact O-N 2.9Å; A643-Y656 HydrophobicContact CB-CE1 3.92Å; T654-Y656 HydrophobicContact CG2-CD1 4.39Å; Y656-N658 HydrophobicContact CD2-CB 4.28Å; Y656-N658 HydrophobicContact CE2-CB 4.3Å
657	V	96.1	Very high	84.4	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	134.3	164.3	-165.6	0	0	0	0	108.1	F593 F594 Y603 A615 M626 W628 T638 R639 I640 V659	F593-V657 WeakPolarHBondContact CA-O 3.33Å; F594-V657 HydrophobicContact CB-CB 4.5Å; F594-V657 HydrophobicContact CD2-CB 4.42Å; F594-V657 PolarHBondContact N-O 3.05Å; F594-V657 VanDerWaalsContact N-O 3.11Å; F594-V657 PolarHBondContact O-N 2.84Å; Y603-V657 HydrophobicContact CD2-CG2 3.93Å; Y603-V657 HydrophobicContact CE2-CG2 4.06Å; Y603-V657 HydrophobicContact CG-CG2 4.2Å; A615-V657 HydrophobicContact CB-CG2 3.74Å; M626-V657 HydrophobicContact CE-CG2 4.4Å; M626-V657 HydrophobicContact SD-CG2 3.91Å; W628-V657 HydrophobicContact CH2-CG1 3.5Å; W628-V657 HydrophobicContact CZ2-CG1 4.43Å; W628-V657 HydrophobicContact CZ3-CG1 3.73Å; T638-V657 HydrophobicContact CG2-CG1 4.42Å; R639-V657 CarbonylContact O-C 3.5Å; R639-V657 WeakPolarHBondContact O-CA 3.32Å; I640-V657 HydrophobicContact CG1-CG2 4.4Å; V657-V659 HydrophobicContact CG1-CG2 3.62Å
658	N	96.1	Very high	86.2	Confident	20 Å²	20	47.3 Å²	47.3	11%	0.107	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	112.4	175	177.7	1.7	0	0	0	109.1	S591 F593 R639 Q641 Y656	S591-N658 PolarHBondContact OG-OD1 2.99Å; F593-N658 HydrophobicContact CD1-CB 4.01Å; F593-N658 HydrophobicContact CE1-CB 3.78Å; R639-N658 HydrophobicContact CB-CB 4.44Å; R639-N658 PolarHBondContact O-N 3.01Å; Q641-N658 PolarHBondContact OE1-ND2 2.83Å; Y656-N658 HydrophobicContact CD2-CB 4.28Å; Y656-N658 HydrophobicContact CE2-CB 4.3Å
659	V	96.2	Very high	88	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	100.3	-170.5	-165.8	0	0	0	0	111.3	S591 A592 F594 W628 P636 V657 F661	S591-V659 WeakPolarHBondContact CA-O 3.47Å; S591-V659 PolarHBondContact OG-O 3.28Å; A592-V659 PolarHBondContact N-O 3.13Å; A592-V659 PolarHBondContact O-N 3.22Å; F594-V659 HydrophobicContact CE2-CG2 4.26Å; W628-V659 HydrophobicContact CD2-CB 4.5Å; W628-V659 HydrophobicContact CD2-CG1 3.78Å; W628-V659 HydrophobicContact CD2-CG2 3.88Å; W628-V659 HydrophobicContact CE3-CG2 3.88Å; W628-V659 HydrophobicContact CG-CG1 3.77Å; W628-V659 HydrophobicContact CH2-CG2 3.97Å; W628-V659 HydrophobicContact CZ2-CG1 4.29Å; W628-V659 HydrophobicContact CZ2-CG2 3.96Å; W628-V659 HydrophobicContact CZ3-CG2 3.92Å; P636-V659 HydrophobicContact CG-CG1 3.69Å; V657-V659 HydrophobicContact CG1-CG2 3.62Å; V659-F661 HydrophobicContact CB-CE2 4.36Å; V659-F661 HydrophobicContact CG1-CD2 4.1Å; V659-F661 HydrophobicContact CG1-CE2 3.4Å; V659-F661 VanDerWaalsContact CG1-CE2 3.4Å; V659-F661 HydrophobicContact CG1-CZ 4.11Å
660	T	97.5	Very high	90.2	Very high	35 Å²	35	39.1 Å²	39.1	22%	0.215	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	126	-178.3	-53.8	0	0	0	0	112.9	W507 L590 S591 P636	W507-T660 HydrophobicContact CH2-CG2 3.77Å; W507-T660 HydrophobicContact CZ2-CG2 4.05Å; L590-T660 CarbonylContact O-C 3.57Å; L590-T660 WeakPolarHBondContact O-CA 3.32Å; S591-T660 VanDerWaalsContact OG-CA 3.31Å; S591-T660 WeakPolarHBondContact OG-CA 3.42Å; S591-T660 PolarHBondContact OG-N 3.26Å; S591-T660 PolarHBondContact OG-OG1 2.79Å; P636-T660 WeakPolarHBondContact CB-O 3.48Å; P636-T660 VanDerWaalsContact CG-O 3.25Å; P636-T660 WeakPolarHBondContact CG-O 3.45Å
661	F	97.8	Very high	92	Very high	3 Å²	3	32.7 Å²	32.7	1%	0.013	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	140.7	173	-72.3	-96.5	0	0	0	112.1	S589 L590 W628 D630 P636 V659 V670 Y672	S589-F661 WeakPolarHBondContact CA-O 3.32Å; L590-F661 HydrophobicContact CD1-CB 4.07Å; L590-F661 HydrophobicContact CD1-CD2 4.26Å; L590-F661 HydrophobicContact CG-CB 4.22Å; L590-F661 PolarHBondContact N-O 2.92Å; L590-F661 PolarHBondContact O-N 3.07Å; W628-F661 HydrophobicContact CB-CZ 4.27Å; W628-F661 AromaticContact CD1-CZ 3.8Å; W628-F661 HydrophobicContact CG-CZ 4.29Å; D630-F661 HydrophobicContact CB-CD1 3.91Å; D630-F661 HydrophobicContact CB-CE1 3.88Å; P636-F661 VanDerWaalsContact CD-CZ 3.41Å; P636-F661 HydrophobicContact CG-CD1 4.04Å; P636-F661 HydrophobicContact CG-CD2 4.07Å; P636-F661 HydrophobicContact CG-CE1 3.81Å; P636-F661 HydrophobicContact CG-CE2 3.84Å; P636-F661 HydrophobicContact CG-CG 4.17Å; P636-F661 HydrophobicContact CG-CZ 3.71Å; V659-F661 HydrophobicContact CB-CE2 4.36Å; V659-F661 HydrophobicContact CG1-CD2 4.1Å; V659-F661 HydrophobicContact CG1-CE2 3.4Å; V659-F661 VanDerWaalsContact CG1-CE2 3.4Å; V659-F661 HydrophobicContact CG1-CZ 4.11Å; F661-V670 HydrophobicContact CB-CG2 4.42Å; F661-V670 HydrophobicContact CD1-CG2 4.04Å; F661-V670 HydrophobicContact CD2-CG1 4.09Å; F661-V670 HydrophobicContact CD2-CG2 3.99Å; F661-V670 HydrophobicContact CE1-CG1 3.93Å; F661-V670 HydrophobicContact CE1-CG2 4.23Å; F661-V670 HydrophobicContact CE2-CB 4.45Å; F661-V670 HydrophobicContact CE2-CG1 3.44Å; F661-V670 VanDerWaalsContact CE2-CG1 3.44Å; F661-V670 HydrophobicContact CE2-CG2 4.18Å; F661-V670 HydrophobicContact CG-CG2 3.9Å; F661-V670 HydrophobicContact CZ-CB 4.49Å; F661-V670 HydrophobicContact CZ-CG1 3.34Å; F661-V670 HydrophobicContact CZ-CG2 4.3Å; F661-Y672 HydrophobicContact CE2-CE1 4.2Å
662	P	96.6	Very high	93.4	Very high	59 Å²	59	25.8 Å²	25.8	38%	0.383	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	144.5	170.9	31.9	-34.1	0	0	0	111.7	T664	P662-T664 HydrophobicContact CB-CG2 4.49Å
663	M	94.8	Very high	94.6	Very high	11 Å²	11	24 Å²	24	5%	0.054	15%	0.15	C	C	.	.			trans	-104.3	80.9	176.1	-59.1	-171.5	76.7	0	0	110.1	F495 V579 K581 V587 K588 L590 G665 S668	F495-M663 HydrophobicContact CD1-SD 4.32Å; F495-M663 HydrophobicContact CE1-SD 4.48Å; V579-M663 HydrophobicContact CB-CE 3.95Å; V579-M663 HydrophobicContact CG1-CE 3.6Å; K581-M663 HydrophobicContact CD-CE 3.95Å; K581-M663 HydrophobicContact CD-SD 4.47Å; V587-M663 HydrophobicContact CG1-SD 3.58Å; V587-M663 VanDerWaalsContact CG1-SD 3.58Å; K588-M663 PolarHBondContact O-N 3.08Å; L590-M663 HydrophobicContact CB-SD 4.2Å; L590-M663 HydrophobicContact CD2-CE 4.31Å; L590-M663 HydrophobicContact CD2-CG 4.13Å; L590-M663 HydrophobicContact CD2-SD 4.16Å; L590-M663 HydrophobicContact CG-CG 4.41Å; M663-G665 PolarHBondContact O-N 2.92Å; M663-S668 WeakPolarHBondContact CG-OG 3.31Å
664	T	83.8	Confident	95.4	Very high	137 Å²	137	21.7 Å²	21.7	84%	0.84	14%	0.141	S	C	*	.			trans	-73.8	-5.7	-175.6	52.6	0	0	0	0	114.8	P662	P662-T664 HydrophobicContact CB-CG2 4.49Å
665	G	89.6	Confident	95.8	Very high	33 Å²	33	22.4 Å²	22.4	34%	0.34	14%	0.144	S	C	.	.	S	Bend	trans	-152.3	-166.9	-179	0	0	0	0	0	113.3	K581 M663 V667	K581-G665 VanDerWaalsContact CE-O 3.3Å; K581-G665 WeakPolarHBondContact CE-O 3.44Å; M663-G665 PolarHBondContact O-N 2.92Å; G665-V667 VanDerWaalsContact C-N 3.34Å
666	A	94.2	Very high	95.9	Very high	49 Å²	49	22 Å²	22	41%	0.405	14%	0.142	S	C	.	.	S	Bend	trans	-75.7	-20.5	179.9	0	0	0	0	0	113.9	E580 K581	E580-A666 WeakPolarHBondContact CA-O 3.47Å; E580-A666 WeakPolarHBondContact CG-O 3.22Å; K581-A666 PolarHBondContact N-O 2.89Å
667	V	96.9	Very high	95.9	Very high	61 Å²	61	23.2 Å²	23.2	37%	0.37	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.5	176.5	171.3	0	0	0	0	109.1	V579 E580 G665 R669	V579-V667 WeakPolarHBondContact O-CA 3.42Å; E580-V667 HydrophobicContact CB-CG2 4.36Å; E580-V667 HydrophobicContact CG-CG2 3.82Å; G665-V667 VanDerWaalsContact C-N 3.34Å; V667-R669 HydrophobicContact CG1-CG 4.05Å
668	S	97.2	Very high	95.7	Very high	11 Å²	11	29.5 Å²	29.5	8%	0.077	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	139.6	164.5	-69.3	0	0	0	0	109.6	V579 M663	V579-S668 PolarHBondContact N-O 3.41Å; V579-S668 PolarHBondContact O-N 2.92Å; M663-S668 WeakPolarHBondContact CG-OG 3.31Å
669	R	97.8	Very high	95.6	Very high	10 Å²	10	29.1 Å²	29.1	4%	0.038	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	127.1	178.9	-80.1	162.5	168.7	176.5	-1.1	109.5	D577 H578 D630 S631 V667 N689 S690 G693 V694 T711	D577-R669 VanDerWaalsContact O-CA 3.29Å; D577-R669 WeakPolarHBondContact O-CA 3.41Å; H578-R669 HydrophobicContact CB-CG 4.1Å; H578-R669 WeakPolarHBondContact ND1-CG 3.4Å; H578-R669 PolarHBondContact ND1-NE 3.41Å; D630-R669 CarbonylContact C-O 3.56Å; D630-R669 WeakPolarHBondContact CA-O 3.46Å; S631-R669 PolarHBondContact N-O 3.04Å; V667-R669 HydrophobicContact CG1-CG 4.05Å; R669-N689 WeakPolarHBondContact CD-OD1 3.24Å; R669-N689 VanDerWaalsContact NH1-C 3.32Å; R669-N689 PolarHBondContact NH1-O 2.73Å; R669-N689 PolarHBondContact NH1-OD1 2.93Å; R669-S690 VanDerWaalsContact CZ-O 3.3Å; R669-S690 PolarHBondContact NH1-O 2.92Å; R669-S690 PolarHBondContact NH2-O 3.01Å; R669-G693 PolarHBondContact NH1-O 3.18Å; R669-G693 PolarHBondContact NH2-O 3.38Å; R669-V694 HydrophobicContact CG-CG1 4.39Å; R669-T711 PolarHBondContact NH2-OG1 3.07Å
670	V	98.3	Very high	95.5	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.018	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	137	-175.8	-174.8	0	0	0	0	109.6	L576 D577 D630 F661 Y672	L576-V670 WeakPolarHBondContact CA-O 3.17Å; D577-V670 PolarHBondContact N-O 2.69Å; D577-V670 PolarHBondContact O-N 3.41Å; D630-V670 HydrophobicContact CB-CG2 4.4Å; F661-V670 HydrophobicContact CB-CG2 4.42Å; F661-V670 HydrophobicContact CD1-CG2 4.04Å; F661-V670 HydrophobicContact CD2-CG1 4.09Å; F661-V670 HydrophobicContact CD2-CG2 3.99Å; F661-V670 HydrophobicContact CE1-CG1 3.93Å; F661-V670 HydrophobicContact CE1-CG2 4.23Å; F661-V670 HydrophobicContact CE2-CB 4.45Å; F661-V670 HydrophobicContact CE2-CG1 3.44Å; F661-V670 VanDerWaalsContact CE2-CG1 3.44Å; F661-V670 HydrophobicContact CE2-CG2 4.18Å; F661-V670 HydrophobicContact CG-CG2 3.9Å; F661-V670 HydrophobicContact CZ-CB 4.49Å; F661-V670 HydrophobicContact CZ-CG1 3.34Å; F661-V670 HydrophobicContact CZ-CG2 4.3Å; V670-Y672 HydrophobicContact CB-CE2 3.9Å; V670-Y672 HydrophobicContact CG1-CD2 4.21Å; V670-Y672 HydrophobicContact CG1-CE1 3.93Å; V670-Y672 HydrophobicContact CG1-CE2 3.55Å; V670-Y672 WeakPolarHBondContact CG1-OH 3.49Å
671	A	98.6	Very high	95.5	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	136.1	173.1	0	0	0	0	0	110.6	L574 V575 W628 F629 F686 L696	L574-A671 HydrophobicContact CD1-CB 4.21Å; V575-A671 WeakPolarHBondContact O-CA 3.49Å; W628-A671 VanDerWaalsContact CA-O 3.28Å; W628-A671 WeakPolarHBondContact CA-O 3.29Å; F629-A671 HydrophobicContact CE1-CB 4.36Å; F629-A671 HydrophobicContact CE2-CB 4.32Å; F629-A671 HydrophobicContact CZ-CB 4.04Å; F629-A671 PolarHBondContact N-O 3.26Å; F629-A671 PolarHBondContact O-N 2.78Å; A671-F686 HydrophobicContact CB-CE2 3.89Å; A671-F686 HydrophobicContact CB-CZ 3.79Å; A671-L696 HydrophobicContact CB-CD2 3.57Å
672	Y	98.6	Very high	95.3	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	128.2	173.8	-46.5	-100.6	0	0	0	107.7	V575 D577 A592 F594 F627 W628 F661 V670	V575-Y672 HydrophobicContact CB-CD2 4.34Å; V575-Y672 HydrophobicContact CG1-CD2 4.34Å; V575-Y672 PolarHBondContact N-O 2.84Å; V575-Y672 PolarHBondContact O-N 2.78Å; D577-Y672 HydrophobicContact CB-CE2 4.29Å; D577-Y672 WeakPolarHBondContact OD2-CE2 3.42Å; A592-Y672 HydrophobicContact CB-CE1 4.06Å; A592-Y672 VanDerWaalsContact CB-OH 3.28Å; A592-Y672 WeakPolarHBondContact CB-OH 3.14Å; F594-Y672 AromaticContact CE2-CD1 3.42Å; F594-Y672 HydrophobicContact CE2-CD1 3.42Å; F594-Y672 VanDerWaalsContact CE2-CD1 3.42Å; F594-Y672 AromaticContact CE2-CE1 3.58Å; F594-Y672 HydrophobicContact CE2-CE1 3.58Å; F594-Y672 HydrophobicContact CE2-CG 4.22Å; F594-Y672 AromaticContact CZ-CD1 3.37Å; F594-Y672 HydrophobicContact CZ-CD1 3.37Å; F594-Y672 HydrophobicContact CZ-CD2 4.23Å; F594-Y672 AromaticContact CZ-CE1 3.53Å; F594-Y672 HydrophobicContact CZ-CE1 3.53Å; F594-Y672 HydrophobicContact CZ-CE2 4.35Å; F594-Y672 AromaticContact CZ-CG 3.77Å; F594-Y672 HydrophobicContact CZ-CG 3.77Å; F627-Y672 WeakPolarHBondContact O-CA 3.26Å; W628-Y672 HydrophobicContact CB-CD1 3.54Å; W628-Y672 HydrophobicContact CB-CE1 3.98Å; W628-Y672 HydrophobicContact CB-CG 4.32Å; W628-Y672 HydrophobicContact CG-CD1 4.4Å; F661-Y672 HydrophobicContact CE2-CE1 4.2Å; V670-Y672 HydrophobicContact CB-CE2 3.9Å; V670-Y672 HydrophobicContact CG1-CD2 4.21Å; V670-Y672 HydrophobicContact CG1-CE1 3.93Å; V670-Y672 HydrophobicContact CG1-CE2 3.55Å; V670-Y672 WeakPolarHBondContact CG1-OH 3.49Å
673	V	98.5	Very high	95.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	120.5	179.9	180	0	0	0	0	108.6	T572 L574 M626 F627 C684 L698	T572-V673 HydrophobicContact CG2-CG1 4.45Å; L574-V673 HydrophobicContact CD1-CG2 3.96Å; M626-V673 CarbonylContact C-O 3.27Å; M626-V673 WeakPolarHBondContact CA-O 3.41Å; F627-V673 HydrophobicContact CD1-CB 4.24Å; F627-V673 HydrophobicContact CE1-CB 3.75Å; F627-V673 HydrophobicContact CE1-CG1 3.81Å; F627-V673 HydrophobicContact CE2-CB 4.04Å; F627-V673 HydrophobicContact CE2-CG2 4.04Å; F627-V673 HydrophobicContact CZ-CB 3.64Å; F627-V673 HydrophobicContact CZ-CG1 3.87Å; F627-V673 HydrophobicContact CZ-CG2 3.91Å; F627-V673 PolarHBondContact N-O 3.12Å; F627-V673 PolarHBondContact O-N 3.36Å; V673-C684 HydrophobicContact CG2-CB 4.41Å; V673-L698 HydrophobicContact CG1-CD1 4.19Å; V673-L698 HydrophobicContact CG2-CD1 4.31Å
674	F	98.4	Very high	95.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	128.6	176.1	-56.1	-100.5	0	0	0	108.6	F467 F469 F476 V477 T572 L573 V575 F594 K625 M626	F467-F674 HydrophobicContact CE2-CE2 4.35Å; F467-F674 HydrophobicContact CE2-CZ 4.39Å; F467-F674 AromaticContact CZ-CE2 3.88Å; F467-F674 HydrophobicContact CZ-CE2 3.88Å; F467-F674 AromaticContact CZ-CZ 3.8Å; F467-F674 HydrophobicContact CZ-CZ 3.8Å; F469-F674 HydrophobicContact CD1-CB 3.82Å; F469-F674 HydrophobicContact CD1-CG 4.47Å; F469-F674 HydrophobicContact CE1-CB 3.69Å; F476-F674 HydrophobicContact CD1-CB 4.43Å; F476-F674 HydrophobicContact CD1-CD1 4.38Å; F476-F674 HydrophobicContact CE1-CB 4.04Å; F476-F674 AromaticContact CE1-CD1 3.91Å; F476-F674 HydrophobicContact CE1-CD1 3.91Å; F476-F674 HydrophobicContact CE1-CG 4.49Å; V477-F674 HydrophobicContact CG2-CD1 3.9Å; V477-F674 HydrophobicContact CG2-CE1 3.71Å; T572-F674 WeakPolarHBondContact CA-O 3.47Å; L573-F674 HydrophobicContact CB-CB 4.37Å; L573-F674 PolarHBondContact N-O 3.44Å; L573-F674 PolarHBondContact O-N 2.99Å; V575-F674 HydrophobicContact CB-CE2 4.24Å; V575-F674 HydrophobicContact CG2-CD2 3.99Å; V575-F674 HydrophobicContact CG2-CE2 3.62Å; F594-F674 HydrophobicContact CD1-CE1 4.31Å; F594-F674 AromaticContact CD1-CZ 3.77Å; F594-F674 HydrophobicContact CD1-CZ 3.77Å; F594-F674 HydrophobicContact CD2-CZ 4.29Å; F594-F674 AromaticContact CE1-CZ 3.83Å; F594-F674 HydrophobicContact CE1-CZ 3.83Å; F594-F674 HydrophobicContact CE2-CZ 4.34Å; F594-F674 HydrophobicContact CG-CE1 4.24Å; F594-F674 HydrophobicContact CG-CZ 4.03Å; F594-F674 HydrophobicContact CZ-CZ 4.12Å; K625-F674 CarbonylContact O-C 3.17Å; K625-F674 WeakPolarHBondContact O-CA 3.31Å; M626-F674 HydrophobicContact CB-CD1 3.54Å; M626-F674 HydrophobicContact CB-CE1 3.78Å; M626-F674 HydrophobicContact CB-CG 4.22Å; M626-F674 HydrophobicContact CE-CD1 4.01Å; M626-F674 HydrophobicContact CE-CE1 3.71Å; M626-F674 HydrophobicContact CG-CD1 4.48Å; M626-F674 HydrophobicContact CG-CE1 4.36Å; M626-F674 HydrophobicContact SD-CD1 4.29Å; M626-F674 HydrophobicContact SD-CE1 3.69Å
675	H	97.1	Very high	95.8	Very high	14 Å²	14	32.7 Å²	32.7	7%	0.065	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	149.3	176.5	75.7	89.4	0	0	0	114.1	Q571 T572 K625 V679 V681	Q571-H675 VanDerWaalsContact O-CA 3.23Å; Q571-H675 WeakPolarHBondContact O-CA 3.3Å; Q571-H675 WeakPolarHBondContact O-CB 3.35Å; T572-H675 HydrophobicContact CG2-CB 4.35Å; K625-H675 PolarHBondContact N-O 2.93Å; K625-H675 PolarHBondContact O-N 3.37Å; H675-V679 PolarHBondContact ND1-O 2.9Å; H675-V681 HydrophobicContact CB-CG2 3.88Å
676	G	95.6	Very high	96.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.167	C	C	.	.			trans	-81	174.9	176.4	0	0	0	0	0	113.7	Q571 Y678	Q571-G676 PolarHBondContact O-N 3.06Å; G676-Y678 PolarHBondContact O-N 3.2Å
677	P	94.4	Very high	96.2	Very high	40 Å²	40	33.3 Å²	33.3	26%	0.26	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-32.1	-174.1	26.3	-36.4	0	0	0	113.7	A622 H623 Y624 V679	A622-P677 HydrophobicContact CB-CB 4.3Å; A622-P677 HydrophobicContact CB-CG 4.12Å; H623-P677 WeakPolarHBondContact O-CA 3.3Å; Y624-P677 HydrophobicContact CE1-CG 4.31Å; Y624-P677 HydrophobicContact CE2-CG 4.36Å; P677-V679 VanDerWaalsContact C-N 3.28Å; P677-V679 PolarHBondContact O-N 2.92Å
678	Y	92.9	Very high	96.1	Very high	133 Å²	133	33.1 Å²	33.1	52%	0.522	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	16.3	-173.2	-48.7	-63.9	0	0	0	113.9	Q420 Q571 G676	Q420-Y678 HydrophobicContact CG-CD2 3.85Å; Q420-Y678 HydrophobicContact CG-CE2 3.83Å; Q420-Y678 VanDerWaalsContact NE2-CG 3.33Å; Q571-Y678 VanDerWaalsContact OE1-CD2 3.27Å; G676-Y678 PolarHBondContact O-N 3.2Å
679	V	93.3	Very high	95.9	Very high	11 Å²	11	35.3 Å²	35.3	7%	0.067	17%	0.172	C	C	.	.			trans	-132.2	126.4	-178.9	-178.9	0	0	0	0	111.4	Q571 T572 H675 P677 V681 I700	Q571-V679 HydrophobicContact CB-CG2 3.65Å; T572-V679 WeakPolarHBondContact OG1-CG1 3.13Å; H675-V679 PolarHBondContact ND1-O 2.9Å; P677-V679 VanDerWaalsContact C-N 3.28Å; P677-V679 PolarHBondContact O-N 2.92Å; V679-V681 PolarHBondContact O-N 2.7Å; V679-I700 HydrophobicContact CG1-CG2 3.34Å
680	K	94.4	Very high	95.7	Very high	128 Å²	128	36.6 Å²	36.6	56%	0.557	18%	0.183	S	C	*	.			trans	-91.1	96.7	177.5	-172.9	-179	-177.9	-178.2	0	110.4	N701	K680-N701 PolarHBondContact N-OD1 2.94Å; K680-N701 PolarHBondContact O-N 3.27Å
681	V	96.1	Very high	95.5	Very high	11 Å²	11	45 Å²	45	7%	0.067	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	131	161.6	-176.2	0	0	0	0	108.5	T572 F608 F627 H675 V679 L698 T699	T572-V681 HydrophobicContact CG2-CG2 4.33Å; F608-V681 HydrophobicContact CE2-CB 4.23Å; F608-V681 HydrophobicContact CE2-CG1 4.1Å; F608-V681 WeakPolarHBondContact CE2-O 3.15Å; F608-V681 HydrophobicContact CZ-CB 4.37Å; F608-V681 HydrophobicContact CZ-CG1 3.81Å; F627-V681 HydrophobicContact CE1-CG1 4.21Å; F627-V681 HydrophobicContact CZ-CG1 4.09Å; H675-V681 HydrophobicContact CB-CG2 3.88Å; V679-V681 PolarHBondContact O-N 2.7Å; V681-L698 HydrophobicContact CG1-CD1 3.64Å; V681-T699 WeakPolarHBondContact CA-O 3.46Å
682	S	94.4	Very high	95.3	Very high	40 Å²	40	46.8 Å²	46.8	28%	0.28	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	-1.2	-174.6	71.6	0	0	0	0	115.6	M609 T699	M609-S682 VanDerWaalsContact SD-O 3.36Å; S682-T699 PolarHBondContact N-O 3.37Å; S682-T699 WeakPolarHBondContact OG-CB 3.45Å; S682-T699 VanDerWaalsContact OG-CG2 3.31Å; S682-T699 WeakPolarHBondContact OG-CG2 3.24Å
683	S	94.1	Very high	95.1	Very high	36 Å²	36	46.8 Å²	46.8	25%	0.252	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	144.9	167.1	-158.5	0	0	0	0	109.1	L698 T699	S683-L698 CarbonylContact O-C 3.18Å; S683-L698 WeakPolarHBondContact O-CA 3.18Å; S683-T699 PolarHBondContact O-N 2.93Å
684	C	95.6	Very high	95.1	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.02	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	140.9	164.7	-162.1	0	0	0	0	109.5	Y612 F627 F629 V673 S697 L698	Y612-C684 WeakPolarHBondContact CE2-O 3.26Å; F627-C684 HydrophobicContact CE2-CB 3.86Å; F627-C684 HydrophobicContact CZ-CB 3.98Å; F629-C684 HydrophobicContact CE1-CB 3.92Å; F629-C684 HydrophobicContact CZ-CB 3.98Å; F629-C684 VanDerWaalsContact CZ-SG 3.52Å; V673-C684 HydrophobicContact CG2-CB 4.41Å; C684-S697 CarbonylContact C-O 3.59Å; C684-S697 VanDerWaalsContact CA-O 3.28Å; C684-S697 WeakPolarHBondContact CA-O 3.38Å; C684-L698 HydrophobicContact CB-CD1 3.61Å; C684-L698 VanDerWaalsContact SG-CD1 3.53Å
685	R	95.6	Very high	95	Very high	103 Å²	103	49.6 Å²	49.6	39%	0.389	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	153.1	175.1	61.4	-171.4	-178	104.1	8.9	112	I687 L696 S697 E704	R685-I687 HydrophobicContact CG-CG2 4Å; R685-I687 VanDerWaalsContact CZ-CG2 3.48Å; R685-L696 CarbonylContact O-C 3.59Å; R685-L696 VanDerWaalsContact O-CA 3.3Å; R685-L696 WeakPolarHBondContact O-CA 3.3Å; R685-S697 PolarHBondContact N-O 3.33Å; R685-S697 PolarHBondContact O-N 2.87Å; R685-E704 IonicContact NH2-OE1 2.7Å
686	F	96.9	Very high	95.1	Very high	27 Å²	27	49 Å²	49	12%	0.118	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	144.4	159.7	-70.1	-88.9	0	0	0	110.2	L576 F629 D630 A671 V694 L696	L576-F686 HydrophobicContact CD1-CE1 4Å; L576-F686 HydrophobicContact CD1-CZ 4.05Å; F629-F686 AromaticContact CD2-CD2 3.91Å; F629-F686 HydrophobicContact CD2-CD2 3.91Å; F629-F686 AromaticContact CD2-CE2 3.91Å; F629-F686 HydrophobicContact CD2-CE2 3.91Å; F629-F686 AromaticContact CE2-CD2 3.5Å; F629-F686 HydrophobicContact CE2-CD2 3.5Å; F629-F686 VanDerWaalsContact CE2-CD2 3.5Å; F629-F686 AromaticContact CE2-CE2 3.63Å; F629-F686 HydrophobicContact CE2-CE2 3.63Å; D630-F686 WeakPolarHBondContact O-CD2 3.27Å; D630-F686 WeakPolarHBondContact O-CE2 3.47Å; A671-F686 HydrophobicContact CB-CE2 3.89Å; A671-F686 HydrophobicContact CB-CZ 3.79Å; F686-V694 HydrophobicContact CD1-CB 4.22Å; F686-V694 HydrophobicContact CD1-CG1 4.33Å; F686-V694 HydrophobicContact CE1-CB 4.1Å; F686-V694 HydrophobicContact CE1-CG1 3.99Å; F686-V694 HydrophobicContact CE1-CG2 4.45Å; F686-L696 HydrophobicContact CD1-CD1 4.07Å; F686-L696 HydrophobicContact CD1-CD2 4.08Å; F686-L696 HydrophobicContact CD1-CG 3.8Å; F686-L696 HydrophobicContact CD2-CD2 4.31Å; F686-L696 HydrophobicContact CE1-CD1 3.83Å; F686-L696 HydrophobicContact CE1-CD2 3.92Å; F686-L696 HydrophobicContact CE1-CG 3.91Å; F686-L696 HydrophobicContact CE2-CD2 4.14Å; F686-L696 HydrophobicContact CG-CD2 4.28Å; F686-L696 HydrophobicContact CG-CG 4.26Å; F686-L696 HydrophobicContact CZ-CD2 3.94Å; F686-L696 HydrophobicContact CZ-CG 4.45Å
687	I	96.1	Very high	95.2	Very high	67 Å²	67	49 Å²	49	34%	0.344	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	-18.8	174	70.7	175.7	0	0	0	112.7	R685 R695 I706	R685-I687 HydrophobicContact CG-CG2 4Å; R685-I687 VanDerWaalsContact CZ-CG2 3.48Å; I687-R695 HydrophobicContact CD1-CB 4.14Å; I687-R695 HydrophobicContact CG1-CB 3.59Å; I687-R695 WeakPolarHBondContact CG1-O 3.45Å; I687-R695 PolarHBondContact N-O 3.27Å; I687-I706 HydrophobicContact CD1-CD1 4.12Å; I687-I706 HydrophobicContact CD1-CG1 4.09Å; I687-I706 HydrophobicContact CD1-CG2 3.92Å
688	D	94.3	Very high	95.3	Very high	57 Å²	57	47.2 Å²	47.2	31%	0.305	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	150	162.3	176.2	48.7	0	0	0	110.3	S690 V694 R695 Y722	D688-S690 PolarHBondContact OD1-N 3.16Å; D688-S690 WeakPolarHBondContact OD2-CB 3.33Å; D688-S690 PolarHBondContact OD2-N 3.37Å; D688-S690 PolarHBondContact OD2-OG 2.93Å; D688-V694 WeakPolarHBondContact O-CA 3.44Å; D688-R695 HydrophobicContact CB-CB 4.04Å; D688-R695 HydrophobicContact CB-CG 4.12Å; D688-R695 PolarHBondContact N-O 3.14Å; D688-R695 PolarHBondContact O-N 3.18Å; D688-Y722 WeakPolarHBondContact OD2-CE2 3.37Å; D688-Y722 VanDerWaalsContact OD2-CZ 3.27Å; D688-Y722 PolarHBondContact OD2-OH 3Å
689	N	93.4	Very high	95.5	Very high	58 Å²	58	42 Å²	42	31%	0.31	21%	0.207	S	C	.	.			trans	-142.6	44.9	-177.3	-169.8	32.1	0	0	0	110.8	S631 R669	S631-N689 VanDerWaalsContact CB-ND2 3.28Å; S631-N689 WeakPolarHBondContact CB-ND2 3.36Å; S631-N689 PolarHBondContact OG-ND2 3.44Å; R669-N689 WeakPolarHBondContact CD-OD1 3.24Å; R669-N689 VanDerWaalsContact NH1-C 3.32Å; R669-N689 PolarHBondContact NH1-O 2.73Å; R669-N689 PolarHBondContact NH1-OD1 2.93Å
690	S	93.7	Very high	95.6	Very high	37 Å²	37	42 Å²	42	26%	0.259	21%	0.206	S	C	.	.			trans	-73.3	171	-174.8	73.8	0	0	0	0	114.5	R669 D688 N692 G693 Y722	R669-S690 VanDerWaalsContact CZ-O 3.3Å; R669-S690 PolarHBondContact NH1-O 2.92Å; R669-S690 PolarHBondContact NH2-O 3.01Å; D688-S690 PolarHBondContact OD1-N 3.16Å; D688-S690 WeakPolarHBondContact OD2-CB 3.33Å; D688-S690 PolarHBondContact OD2-N 3.37Å; D688-S690 PolarHBondContact OD2-OG 2.93Å; S690-N692 PolarHBondContact O-N 3.34Å; S690-N692 PolarHBondContact OG-N 2.83Å; S690-G693 PolarHBondContact N-O 3.25Å; S690-G693 VanDerWaalsContact N-O 3.1Å; S690-G693 PolarHBondContact O-N 3.25Å; S690-G693 PolarHBondContact OG-N 2.75Å; S690-G693 PolarHBondContact OG-O 3.31Å; S690-Y722 WeakPolarHBondContact OG-CE2 3.27Å
691	K	93	Very high	95.6	Very high	178 Å²	178	40 Å²	40	77%	0.774	20%	0.202	S	C	*	.	S	Bend	trans	-53.2	-41.1	172.6	-178.2	-174.1	174.3	-171.2	0	112.5
692	N	94.2	Very high	95.3	Very high	39 Å²	39	45 Å²	45	21%	0.209	23%	0.228	C	C	.	.	S	Bend	trans	-82.5	-25.4	-170.7	-68	-7.2	0	0	0	112.9	S690 V710 T711 N712 A718 Y722	S690-N692 PolarHBondContact O-N 3.34Å; S690-N692 PolarHBondContact OG-N 2.83Å; N692-V710 VanDerWaalsContact O-CG1 3.29Å; N692-V710 WeakPolarHBondContact O-CG1 3.45Å; N692-T711 PolarHBondContact O-N 2.88Å; N692-N712 PolarHBondContact O-N 3.32Å; N692-A718 HydrophobicContact CB-CB 4.35Å; N692-Y722 HydrophobicContact CB-CD2 4.2Å; N692-Y722 HydrophobicContact CB-CG 4.14Å
693	G	95.6	Very high	95.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.8	-163.1	179	0	0	0	0	0	114	R669 S690 I709 Y722	R669-G693 PolarHBondContact NH1-O 3.18Å; R669-G693 PolarHBondContact NH2-O 3.38Å; S690-G693 PolarHBondContact N-O 3.25Å; S690-G693 VanDerWaalsContact N-O 3.1Å; S690-G693 PolarHBondContact O-N 3.25Å; S690-G693 PolarHBondContact OG-N 2.75Å; S690-G693 PolarHBondContact OG-O 3.31Å; G693-I709 CarbonylContact C-O 3.47Å; G693-I709 WeakPolarHBondContact CA-O 3.35Å; G693-Y722 PolarHBondContact O-OH 3.45Å
694	V	97.4	Very high	95.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	153.5	175.9	-61	0	0	0	0	111.4	L576 R669 F686 D688 L696 S708 I709 Y722	L576-V694 HydrophobicContact CD1-CG2 3.96Å; L576-V694 HydrophobicContact CD2-CG2 3.43Å; L576-V694 VanDerWaalsContact CD2-CG2 3.43Å; L576-V694 HydrophobicContact CG-CG2 4.35Å; R669-V694 HydrophobicContact CG-CG1 4.39Å; F686-V694 HydrophobicContact CD1-CB 4.22Å; F686-V694 HydrophobicContact CD1-CG1 4.33Å; F686-V694 HydrophobicContact CE1-CB 4.1Å; F686-V694 HydrophobicContact CE1-CG1 3.99Å; F686-V694 HydrophobicContact CE1-CG2 4.45Å; D688-V694 WeakPolarHBondContact O-CA 3.44Å; V694-L696 HydrophobicContact CB-CD1 4.27Å; V694-L696 HydrophobicContact CG2-CD1 3.71Å; V694-S708 WeakPolarHBondContact O-CA 3.28Å; V694-I709 HydrophobicContact CG2-CB 4.08Å; V694-I709 PolarHBondContact N-O 2.85Å; V694-I709 PolarHBondContact O-N 3.12Å; V694-Y722 VanDerWaalsContact CA-OH 3.23Å; V694-Y722 WeakPolarHBondContact CA-OH 3.3Å; V694-Y722 PolarHBondContact N-OH 2.85Å; V694-Y722 PolarHBondContact O-OH 3.02Å
695	R	97.8	Very high	95.4	Very high	60 Å²	60	48.2 Å²	48.2	23%	0.226	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133.2	161.1	-57.3	-167.9	-176.1	-171.5	-1.1	109.4	I687 D688 V707 S708 Y722	I687-R695 HydrophobicContact CD1-CB 4.14Å; I687-R695 HydrophobicContact CG1-CB 3.59Å; I687-R695 WeakPolarHBondContact CG1-O 3.45Å; I687-R695 PolarHBondContact N-O 3.27Å; D688-R695 HydrophobicContact CB-CB 4.04Å; D688-R695 HydrophobicContact CB-CG 4.12Å; D688-R695 PolarHBondContact N-O 3.14Å; D688-R695 PolarHBondContact O-N 3.18Å; R695-V707 CarbonylContact C-O 3.55Å; R695-V707 VanDerWaalsContact CA-O 3.32Å; R695-V707 WeakPolarHBondContact CA-O 3.37Å; R695-S708 WeakPolarHBondContact CD-OG 3.41Å; R695-S708 WeakPolarHBondContact CG-OG 3.33Å; R695-Y722 HydrophobicContact CG-CE1 4.48Å; R695-Y722 WeakPolarHBondContact CG-OH 3.3Å; R695-Y722 PolarHBondContact N-OH 3.23Å; R695-Y722 PolarHBondContact NH2-O 2.82Å
696	L	98.1	Very high	95.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	142.1	172.4	-66.4	97.4	0	0	0	110.5	L574 L576 F629 A671 R685 F686 V694 I706 V707	L574-L696 HydrophobicContact CD1-CD2 4.43Å; L576-L696 HydrophobicContact CD1-CD1 4.49Å; F629-L696 HydrophobicContact CE2-CD2 4.49Å; F629-L696 HydrophobicContact CZ-CD2 4.25Å; A671-L696 HydrophobicContact CB-CD2 3.57Å; R685-L696 CarbonylContact O-C 3.59Å; R685-L696 VanDerWaalsContact O-CA 3.3Å; R685-L696 WeakPolarHBondContact O-CA 3.3Å; F686-L696 HydrophobicContact CD1-CD1 4.07Å; F686-L696 HydrophobicContact CD1-CD2 4.08Å; F686-L696 HydrophobicContact CD1-CG 3.8Å; F686-L696 HydrophobicContact CD2-CD2 4.31Å; F686-L696 HydrophobicContact CE1-CD1 3.83Å; F686-L696 HydrophobicContact CE1-CD2 3.92Å; F686-L696 HydrophobicContact CE1-CG 3.91Å; F686-L696 HydrophobicContact CE2-CD2 4.14Å; F686-L696 HydrophobicContact CG-CD2 4.28Å; F686-L696 HydrophobicContact CG-CG 4.26Å; F686-L696 HydrophobicContact CZ-CD2 3.94Å; F686-L696 HydrophobicContact CZ-CG 4.45Å; V694-L696 HydrophobicContact CB-CD1 4.27Å; V694-L696 HydrophobicContact CG2-CD1 3.71Å; L696-I706 CarbonylContact O-C 3.6Å; L696-I706 VanDerWaalsContact O-CA 3.32Å; L696-I706 WeakPolarHBondContact O-CA 3.36Å; L696-V707 PolarHBondContact N-O 2.93Å; L696-V707 PolarHBondContact O-N 2.92Å
697	S	97.6	Very high	95.6	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.014	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	125.5	168.2	153.4	0	0	0	0	107.8	C684 R685 E704	C684-S697 CarbonylContact C-O 3.59Å; C684-S697 VanDerWaalsContact CA-O 3.28Å; C684-S697 WeakPolarHBondContact CA-O 3.38Å; R685-S697 PolarHBondContact N-O 3.33Å; R685-S697 PolarHBondContact O-N 2.87Å; S697-E704 WeakPolarHBondContact CB-OE1 3.41Å; S697-E704 PolarHBondContact OG-OE1 2.85Å
698	L	97	Very high	95.7	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	120.2	178.5	179.1	76.6	0	0	0	109.2	L568 T572 V673 V681 S683 C684 I700 K705	L568-L698 HydrophobicContact CD1-CD2 3.41Å; L568-L698 VanDerWaalsContact CD1-CD2 3.41Å; T572-L698 HydrophobicContact CG2-CD2 4.11Å; V673-L698 HydrophobicContact CG1-CD1 4.19Å; V673-L698 HydrophobicContact CG2-CD1 4.31Å; V681-L698 HydrophobicContact CG1-CD1 3.64Å; S683-L698 CarbonylContact O-C 3.18Å; S683-L698 WeakPolarHBondContact O-CA 3.18Å; C684-L698 HydrophobicContact CB-CD1 3.61Å; C684-L698 VanDerWaalsContact SG-CD1 3.53Å; L698-I700 HydrophobicContact CD2-CD1 3.77Å; L698-I700 HydrophobicContact CD2-CG1 3.81Å; L698-I700 HydrophobicContact CG-CD1 4.42Å; L698-I700 HydrophobicContact CG-CG1 3.91Å; L698-K705 PolarHBondContact N-O 2.87Å; L698-K705 PolarHBondContact O-N 3.22Å
699	T	96.9	Very high	95.9	Very high	25 Å²	25	37.9 Å²	37.9	15%	0.153	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	110.2	177.4	-50.4	0	0	0	0	110.1	V681 S682 S683 T703	V681-T699 WeakPolarHBondContact CA-O 3.46Å; S682-T699 PolarHBondContact N-O 3.37Å; S682-T699 WeakPolarHBondContact OG-CB 3.45Å; S682-T699 VanDerWaalsContact OG-CG2 3.31Å; S682-T699 WeakPolarHBondContact OG-CG2 3.24Å; S683-T699 PolarHBondContact O-N 2.93Å; T699-T703 WeakPolarHBondContact CA-O 3.3Å
700	I	95.4	Very high	96.1	Very high	10 Å²	10	35.1 Å²	35.1	5%	0.051	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	127.2	177.3	-49	-178.5	0	0	0	108.4	L568 T572 V679 L698 N702 T703 K705	L568-I700 HydrophobicContact CB-CD1 3.84Å; L568-I700 HydrophobicContact CD1-CD1 4.27Å; T572-I700 HydrophobicContact CG2-CD1 3.96Å; V679-I700 HydrophobicContact CG1-CG2 3.34Å; L698-I700 HydrophobicContact CD2-CD1 3.77Å; L698-I700 HydrophobicContact CD2-CG1 3.81Å; L698-I700 HydrophobicContact CG-CD1 4.42Å; L698-I700 HydrophobicContact CG-CG1 3.91Å; I700-N702 VanDerWaalsContact C-N 3.26Å; I700-N702 PolarHBondContact O-N 2.98Å; I700-T703 PolarHBondContact N-O 2.93Å; I700-T703 PolarHBondContact O-N 2.89Å; I700-T703 VanDerWaalsContact O-O 3.12Å; I700-K705 HydrophobicContact CD1-CD 4.25Å
701	N	93.7	Very high	96.2	Very high	87 Å²	87	33.7 Å²	33.7	47%	0.465	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	48.8	176.7	-66.8	-10.2	0	0	0	112.5	K680 T703	K680-N701 PolarHBondContact N-OD1 2.94Å; K680-N701 PolarHBondContact O-N 3.27Å; N701-T703 PolarHBondContact O-N 2.84Å
702	N	90.6	Very high	96.3	Very high	114 Å²	114	27.3 Å²	27.3	61%	0.61	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	19	-177.8	-48.4	-30.4	0	0	0	115.5	I700	I700-N702 VanDerWaalsContact C-N 3.26Å; I700-N702 PolarHBondContact O-N 2.98Å
703	T	93.9	Very high	96.3	Very high	26 Å²	26	26.3 Å²	26.3	16%	0.16	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123.3	171.9	-60.2	0	0	0	0	109.7	T699 I700 N701 K705 D733 R734	T699-T703 WeakPolarHBondContact CA-O 3.3Å; I700-T703 PolarHBondContact N-O 2.93Å; I700-T703 PolarHBondContact O-N 2.89Å; I700-T703 VanDerWaalsContact O-O 3.12Å; N701-T703 PolarHBondContact O-N 2.84Å; T703-K705 PolarHBondContact O-N 3.31Å; T703-D733 HydrophobicContact CG2-CB 4.17Å; T703-R734 HydrophobicContact CG2-CG 4.45Å; T703-R734 PolarHBondContact OG1-NH2 3.28Å
704	E	95.8	Very high	96.2	Very high	87 Å²	87	30.7 Å²	30.7	41%	0.407	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	120.6	172.8	-175.6	169.2	-159	0	0	109.1	R685 S697	R685-E704 IonicContact NH2-OE1 2.7Å; S697-E704 WeakPolarHBondContact CB-OE1 3.41Å; S697-E704 PolarHBondContact OG-OE1 2.85Å
705	K	96.4	Very high	96.1	Very high	34 Å²	34	32.6 Å²	32.6	15%	0.148	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	132	165.5	-63.2	-162.5	174.4	-169.5	0	108.4	L568 L698 I700 T703 V731 E732 D733	L568-K705 PolarHBondContact O-NZ 2.68Å; L698-K705 PolarHBondContact N-O 2.87Å; L698-K705 PolarHBondContact O-N 3.22Å; I700-K705 HydrophobicContact CD1-CD 4.25Å; T703-K705 PolarHBondContact O-N 3.31Å; K705-V731 HydrophobicContact CD-CG1 4.24Å; K705-E732 WeakPolarHBondContact CA-O 3.27Å; K705-D733 HydrophobicContact CG-CB 4.27Å
706	I	97.8	Very high	96	Very high	38 Å²	38	29.8 Å²	29.8	20%	0.195	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	124.2	168.6	-65.2	170.2	0	0	0	107.8	I687 L696 V731 E732	I687-I706 HydrophobicContact CD1-CD1 4.12Å; I687-I706 HydrophobicContact CD1-CG1 4.09Å; I687-I706 HydrophobicContact CD1-CG2 3.92Å; L696-I706 CarbonylContact O-C 3.6Å; L696-I706 VanDerWaalsContact O-CA 3.32Å; L696-I706 WeakPolarHBondContact O-CA 3.36Å; I706-V731 WeakPolarHBondContact O-CA 3.36Å; I706-E732 HydrophobicContact CB-CG 3.73Å; I706-E732 HydrophobicContact CG2-CG 4.17Å; I706-E732 PolarHBondContact N-O 2.84Å; I706-E732 PolarHBondContact O-N 2.78Å
707	V	98.2	Very high	95.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	112.9	179.8	-173.4	0	0	0	0	108.3	V566 L568 L574 R695 L696 I709 V731	V566-V707 HydrophobicContact CB-CG1 4.48Å; V566-V707 HydrophobicContact CG1-CG1 4.3Å; V566-V707 HydrophobicContact CG2-CG1 4Å; L568-V707 HydrophobicContact CD1-CG2 3.92Å; L568-V707 HydrophobicContact CD2-CG2 3.76Å; L574-V707 HydrophobicContact CD2-CB 4.11Å; L574-V707 HydrophobicContact CD2-CG1 3.97Å; L574-V707 HydrophobicContact CD2-CG2 4.18Å; R695-V707 CarbonylContact C-O 3.55Å; R695-V707 VanDerWaalsContact CA-O 3.32Å; R695-V707 WeakPolarHBondContact CA-O 3.37Å; L696-V707 PolarHBondContact N-O 2.93Å; L696-V707 PolarHBondContact O-N 2.92Å; V707-I709 HydrophobicContact CG1-CD1 4.12Å; V707-I709 HydrophobicContact CG1-CG1 4.05Å; V707-V731 HydrophobicContact CB-CG2 4.47Å; V707-V731 HydrophobicContact CG1-CG2 4.04Å; V707-V731 HydrophobicContact CG2-CG2 4.22Å
708	S	98.2	Very high	95.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	120.4	177.4	-53.7	0	0	0	0	109.6	V694 R695 C729 K730	V694-S708 WeakPolarHBondContact O-CA 3.28Å; R695-S708 WeakPolarHBondContact CD-OG 3.41Å; R695-S708 WeakPolarHBondContact CG-OG 3.33Å; S708-C729 VanDerWaalsContact O-CA 3.3Å; S708-C729 WeakPolarHBondContact O-CA 3.43Å; S708-C729 PolarHBondContact O-SG 2.81Å; S708-K730 PolarHBondContact N-O 3.49Å; S708-K730 PolarHBondContact O-N 2.7Å
709	I	98.3	Very high	95.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125.8	-179	-59.5	165.9	0	0	0	108.3	F543 F562 A564 V566 L576 G693 V694 V707	F543-I709 HydrophobicContact CE2-CG1 4.25Å; F543-I709 HydrophobicContact CE2-CG2 4.29Å; F543-I709 HydrophobicContact CZ-CG2 4.25Å; F562-I709 HydrophobicContact CE1-CG2 4.3Å; A564-I709 HydrophobicContact CB-CD1 4.46Å; A564-I709 HydrophobicContact CB-CG2 4Å; V566-I709 HydrophobicContact CG2-CD1 3.77Å; V566-I709 HydrophobicContact CG2-CG1 4.37Å; L576-I709 HydrophobicContact CB-CD1 4.07Å; L576-I709 HydrophobicContact CD2-CB 4.11Å; L576-I709 HydrophobicContact CD2-CD1 3.91Å; L576-I709 HydrophobicContact CD2-CG2 3.91Å; G693-I709 CarbonylContact C-O 3.47Å; G693-I709 WeakPolarHBondContact CA-O 3.35Å; V694-I709 HydrophobicContact CG2-CB 4.08Å; V694-I709 PolarHBondContact N-O 2.85Å; V694-I709 PolarHBondContact O-N 3.12Å; V707-I709 HydrophobicContact CG1-CD1 4.12Å; V707-I709 HydrophobicContact CG1-CG1 4.05Å
710	V	97.5	Very high	95.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	129.6	174.7	-175.4	0	0	0	0	108.6	N692 R719 Y722 I723 H728	N692-V710 VanDerWaalsContact O-CG1 3.29Å; N692-V710 WeakPolarHBondContact O-CG1 3.45Å; V710-R719 HydrophobicContact CB-CG 4.1Å; V710-R719 HydrophobicContact CG1-CG 3.68Å; V710-R719 HydrophobicContact CG2-CG 4Å; V710-Y722 HydrophobicContact CG2-CD1 3.97Å; V710-I723 HydrophobicContact CG2-CD1 4.01Å; V710-I723 HydrophobicContact CG2-CG1 4.16Å; V710-I723 HydrophobicContact CG2-CG2 3.88Å; V710-H728 PolarHBondContact N-O 3.43Å
711	T	96	Very high	95.2	Very high	7 Å²	7	34 Å²	34	4%	0.043	19%	0.186	C	C	.	.	S	Bend	trans	-106.5	-23	173.3	76.1	0	0	0	0	112.8	F562 L576 H578 R669 N692 Y713	F562-T711 HydrophobicContact CD1-CG2 4.48Å; F562-T711 HydrophobicContact CE1-CG2 4.41Å; L576-T711 HydrophobicContact CD2-CG2 4.32Å; H578-T711 HydrophobicContact CB-CG2 4Å; H578-T711 WeakPolarHBondContact CD2-CB 3.46Å; H578-T711 PolarHBondContact NE2-OG1 2.82Å; R669-T711 PolarHBondContact NH2-OG1 3.07Å; N692-T711 PolarHBondContact O-N 2.88Å; T711-Y713 WeakPolarHBondContact O-CD1 3.19Å; T711-Y713 PolarHBondContact O-N 3.38Å
712	N	95.2	Very high	95.2	Very high	43 Å²	43	30.6 Å²	30.6	23%	0.23	17%	0.167	C	C	.	.			trans	-78.5	57.7	163.9	-172.9	16.4	0	0	0	109.8	N692 K714 D715 A718	N692-N712 PolarHBondContact O-N 3.32Å; N712-K714 VanDerWaalsContact C-N 3.3Å; N712-K714 PolarHBondContact O-N 2.93Å; N712-D715 PolarHBondContact O-N 3.47Å; N712-A718 HydrophobicContact CB-CB 4.33Å; N712-A718 VanDerWaalsContact ND2-CB 3.33Å; N712-A718 WeakPolarHBondContact ND2-CB 3.26Å
713	Y	94.7	Very high	95.4	Very high	19 Å²	19	25.4 Å²	25.4	8%	0.075	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-34.6	-170.9	61.7	-93.5	0	0	0	112.2	I533 E547 F562 T711 D715 R719	I533-Y713 HydrophobicContact CD1-CD2 4.19Å; I533-Y713 HydrophobicContact CD1-CE2 3.58Å; I533-Y713 HydrophobicContact CG1-CD2 4.16Å; I533-Y713 HydrophobicContact CG1-CE2 3.93Å; I533-Y713 HydrophobicContact CG2-CD2 3.6Å; I533-Y713 HydrophobicContact CG2-CE2 4.16Å; I533-Y713 HydrophobicContact CG2-CG 4.11Å; E547-Y713 WeakPolarHBondContact CB-OH 3.25Å; E547-Y713 VanDerWaalsContact CG-OH 3.27Å; E547-Y713 WeakPolarHBondContact CG-OH 3.2Å; E547-Y713 PolarHBondContact OE2-OH 2.99Å; F562-Y713 AromaticContact CD2-CD1 3.58Å; F562-Y713 HydrophobicContact CD2-CD1 3.58Å; F562-Y713 AromaticContact CD2-CE1 3.64Å; F562-Y713 HydrophobicContact CD2-CE1 3.64Å; F562-Y713 AromaticContact CE2-CD1 3.62Å; F562-Y713 HydrophobicContact CE2-CD1 3.62Å; F562-Y713 HydrophobicContact CE2-CE1 4.12Å; F562-Y713 HydrophobicContact CE2-CG 4.24Å; F562-Y713 HydrophobicContact CG-CE1 4.49Å; T711-Y713 WeakPolarHBondContact O-CD1 3.19Å; T711-Y713 PolarHBondContact O-N 3.38Å; Y713-D715 PolarHBondContact O-N 2.99Å; Y713-D715 VanDerWaalsContact O-N 3.1Å; Y713-R719 PolarHBondContact O-NE 3.33Å; Y713-R719 PolarHBondContact O-NH2 3.38Å
714	K	94.6	Very high	95.2	Very high	91 Å²	91	25.1 Å²	25.1	40%	0.396	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-16.6	178.3	-72.7	-167.3	168.1	-152.6	0	115.1	N712 Y990	N712-K714 VanDerWaalsContact C-N 3.3Å; N712-K714 PolarHBondContact O-N 2.93Å; K714-Y990 HydrophobicContact CB-CE1 3.99Å; K714-Y990 HydrophobicContact CD-CE1 4.01Å; K714-Y990 HydrophobicContact CG-CE1 4.21Å; K714-Y990 PolarHBondContact NZ-OH 3.12Å
715	D	95.4	Very high	95	Very high	41 Å²	41	21 Å²	21	22%	0.219	12%	0.122	C	C	.	.			trans	-109.4	104	-178.9	-179.4	-7.6	0	0	0	110.7	N712 Y713 G717 A718 R719 N992	N712-D715 PolarHBondContact O-N 3.47Å; Y713-D715 PolarHBondContact O-N 2.99Å; Y713-D715 VanDerWaalsContact O-N 3.1Å; D715-G717 VanDerWaalsContact C-N 3.26Å; D715-G717 PolarHBondContact O-N 3.29Å; D715-G717 WeakPolarHBondContact OD1-CA 3.33Å; D715-G717 PolarHBondContact OD1-N 3.09Å; D715-A718 HydrophobicContact CB-CB 3.69Å; D715-A718 VanDerWaalsContact CG-CB 3.47Å; D715-A718 WeakPolarHBondContact O-CB 3.36Å; D715-A718 PolarHBondContact O-N 2.86Å; D715-A718 VanDerWaalsContact O-N 3.16Å; D715-A718 PolarHBondContact OD1-N 3.32Å; D715-A718 WeakPolarHBondContact OD2-CB 3.32Å; D715-R719 PolarHBondContact O-N 2.76Å; D715-N992 PolarHBondContact OD1-ND2 3.36Å; D715-N992 PolarHBondContact OD2-ND2 3.1Å
716	I	94.9	Very high	94.8	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-65.5	-27.5	178.3	-167.7	169.8	0	0	0	112.9	L720 L847 D872 N992 Q994 V1139	I716-L720 PolarHBondContact O-N 3.36Å; I716-L847 HydrophobicContact CD1-CD2 3.95Å; I716-L847 HydrophobicContact CG1-CD1 4.02Å; I716-L847 HydrophobicContact CG1-CD2 3.76Å; I716-L847 HydrophobicContact CG2-CD1 4.18Å; I716-D872 HydrophobicContact CD1-CB 4.14Å; I716-N992 HydrophobicContact CG2-CB 4.37Å; I716-N992 WeakPolarHBondContact CG2-O 3.4Å; I716-Q994 HydrophobicContact CD1-CG 4.29Å; I716-Q994 HydrophobicContact CG2-CG 4.4Å; I716-V1139 HydrophobicContact CD1-CG1 4.07Å; I716-V1139 HydrophobicContact CD1-CG2 3.91Å
717	G	93.6	Very high	94.6	Very high	20 Å²	20	17.7 Å²	17.7	21%	0.206	11%	0.108	C	C	.	.	H	α-helix	trans	-69.8	-40	171.3	0	0	0	0	0	111.9	D715 L720 A721	D715-G717 VanDerWaalsContact C-N 3.26Å; D715-G717 PolarHBondContact O-N 3.29Å; D715-G717 WeakPolarHBondContact OD1-CA 3.33Å; D715-G717 PolarHBondContact OD1-N 3.09Å; G717-L720 PolarHBondContact O-N 2.87Å; G717-A721 WeakPolarHBondContact O-CB 3.34Å; G717-A721 PolarHBondContact O-N 2.85Å
718	A	93.8	Very high	94.5	Very high	4 Å²	4	18.2 Å²	18.2	3%	0.033	11%	0.11	C	C	.	.	H	α-helix	trans	-65.6	-39.5	172.8	0	0	0	0	0	112.5	N692 N712 D715 A721 Y722	N692-A718 HydrophobicContact CB-CB 4.35Å; N712-A718 HydrophobicContact CB-CB 4.33Å; N712-A718 VanDerWaalsContact ND2-CB 3.33Å; N712-A718 WeakPolarHBondContact ND2-CB 3.26Å; D715-A718 HydrophobicContact CB-CB 3.69Å; D715-A718 VanDerWaalsContact CG-CB 3.47Å; D715-A718 WeakPolarHBondContact O-CB 3.36Å; D715-A718 PolarHBondContact O-N 2.86Å; D715-A718 VanDerWaalsContact O-N 3.16Å; D715-A718 PolarHBondContact OD1-N 3.32Å; D715-A718 WeakPolarHBondContact OD2-CB 3.32Å; A718-A721 PolarHBondContact O-N 2.98Å; A718-Y722 WeakPolarHBondContact O-CB 3.48Å; A718-Y722 PolarHBondContact O-N 3.41Å
719	R	94.7	Very high	94.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-56.8	-55	171.4	-80.8	-178.5	-93.1	159.5	-14.7	111.6	V710 Y713 D715 A721 Y722 I723 F725 G726 G727 D872	V710-R719 HydrophobicContact CB-CG 4.1Å; V710-R719 HydrophobicContact CG1-CG 3.68Å; V710-R719 HydrophobicContact CG2-CG 4Å; Y713-R719 PolarHBondContact O-NE 3.33Å; Y713-R719 PolarHBondContact O-NH2 3.38Å; D715-R719 PolarHBondContact O-N 2.76Å; R719-A721 VanDerWaalsContact C-N 3.33Å; R719-A721 PolarHBondContact O-N 3.2Å; R719-Y722 PolarHBondContact O-N 2.93Å; R719-Y722 VanDerWaalsContact O-N 3.11Å; R719-I723 PolarHBondContact O-N 3.36Å; R719-F725 CarbonylContact C-O 3.03Å; R719-G726 WeakPolarHBondContact CD-O 3.37Å; R719-G726 PolarHBondContact NH1-O 3.03Å; R719-G727 WeakPolarHBondContact CB-O 3.44Å; R719-G727 WeakPolarHBondContact CD-O 3.37Å; R719-G727 WeakPolarHBondContact CG-O 3.34Å; R719-D872 IonicContact CZ-OD1 2.77Å; R719-D872 IonicContact CZ-OD2 3.85Å; R719-D872 IonicContact NH1-OD1 2.72Å; R719-D872 IonicContact NH1-OD2 3.45Å; R719-D872 PolarHBondContact NH1-OD2 3.49Å; R719-D872 IonicContact NH2-OD1 2.67Å; R719-D872 PolarHBondContact NH2-OD1 2.89Å; R719-D872 IonicContact NH2-OD2 3.08Å; R719-D872 PolarHBondContact NH2-OD2 3.23Å
720	L	93.4	Very high	94.3	Very high	37 Å²	37	18.5 Å²	18.5	19%	0.194	11%	0.111	C	C	.	.	H	α-helix	trans	-53.5	-50.1	176.9	179.4	73.8	0	0	0	111.5	I716 G717 Y722 G724 F725 L845 L847	I716-L720 PolarHBondContact O-N 3.36Å; G717-L720 PolarHBondContact O-N 2.87Å; L720-Y722 VanDerWaalsContact C-N 3.26Å; L720-Y722 PolarHBondContact O-N 3.44Å; L720-G724 VanDerWaalsContact O-CA 3.23Å; L720-G724 WeakPolarHBondContact O-CA 3.41Å; L720-G724 PolarHBondContact O-N 3.24Å; L720-F725 WeakPolarHBondContact CA-O 3.18Å; L720-F725 PolarHBondContact N-O 3.25Å; L720-L845 WeakPolarHBondContact CD1-O 3.1Å; L720-L847 HydrophobicContact CB-CD1 4.38Å; L720-L847 HydrophobicContact CB-CD2 4.33Å; L720-L847 HydrophobicContact CB-CG 4.46Å; L720-L847 HydrophobicContact CD1-CD2 4.39Å; L720-L847 HydrophobicContact CD2-CD1 4.24Å; L720-L847 HydrophobicContact CD2-CG 4.08Å
721	A	92.6	Very high	94.3	Very high	64 Å²	64	18.9 Å²	18.9	53%	0.529	11%	0.113	S	C	.	.	H	α-helix	trans	-65.1	-28.3	-177.9	0	0	0	0	0	113.2	G717 A718 R719	G717-A721 WeakPolarHBondContact O-CB 3.34Å; G717-A721 PolarHBondContact O-N 2.85Å; A718-A721 PolarHBondContact O-N 2.98Å; R719-A721 VanDerWaalsContact C-N 3.33Å; R719-A721 PolarHBondContact O-N 3.2Å
722	Y	94.6	Very high	94.2	Very high	17 Å²	17	19 Å²	19	7%	0.067	11%	0.113	C	C	.	.	H	α-helix	trans	-92.9	-38.7	-174	-166.1	-116.9	0	0	0	114.6	D688 S690 N692 G693 V694 R695 V710 A718 R719 L720	D688-Y722 WeakPolarHBondContact OD2-CE2 3.37Å; D688-Y722 VanDerWaalsContact OD2-CZ 3.27Å; D688-Y722 PolarHBondContact OD2-OH 3Å; S690-Y722 WeakPolarHBondContact OG-CE2 3.27Å; N692-Y722 HydrophobicContact CB-CD2 4.2Å; N692-Y722 HydrophobicContact CB-CG 4.14Å; G693-Y722 PolarHBondContact O-OH 3.45Å; V694-Y722 VanDerWaalsContact CA-OH 3.23Å; V694-Y722 WeakPolarHBondContact CA-OH 3.3Å; V694-Y722 PolarHBondContact N-OH 2.85Å; V694-Y722 PolarHBondContact O-OH 3.02Å; R695-Y722 HydrophobicContact CG-CE1 4.48Å; R695-Y722 WeakPolarHBondContact CG-OH 3.3Å; R695-Y722 PolarHBondContact N-OH 3.23Å; R695-Y722 PolarHBondContact NH2-O 2.82Å; V710-Y722 HydrophobicContact CG2-CD1 3.97Å; A718-Y722 WeakPolarHBondContact O-CB 3.48Å; A718-Y722 PolarHBondContact O-N 3.41Å; R719-Y722 PolarHBondContact O-N 2.93Å; R719-Y722 VanDerWaalsContact O-N 3.11Å; L720-Y722 VanDerWaalsContact C-N 3.26Å; L720-Y722 PolarHBondContact O-N 3.44Å
723	I	93.3	Very high	94	Very high	5 Å²	5	17.5 Å²	17.5	3%	0.026	11%	0.106	C	C	.	.	H	α-helix	trans	-123.5	-1.6	-177.3	69.6	172.3	0	0	0	115.2	V710 R719 F725 G727 K730	V710-I723 HydrophobicContact CG2-CD1 4.01Å; V710-I723 HydrophobicContact CG2-CG1 4.16Å; V710-I723 HydrophobicContact CG2-CG2 3.88Å; R719-I723 PolarHBondContact O-N 3.36Å; I723-F725 HydrophobicContact CD1-CD1 3.89Å; I723-F725 HydrophobicContact CD1-CE1 3.34Å; I723-F725 HydrophobicContact CD1-CZ 3.89Å; I723-F725 HydrophobicContact CG1-CD1 3.84Å; I723-F725 HydrophobicContact CG1-CE1 3.8Å; I723-G727 VanDerWaalsContact CD1-O 3.26Å; I723-G727 WeakPolarHBondContact CD1-O 3.33Å; I723-K730 HydrophobicContact CB-CB 4.12Å; I723-K730 HydrophobicContact CD1-CB 4.46Å; I723-K730 HydrophobicContact CG2-CB 4.45Å; I723-K730 WeakPolarHBondContact O-CE 3.46Å
724	G	90.6	Very high	93.7	Very high	20 Å²	20	23.4 Å²	23.4	21%	0.206	13%	0.128	C	C	.	.	S	Bend	trans	89.8	3.7	172.7	0	0	0	0	0	116.1	L720 L845	L720-G724 VanDerWaalsContact O-CA 3.23Å; L720-G724 WeakPolarHBondContact O-CA 3.41Å; L720-G724 PolarHBondContact O-N 3.24Å; G724-L845 PolarHBondContact O-N 2.94Å
725	F	91.8	Very high	93.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	-155.4	169.5	173.9	75.2	-71.1	0	0	0	110.7	R719 L720 I723 G727 K730 R739 L742 L845	R719-F725 CarbonylContact C-O 3.03Å; L720-F725 WeakPolarHBondContact CA-O 3.18Å; L720-F725 PolarHBondContact N-O 3.25Å; I723-F725 HydrophobicContact CD1-CD1 3.89Å; I723-F725 HydrophobicContact CD1-CE1 3.34Å; I723-F725 HydrophobicContact CD1-CZ 3.89Å; I723-F725 HydrophobicContact CG1-CD1 3.84Å; I723-F725 HydrophobicContact CG1-CE1 3.8Å; F725-G727 VanDerWaalsContact CD2-N 3.26Å; F725-G727 VanDerWaalsContact CE2-CA 3.41Å; F725-G727 PolarHBondContact O-N 2.77Å; F725-K730 HydrophobicContact CE1-CB 4.41Å; F725-R739 HydrophobicContact CD1-CB 4.33Å; F725-R739 HydrophobicContact CD1-CG 3.97Å; F725-R739 HydrophobicContact CE1-CB 3.72Å; F725-R739 HydrophobicContact CE1-CG 3.66Å; F725-R739 HydrophobicContact CE2-CB 3.97Å; F725-R739 HydrophobicContact CZ-CB 3.53Å; F725-R739 HydrophobicContact CZ-CG 4.03Å; F725-L742 HydrophobicContact CB-CD1 4.39Å; F725-L742 HydrophobicContact CD2-CD1 3.4Å; F725-L742 HydrophobicContact CD2-CG 4.13Å; F725-L742 HydrophobicContact CE2-CD1 3.9Å; F725-L742 HydrophobicContact CE2-CG 4.16Å; F725-L742 HydrophobicContact CG-CD1 4.15Å; F725-L845 HydrophobicContact CB-CB 4.37Å; F725-L845 HydrophobicContact CB-CD1 4.11Å
726	G	91.3	Very high	93.2	Very high	3 Å²	3	23.6 Å²	23.6	3%	0.031	13%	0.125	C	C	.	.	S	Bend	trans	-72.7	12.1	-177.1	0	0	0	0	0	116.4	R719	R719-G726 WeakPolarHBondContact CD-O 3.37Å; R719-G726 PolarHBondContact NH1-O 3.03Å
727	G	94.1	Very high	93.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-94.8	-172.4	179.7	0	0	0	0	0	114.8	R719 I723 F725	R719-G727 WeakPolarHBondContact CB-O 3.44Å; R719-G727 WeakPolarHBondContact CD-O 3.37Å; R719-G727 WeakPolarHBondContact CG-O 3.34Å; I723-G727 VanDerWaalsContact CD1-O 3.26Å; I723-G727 WeakPolarHBondContact CD1-O 3.33Å; F725-G727 VanDerWaalsContact CD2-N 3.26Å; F725-G727 VanDerWaalsContact CE2-CA 3.41Å; F725-G727 PolarHBondContact O-N 2.77Å
728	H	96.1	Very high	93.1	Very high	10 Å²	10	23.7 Å²	23.7	5%	0.046	12%	0.121	C	C	.	.	S	Bend	trans	-105.1	-27	-168	-65	96.1	0	0	0	114.6	V534 F543 V710	V534-H728 HydrophobicContact CG1-CB 3.81Å; F543-H728 HydrophobicContact CE1-CB 3.73Å; F543-H728 HydrophobicContact CZ-CB 4.38Å; V710-H728 PolarHBondContact N-O 3.43Å
729	C	96.9	Very high	93.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	139.1	-178.7	-175.4	0	0	0	0	112.8	F543 S708 Y740	F543-C729 HydrophobicContact CB-CB 4.48Å; F543-C729 HydrophobicContact CD1-CB 3.92Å; F543-C729 HydrophobicContact CD2-CB 3.43Å; F543-C729 VanDerWaalsContact CD2-CB 3.43Å; F543-C729 HydrophobicContact CE1-CB 3.96Å; F543-C729 HydrophobicContact CE2-CB 3.48Å; F543-C729 VanDerWaalsContact CE2-CB 3.48Å; F543-C729 HydrophobicContact CG-CB 3.66Å; F543-C729 HydrophobicContact CZ-CB 3.75Å; S708-C729 VanDerWaalsContact O-CA 3.3Å; S708-C729 WeakPolarHBondContact O-CA 3.43Å; S708-C729 PolarHBondContact O-SG 2.81Å; C729-Y740 HydrophobicContact CB-CD2 3.81Å; C729-Y740 PolarHBondContact O-N 3.18Å
730	K	96	Very high	93.1	Very high	6 Å²	6	25.5 Å²	25.5	3%	0.026	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	128.1	170.6	174.4	171	64	127	0	108.7	S708 I723 F725 E732 I737 T738 E841	S708-K730 PolarHBondContact N-O 3.49Å; S708-K730 PolarHBondContact O-N 2.7Å; I723-K730 HydrophobicContact CB-CB 4.12Å; I723-K730 HydrophobicContact CD1-CB 4.46Å; I723-K730 HydrophobicContact CG2-CB 4.45Å; I723-K730 WeakPolarHBondContact O-CE 3.46Å; F725-K730 HydrophobicContact CE1-CB 4.41Å; K730-E732 WeakPolarHBondContact CE-OE1 3.22Å; K730-E732 IonicContact NZ-OE1 2.78Å; K730-E732 PolarHBondContact NZ-OE1 3.32Å; K730-E732 IonicContact NZ-OE2 2.91Å; K730-I737 HydrophobicContact CD-CG2 3.72Å; K730-I737 HydrophobicContact CG-CG2 3.84Å; K730-T738 WeakPolarHBondContact CA-O 3.37Å; K730-E841 IonicContact NZ-OE1 3.06Å; K730-E841 PolarHBondContact NZ-OE1 2.65Å
731	V	96.6	Very high	92.9	Very high	8 Å²	8	25 Å²	25	5%	0.048	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.6	168.7	175.2	0	0	0	0	108.1	V566 L568 K705 I706 V707 T738 Y740	V566-V731 HydrophobicContact CG1-CG2 4.11Å; L568-V731 HydrophobicContact CD2-CG1 4.03Å; L568-V731 HydrophobicContact CD2-CG2 3.84Å; K705-V731 HydrophobicContact CD-CG1 4.24Å; I706-V731 WeakPolarHBondContact O-CA 3.36Å; V707-V731 HydrophobicContact CB-CG2 4.47Å; V707-V731 HydrophobicContact CG1-CG2 4.04Å; V707-V731 HydrophobicContact CG2-CG2 4.22Å; V731-T738 PolarHBondContact N-O 2.91Å; V731-T738 PolarHBondContact O-N 2.97Å; V731-Y740 HydrophobicContact CG2-CE2 3.78Å
732	E	94.4	Very high	92.5	Very high	9 Å²	9	24.5 Å²	24.5	4%	0.042	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	140.4	-179.1	63.1	-157.5	84.7	0	0	111.2	K705 I706 K730 Q736 I737	K705-E732 WeakPolarHBondContact CA-O 3.27Å; I706-E732 HydrophobicContact CB-CG 3.73Å; I706-E732 HydrophobicContact CG2-CG 4.17Å; I706-E732 PolarHBondContact N-O 2.84Å; I706-E732 PolarHBondContact O-N 2.78Å; K730-E732 WeakPolarHBondContact CE-OE1 3.22Å; K730-E732 IonicContact NZ-OE1 2.78Å; K730-E732 PolarHBondContact NZ-OE1 3.32Å; K730-E732 IonicContact NZ-OE2 2.91Å; E732-Q736 WeakPolarHBondContact CA-O 3.34Å; E732-I737 HydrophobicContact CB-CG1 4.05Å; E732-I737 HydrophobicContact CB-CG2 4.37Å
733	D	91.1	Very high	92.1	Very high	13 Å²	13	24.6 Å²	24.6	7%	0.07	13%	0.125	C	C	.	.			trans	-135.1	177.5	169.8	69.8	50.7	0	0	0	109.5	T703 K705 Y735 Q736 I747	T703-D733 HydrophobicContact CG2-CB 4.17Å; K705-D733 HydrophobicContact CG-CB 4.27Å; D733-Y735 PolarHBondContact O-N 3.31Å; D733-Y735 WeakPolarHBondContact OD1-CA 3.43Å; D733-Y735 WeakPolarHBondContact OD1-CB 3.3Å; D733-Y735 PolarHBondContact OD1-N 2.85Å; D733-Q736 PolarHBondContact N-O 3.36Å; D733-Q736 PolarHBondContact O-N 3.33Å; D733-Q736 PolarHBondContact OD1-N 2.87Å; D733-Q736 VanDerWaalsContact OD1-N 3.14Å; D733-Q736 PolarHBondContact OD2-NE2 3.43Å; D733-Q736 VanDerWaalsContact OD2-NE2 3.16Å; D733-I747 WeakPolarHBondContact O-CD1 3.48Å
734	R	87.7	Confident	91.9	Very high	143 Å²	143	25.8 Å²	25.8	54%	0.54	13%	0.132	S	C	.	.	S	Bend	trans	-62.3	-4	-178.4	62.1	176.9	165.6	177.4	-6.7	115.7	T703	T703-R734 HydrophobicContact CG2-CG 4.45Å; T703-R734 PolarHBondContact OG1-NH2 3.28Å
735	Y	88.1	Confident	91.6	Very high	96 Å²	96	28.1 Å²	28.1	38%	0.376	14%	0.138	S	C	.	.	S	Bend	trans	-122.5	-23.4	-178.7	-53	-55.1	0	0	0	113.5	D733 I747	D733-Y735 PolarHBondContact O-N 3.31Å; D733-Y735 WeakPolarHBondContact OD1-CA 3.43Å; D733-Y735 WeakPolarHBondContact OD1-CB 3.3Å; D733-Y735 PolarHBondContact OD1-N 2.85Å; Y735-I747 PolarHBondContact O-N 2.8Å
736	Q	91.4	Very high	91.2	Very high	40 Å²	40	33.5 Å²	33.5	19%	0.187	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	156.5	-172.2	66.7	-167.8	-16.4	0	0	113.8	E732 D733 T744 Q745 H746	E732-Q736 WeakPolarHBondContact CA-O 3.34Å; D733-Q736 PolarHBondContact N-O 3.36Å; D733-Q736 PolarHBondContact O-N 3.33Å; D733-Q736 PolarHBondContact OD1-N 2.87Å; D733-Q736 VanDerWaalsContact OD1-N 3.14Å; D733-Q736 PolarHBondContact OD2-NE2 3.43Å; D733-Q736 VanDerWaalsContact OD2-NE2 3.16Å; Q736-T744 HydrophobicContact CB-CG2 3.67Å; Q736-T744 HydrophobicContact CG-CG2 4.14Å; Q736-Q745 CarbonylContact C-O 3.59Å; Q736-Q745 WeakPolarHBondContact CA-O 3.26Å; Q736-H746 PolarHBondContact OE1-CE1 3.32Å
737	I	92.8	Very high	90.7	Very high	11 Å²	11	35.3 Å²	35.3	6%	0.056	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	109.8	173.3	-54.8	178.9	0	0	0	108.7	K730 E732 R739 T744 Q745 I747	K730-I737 HydrophobicContact CD-CG2 3.72Å; K730-I737 HydrophobicContact CG-CG2 3.84Å; E732-I737 HydrophobicContact CB-CG1 4.05Å; E732-I737 HydrophobicContact CB-CG2 4.37Å; I737-R739 HydrophobicContact CG2-CG 4.41Å; I737-T744 WeakPolarHBondContact O-CA 3.47Å; I737-Q745 PolarHBondContact N-O 3.38Å; I737-Q745 PolarHBondContact O-N 3.2Å; I737-I747 HydrophobicContact CD1-CD1 4.44Å; I737-I747 HydrophobicContact CG1-CD1 4.09Å; I737-I747 HydrophobicContact CG1-CG1 4.26Å
738	T	94.5	Very high	89.2	Confident	11 Å²	11	39.2 Å²	39.2	7%	0.067	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	116.5	172.6	-57.2	0	0	0	0	109.8	H538 K730 V731 Y740 T744	H538-T738 HydrophobicContact CB-CG2 4.15Å; K730-T738 WeakPolarHBondContact CA-O 3.37Å; V731-T738 PolarHBondContact N-O 2.91Å; V731-T738 PolarHBondContact O-N 2.97Å; T738-Y740 HydrophobicContact CG2-CE1 4.41Å; T738-T744 WeakPolarHBondContact CB-OG1 3.27Å; T738-T744 PolarHBondContact OG1-OG1 3.41Å
739	R	94.1	Very high	87	Confident	36 Å²	36	46.5 Å²	46.5	14%	0.136	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	106.6	171.6	-67.6	-177.7	-173.1	83.2	-9.7	107.6	F725 I737 G741 L742 G743	F725-R739 HydrophobicContact CD1-CB 4.33Å; F725-R739 HydrophobicContact CD1-CG 3.97Å; F725-R739 HydrophobicContact CE1-CB 3.72Å; F725-R739 HydrophobicContact CE1-CG 3.66Å; F725-R739 HydrophobicContact CE2-CB 3.97Å; F725-R739 HydrophobicContact CZ-CB 3.53Å; F725-R739 HydrophobicContact CZ-CG 4.03Å; I737-R739 HydrophobicContact CG2-CG 4.41Å; R739-G741 PolarHBondContact O-N 3.33Å; R739-L742 HydrophobicContact CB-CB 4.13Å; R739-L742 CarbonylContact O-C 3.6Å; R739-L742 PolarHBondContact O-N 3.24Å; R739-G743 PolarHBondContact N-O 2.9Å; R739-G743 PolarHBondContact O-N 3.42Å
740	Y	93.8	Very high	84.4	Confident	7 Å²	7	53.5 Å²	53.5	3%	0.027	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	132.8	-179.4	-73.4	-76.1	0	0	0	110.5	T541 M542 F543 V566 C729 V731 T738	T541-Y740 WeakPolarHBondContact CB-OH 3.4Å; M542-Y740 PolarHBondContact O-OH 3.03Å; F543-Y740 HydrophobicContact CB-CD1 3.69Å; F543-Y740 HydrophobicContact CB-CD2 3.6Å; F543-Y740 HydrophobicContact CB-CE1 3.96Å; F543-Y740 HydrophobicContact CB-CE2 3.83Å; F543-Y740 HydrophobicContact CB-CG 3.49Å; F543-Y740 VanDerWaalsContact CB-CG 3.49Å; F543-Y740 HydrophobicContact CG-CD2 4.22Å; F543-Y740 HydrophobicContact CG-CG 4.36Å; V566-Y740 HydrophobicContact CG1-CE2 4Å; C729-Y740 HydrophobicContact CB-CD2 3.81Å; C729-Y740 PolarHBondContact O-N 3.18Å; V731-Y740 HydrophobicContact CG2-CE2 3.78Å; T738-Y740 HydrophobicContact CG2-CE1 4.41Å
741	G	88.8	Confident	81.7	Confident	26 Å²	26	59.9 Å²	59.9	27%	0.268	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	-12.4	-168	0	0	0	0	0	116.2	S536 R739	S536-G741 PolarHBondContact OG-N 2.89Å; R739-G741 PolarHBondContact O-N 3.33Å
742	L	85.2	Confident	79.1	Confident	54 Å²	54	63.1 Å²	63.1	28%	0.283	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129	-6.6	178.4	-58.6	-179.2	0	0	0	114.8	F725 R739 L845	F725-L742 HydrophobicContact CB-CD1 4.39Å; F725-L742 HydrophobicContact CD2-CD1 3.4Å; F725-L742 HydrophobicContact CD2-CG 4.13Å; F725-L742 HydrophobicContact CE2-CD1 3.9Å; F725-L742 HydrophobicContact CE2-CG 4.16Å; F725-L742 HydrophobicContact CG-CD1 4.15Å; R739-L742 HydrophobicContact CB-CB 4.13Å; R739-L742 CarbonylContact O-C 3.6Å; R739-L742 PolarHBondContact O-N 3.24Å; L742-L845 HydrophobicContact CD1-CD1 3.55Å
743	G	86.6	Confident	76.4	Confident	18 Å²	18	68.3 Å²	68.3	19%	0.186	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	87.7	-160.2	176.9	0	0	0	0	0	114.8	R739	R739-G743 PolarHBondContact N-O 2.9Å; R739-G743 PolarHBondContact O-N 3.42Å
744	T	87.3	Confident	74.2	Confident	30 Å²	30	73.6 Å²	73.6	18%	0.184	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126.4	-167.6	-62.7	0	0	0	0	113.2	H538 Q736 I737 T738	H538-T744 PolarHBondContact CD2-OG1 3.48Å; H538-T744 PolarHBondContact NE2-OG1 3.31Å; H538-T744 VanDerWaalsContact NE2-OG1 3.08Å; Q736-T744 HydrophobicContact CB-CG2 3.67Å; Q736-T744 HydrophobicContact CG-CG2 4.14Å; I737-T744 WeakPolarHBondContact O-CA 3.47Å; T738-T744 WeakPolarHBondContact CB-OG1 3.27Å; T738-T744 PolarHBondContact OG1-OG1 3.41Å
745	Q	85.1	Confident	72.2	Confident	70 Å²	70	72.7 Å²	72.7	33%	0.327	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	121.7	170	-178.5	178.1	9.4	0	0	109.2	Q736 I737	Q736-Q745 CarbonylContact C-O 3.59Å; Q736-Q745 WeakPolarHBondContact CA-O 3.26Å; I737-Q745 PolarHBondContact N-O 3.38Å; I737-Q745 PolarHBondContact O-N 3.2Å
746	H	83.9	Confident	69.9	Low	112 Å²	112	75.8 Å²	75.8	52%	0.519	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	136.7	173.3	-72.3	-73.1	0	0	0	110.5	R539 Q736	R539-H746 VanDerWaalsContact CZ-NE2 3.32Å; R539-H746 PolarHBondContact NH1-CE1 3.35Å; R539-H746 PolarHBondContact NH1-NE2 3.19Å; R539-H746 PolarHBondContact NH2-NE2 3.49Å; Q736-H746 PolarHBondContact OE1-CE1 3.32Å
747	I	79.8	Confident	67.7	Low	41 Å²	41	80.5 Å²	80.5	21%	0.21	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-85.5	120.7	172.9	-56.5	176.6	0	0	0	107	D733 Y735 I737 K749	D733-I747 WeakPolarHBondContact O-CD1 3.48Å; Y735-I747 PolarHBondContact O-N 2.8Å; I737-I747 HydrophobicContact CD1-CD1 4.44Å; I737-I747 HydrophobicContact CG1-CD1 4.09Å; I737-I747 HydrophobicContact CG1-CG1 4.26Å; I747-K749 PolarHBondContact O-N 3.11Å
748	P	62.6	Low	65.6	Low	83 Å²	83	88.4 Å²	88.4	54%	0.539	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-59.9	126.3	179.4	-24.7	35.1	0	0	0	111.3	Q750	P748-Q750 PolarHBondContact O-N 3.33Å
749	K	49.8	Very low	63.4	Low	162 Å²	162	93.1 Å²	93.1	70%	0.704	48%	0.482	S	S	*	.			trans	-64.5	107.4	166.6	-79.3	-175.2	178.1	177.6	0	108.5	I747 I751	I747-K749 PolarHBondContact O-N 3.11Å; K749-I751 PolarHBondContact O-N 3.26Å
750	Q	42.8	Very low	61.4	Low	147 Å²	147	96.4 Å²	96.4	69%	0.687	50%	0.501	S	S	*	.			trans	-64.5	119.7	163.1	-163.3	172.9	8.4	0	0	107.7	P748 S752	P748-Q750 PolarHBondContact O-N 3.33Å; Q750-S752 PolarHBondContact O-N 3.19Å
751	I	38.8	Very low	59.6	Low	140 Å²	140	97.4 Å²	97.4	72%	0.718	51%	0.514	S	S	*	.			trans	-75.8	97.2	177.2	-57	177.3	0	0	0	107.2	K749 N753	K749-I751 PolarHBondContact O-N 3.26Å; I751-N753 VanDerWaalsContact C-N 3.32Å; I751-N753 WeakPolarHBondContact CG2-OD1 3.31Å; I751-N753 PolarHBondContact O-N 2.86Å
752	S	42.8	Very low	58.4	Low	76 Å²	76	102.8 Å²	102.8	53%	0.531	53%	0.53	S	S	.	.			trans	-75.6	80.9	176.4	60.1	0	0	0	0	110.5	Q750 D754	Q750-S752 PolarHBondContact O-N 3.19Å; S752-D754 PolarHBondContact O-N 2.93Å
753	N	38.1	Very low	57.1	Low	119 Å²	119	103.8 Å²	103.8	64%	0.636	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-22.3	177.3	-84.5	-4.9	0	0	0	113.2	I751 N755	I751-N753 VanDerWaalsContact C-N 3.32Å; I751-N753 WeakPolarHBondContact CG2-OD1 3.31Å; I751-N753 PolarHBondContact O-N 2.86Å; N753-N755 VanDerWaalsContact C-N 3.31Å; N753-N755 PolarHBondContact O-N 3.02Å
754	D	44.4	Very low	56.1	Low	124 Å²	124	108.2 Å²	108.2	66%	0.663	56%	0.557	S	S	*	*	H	α-helix	trans	-67.4	-25	-170.1	-53.3	-43.2	0	0	0	114.5	S752	S752-D754 PolarHBondContact O-N 2.93Å
755	N	44.7	Very low	55	Low	124 Å²	124	110.2 Å²	110.2	66%	0.663	57%	0.567	S	S	*	*	H	α-helix	trans	-86.1	-12.7	-171.8	-77.8	-9.5	0	0	0	115.3	N753	N753-N755 VanDerWaalsContact C-N 3.31Å; N753-N755 PolarHBondContact O-N 3.02Å
756	Q	40.3	Very low	54.3	Low	161 Å²	161	110.2 Å²	110.2	75%	0.752	57%	0.572	S	S	*	*	H	α-helix	trans	-89.1	-27	176.8	-78.4	-166.7	-39.7	0	0	113.7	I760	Q756-I760 WeakPolarHBondContact O-CD1 3.48Å; Q756-I760 WeakPolarHBondContact O-CG1 3.43Å
757	L	46.5	Very low	53.7	Low	139 Å²	139	108.8 Å²	108.8	73%	0.728	57%	0.571	S	S	*	*	H	α-helix	trans	-76.3	-40	178.6	-73.8	166.2	0	0	0	112.2	G761	L757-G761 PolarHBondContact O-N 2.79Å
758	F	47.5	Very low	53.2	Low	176 Å²	176	109.4 Å²	109.4	77%	0.772	58%	0.582	S	S	*	*	H	α-helix	trans	-67.4	-40	-176.7	-114.4	-82.7	0	0	0	113.7	G761 F762	F758-G761 PolarHBondContact O-N 3.05Å; F758-F762 WeakPolarHBondContact O-CB 3.47Å; F758-F762 PolarHBondContact O-N 3.32Å
759	D	48	Very low	53.6	Low	110 Å²	110	107 Å²	107	59%	0.588	57%	0.572	S	S	*	*	H	α-helix	trans	-72.2	-35.6	-177.1	-152.4	15	0	0	0	111.6	T763	D759-T763 VanDerWaalsContact O-CB 3.24Å; D759-T763 WeakPolarHBondContact O-CB 3.39Å; D759-T763 PolarHBondContact O-N 3.44Å; D759-T763 PolarHBondContact O-OG1 2.75Å
760	I	53.9	Low	54.8	Low	106 Å²	106	103.4 Å²	103.4	54%	0.544	56%	0.563	S	S	.	*	H	α-helix	trans	-65	-46.7	170.4	-66.7	174.1	0	0	0	110.5	Q756 T763 L764	Q756-I760 WeakPolarHBondContact O-CD1 3.48Å; Q756-I760 WeakPolarHBondContact O-CG1 3.43Å; I760-T763 PolarHBondContact O-N 3.43Å; I760-L764 HydrophobicContact CG2-CD1 3.85Å; I760-L764 HydrophobicContact CG2-CG 4.48Å; I760-L764 WeakPolarHBondContact O-CB 3.3Å; I760-L764 WeakPolarHBondContact O-CG 3.43Å; I760-L764 PolarHBondContact O-N 3.39Å
761	G	55.3	Low	56.2	Low	28 Å²	28	100.7 Å²	100.7	29%	0.289	56%	0.557	S	S	.	*	H	α-helix	trans	-63.6	-40.6	178.7	0	0	0	0	0	113.5	L757 F758 N765	L757-G761 PolarHBondContact O-N 2.79Å; F758-G761 PolarHBondContact O-N 3.05Å; G761-N765 WeakPolarHBondContact O-CB 3.42Å; G761-N765 PolarHBondContact O-N 2.92Å; G761-N765 PolarHBondContact O-ND2 3.22Å
762	F	62.5	Low	57.6	Low	139 Å²	139	98.6 Å²	98.6	61%	0.61	55%	0.546	S	S	*	.	H	α-helix	trans	-67.7	-46	174.9	-176.1	-104.2	0	0	0	111.5	F758 L764 N765 V766	F758-F762 WeakPolarHBondContact O-CB 3.47Å; F758-F762 PolarHBondContact O-N 3.32Å; F762-L764 PolarHBondContact O-N 3.17Å; F762-N765 PolarHBondContact O-N 3.11Å; F762-V766 HydrophobicContact CD1-CG2 4.18Å; F762-V766 HydrophobicContact CE1-CG2 3.78Å; F762-V766 HydrophobicContact CE2-CG2 4.17Å; F762-V766 HydrophobicContact CZ-CG2 3.77Å; F762-V766 WeakPolarHBondContact O-CG2 3.39Å; F762-V766 PolarHBondContact O-N 3.25Å
763	T	59.3	Low	58.8	Low	75 Å²	75	99.2 Å²	99.2	46%	0.46	55%	0.55	S	S	.	.	H	α-helix	trans	-61.8	-42.5	177.7	-59	0	0	0	0	111.6	D759 I760 V766 V767	D759-T763 VanDerWaalsContact O-CB 3.24Å; D759-T763 WeakPolarHBondContact O-CB 3.39Å; D759-T763 PolarHBondContact O-N 3.44Å; D759-T763 PolarHBondContact O-OG1 2.75Å; I760-T763 PolarHBondContact O-N 3.43Å; T763-V766 PolarHBondContact O-N 3.5Å; T763-V767 HydrophobicContact CG2-CG2 4.46Å; T763-V767 WeakPolarHBondContact O-CB 3.47Å; T763-V767 VanDerWaalsContact O-CG2 3.3Å; T763-V767 WeakPolarHBondContact O-CG2 3.47Å; T763-V767 PolarHBondContact O-N 3.08Å
764	L	64.4	Low	60.4	Low	111 Å²	111	98 Å²	98	58%	0.581	55%	0.546	S	S	*	.	H	α-helix	trans	-61.2	-43.1	173.8	-82.2	168.2	0	0	0	112.1	I760 F762 V767 A768	I760-L764 HydrophobicContact CG2-CD1 3.85Å; I760-L764 HydrophobicContact CG2-CG 4.48Å; I760-L764 WeakPolarHBondContact O-CB 3.3Å; I760-L764 WeakPolarHBondContact O-CG 3.43Å; I760-L764 PolarHBondContact O-N 3.39Å; F762-L764 PolarHBondContact O-N 3.17Å; L764-V767 PolarHBondContact O-N 3.3Å; L764-A768 WeakPolarHBondContact O-CB 3.12Å; L764-A768 PolarHBondContact O-N 2.89Å
765	N	64.2	Low	61.4	Low	71 Å²	71	94 Å²	94	38%	0.38	53%	0.531	S	S	.	.	H	α-helix	trans	-69.1	-35.8	178.1	-85	-73.2	0	0	0	113	G761 F762 G769	G761-N765 WeakPolarHBondContact O-CB 3.42Å; G761-N765 PolarHBondContact O-N 2.92Å; G761-N765 PolarHBondContact O-ND2 3.22Å; F762-N765 PolarHBondContact O-N 3.11Å; N765-G769 PolarHBondContact O-N 2.94Å
766	V	70.7	Confident	62.5	Low	71 Å²	71	92.4 Å²	92.4	43%	0.43	52%	0.521	S	S	.	.	H	α-helix	trans	-66.9	-44.8	172.8	171.9	0	0	0	0	110.9	F762 T763 G769 V770	F762-V766 HydrophobicContact CD1-CG2 4.18Å; F762-V766 HydrophobicContact CE1-CG2 3.78Å; F762-V766 HydrophobicContact CE2-CG2 4.17Å; F762-V766 HydrophobicContact CZ-CG2 3.77Å; F762-V766 WeakPolarHBondContact O-CG2 3.39Å; F762-V766 PolarHBondContact O-N 3.25Å; T763-V766 PolarHBondContact O-N 3.5Å; V766-G769 PolarHBondContact O-N 3.1Å; V766-V770 WeakPolarHBondContact O-CG2 3.26Å; V766-V770 PolarHBondContact O-N 3.43Å
767	V	71.4	Confident	63.9	Low	82 Å²	82	86.2 Å²	86.2	50%	0.497	50%	0.501	S	S	.	.	H	α-helix	trans	-63.2	-44.6	175.7	170	0	0	0	0	111	T763 L764 G769 V770 V771	T763-V767 HydrophobicContact CG2-CG2 4.46Å; T763-V767 WeakPolarHBondContact O-CB 3.47Å; T763-V767 VanDerWaalsContact O-CG2 3.3Å; T763-V767 WeakPolarHBondContact O-CG2 3.47Å; T763-V767 PolarHBondContact O-N 3.08Å; L764-V767 PolarHBondContact O-N 3.3Å; V767-G769 PolarHBondContact O-N 3.12Å; V767-V770 PolarHBondContact O-N 2.82Å; V767-V771 HydrophobicContact CG1-CG2 4.36Å; V767-V771 WeakPolarHBondContact O-CB 3.29Å; V767-V771 VanDerWaalsContact O-CG2 3.28Å; V767-V771 WeakPolarHBondContact O-CG2 3.22Å; V767-V771 PolarHBondContact O-N 3.37Å
768	A	70	Confident	64.7	Low	54 Å²	54	86.2 Å²	86.2	45%	0.446	50%	0.495	S	S	.	.	H	α-helix	trans	-62.1	-41.4	175.7	0	0	0	0	0	111.8	L764 V771 L772	L764-A768 WeakPolarHBondContact O-CB 3.12Å; L764-A768 PolarHBondContact O-N 2.89Å; A768-V771 PolarHBondContact O-N 3.09Å; A768-L772 VanDerWaalsContact O-CB 3.25Å; A768-L772 WeakPolarHBondContact O-CB 3.35Å; A768-L772 PolarHBondContact O-N 2.92Å
769	G	70.9	Confident	65.4	Low	32 Å²	32	83 Å²	83	33%	0.33	49%	0.486	S	S	.	.	H	α-helix	trans	-63.1	-43.6	174.6	0	0	0	0	0	113	N765 V766 V767 L772 C773	N765-G769 PolarHBondContact O-N 2.94Å; V766-G769 PolarHBondContact O-N 3.1Å; V767-G769 PolarHBondContact O-N 3.12Å; G769-L772 PolarHBondContact O-N 3.4Å; G769-C773 WeakPolarHBondContact O-CB 3.4Å; G769-C773 PolarHBondContact O-N 3.36Å; G769-C773 PolarHBondContact O-SG 2.89Å; G769-C773 VanDerWaalsContact O-SG 3.36Å
770	V	74.1	Confident	66	Low	87 Å²	87	82.2 Å²	82.2	53%	0.527	49%	0.485	S	S	.	.	H	α-helix	trans	-64.9	-44.8	174.6	170.9	0	0	0	0	111	V766 V767 L772 C773 V774	V766-V770 WeakPolarHBondContact O-CG2 3.26Å; V766-V770 PolarHBondContact O-N 3.43Å; V767-V770 PolarHBondContact O-N 2.82Å; V770-L772 VanDerWaalsContact C-N 3.31Å; V770-L772 PolarHBondContact O-N 2.94Å; V770-C773 PolarHBondContact O-N 2.99Å; V770-V774 HydrophobicContact CG1-CG2 4.42Å; V770-V774 WeakPolarHBondContact O-CB 3.45Å; V770-V774 VanDerWaalsContact O-CG2 3.31Å; V770-V774 WeakPolarHBondContact O-CG2 3.39Å; V770-V774 PolarHBondContact O-N 3.26Å
771	V	72.6	Confident	66.2	Low	90 Å²	90	85 Å²	85	55%	0.545	50%	0.498	S	S	.	.	H	α-helix	trans	-62.1	-38.5	175.6	168.9	0	0	0	0	111.3	V767 A768 V774 A775	V767-V771 HydrophobicContact CG1-CG2 4.36Å; V767-V771 WeakPolarHBondContact O-CB 3.29Å; V767-V771 VanDerWaalsContact O-CG2 3.28Å; V767-V771 WeakPolarHBondContact O-CG2 3.22Å; V767-V771 PolarHBondContact O-N 3.37Å; A768-V771 PolarHBondContact O-N 3.09Å; V771-V774 PolarHBondContact O-N 2.99Å; V771-A775 WeakPolarHBondContact O-CB 3.29Å; V771-A775 PolarHBondContact O-N 3.09Å
772	L	69.3	Low	66.1	Low	95 Å²	95	88.6 Å²	88.6	50%	0.497	51%	0.507	S	S	.	.	H	α-helix	trans	-66.8	-44.7	175.8	-168.4	73	0	0	0	111.4	A768 G769 V770 A775 I776	A768-L772 VanDerWaalsContact O-CB 3.25Å; A768-L772 WeakPolarHBondContact O-CB 3.35Å; A768-L772 PolarHBondContact O-N 2.92Å; G769-L772 PolarHBondContact O-N 3.4Å; V770-L772 VanDerWaalsContact C-N 3.31Å; V770-L772 PolarHBondContact O-N 2.94Å; L772-A775 PolarHBondContact O-N 3.13Å; L772-I776 HydrophobicContact CD2-CD1 4.47Å; L772-I776 HydrophobicContact CG-CD1 3.97Å; L772-I776 WeakPolarHBondContact O-CB 3.37Å; L772-I776 VanDerWaalsContact O-CG1 3.25Å; L772-I776 WeakPolarHBondContact O-CG1 3.31Å; L772-I776 PolarHBondContact O-N 2.94Å
773	C	68.1	Low	65.5	Low	90 Å²	90	93.1 Å²	93.1	61%	0.608	52%	0.52	S	S	*	.	H	α-helix	trans	-62.2	-42	174.6	-74.9	0	0	0	0	112.1	G769 V770 I776 G777	G769-C773 WeakPolarHBondContact O-CB 3.4Å; G769-C773 PolarHBondContact O-N 3.36Å; G769-C773 PolarHBondContact O-SG 2.89Å; G769-C773 VanDerWaalsContact O-SG 3.36Å; V770-C773 PolarHBondContact O-N 2.99Å; C773-I776 PolarHBondContact O-N 2.64Å; C773-G777 PolarHBondContact O-N 2.75Å
774	V	70.8	Confident	65.1	Low	93 Å²	93	98.5 Å²	98.5	56%	0.564	54%	0.537	S	S	*	.	H	α-helix	trans	-64.5	-42.8	173.9	169.9	0	0	0	0	110.8	V770 V771 G777 F778	V770-V774 HydrophobicContact CG1-CG2 4.42Å; V770-V774 WeakPolarHBondContact O-CB 3.45Å; V770-V774 VanDerWaalsContact O-CG2 3.31Å; V770-V774 WeakPolarHBondContact O-CG2 3.39Å; V770-V774 PolarHBondContact O-N 3.26Å; V771-V774 PolarHBondContact O-N 2.99Å; V774-G777 PolarHBondContact O-N 2.69Å; V774-F778 WeakPolarHBondContact O-CB 3.28Å; V774-F778 PolarHBondContact O-N 3.42Å
775	A	64.6	Low	64.1	Low	41 Å²	41	102.4 Å²	102.4	34%	0.339	55%	0.55	S	S	.	.	H	α-helix	trans	-65.9	-38.4	177.2	0	0	0	0	0	112.6	V771 L772 F778 L779	V771-A775 WeakPolarHBondContact O-CB 3.29Å; V771-A775 PolarHBondContact O-N 3.09Å; L772-A775 PolarHBondContact O-N 3.13Å; A775-F778 PolarHBondContact O-N 3.2Å; A775-L779 WeakPolarHBondContact O-CB 3.1Å; A775-L779 VanDerWaalsContact O-CG 3.25Å; A775-L779 WeakPolarHBondContact O-CG 3.31Å; A775-L779 PolarHBondContact O-N 3.26Å
776	I	68.9	Low	63.2	Low	89 Å²	89	109.8 Å²	109.8	46%	0.456	57%	0.574	S	S	.	*	H	α-helix	trans	-67.7	-39.6	173.6	-70.1	166.7	0	0	0	110.6	L772 C773 L779 T780	L772-I776 HydrophobicContact CD2-CD1 4.47Å; L772-I776 HydrophobicContact CG-CD1 3.97Å; L772-I776 WeakPolarHBondContact O-CB 3.37Å; L772-I776 VanDerWaalsContact O-CG1 3.25Å; L772-I776 WeakPolarHBondContact O-CG1 3.31Å; L772-I776 PolarHBondContact O-N 2.94Å; C773-I776 PolarHBondContact O-N 2.64Å; I776-L779 PolarHBondContact O-N 2.96Å; I776-T780 WeakPolarHBondContact O-CB 3.45Å; I776-T780 WeakPolarHBondContact O-CG2 3.39Å; I776-T780 PolarHBondContact O-N 2.68Å; I776-T780 PolarHBondContact O-OG1 3.42Å
777	G	68.3	Low	61.9	Low	32 Å²	32	112.3 Å²	112.3	33%	0.33	59%	0.589	S	S	.	*	H	α-helix	trans	-58.8	-45.7	169.6	0	0	0	0	0	112.2	C773 V774 T780 M781	C773-G777 PolarHBondContact O-N 2.75Å; V774-G777 PolarHBondContact O-N 2.69Å; G777-T780 WeakPolarHBondContact CA-OG1 3.22Å; G777-T780 PolarHBondContact O-N 3.36Å; G777-T780 PolarHBondContact O-OG1 2.88Å; G777-M781 WeakPolarHBondContact O-CG 3.09Å; G777-M781 PolarHBondContact O-N 2.61Å
778	F	63.5	Low	60.9	Low	138 Å²	138	113.5 Å²	113.5	61%	0.605	60%	0.6	S	S	*	*	H	α-helix	trans	-64.8	-43.9	177.7	-139.8	-95.8	0	0	0	112	V774 A775 T780 M781 Q782	V774-F778 WeakPolarHBondContact O-CB 3.28Å; V774-F778 PolarHBondContact O-N 3.42Å; A775-F778 PolarHBondContact O-N 3.2Å; F778-T780 PolarHBondContact O-N 3.37Å; F778-M781 PolarHBondContact O-N 2.86Å; F778-Q782 HydrophobicContact CD1-CG 4.08Å; F778-Q782 HydrophobicContact CE1-CG 4.38Å; F778-Q782 VanDerWaalsContact O-CB 3.26Å; F778-Q782 WeakPolarHBondContact O-CB 3.16Å; F778-Q782 VanDerWaalsContact O-CG 3.29Å; F778-Q782 WeakPolarHBondContact O-CG 3.28Å; F778-Q782 PolarHBondContact O-N 3.06Å
779	L	62	Low	60.1	Low	109 Å²	109	118.4 Å²	118.4	57%	0.571	61%	0.611	S	S	*	*	H	α-helix	trans	-65.3	-34.7	176.6	-76.2	165.6	0	0	0	112.9	A775 I776	A775-L779 WeakPolarHBondContact O-CB 3.1Å; A775-L779 VanDerWaalsContact O-CG 3.25Å; A775-L779 WeakPolarHBondContact O-CG 3.31Å; A775-L779 PolarHBondContact O-N 3.26Å; I776-L779 PolarHBondContact O-N 2.96Å
780	T	61.4	Low	59.6	Low	94 Å²	94	120.7 Å²	120.7	58%	0.577	62%	0.622	S	S	*	*	H	α-helix	trans	-76.3	-34.1	176.3	48.3	0	0	0	0	112.4	I776 G777 F778 R783	I776-T780 WeakPolarHBondContact O-CB 3.45Å; I776-T780 WeakPolarHBondContact O-CG2 3.39Å; I776-T780 PolarHBondContact O-N 2.68Å; I776-T780 PolarHBondContact O-OG1 3.42Å; G777-T780 WeakPolarHBondContact CA-OG1 3.22Å; G777-T780 PolarHBondContact O-N 3.36Å; G777-T780 PolarHBondContact O-OG1 2.88Å; F778-T780 PolarHBondContact O-N 3.37Å; T780-R783 WeakPolarHBondContact O-CB 3.42Å
781	M	58	Low	58.8	Low	164 Å²	164	126.3 Å²	126.3	81%	0.808	63%	0.634	S	S	*	*	H	α-helix	trans	-75.4	-28.8	170.8	-65.4	-153	83.9	0	0	113.5	G777 F778 R783	G777-M781 WeakPolarHBondContact O-CG 3.09Å; G777-M781 PolarHBondContact O-N 2.61Å; F778-M781 PolarHBondContact O-N 2.86Å; M781-R783 PolarHBondContact O-N 2.76Å
782	Q	52.5	Low	58.1	Low	103 Å²	103	127.9 Å²	127.9	48%	0.481	64%	0.639	S	S	.	*	G	3₁₀ helix	trans	-64.8	-5.8	176.2	-88.3	-175.6	-20.5	0	0	114.2	F778 K784 F785	F778-Q782 HydrophobicContact CD1-CG 4.08Å; F778-Q782 HydrophobicContact CE1-CG 4.38Å; F778-Q782 VanDerWaalsContact O-CB 3.26Å; F778-Q782 WeakPolarHBondContact O-CB 3.16Å; F778-Q782 VanDerWaalsContact O-CG 3.29Å; F778-Q782 WeakPolarHBondContact O-CG 3.28Å; F778-Q782 PolarHBondContact O-N 3.06Å; Q782-K784 PolarHBondContact O-N 2.67Å; Q782-F785 PolarHBondContact O-N 2.79Å; Q782-F785 VanDerWaalsContact O-N 3.08Å
783	R	50	Low	57.7	Low	234 Å²	234	128.9 Å²	128.9	88%	0.883	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-63.9	9.7	179.2	-144.5	176.3	-170.3	-179.5	2.9	115.3	T780 M781	T780-R783 WeakPolarHBondContact O-CB 3.42Å; M781-R783 PolarHBondContact O-N 2.76Å
784	K	50.8	Low	57.4	Low	189 Å²	189	133.5 Å²	133.5	82%	0.822	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-118.8	-5.4	172.1	-87	-165.9	172.8	-173.8	0	116.1	Q782	Q782-K784 PolarHBondContact O-N 2.67Å
785	F	44.2	Very low	57	Low	193 Å²	193	137.4 Å²	137.4	85%	0.846	65%	0.653	S	S	*	*			trans	-130.6	142.8	174.6	-79.3	-81.5	0	0	0	111.9	Q782	Q782-F785 PolarHBondContact O-N 2.79Å; Q782-F785 VanDerWaalsContact O-N 3.08Å
786	Y	45.2	Very low	56.9	Low	225 Å²	225	137.8 Å²	137.8	88%	0.882	66%	0.656	S	S	*	*			trans	-117.2	168.8	-160.1	-136.3	-92.4	0	0	0	111.8
787	V	43.3	Very low	56.7	Low	124 Å²	124	138.3 Å²	138.3	75%	0.752	66%	0.659	S	S	*	*			trans	90.3	120.9	168.8	-172.1	0	0	0	0	117.7
788	C	50.9	Low	56.7	Low	107 Å²	107	142.1 Å²	142.1	72%	0.723	67%	0.671	S	S	*	*	S	Bend	trans	41.6	83.3	155.7	-65.3	0	0	0	0	122.7
789	F	52.1	Low	56.7	Low	157 Å²	157	139 Å²	139	69%	0.689	67%	0.667	S	S	*	*			trans	-146.2	18.2	135.8	-124.1	-82.9	0	0	0	114.4	R791 L792	F789-R791 PolarHBondContact O-N 2.77Å; F789-L792 HydrophobicContact CD1-CB 4.29Å; F789-L792 HydrophobicContact CE1-CB 4.22Å
790	S	60.6	Low	57.1	Low	80 Å²	80	138.3 Å²	138.3	56%	0.559	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-12.8	-158.7	61.6	0	0	0	0	117.5	R794	S790-R794 VanDerWaalsContact O-CD 3.31Å; S790-R794 WeakPolarHBondContact O-CD 3.35Å; S790-R794 VanDerWaalsContact O-CG 3.23Å; S790-R794 WeakPolarHBondContact O-CG 3.47Å
791	R	57.4	Low	57.5	Low	205 Å²	205	138.5 Å²	138.5	77%	0.774	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-47.1	178.2	-69.6	-172.5	-179.4	-175.6	0.8	112.5	F789 M793 R794 Y795	F789-R791 PolarHBondContact O-N 2.77Å; R791-M793 PolarHBondContact O-N 3.28Å; R791-R794 PolarHBondContact O-N 3.07Å; R791-R794 VanDerWaalsContact O-N 3.13Å; R791-Y795 VanDerWaalsContact O-CD2 3.27Å; R791-Y795 WeakPolarHBondContact O-CD2 3.47Å; R791-Y795 PolarHBondContact O-N 2.94Å
792	L	58	Low	58.2	Low	123 Å²	123	134.3 Å²	134.3	64%	0.644	65%	0.647	S	S	*	*	H	α-helix	trans	-66.9	-41.2	-175.7	-141.9	134.3	0	0	0	111.4	F789 R794 Y795 A796	F789-L792 HydrophobicContact CD1-CB 4.29Å; F789-L792 HydrophobicContact CE1-CB 4.22Å; L792-R794 VanDerWaalsContact C-N 3.3Å; L792-R794 PolarHBondContact O-N 2.99Å; L792-Y795 PolarHBondContact O-N 2.77Å; L792-A796 PolarHBondContact O-N 3.05Å
793	M	60.6	Low	58.8	Low	117 Å²	117	135 Å²	135	58%	0.576	65%	0.654	S	S	*	*	H	α-helix	trans	-62	-32.7	172.1	-76	-61.6	-66.3	0	0	113.5	R791 L797	R791-M793 PolarHBondContact O-N 3.28Å; M793-L797 WeakPolarHBondContact O-CB 3.38Å; M793-L797 PolarHBondContact O-N 2.97Å
794	R	62	Low	59.5	Low	187 Å²	187	130.9 Å²	130.9	71%	0.706	64%	0.638	S	S	*	*	H	α-helix	trans	-68.9	-43.6	176.5	-79.6	177.9	-175.3	-163.2	1.1	111.7	S790 R791 L792 L797 L798	S790-R794 VanDerWaalsContact O-CD 3.31Å; S790-R794 WeakPolarHBondContact O-CD 3.35Å; S790-R794 VanDerWaalsContact O-CG 3.23Å; S790-R794 WeakPolarHBondContact O-CG 3.47Å; R791-R794 PolarHBondContact O-N 3.07Å; R791-R794 VanDerWaalsContact O-N 3.13Å; L792-R794 VanDerWaalsContact C-N 3.3Å; L792-R794 PolarHBondContact O-N 2.99Å; R794-L797 PolarHBondContact O-N 3.4Å; R794-L798 WeakPolarHBondContact O-CB 3.17Å; R794-L798 PolarHBondContact O-N 2.81Å
795	Y	61.8	Low	60.3	Low	174 Å²	174	125.9 Å²	125.9	68%	0.682	62%	0.62	S	S	*	*	H	α-helix	trans	-64.6	-43.5	175.2	-69.5	-63.3	0	0	0	111.8	R791 L792 L797 L798 S799	R791-Y795 VanDerWaalsContact O-CD2 3.27Å; R791-Y795 WeakPolarHBondContact O-CD2 3.47Å; R791-Y795 PolarHBondContact O-N 2.94Å; L792-Y795 PolarHBondContact O-N 2.77Å; Y795-L797 PolarHBondContact O-N 2.86Å; Y795-L798 PolarHBondContact O-N 3.39Å; Y795-S799 PolarHBondContact O-N 3.32Å; Y795-S799 PolarHBondContact O-OG 2.76Å
796	A	63.1	Low	61.3	Low	49 Å²	49	120.6 Å²	120.6	41%	0.405	60%	0.603	S	S	.	*	H	α-helix	trans	-58.4	-46.3	174.6	0	0	0	0	0	112.3	L792 L798 S799 V800	L792-A796 PolarHBondContact O-N 3.05Å; A796-L798 VanDerWaalsContact C-N 3.33Å; A796-L798 PolarHBondContact O-N 2.77Å; A796-S799 PolarHBondContact O-N 3.12Å; A796-V800 WeakPolarHBondContact O-CG2 3.42Å; A796-V800 PolarHBondContact O-N 3.06Å
797	L	64.1	Low	61.7	Low	100 Å²	100	115.4 Å²	115.4	52%	0.524	59%	0.587	S	S	.	*	H	α-helix	trans	-62.8	-39.9	177.4	-154.7	96.1	0	0	0	111.7	M793 R794 Y795 V800 L801	M793-L797 WeakPolarHBondContact O-CB 3.38Å; M793-L797 PolarHBondContact O-N 2.97Å; R794-L797 PolarHBondContact O-N 3.4Å; Y795-L797 PolarHBondContact O-N 2.86Å; L797-V800 PolarHBondContact O-N 3.41Å; L797-L801 WeakPolarHBondContact O-CB 3.49Å; L797-L801 PolarHBondContact O-N 3.08Å
798	L	68.9	Low	62.3	Low	112 Å²	112	114.6 Å²	114.6	59%	0.586	58%	0.578	S	S	*	*	H	α-helix	trans	-69.4	-38.5	179.3	-140.3	149.1	0	0	0	111.5	R794 Y795 A796 L801 V802	R794-L798 WeakPolarHBondContact O-CB 3.17Å; R794-L798 PolarHBondContact O-N 2.81Å; Y795-L798 PolarHBondContact O-N 3.39Å; A796-L798 VanDerWaalsContact C-N 3.33Å; A796-L798 PolarHBondContact O-N 2.77Å; L798-L801 PolarHBondContact O-N 2.87Å; L798-V802 HydrophobicContact CD2-CG2 4.16Å; L798-V802 WeakPolarHBondContact O-CB 3.48Å; L798-V802 VanDerWaalsContact O-CG2 3.3Å; L798-V802 WeakPolarHBondContact O-CG2 3.46Å; L798-V802 PolarHBondContact O-N 3.11Å
799	S	64.4	Low	62.5	Low	73 Å²	73	114.1 Å²	114.1	51%	0.51	57%	0.568	S	S	.	*	H	α-helix	trans	-63.1	-43.1	171.7	-64.4	0	0	0	0	112.4	Y795 A796 V802 L803	Y795-S799 PolarHBondContact O-N 3.32Å; Y795-S799 PolarHBondContact O-OG 2.76Å; A796-S799 PolarHBondContact O-N 3.12Å; S799-V802 PolarHBondContact O-N 2.66Å; S799-L803 WeakPolarHBondContact O-CB 3.4Å; S799-L803 WeakPolarHBondContact O-CG 3.4Å; S799-L803 PolarHBondContact O-N 3.01Å
800	V	70.3	Confident	62.4	Low	95 Å²	95	114.4 Å²	114.4	58%	0.576	57%	0.569	S	S	*	*	H	α-helix	trans	-62.4	-44.2	174	170.4	0	0	0	0	110.8	A796 L797 V802 L803 W804	A796-V800 WeakPolarHBondContact O-CG2 3.42Å; A796-V800 PolarHBondContact O-N 3.06Å; L797-V800 PolarHBondContact O-N 3.41Å; V800-V802 PolarHBondContact O-N 2.91Å; V800-L803 PolarHBondContact O-N 3.24Å; V800-W804 WeakPolarHBondContact O-CB 3.41Å; V800-W804 PolarHBondContact O-N 3.02Å
801	L	69.4	Low	62	Low	98 Å²	98	115.3 Å²	115.3	51%	0.513	57%	0.571	S	S	.	*	H	α-helix	trans	-67.8	-36.2	-178.9	-147.9	159.4	0	0	0	111.9	L797 L798 W804 I805	L797-L801 WeakPolarHBondContact O-CB 3.49Å; L797-L801 PolarHBondContact O-N 3.08Å; L798-L801 PolarHBondContact O-N 2.87Å; L801-W804 PolarHBondContact O-N 2.95Å; L801-I805 HydrophobicContact CD2-CD1 3.71Å; L801-I805 HydrophobicContact CD2-CG1 4.28Å; L801-I805 WeakPolarHBondContact O-CG1 3.43Å; L801-I805 PolarHBondContact O-N 2.97Å
802	V	71.8	Confident	61.5	Low	76 Å²	76	109.2 Å²	109.2	46%	0.461	56%	0.56	S	S	.	*	H	α-helix	trans	-67	-43.8	171.7	168.7	0	0	0	0	111.6	L798 S799 V800 W804 I805 V806	L798-V802 HydrophobicContact CD2-CG2 4.16Å; L798-V802 WeakPolarHBondContact O-CB 3.48Å; L798-V802 VanDerWaalsContact O-CG2 3.3Å; L798-V802 WeakPolarHBondContact O-CG2 3.46Å; L798-V802 PolarHBondContact O-N 3.11Å; S799-V802 PolarHBondContact O-N 2.66Å; V800-V802 PolarHBondContact O-N 2.91Å; V802-W804 VanDerWaalsContact C-N 3.29Å; V802-W804 PolarHBondContact O-N 2.92Å; V802-I805 PolarHBondContact O-N 2.83Å; V802-V806 WeakPolarHBondContact O-CG2 3.33Å; V802-V806 PolarHBondContact O-N 2.68Å
803	L	65.6	Low	60.8	Low	118 Å²	118	110.3 Å²	110.3	62%	0.618	57%	0.566	S	S	*	*	H	α-helix	trans	-60	-40.4	173.6	-77.8	164.8	0	0	0	111.7	S799 V800 V806 E807	S799-L803 WeakPolarHBondContact O-CB 3.4Å; S799-L803 WeakPolarHBondContact O-CG 3.4Å; S799-L803 PolarHBondContact O-N 3.01Å; V800-L803 PolarHBondContact O-N 3.24Å; L803-V806 PolarHBondContact O-N 3.39Å; L803-E807 PolarHBondContact O-N 2.99Å
804	W	64.1	Low	60.1	Low	146 Å²	146	109.3 Å²	109.3	55%	0.553	57%	0.57	S	S	*	*	H	α-helix	trans	-66.1	-38	176.9	-140.3	65.2	0	0	0	112.3	V800 L801 V802 V806 L808	V800-W804 WeakPolarHBondContact O-CB 3.41Å; V800-W804 PolarHBondContact O-N 3.02Å; L801-W804 PolarHBondContact O-N 2.95Å; V802-W804 VanDerWaalsContact C-N 3.29Å; V802-W804 PolarHBondContact O-N 2.92Å; W804-V806 VanDerWaalsContact C-N 3.35Å; W804-L808 VanDerWaalsContact O-CB 3.28Å; W804-L808 WeakPolarHBondContact O-CB 3.34Å; W804-L808 PolarHBondContact O-N 3.09Å
805	I	68.3	Low	59.3	Low	84 Å²	84	104 Å²	104	43%	0.431	56%	0.562	S	S	.	*	H	α-helix	trans	-64.9	-38.4	171.6	-71.9	165.9	0	0	0	111.2	L801 V802 L808 L809	L801-I805 HydrophobicContact CD2-CD1 3.71Å; L801-I805 HydrophobicContact CD2-CG1 4.28Å; L801-I805 WeakPolarHBondContact O-CG1 3.43Å; L801-I805 PolarHBondContact O-N 2.97Å; V802-I805 PolarHBondContact O-N 2.83Å; I805-L808 PolarHBondContact O-N 2.92Å; I805-L809 HydrophobicContact CG2-CD1 3.92Å; I805-L809 HydrophobicContact CG2-CG 4.48Å; I805-L809 WeakPolarHBondContact O-CB 3.43Å; I805-L809 VanDerWaalsContact O-CG 3.28Å; I805-L809 WeakPolarHBondContact O-CG 3.46Å; I805-L809 PolarHBondContact O-N 2.85Å
806	V	65.7	Low	58.3	Low	83 Å²	83	104 Å²	104	50%	0.503	57%	0.573	S	S	.	*	H	α-helix	trans	-66.6	-44.1	176.6	170.8	0	0	0	0	111.5	V802 L803 W804 L809 F810	V802-V806 WeakPolarHBondContact O-CG2 3.33Å; V802-V806 PolarHBondContact O-N 2.68Å; L803-V806 PolarHBondContact O-N 3.39Å; W804-V806 VanDerWaalsContact C-N 3.35Å; V806-L809 PolarHBondContact O-N 3.22Å; V806-F810 WeakPolarHBondContact O-CB 3.48Å; V806-F810 PolarHBondContact O-N 3.02Å
807	E	54.3	Low	57.1	Low	116 Å²	116	109.7 Å²	109.7	54%	0.542	59%	0.591	S	S	.	*	H	α-helix	trans	-61.3	-45.4	171.1	-84	-160.6	134.1	0	0	111.8	L803 L809 F810 V811	L803-E807 PolarHBondContact O-N 2.99Å; E807-L809 VanDerWaalsContact C-N 3.28Å; E807-L809 PolarHBondContact O-N 3.09Å; E807-F810 PolarHBondContact O-N 2.69Å; E807-V811 WeakPolarHBondContact O-CG2 3.15Å; E807-V811 PolarHBondContact O-N 3.39Å
808	L	55.8	Low	55.9	Low	107 Å²	107	112.9 Å²	112.9	56%	0.56	61%	0.608	S	S	*	*	H	α-helix	trans	-60.6	-38.6	-179.7	-157.9	81.8	0	0	0	111.6	W804 I805 S812	W804-L808 VanDerWaalsContact O-CB 3.28Å; W804-L808 WeakPolarHBondContact O-CB 3.34Å; W804-L808 PolarHBondContact O-N 3.09Å; I805-L808 PolarHBondContact O-N 2.92Å; L808-S812 WeakPolarHBondContact O-CB 3.5Å; L808-S812 PolarHBondContact O-N 3.31Å
809	L	55.3	Low	54.4	Low	97 Å²	97	115.5 Å²	115.5	51%	0.508	62%	0.622	S	S	.	*	H	α-helix	trans	-69.1	-37.6	173.6	-74.1	167.5	0	0	0	112.5	I805 V806 E807 S812 N813	I805-L809 HydrophobicContact CG2-CD1 3.92Å; I805-L809 HydrophobicContact CG2-CG 4.48Å; I805-L809 WeakPolarHBondContact O-CB 3.43Å; I805-L809 VanDerWaalsContact O-CG 3.28Å; I805-L809 WeakPolarHBondContact O-CG 3.46Å; I805-L809 PolarHBondContact O-N 2.85Å; V806-L809 PolarHBondContact O-N 3.22Å; E807-L809 VanDerWaalsContact C-N 3.28Å; E807-L809 PolarHBondContact O-N 3.09Å; L809-S812 PolarHBondContact O-N 3.45Å; L809-N813 PolarHBondContact O-N 2.86Å
810	F	49.9	Very low	53.3	Low	162 Å²	162	117.7 Å²	117.7	71%	0.711	64%	0.636	S	S	*	*	H	α-helix	trans	-66.8	-40.9	177.5	-151.9	-90.8	0	0	0	111.8	V806 E807 S814	V806-F810 WeakPolarHBondContact O-CB 3.48Å; V806-F810 PolarHBondContact O-N 3.02Å; E807-F810 PolarHBondContact O-N 2.69Å; F810-S814 PolarHBondContact O-OG 3.38Å
811	V	50.7	Low	51.5	Low	100 Å²	100	116.3 Å²	116.3	61%	0.606	64%	0.641	S	S	*	*	H	α-helix	trans	-68.4	-40.9	172	175.4	0	0	0	0	111.1	E807 N813 S814	E807-V811 WeakPolarHBondContact O-CG2 3.15Å; E807-V811 PolarHBondContact O-N 3.39Å; V811-N813 PolarHBondContact O-N 2.86Å; V811-S814 WeakPolarHBondContact O-CB 3.5Å; V811-S814 PolarHBondContact O-N 2.98Å
812	S	47.6	Very low	50.1	Low	77 Å²	77	117.8 Å²	117.8	54%	0.538	65%	0.654	S	S	.	*	H	α-helix	trans	-63.6	-37.6	178.7	-171.6	0	0	0	0	113	L808 L809 S814 C815	L808-S812 WeakPolarHBondContact O-CB 3.5Å; L808-S812 PolarHBondContact O-N 3.31Å; L809-S812 PolarHBondContact O-N 3.45Å; S812-S814 PolarHBondContact O-N 3.3Å; S812-C815 PolarHBondContact O-N 3.35Å
813	N	43.7	Very low	47.9	Very low	146 Å²	146	123.4 Å²	123.4	78%	0.781	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-1	175.5	-78.7	-7.7	0	0	0	113.6	L809 V811	L809-N813 PolarHBondContact O-N 2.86Å; V811-N813 PolarHBondContact O-N 2.86Å
814	S	46.2	Very low	46.4	Very low	95 Å²	95	129.3 Å²	129.3	66%	0.664	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.6	5.9	-179.4	-54.7	0	0	0	0	113.4	F810 V811 S812	F810-S814 PolarHBondContact O-OG 3.38Å; V811-S814 WeakPolarHBondContact O-CB 3.5Å; V811-S814 PolarHBondContact O-N 2.98Å; S812-S814 PolarHBondContact O-N 3.3Å
815	C	44.2	Very low	44.8	Very low	77 Å²	77	131.3 Å²	131.3	52%	0.52	70%	0.698	S	S	.	*			trans	-141.4	99	-171.8	-164.1	0	0	0	0	112.9	S812 Q817	S812-C815 PolarHBondContact O-N 3.35Å; C815-Q817 VanDerWaalsContact C-N 3.31Å; C815-Q817 PolarHBondContact O-N 3.47Å
816	D	40.9	Very low	42.9	Very low	173 Å²	173	130.1 Å²	130.1	93%	0.925	71%	0.707	S	S	*	*			trans	-88.4	21.6	-166.3	-141.8	10.2	0	0	0	114.8
817	Q	37.9	Very low	41.3	Very low	168 Å²	168	131.4 Å²	131.4	79%	0.785	73%	0.727	S	S	*	*	S	Bend	trans	-142.6	129.2	173.5	-70.4	-165	-20.3	0	0	112.4	C815	C815-Q817 VanDerWaalsContact C-N 3.31Å; C815-Q817 PolarHBondContact O-N 3.47Å
818	L	39.5	Very low	40.1	Very low	168 Å²	168	131 Å²	131	88%	0.88	73%	0.728	S	S	*	*	S	Bend	trans	-65	147.6	170	-89.9	76.8	0	0	0	111.2
819	L	37.2	Very low	39	Very low	167 Å²	167	132.4 Å²	132.4	87%	0.874	74%	0.741	S	S	*	*	S	Bend	trans	68.8	96.5	178.5	-59.3	165.5	0	0	0	114.6	G821	L819-G821 VanDerWaalsContact C-N 3.3Å; L819-G821 PolarHBondContact O-N 3.04Å
820	C	41.1	Very low	38.1	Very low	119 Å²	119	135.4 Å²	135.4	80%	0.804	75%	0.75	S	S	*	*			trans	-60.8	88.3	162.8	-67.4	0	0	0	0	110.8	V822	C820-V822 PolarHBondContact O-N 2.9Å
821	G	32.4	Very low	37.7	Very low	66 Å²	66	129.3 Å²	129.3	68%	0.68	73%	0.728	S	S	*	*			trans	-62.1	117.3	178.2	0	0	0	0	0	111.5	L819 K823	L819-G821 VanDerWaalsContact C-N 3.3Å; L819-G821 PolarHBondContact O-N 3.04Å; G821-K823 PolarHBondContact O-N 3.13Å
822	V	39	Very low	37	Very low	129 Å²	129	130.9 Å²	130.9	78%	0.782	73%	0.729	S	S	*	*			trans	-70.3	77.4	-180	-173.9	0	0	0	0	110.6	C820 W824	C820-V822 PolarHBondContact O-N 2.9Å; V822-W824 PolarHBondContact O-N 3.05Å
823	K	27.1	Very low	36.6	Very low	194 Å²	194	130 Å²	130	84%	0.843	73%	0.726	S	S	*	*			trans	-75.1	107.8	165.5	-83.8	-173.7	175.2	176.2	0	109.1	G821 K825	G821-K823 PolarHBondContact O-N 3.13Å; K823-K825 VanDerWaalsContact C-N 3.35Å; K823-K825 PolarHBondContact O-N 3.13Å
824	W	33.3	Very low	36.4	Very low	242 Å²	242	125.8 Å²	125.8	92%	0.917	71%	0.708	S	S	*	*			trans	-58.4	96.9	161.2	-80.7	50.7	0	0	0	109.1	V822 G826	V822-W824 PolarHBondContact O-N 3.05Å; W824-G826 PolarHBondContact O-N 2.75Å
825	K	30.2	Very low	35.9	Very low	187 Å²	187	127.2 Å²	127.2	81%	0.813	70%	0.702	S	S	*	*			trans	-71.4	95.6	164.4	-94.2	-169.5	173.6	-177.1	0	108.1	K823	K823-K825 VanDerWaalsContact C-N 3.35Å; K823-K825 PolarHBondContact O-N 3.13Å
826	G	28.4	Very low	35.7	Very low	59 Å²	59	128.5 Å²	128.5	61%	0.608	70%	0.7	S	S	*	*			trans	-55.7	163.5	157.1	0	0	0	0	0	111	W824 D828	W824-G826 PolarHBondContact O-N 2.75Å; G826-D828 PolarHBondContact O-N 3.07Å
827	A	32.5	Very low	36	Very low	111 Å²	111	122 Å²	122	92%	0.917	67%	0.665	S	S	*	*	S	Bend	trans	-60.7	97.9	-167.5	0	0	0	0	0	114.2
828	D	30.1	Very low	36.1	Very low	107 Å²	107	122.6 Å²	122.6	57%	0.572	66%	0.66	S	S	*	*			trans	-133.8	28.2	-178.3	-156.5	13.9	0	0	0	114.2	G826 K830 S831	G826-D828 PolarHBondContact O-N 3.07Å; D828-K830 PolarHBondContact O-N 2.77Å; D828-S831 WeakPolarHBondContact O-CB 3.21Å; D828-S831 PolarHBondContact O-N 2.92Å
829	T	32.3	Very low	36.1	Very low	136 Å²	136	120.2 Å²	120.2	83%	0.834	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	4.8	171.9	44.9	0	0	0	0	114.2
830	K	35.7	Very low	36.5	Very low	160 Å²	160	117.5 Å²	117.5	70%	0.696	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-10.7	173.7	-65	179.4	177.7	172.8	0	113.2	D828 S834	D828-K830 PolarHBondContact O-N 2.77Å; K830-S834 PolarHBondContact O-OG 2.99Å
831	S	41.3	Very low	36.6	Very low	34 Å²	34	115.2 Å²	115.2	24%	0.238	60%	0.604	C	S	.	*	H	α-helix	trans	-81.1	-40.6	-169.9	-159.2	0	0	0	0	114.3	D828 S834 K835	D828-S831 WeakPolarHBondContact O-CB 3.21Å; D828-S831 PolarHBondContact O-N 2.92Å; S831-S834 PolarHBondContact O-OG 3.18Å; S831-S834 VanDerWaalsContact O-OG 3.08Å; S831-K835 WeakPolarHBondContact O-CG 3.4Å; S831-K835 PolarHBondContact O-N 3.49Å
832	E	37.1	Very low	37	Very low	134 Å²	134	119.5 Å²	119.5	63%	0.626	61%	0.607	S	S	*	*	H	α-helix	trans	-79.6	-43.2	-169.9	-77.5	162.7	165.5	0	0	113.4	S834 K835 Q836	E832-S834 VanDerWaalsContact C-N 3.3Å; E832-S834 PolarHBondContact O-N 3.33Å; E832-K835 PolarHBondContact O-N 2.76Å; E832-K835 VanDerWaalsContact O-N 3.13Å; E832-Q836 PolarHBondContact O-N 3.43Å
833	A	38.8	Very low	37.6	Very low	58 Å²	58	120.2 Å²	120.2	48%	0.479	60%	0.601	S	S	.	*	H	α-helix	trans	-59.9	-39.5	174.8	0	0	0	0	0	112.2	Q836 I837	A833-Q836 PolarHBondContact O-N 3.16Å; A833-I837 WeakPolarHBondContact O-CG1 3.33Å; A833-I837 PolarHBondContact O-N 2.96Å
834	S	39.5	Very low	39.3	Very low	57 Å²	57	118.8 Å²	118.8	40%	0.399	59%	0.59	S	S	.	*	H	α-helix	trans	-71.9	-27.1	177.4	59.1	0	0	0	0	113.2	K830 S831 E832 R838	K830-S834 PolarHBondContact O-OG 2.99Å; S831-S834 PolarHBondContact O-OG 3.18Å; S831-S834 VanDerWaalsContact O-OG 3.08Å; E832-S834 VanDerWaalsContact C-N 3.3Å; E832-S834 PolarHBondContact O-N 3.33Å; S834-R838 WeakPolarHBondContact O-CB 3.29Å; S834-R838 VanDerWaalsContact O-CG 3.3Å; S834-R838 WeakPolarHBondContact O-CG 3.47Å; S834-R838 PolarHBondContact O-N 3.3Å; S834-R838 VanDerWaalsContact O-N 3.16Å
835	K	36.1	Very low	41.1	Very low	126 Å²	126	110.9 Å²	110.9	55%	0.548	57%	0.565	S	S	.	*	H	α-helix	trans	-71.5	-40.8	169.2	-75	172.1	-177.7	174.2	0	112.7	S831 E832 R838 L839	S831-K835 WeakPolarHBondContact O-CG 3.4Å; S831-K835 PolarHBondContact O-N 3.49Å; E832-K835 PolarHBondContact O-N 2.76Å; E832-K835 VanDerWaalsContact O-N 3.13Å; K835-R838 PolarHBondContact O-N 3.39Å; K835-L839 PolarHBondContact O-N 2.9Å; K835-L839 VanDerWaalsContact O-N 3.07Å
836	Q	40.2	Very low	43.5	Very low	103 Å²	103	104.4 Å²	104.4	48%	0.481	54%	0.543	S	S	.	.	H	α-helix	trans	-68.2	-39.2	176.3	-80.5	-174.7	-38.3	0	0	112.5	E832 A833 R838 L839 Y840	E832-Q836 PolarHBondContact O-N 3.43Å; A833-Q836 PolarHBondContact O-N 3.16Å; Q836-R838 VanDerWaalsContact C-N 3.34Å; Q836-R838 PolarHBondContact O-N 3.09Å; Q836-L839 PolarHBondContact O-N 2.79Å; Q836-Y840 PolarHBondContact O-N 3.41Å
837	I	46.8	Very low	46.5	Very low	37 Å²	37	102.7 Å²	102.7	19%	0.19	52%	0.52	C	S	.	.	H	α-helix	trans	-58.9	-46.4	171.1	-69.4	166.3	0	0	0	110.2	A833 L839 Y840 E841	A833-I837 WeakPolarHBondContact O-CG1 3.33Å; A833-I837 PolarHBondContact O-N 2.96Å; I837-L839 VanDerWaalsContact C-N 3.27Å; I837-L839 PolarHBondContact O-N 3Å; I837-Y840 CarbonylContact O-C 3.48Å; I837-Y840 PolarHBondContact O-N 2.73Å; I837-E841 HydrophobicContact CG2-CG 4.18Å; I837-E841 WeakPolarHBondContact O-CG 3.39Å; I837-E841 PolarHBondContact O-N 2.99Å
838	R	40.6	Very low	49.4	Very low	180 Å²	180	97.5 Å²	97.5	68%	0.679	48%	0.477	S	S	*	.	H	α-helix	trans	-60.8	-29.2	176.6	-79.9	177	176.2	-152.1	0.4	114.8	S834 K835 Q836	S834-R838 WeakPolarHBondContact O-CB 3.29Å; S834-R838 VanDerWaalsContact O-CG 3.3Å; S834-R838 WeakPolarHBondContact O-CG 3.47Å; S834-R838 PolarHBondContact O-N 3.3Å; S834-R838 VanDerWaalsContact O-N 3.16Å; K835-R838 PolarHBondContact O-N 3.39Å; Q836-R838 VanDerWaalsContact C-N 3.34Å; Q836-R838 PolarHBondContact O-N 3.09Å
839	L	37.8	Very low	52.5	Low	119 Å²	119	92.8 Å²	92.8	62%	0.623	45%	0.451	S	S	*	.	H	α-helix	trans	-71.7	-35.7	173.1	-97.4	153.6	0	0	0	112	K835 Q836 I837	K835-L839 PolarHBondContact O-N 2.9Å; K835-L839 VanDerWaalsContact O-N 3.07Å; Q836-L839 PolarHBondContact O-N 2.79Å; I837-L839 VanDerWaalsContact C-N 3.27Å; I837-L839 PolarHBondContact O-N 3Å
840	Y	46.3	Very low	55.5	Low	109 Å²	109	86.3 Å²	86.3	43%	0.427	41%	0.412	S	S	.	.	H	α-helix	trans	-78.8	-24.6	172.1	-84.9	-91.5	0	0	0	113.6	Q836 I837 Q842 H843	Q836-Y840 PolarHBondContact O-N 3.41Å; I837-Y840 CarbonylContact O-C 3.48Å; I837-Y840 PolarHBondContact O-N 2.73Å; Y840-Q842 PolarHBondContact O-N 3.41Å; Y840-Q842 VanDerWaalsContact O-N 3.08Å; Y840-H843 PolarHBondContact O-N 3.49Å
841	E	43.3	Very low	58.4	Low	71 Å²	71	78.8 Å²	78.8	33%	0.332	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-10	175.7	-79.6	-171.8	132.7	0	0	114.1	K730 I837 H843	K730-E841 IonicContact NZ-OE1 3.06Å; K730-E841 PolarHBondContact NZ-OE1 2.65Å; I837-E841 HydrophobicContact CG2-CG 4.18Å; I837-E841 WeakPolarHBondContact O-CG 3.39Å; I837-E841 PolarHBondContact O-N 2.99Å; E841-H843 VanDerWaalsContact C-N 3.27Å; E841-H843 PolarHBondContact O-N 2.79Å
842	Q	41.4	Very low	61	Low	157 Å²	157	77.2 Å²	77.2	73%	0.734	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-20.2	176.7	-71.2	-167.9	-41.1	0	0	114	Y840 R844	Y840-Q842 PolarHBondContact O-N 3.41Å; Y840-Q842 VanDerWaalsContact O-N 3.08Å; Q842-R844 PolarHBondContact O-N 3.11Å
843	H	51.2	Low	63.6	Low	144 Å²	144	70.8 Å²	70.8	67%	0.667	34%	0.338	S	S	*	.			trans	-78.1	69	170	-73.6	82.2	0	0	0	111.1	Y840 E841	Y840-H843 PolarHBondContact O-N 3.49Å; E841-H843 VanDerWaalsContact C-N 3.27Å; E841-H843 PolarHBondContact O-N 2.79Å
844	R	62.2	Low	66	Low	164 Å²	164	68.1 Å²	68.1	62%	0.619	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-69.7	126.4	164.1	-68.6	-178	177.1	-178.3	-2.3	108.6	Q842	Q842-R844 PolarHBondContact O-N 3.11Å
845	L	70.8	Confident	68.3	Low	75 Å²	75	65.7 Å²	65.7	39%	0.393	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-73.3	122.5	171.3	-66.5	173.3	0	0	0	108.3	L720 G724 F725 L742	L720-L845 WeakPolarHBondContact CD1-O 3.1Å; G724-L845 PolarHBondContact O-N 2.94Å; F725-L845 HydrophobicContact CB-CB 4.37Å; F725-L845 HydrophobicContact CB-CD1 4.11Å; L742-L845 HydrophobicContact CD1-CD1 3.55Å
846	P	82	Confident	70.4	Confident	52 Å²	52	60.9 Å²	60.9	34%	0.338	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-63.6	150	176.3	28.5	-34.4	0	0	0	110	I1017	P846-I1017 HydrophobicContact CG-CD1 4.45Å; P846-I1017 HydrophobicContact CG-CG1 4.45Å
847	L	90.8	Very high	72.2	Confident	23 Å²	23	56.8 Å²	56.8	12%	0.12	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-75	142.7	175	-63.3	179.5	0	0	0	110.3	I716 L720 Q994 S1018	I716-L847 HydrophobicContact CD1-CD2 3.95Å; I716-L847 HydrophobicContact CG1-CD1 4.02Å; I716-L847 HydrophobicContact CG1-CD2 3.76Å; I716-L847 HydrophobicContact CG2-CD1 4.18Å; L720-L847 HydrophobicContact CB-CD1 4.38Å; L720-L847 HydrophobicContact CB-CD2 4.33Å; L720-L847 HydrophobicContact CB-CG 4.46Å; L720-L847 HydrophobicContact CD1-CD2 4.39Å; L720-L847 HydrophobicContact CD2-CD1 4.24Å; L720-L847 HydrophobicContact CD2-CG 4.08Å; L847-Q994 VanDerWaalsContact CB-CD 3.5Å; L847-Q994 HydrophobicContact CB-CG 3.92Å; L847-Q994 VanDerWaalsContact CB-OE1 3.23Å; L847-Q994 HydrophobicContact CD1-CG 4.44Å; L847-S1018 VanDerWaalsContact O-CB 3.23Å; L847-S1018 WeakPolarHBondContact O-CB 3.38Å
848	P	93.5	Very high	74.1	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.013	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-80.9	123.6	-168.8	32.6	-38.6	0	0	0	112.6	V850 F873 Q994 S1018 R1020 L1137 V1139	P848-V850 HydrophobicContact CB-CG2 4.2Å; P848-F873 HydrophobicContact CG-CE1 4.06Å; P848-F873 HydrophobicContact CG-CZ 4.39Å; P848-Q994 WeakPolarHBondContact O-CB 3.11Å; P848-S1018 CarbonylContact C-O 3.6Å; P848-S1018 WeakPolarHBondContact CA-O 3.33Å; P848-R1020 HydrophobicContact CB-CB 4.24Å; P848-R1020 HydrophobicContact CB-CG 3.65Å; P848-L1137 HydrophobicContact CB-CB 4.44Å; P848-L1137 HydrophobicContact CB-CD2 4.13Å; P848-L1137 HydrophobicContact CG-CB 4.26Å; P848-L1137 VanDerWaalsContact CG-O 3.28Å; P848-L1137 WeakPolarHBondContact CG-O 3.41Å; P848-V1139 HydrophobicContact CG-CG2 3.79Å
849	T	94.8	Very high	76.3	Confident	7 Å²	7	46.8 Å²	46.8	4%	0.043	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	110.6	160.1	-60.9	0	0	0	0	108.2	V922 V1015 S1018 R1020	T849-V922 HydrophobicContact CG2-CB 4.34Å; T849-V922 HydrophobicContact CG2-CG1 3.59Å; T849-V922 HydrophobicContact CG2-CG2 3.75Å; T849-V1015 HydrophobicContact CG2-CG1 3.82Å; T849-S1018 PolarHBondContact N-O 3.05Å; T849-R1020 PolarHBondContact O-N 2.92Å
850	V	96.1	Very high	78.7	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	131.6	-169.9	-169	0	0	0	0	110.6	P848 I852 F873 V995 V996 L997 R1020 V1022 L1137	P848-V850 HydrophobicContact CB-CG2 4.2Å; V850-I852 HydrophobicContact CG1-CG1 4.28Å; V850-F873 HydrophobicContact CG2-CE1 4.1Å; V850-V995 PolarHBondContact N-O 3.14Å; V850-V996 HydrophobicContact CB-CB 4.25Å; V850-V996 HydrophobicContact CB-CG1 4.03Å; V850-V996 HydrophobicContact CB-CG2 3.98Å; V850-V996 HydrophobicContact CG1-CG1 4.13Å; V850-V996 HydrophobicContact CG2-CG2 4.06Å; V850-V996 WeakPolarHBondContact O-CA 3.33Å; V850-L997 PolarHBondContact O-N 3.01Å; V850-R1020 WeakPolarHBondContact CA-O 3.48Å; V850-V1022 HydrophobicContact CG1-CG2 4.23Å; V850-L1137 HydrophobicContact CG1-CD2 4.18Å; V850-L1137 HydrophobicContact CG2-CD1 4.12Å; V850-L1137 HydrophobicContact CG2-CD2 3.61Å
851	V	95.6	Very high	80.7	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	106.6	174.5	-177.8	0	0	0	0	109.2	T853 L997 M999 L1008 I1011 L1019 R1020 A1021 V1022	V851-T853 HydrophobicContact CG1-CG2 3.95Å; V851-L997 CarbonylContact C-O 3.57Å; V851-L997 WeakPolarHBondContact CA-O 3.42Å; V851-L997 HydrophobicContact CG2-CB 4.45Å; V851-L997 HydrophobicContact CG2-CD1 4.35Å; V851-M999 HydrophobicContact CG1-CG 3.88Å; V851-L1008 HydrophobicContact CG1-CD2 4.44Å; V851-I1011 HydrophobicContact CG2-CG2 4.34Å; V851-L1019 HydrophobicContact CB-CD1 4.12Å; V851-L1019 HydrophobicContact CG2-CD1 3.54Å; V851-R1020 PolarHBondContact N-O 2.97Å; V851-A1021 CarbonylContact O-C 3.54Å; V851-A1021 VanDerWaalsContact O-CA 3.32Å; V851-A1021 WeakPolarHBondContact O-CA 3.31Å; V851-V1022 PolarHBondContact O-N 3.32Å
852	I	95.3	Very high	82.9	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	124.5	175.6	-52.4	174.3	0	0	0	107.8	V850 L863 F867 Y875 V996 L997 N998 M999 V1022	V850-I852 HydrophobicContact CG1-CG1 4.28Å; I852-L863 HydrophobicContact CD1-CB 4.01Å; I852-L863 HydrophobicContact CD1-CD1 4.31Å; I852-L863 HydrophobicContact CG2-CD1 3.97Å; I852-F867 HydrophobicContact CD1-CD2 4.27Å; I852-F867 HydrophobicContact CD1-CE2 3.92Å; I852-Y875 HydrophobicContact CD1-CE2 4.32Å; I852-V996 HydrophobicContact CD1-CG1 3.9Å; I852-V996 HydrophobicContact CG1-CG1 4.31Å; I852-L997 PolarHBondContact N-O 3.03Å; I852-N998 HydrophobicContact CB-CB 4.36Å; I852-M999 PolarHBondContact O-N 2.98Å; I852-V1022 WeakPolarHBondContact CA-O 3.38Å; I852-V1022 HydrophobicContact CG1-CB 4.42Å
853	T	92.8	Very high	85.4	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.9	173	73.8	0	0	0	0	110.6	V851 M999 W1004 T1005 L1008 V1022 Y1023 L1024	V851-T853 HydrophobicContact CG1-CG2 3.95Å; T853-M999 HydrophobicContact CG2-CB 4.32Å; T853-M999 HydrophobicContact CG2-CG 4.45Å; T853-W1004 HydrophobicContact CG2-CB 4.18Å; T853-T1005 WeakPolarHBondContact CB-OG1 3.4Å; T853-T1005 PolarHBondContact OG1-OG1 3.11Å; T853-L1008 HydrophobicContact CG2-CD2 4.13Å; T853-V1022 PolarHBondContact N-O 3.02Å; T853-Y1023 WeakPolarHBondContact O-CA 3.43Å; T853-L1024 PolarHBondContact O-N 3.14Å
854	A	89.9	Confident	87.3	Confident	2 Å²	2	22.6 Å²	22.6	2%	0.017	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	165.8	178.9	0	0	0	0	0	110.3	G1002 L1024	A854-G1002 WeakPolarHBondContact O-CA 3.26Å; A854-L1024 HydrophobicContact CB-CB 4.14Å; A854-L1024 WeakPolarHBondContact CB-O 3.38Å
855	L	86.5	Confident	88.7	Confident	6 Å²	6	16.8 Å²	16.8	3%	0.031	9%	0.093	C	C	.	.			trans	-66.2	145.1	160.3	-81.4	171.1	0	0	0	110	G857 S858 W1031 W1095 H1098	L855-G857 PolarHBondContact O-N 3.22Å; L855-S858 WeakPolarHBondContact O-CB 3.39Å; L855-S858 PolarHBondContact O-N 3.46Å; L855-S858 PolarHBondContact O-OG 3.5Å; L855-W1031 HydrophobicContact CB-CZ2 4.36Å; L855-W1031 HydrophobicContact CD1-CZ2 4.3Å; L855-W1095 HydrophobicContact CD1-CG 4.31Å; L855-H1098 HydrophobicContact CD1-CB 4.36Å; L855-H1098 HydrophobicContact CD2-CB 4.05Å; L855-H1098 HydrophobicContact CG-CB 4.49Å
856	P	80.4	Confident	89.7	Confident	24 Å²	24	13.2 Å²	13.2	16%	0.156	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	133.5	175	-18.1	26.5	0	0	0	110.8	S858 L895 W1031 M1035	P856-S858 VanDerWaalsContact C-N 3.32Å; P856-L895 HydrophobicContact CG-CD2 4.37Å; P856-L895 HydrophobicContact CG-CG 4.21Å; P856-W1031 PolarHBondContact O-NE1 3.41Å; P856-M1035 WeakPolarHBondContact O-CE 3.29Å
857	G	79.3	Confident	90.2	Very high	18 Å²	18	10.9 Å²	10.9	19%	0.186	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	2.7	-175.9	0	0	0	0	0	115.2	L855 G859 R1026	L855-G857 PolarHBondContact O-N 3.22Å; G857-G859 PolarHBondContact O-N 2.96Å; G857-R1026 PolarHBondContact O-NH1 3.3Å; G857-R1026 VanDerWaalsContact O-NH1 3.1Å
858	S	85.4	Confident	89.9	Confident	3 Å²	3	14 Å²	14	2%	0.021	7%	0.07	C	C	.	.	S	Bend	trans	-75.2	-2	169.9	-66.9	0	0	0	0	114.4	L855 P856 F1119	L855-S858 WeakPolarHBondContact O-CB 3.39Å; L855-S858 PolarHBondContact O-N 3.46Å; L855-S858 PolarHBondContact O-OG 3.5Å; P856-S858 VanDerWaalsContact C-N 3.32Å; S858-F1119 WeakPolarHBondContact O-CD2 3.27Å; S858-F1119 WeakPolarHBondContact O-CG 3.37Å
859	G	87.2	Confident	89.4	Confident	3 Å²	3	20.6 Å²	20.6	3%	0.031	11%	0.105	C	C	.	.			trans	83	24.5	173	0	0	0	0	0	115.8	G857 E861 I862	G857-G859 PolarHBondContact O-N 2.96Å; G859-E861 PolarHBondContact O-N 2.78Å; G859-I862 VanDerWaalsContact O-CG2 3.28Å; G859-I862 WeakPolarHBondContact O-CG2 3.17Å; G859-I862 PolarHBondContact O-N 2.95Å
860	S	89	Confident	89.1	Confident	6 Å²	6	21 Å²	21	4%	0.042	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-60.6	-19.3	-178.5	71.6	0	0	0	0	114	I862 L863 N998	S860-I862 PolarHBondContact O-N 2.91Å; S860-L863 PolarHBondContact O-N 2.98Å; S860-N998 PolarHBondContact O-ND2 3.07Å; S860-N998 PolarHBondContact OG-ND2 3.31Å; S860-N998 VanDerWaalsContact OG-ND2 3.15Å; S860-N998 PolarHBondContact OG-OD1 3.01Å
861	E	87.8	Confident	89	Confident	41 Å²	41	22.4 Å²	22.4	19%	0.192	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-53.4	-31.4	170.7	-73.2	80	-177.1	0	0	113.8	G859 L863 K864 R1000 L1160	G859-E861 PolarHBondContact O-N 2.78Å; E861-L863 PolarHBondContact O-N 2.94Å; E861-K864 WeakPolarHBondContact O-CB 3.39Å; E861-K864 PolarHBondContact O-N 3.13Å; E861-R1000 IonicContact OE1-CZ 3.31Å; E861-R1000 IonicContact OE1-NE 3.43Å; E861-R1000 PolarHBondContact OE1-NE 3.29Å; E861-R1000 IonicContact OE1-NH2 3.39Å; E861-R1000 PolarHBondContact OE1-NH2 2.73Å; E861-L1160 HydrophobicContact CB-CD2 3.78Å
862	I	89.9	Confident	88.9	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-64.7	-27.6	-178.2	-154.3	175	0	0	0	112.2	G859 S860 K864 Y865 F1119 V1122 V1123 L1149 T1153 I1166	G859-I862 VanDerWaalsContact O-CG2 3.28Å; G859-I862 WeakPolarHBondContact O-CG2 3.17Å; G859-I862 PolarHBondContact O-N 2.95Å; S860-I862 PolarHBondContact O-N 2.91Å; I862-K864 PolarHBondContact O-N 2.89Å; I862-K864 VanDerWaalsContact O-N 3.16Å; I862-Y865 WeakPolarHBondContact O-CD2 3.27Å; I862-Y865 PolarHBondContact O-N 3.23Å; I862-F1119 HydrophobicContact CD1-CE2 4.36Å; I862-F1119 HydrophobicContact CG2-CD2 4.33Å; I862-F1119 HydrophobicContact CG2-CE2 4.13Å; I862-V1122 HydrophobicContact CD1-CG1 4.43Å; I862-V1122 HydrophobicContact CG2-CG1 3.84Å; I862-V1123 HydrophobicContact CD1-CG2 4.11Å; I862-L1149 HydrophobicContact CG1-CD1 4.28Å; I862-T1153 HydrophobicContact CD1-CG2 3.53Å; I862-T1153 HydrophobicContact CG1-CG2 4.34Å; I862-I1166 HydrophobicContact CD1-CD1 3.58Å; I862-I1166 HydrophobicContact CD1-CG2 4.46Å; I862-I1166 HydrophobicContact CG1-CD1 4.21Å
863	L	92.2	Very high	88.9	Confident	1 Å²	1	22.6 Å²	22.6	1%	0.005	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-69.7	-9.7	176.8	-61.4	-179.9	0	0	0	112.7	I852 S860 E861 Y865 L866 F867 V1022 L1024 V1122 I1133	I852-L863 HydrophobicContact CD1-CB 4.01Å; I852-L863 HydrophobicContact CD1-CD1 4.31Å; I852-L863 HydrophobicContact CG2-CD1 3.97Å; S860-L863 PolarHBondContact O-N 2.98Å; E861-L863 PolarHBondContact O-N 2.94Å; L863-Y865 PolarHBondContact O-N 2.78Å; L863-Y865 VanDerWaalsContact O-N 3.17Å; L863-L866 HydrophobicContact CD2-CD1 4.44Å; L863-L866 PolarHBondContact O-N 2.92Å; L863-F867 WeakPolarHBondContact O-CD2 3.41Å; L863-V1022 HydrophobicContact CD1-CG1 4.26Å; L863-L1024 HydrophobicContact CD1-CD2 4.48Å; L863-V1122 HydrophobicContact CD2-CG1 4.21Å; L863-V1122 HydrophobicContact CD2-CG2 4.06Å; L863-I1133 HydrophobicContact CD2-CD1 3.99Å
864	K	91.9	Very high	89	Confident	44 Å²	44	22.8 Å²	22.8	19%	0.191	12%	0.119	C	C	.	.	H	α-helix	trans	-49.2	-40.2	171.1	179.5	-176.1	-178.6	-146.3	0	111.8	E861 I862 L866 F867 Y868 Y875	E861-K864 WeakPolarHBondContact O-CB 3.39Å; E861-K864 PolarHBondContact O-N 3.13Å; I862-K864 PolarHBondContact O-N 2.89Å; I862-K864 VanDerWaalsContact O-N 3.16Å; K864-L866 PolarHBondContact O-N 3.27Å; K864-L866 VanDerWaalsContact O-N 3.16Å; K864-F867 PolarHBondContact O-N 3Å; K864-Y868 HydrophobicContact CD-CG 4.35Å; K864-Y868 HydrophobicContact CG-CG 4.22Å; K864-Y868 VanDerWaalsContact NZ-CZ 3.3Å; K864-Y868 VanDerWaalsContact O-CB 3.28Å; K864-Y868 WeakPolarHBondContact O-CB 3.37Å; K864-Y868 PolarHBondContact O-N 3.07Å; K864-Y875 HydrophobicContact CB-CD1 4.36Å; K864-Y875 HydrophobicContact CB-CE1 3.77Å; K864-Y875 HydrophobicContact CB-CE2 4.25Å; K864-Y875 HydrophobicContact CD-CD1 4.39Å; K864-Y875 HydrophobicContact CD-CE1 4.1Å; K864-Y875 HydrophobicContact CG-CD1 3.81Å; K864-Y875 HydrophobicContact CG-CE1 3.61Å; K864-Y875 HydrophobicContact CG-CG 4.39Å
865	Y	90.9	Very high	89.2	Confident	42 Å²	42	23.1 Å²	23.1	17%	0.165	12%	0.12	C	C	.	.	H	α-helix	trans	-70	-10.7	-170.7	-65.6	-77.6	0	0	0	114.5	I862 L863 Q1148 T1152 Y1158	I862-Y865 WeakPolarHBondContact O-CD2 3.27Å; I862-Y865 PolarHBondContact O-N 3.23Å; L863-Y865 PolarHBondContact O-N 2.78Å; L863-Y865 VanDerWaalsContact O-N 3.17Å; Y865-Q1148 HydrophobicContact CD1-CB 4.13Å; Y865-T1152 HydrophobicContact CD1-CG2 4.19Å; Y865-T1152 HydrophobicContact CD2-CG2 4.04Å; Y865-T1152 HydrophobicContact CE1-CG2 3.94Å; Y865-T1152 HydrophobicContact CE2-CG2 3.82Å; Y865-T1152 HydrophobicContact CG-CG2 4.25Å; Y865-Y1158 HydrophobicContact CE2-CE1 4.11Å; Y865-Y1158 HydrophobicContact CE2-CE2 4.06Å; Y865-Y1158 AromaticContact CE2-CZ 3.73Å; Y865-Y1158 AromaticContact CZ-CE2 3.93Å; Y865-Y1158 WeakPolarHBondContact OH-CE2 3.43Å
866	L	92.2	Very high	89.4	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-82.8	-24.7	169.6	-61.9	179.1	0	0	0	113.5	L863 K864 N870 A1130 I1133 L1149	L863-L866 HydrophobicContact CD2-CD1 4.44Å; L863-L866 PolarHBondContact O-N 2.92Å; K864-L866 PolarHBondContact O-N 3.27Å; K864-L866 VanDerWaalsContact O-N 3.16Å; L866-N870 PolarHBondContact O-ND2 3.48Å; L866-A1130 HydrophobicContact CD1-CB 4.41Å; L866-A1130 HydrophobicContact CD2-CB 3.74Å; L866-I1133 HydrophobicContact CD1-CB 4.41Å; L866-I1133 HydrophobicContact CD1-CD1 3.87Å; L866-I1133 HydrophobicContact CD1-CG2 4.14Å; L866-L1149 HydrophobicContact CD2-CB 4.39Å; L866-L1149 HydrophobicContact CD2-CD2 4.02Å; L866-L1149 HydrophobicContact CG-CD2 4.46Å
867	F	92.7	Very high	89.8	Confident	3 Å²	3	24.2 Å²	24.2	1%	0.013	12%	0.12	C	C	.	.	H	α-helix	trans	-121.3	-11	-165.4	-53.3	-62.4	0	0	0	114.6	I852 L863 K864 F873 Y875 V996 I1133 L1137	I852-F867 HydrophobicContact CD1-CD2 4.27Å; I852-F867 HydrophobicContact CD1-CE2 3.92Å; L863-F867 WeakPolarHBondContact O-CD2 3.41Å; K864-F867 PolarHBondContact O-N 3Å; F867-F873 HydrophobicContact CB-CB 4.18Å; F867-F873 HydrophobicContact CD1-CB 4.29Å; F867-F873 HydrophobicContact CD1-CD1 4.12Å; F867-F873 AromaticContact CD1-CD2 3.78Å; F867-F873 HydrophobicContact CD1-CD2 3.78Å; F867-F873 HydrophobicContact CD1-CE1 4.4Å; F867-F873 HydrophobicContact CD1-CE2 4.1Å; F867-F873 AromaticContact CD1-CG 3.8Å; F867-F873 HydrophobicContact CD1-CG 3.8Å; F867-F873 HydrophobicContact CD1-CZ 4.39Å; F867-F873 HydrophobicContact CE1-CD2 4.45Å; F867-F873 HydrophobicContact CE1-CE1 4.46Å; F867-F873 HydrophobicContact CE1-CE2 4.32Å; F867-F873 HydrophobicContact CE1-CZ 4.32Å; F867-Y875 HydrophobicContact CB-CD2 4.06Å; F867-Y875 HydrophobicContact CD2-CD2 4.32Å; F867-V996 HydrophobicContact CB-CB 4.43Å; F867-V996 HydrophobicContact CB-CG1 4.38Å; F867-V996 HydrophobicContact CB-CG2 4.08Å; F867-V996 HydrophobicContact CD1-CG1 4.49Å; F867-V996 HydrophobicContact CD1-CG2 3.82Å; F867-V996 HydrophobicContact CD2-CG1 3.78Å; F867-V996 HydrophobicContact CE1-CG2 4.43Å; F867-V996 HydrophobicContact CE2-CG1 4.18Å; F867-V996 HydrophobicContact CG-CB 4.35Å; F867-V996 HydrophobicContact CG-CG1 3.95Å; F867-V996 HydrophobicContact CG-CG2 3.88Å; F867-I1133 HydrophobicContact CZ-CG2 4.21Å; F867-L1137 HydrophobicContact CE1-CD1 3.53Å; F867-L1137 HydrophobicContact CZ-CD1 3.85Å
868	Y	85.2	Confident	90.2	Very high	88 Å²	88	23.4 Å²	23.4	35%	0.345	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	145.6	-177.2	-178.3	-116	0	0	0	112.1	K864 N870 E982	K864-Y868 HydrophobicContact CD-CG 4.35Å; K864-Y868 HydrophobicContact CG-CG 4.22Å; K864-Y868 VanDerWaalsContact NZ-CZ 3.3Å; K864-Y868 VanDerWaalsContact O-CB 3.28Å; K864-Y868 WeakPolarHBondContact O-CB 3.37Å; K864-Y868 PolarHBondContact O-N 3.07Å; Y868-N870 PolarHBondContact O-N 2.82Å; Y868-E982 WeakPolarHBondContact CE2-OE1 3.31Å; Y868-E982 PolarHBondContact OH-OE1 3.37Å
869	N	82.8	Confident	89.8	Confident	142 Å²	142	25.6 Å²	25.6	76%	0.759	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	41.8	-173.9	-162.9	19.3	0	0	0	112.8
870	N	88.6	Confident	89.5	Confident	16 Å²	16	26.2 Å²	26.2	9%	0.086	13%	0.129	C	C	.	.			trans	-125.5	131	-172.7	-173.3	-22.7	0	0	0	109.3	L866 Y868 D872 F873 H986	L866-N870 PolarHBondContact O-ND2 3.48Å; Y868-N870 PolarHBondContact O-N 2.82Å; N870-D872 PolarHBondContact O-N 2.89Å; N870-D872 VanDerWaalsContact O-N 3.15Å; N870-D872 WeakPolarHBondContact OD1-CB 3.4Å; N870-D872 PolarHBondContact OD1-N 3.45Å; N870-D872 PolarHBondContact OD1-OD1 3Å; N870-F873 PolarHBondContact O-N 2.86Å; N870-F873 VanDerWaalsContact O-O 3.05Å; N870-H986 PolarHBondContact O-CE1 3.49Å; N870-H986 PolarHBondContact O-NE2 3.45Å
871	S	92.9	Very high	88.9	Confident	28 Å²	28	31 Å²	31	20%	0.196	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-22.7	179.2	44.3	0	0	0	0	114.2	Y990	S871-Y990 VanDerWaalsContact CB-CD1 3.48Å
872	D	94.6	Very high	88.5	Confident	7 Å²	7	31 Å²	31	4%	0.037	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-21.7	-166.6	-64.6	30	0	0	0	112	I716 R719 N870 Q994 V1139	I716-D872 HydrophobicContact CD1-CB 4.14Å; R719-D872 IonicContact CZ-OD1 2.77Å; R719-D872 IonicContact CZ-OD2 3.85Å; R719-D872 IonicContact NH1-OD1 2.72Å; R719-D872 IonicContact NH1-OD2 3.45Å; R719-D872 PolarHBondContact NH1-OD2 3.49Å; R719-D872 IonicContact NH2-OD1 2.67Å; R719-D872 PolarHBondContact NH2-OD1 2.89Å; R719-D872 IonicContact NH2-OD2 3.08Å; R719-D872 PolarHBondContact NH2-OD2 3.23Å; N870-D872 PolarHBondContact O-N 2.89Å; N870-D872 VanDerWaalsContact O-N 3.15Å; N870-D872 WeakPolarHBondContact OD1-CB 3.4Å; N870-D872 PolarHBondContact OD1-N 3.45Å; N870-D872 PolarHBondContact OD1-OD1 3Å; D872-Q994 PolarHBondContact O-N 2.87Å; D872-V1139 HydrophobicContact CB-CG1 4.45Å; D872-V1139 WeakPolarHBondContact OD2-CG1 3.42Å
873	F	95.3	Very high	88.1	Confident	1 Å²	1	31 Å²	31	0%	0.004	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	150.8	-165.5	-65.6	-72.5	0	0	0	112.5	P848 V850 F867 N870 H986 Q994 V996 L1137 V1139	P848-F873 HydrophobicContact CG-CE1 4.06Å; P848-F873 HydrophobicContact CG-CZ 4.39Å; V850-F873 HydrophobicContact CG2-CE1 4.1Å; F867-F873 HydrophobicContact CB-CB 4.18Å; F867-F873 HydrophobicContact CD1-CB 4.29Å; F867-F873 HydrophobicContact CD1-CD1 4.12Å; F867-F873 AromaticContact CD1-CD2 3.78Å; F867-F873 HydrophobicContact CD1-CD2 3.78Å; F867-F873 HydrophobicContact CD1-CE1 4.4Å; F867-F873 HydrophobicContact CD1-CE2 4.1Å; F867-F873 AromaticContact CD1-CG 3.8Å; F867-F873 HydrophobicContact CD1-CG 3.8Å; F867-F873 HydrophobicContact CD1-CZ 4.39Å; F867-F873 HydrophobicContact CE1-CD2 4.45Å; F867-F873 HydrophobicContact CE1-CE1 4.46Å; F867-F873 HydrophobicContact CE1-CE2 4.32Å; F867-F873 HydrophobicContact CE1-CZ 4.32Å; N870-F873 PolarHBondContact O-N 2.86Å; N870-F873 VanDerWaalsContact O-O 3.05Å; F873-H986 PolarHBondContact O-NE2 3.15Å; F873-Q994 CarbonylContact C-O 3.39Å; F873-Q994 VanDerWaalsContact CA-O 3.23Å; F873-Q994 WeakPolarHBondContact CA-O 3.46Å; F873-Q994 HydrophobicContact CD1-CB 4Å; F873-Q994 HydrophobicContact CE1-CB 4.24Å; F873-V996 HydrophobicContact CB-CG2 3.9Å; F873-V996 HydrophobicContact CD1-CG2 3.48Å; F873-V996 VanDerWaalsContact CD1-CG2 3.48Å; F873-V996 HydrophobicContact CE1-CG2 4.3Å; F873-V996 HydrophobicContact CG-CG2 3.96Å; F873-L1137 HydrophobicContact CE1-CD1 4.49Å; F873-L1137 HydrophobicContact CZ-CD1 4.12Å; F873-V1139 HydrophobicContact CE2-CB 4.5Å; F873-V1139 HydrophobicContact CE2-CG1 4.06Å; F873-V1139 HydrophobicContact CZ-CB 4.1Å; F873-V1139 HydrophobicContact CZ-CG1 4.09Å; F873-V1139 HydrophobicContact CZ-CG2 4.24Å
874	V	94.4	Very high	87.5	Confident	3 Å²	3	35.5 Å²	35.5	2%	0.018	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	113.4	167.2	58.5	0	0	0	0	109.7	I876 T925 V987 Q994 V995 V996	V874-I876 HydrophobicContact CG2-CG1 4.26Å; V874-I876 PolarHBondContact O-N 2.7Å; V874-T925 HydrophobicContact CG1-CG2 4.32Å; V874-V987 HydrophobicContact CB-CG2 4.13Å; V874-V987 HydrophobicContact CG1-CG2 4.31Å; V874-V987 HydrophobicContact CG2-CG2 3.76Å; V874-Q994 PolarHBondContact N-O 2.52Å; V874-V995 HydrophobicContact CG1-CB 4.44Å; V874-V995 HydrophobicContact CG1-CG2 4.06Å; V874-V996 PolarHBondContact O-N 3.06Å
875	Y	93.3	Very high	86.9	Confident	9 Å²	9	34.6 Å²	34.6	4%	0.035	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	103.5	-174.5	-178.5	-97.4	0	0	0	112.3	I852 K864 F867 R877 Y979 V996 N998	I852-Y875 HydrophobicContact CD1-CE2 4.32Å; K864-Y875 HydrophobicContact CB-CD1 4.36Å; K864-Y875 HydrophobicContact CB-CE1 3.77Å; K864-Y875 HydrophobicContact CB-CE2 4.25Å; K864-Y875 HydrophobicContact CD-CD1 4.39Å; K864-Y875 HydrophobicContact CD-CE1 4.1Å; K864-Y875 HydrophobicContact CG-CD1 3.81Å; K864-Y875 HydrophobicContact CG-CE1 3.61Å; K864-Y875 HydrophobicContact CG-CG 4.39Å; F867-Y875 HydrophobicContact CB-CD2 4.06Å; F867-Y875 HydrophobicContact CD2-CD2 4.32Å; Y875-R877 HydrophobicContact CD1-CG 4.21Å; Y875-R877 HydrophobicContact CE1-CG 3.53Å; Y875-Y979 PolarHBondContact O-OH 3.45Å; Y875-V996 HydrophobicContact CD2-CB 4.28Å; Y875-V996 HydrophobicContact CD2-CG1 3.85Å; Y875-V996 HydrophobicContact CE2-CG1 4.38Å; Y875-N998 HydrophobicContact CE2-CB 3.95Å; Y875-N998 PolarHBondContact OH-ND2 2.92Å
876	I	92	Very high	86.5	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	122.8	-178.8	-51.8	-176.9	0	0	0	109.2	V874 V878 V883 L921 T925 Y979 M983 V995 V996 L997 N998	V874-I876 HydrophobicContact CG2-CG1 4.26Å; V874-I876 PolarHBondContact O-N 2.7Å; I876-V878 HydrophobicContact CG2-CG2 4.2Å; I876-V883 HydrophobicContact CG2-CG1 4.02Å; I876-L921 HydrophobicContact CD1-CD2 4.19Å; I876-T925 HydrophobicContact CD1-CG2 3.75Å; I876-Y979 WeakPolarHBondContact CA-OH 3.4Å; I876-M983 HydrophobicContact CG1-SD 4.06Å; I876-V995 HydrophobicContact CD1-CG1 3.92Å; I876-V995 HydrophobicContact CG1-CG1 4.47Å; I876-V996 PolarHBondContact N-O 2.8Å; I876-L997 HydrophobicContact CB-CD2 4.07Å; I876-L997 HydrophobicContact CD1-CD2 4.43Å; I876-L997 HydrophobicContact CG2-CD2 4.38Å; I876-N998 PolarHBondContact O-N 3.24Å
877	R	88.6	Confident	85.4	Confident	54 Å²	54	43.3 Å²	43.3	20%	0.204	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	133.3	173.5	-64.3	173.4	-68.3	170.3	4.5	109.3	Y875 T880 Y979	Y875-R877 HydrophobicContact CD1-CG 4.21Å; Y875-R877 HydrophobicContact CE1-CG 3.53Å; R877-T880 HydrophobicContact CB-CG2 4.01Å; R877-Y979 PolarHBondContact N-OH 2.88Å; R877-Y979 PolarHBondContact NE-OH 3.24Å; R877-Y979 VanDerWaalsContact NH2-CE1 3.26Å
878	V	86.4	Confident	84.3	Confident	1 Å²	1	45 Å²	45	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	131.3	176.7	-173.2	0	0	0	0	110.5	I876 V883 I885 W917 N998 M999 R1000	I876-V878 HydrophobicContact CG2-CG2 4.2Å; V878-V883 HydrophobicContact CG2-CG1 4.39Å; V878-I885 HydrophobicContact CG1-CG1 3.96Å; V878-W917 HydrophobicContact CG1-CH2 3.98Å; V878-W917 HydrophobicContact CG1-CZ2 4Å; V878-N998 PolarHBondContact N-O 3.43Å; V878-M999 HydrophobicContact CB-CE 4.17Å; V878-M999 HydrophobicContact CB-SD 3.88Å; V878-M999 HydrophobicContact CG1-CE 4.05Å; V878-M999 HydrophobicContact CG1-SD 4.41Å; V878-M999 HydrophobicContact CG2-SD 4.13Å; V878-R1000 PolarHBondContact O-N 2.8Å
879	P	78.9	Confident	83	Confident	48 Å²	48	50 Å²	50	31%	0.312	25%	0.254	S	S	.	.	S	Bend	cis	-79.9	163.6	-7.8	34.1	-36.3	0	0	0	113.2	V883 D884	P879-V883 CarbonylContact C-O 3.46Å; P879-V883 WeakPolarHBondContact CA-O 3.41Å; P879-D884 WeakPolarHBondContact CB-OD1 3.34Å
880	T	79.3	Confident	81.9	Confident	17 Å²	17	44.3 Å²	44.3	10%	0.104	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-143.2	164.7	163.4	57.1	0	0	0	0	109.1	R877 H882 V883 D884 Y979	R877-T880 HydrophobicContact CB-CG2 4.01Å; T880-H882 PolarHBondContact O-N 2.97Å; T880-V883 PolarHBondContact N-O 3.05Å; T880-V883 CarbonylContact O-C 3.52Å; T880-V883 VanDerWaalsContact O-C 3.26Å; T880-V883 PolarHBondContact O-N 3.38Å; T880-V883 VanDerWaalsContact O-N 3.13Å; T880-V883 WeakPolarHBondContact OG1-CB 3.47Å; T880-V883 PolarHBondContact OG1-N 2.94Å; T880-V883 PolarHBondContact OG1-O 3.42Å; T880-D884 PolarHBondContact O-N 3.3Å; T880-Y979 HydrophobicContact CG2-CE1 4.3Å
881	E	76.3	Confident	80.7	Confident	105 Å²	105	52.3 Å²	52.3	49%	0.491	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-26.3	-178.2	-176.9	168.2	-152.7	0	0	114.4	L973	E881-L973 WeakPolarHBondContact OE1-CD2 3.3Å; E881-L973 WeakPolarHBondContact OE2-CD2 3.31Å
882	H	80.2	Confident	79.3	Confident	41 Å²	41	52.9 Å²	52.9	19%	0.19	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-10.8	-179	-65.5	-36.5	0	0	0	114.6	T880 I932 T977 V980	T880-H882 PolarHBondContact O-N 2.97Å; H882-I932 HydrophobicContact CB-CG2 3.84Å; H882-I932 WeakPolarHBondContact O-CD1 3.4Å; H882-T977 WeakPolarHBondContact NE2-CA 3.45Å; H882-T977 WeakPolarHBondContact NE2-CB 3.38Å; H882-T977 PolarHBondContact NE2-N 3.36Å; H882-T977 PolarHBondContact NE2-OG1 3.21Å; H882-V980 HydrophobicContact CB-CG2 3.71Å
883	V	81.6	Confident	77.9	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.012	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-132.5	77.7	175.4	-170.7	0	0	0	0	107.3	I876 V878 P879 T880 L921 I932 M983	I876-V883 HydrophobicContact CG2-CG1 4.02Å; V878-V883 HydrophobicContact CG2-CG1 4.39Å; P879-V883 CarbonylContact C-O 3.46Å; P879-V883 WeakPolarHBondContact CA-O 3.41Å; T880-V883 PolarHBondContact N-O 3.05Å; T880-V883 CarbonylContact O-C 3.52Å; T880-V883 VanDerWaalsContact O-C 3.26Å; T880-V883 PolarHBondContact O-N 3.38Å; T880-V883 VanDerWaalsContact O-N 3.13Å; T880-V883 WeakPolarHBondContact OG1-CB 3.47Å; T880-V883 PolarHBondContact OG1-N 2.94Å; T880-V883 PolarHBondContact OG1-O 3.42Å; V883-L921 HydrophobicContact CG1-CD2 4.31Å; V883-I932 HydrophobicContact CG2-CD1 3.79Å; V883-M983 HydrophobicContact CG2-CE 4.42Å
884	D	79.7	Confident	76.3	Confident	94 Å²	94	57.2 Å²	57.2	50%	0.503	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-102.8	169.2	178.7	-148.9	-13.5	0	0	0	111.4	P879 T880 W917	P879-D884 WeakPolarHBondContact CB-OD1 3.34Å; T880-D884 PolarHBondContact O-N 3.3Å; D884-W917 PolarHBondContact O-NE1 3.45Å; D884-W917 VanDerWaalsContact O-NE1 3.08Å
885	I	80	Confident	74.8	Confident	26 Å²	26	57.5 Å²	57.5	13%	0.133	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-78.4	133.8	174.2	-55.9	161.3	0	0	0	107.7	V878 F892 W917 W1004	V878-I885 HydrophobicContact CG1-CG1 3.96Å; I885-F892 HydrophobicContact CD1-CB 4.37Å; I885-F892 HydrophobicContact CD1-CD1 4.31Å; I885-F892 HydrophobicContact CD1-CG 4.26Å; I885-F892 HydrophobicContact CG2-CD2 3.79Å; I885-F892 HydrophobicContact CG2-CE2 3.73Å; I885-F892 HydrophobicContact CG2-CG 4.29Å; I885-F892 HydrophobicContact CG2-CZ 4.18Å; I885-W917 HydrophobicContact CG1-CH2 4.35Å; I885-W917 HydrophobicContact CG1-CZ2 4.48Å; I885-W1004 HydrophobicContact CD1-CZ2 3.75Å; I885-W1004 HydrophobicContact CG1-CZ2 3.96Å; I885-W1004 HydrophobicContact CG2-CZ2 4.09Å
886	P	81.2	Confident	73.4	Confident	32 Å²	32	57.2 Å²	57.2	21%	0.208	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-60.2	140.5	-180	-23.5	33.4	0	0	0	112.7	T888 I913 W917	P886-T888 PolarHBondContact O-N 3.18Å; P886-I913 HydrophobicContact CB-CG2 3.6Å; P886-I913 HydrophobicContact CG-CG2 4.13Å; P886-W917 HydrophobicContact CG-CB 3.67Å; P886-W917 VanDerWaalsContact CG-CD1 3.46Å; P886-W917 HydrophobicContact CG-CD2 4.1Å; P886-W917 HydrophobicContact CG-CG 3.49Å; P886-W917 VanDerWaalsContact CG-CG 3.49Å
887	E	70	Confident	72.5	Confident	192 Å²	192	57.8 Å²	57.8	90%	0.897	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-58.7	129.6	167.8	-65.8	-176.9	172.6	0	0	110
888	T	68.6	Low	72.1	Confident	40 Å²	40	55.5 Å²	55.5	25%	0.245	28%	0.283	C	S	.	.			trans	-144.8	176.5	176.1	67.9	0	0	0	0	110	P886 F890 I913 I914	P886-T888 PolarHBondContact O-N 3.18Å; T888-F890 PolarHBondContact O-N 2.7Å; T888-F890 PolarHBondContact OG1-N 3.41Å; T888-F890 PolarHBondContact OG1-O 2.9Å; T888-I913 HydrophobicContact CG2-CB 4.08Å; T888-I913 HydrophobicContact CG2-CD1 4.24Å; T888-I913 HydrophobicContact CG2-CG2 4.21Å; T888-I914 HydrophobicContact CG2-CD1 3.67Å; T888-I914 HydrophobicContact CG2-CG1 3.88Å
889	E	57.6	Low	71.8	Confident	192 Å²	192	55.5 Å²	55.5	90%	0.897	28%	0.283	S	S	*	.	S	Bend	trans	-59.9	-8.3	171.9	-60.1	174.7	164.2	0	0	113.9
890	F	61.3	Low	72.2	Confident	22 Å²	22	55 Å²	55	10%	0.096	28%	0.277	C	S	.	.	S	Bend	trans	-110.8	110.4	175	-172.7	-93.5	0	0	0	110.7	T888 F892 D897 C899 W901 F911 C1066	T888-F890 PolarHBondContact O-N 2.7Å; T888-F890 PolarHBondContact OG1-N 3.41Å; T888-F890 PolarHBondContact OG1-O 2.9Å; F890-F892 AromaticContact CD1-CD2 3.96Å; F890-F892 HydrophobicContact CD1-CD2 3.96Å; F890-F892 AromaticContact CD1-CE2 3.89Å; F890-F892 HydrophobicContact CD1-CE2 3.89Å; F890-F892 HydrophobicContact CD1-CG 4.36Å; F890-F892 HydrophobicContact CD1-CZ 4.26Å; F890-F892 HydrophobicContact CE1-CD1 4.44Å; F890-F892 HydrophobicContact CE1-CD2 4.47Å; F890-F892 HydrophobicContact CE1-CG 4.43Å; F890-F892 PolarHBondContact O-N 2.98Å; F890-D897 WeakPolarHBondContact CE1-OD2 3.39Å; F890-D897 VanDerWaalsContact CZ-OD2 3.28Å; F890-D897 WeakPolarHBondContact CZ-OD2 3.49Å; F890-C899 HydrophobicContact CE2-CB 3.84Å; F890-C899 HydrophobicContact CZ-CB 3.61Å; F890-W901 HydrophobicContact CD1-CZ2 4.03Å; F890-W901 HydrophobicContact CE1-CZ2 4.36Å; F890-W901 HydrophobicContact CG-CZ2 4.37Å; F890-F911 HydrophobicContact CB-CE1 4.14Å; F890-C1066 HydrophobicContact CE2-CB 4.3Å
891	E	63.5	Low	72.7	Confident	185 Å²	185	54.2 Å²	54.2	86%	0.864	27%	0.272	S	S	*	.			trans	-71.4	118.9	171.4	-70.3	-170.5	157.3	0	0	110.4	D893	E891-D893 PolarHBondContact O-N 3.29Å
892	F	62.7	Low	73.3	Confident	40 Å²	40	51 Å²	51	18%	0.175	26%	0.261	C	S	.	.			trans	-79	109.5	173	-79.7	-99.5	0	0	0	110.8	I885 F890 S894 W901 I914 W1004 K1007	I885-F892 HydrophobicContact CD1-CB 4.37Å; I885-F892 HydrophobicContact CD1-CD1 4.31Å; I885-F892 HydrophobicContact CD1-CG 4.26Å; I885-F892 HydrophobicContact CG2-CD2 3.79Å; I885-F892 HydrophobicContact CG2-CE2 3.73Å; I885-F892 HydrophobicContact CG2-CG 4.29Å; I885-F892 HydrophobicContact CG2-CZ 4.18Å; F890-F892 AromaticContact CD1-CD2 3.96Å; F890-F892 HydrophobicContact CD1-CD2 3.96Å; F890-F892 AromaticContact CD1-CE2 3.89Å; F890-F892 HydrophobicContact CD1-CE2 3.89Å; F890-F892 HydrophobicContact CD1-CG 4.36Å; F890-F892 HydrophobicContact CD1-CZ 4.26Å; F890-F892 HydrophobicContact CE1-CD1 4.44Å; F890-F892 HydrophobicContact CE1-CD2 4.47Å; F890-F892 HydrophobicContact CE1-CG 4.43Å; F890-F892 PolarHBondContact O-N 2.98Å; F892-S894 PolarHBondContact O-N 3.16Å; F892-W901 HydrophobicContact CE1-CH2 4.44Å; F892-W901 HydrophobicContact CE2-CH2 4.29Å; F892-W901 AromaticContact CZ-CH2 3.58Å; F892-W901 HydrophobicContact CZ-CH2 3.58Å; F892-W901 HydrophobicContact CZ-CZ2 4.01Å; F892-W901 HydrophobicContact CZ-CZ3 4.4Å; F892-I914 HydrophobicContact CE2-CD1 3.54Å; F892-I914 HydrophobicContact CZ-CD1 3.86Å; F892-W1004 AromaticContact CD1-CZ2 3.88Å; F892-W1004 HydrophobicContact CD1-CZ2 3.88Å; F892-W1004 HydrophobicContact CE1-CD2 4.29Å; F892-W1004 AromaticContact CE1-CE2 3.64Å; F892-W1004 HydrophobicContact CE1-CE3 4.49Å; F892-W1004 AromaticContact CE1-CH2 3.57Å; F892-W1004 HydrophobicContact CE1-CH2 3.57Å; F892-W1004 AromaticContact CE1-CZ2 3.26Å; F892-W1004 HydrophobicContact CE1-CZ2 3.26Å; F892-W1004 HydrophobicContact CE1-CZ3 4.18Å; F892-W1004 AromaticContact CZ-CH2 3.65Å; F892-W1004 HydrophobicContact CZ-CH2 3.65Å; F892-W1004 AromaticContact CZ-CZ2 3.69Å; F892-W1004 HydrophobicContact CZ-CZ2 3.69Å; F892-W1004 HydrophobicContact CZ-CZ3 4.4Å; F892-K1007 HydrophobicContact CE1-CD 4.09Å
893	D	65.5	Low	73.8	Confident	25 Å²	25	53.4 Å²	53.4	13%	0.134	27%	0.268	C	S	.	.			trans	-63.7	130.2	165.2	-168.8	-81.3	0	0	0	110.3	E891 L895 V896 S1001 H1052 I1056	E891-D893 PolarHBondContact O-N 3.29Å; D893-L895 PolarHBondContact O-N 2.85Å; D893-L895 VanDerWaalsContact O-N 3.17Å; D893-L895 VanDerWaalsContact OD1-CA 3.3Å; D893-L895 WeakPolarHBondContact OD1-CA 3.3Å; D893-L895 VanDerWaalsContact OD1-CB 3.23Å; D893-L895 WeakPolarHBondContact OD1-CB 3.32Å; D893-L895 PolarHBondContact OD1-N 3Å; D893-V896 WeakPolarHBondContact CB-O 3.42Å; D893-V896 PolarHBondContact OD1-N 3.37Å; D893-S1001 PolarHBondContact O-OG 3.2Å; D893-H1052 IonicContact OD1-ND1 3.82Å; D893-H1052 IonicContact OD2-CE1 2.76Å; D893-H1052 IonicContact OD2-CG 2.83Å; D893-H1052 IonicContact OD2-ND1 3.32Å; D893-H1052 PolarHBondContact OD2-ND1 3.1Å; D893-I1056 HydrophobicContact CB-CD1 4.46Å
894	S	61.2	Low	74.2	Confident	73 Å²	73	57.1 Å²	57.1	51%	0.51	29%	0.291	S	S	.	.	S	Bend	trans	-71.2	-5	-176.9	70	0	0	0	0	114.3	F892 S1001	F892-S894 PolarHBondContact O-N 3.16Å; S894-S1001 WeakPolarHBondContact O-CB 3.29Å; S894-S1001 PolarHBondContact O-OG 3.44Å
895	L	62.7	Low	74.6	Confident	9 Å²	9	53.6 Å²	53.6	5%	0.047	27%	0.272	C	S	.	.	S	Bend	trans	-135	-49.1	-159.3	-139.5	154.5	0	0	0	113	P856 D893 S1001 K1047 I1049	P856-L895 HydrophobicContact CG-CD2 4.37Å; P856-L895 HydrophobicContact CG-CG 4.21Å; D893-L895 PolarHBondContact O-N 2.85Å; D893-L895 VanDerWaalsContact O-N 3.17Å; D893-L895 VanDerWaalsContact OD1-CA 3.3Å; D893-L895 WeakPolarHBondContact OD1-CA 3.3Å; D893-L895 VanDerWaalsContact OD1-CB 3.23Å; D893-L895 WeakPolarHBondContact OD1-CB 3.32Å; D893-L895 PolarHBondContact OD1-N 3Å; L895-S1001 PolarHBondContact N-OG 3.09Å; L895-K1047 HydrophobicContact CD1-CB 3.91Å; L895-I1049 HydrophobicContact CD1-CD1 3.23Å; L895-I1049 HydrophobicContact CD2-CD1 3.58Å; L895-I1049 HydrophobicContact CG-CD1 4.03Å
896	V	64.9	Low	75	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.018	27%	0.267	C	S	.	.			trans	-144.3	126.3	178.9	-176.3	0	0	0	0	109.3	D893 L1053 I1056 F1073 L1094	D893-V896 WeakPolarHBondContact CB-O 3.42Å; D893-V896 PolarHBondContact OD1-N 3.37Å; V896-L1053 HydrophobicContact CG2-CD2 4.29Å; V896-I1056 HydrophobicContact CB-CD1 3.84Å; V896-I1056 HydrophobicContact CG1-CD1 4.26Å; V896-I1056 WeakPolarHBondContact O-CD1 3.21Å; V896-F1073 HydrophobicContact CG1-CE1 3.88Å; V896-L1094 HydrophobicContact CB-CD1 4.14Å; V896-L1094 HydrophobicContact CG1-CD1 3.45Å; V896-L1094 VanDerWaalsContact CG1-CD1 3.45Å; V896-L1094 HydrophobicContact CG2-CD1 3.52Å; V896-L1094 HydrophobicContact CG2-CD2 3.59Å; V896-L1094 HydrophobicContact CG2-CG 4.13Å
897	D	73.3	Confident	75.3	Confident	12 Å²	12	56.7 Å²	56.7	6%	0.064	29%	0.287	C	S	.	.			trans	-128.2	142.6	165.9	-174	4.6	0	0	0	109.1	F890 C899 K1007	F890-D897 WeakPolarHBondContact CE1-OD2 3.39Å; F890-D897 VanDerWaalsContact CZ-OD2 3.28Å; F890-D897 WeakPolarHBondContact CZ-OD2 3.49Å; D897-C899 WeakPolarHBondContact OD1-CB 3.45Å; D897-C899 PolarHBondContact OD1-N 3.08Å; D897-K1007 IonicContact OD2-NZ 2.87Å; D897-K1007 PolarHBondContact OD2-NZ 3.4Å
898	T	78.5	Confident	76.2	Confident	6 Å²	6	55 Å²	55	4%	0.037	28%	0.279	C	S	.	.			trans	-102.3	-5.6	179.2	69.8	0	0	0	0	111.8	I1056 F1057 A1070 F1073	T898-I1056 HydrophobicContact CG2-CG2 3.73Å; T898-F1057 HydrophobicContact CG2-CE1 3.99Å; T898-F1057 HydrophobicContact CG2-CZ 4.01Å; T898-A1070 WeakPolarHBondContact O-CB 3.42Å; T898-A1070 PolarHBondContact O-N 2.95Å; T898-F1073 HydrophobicContact CG2-CB 3.78Å; T898-F1073 HydrophobicContact CG2-CD1 3.49Å; T898-F1073 VanDerWaalsContact CG2-CD1 3.49Å; T898-F1073 HydrophobicContact CG2-CD2 3.92Å; T898-F1073 HydrophobicContact CG2-CE1 3.97Å; T898-F1073 HydrophobicContact CG2-CE2 4.36Å; T898-F1073 HydrophobicContact CG2-CG 3.44Å; T898-F1073 VanDerWaalsContact CG2-CG 3.44Å; T898-F1073 HydrophobicContact CG2-CZ 4.37Å
899	C	82	Confident	76.8	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.007	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	114.9	-172.7	-163.8	0	0	0	0	112.3	F890 D897 K1007 C1066 P1067	F890-C899 HydrophobicContact CE2-CB 3.84Å; F890-C899 HydrophobicContact CZ-CB 3.61Å; D897-C899 WeakPolarHBondContact OD1-CB 3.45Å; D897-C899 PolarHBondContact OD1-N 3.08Å; C899-K1007 PolarHBondContact O-NZ 2.59Å; C899-C1066 WeakPolarHBondContact CA-SG 3.28Å; C899-C1066 HydrophobicContact CB-CB 4.14Å; C899-C1066 WeakPolarHBondContact CB-SG 3.39Å; C899-C1066 WeakPolarHBondContact SG-CA 3.14Å; C899-C1066 WeakPolarHBondContact SG-CB 3.24Å; C899-C1066 CovalentContact SG-SG 2.04Å; C899-C1066 PolarHBondContact SG-SG 2.73Å; C899-P1067 WeakPolarHBondContact SG-CD 3.29Å
900	E	86.8	Confident	77.9	Confident	39 Å²	39	49.4 Å²	49.4	18%	0.182	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	133	179.5	-172.4	171.3	157.8	0	0	110.2	L1006 A1068 R1104 V1105	E900-L1006 WeakPolarHBondContact CA-O 3.09Å; E900-A1068 PolarHBondContact N-O 3.27Å; E900-R1104 IonicContact OE1-CZ 2.97Å; E900-R1104 IonicContact OE1-NH1 3.48Å; E900-R1104 PolarHBondContact OE1-NH1 3.06Å; E900-R1104 IonicContact OE2-CZ 3.7Å; E900-R1104 VanDerWaalsContact OE2-CZ 3.23Å; E900-R1104 IonicContact OE2-NH1 3.89Å; E900-R1104 PolarHBondContact OE2-NH1 3.49Å; E900-R1104 IonicContact OE2-NH2 3.55Å; E900-R1104 PolarHBondContact OE2-NH2 2.99Å; E900-V1105 HydrophobicContact CG-CG2 4.21Å
901	W	89.1	Confident	79.1	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.252	C	S	.	.			trans	-116.5	121.7	178.9	-66.1	2.4	0	0	0	110.3	F890 F892 F911 I914 L1006 K1007 F1010	F890-W901 HydrophobicContact CD1-CZ2 4.03Å; F890-W901 HydrophobicContact CE1-CZ2 4.36Å; F890-W901 HydrophobicContact CG-CZ2 4.37Å; F892-W901 HydrophobicContact CE1-CH2 4.44Å; F892-W901 HydrophobicContact CE2-CH2 4.29Å; F892-W901 AromaticContact CZ-CH2 3.58Å; F892-W901 HydrophobicContact CZ-CH2 3.58Å; F892-W901 HydrophobicContact CZ-CZ2 4.01Å; F892-W901 HydrophobicContact CZ-CZ3 4.4Å; W901-F911 AromaticContact CD1-CE2 3.89Å; W901-F911 AromaticContact CD2-CD2 3.76Å; W901-F911 HydrophobicContact CD2-CD2 3.76Å; W901-F911 AromaticContact CD2-CE2 3.7Å; W901-F911 HydrophobicContact CD2-CE2 3.7Å; W901-F911 HydrophobicContact CD2-CZ 4.42Å; W901-F911 AromaticContact CE2-CD2 3.69Å; W901-F911 AromaticContact CE2-CE2 3.39Å; W901-F911 AromaticContact CE2-CZ 3.65Å; W901-F911 AromaticContact CE3-CD2 3.88Å; W901-F911 HydrophobicContact CE3-CD2 3.88Å; W901-F911 HydrophobicContact CE3-CE2 4.31Å; W901-F911 HydrophobicContact CE3-CG 4.41Å; W901-F911 HydrophobicContact CG-CD2 4.42Å; W901-F911 HydrophobicContact CG-CE2 4.02Å; W901-F911 HydrophobicContact CH2-CB 3.97Å; W901-F911 AromaticContact CH2-CD1 3.91Å; W901-F911 HydrophobicContact CH2-CD1 3.91Å; W901-F911 AromaticContact CH2-CD2 3.86Å; W901-F911 HydrophobicContact CH2-CD2 3.86Å; W901-F911 HydrophobicContact CH2-CE1 4.39Å; W901-F911 HydrophobicContact CH2-CE2 4.34Å; W901-F911 AromaticContact CH2-CG 3.63Å; W901-F911 HydrophobicContact CH2-CG 3.63Å; W901-F911 AromaticContact CZ2-CD1 3.75Å; W901-F911 HydrophobicContact CZ2-CD1 3.75Å; W901-F911 AromaticContact CZ2-CD2 3.77Å; W901-F911 HydrophobicContact CZ2-CD2 3.77Å; W901-F911 AromaticContact CZ2-CE1 3.76Å; W901-F911 HydrophobicContact CZ2-CE1 3.76Å; W901-F911 AromaticContact CZ2-CE2 3.77Å; W901-F911 HydrophobicContact CZ2-CE2 3.77Å; W901-F911 AromaticContact CZ2-CG 3.76Å; W901-F911 HydrophobicContact CZ2-CG 3.76Å; W901-F911 AromaticContact CZ2-CZ 3.78Å; W901-F911 HydrophobicContact CZ2-CZ 3.78Å; W901-F911 HydrophobicContact CZ3-CB 4.08Å; W901-F911 AromaticContact CZ3-CD2 3.93Å; W901-F911 HydrophobicContact CZ3-CD2 3.93Å; W901-F911 AromaticContact CZ3-CG 3.99Å; W901-F911 HydrophobicContact CZ3-CG 3.99Å; W901-F911 AromaticContact NE1-CE2 3.53Å; W901-F911 AromaticContact NE1-CZ 3.61Å; W901-I914 HydrophobicContact CH2-CD1 3.81Å; W901-I914 HydrophobicContact CH2-CG2 4.41Å; W901-I914 HydrophobicContact CZ3-CG2 4.14Å; W901-L1006 PolarHBondContact N-O 3.07Å; W901-L1006 VanDerWaalsContact N-O 3.07Å; W901-K1007 HydrophobicContact CB-CB 4.31Å; W901-K1007 HydrophobicContact CB-CG 4.01Å; W901-K1007 HydrophobicContact CD2-CB 4.44Å; W901-K1007 HydrophobicContact CD2-CD 3.69Å; W901-K1007 HydrophobicContact CD2-CG 3.77Å; W901-K1007 VanDerWaalsContact CE2-CE 3.4Å; W901-K1007 HydrophobicContact CE3-CB 4.26Å; W901-K1007 HydrophobicContact CE3-CD 3.78Å; W901-K1007 HydrophobicContact CE3-CG 4Å; W901-K1007 HydrophobicContact CG-CB 4.49Å; W901-K1007 HydrophobicContact CG-CD 4.19Å; W901-K1007 HydrophobicContact CG-CG 3.77Å; W901-K1007 HydrophobicContact CH2-CD 4.33Å; W901-K1007 HydrophobicContact CZ2-CD 4.23Å; W901-K1007 HydrophobicContact CZ3-CD 4.11Å; W901-F1010 HydrophobicContact CB-CB 3.71Å; W901-F1010 HydrophobicContact CB-CD2 4.38Å; W901-F1010 HydrophobicContact CB-CG 4.22Å; W901-F1010 HydrophobicContact CE3-CB 4.35Å; W901-F1010 AromaticContact CE3-CD1 3.77Å; W901-F1010 HydrophobicContact CE3-CD1 3.77Å; W901-F1010 AromaticContact CE3-CD2 4Å; W901-F1010 HydrophobicContact CE3-CD2 4Å; W901-F1010 AromaticContact CE3-CE1 3.98Å; W901-F1010 HydrophobicContact CE3-CE1 3.98Å; W901-F1010 HydrophobicContact CE3-CE2 4.2Å; W901-F1010 AromaticContact CE3-CG 3.79Å; W901-F1010 HydrophobicContact CE3-CG 3.79Å; W901-F1010 HydrophobicContact CE3-CZ 4.19Å; W901-F1010 HydrophobicContact CZ3-CD1 4.2Å; W901-F1010 AromaticContact CZ3-CE1 3.97Å; W901-F1010 HydrophobicContact CZ3-CE1 3.97Å; W901-F1010 HydrophobicContact CZ3-CZ 4.15Å; W901-F1010 PolarHBondContact O-N 3.12Å
902	S	89.3	Confident	80.1	Confident	37 Å²	37	47.2 Å²	47.2	26%	0.259	24%	0.238	S	C	.	.			trans	-88.9	167.7	-173.9	69.8	0	0	0	0	112.9	T904 D905 A906	S902-T904 PolarHBondContact O-N 3.48Å; S902-T904 PolarHBondContact OG-N 2.77Å; S902-T904 PolarHBondContact OG-OG1 2.67Å; S902-D905 WeakPolarHBondContact CB-OD2 3.38Å; S902-D905 PolarHBondContact N-OD2 2.75Å; S902-D905 PolarHBondContact O-N 2.92Å; S902-D905 PolarHBondContact OG-N 3.04Å; S902-D905 PolarHBondContact OG-OD2 3.38Å; S902-A906 PolarHBondContact O-N 3.08Å
903	R	90.5	Very high	81.3	Confident	92 Å²	92	50 Å²	50	35%	0.347	25%	0.254	S	S	.	.	H	α-helix	trans	-60.4	-35.5	167.5	-61.1	-177	-165.7	-150.9	12.2	111.7	A906 L907 P1009 E1013 T1108	R903-A906 WeakPolarHBondContact O-CB 3.41Å; R903-A906 PolarHBondContact O-N 3.3Å; R903-L907 WeakPolarHBondContact O-CG 3.38Å; R903-L907 PolarHBondContact O-N 2.65Å; R903-P1009 HydrophobicContact CG-CB 4.12Å; R903-P1009 WeakPolarHBondContact CG-O 3.26Å; R903-E1013 HydrophobicContact CB-CB 4.33Å; R903-E1013 HydrophobicContact CB-CG 4.32Å; R903-E1013 WeakPolarHBondContact CD-OE2 3.5Å; R903-E1013 HydrophobicContact CG-CB 4.41Å; R903-T1108 PolarHBondContact NH2-O 3.3Å
904	T	89.4	Confident	82.4	Confident	80 Å²	80	48.8 Å²	48.8	49%	0.491	25%	0.247	S	C	.	.	H	α-helix	trans	-70.8	-30.9	178.5	48.1	0	0	0	0	112.4	S902 A906 L907 H908	S902-T904 PolarHBondContact O-N 3.48Å; S902-T904 PolarHBondContact OG-N 2.77Å; S902-T904 PolarHBondContact OG-OG1 2.67Å; T904-A906 VanDerWaalsContact C-N 3.3Å; T904-A906 PolarHBondContact O-N 3.42Å; T904-L907 PolarHBondContact O-N 2.77Å; T904-H908 PolarHBondContact O-N 2.75Å; T904-H908 PolarHBondContact O-ND1 2.87Å
905	D	89	Confident	83.7	Confident	19 Å²	19	47.9 Å²	47.9	10%	0.102	24%	0.235	C	C	.	.	H	α-helix	trans	-60.7	-40.4	170.7	-69.8	-72.9	0	0	0	111.3	S902 G909 R910 F1010 P1067	S902-D905 WeakPolarHBondContact CB-OD2 3.38Å; S902-D905 PolarHBondContact N-OD2 2.75Å; S902-D905 PolarHBondContact O-N 2.92Å; S902-D905 PolarHBondContact OG-N 3.04Å; S902-D905 PolarHBondContact OG-OD2 3.38Å; D905-G909 PolarHBondContact O-N 2.97Å; D905-R910 HydrophobicContact CB-CB 4.15Å; D905-R910 VanDerWaalsContact O-CB 3.27Å; D905-R910 WeakPolarHBondContact O-CB 3.43Å; D905-R910 PolarHBondContact O-N 2.86Å; D905-R910 WeakPolarHBondContact OD1-CD 3.46Å; D905-R910 IonicContact OD1-CZ 3.78Å; D905-R910 IonicContact OD1-NE 3.76Å; D905-R910 IonicContact OD1-NH1 3.76Å; D905-R910 PolarHBondContact OD1-NH1 1.9Å; D905-F1010 HydrophobicContact CB-CD2 4.47Å; D905-P1067 WeakPolarHBondContact OD1-CB 3.39Å; D905-P1067 WeakPolarHBondContact OD1-CG 3.39Å
906	A	87.2	Confident	85	Confident	4 Å²	4	51 Å²	51	3%	0.033	26%	0.258	C	S	.	.	H	α-helix	trans	-66.6	-45.4	175.6	0	0	0	0	0	112.4	S902 R903 T904 H908 G909 F1010 E1013 V1014	S902-A906 PolarHBondContact O-N 3.08Å; R903-A906 WeakPolarHBondContact O-CB 3.41Å; R903-A906 PolarHBondContact O-N 3.3Å; T904-A906 VanDerWaalsContact C-N 3.3Å; T904-A906 PolarHBondContact O-N 3.42Å; A906-H908 PolarHBondContact O-N 3.15Å; A906-G909 WeakPolarHBondContact O-CA 3.21Å; A906-G909 PolarHBondContact O-N 2.86Å; A906-F1010 HydrophobicContact CB-CD2 3.6Å; A906-F1010 HydrophobicContact CB-CE2 3.86Å; A906-F1010 HydrophobicContact CB-CG 4.24Å; A906-E1013 HydrophobicContact CB-CB 3.83Å; A906-E1013 HydrophobicContact CB-CG 3.98Å; A906-V1014 HydrophobicContact CB-CG2 4.24Å
907	L	88.5	Confident	86.2	Confident	119 Å²	119	51.9 Å²	51.9	62%	0.623	26%	0.261	S	S	*	.	H	α-helix	trans	-64.8	-37.2	179.9	-71.9	168.9	0	0	0	113.3	R903 T904 G909 E1013	R903-L907 WeakPolarHBondContact O-CG 3.38Å; R903-L907 PolarHBondContact O-N 2.65Å; T904-L907 PolarHBondContact O-N 2.77Å; L907-G909 PolarHBondContact O-N 3.19Å; L907-E1013 HydrophobicContact CD2-CG 4.21Å; L907-E1013 HydrophobicContact CG-CG 4.02Å
908	H	87.9	Confident	87	Confident	157 Å²	157	51.5 Å²	51.5	73%	0.727	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-2.7	173	-64.5	97.7	0	0	0	112.9	T904 A906	T904-H908 PolarHBondContact O-N 2.75Å; T904-H908 PolarHBondContact O-ND1 2.87Å; A906-H908 PolarHBondContact O-N 3.15Å
909	G	81.1	Confident	87.6	Confident	17 Å²	17	55.6 Å²	55.6	18%	0.175	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	69	38.8	178.5	0	0	0	0	0	113.3	D905 A906 L907 K912	D905-G909 PolarHBondContact O-N 2.97Å; A906-G909 WeakPolarHBondContact O-CA 3.21Å; A906-G909 PolarHBondContact O-N 2.86Å; L907-G909 PolarHBondContact O-N 3.19Å; G909-K912 WeakPolarHBondContact O-CD 3.44Å; G909-K912 VanDerWaalsContact O-CE 3.24Å; G909-K912 WeakPolarHBondContact O-CE 3.43Å; G909-K912 VanDerWaalsContact O-CG 3.32Å; G909-K912 WeakPolarHBondContact O-CG 3.5Å
910	R	82.1	Confident	88	Confident	97 Å²	97	57.1 Å²	57.1	37%	0.366	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	148.6	164	-154.4	177.1	-173.2	159.6	0.8	108.8	D905 K912 C1066 P1067	D905-R910 HydrophobicContact CB-CB 4.15Å; D905-R910 VanDerWaalsContact O-CB 3.27Å; D905-R910 WeakPolarHBondContact O-CB 3.43Å; D905-R910 PolarHBondContact O-N 2.86Å; D905-R910 WeakPolarHBondContact OD1-CD 3.46Å; D905-R910 IonicContact OD1-CZ 3.78Å; D905-R910 IonicContact OD1-NE 3.76Å; D905-R910 IonicContact OD1-NH1 3.76Å; D905-R910 PolarHBondContact OD1-NH1 1.9Å; R910-K912 VanDerWaalsContact C-N 3.29Å; R910-K912 PolarHBondContact O-N 2.74Å; R910-C1066 PolarHBondContact NH2-O 2.94Å; R910-P1067 VanDerWaalsContact NH1-CB 3.27Å
911	F	85.7	Confident	88.1	Confident	29 Å²	29	55.3 Å²	55.3	13%	0.127	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	34.2	-179.1	-45.4	-67.5	0	0	0	115	F890 W901 I913 I914 Q915 F1010 P1067	F890-F911 HydrophobicContact CB-CE1 4.14Å; W901-F911 AromaticContact CD1-CE2 3.89Å; W901-F911 AromaticContact CD2-CD2 3.76Å; W901-F911 HydrophobicContact CD2-CD2 3.76Å; W901-F911 AromaticContact CD2-CE2 3.7Å; W901-F911 HydrophobicContact CD2-CE2 3.7Å; W901-F911 HydrophobicContact CD2-CZ 4.42Å; W901-F911 AromaticContact CE2-CD2 3.69Å; W901-F911 AromaticContact CE2-CE2 3.39Å; W901-F911 AromaticContact CE2-CZ 3.65Å; W901-F911 AromaticContact CE3-CD2 3.88Å; W901-F911 HydrophobicContact CE3-CD2 3.88Å; W901-F911 HydrophobicContact CE3-CE2 4.31Å; W901-F911 HydrophobicContact CE3-CG 4.41Å; W901-F911 HydrophobicContact CG-CD2 4.42Å; W901-F911 HydrophobicContact CG-CE2 4.02Å; W901-F911 HydrophobicContact CH2-CB 3.97Å; W901-F911 AromaticContact CH2-CD1 3.91Å; W901-F911 HydrophobicContact CH2-CD1 3.91Å; W901-F911 AromaticContact CH2-CD2 3.86Å; W901-F911 HydrophobicContact CH2-CD2 3.86Å; W901-F911 HydrophobicContact CH2-CE1 4.39Å; W901-F911 HydrophobicContact CH2-CE2 4.34Å; W901-F911 AromaticContact CH2-CG 3.63Å; W901-F911 HydrophobicContact CH2-CG 3.63Å; W901-F911 AromaticContact CZ2-CD1 3.75Å; W901-F911 HydrophobicContact CZ2-CD1 3.75Å; W901-F911 AromaticContact CZ2-CD2 3.77Å; W901-F911 HydrophobicContact CZ2-CD2 3.77Å; W901-F911 AromaticContact CZ2-CE1 3.76Å; W901-F911 HydrophobicContact CZ2-CE1 3.76Å; W901-F911 AromaticContact CZ2-CE2 3.77Å; W901-F911 HydrophobicContact CZ2-CE2 3.77Å; W901-F911 AromaticContact CZ2-CG 3.76Å; W901-F911 HydrophobicContact CZ2-CG 3.76Å; W901-F911 AromaticContact CZ2-CZ 3.78Å; W901-F911 HydrophobicContact CZ2-CZ 3.78Å; W901-F911 HydrophobicContact CZ3-CB 4.08Å; W901-F911 AromaticContact CZ3-CD2 3.93Å; W901-F911 HydrophobicContact CZ3-CD2 3.93Å; W901-F911 AromaticContact CZ3-CG 3.99Å; W901-F911 HydrophobicContact CZ3-CG 3.99Å; W901-F911 AromaticContact NE1-CE2 3.53Å; W901-F911 AromaticContact NE1-CZ 3.61Å; F911-I913 PolarHBondContact O-N 3.28Å; F911-I914 HydrophobicContact CB-CB 4.44Å; F911-I914 HydrophobicContact CB-CD1 4.48Å; F911-I914 WeakPolarHBondContact O-CA 3.23Å; F911-I914 PolarHBondContact O-N 3.1Å; F911-Q915 PolarHBondContact O-N 3.46Å; F911-F1010 HydrophobicContact CB-CE2 4.36Å; F911-F1010 HydrophobicContact CB-CZ 4.21Å; F911-F1010 HydrophobicContact CD2-CE2 4.25Å; F911-P1067 HydrophobicContact CE2-CG 3.84Å; F911-P1067 HydrophobicContact CZ-CG 4.03Å
912	K	85.5	Confident	88.2	Confident	132 Å²	132	56 Å²	56	57%	0.574	28%	0.284	S	S	*	.	H	α-helix	trans	-46.2	-39	-178.5	-89.7	165.3	-172.9	173.7	0	115.3	G909 R910 I914 Q915 S916	G909-K912 WeakPolarHBondContact O-CD 3.44Å; G909-K912 VanDerWaalsContact O-CE 3.24Å; G909-K912 WeakPolarHBondContact O-CE 3.43Å; G909-K912 VanDerWaalsContact O-CG 3.32Å; G909-K912 WeakPolarHBondContact O-CG 3.5Å; R910-K912 VanDerWaalsContact C-N 3.29Å; R910-K912 PolarHBondContact O-N 2.74Å; K912-I914 VanDerWaalsContact C-N 3.3Å; K912-I914 PolarHBondContact O-N 3.12Å; K912-Q915 PolarHBondContact O-N 3.08Å; K912-S916 WeakPolarHBondContact O-CB 3.43Å; K912-S916 PolarHBondContact O-N 2.96Å; K912-S916 PolarHBondContact O-OG 2.9Å; K912-S916 VanDerWaalsContact O-OG 3.06Å
913	I	88.1	Confident	88.1	Confident	99 Å²	99	58.6 Å²	58.6	51%	0.508	29%	0.291	S	S	.	.	H	α-helix	trans	-59.4	-43.5	177.7	-61.1	174.6	0	0	0	110.6	P886 T888 F911 S916 W917	P886-I913 HydrophobicContact CB-CG2 3.6Å; P886-I913 HydrophobicContact CG-CG2 4.13Å; T888-I913 HydrophobicContact CG2-CB 4.08Å; T888-I913 HydrophobicContact CG2-CD1 4.24Å; T888-I913 HydrophobicContact CG2-CG2 4.21Å; F911-I913 PolarHBondContact O-N 3.28Å; I913-S916 PolarHBondContact O-N 2.9Å; I913-W917 VanDerWaalsContact O-CB 3.31Å; I913-W917 WeakPolarHBondContact O-CB 3.48Å; I913-W917 PolarHBondContact O-N 3.01Å
914	I	87.7	Confident	88	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-77.7	-35.6	-177.6	-64.8	163.5	0	0	0	110.8	T888 F892 W901 F911 K912 W917 L918 W1004	T888-I914 HydrophobicContact CG2-CD1 3.67Å; T888-I914 HydrophobicContact CG2-CG1 3.88Å; F892-I914 HydrophobicContact CE2-CD1 3.54Å; F892-I914 HydrophobicContact CZ-CD1 3.86Å; W901-I914 HydrophobicContact CH2-CD1 3.81Å; W901-I914 HydrophobicContact CH2-CG2 4.41Å; W901-I914 HydrophobicContact CZ3-CG2 4.14Å; F911-I914 HydrophobicContact CB-CB 4.44Å; F911-I914 HydrophobicContact CB-CD1 4.48Å; F911-I914 WeakPolarHBondContact O-CA 3.23Å; F911-I914 PolarHBondContact O-N 3.1Å; K912-I914 VanDerWaalsContact C-N 3.3Å; K912-I914 PolarHBondContact O-N 3.12Å; I914-W917 HydrophobicContact CG2-CE3 4.24Å; I914-W917 PolarHBondContact O-N 3.44Å; I914-L918 HydrophobicContact CG2-CD1 4.33Å; I914-L918 WeakPolarHBondContact O-CB 3.37Å; I914-L918 PolarHBondContact O-N 2.85Å; I914-W1004 HydrophobicContact CG2-CH2 4.02Å; I914-W1004 HydrophobicContact CG2-CZ3 4.48Å
915	Q	89.6	Confident	88	Confident	53 Å²	53	54.6 Å²	54.6	25%	0.248	28%	0.275	C	S	.	.	H	α-helix	trans	-58.5	-47.5	168.2	-179.5	173.6	35.3	0	0	111.4	F911 K912 H919 F1010 V1014	F911-Q915 PolarHBondContact O-N 3.46Å; K912-Q915 PolarHBondContact O-N 3.08Å; Q915-H919 VanDerWaalsContact O-CB 3.25Å; Q915-H919 WeakPolarHBondContact O-CB 3.41Å; Q915-H919 PolarHBondContact O-N 2.8Å; Q915-F1010 HydrophobicContact CB-CZ 4.19Å; Q915-V1014 HydrophobicContact CB-CG2 4.4Å; Q915-V1014 HydrophobicContact CG-CG1 4.1Å; Q915-V1014 HydrophobicContact CG-CG2 3.82Å
916	S	89.1	Confident	88.1	Confident	76 Å²	76	58.2 Å²	58.2	53%	0.531	29%	0.29	S	S	.	.	H	α-helix	trans	-66.3	-36.8	176.5	-63.5	0	0	0	0	113	K912 I913 S920	K912-S916 WeakPolarHBondContact O-CB 3.43Å; K912-S916 PolarHBondContact O-N 2.96Å; K912-S916 PolarHBondContact O-OG 2.9Å; K912-S916 VanDerWaalsContact O-OG 3.06Å; I913-S916 PolarHBondContact O-N 2.9Å; S916-S920 WeakPolarHBondContact O-CB 3.47Å; S916-S920 PolarHBondContact O-N 2.86Å
917	W	90.6	Very high	88.3	Confident	21 Å²	21	62.2 Å²	62.2	8%	0.08	31%	0.31	C	S	.	.	H	α-helix	trans	-67.7	-45.2	175.6	167.5	94.3	0	0	0	112.2	V878 D884 I885 P886 I913 I914 S920 L921 H928 M999 W1004	V878-W917 HydrophobicContact CG1-CH2 3.98Å; V878-W917 HydrophobicContact CG1-CZ2 4Å; D884-W917 PolarHBondContact O-NE1 3.45Å; D884-W917 VanDerWaalsContact O-NE1 3.08Å; I885-W917 HydrophobicContact CG1-CH2 4.35Å; I885-W917 HydrophobicContact CG1-CZ2 4.48Å; P886-W917 HydrophobicContact CG-CB 3.67Å; P886-W917 VanDerWaalsContact CG-CD1 3.46Å; P886-W917 HydrophobicContact CG-CD2 4.1Å; P886-W917 HydrophobicContact CG-CG 3.49Å; P886-W917 VanDerWaalsContact CG-CG 3.49Å; I913-W917 VanDerWaalsContact O-CB 3.31Å; I913-W917 WeakPolarHBondContact O-CB 3.48Å; I913-W917 PolarHBondContact O-N 3.01Å; I914-W917 HydrophobicContact CG2-CE3 4.24Å; I914-W917 PolarHBondContact O-N 3.44Å; W917-S920 WeakPolarHBondContact O-CB 3.33Å; W917-S920 PolarHBondContact O-N 3.32Å; W917-L921 HydrophobicContact CD2-CD1 3.89Å; W917-L921 VanDerWaalsContact CE2-CD1 3.46Å; W917-L921 HydrophobicContact CE3-CD1 4.31Å; W917-L921 HydrophobicContact CH2-CD1 3.95Å; W917-L921 HydrophobicContact CZ2-CD1 3.51Å; W917-L921 HydrophobicContact CZ3-CD1 4.34Å; W917-L921 PolarHBondContact O-N 2.97Å; W917-H928 AromaticContact CD1-CE1 3.76Å; W917-M999 HydrophobicContact CH2-CE 4.27Å; W917-W1004 HydrophobicContact CZ3-CH2 4.14Å
918	L	89.9	Confident	88.4	Confident	3 Å²	3	57.9 Å²	57.9	2%	0.016	29%	0.286	C	S	.	.	H	α-helix	trans	-58.7	-49.9	171.7	-89.2	162.6	0	0	0	111.1	I914 S920 L921 V922 L997 F1010 I1011 V1014	I914-L918 HydrophobicContact CG2-CD1 4.33Å; I914-L918 WeakPolarHBondContact O-CB 3.37Å; I914-L918 PolarHBondContact O-N 2.85Å; L918-S920 VanDerWaalsContact C-N 3.26Å; L918-S920 PolarHBondContact O-N 3.3Å; L918-L921 PolarHBondContact O-N 3.38Å; L918-V922 WeakPolarHBondContact O-CB 3.22Å; L918-V922 WeakPolarHBondContact O-CG2 3.39Å; L918-V922 PolarHBondContact O-N 2.93Å; L918-L997 HydrophobicContact CD2-CD1 3.98Å; L918-F1010 HydrophobicContact CD1-CE1 4.16Å; L918-I1011 HydrophobicContact CD1-CG1 4.14Å; L918-V1014 HydrophobicContact CB-CG1 4.07Å
919	H	90.1	Very high	88.5	Confident	92 Å²	92	50.5 Å²	50.5	43%	0.426	25%	0.252	S	S	.	.	H	α-helix	trans	-62.6	-34.1	178.6	-174.7	-79.3	0	0	0	112.2	Q915 H923	Q915-H919 VanDerWaalsContact O-CB 3.25Å; Q915-H919 WeakPolarHBondContact O-CB 3.41Å; Q915-H919 PolarHBondContact O-N 2.8Å; H919-H923 AromaticContact CD2-CD2 3.37Å; H919-H923 PolarHBondContact CD2-CD2 3.16Å; H919-H923 AromaticContact CD2-NE2 3.97Å; H919-H923 AromaticContact CG-CD2 3.71Å; H919-H923 AromaticContact NE2-CD2 3.64Å; H919-H923 WeakPolarHBondContact O-CB 3.29Å; H919-H923 PolarHBondContact O-N 3.38Å
920	S	91.4	Very high	88.8	Confident	34 Å²	34	55 Å²	55	24%	0.238	27%	0.268	C	S	.	.	H	α-helix	trans	-68.4	-45.1	173.7	-179.2	0	0	0	0	112.1	S916 W917 L918 N924 T925 H928	S916-S920 WeakPolarHBondContact O-CB 3.47Å; S916-S920 PolarHBondContact O-N 2.86Å; W917-S920 WeakPolarHBondContact O-CB 3.33Å; W917-S920 PolarHBondContact O-N 3.32Å; L918-S920 VanDerWaalsContact C-N 3.26Å; L918-S920 PolarHBondContact O-N 3.3Å; S920-N924 CarbonylContact O-C 3.6Å; S920-N924 VanDerWaalsContact O-CA 3.28Å; S920-N924 WeakPolarHBondContact O-CA 3.09Å; S920-N924 WeakPolarHBondContact O-CB 3.44Å; S920-N924 PolarHBondContact O-N 3.47Å; S920-N924 VanDerWaalsContact O-N 3.09Å; S920-T925 PolarHBondContact O-N 3.11Å; S920-H928 PolarHBondContact OG-ND1 2.95Å
921	L	89.3	Confident	89.1	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.3	-44.7	176.1	-83.5	169.9	0	0	0	112.4	I876 V883 W917 L918 T925 H928	I876-L921 HydrophobicContact CD1-CD2 4.19Å; V883-L921 HydrophobicContact CG1-CD2 4.31Å; W917-L921 HydrophobicContact CD2-CD1 3.89Å; W917-L921 VanDerWaalsContact CE2-CD1 3.46Å; W917-L921 HydrophobicContact CE3-CD1 4.31Å; W917-L921 HydrophobicContact CH2-CD1 3.95Å; W917-L921 HydrophobicContact CZ2-CD1 3.51Å; W917-L921 HydrophobicContact CZ3-CD1 4.34Å; W917-L921 PolarHBondContact O-N 2.97Å; L918-L921 PolarHBondContact O-N 3.38Å; L921-T925 WeakPolarHBondContact O-CA 3.38Å; L921-T925 VanDerWaalsContact O-CB 3.28Å; L921-T925 WeakPolarHBondContact O-CB 3.42Å; L921-T925 WeakPolarHBondContact O-CG2 3.3Å; L921-T925 PolarHBondContact O-OG1 2.75Å; L921-H928 VanDerWaalsContact CD2-CD2 3.44Å; L921-H928 WeakPolarHBondContact CD2-CD2 3.49Å
922	V	89.9	Confident	89.2	Confident	14 Å²	14	55.5 Å²	55.5	9%	0.085	28%	0.28	C	S	.	.	H	α-helix	trans	-78.8	-50.4	-173.8	173.1	0	0	0	0	112.2	T849 L918 L997 V1015	T849-V922 HydrophobicContact CG2-CB 4.34Å; T849-V922 HydrophobicContact CG2-CG1 3.59Å; T849-V922 HydrophobicContact CG2-CG2 3.75Å; L918-V922 WeakPolarHBondContact O-CB 3.22Å; L918-V922 WeakPolarHBondContact O-CG2 3.39Å; L918-V922 PolarHBondContact O-N 2.93Å; V922-L997 HydrophobicContact CG2-CD1 4.44Å; V922-V1015 HydrophobicContact CG2-CG2 4.37Å
923	H	86.8	Confident	89	Confident	92 Å²	92	57.7 Å²	57.7	43%	0.426	29%	0.292	S	S	.	.	H	α-helix	trans	-98.7	-12.3	-171.9	-53.9	-72.7	0	0	0	114	H919	H919-H923 AromaticContact CD2-CD2 3.37Å; H919-H923 PolarHBondContact CD2-CD2 3.16Å; H919-H923 AromaticContact CD2-NE2 3.97Å; H919-H923 AromaticContact CG-CD2 3.71Å; H919-H923 AromaticContact NE2-CD2 3.64Å; H919-H923 WeakPolarHBondContact O-CB 3.29Å; H919-H923 PolarHBondContact O-N 3.38Å
924	N	89.1	Confident	88.6	Confident	75 Å²	75	54.4 Å²	54.4	40%	0.401	28%	0.275	S	S	.	.	S	Bend	trans	-135.8	32.2	-176.7	-70.3	-89	0	0	0	112.3	S920 K926 L927 H928	S920-N924 CarbonylContact O-C 3.6Å; S920-N924 VanDerWaalsContact O-CA 3.28Å; S920-N924 WeakPolarHBondContact O-CA 3.09Å; S920-N924 WeakPolarHBondContact O-CB 3.44Å; S920-N924 PolarHBondContact O-N 3.47Å; S920-N924 VanDerWaalsContact O-N 3.09Å; N924-K926 PolarHBondContact O-N 2.69Å; N924-L927 PolarHBondContact O-N 3.23Å; N924-H928 PolarHBondContact O-N 2.9Å
925	T	90.4	Very high	87.3	Confident	14 Å²	14	58.6 Å²	58.6	9%	0.086	31%	0.31	C	S	.	.	H	α-helix	trans	-48.2	-41.5	-171	-33.4	0	0	0	0	113.5	V874 I876 S920 L921 H928 L929 V995	V874-T925 HydrophobicContact CG1-CG2 4.32Å; I876-T925 HydrophobicContact CD1-CG2 3.75Å; S920-T925 PolarHBondContact O-N 3.11Å; L921-T925 WeakPolarHBondContact O-CA 3.38Å; L921-T925 VanDerWaalsContact O-CB 3.28Å; L921-T925 WeakPolarHBondContact O-CB 3.42Å; L921-T925 WeakPolarHBondContact O-CG2 3.3Å; L921-T925 PolarHBondContact O-OG1 2.75Å; T925-H928 PolarHBondContact O-N 2.81Å; T925-L929 HydrophobicContact CG2-CD1 4.09Å; T925-L929 HydrophobicContact CG2-CG 4.46Å; T925-L929 WeakPolarHBondContact O-CB 3.46Å; T925-L929 VanDerWaalsContact O-CG 3.28Å; T925-L929 WeakPolarHBondContact O-CG 3.43Å; T925-L929 PolarHBondContact O-N 2.91Å; T925-V995 HydrophobicContact CG2-CG2 4.06Å; T925-V995 VanDerWaalsContact OG1-CG2 3.23Å; T925-V995 WeakPolarHBondContact OG1-CG2 3.32Å
926	K	90.6	Very high	85.3	Confident	95 Å²	95	64.2 Å²	64.2	41%	0.413	34%	0.336	S	S	.	.	H	α-helix	trans	-59.8	-49.2	178.1	-170.1	168.7	-177.6	166.6	0	112.4	N924 Q930 V987	N924-K926 PolarHBondContact O-N 2.69Å; K926-Q930 WeakPolarHBondContact O-CB 3.45Å; K926-Q930 WeakPolarHBondContact O-CG 3.42Å; K926-Q930 PolarHBondContact O-N 2.9Å; K926-Q930 PolarHBondContact O-OE1 2.83Å; K926-V987 HydrophobicContact CB-CG1 3.66Å; K926-V987 HydrophobicContact CD-CG1 4.44Å; K926-V987 HydrophobicContact CG-CG1 4.06Å
927	L	90.3	Very high	83.1	Confident	88 Å²	88	65 Å²	65	46%	0.461	36%	0.357	S	S	.	.	H	α-helix	trans	-69.1	-40.3	179.5	-177.2	63.7	0	0	0	110.8	N924 Q930 N931	N924-L927 PolarHBondContact O-N 3.23Å; L927-Q930 PolarHBondContact O-N 3.3Å; L927-N931 PolarHBondContact O-N 3.07Å; L927-N931 PolarHBondContact O-ND2 2.96Å
928	H	91.2	Very high	80.3	Confident	28 Å²	28	68.9 Å²	68.9	13%	0.13	39%	0.386	C	S	.	.	H	α-helix	trans	-57.2	-53.8	174.1	-169.3	100.5	0	0	0	111.2	W917 S920 L921 N924 T925 Q930 N931	W917-H928 AromaticContact CD1-CE1 3.76Å; S920-H928 PolarHBondContact OG-ND1 2.95Å; L921-H928 VanDerWaalsContact CD2-CD2 3.44Å; L921-H928 WeakPolarHBondContact CD2-CD2 3.49Å; N924-H928 PolarHBondContact O-N 2.9Å; T925-H928 PolarHBondContact O-N 2.81Å; H928-Q930 VanDerWaalsContact C-N 3.27Å; H928-Q930 PolarHBondContact O-N 2.95Å; H928-N931 PolarHBondContact O-N 2.86Å
929	L	89.8	Confident	78	Confident	1 Å²	1	80 Å²	80	1%	0.005	43%	0.428	C	S	.	.	H	α-helix	trans	-61.9	-32.2	178.1	-72.1	171.8	0	0	0	112.6	T925 I932 M983 R984 V987	T925-L929 HydrophobicContact CG2-CD1 4.09Å; T925-L929 HydrophobicContact CG2-CG 4.46Å; T925-L929 WeakPolarHBondContact O-CB 3.46Å; T925-L929 VanDerWaalsContact O-CG 3.28Å; T925-L929 WeakPolarHBondContact O-CG 3.43Å; T925-L929 PolarHBondContact O-N 2.91Å; L929-I932 HydrophobicContact CD2-CD1 4.05Å; L929-M983 HydrophobicContact CD1-CB 3.93Å; L929-M983 HydrophobicContact CD2-CB 4.23Å; L929-M983 HydrophobicContact CD2-CE 3.98Å; L929-M983 HydrophobicContact CD2-SD 4.38Å; L929-R984 HydrophobicContact CB-CG 4.2Å; L929-R984 PolarHBondContact O-NE 3.07Å; L929-R984 PolarHBondContact O-NH2 2.77Å; L929-V987 HydrophobicContact CD1-CB 4.48Å; L929-V987 HydrophobicContact CD1-CG2 4Å
930	Q	88.6	Confident	75.2	Confident	111 Å²	111	80.4 Å²	80.4	52%	0.519	45%	0.447	S	S	.	.	H	α-helix	trans	-70.3	-36.5	175.6	-78.7	173.3	-41.3	0	0	113	K926 L927 H928 I932 R984	K926-Q930 WeakPolarHBondContact O-CB 3.45Å; K926-Q930 WeakPolarHBondContact O-CG 3.42Å; K926-Q930 PolarHBondContact O-N 2.9Å; K926-Q930 PolarHBondContact O-OE1 2.83Å; L927-Q930 PolarHBondContact O-N 3.3Å; H928-Q930 VanDerWaalsContact C-N 3.27Å; H928-Q930 PolarHBondContact O-N 2.95Å; Q930-I932 VanDerWaalsContact C-N 3.29Å; Q930-I932 PolarHBondContact O-N 3.47Å; Q930-R984 PolarHBondContact O-NH2 3.06Å
931	N	88.3	Confident	72.5	Confident	114 Å²	114	88.4 Å²	88.4	61%	0.61	48%	0.478	S	S	*	.	H	α-helix	trans	-73.2	-17	-177.3	-70.2	-14.9	0	0	0	114.2	L927 H928 Q933	L927-N931 PolarHBondContact O-N 3.07Å; L927-N931 PolarHBondContact O-ND2 2.96Å; H928-N931 PolarHBondContact O-N 2.86Å; N931-Q933 PolarHBondContact O-N 3.07Å
932	I	86.1	Confident	69.6	Low	23 Å²	23	97.2 Å²	97.2	12%	0.118	52%	0.519	C	S	.	.	S	Bend	trans	-59.5	124.3	173.6	-63.7	169.7	0	0	0	110.2	H882 V883 L929 Q930 L934 V980 R984	H882-I932 HydrophobicContact CB-CG2 3.84Å; H882-I932 WeakPolarHBondContact O-CD1 3.4Å; V883-I932 HydrophobicContact CG2-CD1 3.79Å; L929-I932 HydrophobicContact CD2-CD1 4.05Å; Q930-I932 VanDerWaalsContact C-N 3.29Å; Q930-I932 PolarHBondContact O-N 3.47Å; I932-L934 HydrophobicContact CG2-CD2 3.87Å; I932-L934 PolarHBondContact O-N 2.78Å; I932-V980 HydrophobicContact CD1-CG1 4.1Å; I932-V980 HydrophobicContact CG2-CG1 4.33Å; I932-R984 PolarHBondContact O-NH2 3.05Å
933	Q	81.4	Confident	66.8	Low	179 Å²	179	102.4 Å²	102.4	84%	0.836	55%	0.553	S	S	*	*			trans	-82.1	107.9	175.3	-65.4	-168.7	10.7	0	0	110.5	N931	N931-Q933 PolarHBondContact O-N 3.07Å
934	L	80.3	Confident	64.1	Low	30 Å²	30	107.2 Å²	107.2	16%	0.157	58%	0.576	C	S	.	*			trans	-86.6	118.7	170	-58	-176	0	0	0	108.5	I932 E936 T977 V980 R981	I932-L934 HydrophobicContact CG2-CD2 3.87Å; I932-L934 PolarHBondContact O-N 2.78Å; L934-E936 PolarHBondContact O-N 3.11Å; L934-T977 HydrophobicContact CB-CG2 4.17Å; L934-T977 HydrophobicContact CD1-CG2 4.13Å; L934-T977 HydrophobicContact CD2-CG2 4.22Å; L934-T977 HydrophobicContact CG-CG2 4.4Å; L934-V980 HydrophobicContact CD1-CB 4.27Å; L934-V980 HydrophobicContact CD1-CG1 4.18Å; L934-V980 HydrophobicContact CD2-CB 3.92Å; L934-V980 HydrophobicContact CD2-CG1 3.98Å; L934-V980 HydrophobicContact CD2-CG2 4.28Å; L934-V980 HydrophobicContact CG-CG1 4.46Å; L934-R981 HydrophobicContact CD1-CG 3.87Å
935	A	60.8	Low	61.4	Low	87 Å²	87	115.3 Å²	115.3	72%	0.719	60%	0.6	S	S	*	*			trans	-69.8	100.8	-178	0	0	0	0	0	111.2
936	E	48.4	Very low	58.4	Low	172 Å²	172	119.4 Å²	119.4	80%	0.804	64%	0.636	S	S	*	*			trans	-65.3	138	172.2	-67.5	-165.6	152.5	0	0	111.2	L934 S938	L934-E936 PolarHBondContact O-N 3.11Å; E936-S938 PolarHBondContact O-N 2.91Å
937	G	42.3	Very low	55.4	Low	93 Å²	93	119.7 Å²	119.7	96%	0.959	65%	0.65	S	S	*	*			trans	-71.3	42.7	178.8	0	0	0	0	0	114.7
938	S	32.5	Very low	53.2	Low	101 Å²	101	121.3 Å²	121.3	71%	0.706	67%	0.666	S	S	*	*			trans	-70.8	147	175.4	-171.5	0	0	0	0	111.2	E936 A940	E936-S938 PolarHBondContact O-N 2.91Å; S938-A940 PolarHBondContact O-N 3.5Å
939	R	40	Very low	50.1	Low	238 Å²	238	125.2 Å²	125.2	90%	0.898	70%	0.696	S	S	*	*			trans	-66	99.7	-177.4	-70.5	176.2	175.1	168.2	-2.6	110.5	K941	R939-K941 PolarHBondContact O-N 2.99Å
940	A	32.3	Very low	47.2	Very low	100 Å²	100	136.2 Å²	136.2	83%	0.826	74%	0.738	S	S	*	*			trans	-57.1	105	174.8	0	0	0	0	0	111.1	S938 Q942	S938-A940 PolarHBondContact O-N 3.5Å; A940-Q942 PolarHBondContact O-N 3.37Å
941	K	33.8	Very low	44.3	Very low	201 Å²	201	138.6 Å²	138.6	87%	0.874	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-61	132.1	166.9	-72.7	-179.5	176.6	177.4	0	108.1	R939 P943	R939-K941 PolarHBondContact O-N 2.99Å; K941-P943 WeakPolarHBondContact O-CD 3.46Å
942	Q	29.1	Very low	41.5	Very low	186 Å²	186	143.6 Å²	143.6	87%	0.869	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-62.5	126.5	176.2	-68.6	-179.2	-14.5	0	0	110.7	A940	A940-Q942 PolarHBondContact O-N 3.37Å
943	P	31.9	Very low	38.8	Very low	123 Å²	123	152.7 Å²	152.7	80%	0.799	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-63.2	138.3	153.9	-15.6	31.4	0	0	0	108.7	K941	K941-P943 WeakPolarHBondContact O-CD 3.46Å
944	Q	29.8	Very low	36.3	Very low	192 Å²	192	153.4 Å²	153.4	90%	0.897	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-73.4	163.6	-179.5	-72.5	-179.5	-24.8	0	0	112.3
945	R	31	Very low	33.8	Very low	245 Å²	245	164.3 Å²	164.3	93%	0.925	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-61.4	138.7	-175.6	-67.7	171.5	170.5	165.4	-5	113.1
946	A	27.8	Very low	32.2	Very low	101 Å²	101	165.7 Å²	165.7	84%	0.835	85%	0.847	S	S	*	*			trans	-134.4	149	145.7	0	0	0	0	0	109.1
947	S	27.6	Very low	31.2	Very low	101 Å²	101	169.5 Å²	169.5	71%	0.706	85%	0.854	S	S	*	*			trans	-173.9	167	-168.4	58.2	0	0	0	0	111.1
948	P	44.9	Very low	30.6	Very low	122 Å²	122	176.7 Å²	176.7	79%	0.792	85%	0.852	S	S	*	*			cis	-138.4	160.8	-37.2	36.5	-20.9	0	0	0	113.9
949	S	25.7	Very low	30.4	Very low	110 Å²	110	183.9 Å²	183.9	77%	0.769	86%	0.864	S	S	*	*			trans	-153.1	110.9	157.1	-163.3	0	0	0	0	108.6
950	R	29.2	Very low	29.9	Very low	231 Å²	231	180.7 Å²	180.7	87%	0.872	86%	0.859	S	S	*	*				48.3	118	97.6	-62.8	-172.6	179.6	-167.2	1.9	112
951	D	27.9	Very low	29.9	Very low	162 Å²	162	180 Å²	180	87%	0.866	85%	0.846	S	S	*	*				-137.1	179.3	51.2	-143.4	-19.9	0	0	0	116.5
952	R	29.8	Very low	30	Very low	218 Å²	218	174 Å²	174	82%	0.823	83%	0.834	S	S	*	*			trans	-139.2	128.1	-171.4	-104.4	-177.8	169.6	179.2	-0.1	113.2
953	K	28.7	Very low	30.2	Very low	214 Å²	214	169.3 Å²	169.3	93%	0.93	82%	0.822	S	S	*	*			trans	-133.4	141.3	143.8	-75.8	-168.7	177.8	172.3	0	111.5
954	K	28.8	Very low	30.2	Very low	195 Å²	195	169.9 Å²	169.9	85%	0.848	81%	0.814	S	S	*	*			trans	-87.2	149.7	-172.5	-66.3	173.3	176.4	173.6	0	111.9
955	R	26.8	Very low	30.3	Very low	259 Å²	259	166.4 Å²	166.4	98%	0.977	80%	0.801	S	S	*	*			trans	-136.2	139.5	135.5	-119.2	177.1	178.7	177.6	-0.7	109.2
956	S	27.5	Very low	30.4	Very low	116 Å²	116	162.4 Å²	162.4	81%	0.811	79%	0.79	S	S	*	*			trans	-100	137.8	-171.7	49.8	0	0	0	0	112.4
957	R	28.8	Very low	30.5	Very low	251 Å²	251	159.7 Å²	159.7	95%	0.947	77%	0.772	S	S	*	*			trans	-123	159.1	157	-85.9	-173.9	166	179	-4.3	110
958	R	27.7	Very low	31	Very low	244 Å²	244	164.1 Å²	164.1	92%	0.921	77%	0.774	S	S	*	*			trans	-61.7	153.5	-175.3	-76.3	175.9	166.3	160.2	-6.6	111.6
959	R	28.6	Very low	30.7	Very low	253 Å²	253	163.1 Å²	163.1	96%	0.955	76%	0.761	S	S	*	*			trans	-82.5	123.8	164.6	-74.7	176.6	169.5	171.2	-5.8	109
960	E	29.4	Very low	31.4	Very low	171 Å²	171	163.9 Å²	163.9	80%	0.799	75%	0.75	S	S	*	*			trans	-104.3	165.3	155.2	-73.2	175.1	167.8	0	0	108.8	A962	E960-A962 PolarHBondContact O-N 3.2Å
961	P	33.3	Very low	32.4	Very low	85 Å²	85	155.8 Å²	155.8	55%	0.552	73%	0.733	S	S	*	*			trans	-68.8	100.2	-173.1	-20.3	34.3	0	0	0	113	S963 E964	P961-S963 PolarHBondContact O-N 3.49Å; P961-E964 PolarHBondContact O-N 3.31Å
962	A	35.8	Very low	33.6	Very low	75 Å²	75	150 Å²	150	62%	0.62	71%	0.705	S	S	*	*	H	α-helix	trans	-67	-1.7	-178	0	0	0	0	0	115.1	E960	E960-A962 PolarHBondContact O-N 3.2Å
963	S	34	Very low	34.9	Very low	88 Å²	88	142.5 Å²	142.5	62%	0.615	68%	0.681	S	S	*	*	H	α-helix	trans	-76.3	-51.1	174.9	42.6	0	0	0	0	112.4	P961 K966 G967	P961-S963 PolarHBondContact O-N 3.49Å; S963-K966 PolarHBondContact O-N 2.86Å; S963-G967 PolarHBondContact O-N 3.4Å
964	E	31.7	Very low	36.5	Very low	134 Å²	134	136.3 Å²	136.3	63%	0.626	66%	0.658	S	S	*	*	H	α-helix	trans	-67.4	-40.3	-176.4	-62.5	-169.9	138.6	0	0	112	P961 K966 G967 R968	P961-E964 PolarHBondContact O-N 3.31Å; E964-K966 VanDerWaalsContact C-N 3.31Å; E964-K966 PolarHBondContact O-N 3.38Å; E964-G967 PolarHBondContact O-N 3.02Å; E964-G967 VanDerWaalsContact O-N 3.15Å; E964-R968 PolarHBondContact O-N 3.19Å
965	L	31.8	Very low	38.4	Very low	120 Å²	120	133.7 Å²	133.7	63%	0.628	64%	0.643	S	S	*	*	H	α-helix	trans	-62.6	-39.8	176.3	-156.6	79.3	0	0	0	111.1	R968 L969	L965-R968 PolarHBondContact O-N 3.4Å; L965-L969 HydrophobicContact CD2-CD1 4.37Å; L965-L969 HydrophobicContact CG-CD1 4.18Å; L965-L969 VanDerWaalsContact O-CB 3.3Å; L965-L969 WeakPolarHBondContact O-CB 3.47Å; L965-L969 WeakPolarHBondContact O-CD1 3.32Å; L965-L969 VanDerWaalsContact O-CG 3.3Å; L965-L969 WeakPolarHBondContact O-CG 3.3Å; L965-L969 PolarHBondContact O-N 3.16Å
966	K	32.3	Very low	40.5	Very low	160 Å²	160	122.4 Å²	122.4	70%	0.696	60%	0.602	S	S	*	*	H	α-helix	trans	-64.7	-38.9	172.6	-89.7	-170.1	170	-170.2	0	112.7	S963 E964 K970	S963-K966 PolarHBondContact O-N 2.86Å; E964-K966 VanDerWaalsContact C-N 3.31Å; E964-K966 PolarHBondContact O-N 3.38Å; K966-K970 VanDerWaalsContact O-CB 3.31Å; K966-K970 WeakPolarHBondContact O-CB 3.37Å; K966-K970 PolarHBondContact O-N 2.92Å
967	G	30.1	Very low	43	Very low	45 Å²	45	117.4 Å²	117.4	46%	0.464	57%	0.566	S	S	.	*	H	α-helix	trans	-60.4	-49.6	174.8	0	0	0	0	0	112.1	S963 E964 K970 A971	S963-G967 PolarHBondContact O-N 3.4Å; E964-G967 PolarHBondContact O-N 3.02Å; E964-G967 VanDerWaalsContact O-N 3.15Å; G967-K970 PolarHBondContact O-N 2.92Å; G967-A971 WeakPolarHBondContact O-CB 3.41Å; G967-A971 PolarHBondContact O-N 3.49Å
968	R	38.9	Very low	45.6	Very low	194 Å²	194	109 Å²	109	73%	0.732	54%	0.538	S	S	*	.	H	α-helix	trans	-67.3	-41.1	178.8	-68.3	-176.1	-178.7	-177.2	2.4	113.1	E964 L965 A971 S972	E964-R968 PolarHBondContact O-N 3.19Å; L965-R968 PolarHBondContact O-N 3.4Å; R968-A971 PolarHBondContact O-N 2.98Å; R968-S972 PolarHBondContact O-N 3.3Å
969	L	38.5	Very low	48.3	Very low	100 Å²	100	98 Å²	98	52%	0.524	50%	0.497	S	S	.	.	H	α-helix	trans	-60.8	-47.8	174	-79.4	164.3	0	0	0	111	L965 A971 S972 L973	L965-L969 HydrophobicContact CD2-CD1 4.37Å; L965-L969 HydrophobicContact CG-CD1 4.18Å; L965-L969 VanDerWaalsContact O-CB 3.3Å; L965-L969 WeakPolarHBondContact O-CB 3.47Å; L965-L969 WeakPolarHBondContact O-CD1 3.32Å; L965-L969 VanDerWaalsContact O-CG 3.3Å; L965-L969 WeakPolarHBondContact O-CG 3.3Å; L965-L969 PolarHBondContact O-N 3.16Å; L969-A971 PolarHBondContact O-N 2.9Å; L969-S972 PolarHBondContact O-N 3.01Å; L969-S972 VanDerWaalsContact O-N 3.12Å; L969-L973 PolarHBondContact O-N 3.47Å
970	K	38.9	Very low	51.1	Low	126 Å²	126	86 Å²	86	55%	0.548	45%	0.451	S	S	.	.	H	α-helix	trans	-62.1	-42.4	178.6	-161	-160.1	170.5	-150.2	0	112	K966 G967 S972 L973 D974	K966-K970 VanDerWaalsContact O-CB 3.31Å; K966-K970 WeakPolarHBondContact O-CB 3.37Å; K966-K970 PolarHBondContact O-N 2.92Å; G967-K970 PolarHBondContact O-N 2.92Å; K970-S972 VanDerWaalsContact C-N 3.26Å; K970-S972 PolarHBondContact O-N 3.16Å; K970-L973 WeakPolarHBondContact O-CB 3.47Å; K970-L973 PolarHBondContact O-N 2.89Å; K970-D974 VanDerWaalsContact CE-OD2 3.25Å; K970-D974 WeakPolarHBondContact CE-OD2 3.19Å; K970-D974 IonicContact NZ-OD2 3.75Å; K970-D974 PolarHBondContact NZ-OD2 3.46Å; K970-D974 WeakPolarHBondContact O-CB 3.32Å; K970-D974 VanDerWaalsContact O-CG 3.29Å; K970-D974 PolarHBondContact O-N 3.45Å
971	A	51.3	Low	53.9	Low	61 Å²	61	82.9 Å²	82.9	50%	0.504	43%	0.432	S	S	.	.	H	α-helix	trans	-63.5	-29.3	175.7	0	0	0	0	0	113.3	G967 R968 L969 R975	G967-A971 WeakPolarHBondContact O-CB 3.41Å; G967-A971 PolarHBondContact O-N 3.49Å; R968-A971 PolarHBondContact O-N 2.98Å; L969-A971 PolarHBondContact O-N 2.9Å; A971-R975 WeakPolarHBondContact O-CB 3.45Å; A971-R975 PolarHBondContact O-N 2.88Å
972	S	53.7	Low	56.6	Low	40 Å²	40	81.9 Å²	81.9	28%	0.28	42%	0.42	S	S	.	.	H	α-helix	trans	-74.4	-45	172.5	-159.1	0	0	0	0	111.9	R968 L969 K970 R975 D976	R968-S972 PolarHBondContact O-N 3.3Å; L969-S972 PolarHBondContact O-N 3.01Å; L969-S972 VanDerWaalsContact O-N 3.12Å; K970-S972 VanDerWaalsContact C-N 3.26Å; K970-S972 PolarHBondContact O-N 3.16Å; S972-R975 PolarHBondContact O-N 3.45Å; S972-R975 PolarHBondContact OG-NH2 2.97Å; S972-D976 WeakPolarHBondContact O-CB 3.19Å; S972-D976 PolarHBondContact O-N 2.86Å
973	L	56	Low	59.2	Low	61 Å²	61	78.6 Å²	78.6	32%	0.319	39%	0.392	S	S	.	.	H	α-helix	trans	-54.8	-51	173.4	-90.1	152.2	0	0	0	111.8	E881 L969 K970 R975 D976 T977	E881-L973 WeakPolarHBondContact OE1-CD2 3.3Å; E881-L973 WeakPolarHBondContact OE2-CD2 3.31Å; L969-L973 PolarHBondContact O-N 3.47Å; K970-L973 WeakPolarHBondContact O-CB 3.47Å; K970-L973 PolarHBondContact O-N 2.89Å; L973-R975 VanDerWaalsContact C-N 3.31Å; L973-R975 PolarHBondContact O-N 2.9Å; L973-D976 PolarHBondContact O-N 3.39Å; L973-T977 WeakPolarHBondContact O-CB 3.46Å; L973-T977 PolarHBondContact O-N 3.39Å; L973-T977 PolarHBondContact O-OG1 3.26Å
974	D	61.8	Low	62	Low	84 Å²	84	77.9 Å²	77.9	45%	0.449	38%	0.376	S	S	.	.	H	α-helix	trans	-61.9	-39.2	-179	-71	-29.3	0	0	0	110.6	K970 E978	K970-D974 VanDerWaalsContact CE-OD2 3.25Å; K970-D974 WeakPolarHBondContact CE-OD2 3.19Å; K970-D974 IonicContact NZ-OD2 3.75Å; K970-D974 PolarHBondContact NZ-OD2 3.46Å; K970-D974 WeakPolarHBondContact O-CB 3.32Å; K970-D974 VanDerWaalsContact O-CG 3.29Å; K970-D974 PolarHBondContact O-N 3.45Å; D974-E978 PolarHBondContact O-N 3.3Å
975	R	68.9	Low	64.9	Low	140 Å²	140	78.8 Å²	78.8	53%	0.528	37%	0.374	S	S	.	.	H	α-helix	trans	-71.5	-46.2	177.5	-174.4	-161.6	67.5	-139.8	-12.6	113.3	A971 S972 L973 T977 E978 Y979	A971-R975 WeakPolarHBondContact O-CB 3.45Å; A971-R975 PolarHBondContact O-N 2.88Å; S972-R975 PolarHBondContact O-N 3.45Å; S972-R975 PolarHBondContact OG-NH2 2.97Å; L973-R975 VanDerWaalsContact C-N 3.31Å; L973-R975 PolarHBondContact O-N 2.9Å; R975-T977 VanDerWaalsContact C-N 3.28Å; R975-T977 PolarHBondContact O-N 3.09Å; R975-E978 PolarHBondContact O-N 3.3Å; R975-E978 VanDerWaalsContact O-N 3.15Å; R975-Y979 PolarHBondContact O-N 3.21Å
976	D	70.8	Confident	67.8	Low	23 Å²	23	74.6 Å²	74.6	12%	0.123	35%	0.351	C	S	.	.	H	α-helix	trans	-76.3	-22.7	-176.2	-67.3	-2.7	0	0	0	110.9	S972 L973 V980	S972-D976 WeakPolarHBondContact O-CB 3.19Å; S972-D976 PolarHBondContact O-N 2.86Å; L973-D976 PolarHBondContact O-N 3.39Å; D976-V980 PolarHBondContact O-N 3.2Å
977	T	80.4	Confident	70.7	Confident	10 Å²	10	67.4 Å²	67.4	6%	0.061	32%	0.32	C	S	.	.	H	α-helix	trans	-63.7	-47.1	162.7	-59.2	0	0	0	0	111.9	H882 L934 L973 R975 Y979 V980 R981	H882-T977 WeakPolarHBondContact NE2-CA 3.45Å; H882-T977 WeakPolarHBondContact NE2-CB 3.38Å; H882-T977 PolarHBondContact NE2-N 3.36Å; H882-T977 PolarHBondContact NE2-OG1 3.21Å; L934-T977 HydrophobicContact CB-CG2 4.17Å; L934-T977 HydrophobicContact CD1-CG2 4.13Å; L934-T977 HydrophobicContact CD2-CG2 4.22Å; L934-T977 HydrophobicContact CG-CG2 4.4Å; L973-T977 WeakPolarHBondContact O-CB 3.46Å; L973-T977 PolarHBondContact O-N 3.39Å; L973-T977 PolarHBondContact O-OG1 3.26Å; R975-T977 VanDerWaalsContact C-N 3.28Å; R975-T977 PolarHBondContact O-N 3.09Å; T977-Y979 VanDerWaalsContact C-N 3.33Å; T977-Y979 PolarHBondContact O-N 3.19Å; T977-V980 PolarHBondContact O-N 3.46Å; T977-R981 PolarHBondContact O-N 3.04Å; T977-R981 VanDerWaalsContact O-N 3.17Å
978	E	83.9	Confident	73.7	Confident	74 Å²	74	68.1 Å²	68.1	35%	0.346	32%	0.322	S	S	.	.	H	α-helix	trans	-65.3	-35.2	178.2	-168.8	58.6	-151.2	0	0	112.2	D974 R975 V980 R981 E982 R985	D974-E978 PolarHBondContact O-N 3.3Å; R975-E978 PolarHBondContact O-N 3.3Å; R975-E978 VanDerWaalsContact O-N 3.15Å; E978-V980 VanDerWaalsContact C-N 3.26Å; E978-V980 PolarHBondContact O-N 3.33Å; E978-R981 CarbonylContact O-C 3.6Å; E978-R981 WeakPolarHBondContact O-CA 3.33Å; E978-R981 WeakPolarHBondContact O-CB 3.46Å; E978-R981 PolarHBondContact O-N 2.97Å; E978-R981 WeakPolarHBondContact OE2-CD 3.48Å; E978-R981 IonicContact OE2-CZ 3.36Å; E978-R981 IonicContact OE2-NE 3.3Å; E978-R981 IonicContact OE2-NH1 3.44Å; E978-R981 PolarHBondContact OE2-NH1 3.15Å; E978-E982 WeakPolarHBondContact O-CB 3.17Å; E978-E982 PolarHBondContact O-N 3.45Å; E978-R985 IonicContact OE1-NH2 3.43Å; E978-R985 PolarHBondContact OE1-NH2 3.17Å
979	Y	84.9	Confident	76.3	Confident	15 Å²	15	64.5 Å²	64.5	6%	0.059	31%	0.313	C	S	.	.	H	α-helix	trans	-56	-37.2	172.1	173.4	-125	0	0	0	112.8	Y875 I876 R877 T880 R975 T977 M983	Y875-Y979 PolarHBondContact O-OH 3.45Å; I876-Y979 WeakPolarHBondContact CA-OH 3.4Å; R877-Y979 PolarHBondContact N-OH 2.88Å; R877-Y979 PolarHBondContact NE-OH 3.24Å; R877-Y979 VanDerWaalsContact NH2-CE1 3.26Å; T880-Y979 HydrophobicContact CG2-CE1 4.3Å; R975-Y979 PolarHBondContact O-N 3.21Å; T977-Y979 VanDerWaalsContact C-N 3.33Å; T977-Y979 PolarHBondContact O-N 3.19Å; Y979-M983 HydrophobicContact CD1-CE 3.78Å; Y979-M983 HydrophobicContact CD2-CE 4.37Å; Y979-M983 HydrophobicContact CD2-CG 4.37Å; Y979-M983 HydrophobicContact CE1-CE 3.5Å; Y979-M983 VanDerWaalsContact CE1-CE 3.5Å; Y979-M983 HydrophobicContact CE1-SD 4.02Å; Y979-M983 HydrophobicContact CE2-CE 4.1Å; Y979-M983 HydrophobicContact CE2-CG 3.99Å; Y979-M983 HydrophobicContact CE2-SD 3.8Å; Y979-M983 HydrophobicContact CG-CE 4.22Å; Y979-M983 VanDerWaalsContact CZ-SD 3.51Å; Y979-M983 WeakPolarHBondContact O-CG 3.37Å; Y979-M983 PolarHBondContact O-N 2.78Å
980	V	86.5	Confident	79	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-73.8	-35.4	173.7	-178.7	0	0	0	0	111.7	H882 I932 L934 D976 T977 E978 E982 M983 R984	H882-V980 HydrophobicContact CB-CG2 3.71Å; I932-V980 HydrophobicContact CD1-CG1 4.1Å; I932-V980 HydrophobicContact CG2-CG1 4.33Å; L934-V980 HydrophobicContact CD1-CB 4.27Å; L934-V980 HydrophobicContact CD1-CG1 4.18Å; L934-V980 HydrophobicContact CD2-CB 3.92Å; L934-V980 HydrophobicContact CD2-CG1 3.98Å; L934-V980 HydrophobicContact CD2-CG2 4.28Å; L934-V980 HydrophobicContact CG-CG1 4.46Å; D976-V980 PolarHBondContact O-N 3.2Å; T977-V980 PolarHBondContact O-N 3.46Å; E978-V980 VanDerWaalsContact C-N 3.26Å; E978-V980 PolarHBondContact O-N 3.33Å; V980-E982 VanDerWaalsContact C-N 3.33Å; V980-M983 HydrophobicContact CG2-CE 4.08Å; V980-M983 PolarHBondContact O-N 3.43Å; V980-R984 HydrophobicContact CG1-CG 4.47Å; V980-R984 WeakPolarHBondContact O-CB 3.31Å; V980-R984 VanDerWaalsContact O-CG 3.25Å; V980-R984 WeakPolarHBondContact O-CG 3.43Å; V980-R984 PolarHBondContact O-N 2.99Å
981	R	89.1	Confident	81.5	Confident	105 Å²	105	59.1 Å²	59.1	40%	0.396	29%	0.293	S	S	.	.	H	α-helix	trans	-63.8	-39.4	173.1	-60	-164.3	-167.5	103.1	0.3	111.9	L934 T977 E978 R984 R985	L934-R981 HydrophobicContact CD1-CG 3.87Å; T977-R981 PolarHBondContact O-N 3.04Å; T977-R981 VanDerWaalsContact O-N 3.17Å; E978-R981 CarbonylContact O-C 3.6Å; E978-R981 WeakPolarHBondContact O-CA 3.33Å; E978-R981 WeakPolarHBondContact O-CB 3.46Å; E978-R981 PolarHBondContact O-N 2.97Å; E978-R981 WeakPolarHBondContact OE2-CD 3.48Å; E978-R981 IonicContact OE2-CZ 3.36Å; E978-R981 IonicContact OE2-NE 3.3Å; E978-R981 IonicContact OE2-NH1 3.44Å; E978-R981 PolarHBondContact OE2-NH1 3.15Å; R981-R984 PolarHBondContact O-N 2.77Å; R981-R985 WeakPolarHBondContact O-CB 3.49Å; R981-R985 PolarHBondContact O-N 2.99Å
982	E	89.2	Confident	83.5	Confident	64 Å²	64	59.6 Å²	59.6	30%	0.299	29%	0.287	S	S	.	.	H	α-helix	trans	-60.4	-54.3	173.7	-176.6	-171.3	-163	0	0	110.9	Y868 E978 V980 R984 R985 H986	Y868-E982 WeakPolarHBondContact CE2-OE1 3.31Å; Y868-E982 PolarHBondContact OH-OE1 3.37Å; E978-E982 WeakPolarHBondContact O-CB 3.17Å; E978-E982 PolarHBondContact O-N 3.45Å; V980-E982 VanDerWaalsContact C-N 3.33Å; E982-R984 VanDerWaalsContact C-N 3.3Å; E982-R984 PolarHBondContact O-N 2.67Å; E982-R985 WeakPolarHBondContact O-CB 3.07Å; E982-R985 PolarHBondContact O-N 3.34Å; E982-H986 PolarHBondContact O-N 3.07Å
983	M	90.8	Very high	85.4	Confident	7 Å²	7	58.3 Å²	58.3	3%	0.034	28%	0.279	C	S	.	.	H	α-helix	trans	-59.5	-37.9	177.1	-70.5	-173	-66.9	0	0	112.6	I876 V883 L929 Y979 V980 H986 V987	I876-M983 HydrophobicContact CG1-SD 4.06Å; V883-M983 HydrophobicContact CG2-CE 4.42Å; L929-M983 HydrophobicContact CD1-CB 3.93Å; L929-M983 HydrophobicContact CD2-CB 4.23Å; L929-M983 HydrophobicContact CD2-CE 3.98Å; L929-M983 HydrophobicContact CD2-SD 4.38Å; Y979-M983 HydrophobicContact CD1-CE 3.78Å; Y979-M983 HydrophobicContact CD2-CE 4.37Å; Y979-M983 HydrophobicContact CD2-CG 4.37Å; Y979-M983 HydrophobicContact CE1-CE 3.5Å; Y979-M983 VanDerWaalsContact CE1-CE 3.5Å; Y979-M983 HydrophobicContact CE1-SD 4.02Å; Y979-M983 HydrophobicContact CE2-CE 4.1Å; Y979-M983 HydrophobicContact CE2-CG 3.99Å; Y979-M983 HydrophobicContact CE2-SD 3.8Å; Y979-M983 HydrophobicContact CG-CE 4.22Å; Y979-M983 VanDerWaalsContact CZ-SD 3.51Å; Y979-M983 WeakPolarHBondContact O-CG 3.37Å; Y979-M983 PolarHBondContact O-N 2.78Å; V980-M983 HydrophobicContact CG2-CE 4.08Å; V980-M983 PolarHBondContact O-N 3.43Å; M983-H986 PolarHBondContact O-N 3.48Å; M983-V987 WeakPolarHBondContact O-CG2 3.48Å; M983-V987 PolarHBondContact O-N 3.27Å
984	R	92.4	Very high	87.2	Confident	73 Å²	73	57.1 Å²	57.1	28%	0.275	27%	0.272	S	S	.	.	H	α-helix	trans	-62.5	-40.3	173.6	-76.7	171.6	177.2	-171.9	-0.4	112.6	L929 Q930 I932 V980 R981 E982 A988	L929-R984 HydrophobicContact CB-CG 4.2Å; L929-R984 PolarHBondContact O-NE 3.07Å; L929-R984 PolarHBondContact O-NH2 2.77Å; Q930-R984 PolarHBondContact O-NH2 3.06Å; I932-R984 PolarHBondContact O-NH2 3.05Å; V980-R984 HydrophobicContact CG1-CG 4.47Å; V980-R984 WeakPolarHBondContact O-CB 3.31Å; V980-R984 VanDerWaalsContact O-CG 3.25Å; V980-R984 WeakPolarHBondContact O-CG 3.43Å; V980-R984 PolarHBondContact O-N 2.99Å; R981-R984 PolarHBondContact O-N 2.77Å; E982-R984 VanDerWaalsContact C-N 3.3Å; E982-R984 PolarHBondContact O-N 2.67Å; R984-A988 VanDerWaalsContact O-CB 3.32Å; R984-A988 WeakPolarHBondContact O-CB 3.46Å; R984-A988 PolarHBondContact O-N 3.02Å; R984-A988 VanDerWaalsContact O-N 3.14Å
985	R	92.9	Very high	88.8	Confident	153 Å²	153	53.3 Å²	53.3	58%	0.577	25%	0.252	S	S	*	.	H	α-helix	trans	-66.3	-47.4	176.2	-164.1	-176.2	-55.3	149.3	11.1	110.2	E978 R981 E982 V987 A988 E989	E978-R985 IonicContact OE1-NH2 3.43Å; E978-R985 PolarHBondContact OE1-NH2 3.17Å; R981-R985 WeakPolarHBondContact O-CB 3.49Å; R981-R985 PolarHBondContact O-N 2.99Å; E982-R985 WeakPolarHBondContact O-CB 3.07Å; E982-R985 PolarHBondContact O-N 3.34Å; R985-V987 PolarHBondContact O-N 2.87Å; R985-A988 WeakPolarHBondContact O-CB 3.22Å; R985-A988 PolarHBondContact O-N 3.38Å; R985-A988 VanDerWaalsContact O-N 3.12Å; R985-E989 PolarHBondContact O-N 2.93Å
986	H	93.4	Very high	90.1	Very high	32 Å²	32	46.7 Å²	46.7	15%	0.148	23%	0.227	C	C	.	.	H	α-helix	trans	-58	-49.6	178.7	-165.1	71.8	0	0	0	112.6	N870 F873 E982 M983 A988 E989 Y990	N870-H986 PolarHBondContact O-CE1 3.49Å; N870-H986 PolarHBondContact O-NE2 3.45Å; F873-H986 PolarHBondContact O-NE2 3.15Å; E982-H986 PolarHBondContact O-N 3.07Å; M983-H986 PolarHBondContact O-N 3.48Å; H986-A988 PolarHBondContact O-N 2.91Å; H986-E989 PolarHBondContact O-N 3.48Å; H986-Y990 AromaticContact CE1-CD2 3.64Å; H986-Y990 AromaticContact ND1-CD2 3.71Å; H986-Y990 PolarHBondContact O-N 3.32Å
987	V	92.9	Very high	91.2	Very high	9 Å²	9	45.6 Å²	45.6	6%	0.055	22%	0.221	C	C	.	.	H	α-helix	trans	-75.6	-11.3	179.3	179.9	0	0	0	0	112.7	V874 K926 L929 M983 R985	V874-V987 HydrophobicContact CB-CG2 4.13Å; V874-V987 HydrophobicContact CG1-CG2 4.31Å; V874-V987 HydrophobicContact CG2-CG2 3.76Å; K926-V987 HydrophobicContact CB-CG1 3.66Å; K926-V987 HydrophobicContact CD-CG1 4.44Å; K926-V987 HydrophobicContact CG-CG1 4.06Å; L929-V987 HydrophobicContact CD1-CB 4.48Å; L929-V987 HydrophobicContact CD1-CG2 4Å; M983-V987 WeakPolarHBondContact O-CG2 3.48Å; M983-V987 PolarHBondContact O-N 3.27Å; R985-V987 PolarHBondContact O-N 2.87Å
988	A	92.4	Very high	91.8	Very high	60 Å²	60	45.1 Å²	45.1	50%	0.496	22%	0.218	S	C	.	.	H	α-helix	trans	-81.2	-35.6	167.5	0	0	0	0	0	112.5	R984 R985 H986	R984-A988 VanDerWaalsContact O-CB 3.32Å; R984-A988 WeakPolarHBondContact O-CB 3.46Å; R984-A988 PolarHBondContact O-N 3.02Å; R984-A988 VanDerWaalsContact O-N 3.14Å; R985-A988 WeakPolarHBondContact O-CB 3.22Å; R985-A988 PolarHBondContact O-N 3.38Å; R985-A988 VanDerWaalsContact O-N 3.12Å; H986-A988 PolarHBondContact O-N 2.91Å
989	E	93.5	Very high	92	Very high	117 Å²	117	41.7 Å²	41.7	55%	0.547	20%	0.202	S	C	.	.	H	α-helix	trans	-81.4	-40.5	177.7	-168	178.9	152.2	0	0	112.4	R985 H986 P991	R985-E989 PolarHBondContact O-N 2.93Å; H986-E989 PolarHBondContact O-N 3.48Å; E989-P991 VanDerWaalsContact C-CD 3.48Å; E989-P991 VanDerWaalsContact O-CD 3.23Å; E989-P991 WeakPolarHBondContact O-CD 3.19Å
990	Y	94.5	Very high	91.4	Very high	30 Å²	30	44.5 Å²	44.5	12%	0.118	21%	0.212	C	C	.	.			trans	-117.6	71.2	-177.5	-56.4	-81.7	0	0	0	110.9	K714 S871 H986 N992 A993	K714-Y990 HydrophobicContact CB-CE1 3.99Å; K714-Y990 HydrophobicContact CD-CE1 4.01Å; K714-Y990 HydrophobicContact CG-CE1 4.21Å; K714-Y990 PolarHBondContact NZ-OH 3.12Å; S871-Y990 VanDerWaalsContact CB-CD1 3.48Å; H986-Y990 AromaticContact CE1-CD2 3.64Å; H986-Y990 AromaticContact ND1-CD2 3.71Å; H986-Y990 PolarHBondContact O-N 3.32Å; Y990-N992 PolarHBondContact O-N 2.82Å; Y990-N992 VanDerWaalsContact O-N 3.15Å; Y990-A993 VanDerWaalsContact O-CB 3.29Å; Y990-A993 WeakPolarHBondContact O-CB 3.31Å; Y990-A993 PolarHBondContact O-N 2.71Å; Y990-A993 VanDerWaalsContact O-N 3.1Å
991	P	91.5	Very high	90.6	Very high	83 Å²	83	44.7 Å²	44.7	54%	0.539	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-16.7	-171.7	27.9	-36.9	0	0	0	114.8	E989	E989-P991 VanDerWaalsContact C-CD 3.48Å; E989-P991 VanDerWaalsContact O-CD 3.23Å; E989-P991 WeakPolarHBondContact O-CD 3.19Å
992	N	93.3	Very high	89.5	Confident	71 Å²	71	39.7 Å²	39.7	38%	0.38	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	5.1	177.1	-66.5	-29.2	0	0	0	113.1	D715 I716 Y990 Q994	D715-N992 PolarHBondContact OD1-ND2 3.36Å; D715-N992 PolarHBondContact OD2-ND2 3.1Å; I716-N992 HydrophobicContact CG2-CB 4.37Å; I716-N992 WeakPolarHBondContact CG2-O 3.4Å; Y990-N992 PolarHBondContact O-N 2.82Å; Y990-N992 VanDerWaalsContact O-N 3.15Å; N992-Q994 PolarHBondContact O-NE2 2.99Å
993	A	94.2	Very high	88.6	Confident	14 Å²	14	36.7 Å²	36.7	12%	0.116	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-60.3	136.5	178.8	0	0	0	0	0	111.4	Y990	Y990-A993 VanDerWaalsContact O-CB 3.29Å; Y990-A993 WeakPolarHBondContact O-CB 3.31Å; Y990-A993 PolarHBondContact O-N 2.71Å; Y990-A993 VanDerWaalsContact O-N 3.1Å
994	Q	94.6	Very high	88.4	Confident	36 Å²	36	36.5 Å²	36.5	17%	0.168	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	142.1	-173.1	-60.8	-59.1	-73.6	0	0	112.3	I716 L847 P848 D872 F873 V874 N992	I716-Q994 HydrophobicContact CD1-CG 4.29Å; I716-Q994 HydrophobicContact CG2-CG 4.4Å; L847-Q994 VanDerWaalsContact CB-CD 3.5Å; L847-Q994 HydrophobicContact CB-CG 3.92Å; L847-Q994 VanDerWaalsContact CB-OE1 3.23Å; L847-Q994 HydrophobicContact CD1-CG 4.44Å; P848-Q994 WeakPolarHBondContact O-CB 3.11Å; D872-Q994 PolarHBondContact O-N 2.87Å; F873-Q994 CarbonylContact C-O 3.39Å; F873-Q994 VanDerWaalsContact CA-O 3.23Å; F873-Q994 WeakPolarHBondContact CA-O 3.46Å; F873-Q994 HydrophobicContact CD1-CB 4Å; F873-Q994 HydrophobicContact CE1-CB 4.24Å; V874-Q994 PolarHBondContact N-O 2.52Å; N992-Q994 PolarHBondContact O-NE2 2.99Å
995	V	95.1	Very high	88.1	Confident	4 Å²	4	33 Å²	33	2%	0.024	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	130.8	-174.1	-173.6	0	0	0	0	111.2	V850 V874 I876 T925 L997	V850-V995 PolarHBondContact N-O 3.14Å; V874-V995 HydrophobicContact CG1-CB 4.44Å; V874-V995 HydrophobicContact CG1-CG2 4.06Å; I876-V995 HydrophobicContact CD1-CG1 3.92Å; I876-V995 HydrophobicContact CG1-CG1 4.47Å; T925-V995 HydrophobicContact CG2-CG2 4.06Å; T925-V995 VanDerWaalsContact OG1-CG2 3.23Å; T925-V995 WeakPolarHBondContact OG1-CG2 3.32Å; V995-L997 HydrophobicContact CG1-CD2 3.56Å; V995-L997 HydrophobicContact CG1-CG 3.9Å
996	V	96.3	Very high	88	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	104.3	171	-176.1	0	0	0	0	108.6	V850 I852 F867 F873 V874 Y875 I876	V850-V996 HydrophobicContact CB-CB 4.25Å; V850-V996 HydrophobicContact CB-CG1 4.03Å; V850-V996 HydrophobicContact CB-CG2 3.98Å; V850-V996 HydrophobicContact CG1-CG1 4.13Å; V850-V996 HydrophobicContact CG2-CG2 4.06Å; V850-V996 WeakPolarHBondContact O-CA 3.33Å; I852-V996 HydrophobicContact CD1-CG1 3.9Å; I852-V996 HydrophobicContact CG1-CG1 4.31Å; F867-V996 HydrophobicContact CB-CB 4.43Å; F867-V996 HydrophobicContact CB-CG1 4.38Å; F867-V996 HydrophobicContact CB-CG2 4.08Å; F867-V996 HydrophobicContact CD1-CG1 4.49Å; F867-V996 HydrophobicContact CD1-CG2 3.82Å; F867-V996 HydrophobicContact CD2-CG1 3.78Å; F867-V996 HydrophobicContact CE1-CG2 4.43Å; F867-V996 HydrophobicContact CE2-CG1 4.18Å; F867-V996 HydrophobicContact CG-CB 4.35Å; F867-V996 HydrophobicContact CG-CG1 3.95Å; F867-V996 HydrophobicContact CG-CG2 3.88Å; F873-V996 HydrophobicContact CB-CG2 3.9Å; F873-V996 HydrophobicContact CD1-CG2 3.48Å; F873-V996 VanDerWaalsContact CD1-CG2 3.48Å; F873-V996 HydrophobicContact CE1-CG2 4.3Å; F873-V996 HydrophobicContact CG-CG2 3.96Å; V874-V996 PolarHBondContact O-N 3.06Å; Y875-V996 HydrophobicContact CD2-CB 4.28Å; Y875-V996 HydrophobicContact CD2-CG1 3.85Å; Y875-V996 HydrophobicContact CE2-CG1 4.38Å; I876-V996 PolarHBondContact N-O 2.8Å
997	L	94.3	Very high	87.8	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	113.6	177.2	-58.9	-179.1	0	0	0	109.7	V850 V851 I852 I876 L918 V922 V995 M999	V850-L997 PolarHBondContact O-N 3.01Å; V851-L997 CarbonylContact C-O 3.57Å; V851-L997 WeakPolarHBondContact CA-O 3.42Å; V851-L997 HydrophobicContact CG2-CB 4.45Å; V851-L997 HydrophobicContact CG2-CD1 4.35Å; I852-L997 PolarHBondContact N-O 3.03Å; I876-L997 HydrophobicContact CB-CD2 4.07Å; I876-L997 HydrophobicContact CD1-CD2 4.43Å; I876-L997 HydrophobicContact CG2-CD2 4.38Å; L918-L997 HydrophobicContact CD2-CD1 3.98Å; V922-L997 HydrophobicContact CG2-CD1 4.44Å; V995-L997 HydrophobicContact CG1-CD2 3.56Å; V995-L997 HydrophobicContact CG1-CG 3.9Å; L997-M999 HydrophobicContact CB-SD 3.88Å
998	N	92.3	Very high	87.8	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	105.8	166.4	-173.4	-7.8	0	0	0	110	I852 S860 Y875 I876 V878	I852-N998 HydrophobicContact CB-CB 4.36Å; S860-N998 PolarHBondContact O-ND2 3.07Å; S860-N998 PolarHBondContact OG-ND2 3.31Å; S860-N998 VanDerWaalsContact OG-ND2 3.15Å; S860-N998 PolarHBondContact OG-OD1 3.01Å; Y875-N998 HydrophobicContact CE2-CB 3.95Å; Y875-N998 PolarHBondContact OH-ND2 2.92Å; I876-N998 PolarHBondContact O-N 3.24Å; V878-N998 PolarHBondContact N-O 3.43Å
999	M	87.6	Confident	87.8	Confident	2 Å²	2	21.3 Å²	21.3	1%	0.01	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	105.1	-177.7	-51.1	-55.2	-71	0	0	109.4	V851 I852 T853 V878 W917 L997 W1004	V851-M999 HydrophobicContact CG1-CG 3.88Å; I852-M999 PolarHBondContact O-N 2.98Å; T853-M999 HydrophobicContact CG2-CB 4.32Å; T853-M999 HydrophobicContact CG2-CG 4.45Å; V878-M999 HydrophobicContact CB-CE 4.17Å; V878-M999 HydrophobicContact CB-SD 3.88Å; V878-M999 HydrophobicContact CG1-CE 4.05Å; V878-M999 HydrophobicContact CG1-SD 4.41Å; V878-M999 HydrophobicContact CG2-SD 4.13Å; W917-M999 HydrophobicContact CH2-CE 4.27Å; L997-M999 HydrophobicContact CB-SD 3.88Å; M999-W1004 HydrophobicContact CB-CB 3.9Å; M999-W1004 HydrophobicContact CB-CG 3.9Å; M999-W1004 HydrophobicContact CE-CD2 3.46Å; M999-W1004 VanDerWaalsContact CE-CD2 3.46Å; M999-W1004 HydrophobicContact CE-CE3 4.04Å; M999-W1004 HydrophobicContact CE-CG 3.74Å; M999-W1004 HydrophobicContact CE-CH2 4.29Å; M999-W1004 HydrophobicContact CE-CZ2 3.77Å; M999-W1004 HydrophobicContact CE-CZ3 4.42Å; M999-W1004 HydrophobicContact CG-CB 4.3Å; M999-W1004 HydrophobicContact CG-CG 4.27Å
1000	R	72.8	Confident	87.8	Confident	74 Å²	74	15.8 Å²	15.8	28%	0.279	8%	0.083	S	C	.	.			trans	-83.3	-14.9	-167.7	-62.7	172.9	106.5	177.9	2.7	115.2	E861 V878	E861-R1000 IonicContact OE1-CZ 3.31Å; E861-R1000 IonicContact OE1-NE 3.43Å; E861-R1000 PolarHBondContact OE1-NE 3.29Å; E861-R1000 IonicContact OE1-NH2 3.39Å; E861-R1000 PolarHBondContact OE1-NH2 2.73Å; V878-R1000 PolarHBondContact O-N 2.8Å
1001	S	69.9	Low	87.7	Confident	5 Å²	5	14.4 Å²	14.4	4%	0.035	8%	0.078	C	C	.	.	S	Bend	trans	-87.5	139.7	168	178.8	0	0	0	0	110.2	D893 S894 L895 S1003	D893-S1001 PolarHBondContact O-OG 3.2Å; S894-S1001 WeakPolarHBondContact O-CB 3.29Å; S894-S1001 PolarHBondContact O-OG 3.44Å; L895-S1001 PolarHBondContact N-OG 3.09Å; S1001-S1003 WeakPolarHBondContact CB-OG 3.47Å; S1001-S1003 PolarHBondContact O-N 2.95Å; S1001-S1003 VanDerWaalsContact O-N 3.08Å; S1001-S1003 WeakPolarHBondContact OG-CB 3.35Å; S1001-S1003 PolarHBondContact OG-N 2.61Å; S1001-S1003 VanDerWaalsContact OG-N 3.17Å; S1001-S1003 PolarHBondContact OG-OG 3.24Å
1002	G	65.6	Low	87.8	Confident	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-62.3	-11.2	171.4	0	0	0	0	0	113.6	A854 W1004 H1098	A854-G1002 WeakPolarHBondContact O-CA 3.26Å; G1002-W1004 PolarHBondContact O-N 3.18Å; G1002-H1098 PolarHBondContact O-NE2 2.41Å
1003	S	71.3	Confident	87.7	Confident	1 Å²	1	11.2 Å²	11.2	1%	0.007	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-63	-19.2	-178.9	63.7	0	0	0	0	115.4	S1001 K1007	S1001-S1003 WeakPolarHBondContact CB-OG 3.47Å; S1001-S1003 PolarHBondContact O-N 2.95Å; S1001-S1003 VanDerWaalsContact O-N 3.08Å; S1001-S1003 WeakPolarHBondContact OG-CB 3.35Å; S1001-S1003 PolarHBondContact OG-N 2.61Å; S1001-S1003 VanDerWaalsContact OG-N 3.17Å; S1001-S1003 PolarHBondContact OG-OG 3.24Å; S1003-K1007 WeakPolarHBondContact O-CD 3.43Å; S1003-K1007 PolarHBondContact O-NZ 2.79Å
1004	W	85	Confident	87.6	Confident	2 Å²	2	11.3 Å²	11.3	1%	0.008	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-86.9	-21.8	-173.3	-70.1	97.9	0	0	0	114.7	T853 I885 F892 I914 W917 M999 G1002 L1006 K1007 L1008 I1011	T853-W1004 HydrophobicContact CG2-CB 4.18Å; I885-W1004 HydrophobicContact CD1-CZ2 3.75Å; I885-W1004 HydrophobicContact CG1-CZ2 3.96Å; I885-W1004 HydrophobicContact CG2-CZ2 4.09Å; F892-W1004 AromaticContact CD1-CZ2 3.88Å; F892-W1004 HydrophobicContact CD1-CZ2 3.88Å; F892-W1004 HydrophobicContact CE1-CD2 4.29Å; F892-W1004 AromaticContact CE1-CE2 3.64Å; F892-W1004 HydrophobicContact CE1-CE3 4.49Å; F892-W1004 AromaticContact CE1-CH2 3.57Å; F892-W1004 HydrophobicContact CE1-CH2 3.57Å; F892-W1004 AromaticContact CE1-CZ2 3.26Å; F892-W1004 HydrophobicContact CE1-CZ2 3.26Å; F892-W1004 HydrophobicContact CE1-CZ3 4.18Å; F892-W1004 AromaticContact CZ-CH2 3.65Å; F892-W1004 HydrophobicContact CZ-CH2 3.65Å; F892-W1004 AromaticContact CZ-CZ2 3.69Å; F892-W1004 HydrophobicContact CZ-CZ2 3.69Å; F892-W1004 HydrophobicContact CZ-CZ3 4.4Å; I914-W1004 HydrophobicContact CG2-CH2 4.02Å; I914-W1004 HydrophobicContact CG2-CZ3 4.48Å; W917-W1004 HydrophobicContact CZ3-CH2 4.14Å; M999-W1004 HydrophobicContact CB-CB 3.9Å; M999-W1004 HydrophobicContact CB-CG 3.9Å; M999-W1004 HydrophobicContact CE-CD2 3.46Å; M999-W1004 VanDerWaalsContact CE-CD2 3.46Å; M999-W1004 HydrophobicContact CE-CE3 4.04Å; M999-W1004 HydrophobicContact CE-CG 3.74Å; M999-W1004 HydrophobicContact CE-CH2 4.29Å; M999-W1004 HydrophobicContact CE-CZ2 3.77Å; M999-W1004 HydrophobicContact CE-CZ3 4.42Å; M999-W1004 HydrophobicContact CG-CB 4.3Å; M999-W1004 HydrophobicContact CG-CG 4.27Å; G1002-W1004 PolarHBondContact O-N 3.18Å; W1004-L1006 VanDerWaalsContact C-N 3.29Å; W1004-L1006 PolarHBondContact O-N 2.86Å; W1004-K1007 HydrophobicContact CE3-CB 4.26Å; W1004-K1007 HydrophobicContact CE3-CD 3.98Å; W1004-K1007 HydrophobicContact CZ3-CD 4.24Å; W1004-K1007 PolarHBondContact O-N 3.1Å; W1004-L1008 PolarHBondContact O-N 3.48Å; W1004-I1011 HydrophobicContact CE3-CD1 4.04Å
1005	T	87.8	Confident	87.4	Confident	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.048	C	C	.	.	G	3₁₀ helix	trans	-64.2	-34.1	179.7	-48.6	0	0	0	0	112.1	T853 K1007 L1008 Y1023 A1102	T853-T1005 WeakPolarHBondContact CB-OG1 3.4Å; T853-T1005 PolarHBondContact OG1-OG1 3.11Å; T1005-K1007 PolarHBondContact O-N 3.32Å; T1005-L1008 HydrophobicContact CG2-CD1 4.11Å; T1005-L1008 WeakPolarHBondContact O-CG 3.45Å; T1005-Y1023 HydrophobicContact CG2-CD2 3.72Å; T1005-Y1023 HydrophobicContact CG2-CE2 3.82Å; T1005-Y1023 HydrophobicContact CG2-CG 4.41Å; T1005-A1102 HydrophobicContact CG2-CB 3.5Å; T1005-A1102 VanDerWaalsContact CG2-CB 3.5Å
1006	L	89	Confident	87.2	Confident	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-79.4	3.1	175.8	-51.2	-175.9	0	0	0	113.8	E900 W901 W1004 A1070 F1073 A1101 V1105	E900-L1006 WeakPolarHBondContact CA-O 3.09Å; W901-L1006 PolarHBondContact N-O 3.07Å; W901-L1006 VanDerWaalsContact N-O 3.07Å; W1004-L1006 VanDerWaalsContact C-N 3.29Å; W1004-L1006 PolarHBondContact O-N 2.86Å; L1006-A1070 HydrophobicContact CD1-CB 4.04Å; L1006-F1073 HydrophobicContact CD1-CE2 4.11Å; L1006-A1101 HydrophobicContact CD1-CB 4.46Å; L1006-A1101 HydrophobicContact CD2-CB 3.56Å; L1006-V1105 HydrophobicContact CD2-CG2 4.04Å
1007	K	90.5	Very high	86.8	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-115.6	3.3	-179.5	-58.8	174.9	175.5	50.4	0	112	F892 D897 C899 W901 S1003 W1004 T1005 P1009 F1010 I1011	F892-K1007 HydrophobicContact CE1-CD 4.09Å; D897-K1007 IonicContact OD2-NZ 2.87Å; D897-K1007 PolarHBondContact OD2-NZ 3.4Å; C899-K1007 PolarHBondContact O-NZ 2.59Å; W901-K1007 HydrophobicContact CB-CB 4.31Å; W901-K1007 HydrophobicContact CB-CG 4.01Å; W901-K1007 HydrophobicContact CD2-CB 4.44Å; W901-K1007 HydrophobicContact CD2-CD 3.69Å; W901-K1007 HydrophobicContact CD2-CG 3.77Å; W901-K1007 VanDerWaalsContact CE2-CE 3.4Å; W901-K1007 HydrophobicContact CE3-CB 4.26Å; W901-K1007 HydrophobicContact CE3-CD 3.78Å; W901-K1007 HydrophobicContact CE3-CG 4Å; W901-K1007 HydrophobicContact CG-CB 4.49Å; W901-K1007 HydrophobicContact CG-CD 4.19Å; W901-K1007 HydrophobicContact CG-CG 3.77Å; W901-K1007 HydrophobicContact CH2-CD 4.33Å; W901-K1007 HydrophobicContact CZ2-CD 4.23Å; W901-K1007 HydrophobicContact CZ3-CD 4.11Å; S1003-K1007 WeakPolarHBondContact O-CD 3.43Å; S1003-K1007 PolarHBondContact O-NZ 2.79Å; W1004-K1007 HydrophobicContact CE3-CB 4.26Å; W1004-K1007 HydrophobicContact CE3-CD 3.98Å; W1004-K1007 HydrophobicContact CZ3-CD 4.24Å; W1004-K1007 PolarHBondContact O-N 3.1Å; T1005-K1007 PolarHBondContact O-N 3.32Å; K1007-P1009 VanDerWaalsContact C-CD 3.43Å; K1007-P1009 VanDerWaalsContact C-N 3.34Å; K1007-F1010 WeakPolarHBondContact O-CB 3.39Å; K1007-F1010 PolarHBondContact O-N 2.66Å; K1007-I1011 WeakPolarHBondContact O-CG1 3.44Å; K1007-I1011 PolarHBondContact O-N 2.91Å
1008	L	92.5	Very high	86.6	Confident	2 Å²	2	18.6 Å²	18.6	1%	0.01	10%	0.099	C	C	.	.	H	α-helix	trans	-56.4	-35.6	176	-67.3	174.6	0	0	0	113.9	V851 T853 W1004 T1005 I1011 Q1012 A1021 V1105 L1109 Y1114	V851-L1008 HydrophobicContact CG1-CD2 4.44Å; T853-L1008 HydrophobicContact CG2-CD2 4.13Å; W1004-L1008 PolarHBondContact O-N 3.48Å; T1005-L1008 HydrophobicContact CG2-CD1 4.11Å; T1005-L1008 WeakPolarHBondContact O-CG 3.45Å; L1008-I1011 HydrophobicContact CD2-CD1 4.34Å; L1008-I1011 PolarHBondContact O-N 3.02Å; L1008-Q1012 VanDerWaalsContact O-CB 3.27Å; L1008-Q1012 WeakPolarHBondContact O-CB 3.26Å; L1008-Q1012 PolarHBondContact O-N 2.93Å; L1008-A1021 HydrophobicContact CD1-CB 4.15Å; L1008-A1021 HydrophobicContact CD2-CB 3.82Å; L1008-V1105 HydrophobicContact CB-CG1 4.48Å; L1008-L1109 HydrophobicContact CB-CD1 3.9Å; L1008-L1109 HydrophobicContact CB-CD2 4.48Å; L1008-L1109 HydrophobicContact CD1-CD1 4.25Å; L1008-Y1114 HydrophobicContact CD1-CD2 4.14Å; L1008-Y1114 HydrophobicContact CD1-CE2 4.05Å
1009	P	93.1	Very high	86.7	Confident	7 Å²	7	18.6 Å²	18.6	5%	0.045	10%	0.099	C	C	.	.	H	α-helix	trans	-66.3	-41	175.4	-22	35	0	0	0	112.5	R903 K1007 Q1012 E1013 V1105 L1109	R903-P1009 HydrophobicContact CG-CB 4.12Å; R903-P1009 WeakPolarHBondContact CG-O 3.26Å; K1007-P1009 VanDerWaalsContact C-CD 3.43Å; K1007-P1009 VanDerWaalsContact C-N 3.34Å; P1009-Q1012 PolarHBondContact O-N 3.15Å; P1009-E1013 PolarHBondContact O-N 2.91Å; P1009-E1013 VanDerWaalsContact O-N 3.16Å; P1009-V1105 HydrophobicContact CG-CG1 3.65Å; P1009-L1109 HydrophobicContact CG-CD2 4.36Å
1010	F	92.9	Very high	87.1	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.6	-46.9	170.7	173.8	-83.1	0	0	0	111.3	W901 D905 A906 F911 Q915 L918 K1007 Q1012 E1013 V1014	W901-F1010 HydrophobicContact CB-CB 3.71Å; W901-F1010 HydrophobicContact CB-CD2 4.38Å; W901-F1010 HydrophobicContact CB-CG 4.22Å; W901-F1010 HydrophobicContact CE3-CB 4.35Å; W901-F1010 AromaticContact CE3-CD1 3.77Å; W901-F1010 HydrophobicContact CE3-CD1 3.77Å; W901-F1010 AromaticContact CE3-CD2 4Å; W901-F1010 HydrophobicContact CE3-CD2 4Å; W901-F1010 AromaticContact CE3-CE1 3.98Å; W901-F1010 HydrophobicContact CE3-CE1 3.98Å; W901-F1010 HydrophobicContact CE3-CE2 4.2Å; W901-F1010 AromaticContact CE3-CG 3.79Å; W901-F1010 HydrophobicContact CE3-CG 3.79Å; W901-F1010 HydrophobicContact CE3-CZ 4.19Å; W901-F1010 HydrophobicContact CZ3-CD1 4.2Å; W901-F1010 AromaticContact CZ3-CE1 3.97Å; W901-F1010 HydrophobicContact CZ3-CE1 3.97Å; W901-F1010 HydrophobicContact CZ3-CZ 4.15Å; W901-F1010 PolarHBondContact O-N 3.12Å; D905-F1010 HydrophobicContact CB-CD2 4.47Å; A906-F1010 HydrophobicContact CB-CD2 3.6Å; A906-F1010 HydrophobicContact CB-CE2 3.86Å; A906-F1010 HydrophobicContact CB-CG 4.24Å; F911-F1010 HydrophobicContact CB-CE2 4.36Å; F911-F1010 HydrophobicContact CB-CZ 4.21Å; F911-F1010 HydrophobicContact CD2-CE2 4.25Å; Q915-F1010 HydrophobicContact CB-CZ 4.19Å; L918-F1010 HydrophobicContact CD1-CE1 4.16Å; K1007-F1010 WeakPolarHBondContact O-CB 3.39Å; K1007-F1010 PolarHBondContact O-N 2.66Å; F1010-Q1012 VanDerWaalsContact C-N 3.31Å; F1010-Q1012 PolarHBondContact O-N 2.7Å; F1010-E1013 PolarHBondContact O-N 2.96Å; F1010-E1013 VanDerWaalsContact O-N 3.16Å; F1010-V1014 HydrophobicContact CD1-CG2 4.13Å; F1010-V1014 HydrophobicContact CE1-CG2 3.84Å; F1010-V1014 HydrophobicContact CZ-CG2 4.11Å; F1010-V1014 WeakPolarHBondContact O-CG2 3.41Å; F1010-V1014 PolarHBondContact O-N 3.17Å
1011	I	92.6	Very high	88.1	Confident	2 Å²	2	16.4 Å²	16.4	1%	0.01	9%	0.091	C	C	.	.	H	α-helix	trans	-63	-37.7	178.1	-62.8	164.4	0	0	0	111.2	V851 L918 W1004 K1007 L1008 E1013 V1014 V1015 L1019	V851-I1011 HydrophobicContact CG2-CG2 4.34Å; L918-I1011 HydrophobicContact CD1-CG1 4.14Å; W1004-I1011 HydrophobicContact CE3-CD1 4.04Å; K1007-I1011 WeakPolarHBondContact O-CG1 3.44Å; K1007-I1011 PolarHBondContact O-N 2.91Å; L1008-I1011 HydrophobicContact CD2-CD1 4.34Å; L1008-I1011 PolarHBondContact O-N 3.02Å; I1011-E1013 VanDerWaalsContact C-N 3.28Å; I1011-E1013 PolarHBondContact O-N 2.85Å; I1011-V1014 PolarHBondContact O-N 3.18Å; I1011-V1015 HydrophobicContact CG2-CG2 3.89Å; I1011-V1015 WeakPolarHBondContact O-CB 3.37Å; I1011-V1015 WeakPolarHBondContact O-CG2 3.38Å; I1011-V1015 PolarHBondContact O-N 3.44Å; I1011-L1019 HydrophobicContact CB-CD2 4.47Å; I1011-L1019 HydrophobicContact CG2-CD1 3.93Å; I1011-L1019 HydrophobicContact CG2-CD2 4.01Å
1012	Q	92.8	Very high	89.4	Confident	13 Å²	13	16.2 Å²	16.2	6%	0.061	9%	0.09	C	C	.	.	H	α-helix	trans	-61.7	-35.2	175.7	179.6	56.3	82.9	0	0	112.2	L1008 P1009 F1010 G1016 L1019 L1109 S1113	L1008-Q1012 VanDerWaalsContact O-CB 3.27Å; L1008-Q1012 WeakPolarHBondContact O-CB 3.26Å; L1008-Q1012 PolarHBondContact O-N 2.93Å; P1009-Q1012 PolarHBondContact O-N 3.15Å; F1010-Q1012 VanDerWaalsContact C-N 3.31Å; F1010-Q1012 PolarHBondContact O-N 2.7Å; Q1012-G1016 VanDerWaalsContact NE2-C 3.29Å; Q1012-G1016 PolarHBondContact NE2-O 2.77Å; Q1012-G1016 VanDerWaalsContact O-CA 3.32Å; Q1012-G1016 WeakPolarHBondContact O-CA 3.48Å; Q1012-G1016 PolarHBondContact O-N 3.02Å; Q1012-L1019 HydrophobicContact CB-CD2 3.82Å; Q1012-L1109 HydrophobicContact CB-CD2 4Å; Q1012-L1109 HydrophobicContact CG-CD2 4.23Å; Q1012-S1113 VanDerWaalsContact OE1-CB 3.24Å; Q1012-S1113 PolarHBondContact OE1-OG 2.94Å
1013	E	92.6	Very high	90.7	Very high	73 Å²	73	16.3 Å²	16.3	34%	0.341	9%	0.09	S	C	.	.	H	α-helix	trans	-75.9	-34.4	174.7	-156.8	64.6	-146.8	0	0	112.2	R903 A906 L907 P1009 F1010 I1011	R903-E1013 HydrophobicContact CB-CB 4.33Å; R903-E1013 HydrophobicContact CB-CG 4.32Å; R903-E1013 WeakPolarHBondContact CD-OE2 3.5Å; R903-E1013 HydrophobicContact CG-CB 4.41Å; A906-E1013 HydrophobicContact CB-CB 3.83Å; A906-E1013 HydrophobicContact CB-CG 3.98Å; L907-E1013 HydrophobicContact CD2-CG 4.21Å; L907-E1013 HydrophobicContact CG-CG 4.02Å; P1009-E1013 PolarHBondContact O-N 2.91Å; P1009-E1013 VanDerWaalsContact O-N 3.16Å; F1010-E1013 PolarHBondContact O-N 2.96Å; F1010-E1013 VanDerWaalsContact O-N 3.16Å; I1011-E1013 VanDerWaalsContact C-N 3.28Å; I1011-E1013 PolarHBondContact O-N 2.85Å
1014	V	91.3	Very high	91.8	Very high	16 Å²	16	16.3 Å²	16.3	10%	0.097	9%	0.09	C	C	.	.	H	α-helix	trans	-77.3	-34.5	-179.7	174.6	0	0	0	0	113.3	A906 Q915 L918 F1010 I1011	A906-V1014 HydrophobicContact CB-CG2 4.24Å; Q915-V1014 HydrophobicContact CB-CG2 4.4Å; Q915-V1014 HydrophobicContact CG-CG1 4.1Å; Q915-V1014 HydrophobicContact CG-CG2 3.82Å; L918-V1014 HydrophobicContact CB-CG1 4.07Å; F1010-V1014 HydrophobicContact CD1-CG2 4.13Å; F1010-V1014 HydrophobicContact CE1-CG2 3.84Å; F1010-V1014 HydrophobicContact CZ-CG2 4.11Å; F1010-V1014 WeakPolarHBondContact O-CG2 3.41Å; F1010-V1014 PolarHBondContact O-N 3.17Å; I1011-V1014 PolarHBondContact O-N 3.18Å
1015	V	91.2	Very high	92.2	Very high	12 Å²	12	16.3 Å²	16.3	7%	0.073	9%	0.09	C	C	.	.	H	α-helix	trans	-96.9	-29.9	-177.7	175.8	0	0	0	0	112.2	T849 V922 I1011 S1018 L1019	T849-V1015 HydrophobicContact CG2-CG1 3.82Å; V922-V1015 HydrophobicContact CG2-CG2 4.37Å; I1011-V1015 HydrophobicContact CG2-CG2 3.89Å; I1011-V1015 WeakPolarHBondContact O-CB 3.37Å; I1011-V1015 WeakPolarHBondContact O-CG2 3.38Å; I1011-V1015 PolarHBondContact O-N 3.44Å; V1015-S1018 PolarHBondContact O-OG 2.82Å; V1015-L1019 HydrophobicContact CB-CB 4.32Å; V1015-L1019 HydrophobicContact CG1-CB 4.01Å; V1015-L1019 HydrophobicContact CG1-CD1 4.4Å
1016	G	89.6	Confident	92.4	Very high	26 Å²	26	16.5 Å²	16.5	27%	0.268	9%	0.091	S	C	.	.	G	3₁₀ helix	trans	73.9	-159	-177	0	0	0	0	0	114	Q1012 S1018 L1019	Q1012-G1016 VanDerWaalsContact NE2-C 3.29Å; Q1012-G1016 PolarHBondContact NE2-O 2.77Å; Q1012-G1016 VanDerWaalsContact O-CA 3.32Å; Q1012-G1016 WeakPolarHBondContact O-CA 3.48Å; Q1012-G1016 PolarHBondContact O-N 3.02Å; G1016-S1018 PolarHBondContact O-N 3.21Å; G1016-L1019 PolarHBondContact O-N 2.71Å
1017	I	88.1	Confident	92.6	Very high	135 Å²	135	16.8 Å²	16.8	69%	0.692	9%	0.092	S	C	*	.	G	3₁₀ helix	trans	-62.7	-11.8	-167	63.2	171.4	0	0	0	115.8	P846 L1019 R1020	P846-I1017 HydrophobicContact CG-CD1 4.45Å; P846-I1017 HydrophobicContact CG-CG1 4.45Å; I1017-L1019 VanDerWaalsContact C-N 3.34Å; I1017-R1020 PolarHBondContact O-NH1 3.48Å
1018	S	90.2	Very high	92.9	Very high	21 Å²	21	16.8 Å²	16.8	15%	0.147	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-79.3	-11.6	174.2	49.5	0	0	0	0	113.7	L847 P848 T849 V1015 G1016 R1020	L847-S1018 VanDerWaalsContact O-CB 3.23Å; L847-S1018 WeakPolarHBondContact O-CB 3.38Å; P848-S1018 CarbonylContact C-O 3.6Å; P848-S1018 WeakPolarHBondContact CA-O 3.33Å; T849-S1018 PolarHBondContact N-O 3.05Å; V1015-S1018 PolarHBondContact O-OG 2.82Å; G1016-S1018 PolarHBondContact O-N 3.21Å; S1018-R1020 PolarHBondContact O-N 3.44Å
1019	L	93.9	Very high	92.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	132.8	-178.4	-177.1	63.6	0	0	0	111.5	V851 I1011 Q1012 V1015 G1016 I1017	V851-L1019 HydrophobicContact CB-CD1 4.12Å; V851-L1019 HydrophobicContact CG2-CD1 3.54Å; I1011-L1019 HydrophobicContact CB-CD2 4.47Å; I1011-L1019 HydrophobicContact CG2-CD1 3.93Å; I1011-L1019 HydrophobicContact CG2-CD2 4.01Å; Q1012-L1019 HydrophobicContact CB-CD2 3.82Å; V1015-L1019 HydrophobicContact CB-CB 4.32Å; V1015-L1019 HydrophobicContact CG1-CB 4.01Å; V1015-L1019 HydrophobicContact CG1-CD1 4.4Å; G1016-L1019 PolarHBondContact O-N 2.71Å; I1017-L1019 VanDerWaalsContact C-N 3.34Å
1020	R	95.6	Very high	92.9	Very high	29 Å²	29	16.9 Å²	16.9	11%	0.109	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	92.1	169.8	-66.7	-61.8	-180	-102.3	20.9	109.4	P848 T849 V850 V851 I1017 S1018 D1112 F1136 L1137	P848-R1020 HydrophobicContact CB-CB 4.24Å; P848-R1020 HydrophobicContact CB-CG 3.65Å; T849-R1020 PolarHBondContact O-N 2.92Å; V850-R1020 WeakPolarHBondContact CA-O 3.48Å; V851-R1020 PolarHBondContact N-O 2.97Å; I1017-R1020 PolarHBondContact O-NH1 3.48Å; S1018-R1020 PolarHBondContact O-N 3.44Å; R1020-D1112 WeakPolarHBondContact CD-O 3.31Å; R1020-D1112 IonicContact CZ-OD2 3.7Å; R1020-D1112 PolarHBondContact NE-O 3.04Å; R1020-D1112 PolarHBondContact NH1-O 3.44Å; R1020-D1112 IonicContact NH1-OD2 3.95Å; R1020-D1112 PolarHBondContact NH1-OD2 3.27Å; R1020-D1112 PolarHBondContact NH2-O 3.07Å; R1020-D1112 IonicContact NH2-OD2 3.37Å; R1020-D1112 PolarHBondContact NH2-OD2 3.48Å; R1020-F1136 HydrophobicContact CB-CE1 3.75Å; R1020-F1136 HydrophobicContact CB-CZ 3.96Å; R1020-F1136 HydrophobicContact CG-CE1 4.36Å; R1020-F1136 HydrophobicContact CG-CZ 4.38Å; R1020-F1136 PolarHBondContact NE-O 3.31Å; R1020-L1137 HydrophobicContact CB-CD2 3.54Å; R1020-L1137 HydrophobicContact CG-CD2 3.95Å
1021	A	95.6	Very high	92.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	125.8	177.2	0	0	0	0	0	110.7	V851 L1008 S1113 Y1114 L1115	V851-A1021 CarbonylContact O-C 3.54Å; V851-A1021 VanDerWaalsContact O-CA 3.32Å; V851-A1021 WeakPolarHBondContact O-CA 3.31Å; L1008-A1021 HydrophobicContact CD1-CB 4.15Å; L1008-A1021 HydrophobicContact CD2-CB 3.82Å; A1021-S1113 PolarHBondContact N-O 2.93Å; A1021-Y1114 HydrophobicContact CB-CD2 4.08Å; A1021-Y1114 WeakPolarHBondContact O-CA 3.36Å; A1021-L1115 PolarHBondContact O-N 3.16Å
1022	V	96.1	Very high	92.9	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.012	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	108.4	172.8	-178.9	0	0	0	0	108.2	V850 V851 I852 T853 L863 L1115 V1117 F1136	V850-V1022 HydrophobicContact CG1-CG2 4.23Å; V851-V1022 PolarHBondContact O-N 3.32Å; I852-V1022 WeakPolarHBondContact CA-O 3.38Å; I852-V1022 HydrophobicContact CG1-CB 4.42Å; T853-V1022 PolarHBondContact N-O 3.02Å; L863-V1022 HydrophobicContact CD1-CG1 4.26Å; V1022-L1115 CarbonylContact C-O 3.55Å; V1022-L1115 WeakPolarHBondContact CA-O 3.16Å; V1022-V1117 HydrophobicContact CG1-CG2 3.89Å; V1022-F1136 HydrophobicContact CG2-CD1 4.42Å; V1022-F1136 HydrophobicContact CG2-CE1 3.96Å
1023	Y	93.9	Very high	92.9	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.008	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	113.3	173.4	179.1	-120.4	0	0	0	110	T853 T1005 V1025 H1098 T1099 A1102 Y1114 L1115 R1116 V1117	T853-Y1023 WeakPolarHBondContact O-CA 3.43Å; T1005-Y1023 HydrophobicContact CG2-CD2 3.72Å; T1005-Y1023 HydrophobicContact CG2-CE2 3.82Å; T1005-Y1023 HydrophobicContact CG2-CG 4.41Å; Y1023-V1025 HydrophobicContact CD1-CB 4.36Å; Y1023-V1025 HydrophobicContact CE1-CB 3.89Å; Y1023-V1025 HydrophobicContact CE1-CG2 4.18Å; Y1023-H1098 PolarHBondContact OH-ND1 3.32Å; Y1023-T1099 PolarHBondContact OH-OG1 3.43Å; Y1023-A1102 HydrophobicContact CE1-CB 4.11Å; Y1023-A1102 HydrophobicContact CE2-CB 4.22Å; Y1023-Y1114 WeakPolarHBondContact CB-OH 3.21Å; Y1023-Y1114 VanDerWaalsContact CD1-OH 3.25Å; Y1023-Y1114 WeakPolarHBondContact CD1-OH 3.47Å; Y1023-L1115 PolarHBondContact N-O 3.34Å; Y1023-R1116 HydrophobicContact CD1-CG 4.32Å; Y1023-V1117 PolarHBondContact O-N 2.78Å
1024	L	93.8	Very high	92.7	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	110.9	174.1	-171.5	71.9	0	0	0	109.9	T853 A854 L863 V1117 F1119 V1122	T853-L1024 PolarHBondContact O-N 3.14Å; A854-L1024 HydrophobicContact CB-CB 4.14Å; A854-L1024 WeakPolarHBondContact CB-O 3.38Å; L863-L1024 HydrophobicContact CD1-CD2 4.48Å; L1024-V1117 WeakPolarHBondContact CA-O 3.44Å; L1024-V1117 HydrophobicContact CD1-CB 3.98Å; L1024-V1117 HydrophobicContact CD1-CG1 3.81Å; L1024-F1119 HydrophobicContact CD1-CB 4.33Å; L1024-F1119 HydrophobicContact CD2-CB 4.42Å; L1024-F1119 HydrophobicContact CD2-CD2 4.27Å; L1024-F1119 HydrophobicContact CG-CB 4.38Å; L1024-V1122 HydrophobicContact CD1-CG2 4.1Å
1025	V	93.3	Very high	92.5	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.012	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	154.6	173.1	74.4	0	0	0	0	110.6	Y1023 W1095 T1099 R1116 V1117 R1118 F1119 L1197	Y1023-V1025 HydrophobicContact CD1-CB 4.36Å; Y1023-V1025 HydrophobicContact CE1-CB 3.89Å; Y1023-V1025 HydrophobicContact CE1-CG2 4.18Å; V1025-W1095 HydrophobicContact CG2-CZ2 4.18Å; V1025-T1099 HydrophobicContact CG2-CG2 4.08Å; V1025-R1116 HydrophobicContact CG1-CG 4.4Å; V1025-V1117 PolarHBondContact N-O 3.15Å; V1025-R1118 HydrophobicContact CG1-CG 4Å; V1025-R1118 CarbonylContact O-C 3.56Å; V1025-R1118 WeakPolarHBondContact O-CA 3.49Å; V1025-F1119 PolarHBondContact O-N 2.87Å; V1025-L1197 HydrophobicContact CG1-CD1 4.29Å; V1025-L1197 HydrophobicContact CG1-CD2 4.37Å; V1025-L1197 HydrophobicContact CG2-CD1 3.76Å
1026	R	91.9	Very high	92.6	Very high	5 Å²	5	14.2 Å²	14.2	2%	0.019	8%	0.079	C	C	.	.			trans	-134	148.9	-179.9	-172.4	175.6	-176.6	152.2	16.9	109.7	G857 A1030 W1031 W1095 F1119 E1120 E1163 Y1199	G857-R1026 PolarHBondContact O-NH1 3.3Å; G857-R1026 VanDerWaalsContact O-NH1 3.1Å; R1026-A1030 HydrophobicContact CG-CB 4.49Å; R1026-W1031 HydrophobicContact CG-CB 4.49Å; R1026-W1095 PolarHBondContact O-NE1 2.88Å; R1026-F1119 HydrophobicContact CB-CB 4.29Å; R1026-F1119 HydrophobicContact CG-CB 4.23Å; R1026-F1119 HydrophobicContact CG-CD1 4.25Å; R1026-E1120 VanDerWaalsContact CG-OE1 3.27Å; R1026-E1120 WeakPolarHBondContact CG-OE1 3.41Å; R1026-E1163 IonicContact CZ-OE1 3.75Å; R1026-E1163 IonicContact CZ-OE2 3.75Å; R1026-E1163 IonicContact NH1-OE1 3.43Å; R1026-E1163 IonicContact NH1-OE2 3.19Å; R1026-E1163 PolarHBondContact NH1-OE2 3.17Å; R1026-E1163 IonicContact NH2-OE1 3.39Å; R1026-E1163 PolarHBondContact NH2-OE1 2.94Å; R1026-E1163 IonicContact NH2-OE2 2.68Å; R1026-E1163 PolarHBondContact NH2-OE2 3.02Å; R1026-E1163 VanDerWaalsContact NH2-OE2 3.16Å; R1026-Y1199 VanDerWaalsContact C-OH 3.32Å; R1026-Y1199 WeakPolarHBondContact CA-OH 3.39Å
1027	D	94.1	Very high	92.5	Very high	5 Å²	5	16.7 Å²	16.7	3%	0.027	8%	0.08	C	C	.	.			trans	-55.4	127.9	176.5	-171.3	-50.7	0	0	0	110	R1029 A1030 W1031 E1120 Y1199	D1027-R1029 PolarHBondContact O-N 3.05Å; D1027-R1029 VanDerWaalsContact OD1-CB 3.24Å; D1027-R1029 WeakPolarHBondContact OD1-CB 3.37Å; D1027-R1029 WeakPolarHBondContact OD1-CG 3.22Å; D1027-R1029 IonicContact OD1-CZ 2.66Å; D1027-R1029 PolarHBondContact OD1-N 3.35Å; D1027-R1029 IonicContact OD1-NE 3.84Å; D1027-R1029 PolarHBondContact OD1-NE 3.02Å; D1027-R1029 IonicContact OD1-NH2 2.76Å; D1027-R1029 IonicContact OD2-CZ 2.71Å; D1027-R1029 IonicContact OD2-NE 2.65Å; D1027-R1029 PolarHBondContact OD2-NE 2.88Å; D1027-R1029 IonicContact OD2-NH2 3.53Å; D1027-R1029 PolarHBondContact OD2-NH2 3.03Å; D1027-A1030 HydrophobicContact CB-CB 4.09Å; D1027-A1030 PolarHBondContact O-N 2.77Å; D1027-A1030 VanDerWaalsContact O-N 3.11Å; D1027-W1031 PolarHBondContact O-N 3.03Å; D1027-E1120 WeakPolarHBondContact CB-OE1 3.37Å; D1027-E1120 PolarHBondContact N-OE1 3.19Å; D1027-Y1199 HydrophobicContact CB-CD1 4.09Å; D1027-Y1199 HydrophobicContact CB-CE1 3.82Å; D1027-Y1199 PolarHBondContact N-OH 3.41Å
1028	P	95.2	Very high	92.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-59.5	-31.1	-177.5	21.8	-31	0	0	0	112.3	I1032 W1095 I1186 C1190 M1194	P1028-I1032 VanDerWaalsContact O-CB 3.28Å; P1028-I1032 WeakPolarHBondContact O-CB 3.13Å; P1028-I1032 WeakPolarHBondContact O-CD1 3.33Å; P1028-I1032 WeakPolarHBondContact O-CG1 3.45Å; P1028-I1032 PolarHBondContact O-N 3.16Å; P1028-W1095 HydrophobicContact CB-CD2 3.65Å; P1028-W1095 HydrophobicContact CB-CE3 3.93Å; P1028-W1095 HydrophobicContact CB-CG 3.97Å; P1028-W1095 HydrophobicContact CB-CH2 4.5Å; P1028-W1095 HydrophobicContact CB-CZ2 4.23Å; P1028-W1095 HydrophobicContact CB-CZ3 4.35Å; P1028-W1095 HydrophobicContact CG-CD2 4.26Å; P1028-W1095 HydrophobicContact CG-CE3 4.23Å; P1028-W1095 HydrophobicContact CG-CH2 4.06Å; P1028-W1095 HydrophobicContact CG-CZ2 4.04Å; P1028-W1095 HydrophobicContact CG-CZ3 4.15Å; P1028-I1186 HydrophobicContact CB-CG2 3.86Å; P1028-I1186 HydrophobicContact CG-CG2 4.12Å; P1028-C1190 HydrophobicContact CB-CB 4.29Å; P1028-C1190 HydrophobicContact CG-CB 3.91Å; P1028-M1194 HydrophobicContact CG-CE 4.2Å; P1028-M1194 HydrophobicContact CG-CG 3.68Å; P1028-M1194 HydrophobicContact CG-SD 3.65Å
1029	R	94.3	Very high	91.8	Very high	9 Å²	9	13.4 Å²	13.4	3%	0.034	7%	0.065	C	C	.	.	H	α-helix	trans	-69.8	-40.9	179.5	-56.6	165.4	-68.1	-165.6	-1.2	110.6	D1027 Y1033 W1174 I1186 E1187 M1194 A1200	D1027-R1029 PolarHBondContact O-N 3.05Å; D1027-R1029 VanDerWaalsContact OD1-CB 3.24Å; D1027-R1029 WeakPolarHBondContact OD1-CB 3.37Å; D1027-R1029 WeakPolarHBondContact OD1-CG 3.22Å; D1027-R1029 IonicContact OD1-CZ 2.66Å; D1027-R1029 PolarHBondContact OD1-N 3.35Å; D1027-R1029 IonicContact OD1-NE 3.84Å; D1027-R1029 PolarHBondContact OD1-NE 3.02Å; D1027-R1029 IonicContact OD1-NH2 2.76Å; D1027-R1029 IonicContact OD2-CZ 2.71Å; D1027-R1029 IonicContact OD2-NE 2.65Å; D1027-R1029 PolarHBondContact OD2-NE 2.88Å; D1027-R1029 IonicContact OD2-NH2 3.53Å; D1027-R1029 PolarHBondContact OD2-NH2 3.03Å; R1029-Y1033 WeakPolarHBondContact O-CB 3.1Å; R1029-Y1033 PolarHBondContact O-N 3.15Å; R1029-W1174 HydrophobicContact CB-CD2 3.71Å; R1029-W1174 HydrophobicContact CB-CE3 3.7Å; R1029-W1174 HydrophobicContact CB-CG 4.32Å; R1029-W1174 HydrophobicContact CB-CH2 4.18Å; R1029-W1174 HydrophobicContact CB-CZ2 4.15Å; R1029-W1174 HydrophobicContact CB-CZ3 3.95Å; R1029-W1174 VanDerWaalsContact CD-CH2 3.45Å; R1029-W1174 HydrophobicContact CG-CE3 4.48Å; R1029-W1174 HydrophobicContact CG-CH2 4.41Å; R1029-W1174 HydrophobicContact CG-CZ3 4.28Å; R1029-W1174 VanDerWaalsContact CZ-CH2 3.44Å; R1029-W1174 VanDerWaalsContact NE-CH2 3.29Å; R1029-I1186 HydrophobicContact CG-CB 4.36Å; R1029-I1186 HydrophobicContact CG-CG2 3.76Å; R1029-E1187 WeakPolarHBondContact CD-OE1 3.45Å; R1029-E1187 IonicContact CZ-OE1 3.29Å; R1029-E1187 IonicContact NE-OE1 3.56Å; R1029-E1187 IonicContact NH1-OE1 3.61Å; R1029-E1187 PolarHBondContact NH1-OE1 2.93Å; R1029-M1194 HydrophobicContact CG-CE 4.46Å; R1029-A1200 PolarHBondContact NH1-O 2.91Å; R1029-A1200 PolarHBondContact NH2-O 2.94Å
1030	A	92.3	Very high	91.2	Very high	2 Å²	2	23.3 Å²	23.3	2%	0.017	11%	0.108	C	C	.	.	H	α-helix	trans	-69	-42.8	174.6	0	0	0	0	0	112.1	R1026 D1027 Y1033 L1034	R1026-A1030 HydrophobicContact CG-CB 4.49Å; D1027-A1030 HydrophobicContact CB-CB 4.09Å; D1027-A1030 PolarHBondContact O-N 2.77Å; D1027-A1030 VanDerWaalsContact O-N 3.11Å; A1030-Y1033 PolarHBondContact O-N 3.18Å; A1030-L1034 PolarHBondContact O-N 3.17Å
1031	W	91.9	Very high	90.5	Very high	1 Å²	1	26 Å²	26	0%	0.004	13%	0.129	C	C	.	.	H	α-helix	trans	-66.4	-43.6	179.4	-174.6	77.1	0	0	0	112.3	L855 P856 R1026 D1027 L1034 M1035 L1091 L1094 W1095	L855-W1031 HydrophobicContact CB-CZ2 4.36Å; L855-W1031 HydrophobicContact CD1-CZ2 4.3Å; P856-W1031 PolarHBondContact O-NE1 3.41Å; R1026-W1031 HydrophobicContact CG-CB 4.49Å; D1027-W1031 PolarHBondContact O-N 3.03Å; W1031-L1034 PolarHBondContact O-N 3.42Å; W1031-M1035 HydrophobicContact CD2-CG 4.44Å; W1031-M1035 HydrophobicContact CZ2-CE 3.8Å; W1031-M1035 HydrophobicContact CZ2-CG 4.38Å; W1031-M1035 WeakPolarHBondContact O-CG 3.32Å; W1031-M1035 PolarHBondContact O-N 3.12Å; W1031-L1091 HydrophobicContact CH2-CD2 3.81Å; W1031-L1091 HydrophobicContact CZ3-CB 4.1Å; W1031-L1091 HydrophobicContact CZ3-CD2 3.85Å; W1031-L1094 HydrophobicContact CH2-CD2 4.03Å; W1031-L1094 HydrophobicContact CH2-CG 4.4Å; W1031-W1095 HydrophobicContact CE3-CB 4.08Å; W1031-W1095 AromaticContact CE3-CD1 3.95Å; W1031-W1095 HydrophobicContact CE3-CG 4.4Å; W1031-W1095 HydrophobicContact CZ3-CB 3.96Å
1032	I	93.6	Very high	89.9	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-69.4	-35.8	176	-64.4	169.9	0	0	0	111	P1028 M1035 V1036 I1088 L1091 A1092 M1178 I1186	P1028-I1032 VanDerWaalsContact O-CB 3.28Å; P1028-I1032 WeakPolarHBondContact O-CB 3.13Å; P1028-I1032 WeakPolarHBondContact O-CD1 3.33Å; P1028-I1032 WeakPolarHBondContact O-CG1 3.45Å; P1028-I1032 PolarHBondContact O-N 3.16Å; I1032-M1035 PolarHBondContact O-N 2.84Å; I1032-V1036 HydrophobicContact CG2-CG2 4.13Å; I1032-V1036 WeakPolarHBondContact O-CB 3.3Å; I1032-V1036 PolarHBondContact O-N 2.97Å; I1032-I1088 HydrophobicContact CG2-CG1 4.46Å; I1032-I1088 HydrophobicContact CG2-CG2 4.27Å; I1032-L1091 HydrophobicContact CD1-CB 4.15Å; I1032-L1091 HydrophobicContact CG1-CB 3.85Å; I1032-L1091 HydrophobicContact CG2-CD1 4.23Å; I1032-A1092 HydrophobicContact CD1-CB 3.99Å; I1032-M1178 HydrophobicContact CB-CE 4.27Å; I1032-M1178 HydrophobicContact CG2-CE 4Å; I1032-I1186 HydrophobicContact CB-CD1 4.05Å; I1032-I1186 HydrophobicContact CD1-CD1 3.78Å; I1032-I1186 HydrophobicContact CD1-CG1 3.71Å; I1032-I1186 HydrophobicContact CD1-CG2 4.12Å; I1032-I1186 HydrophobicContact CG1-CD1 4.5Å; I1032-I1186 HydrophobicContact CG2-CD1 3.96Å
1033	Y	92.2	Very high	89.3	Confident	22 Å²	22	27.7 Å²	27.7	9%	0.086	14%	0.14	C	C	.	.	H	α-helix	trans	-58.7	-47	171	171.9	-92.9	0	0	0	111.6	R1029 A1030 M1035 Y1037 N1038 I1173 W1174 K1177 M1178	R1029-Y1033 WeakPolarHBondContact O-CB 3.1Å; R1029-Y1033 PolarHBondContact O-N 3.15Å; A1030-Y1033 PolarHBondContact O-N 3.18Å; Y1033-M1035 PolarHBondContact O-N 3.44Å; Y1033-Y1037 HydrophobicContact CD2-CD2 4.5Å; Y1033-Y1037 HydrophobicContact CD2-CG 4.3Å; Y1033-Y1037 WeakPolarHBondContact O-CA 3.21Å; Y1033-Y1037 WeakPolarHBondContact O-CB 3.5Å; Y1033-Y1037 PolarHBondContact O-N 3.4Å; Y1033-N1038 HydrophobicContact CD1-CB 4.47Å; Y1033-N1038 HydrophobicContact CE1-CB 3.88Å; Y1033-N1038 VanDerWaalsContact CE1-OD1 3.29Å; Y1033-N1038 WeakPolarHBondContact CE1-OD1 3.35Å; Y1033-N1038 PolarHBondContact O-N 2.86Å; Y1033-N1038 VanDerWaalsContact O-N 3.08Å; Y1033-N1038 PolarHBondContact OH-OD1 3.25Å; Y1033-N1038 VanDerWaalsContact OH-OD1 3.06Å; Y1033-I1173 HydrophobicContact CE1-CG2 3.97Å; Y1033-I1173 HydrophobicContact CE2-CG2 4.36Å; Y1033-W1174 HydrophobicContact CD1-CB 4.31Å; Y1033-W1174 HydrophobicContact CD2-CB 4.08Å; Y1033-W1174 HydrophobicContact CG-CB 3.7Å; Y1033-K1177 HydrophobicContact CE2-CB 3.69Å; Y1033-M1178 HydrophobicContact CD2-CB 4.49Å
1034	L	89.1	Confident	89	Confident	4 Å²	4	28.5 Å²	28.5	2%	0.021	14%	0.143	C	C	.	.	H	α-helix	trans	-58.8	-46.8	175.2	-174.4	121.5	0	0	0	111.4	A1030 W1031 L1043 E1163	A1030-L1034 PolarHBondContact O-N 3.17Å; W1031-L1034 PolarHBondContact O-N 3.42Å; L1034-L1043 HydrophobicContact CD2-CD1 3.63Å; L1034-L1043 HydrophobicContact CG-CD1 3.95Å; L1034-L1043 WeakPolarHBondContact O-CD1 3.14Å; L1034-E1163 HydrophobicContact CD1-CB 3.71Å; L1034-E1163 HydrophobicContact CD1-CG 3.8Å
1035	M	87.9	Confident	88.6	Confident	10 Å²	10	32.1 Å²	32.1	5%	0.049	17%	0.169	C	C	.	.	H	α-helix	trans	-67.9	-37.1	-176.9	-71.6	-63.9	177.5	0	0	114.5	P856 W1031 I1032 Y1033 L1043 Y1044 L1091	P856-M1035 WeakPolarHBondContact O-CE 3.29Å; W1031-M1035 HydrophobicContact CD2-CG 4.44Å; W1031-M1035 HydrophobicContact CZ2-CE 3.8Å; W1031-M1035 HydrophobicContact CZ2-CG 4.38Å; W1031-M1035 WeakPolarHBondContact O-CG 3.32Å; W1031-M1035 PolarHBondContact O-N 3.12Å; I1032-M1035 PolarHBondContact O-N 2.84Å; Y1033-M1035 PolarHBondContact O-N 3.44Å; M1035-L1043 PolarHBondContact O-N 3.39Å; M1035-L1043 VanDerWaalsContact O-N 3.17Å; M1035-L1043 HydrophobicContact SD-CB 4.09Å; M1035-Y1044 PolarHBondContact O-N 3.47Å; M1035-L1091 HydrophobicContact CB-CD1 3.72Å; M1035-L1091 HydrophobicContact CG-CD1 4.48Å
1036	V	91.4	Very high	88	Confident	24 Å²	24	37.2 Å²	37.2	15%	0.145	20%	0.195	C	C	.	.	H	α-helix	trans	-106.5	-38.5	-170.4	-178.5	0	0	0	0	113.2	I1032 S1042 P1087 L1091	I1032-V1036 HydrophobicContact CG2-CG2 4.13Å; I1032-V1036 WeakPolarHBondContact O-CB 3.3Å; I1032-V1036 PolarHBondContact O-N 2.97Å; V1036-S1042 VanDerWaalsContact O-CB 3.25Å; V1036-S1042 WeakPolarHBondContact O-CB 3.36Å; V1036-P1087 HydrophobicContact CG2-CB 4.39Å; V1036-L1091 HydrophobicContact CG2-CD1 3.48Å; V1036-L1091 VanDerWaalsContact CG2-CD1 3.48Å
1037	Y	88.3	Confident	87.3	Confident	78 Å²	78	41.2 Å²	41.2	31%	0.306	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-23.6	-163.3	-72.7	-77.9	0	0	0	115.2	Y1033 S1039 I1088 M1178 P1179 D1182	Y1033-Y1037 HydrophobicContact CD2-CD2 4.5Å; Y1033-Y1037 HydrophobicContact CD2-CG 4.3Å; Y1033-Y1037 WeakPolarHBondContact O-CA 3.21Å; Y1033-Y1037 WeakPolarHBondContact O-CB 3.5Å; Y1033-Y1037 PolarHBondContact O-N 3.4Å; Y1037-S1039 PolarHBondContact O-N 3.35Å; Y1037-I1088 HydrophobicContact CE2-CD1 4Å; Y1037-I1088 WeakPolarHBondContact OH-CD1 3.36Å; Y1037-M1178 HydrophobicContact CD2-CE 3.89Å; Y1037-M1178 HydrophobicContact CE2-CE 4Å; Y1037-M1178 HydrophobicContact CE2-CG 4.23Å; Y1037-P1179 HydrophobicContact CE1-CG 4.39Å; Y1037-D1182 PolarHBondContact OH-OD2 3.17Å
1038	N	83.2	Confident	86.8	Confident	52 Å²	52	44.2 Å²	44.2	28%	0.278	23%	0.229	S	C	.	.	S	Bend	trans	-76.2	-17.4	-171.5	-155.8	51.5	0	0	0	114.7	Y1033 Y1162 E1163	Y1033-N1038 HydrophobicContact CD1-CB 4.47Å; Y1033-N1038 HydrophobicContact CE1-CB 3.88Å; Y1033-N1038 VanDerWaalsContact CE1-OD1 3.29Å; Y1033-N1038 WeakPolarHBondContact CE1-OD1 3.35Å; Y1033-N1038 PolarHBondContact O-N 2.86Å; Y1033-N1038 VanDerWaalsContact O-N 3.08Å; Y1033-N1038 PolarHBondContact OH-OD1 3.25Å; Y1033-N1038 VanDerWaalsContact OH-OD1 3.06Å; N1038-Y1162 PolarHBondContact ND2-O 3.39Å; N1038-E1163 PolarHBondContact ND2-O 3.29Å
1039	S	80.6	Confident	86.2	Confident	35 Å²	35	44.3 Å²	44.3	25%	0.245	23%	0.229	C	C	.	.	S	Bend	trans	-135.7	157.4	-179.6	73.2	0	0	0	0	113	Y1037 P1041 S1042 L1043	Y1037-S1039 PolarHBondContact O-N 3.35Å; S1039-P1041 CarbonylContact C-O 3.58Å; S1039-P1041 VanDerWaalsContact C-O 3.27Å; S1039-P1041 WeakPolarHBondContact CB-O 3.21Å; S1039-P1041 CarbonylContact O-C 3.32Å; S1039-P1041 PolarHBondContact OG-O 2.87Å; S1039-S1042 WeakPolarHBondContact O-CA 3.08Å; S1039-S1042 PolarHBondContact O-N 3.4Å; S1039-S1042 WeakPolarHBondContact OG-CA 3.33Å; S1039-L1043 PolarHBondContact OG-N 3.27Å
1040	K	80.3	Confident	85.5	Confident	208 Å²	208	46.9 Å²	46.9	90%	0.904	25%	0.247	S	C	*	.	S	Bend	trans	-130.2	116.7	170.6	-70.6	-173.9	179.7	179.2	0	110.1
1041	P	81.2	Confident	84.9	Confident	85 Å²	85	51.8 Å²	51.8	55%	0.552	27%	0.27	S	S	*	.	S	Bend	cis	-58.6	157.4	-8.8	27	-35.6	0	0	0	112.7	S1039 L1046	S1039-P1041 CarbonylContact C-O 3.58Å; S1039-P1041 VanDerWaalsContact C-O 3.27Å; S1039-P1041 WeakPolarHBondContact CB-O 3.21Å; S1039-P1041 CarbonylContact O-C 3.32Å; S1039-P1041 PolarHBondContact OG-O 2.87Å; P1041-L1046 HydrophobicContact CB-CG 4.34Å; P1041-L1046 HydrophobicContact CG-CD1 4.16Å; P1041-L1046 HydrophobicContact CG-CD2 3.76Å; P1041-L1046 HydrophobicContact CG-CG 3.84Å; P1041-L1046 WeakPolarHBondContact O-CD1 3.32Å
1042	S	84.4	Confident	84.2	Confident	21 Å²	21	54.1 Å²	54.1	15%	0.147	28%	0.281	C	S	.	.			trans	-68.3	155.4	-178.2	63.3	0	0	0	0	111.7	V1036 S1039 Y1044 S1045 L1046	V1036-S1042 VanDerWaalsContact O-CB 3.25Å; V1036-S1042 WeakPolarHBondContact O-CB 3.36Å; S1039-S1042 WeakPolarHBondContact O-CA 3.08Å; S1039-S1042 PolarHBondContact O-N 3.4Å; S1039-S1042 WeakPolarHBondContact OG-CA 3.33Å; S1042-Y1044 PolarHBondContact O-N 3.42Å; S1042-S1045 PolarHBondContact O-N 2.89Å; S1042-S1045 VanDerWaalsContact O-N 3.09Å; S1042-S1045 PolarHBondContact OG-N 3.03Å; S1042-S1045 PolarHBondContact OG-OG 3.08Å; S1042-L1046 WeakPolarHBondContact O-CG 3.48Å; S1042-L1046 PolarHBondContact O-N 3.44Å
1043	L	83.8	Confident	83.5	Confident	16 Å²	16	54.2 Å²	54.2	8%	0.084	28%	0.281	C	S	.	.	H	α-helix	trans	-60.9	-33.7	174.2	-58.7	177.8	0	0	0	111.3	L1034 M1035 S1039 S1045 L1046 K1047 Y1162	L1034-L1043 HydrophobicContact CD2-CD1 3.63Å; L1034-L1043 HydrophobicContact CG-CD1 3.95Å; L1034-L1043 WeakPolarHBondContact O-CD1 3.14Å; M1035-L1043 PolarHBondContact O-N 3.39Å; M1035-L1043 VanDerWaalsContact O-N 3.17Å; M1035-L1043 HydrophobicContact SD-CB 4.09Å; S1039-L1043 PolarHBondContact OG-N 3.27Å; L1043-S1045 VanDerWaalsContact C-N 3.28Å; L1043-S1045 PolarHBondContact O-N 3.15Å; L1043-L1046 HydrophobicContact CD2-CD1 4.3Å; L1043-L1046 PolarHBondContact O-N 3.03Å; L1043-K1047 VanDerWaalsContact O-CB 3.27Å; L1043-K1047 WeakPolarHBondContact O-CB 3.4Å; L1043-K1047 WeakPolarHBondContact O-CG 3.42Å; L1043-K1047 PolarHBondContact O-N 3.48Å; L1043-Y1162 HydrophobicContact CD1-CD1 4.31Å; L1043-Y1162 HydrophobicContact CD1-CG 4.36Å; L1043-Y1162 HydrophobicContact CD2-CD1 3.82Å; L1043-Y1162 HydrophobicContact CD2-CE1 4.5Å
1044	Y	85.9	Confident	82.7	Confident	19 Å²	19	56.1 Å²	56.1	8%	0.075	30%	0.297	C	S	.	.	H	α-helix	trans	-56	-40.4	173	-174.3	-91.6	0	0	0	112.8	M1035 S1042 N1048 I1049 P1050 P1087 L1091	M1035-Y1044 PolarHBondContact O-N 3.47Å; S1042-Y1044 PolarHBondContact O-N 3.42Å; Y1044-N1048 PolarHBondContact O-N 2.9Å; Y1044-I1049 HydrophobicContact CD2-CB 3.65Å; Y1044-I1049 HydrophobicContact CD2-CG1 3.58Å; Y1044-I1049 HydrophobicContact CD2-CG2 4Å; Y1044-I1049 HydrophobicContact CE2-CB 3.61Å; Y1044-I1049 HydrophobicContact CE2-CG1 4.09Å; Y1044-I1049 HydrophobicContact CE2-CG2 3.65Å; Y1044-I1049 HydrophobicContact CG-CB 4.22Å; Y1044-I1049 HydrophobicContact CG-CG1 4.01Å; Y1044-I1049 WeakPolarHBondContact O-CG1 3.48Å; Y1044-I1049 PolarHBondContact O-N 3.14Å; Y1044-P1050 HydrophobicContact CE1-CG 3.66Å; Y1044-P1087 HydrophobicContact CD1-CB 3.87Å; Y1044-P1087 HydrophobicContact CD2-CB 4.09Å; Y1044-P1087 HydrophobicContact CE1-CB 3.64Å; Y1044-P1087 HydrophobicContact CE2-CB 3.87Å; Y1044-P1087 HydrophobicContact CG-CB 4.08Å; Y1044-L1091 HydrophobicContact CD2-CD1 3.78Å; Y1044-L1091 HydrophobicContact CD2-CD2 4Å; Y1044-L1091 HydrophobicContact CD2-CG 3.91Å; Y1044-L1091 HydrophobicContact CE2-CD1 4.28Å; Y1044-L1091 HydrophobicContact CE2-CD2 4.17Å; Y1044-L1091 HydrophobicContact CE2-CG 3.97Å
1045	S	85.3	Confident	82	Confident	77 Å²	77	59.4 Å²	59.4	54%	0.538	32%	0.315	S	S	.	.	H	α-helix	trans	-79.7	-42.2	174.8	-61.8	0	0	0	0	112.6	S1042 L1043 K1047 N1048	S1042-S1045 PolarHBondContact O-N 2.89Å; S1042-S1045 VanDerWaalsContact O-N 3.09Å; S1042-S1045 PolarHBondContact OG-N 3.03Å; S1042-S1045 PolarHBondContact OG-OG 3.08Å; L1043-S1045 VanDerWaalsContact C-N 3.28Å; L1043-S1045 PolarHBondContact O-N 3.15Å; S1045-K1047 PolarHBondContact O-N 3.45Å; S1045-N1048 PolarHBondContact O-N 2.8Å; S1045-N1048 VanDerWaalsContact O-N 3.11Å
1046	L	81.4	Confident	81.3	Confident	108 Å²	108	60 Å²	60	57%	0.565	32%	0.318	S	S	*	.	H	α-helix	trans	-65.2	-36.8	-178.9	-76.9	166.9	0	0	0	113.3	P1041 S1042 L1043 N1048	P1041-L1046 HydrophobicContact CB-CG 4.34Å; P1041-L1046 HydrophobicContact CG-CD1 4.16Å; P1041-L1046 HydrophobicContact CG-CD2 3.76Å; P1041-L1046 HydrophobicContact CG-CG 3.84Å; P1041-L1046 WeakPolarHBondContact O-CD1 3.32Å; S1042-L1046 WeakPolarHBondContact O-CG 3.48Å; S1042-L1046 PolarHBondContact O-N 3.44Å; L1043-L1046 HydrophobicContact CD2-CD1 4.3Å; L1043-L1046 PolarHBondContact O-N 3.03Å; L1046-N1048 VanDerWaalsContact C-N 3.32Å
1047	K	77.6	Confident	80.3	Confident	89 Å²	89	60.2 Å²	60.2	39%	0.387	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	2.1	174.3	-62.7	-69.4	-174.8	175.1	0	112.8	L895 L1043 S1045 I1049 H1052 Y1162	L895-K1047 HydrophobicContact CD1-CB 3.91Å; L1043-K1047 VanDerWaalsContact O-CB 3.27Å; L1043-K1047 WeakPolarHBondContact O-CB 3.4Å; L1043-K1047 WeakPolarHBondContact O-CG 3.42Å; L1043-K1047 PolarHBondContact O-N 3.48Å; S1045-K1047 PolarHBondContact O-N 3.45Å; K1047-I1049 VanDerWaalsContact C-N 3.28Å; K1047-I1049 HydrophobicContact CB-CD1 3.73Å; K1047-I1049 HydrophobicContact CB-CG1 4.47Å; K1047-I1049 PolarHBondContact O-N 3.27Å; K1047-H1052 PolarHBondContact O-CD2 3.15Å; K1047-H1052 VanDerWaalsContact O-CD2 3.25Å; K1047-Y1162 PolarHBondContact NZ-OH 2.76Å
1048	N	82.6	Confident	79.4	Confident	69 Å²	69	61.7 Å²	61.7	37%	0.369	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	44.1	174.7	-164.3	12.2	0	0	0	113.7	Y1044 S1045 L1046 P1050 Q1051 H1052	Y1044-N1048 PolarHBondContact O-N 2.9Å; S1045-N1048 PolarHBondContact O-N 2.8Å; S1045-N1048 VanDerWaalsContact O-N 3.11Å; L1046-N1048 VanDerWaalsContact C-N 3.32Å; N1048-P1050 VanDerWaalsContact C-N 3.31Å; N1048-Q1051 WeakPolarHBondContact ND2-CB 3.31Å; N1048-Q1051 PolarHBondContact ND2-OE1 3.48Å; N1048-Q1051 PolarHBondContact O-N 3.11Å; N1048-Q1051 WeakPolarHBondContact OD1-CB 3.34Å; N1048-H1052 PolarHBondContact O-N 2.97Å
1049	I	82.2	Confident	77.9	Confident	2 Å²	2	65.9 Å²	65.9	1%	0.01	34%	0.343	C	S	.	.	H	α-helix	trans	-50.6	-41	-174.6	-51.6	-58.3	0	0	0	113.5	L895 Y1044 K1047 Q1051 H1052 L1053	L895-I1049 HydrophobicContact CD1-CD1 3.23Å; L895-I1049 HydrophobicContact CD2-CD1 3.58Å; L895-I1049 HydrophobicContact CG-CD1 4.03Å; Y1044-I1049 HydrophobicContact CD2-CB 3.65Å; Y1044-I1049 HydrophobicContact CD2-CG1 3.58Å; Y1044-I1049 HydrophobicContact CD2-CG2 4Å; Y1044-I1049 HydrophobicContact CE2-CB 3.61Å; Y1044-I1049 HydrophobicContact CE2-CG1 4.09Å; Y1044-I1049 HydrophobicContact CE2-CG2 3.65Å; Y1044-I1049 HydrophobicContact CG-CB 4.22Å; Y1044-I1049 HydrophobicContact CG-CG1 4.01Å; Y1044-I1049 WeakPolarHBondContact O-CG1 3.48Å; Y1044-I1049 PolarHBondContact O-N 3.14Å; K1047-I1049 VanDerWaalsContact C-N 3.28Å; K1047-I1049 HydrophobicContact CB-CD1 3.73Å; K1047-I1049 HydrophobicContact CB-CG1 4.47Å; K1047-I1049 PolarHBondContact O-N 3.27Å; I1049-Q1051 VanDerWaalsContact C-N 3.27Å; I1049-Q1051 PolarHBondContact O-N 3.07Å; I1049-H1052 PolarHBondContact O-N 3.34Å; I1049-L1053 HydrophobicContact CG2-CD1 3.77Å; I1049-L1053 HydrophobicContact CG2-CG 4.11Å; I1049-L1053 WeakPolarHBondContact O-CG 3.26Å; I1049-L1053 PolarHBondContact O-N 3.32Å
1050	P	80.1	Confident	76.5	Confident	63 Å²	63	70.9 Å²	70.9	41%	0.409	37%	0.367	S	S	.	.	H	α-helix	trans	-58.9	-36.7	177.2	-24.5	34.9	0	0	0	113.3	Y1044 N1048 S1054	Y1044-P1050 HydrophobicContact CE1-CG 3.66Å; N1048-P1050 VanDerWaalsContact C-N 3.31Å; P1050-S1054 VanDerWaalsContact O-CB 3.28Å; P1050-S1054 WeakPolarHBondContact O-CB 3.04Å; P1050-S1054 PolarHBondContact O-N 2.85Å; P1050-S1054 PolarHBondContact O-OG 3.36Å
1051	Q	80.1	Confident	75	Confident	104 Å²	104	64 Å²	64	49%	0.486	35%	0.345	S	S	.	.	H	α-helix	trans	-70.2	-45.7	179.2	-175.6	172.8	-31.1	0	0	111.2	N1048 I1049 L1053 S1054 L1055	N1048-Q1051 WeakPolarHBondContact ND2-CB 3.31Å; N1048-Q1051 PolarHBondContact ND2-OE1 3.48Å; N1048-Q1051 PolarHBondContact O-N 3.11Å; N1048-Q1051 WeakPolarHBondContact OD1-CB 3.34Å; I1049-Q1051 VanDerWaalsContact C-N 3.27Å; I1049-Q1051 PolarHBondContact O-N 3.07Å; Q1051-L1053 PolarHBondContact O-N 2.87Å; Q1051-S1054 WeakPolarHBondContact CA-OG 3.49Å; Q1051-S1054 PolarHBondContact O-N 3.07Å; Q1051-S1054 VanDerWaalsContact O-N 3.12Å; Q1051-S1054 PolarHBondContact O-OG 3.42Å; Q1051-L1055 HydrophobicContact CG-CD1 4.21Å; Q1051-L1055 WeakPolarHBondContact O-CG 3.44Å; Q1051-L1055 PolarHBondContact O-N 2.98Å; Q1051-L1055 VanDerWaalsContact O-N 3.12Å
1052	H	78.1	Confident	73.6	Confident	51 Å²	51	62.2 Å²	62.2	24%	0.236	33%	0.332	C	S	.	.	H	α-helix	trans	-55.8	-52.7	175.5	-76.5	-82.5	0	0	0	111.3	D893 K1047 N1048 I1049 S1054 L1055 I1056	D893-H1052 IonicContact OD1-ND1 3.82Å; D893-H1052 IonicContact OD2-CE1 2.76Å; D893-H1052 IonicContact OD2-CG 2.83Å; D893-H1052 IonicContact OD2-ND1 3.32Å; D893-H1052 PolarHBondContact OD2-ND1 3.1Å; K1047-H1052 PolarHBondContact O-CD2 3.15Å; K1047-H1052 VanDerWaalsContact O-CD2 3.25Å; N1048-H1052 PolarHBondContact O-N 2.97Å; I1049-H1052 PolarHBondContact O-N 3.34Å; H1052-S1054 VanDerWaalsContact C-N 3.26Å; H1052-S1054 PolarHBondContact O-N 2.9Å; H1052-L1055 PolarHBondContact O-N 3.42Å; H1052-I1056 WeakPolarHBondContact O-CD1 3.29Å; H1052-I1056 WeakPolarHBondContact O-CG1 3.41Å; H1052-I1056 PolarHBondContact O-N 3.48Å
1053	L	77.9	Confident	71.9	Confident	2 Å²	2	70.5 Å²	70.5	1%	0.01	36%	0.36	C	S	.	.	H	α-helix	trans	-58.3	-35.4	175.4	-68.4	176.8	0	0	0	113.1	V896 I1049 Q1051 L1055 I1056 F1057 I1076 L1080 I1090	V896-L1053 HydrophobicContact CG2-CD2 4.29Å; I1049-L1053 HydrophobicContact CG2-CD1 3.77Å; I1049-L1053 HydrophobicContact CG2-CG 4.11Å; I1049-L1053 WeakPolarHBondContact O-CG 3.26Å; I1049-L1053 PolarHBondContact O-N 3.32Å; Q1051-L1053 PolarHBondContact O-N 2.87Å; L1053-L1055 VanDerWaalsContact C-N 3.31Å; L1053-L1055 PolarHBondContact O-N 3.25Å; L1053-I1056 HydrophobicContact CD2-CD1 4.42Å; L1053-F1057 VanDerWaalsContact O-CD2 3.28Å; L1053-F1057 WeakPolarHBondContact O-CD2 3.39Å; L1053-I1076 HydrophobicContact CD1-CD1 4.35Å; L1053-I1076 HydrophobicContact CD2-CD1 4.3Å; L1053-L1080 HydrophobicContact CB-CD1 3.83Å; L1053-L1080 HydrophobicContact CB-CD2 4.43Å; L1053-L1080 HydrophobicContact CD1-CD1 4.38Å; L1053-L1080 HydrophobicContact CD1-CD2 4.45Å; L1053-L1080 HydrophobicContact CG-CD1 4.49Å; L1053-I1090 HydrophobicContact CD1-CG2 3.4Å
1054	S	75.6	Confident	70.4	Confident	61 Å²	61	73.9 Å²	73.9	43%	0.427	39%	0.391	S	S	.	.	H	α-helix	trans	-72.2	-18	176.9	79.6	0	0	0	0	114.8	P1050 Q1051 H1052 K1058	P1050-S1054 VanDerWaalsContact O-CB 3.28Å; P1050-S1054 WeakPolarHBondContact O-CB 3.04Å; P1050-S1054 PolarHBondContact O-N 2.85Å; P1050-S1054 PolarHBondContact O-OG 3.36Å; Q1051-S1054 WeakPolarHBondContact CA-OG 3.49Å; Q1051-S1054 PolarHBondContact O-N 3.07Å; Q1051-S1054 VanDerWaalsContact O-N 3.12Å; Q1051-S1054 PolarHBondContact O-OG 3.42Å; H1052-S1054 VanDerWaalsContact C-N 3.26Å; H1052-S1054 PolarHBondContact O-N 2.9Å; S1054-K1058 WeakPolarHBondContact O-CE 3.41Å; S1054-K1058 WeakPolarHBondContact O-CG 3.37Å
1055	L	74.8	Confident	69.3	Low	74 Å²	74	73.5 Å²	73.5	39%	0.387	39%	0.392	S	S	.	.	H	α-helix	trans	-89.5	-39.2	178.1	-69.4	168.6	0	0	0	111.4	Q1051 H1052 L1053 F1057 K1058 S1061	Q1051-L1055 HydrophobicContact CG-CD1 4.21Å; Q1051-L1055 WeakPolarHBondContact O-CG 3.44Å; Q1051-L1055 PolarHBondContact O-N 2.98Å; Q1051-L1055 VanDerWaalsContact O-N 3.12Å; H1052-L1055 PolarHBondContact O-N 3.42Å; L1053-L1055 VanDerWaalsContact C-N 3.31Å; L1053-L1055 PolarHBondContact O-N 3.25Å; L1055-F1057 VanDerWaalsContact C-N 3.26Å; L1055-F1057 PolarHBondContact O-N 3.12Å; L1055-K1058 HydrophobicContact CD2-CD 4.47Å; L1055-K1058 PolarHBondContact O-N 2.89Å; L1055-S1061 PolarHBondContact O-OG 3.15Å
1056	I	72.6	Confident	68.8	Low	21 Å²	21	71 Å²	71	11%	0.108	37%	0.374	C	S	.	.	H	α-helix	trans	-58.2	-34.9	178.9	-68.5	159.4	0	0	0	112.4	D893 V896 T898 H1052 L1053	D893-I1056 HydrophobicContact CB-CD1 4.46Å; V896-I1056 HydrophobicContact CB-CD1 3.84Å; V896-I1056 HydrophobicContact CG1-CD1 4.26Å; V896-I1056 WeakPolarHBondContact O-CD1 3.21Å; T898-I1056 HydrophobicContact CG2-CG2 3.73Å; H1052-I1056 WeakPolarHBondContact O-CD1 3.29Å; H1052-I1056 WeakPolarHBondContact O-CG1 3.41Å; H1052-I1056 PolarHBondContact O-N 3.48Å; L1053-I1056 HydrophobicContact CD2-CD1 4.42Å
1057	F	71.3	Confident	68.4	Low	29 Å²	29	67.7 Å²	67.7	13%	0.127	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	17	-174.1	-63	-59.9	0	0	0	115.4	T898 L1053 L1055 F1073 I1076 Q1077 L1080	T898-F1057 HydrophobicContact CG2-CE1 3.99Å; T898-F1057 HydrophobicContact CG2-CZ 4.01Å; L1053-F1057 VanDerWaalsContact O-CD2 3.28Å; L1053-F1057 WeakPolarHBondContact O-CD2 3.39Å; L1055-F1057 VanDerWaalsContact C-N 3.26Å; L1055-F1057 PolarHBondContact O-N 3.12Å; F1057-F1073 HydrophobicContact CE1-CB 4.31Å; F1057-F1073 HydrophobicContact CZ-CB 4.23Å; F1057-I1076 HydrophobicContact CE2-CG2 4.39Å; F1057-I1076 HydrophobicContact CZ-CG2 4.04Å; F1057-Q1077 HydrophobicContact CB-CG 4.12Å; F1057-Q1077 HydrophobicContact CD1-CB 3.75Å; F1057-Q1077 HydrophobicContact CD1-CG 3.59Å; F1057-Q1077 HydrophobicContact CD2-CB 4.49Å; F1057-Q1077 HydrophobicContact CE1-CB 3.78Å; F1057-Q1077 HydrophobicContact CE1-CG 4.15Å; F1057-Q1077 HydrophobicContact CG-CB 4.13Å; F1057-Q1077 HydrophobicContact CG-CG 3.86Å; F1057-Q1077 HydrophobicContact CZ-CB 4.18Å; F1057-L1080 HydrophobicContact CD2-CD1 3.59Å; F1057-L1080 HydrophobicContact CE2-CD1 3.61Å
1058	K	67.9	Low	68.6	Low	110 Å²	110	65.9 Å²	65.9	48%	0.478	36%	0.361	S	S	.	.			trans	-76.9	143.1	170.9	-76	176.5	-178.8	-178.9	0	111.2	S1054 L1055 D1060 S1061 V1062	S1054-K1058 WeakPolarHBondContact O-CE 3.41Å; S1054-K1058 WeakPolarHBondContact O-CG 3.37Å; L1055-K1058 HydrophobicContact CD2-CD 4.47Å; L1055-K1058 PolarHBondContact O-N 2.89Å; K1058-D1060 VanDerWaalsContact C-N 3.29Å; K1058-D1060 PolarHBondContact O-N 2.98Å; K1058-S1061 PolarHBondContact O-OG 3.04Å; K1058-S1061 VanDerWaalsContact O-OG 3.11Å; K1058-V1062 WeakPolarHBondContact O-CG2 3.29Å; K1058-V1062 PolarHBondContact O-N 3.39Å
1059	E	53.3	Low	68.6	Low	139 Å²	139	65.1 Å²	65.1	65%	0.65	36%	0.356	S	S	*	.	H	α-helix	trans	-66	-28.7	-174.9	-64.7	-165.1	90.8	0	0	113.9	R1063	E1059-R1063 WeakPolarHBondContact O-CG 3.22Å; E1059-R1063 IonicContact OE1-NH2 3.32Å; E1059-R1063 PolarHBondContact OE1-NH2 3.44Å
1060	D	50	Low	68.8	Low	141 Å²	141	65 Å²	65	75%	0.754	36%	0.356	S	S	*	.	H	α-helix	trans	-75.5	-40.9	-177.7	-59.1	-49.3	0	0	0	113.2	K1058 V1062 R1063	K1058-D1060 VanDerWaalsContact C-N 3.29Å; K1058-D1060 PolarHBondContact O-N 2.98Å; D1060-V1062 VanDerWaalsContact C-N 3.34Å; D1060-R1063 PolarHBondContact O-N 2.74Å
1061	S	49.4	Very low	69.2	Low	64 Å²	64	65.2 Å²	65.2	45%	0.448	36%	0.357	S	S	.	.	H	α-helix	trans	-68.5	-35.2	179.1	46.6	0	0	0	0	112	L1055 K1058 R1063	L1055-S1061 PolarHBondContact O-OG 3.15Å; K1058-S1061 PolarHBondContact O-OG 3.04Å; K1058-S1061 VanDerWaalsContact O-OG 3.11Å; S1061-R1063 PolarHBondContact O-N 3.38Å
1062	V	50.3	Low	69.8	Low	46 Å²	46	62 Å²	62	28%	0.279	34%	0.342	S	S	.	.	H	α-helix	trans	-63.5	-36.2	177.9	166.5	0	0	0	0	112.9	K1058 D1060 I1069	K1058-V1062 WeakPolarHBondContact O-CG2 3.29Å; K1058-V1062 PolarHBondContact O-N 3.39Å; D1060-V1062 VanDerWaalsContact C-N 3.34Å; V1062-I1069 HydrophobicContact CB-CD1 4.3Å; V1062-I1069 HydrophobicContact CG1-CD1 3.57Å; V1062-I1069 HydrophobicContact CG2-CD1 3.79Å
1063	R	48.9	Very low	70.2	Confident	196 Å²	196	59.6 Å²	59.6	74%	0.74	33%	0.331	S	S	*	.	H	α-helix	trans	-87.1	-14.7	-171.2	-70.7	-178.8	-174.1	171.4	11	115.1	E1059 D1060 S1061	E1059-R1063 WeakPolarHBondContact O-CG 3.22Å; E1059-R1063 IonicContact OE1-NH2 3.32Å; E1059-R1063 PolarHBondContact OE1-NH2 3.44Å; D1060-R1063 PolarHBondContact O-N 2.74Å; S1061-R1063 PolarHBondContact O-N 3.38Å
1064	A	52.8	Low	70.7	Confident	87 Å²	87	65.7 Å²	65.7	72%	0.719	36%	0.357	S	S	*	.	H	α-helix	trans	-92.2	-51.5	-174.9	0	0	0	0	0	113.9
1065	G	63.1	Low	71.2	Confident	10 Å²	10	66.4 Å²	66.4	10%	0.103	36%	0.359	C	S	.	.	S	Bend	trans	-107.4	-30.2	-166.7	0	0	0	0	0	116.9
1066	C	74.4	Confident	71.8	Confident	25 Å²	25	63 Å²	63	17%	0.169	34%	0.341	C	S	.	.			trans	-85.5	139.9	-165.1	-171.4	0	0	0	0	114.2	F890 C899 R910 A1068	F890-C1066 HydrophobicContact CE2-CB 4.3Å; C899-C1066 WeakPolarHBondContact CA-SG 3.28Å; C899-C1066 HydrophobicContact CB-CB 4.14Å; C899-C1066 WeakPolarHBondContact CB-SG 3.39Å; C899-C1066 WeakPolarHBondContact SG-CA 3.14Å; C899-C1066 WeakPolarHBondContact SG-CB 3.24Å; C899-C1066 CovalentContact SG-SG 2.04Å; C899-C1066 PolarHBondContact SG-SG 2.73Å; R910-C1066 PolarHBondContact NH2-O 2.94Å; C1066-A1068 PolarHBondContact SG-O 3.13Å
1067	P	73.9	Confident	72.3	Confident	38 Å²	38	65.3 Å²	65.3	25%	0.247	35%	0.352	C	S	.	.	S	Bend	trans	-71	-50.2	170.8	-18.1	33	0	0	0	113.4	C899 D905 R910 F911	C899-P1067 WeakPolarHBondContact SG-CD 3.29Å; D905-P1067 WeakPolarHBondContact OD1-CB 3.39Å; D905-P1067 WeakPolarHBondContact OD1-CG 3.39Å; R910-P1067 VanDerWaalsContact NH1-CB 3.27Å; F911-P1067 HydrophobicContact CE2-CG 3.84Å; F911-P1067 HydrophobicContact CZ-CG 4.03Å
1068	A	80.7	Confident	73	Confident	51 Å²	51	70.4 Å²	70.4	42%	0.421	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	138.7	-176.1	0	0	0	0	0	110.6	E900 C1066	E900-A1068 PolarHBondContact N-O 3.27Å; C1066-A1068 PolarHBondContact SG-O 3.13Å
1069	I	83.3	Confident	73.8	Confident	54 Å²	54	66 Å²	66	28%	0.277	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	126.4	170.2	-69.1	175.9	0	0	0	108.9	V1062	V1062-I1069 HydrophobicContact CB-CD1 4.3Å; V1062-I1069 HydrophobicContact CG1-CD1 3.57Å; V1062-I1069 HydrophobicContact CG2-CD1 3.79Å
1070	A	86.9	Confident	75.3	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.331	C	S	.	.			trans	-57	117.8	173	0	0	0	0	0	110.3	T898 L1006 E1072 F1073 A1101	T898-A1070 WeakPolarHBondContact O-CB 3.42Å; T898-A1070 PolarHBondContact O-N 2.95Å; L1006-A1070 HydrophobicContact CD1-CB 4.04Å; A1070-E1072 WeakPolarHBondContact CB-OE2 3.34Å; A1070-E1072 PolarHBondContact O-N 2.85Å; A1070-F1073 HydrophobicContact CB-CD2 3.87Å; A1070-F1073 HydrophobicContact CB-CE2 4.09Å; A1070-F1073 PolarHBondContact O-N 2.7Å; A1070-A1101 HydrophobicContact CB-CB 4.07Å
1071	P	88.6	Confident	76.8	Confident	66 Å²	66	59 Å²	59	43%	0.429	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-62.4	-20.2	-169.4	24.8	-36	0	0	0	114.1	F1073 K1074	P1071-F1073 PolarHBondContact O-N 2.93Å; P1071-K1074 WeakPolarHBondContact O-CB 3.36Å; P1071-K1074 WeakPolarHBondContact O-CG 3.1Å; P1071-K1074 PolarHBondContact O-N 3.43Å
1072	E	91.3	Very high	78.5	Confident	37 Å²	37	64.2 Å²	64.2	17%	0.173	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-55.9	-30.9	176	-65.1	77.1	-169	0	0	113.1	A1070 K1074 A1097 V1100 A1101 R1104	A1070-E1072 WeakPolarHBondContact CB-OE2 3.34Å; A1070-E1072 PolarHBondContact O-N 2.85Å; E1072-K1074 VanDerWaalsContact C-N 3.31Å; E1072-K1074 PolarHBondContact O-N 3.35Å; E1072-A1097 HydrophobicContact CB-CB 4.19Å; E1072-A1097 WeakPolarHBondContact CB-O 3.42Å; E1072-V1100 HydrophobicContact CG-CB 3.9Å; E1072-V1100 HydrophobicContact CG-CG1 3.61Å; E1072-A1101 HydrophobicContact CB-CB 4.27Å; E1072-A1101 HydrophobicContact CG-CB 3.99Å; E1072-R1104 IonicContact OE1-CZ 2.93Å; E1072-R1104 IonicContact OE1-NE 3.23Å; E1072-R1104 PolarHBondContact OE1-NE 3.47Å; E1072-R1104 IonicContact OE1-NH2 3.82Å; E1072-R1104 PolarHBondContact OE1-NH2 3.33Å; E1072-R1104 IonicContact OE2-CZ 3.42Å; E1072-R1104 IonicContact OE2-NE 3.92Å; E1072-R1104 IonicContact OE2-NH2 3.7Å; E1072-R1104 PolarHBondContact OE2-NH2 3.28Å
1073	F	87.9	Confident	79.9	Confident	1 Å²	1	66.7 Å²	66.7	0%	0.004	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-80	-7.2	-176.3	-70.7	-92.2	0	0	0	114.5	V896 T898 L1006 F1057 A1070 P1071 T1075 I1076 Q1077 L1094 A1097 H1098 A1101	V896-F1073 HydrophobicContact CG1-CE1 3.88Å; T898-F1073 HydrophobicContact CG2-CB 3.78Å; T898-F1073 HydrophobicContact CG2-CD1 3.49Å; T898-F1073 VanDerWaalsContact CG2-CD1 3.49Å; T898-F1073 HydrophobicContact CG2-CD2 3.92Å; T898-F1073 HydrophobicContact CG2-CE1 3.97Å; T898-F1073 HydrophobicContact CG2-CE2 4.36Å; T898-F1073 HydrophobicContact CG2-CG 3.44Å; T898-F1073 VanDerWaalsContact CG2-CG 3.44Å; T898-F1073 HydrophobicContact CG2-CZ 4.37Å; L1006-F1073 HydrophobicContact CD1-CE2 4.11Å; F1057-F1073 HydrophobicContact CE1-CB 4.31Å; F1057-F1073 HydrophobicContact CZ-CB 4.23Å; A1070-F1073 HydrophobicContact CB-CD2 3.87Å; A1070-F1073 HydrophobicContact CB-CE2 4.09Å; A1070-F1073 PolarHBondContact O-N 2.7Å; P1071-F1073 PolarHBondContact O-N 2.93Å; F1073-T1075 PolarHBondContact O-N 2.87Å; F1073-I1076 HydrophobicContact CB-CG2 4.18Å; F1073-I1076 HydrophobicContact CD1-CG2 3.94Å; F1073-I1076 WeakPolarHBondContact O-CG2 3.16Å; F1073-I1076 PolarHBondContact O-N 3.31Å; F1073-Q1077 PolarHBondContact O-N 3.26Å; F1073-L1094 HydrophobicContact CE1-CD1 4.06Å; F1073-A1097 HydrophobicContact CD1-CB 3.7Å; F1073-A1097 HydrophobicContact CD2-CB 4.22Å; F1073-A1097 HydrophobicContact CE1-CB 3.84Å; F1073-A1097 HydrophobicContact CE2-CB 4.33Å; F1073-A1097 HydrophobicContact CG-CB 3.93Å; F1073-A1097 HydrophobicContact CZ-CB 4.16Å; F1073-H1098 HydrophobicContact CZ-CB 4.1Å; F1073-A1101 HydrophobicContact CE2-CB 4.19Å
1074	K	86.9	Confident	81.6	Confident	130 Å²	130	60.5 Å²	60.5	57%	0.565	34%	0.335	S	S	*	.	H	α-helix	trans	-58.4	-33.8	179.1	-70.1	175.2	179.5	178.1	0	112.9	P1071 E1072 W1078	P1071-K1074 WeakPolarHBondContact O-CB 3.36Å; P1071-K1074 WeakPolarHBondContact O-CG 3.1Å; P1071-K1074 PolarHBondContact O-N 3.43Å; E1072-K1074 VanDerWaalsContact C-N 3.31Å; E1072-K1074 PolarHBondContact O-N 3.35Å; K1074-W1078 WeakPolarHBondContact O-CB 3.41Å; K1074-W1078 PolarHBondContact O-N 3.19Å
1075	T	87.1	Confident	83.2	Confident	76 Å²	76	61.9 Å²	61.9	47%	0.466	33%	0.334	S	S	.	.	H	α-helix	trans	-67.7	-43.6	179.1	-52.8	0	0	0	0	112.1	F1073 W1078 L1079	F1073-T1075 PolarHBondContact O-N 2.87Å; T1075-W1078 PolarHBondContact O-N 3.1Å; T1075-L1079 WeakPolarHBondContact O-CG 3.03Å; T1075-L1079 PolarHBondContact O-N 3.4Å; T1075-L1079 VanDerWaalsContact O-N 3.09Å
1076	I	86.2	Confident	84.5	Confident	1 Å²	1	64 Å²	64	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-72.8	-35	177	-178.6	165.2	0	0	0	111.6	L1053 F1057 F1073 W1078 L1079 L1080 I1090 H1093 L1094	L1053-I1076 HydrophobicContact CD1-CD1 4.35Å; L1053-I1076 HydrophobicContact CD2-CD1 4.3Å; F1057-I1076 HydrophobicContact CE2-CG2 4.39Å; F1057-I1076 HydrophobicContact CZ-CG2 4.04Å; F1073-I1076 HydrophobicContact CB-CG2 4.18Å; F1073-I1076 HydrophobicContact CD1-CG2 3.94Å; F1073-I1076 WeakPolarHBondContact O-CG2 3.16Å; F1073-I1076 PolarHBondContact O-N 3.31Å; I1076-W1078 VanDerWaalsContact C-N 3.29Å; I1076-W1078 PolarHBondContact O-N 2.77Å; I1076-L1079 PolarHBondContact O-N 2.78Å; I1076-L1080 HydrophobicContact CG1-CD1 3.8Å; I1076-L1080 HydrophobicContact CG1-CG 4.22Å; I1076-L1080 WeakPolarHBondContact O-CB 3.28Å; I1076-L1080 WeakPolarHBondContact O-CD1 3.16Å; I1076-L1080 VanDerWaalsContact O-CG 3.27Å; I1076-L1080 WeakPolarHBondContact O-CG 3.28Å; I1076-L1080 PolarHBondContact O-N 3.32Å; I1076-I1090 HydrophobicContact CD1-CG2 4.17Å; I1076-H1093 HydrophobicContact CB-CB 4.38Å; I1076-L1094 HydrophobicContact CD1-CB 3.72Å; I1076-L1094 HydrophobicContact CD1-CD1 4.48Å
1077	Q	84.4	Confident	85.3	Confident	71 Å²	71	64.7 Å²	64.7	33%	0.332	35%	0.347	S	S	.	.	H	α-helix	trans	-56.9	-42.5	170.1	-172.8	176.5	25.8	0	0	112	F1057 F1073 L1080 S1081	F1057-Q1077 HydrophobicContact CB-CG 4.12Å; F1057-Q1077 HydrophobicContact CD1-CB 3.75Å; F1057-Q1077 HydrophobicContact CD1-CG 3.59Å; F1057-Q1077 HydrophobicContact CD2-CB 4.49Å; F1057-Q1077 HydrophobicContact CE1-CB 3.78Å; F1057-Q1077 HydrophobicContact CE1-CG 4.15Å; F1057-Q1077 HydrophobicContact CG-CB 4.13Å; F1057-Q1077 HydrophobicContact CG-CG 3.86Å; F1057-Q1077 HydrophobicContact CZ-CB 4.18Å; F1073-Q1077 PolarHBondContact O-N 3.26Å; Q1077-L1080 PolarHBondContact O-N 3.22Å; Q1077-S1081 PolarHBondContact O-N 3.08Å; Q1077-S1081 PolarHBondContact O-OG 2.89Å
1078	W	85.1	Confident	86.2	Confident	135 Å²	135	63.2 Å²	63.2	51%	0.511	34%	0.337	S	S	.	.	H	α-helix	trans	-69.9	-34.5	177.5	178.8	93.7	0	0	0	113.9	K1074 T1075 I1076 S1081 R1082	K1074-W1078 WeakPolarHBondContact O-CB 3.41Å; K1074-W1078 PolarHBondContact O-N 3.19Å; T1075-W1078 PolarHBondContact O-N 3.1Å; I1076-W1078 VanDerWaalsContact C-N 3.29Å; I1076-W1078 PolarHBondContact O-N 2.77Å; W1078-S1081 PolarHBondContact O-OG 3.39Å; W1078-S1081 VanDerWaalsContact O-OG 3.11Å; W1078-R1082 WeakPolarHBondContact O-CG 3.23Å; W1078-R1082 PolarHBondContact O-N 2.94Å
1079	L	85.7	Confident	86.8	Confident	19 Å²	19	62.1 Å²	62.1	10%	0.099	32%	0.324	C	S	.	.	H	α-helix	trans	-66.7	-44.6	172.8	-72.5	169.4	0	0	0	111.3	T1075 I1076 R1082 E1084 H1093	T1075-L1079 WeakPolarHBondContact O-CG 3.03Å; T1075-L1079 PolarHBondContact O-N 3.4Å; T1075-L1079 VanDerWaalsContact O-N 3.09Å; I1076-L1079 PolarHBondContact O-N 2.78Å; L1079-R1082 PolarHBondContact O-N 2.86Å; L1079-E1084 HydrophobicContact CB-CB 4.32Å; L1079-E1084 VanDerWaalsContact O-CB 3.3Å; L1079-E1084 WeakPolarHBondContact O-CB 3.32Å; L1079-E1084 PolarHBondContact O-N 3.13Å; L1079-H1093 HydrophobicContact CD1-CB 4.16Å; L1079-H1093 WeakPolarHBondContact CD1-CD2 3.41Å
1080	L	83.7	Confident	87.2	Confident	40 Å²	40	59.7 Å²	59.7	21%	0.209	31%	0.312	C	S	.	.	H	α-helix	trans	-68.4	-37.6	-179.3	-68.1	166	0	0	0	112.4	L1053 F1057 I1076 Q1077 R1082 S1083 I1090	L1053-L1080 HydrophobicContact CB-CD1 3.83Å; L1053-L1080 HydrophobicContact CB-CD2 4.43Å; L1053-L1080 HydrophobicContact CD1-CD1 4.38Å; L1053-L1080 HydrophobicContact CD1-CD2 4.45Å; L1053-L1080 HydrophobicContact CG-CD1 4.49Å; F1057-L1080 HydrophobicContact CD2-CD1 3.59Å; F1057-L1080 HydrophobicContact CE2-CD1 3.61Å; I1076-L1080 HydrophobicContact CG1-CD1 3.8Å; I1076-L1080 HydrophobicContact CG1-CG 4.22Å; I1076-L1080 WeakPolarHBondContact O-CB 3.28Å; I1076-L1080 WeakPolarHBondContact O-CD1 3.16Å; I1076-L1080 VanDerWaalsContact O-CG 3.27Å; I1076-L1080 WeakPolarHBondContact O-CG 3.28Å; I1076-L1080 PolarHBondContact O-N 3.32Å; Q1077-L1080 PolarHBondContact O-N 3.22Å; L1080-R1082 PolarHBondContact O-N 2.85Å; L1080-S1083 PolarHBondContact O-N 2.79Å; L1080-I1090 HydrophobicContact CD2-CD1 4.37Å
1081	S	82.6	Confident	87.4	Confident	93 Å²	93	59.8 Å²	59.8	65%	0.65	31%	0.312	S	S	*	.	H	α-helix	trans	-65.5	-20.3	175.3	70.6	0	0	0	0	113.3	Q1077 W1078 S1083	Q1077-S1081 PolarHBondContact O-N 3.08Å; Q1077-S1081 PolarHBondContact O-OG 2.89Å; W1078-S1081 PolarHBondContact O-OG 3.39Å; W1078-S1081 VanDerWaalsContact O-OG 3.11Å; S1081-S1083 VanDerWaalsContact C-N 3.32Å
1082	R	84	Confident	87.7	Confident	172 Å²	172	56.6 Å²	56.6	65%	0.649	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	7.3	171.9	-71.4	-178.2	162.9	-144.7	-6.5	114.2	W1078 L1079 L1080 E1084	W1078-R1082 WeakPolarHBondContact O-CG 3.23Å; W1078-R1082 PolarHBondContact O-N 2.94Å; L1079-R1082 PolarHBondContact O-N 2.86Å; L1080-R1082 PolarHBondContact O-N 2.85Å; R1082-E1084 VanDerWaalsContact C-N 3.29Å; R1082-E1084 PolarHBondContact O-N 3.02Å
1083	S	81.1	Confident	87.8	Confident	99 Å²	99	56.5 Å²	56.5	69%	0.692	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	37.8	-176.2	-54.4	0	0	0	0	113.7	L1080 S1081	L1080-S1083 PolarHBondContact O-N 2.79Å; S1081-S1083 VanDerWaalsContact C-N 3.32Å
1084	E	84.7	Confident	87.9	Confident	65 Å²	65	56.5 Å²	56.5	30%	0.304	29%	0.291	S	S	.	.			trans	-59.3	140.2	167.7	-179	53.6	-99.9	0	0	110.4	L1079 R1082 N1086 L1089 I1090	L1079-E1084 HydrophobicContact CB-CB 4.32Å; L1079-E1084 VanDerWaalsContact O-CB 3.3Å; L1079-E1084 WeakPolarHBondContact O-CB 3.32Å; L1079-E1084 PolarHBondContact O-N 3.13Å; R1082-E1084 VanDerWaalsContact C-N 3.29Å; R1082-E1084 PolarHBondContact O-N 3.02Å; E1084-N1086 VanDerWaalsContact OE1-CB 3.31Å; E1084-N1086 WeakPolarHBondContact OE1-CB 3.17Å; E1084-N1086 PolarHBondContact OE1-N 2.73Å; E1084-L1089 HydrophobicContact CG-CD2 3.93Å; E1084-L1089 WeakPolarHBondContact OE2-CD2 3.4Å; E1084-I1090 HydrophobicContact CG-CD1 4.44Å; E1084-I1090 HydrophobicContact CG-CG1 4.21Å
1085	T	85.3	Confident	88.1	Confident	116 Å²	116	50.4 Å²	50.4	71%	0.712	27%	0.265	S	S	*	.			trans	-128.2	-8.8	-174.8	53.6	0	0	0	0	114	P1087	T1085-P1087 VanDerWaalsContact O-CD 3.27Å; T1085-P1087 WeakPolarHBondContact O-CD 3.33Å
1086	N	90.3	Very high	88.5	Confident	56 Å²	56	48.7 Å²	48.7	30%	0.299	25%	0.252	S	S	.	.			trans	-66.8	111.1	177.4	178.8	-11.3	0	0	0	110.6	E1084 I1088 L1089 I1090	E1084-N1086 VanDerWaalsContact OE1-CB 3.31Å; E1084-N1086 WeakPolarHBondContact OE1-CB 3.17Å; E1084-N1086 PolarHBondContact OE1-N 2.73Å; N1086-I1088 PolarHBondContact O-N 2.79Å; N1086-I1088 WeakPolarHBondContact OD1-CB 3.3Å; N1086-I1088 PolarHBondContact OD1-N 3.49Å; N1086-L1089 HydrophobicContact CB-CB 3.95Å; N1086-L1089 PolarHBondContact O-N 3.34Å; N1086-L1089 PolarHBondContact OD1-N 3.06Å; N1086-I1090 WeakPolarHBondContact O-CD1 3.13Å; N1086-I1090 VanDerWaalsContact O-CG1 3.28Å; N1086-I1090 WeakPolarHBondContact O-CG1 3.43Å; N1086-I1090 PolarHBondContact O-N 3.37Å; N1086-I1090 VanDerWaalsContact O-N 3.08Å
1087	P	90.7	Very high	88.7	Confident	38 Å²	38	48.9 Å²	48.9	25%	0.247	25%	0.254	C	S	.	.	H	α-helix	trans	-65.6	-28.9	-174.3	27.8	-34.9	0	0	0	112.4	V1036 Y1044 T1085 L1091	V1036-P1087 HydrophobicContact CG2-CB 4.39Å; Y1044-P1087 HydrophobicContact CD1-CB 3.87Å; Y1044-P1087 HydrophobicContact CD2-CB 4.09Å; Y1044-P1087 HydrophobicContact CE1-CB 3.64Å; Y1044-P1087 HydrophobicContact CE2-CB 3.87Å; Y1044-P1087 HydrophobicContact CG-CB 4.08Å; T1085-P1087 VanDerWaalsContact O-CD 3.27Å; T1085-P1087 WeakPolarHBondContact O-CD 3.33Å; P1087-L1091 VanDerWaalsContact O-CB 3.25Å; P1087-L1091 WeakPolarHBondContact O-CB 3.39Å; P1087-L1091 WeakPolarHBondContact O-CD1 3.26Å; P1087-L1091 WeakPolarHBondContact O-CG 3.43Å; P1087-L1091 PolarHBondContact O-N 3.06Å
1088	I	93.9	Very high	89	Confident	8 Å²	8	45.5 Å²	45.5	4%	0.041	24%	0.238	C	C	.	.	H	α-helix	trans	-74.5	-43.4	-177.3	-58.5	173.4	0	0	0	109.9	I1032 Y1037 N1086 L1091 A1092 D1182 L1185 I1186	I1032-I1088 HydrophobicContact CG2-CG1 4.46Å; I1032-I1088 HydrophobicContact CG2-CG2 4.27Å; Y1037-I1088 HydrophobicContact CE2-CD1 4Å; Y1037-I1088 WeakPolarHBondContact OH-CD1 3.36Å; N1086-I1088 PolarHBondContact O-N 2.79Å; N1086-I1088 WeakPolarHBondContact OD1-CB 3.3Å; N1086-I1088 PolarHBondContact OD1-N 3.49Å; I1088-L1091 PolarHBondContact O-N 3.14Å; I1088-A1092 VanDerWaalsContact O-CB 3.24Å; I1088-A1092 WeakPolarHBondContact O-CB 3.32Å; I1088-A1092 PolarHBondContact O-N 3.19Å; I1088-D1182 HydrophobicContact CD1-CB 3.79Å; I1088-D1182 VanDerWaalsContact CD1-CG 3.43Å; I1088-D1182 HydrophobicContact CG2-CB 4.25Å; I1088-L1185 HydrophobicContact CG2-CD2 4.29Å; I1088-I1186 HydrophobicContact CG2-CD1 4.03Å; I1088-I1186 HydrophobicContact CG2-CG1 3.9Å
1089	L	93.2	Very high	89.3	Confident	28 Å²	28	39 Å²	39	15%	0.147	21%	0.214	C	C	.	.	H	α-helix	trans	-62.5	-45.9	174.9	-177.6	61.2	0	0	0	111.1	E1084 N1086 A1092 H1093 L1185 I1189	E1084-L1089 HydrophobicContact CG-CD2 3.93Å; E1084-L1089 WeakPolarHBondContact OE2-CD2 3.4Å; N1086-L1089 HydrophobicContact CB-CB 3.95Å; N1086-L1089 PolarHBondContact O-N 3.34Å; N1086-L1089 PolarHBondContact OD1-N 3.06Å; L1089-A1092 PolarHBondContact O-N 3.32Å; L1089-H1093 PolarHBondContact O-CD2 3.27Å; L1089-H1093 PolarHBondContact O-N 2.85Å; L1089-H1093 VanDerWaalsContact O-N 3.09Å; L1089-L1185 HydrophobicContact CB-CD2 4.48Å; L1089-L1185 HydrophobicContact CD1-CD1 4.37Å; L1089-I1189 HydrophobicContact CD1-CD1 3.53Å
1090	I	91.1	Very high	89.6	Confident	3 Å²	3	40.5 Å²	40.5	2%	0.015	22%	0.224	C	C	.	.	H	α-helix	trans	-62	-48.8	177.7	-67.2	166.5	0	0	0	110.8	L1053 I1076 L1080 E1084 N1086 L1094	L1053-I1090 HydrophobicContact CD1-CG2 3.4Å; I1076-I1090 HydrophobicContact CD1-CG2 4.17Å; L1080-I1090 HydrophobicContact CD2-CD1 4.37Å; E1084-I1090 HydrophobicContact CG-CD1 4.44Å; E1084-I1090 HydrophobicContact CG-CG1 4.21Å; N1086-I1090 WeakPolarHBondContact O-CD1 3.13Å; N1086-I1090 VanDerWaalsContact O-CG1 3.28Å; N1086-I1090 WeakPolarHBondContact O-CG1 3.43Å; N1086-I1090 PolarHBondContact O-N 3.37Å; N1086-I1090 VanDerWaalsContact O-N 3.08Å; I1090-L1094 VanDerWaalsContact O-CB 3.24Å; I1090-L1094 WeakPolarHBondContact O-CB 3.05Å; I1090-L1094 PolarHBondContact O-N 3.21Å
1091	L	92.1	Very high	90	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-68.5	-33.9	-179.8	-70.6	170.2	0	0	0	113	W1031 I1032 M1035 V1036 Y1044 P1087 I1088 L1094 W1095	W1031-L1091 HydrophobicContact CH2-CD2 3.81Å; W1031-L1091 HydrophobicContact CZ3-CB 4.1Å; W1031-L1091 HydrophobicContact CZ3-CD2 3.85Å; I1032-L1091 HydrophobicContact CD1-CB 4.15Å; I1032-L1091 HydrophobicContact CG1-CB 3.85Å; I1032-L1091 HydrophobicContact CG2-CD1 4.23Å; M1035-L1091 HydrophobicContact CB-CD1 3.72Å; M1035-L1091 HydrophobicContact CG-CD1 4.48Å; V1036-L1091 HydrophobicContact CG2-CD1 3.48Å; V1036-L1091 VanDerWaalsContact CG2-CD1 3.48Å; Y1044-L1091 HydrophobicContact CD2-CD1 3.78Å; Y1044-L1091 HydrophobicContact CD2-CD2 4Å; Y1044-L1091 HydrophobicContact CD2-CG 3.91Å; Y1044-L1091 HydrophobicContact CE2-CD1 4.28Å; Y1044-L1091 HydrophobicContact CE2-CD2 4.17Å; Y1044-L1091 HydrophobicContact CE2-CG 3.97Å; P1087-L1091 VanDerWaalsContact O-CB 3.25Å; P1087-L1091 WeakPolarHBondContact O-CB 3.39Å; P1087-L1091 WeakPolarHBondContact O-CD1 3.26Å; P1087-L1091 WeakPolarHBondContact O-CG 3.43Å; P1087-L1091 PolarHBondContact O-N 3.06Å; I1088-L1091 PolarHBondContact O-N 3.14Å; L1091-L1094 HydrophobicContact CD2-CD2 4.21Å; L1091-L1094 PolarHBondContact O-N 2.03Å; L1091-W1095 WeakPolarHBondContact O-CB 3.42Å; L1091-W1095 PolarHBondContact O-N 3.23Å
1092	A	94.6	Very high	90.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-65.3	-48.5	175.4	0	0	0	0	0	111.5	I1032 I1088 L1089 L1094 W1095 L1096 I1186 I1189 C1190	I1032-A1092 HydrophobicContact CD1-CB 3.99Å; I1088-A1092 VanDerWaalsContact O-CB 3.24Å; I1088-A1092 WeakPolarHBondContact O-CB 3.32Å; I1088-A1092 PolarHBondContact O-N 3.19Å; L1089-A1092 PolarHBondContact O-N 3.32Å; A1092-L1094 VanDerWaalsContact C-N 3.3Å; A1092-L1094 PolarHBondContact O-N 3.31Å; A1092-W1095 PolarHBondContact O-N 3.07Å; A1092-L1096 VanDerWaalsContact O-CB 3.27Å; A1092-L1096 WeakPolarHBondContact O-CB 3.37Å; A1092-L1096 PolarHBondContact O-N 3.4Å; A1092-I1186 HydrophobicContact CB-CG1 4.44Å; A1092-I1189 HydrophobicContact CB-CB 4.25Å; A1092-I1189 HydrophobicContact CB-CD1 3.78Å; A1092-I1189 HydrophobicContact CB-CG2 4.05Å; A1092-C1190 PolarHBondContact O-SG 3.42Å
1093	H	92.5	Very high	90.6	Very high	35 Å²	35	27 Å²	27	16%	0.162	16%	0.157	C	C	.	.	H	α-helix	trans	-66.4	-30.9	174.6	-79.1	-69.8	0	0	0	113	I1076 L1079 L1089 A1097	I1076-H1093 HydrophobicContact CB-CB 4.38Å; L1079-H1093 HydrophobicContact CD1-CB 4.16Å; L1079-H1093 WeakPolarHBondContact CD1-CD2 3.41Å; L1089-H1093 PolarHBondContact O-CD2 3.27Å; L1089-H1093 PolarHBondContact O-N 2.85Å; L1089-H1093 VanDerWaalsContact O-N 3.09Å; H1093-A1097 VanDerWaalsContact O-CB 3.28Å; H1093-A1097 WeakPolarHBondContact O-CB 3.37Å; H1093-A1097 PolarHBondContact O-N 2.98Å
1094	L	90.3	Very high	91.1	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-66	-52.4	174	172.3	57.2	0	0	0	112.2	V896 W1031 F1073 I1076 I1090 L1091 A1092 L1096 A1097 H1098	V896-L1094 HydrophobicContact CB-CD1 4.14Å; V896-L1094 HydrophobicContact CG1-CD1 3.45Å; V896-L1094 VanDerWaalsContact CG1-CD1 3.45Å; V896-L1094 HydrophobicContact CG2-CD1 3.52Å; V896-L1094 HydrophobicContact CG2-CD2 3.59Å; V896-L1094 HydrophobicContact CG2-CG 4.13Å; W1031-L1094 HydrophobicContact CH2-CD2 4.03Å; W1031-L1094 HydrophobicContact CH2-CG 4.4Å; F1073-L1094 HydrophobicContact CE1-CD1 4.06Å; I1076-L1094 HydrophobicContact CD1-CB 3.72Å; I1076-L1094 HydrophobicContact CD1-CD1 4.48Å; I1090-L1094 VanDerWaalsContact O-CB 3.24Å; I1090-L1094 WeakPolarHBondContact O-CB 3.05Å; I1090-L1094 PolarHBondContact O-N 3.21Å; L1091-L1094 HydrophobicContact CD2-CD2 4.21Å; L1091-L1094 PolarHBondContact O-N 2.03Å; A1092-L1094 VanDerWaalsContact C-N 3.3Å; A1092-L1094 PolarHBondContact O-N 3.31Å; L1094-L1096 VanDerWaalsContact C-N 3.27Å; L1094-L1096 PolarHBondContact O-N 2.98Å; L1094-A1097 PolarHBondContact O-N 2.92Å; L1094-H1098 WeakPolarHBondContact O-CB 3.42Å; L1094-H1098 PolarHBondContact O-N 3.33Å
1095	W	92.6	Very high	91.4	Very high	1 Å²	1	22.4 Å²	22.4	0%	0.004	12%	0.122	C	C	.	.	H	α-helix	trans	-58	-44.1	176.5	179.7	102.7	0	0	0	110.1	L855 V1025 R1026 P1028 W1031 L1091 A1092 T1099 C1190 V1193 M1194 L1197	L855-W1095 HydrophobicContact CD1-CG 4.31Å; V1025-W1095 HydrophobicContact CG2-CZ2 4.18Å; R1026-W1095 PolarHBondContact O-NE1 2.88Å; P1028-W1095 HydrophobicContact CB-CD2 3.65Å; P1028-W1095 HydrophobicContact CB-CE3 3.93Å; P1028-W1095 HydrophobicContact CB-CG 3.97Å; P1028-W1095 HydrophobicContact CB-CH2 4.5Å; P1028-W1095 HydrophobicContact CB-CZ2 4.23Å; P1028-W1095 HydrophobicContact CB-CZ3 4.35Å; P1028-W1095 HydrophobicContact CG-CD2 4.26Å; P1028-W1095 HydrophobicContact CG-CE3 4.23Å; P1028-W1095 HydrophobicContact CG-CH2 4.06Å; P1028-W1095 HydrophobicContact CG-CZ2 4.04Å; P1028-W1095 HydrophobicContact CG-CZ3 4.15Å; W1031-W1095 HydrophobicContact CE3-CB 4.08Å; W1031-W1095 AromaticContact CE3-CD1 3.95Å; W1031-W1095 HydrophobicContact CE3-CG 4.4Å; W1031-W1095 HydrophobicContact CZ3-CB 3.96Å; L1091-W1095 WeakPolarHBondContact O-CB 3.42Å; L1091-W1095 PolarHBondContact O-N 3.23Å; A1092-W1095 PolarHBondContact O-N 3.07Å; W1095-T1099 HydrophobicContact CH2-CG2 4.2Å; W1095-T1099 HydrophobicContact CZ2-CG2 4.23Å; W1095-T1099 VanDerWaalsContact O-CB 3.28Å; W1095-T1099 WeakPolarHBondContact O-CB 3.45Å; W1095-T1099 PolarHBondContact O-N 2.93Å; W1095-T1099 PolarHBondContact O-OG1 3.38Å; W1095-T1099 VanDerWaalsContact O-OG1 3.06Å; W1095-C1190 HydrophobicContact CE3-CB 3.99Å; W1095-C1190 HydrophobicContact CZ3-CB 3.79Å; W1095-V1193 HydrophobicContact CH2-CB 4.45Å; W1095-V1193 HydrophobicContact CH2-CG1 3.95Å; W1095-V1193 HydrophobicContact CZ3-CB 4.17Å; W1095-V1193 HydrophobicContact CZ3-CG1 4Å; W1095-M1194 HydrophobicContact CH2-CG 4.4Å; W1095-L1197 HydrophobicContact CH2-CD1 3.67Å; W1095-L1197 HydrophobicContact CZ2-CD1 3.78Å
1096	L	94.1	Very high	91.6	Very high	40 Å²	40	17.5 Å²	17.5	21%	0.209	9%	0.093	C	C	.	.	H	α-helix	trans	-59.7	-50.1	177.4	178.4	65.4	0	0	0	111.7	A1092 L1094 V1100 I1189 V1193	A1092-L1096 VanDerWaalsContact O-CB 3.27Å; A1092-L1096 WeakPolarHBondContact O-CB 3.37Å; A1092-L1096 PolarHBondContact O-N 3.4Å; L1094-L1096 VanDerWaalsContact C-N 3.27Å; L1094-L1096 PolarHBondContact O-N 2.98Å; L1096-V1100 HydrophobicContact CD1-CG2 3.94Å; L1096-V1100 WeakPolarHBondContact O-CB 3.46Å; L1096-V1100 VanDerWaalsContact O-CG2 3.24Å; L1096-V1100 WeakPolarHBondContact O-CG2 3.45Å; L1096-V1100 PolarHBondContact O-N 3.45Å; L1096-I1189 HydrophobicContact CB-CG2 4.49Å; L1096-I1189 HydrophobicContact CD2-CG2 3.82Å; L1096-V1193 HydrophobicContact CD1-CB 4.16Å; L1096-V1193 HydrophobicContact CD1-CG2 3.5Å
1097	A	91.1	Very high	91.6	Very high	5 Å²	5	21.7 Å²	21.7	4%	0.041	11%	0.111	C	C	.	.	H	α-helix	trans	-62.9	-46.3	-178.4	0	0	0	0	0	111.9	E1072 F1073 H1093 L1094 A1101	E1072-A1097 HydrophobicContact CB-CB 4.19Å; E1072-A1097 WeakPolarHBondContact CB-O 3.42Å; F1073-A1097 HydrophobicContact CD1-CB 3.7Å; F1073-A1097 HydrophobicContact CD2-CB 4.22Å; F1073-A1097 HydrophobicContact CE1-CB 3.84Å; F1073-A1097 HydrophobicContact CE2-CB 4.33Å; F1073-A1097 HydrophobicContact CG-CB 3.93Å; F1073-A1097 HydrophobicContact CZ-CB 4.16Å; H1093-A1097 VanDerWaalsContact O-CB 3.28Å; H1093-A1097 WeakPolarHBondContact O-CB 3.37Å; H1093-A1097 PolarHBondContact O-N 2.98Å; L1094-A1097 PolarHBondContact O-N 2.92Å; A1097-A1101 VanDerWaalsContact O-CB 3.28Å; A1097-A1101 WeakPolarHBondContact O-CB 3.21Å; A1097-A1101 PolarHBondContact O-N 3.09Å
1098	H	89.6	Confident	91.6	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.9	-49	177.8	-173.9	-87.8	0	0	0	112	L855 G1002 Y1023 F1073 L1094 V1100 A1101 A1102	L855-H1098 HydrophobicContact CD1-CB 4.36Å; L855-H1098 HydrophobicContact CD2-CB 4.05Å; L855-H1098 HydrophobicContact CG-CB 4.49Å; G1002-H1098 PolarHBondContact O-NE2 2.41Å; Y1023-H1098 PolarHBondContact OH-ND1 3.32Å; F1073-H1098 HydrophobicContact CZ-CB 4.1Å; L1094-H1098 WeakPolarHBondContact O-CB 3.42Å; L1094-H1098 PolarHBondContact O-N 3.33Å; H1098-V1100 PolarHBondContact O-N 2.92Å; H1098-A1101 PolarHBondContact O-N 3.13Å; H1098-A1102 VanDerWaalsContact O-CB 3.25Å; H1098-A1102 WeakPolarHBondContact O-CB 3.46Å; H1098-A1102 PolarHBondContact O-N 3.07Å
1099	T	91.5	Very high	91.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-71.8	-31.4	-175.3	-58.5	0	0	0	0	112.7	Y1023 V1025 W1095 L1103 V1193 L1197	Y1023-T1099 PolarHBondContact OH-OG1 3.43Å; V1025-T1099 HydrophobicContact CG2-CG2 4.08Å; W1095-T1099 HydrophobicContact CH2-CG2 4.2Å; W1095-T1099 HydrophobicContact CZ2-CG2 4.23Å; W1095-T1099 VanDerWaalsContact O-CB 3.28Å; W1095-T1099 WeakPolarHBondContact O-CB 3.45Å; W1095-T1099 PolarHBondContact O-N 2.93Å; W1095-T1099 PolarHBondContact O-OG1 3.38Å; W1095-T1099 VanDerWaalsContact O-OG1 3.06Å; T1099-L1103 HydrophobicContact CG2-CD1 4.38Å; T1099-L1103 WeakPolarHBondContact O-CD1 3.26Å; T1099-L1103 VanDerWaalsContact O-CG 3.23Å; T1099-L1103 WeakPolarHBondContact O-CG 3.28Å; T1099-L1103 PolarHBondContact O-N 2.78Å; T1099-L1103 VanDerWaalsContact O-N 3.1Å; T1099-V1193 HydrophobicContact CG2-CG1 3.96Å; T1099-L1197 HydrophobicContact CG2-CD1 3.99Å
1100	V	92.9	Very high	91.2	Very high	50 Å²	50	24.4 Å²	24.4	30%	0.303	13%	0.128	S	C	.	.	H	α-helix	trans	-68.3	-46.7	170.7	175.9	0	0	0	0	110.9	E1072 L1096 H1098 A1102 L1103 R1104 V1193	E1072-V1100 HydrophobicContact CG-CB 3.9Å; E1072-V1100 HydrophobicContact CG-CG1 3.61Å; L1096-V1100 HydrophobicContact CD1-CG2 3.94Å; L1096-V1100 WeakPolarHBondContact O-CB 3.46Å; L1096-V1100 VanDerWaalsContact O-CG2 3.24Å; L1096-V1100 WeakPolarHBondContact O-CG2 3.45Å; L1096-V1100 PolarHBondContact O-N 3.45Å; H1098-V1100 PolarHBondContact O-N 2.92Å; V1100-A1102 VanDerWaalsContact C-N 3.33Å; V1100-A1102 PolarHBondContact O-N 3.35Å; V1100-L1103 PolarHBondContact O-N 3.45Å; V1100-R1104 PolarHBondContact O-N 3.19Å; V1100-V1193 HydrophobicContact CG2-CG2 3.53Å
1101	A	90.9	Very high	90.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.6	-40.2	178.5	0	0	0	0	0	111.6	L1006 A1070 E1072 F1073 A1097 H1098 L1103 R1104 V1105	L1006-A1101 HydrophobicContact CD1-CB 4.46Å; L1006-A1101 HydrophobicContact CD2-CB 3.56Å; A1070-A1101 HydrophobicContact CB-CB 4.07Å; E1072-A1101 HydrophobicContact CB-CB 4.27Å; E1072-A1101 HydrophobicContact CG-CB 3.99Å; F1073-A1101 HydrophobicContact CE2-CB 4.19Å; A1097-A1101 VanDerWaalsContact O-CB 3.28Å; A1097-A1101 WeakPolarHBondContact O-CB 3.21Å; A1097-A1101 PolarHBondContact O-N 3.09Å; H1098-A1101 PolarHBondContact O-N 3.13Å; A1101-L1103 PolarHBondContact O-N 3.27Å; A1101-R1104 PolarHBondContact O-N 2.87Å; A1101-V1105 WeakPolarHBondContact O-CB 3.35Å; A1101-V1105 VanDerWaalsContact O-CG2 3.27Å; A1101-V1105 WeakPolarHBondContact O-CG2 3.37Å; A1101-V1105 PolarHBondContact O-N 2.8Å
1102	A	89.9	Confident	90.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.1	-43	173.5	0	0	0	0	0	112.8	T1005 Y1023 H1098 V1100 V1105 A1106	T1005-A1102 HydrophobicContact CG2-CB 3.5Å; T1005-A1102 VanDerWaalsContact CG2-CB 3.5Å; Y1023-A1102 HydrophobicContact CE1-CB 4.11Å; Y1023-A1102 HydrophobicContact CE2-CB 4.22Å; H1098-A1102 VanDerWaalsContact O-CB 3.25Å; H1098-A1102 WeakPolarHBondContact O-CB 3.46Å; H1098-A1102 PolarHBondContact O-N 3.07Å; V1100-A1102 VanDerWaalsContact C-N 3.33Å; V1100-A1102 PolarHBondContact O-N 3.35Å; A1102-V1105 PolarHBondContact O-N 3.43Å; A1102-A1106 WeakPolarHBondContact O-CB 3.49Å; A1102-A1106 PolarHBondContact O-N 3.21Å
1103	L	90.6	Very high	90.4	Very high	22 Å²	22	37.5 Å²	37.5	12%	0.115	19%	0.192	C	C	.	.	H	α-helix	trans	-66.6	-44.4	176.4	-71.1	168.5	0	0	0	111.7	T1099 V1100 A1101 V1105 A1106 E1107 V1193 L1197	T1099-L1103 HydrophobicContact CG2-CD1 4.38Å; T1099-L1103 WeakPolarHBondContact O-CD1 3.26Å; T1099-L1103 VanDerWaalsContact O-CG 3.23Å; T1099-L1103 WeakPolarHBondContact O-CG 3.28Å; T1099-L1103 PolarHBondContact O-N 2.78Å; T1099-L1103 VanDerWaalsContact O-N 3.1Å; V1100-L1103 PolarHBondContact O-N 3.45Å; A1101-L1103 PolarHBondContact O-N 3.27Å; L1103-V1105 VanDerWaalsContact C-N 3.35Å; L1103-V1105 PolarHBondContact O-N 2.8Å; L1103-A1106 WeakPolarHBondContact O-CB 3.29Å; L1103-A1106 PolarHBondContact O-N 2.77Å; L1103-E1107 WeakPolarHBondContact O-CG 3.45Å; L1103-E1107 PolarHBondContact O-N 2.97Å; L1103-V1193 HydrophobicContact CD1-CG1 4.26Å; L1103-L1197 HydrophobicContact CD1-CD2 4.39Å
1104	R	92.1	Very high	90.5	Very high	67 Å²	67	37.5 Å²	37.5	25%	0.253	19%	0.191	S	C	.	.	H	α-helix	trans	-60.8	-42.4	174.6	177.3	178.9	56.3	72.3	-0.5	112.1	E900 E1072 V1100 A1101 A1106 E1107	E900-R1104 IonicContact OE1-CZ 2.97Å; E900-R1104 IonicContact OE1-NH1 3.48Å; E900-R1104 PolarHBondContact OE1-NH1 3.06Å; E900-R1104 IonicContact OE2-CZ 3.7Å; E900-R1104 VanDerWaalsContact OE2-CZ 3.23Å; E900-R1104 IonicContact OE2-NH1 3.89Å; E900-R1104 PolarHBondContact OE2-NH1 3.49Å; E900-R1104 IonicContact OE2-NH2 3.55Å; E900-R1104 PolarHBondContact OE2-NH2 2.99Å; E1072-R1104 IonicContact OE1-CZ 2.93Å; E1072-R1104 IonicContact OE1-NE 3.23Å; E1072-R1104 PolarHBondContact OE1-NE 3.47Å; E1072-R1104 IonicContact OE1-NH2 3.82Å; E1072-R1104 PolarHBondContact OE1-NH2 3.33Å; E1072-R1104 IonicContact OE2-CZ 3.42Å; E1072-R1104 IonicContact OE2-NE 3.92Å; E1072-R1104 IonicContact OE2-NH2 3.7Å; E1072-R1104 PolarHBondContact OE2-NH2 3.28Å; V1100-R1104 PolarHBondContact O-N 3.19Å; A1101-R1104 PolarHBondContact O-N 2.87Å; R1104-A1106 VanDerWaalsContact C-N 3.33Å; R1104-E1107 WeakPolarHBondContact O-CB 3.29Å; R1104-E1107 PolarHBondContact O-N 2.87Å
1105	V	90.6	Very high	90.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.3	-39.2	177.3	165.5	0	0	0	0	110.8	E900 L1006 L1008 P1009 A1101 A1102 L1103 E1107 T1108	E900-V1105 HydrophobicContact CG-CG2 4.21Å; L1006-V1105 HydrophobicContact CD2-CG2 4.04Å; L1008-V1105 HydrophobicContact CB-CG1 4.48Å; P1009-V1105 HydrophobicContact CG-CG1 3.65Å; A1101-V1105 WeakPolarHBondContact O-CB 3.35Å; A1101-V1105 VanDerWaalsContact O-CG2 3.27Å; A1101-V1105 WeakPolarHBondContact O-CG2 3.37Å; A1101-V1105 PolarHBondContact O-N 2.8Å; A1102-V1105 PolarHBondContact O-N 3.43Å; L1103-V1105 VanDerWaalsContact C-N 3.35Å; L1103-V1105 PolarHBondContact O-N 2.8Å; V1105-E1107 VanDerWaalsContact C-N 3.34Å; V1105-E1107 PolarHBondContact O-N 2.97Å; V1105-T1108 WeakPolarHBondContact O-CB 3.46Å; V1105-T1108 PolarHBondContact O-N 3.07Å; V1105-T1108 VanDerWaalsContact O-N 3.07Å; V1105-T1108 PolarHBondContact O-OG1 3.46Å
1106	A	89	Confident	90.9	Very high	13 Å²	13	43.7 Å²	43.7	11%	0.107	22%	0.217	C	C	.	.	H	α-helix	trans	-63.6	-34.8	175	0	0	0	0	0	113.5	A1102 L1103 R1104 T1108 L1109 Y1114	A1102-A1106 WeakPolarHBondContact O-CB 3.49Å; A1102-A1106 PolarHBondContact O-N 3.21Å; L1103-A1106 WeakPolarHBondContact O-CB 3.29Å; L1103-A1106 PolarHBondContact O-N 2.77Å; R1104-A1106 VanDerWaalsContact C-N 3.33Å; A1106-T1108 PolarHBondContact O-N 3.48Å; A1106-L1109 WeakPolarHBondContact O-CB 3.35Å; A1106-L1109 PolarHBondContact O-N 2.93Å; A1106-Y1114 HydrophobicContact CB-CD1 3.77Å; A1106-Y1114 HydrophobicContact CB-CD2 4.05Å; A1106-Y1114 HydrophobicContact CB-CE1 3.43Å; A1106-Y1114 VanDerWaalsContact CB-CE1 3.43Å; A1106-Y1114 HydrophobicContact CB-CE2 3.74Å; A1106-Y1114 HydrophobicContact CB-CG 4.05Å
1107	E	89.9	Confident	91	Very high	144 Å²	144	42.2 Å²	42.2	67%	0.673	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-11.4	172.6	-69.5	167.1	-170.8	0	0	113.1	L1103 R1104 V1105	L1103-E1107 WeakPolarHBondContact O-CG 3.45Å; L1103-E1107 PolarHBondContact O-N 2.97Å; R1104-E1107 WeakPolarHBondContact O-CB 3.29Å; R1104-E1107 PolarHBondContact O-N 2.87Å; V1105-E1107 VanDerWaalsContact C-N 3.34Å; V1105-E1107 PolarHBondContact O-N 2.97Å
1108	T	90.3	Very high	91.2	Very high	66 Å²	66	45 Å²	45	41%	0.405	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-0.8	174.4	76.7	0	0	0	0	114.7	R903 V1105 A1106	R903-T1108 PolarHBondContact NH2-O 3.3Å; V1105-T1108 WeakPolarHBondContact O-CB 3.46Å; V1105-T1108 PolarHBondContact O-N 3.07Å; V1105-T1108 VanDerWaalsContact O-N 3.07Å; V1105-T1108 PolarHBondContact O-OG1 3.46Å; A1106-T1108 PolarHBondContact O-N 3.48Å
1109	L	90.4	Very high	91.3	Very high	17 Å²	17	45 Å²	45	9%	0.089	22%	0.218	C	C	.	.	S	Bend	trans	-100.5	153.3	-178.5	-59.7	176.8	0	0	0	111.1	L1008 P1009 Q1012 A1106 Y1114	L1008-L1109 HydrophobicContact CB-CD1 3.9Å; L1008-L1109 HydrophobicContact CB-CD2 4.48Å; L1008-L1109 HydrophobicContact CD1-CD1 4.25Å; P1009-L1109 HydrophobicContact CG-CD2 4.36Å; Q1012-L1109 HydrophobicContact CB-CD2 4Å; Q1012-L1109 HydrophobicContact CG-CD2 4.23Å; A1106-L1109 WeakPolarHBondContact O-CB 3.35Å; A1106-L1109 PolarHBondContact O-N 2.93Å; L1109-Y1114 HydrophobicContact CD1-CD2 3.9Å; L1109-Y1114 HydrophobicContact CD1-CG 4.27Å
1110	P	89.2	Confident	91.4	Very high	47 Å²	47	45.9 Å²	45.9	31%	0.305	22%	0.223	S	C	.	.			trans	-56.7	140.3	168	-23.7	33.6	0	0	0	112.1	D1112 S1113	P1110-D1112 VanDerWaalsContact CB-OD1 3.27Å; P1110-D1112 WeakPolarHBondContact CB-OD1 3.37Å; P1110-D1112 PolarHBondContact O-N 3.5Å; P1110-S1113 VanDerWaalsContact CD-OG 3.31Å; P1110-S1113 WeakPolarHBondContact CD-OG 3.4Å; P1110-S1113 WeakPolarHBondContact O-CB 3.38Å; P1110-S1113 PolarHBondContact O-N 2.64Å; P1110-S1113 PolarHBondContact O-OG 3.16Å
1111	E	84.7	Confident	91.5	Very high	193 Å²	193	45.2 Å²	45.2	90%	0.902	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-58.8	-31.7	-178.6	-63.3	-172.7	149.6	0	0	113	S1113	E1111-S1113 VanDerWaalsContact C-N 3.26Å; E1111-S1113 PolarHBondContact O-N 3.04Å
1112	D	85.8	Confident	91.7	Very high	85 Å²	85	45.3 Å²	45.3	46%	0.455	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-77.5	-9.3	177.3	76.2	-56.9	0	0	0	113.6	R1020 P1110 F1136	R1020-D1112 WeakPolarHBondContact CD-O 3.31Å; R1020-D1112 IonicContact CZ-OD2 3.7Å; R1020-D1112 PolarHBondContact NE-O 3.04Å; R1020-D1112 PolarHBondContact NH1-O 3.44Å; R1020-D1112 IonicContact NH1-OD2 3.95Å; R1020-D1112 PolarHBondContact NH1-OD2 3.27Å; R1020-D1112 PolarHBondContact NH2-O 3.07Å; R1020-D1112 IonicContact NH2-OD2 3.37Å; R1020-D1112 PolarHBondContact NH2-OD2 3.48Å; P1110-D1112 VanDerWaalsContact CB-OD1 3.27Å; P1110-D1112 WeakPolarHBondContact CB-OD1 3.37Å; P1110-D1112 PolarHBondContact O-N 3.5Å; D1112-F1136 VanDerWaalsContact O-CE2 3.25Å; D1112-F1136 WeakPolarHBondContact O-CE2 3.2Å
1113	S	91.2	Very high	91.8	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.007	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-99	-12	-174.6	75.3	0	0	0	0	114.8	Q1012 A1021 P1110 E1111	Q1012-S1113 VanDerWaalsContact OE1-CB 3.24Å; Q1012-S1113 PolarHBondContact OE1-OG 2.94Å; A1021-S1113 PolarHBondContact N-O 2.93Å; P1110-S1113 VanDerWaalsContact CD-OG 3.31Å; P1110-S1113 WeakPolarHBondContact CD-OG 3.4Å; P1110-S1113 WeakPolarHBondContact O-CB 3.38Å; P1110-S1113 PolarHBondContact O-N 2.64Å; P1110-S1113 PolarHBondContact O-OG 3.16Å; E1111-S1113 VanDerWaalsContact C-N 3.26Å; E1111-S1113 PolarHBondContact O-N 3.04Å
1114	Y	94.7	Very high	91.8	Very high	35 Å²	35	46.5 Å²	46.5	14%	0.137	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	125.4	-173.4	178.1	-90.2	0	0	0	113.3	L1008 A1021 Y1023 A1106 L1109 R1116	L1008-Y1114 HydrophobicContact CD1-CD2 4.14Å; L1008-Y1114 HydrophobicContact CD1-CE2 4.05Å; A1021-Y1114 HydrophobicContact CB-CD2 4.08Å; A1021-Y1114 WeakPolarHBondContact O-CA 3.36Å; Y1023-Y1114 WeakPolarHBondContact CB-OH 3.21Å; Y1023-Y1114 VanDerWaalsContact CD1-OH 3.25Å; Y1023-Y1114 WeakPolarHBondContact CD1-OH 3.47Å; A1106-Y1114 HydrophobicContact CB-CD1 3.77Å; A1106-Y1114 HydrophobicContact CB-CD2 4.05Å; A1106-Y1114 HydrophobicContact CB-CE1 3.43Å; A1106-Y1114 VanDerWaalsContact CB-CE1 3.43Å; A1106-Y1114 HydrophobicContact CB-CE2 3.74Å; A1106-Y1114 HydrophobicContact CB-CG 4.05Å; L1109-Y1114 HydrophobicContact CD1-CD2 3.9Å; L1109-Y1114 HydrophobicContact CD1-CG 4.27Å; Y1114-R1116 HydrophobicContact CE1-CB 4.09Å
1115	L	95.8	Very high	91.8	Very high	31 Å²	31	48.4 Å²	48.4	16%	0.162	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.4	172.9	-179.1	67.5	0	0	0	110.8	A1021 V1022 Y1023 V1117 T1132 I1133 F1136	A1021-L1115 PolarHBondContact O-N 3.16Å; V1022-L1115 CarbonylContact C-O 3.55Å; V1022-L1115 WeakPolarHBondContact CA-O 3.16Å; Y1023-L1115 PolarHBondContact N-O 3.34Å; L1115-V1117 HydrophobicContact CD2-CG2 3.82Å; L1115-V1117 HydrophobicContact CG-CG2 3.92Å; L1115-T1132 HydrophobicContact CD1-CG2 4.35Å; L1115-T1132 HydrophobicContact CD2-CG2 4.49Å; L1115-I1133 HydrophobicContact CD2-CB 4.44Å; L1115-I1133 HydrophobicContact CD2-CG1 3.88Å; L1115-F1136 HydrophobicContact CB-CD1 3.57Å; L1115-F1136 HydrophobicContact CB-CD2 3.91Å; L1115-F1136 HydrophobicContact CB-CE1 3.52Å; L1115-F1136 HydrophobicContact CB-CE2 3.87Å; L1115-F1136 HydrophobicContact CB-CG 3.76Å; L1115-F1136 HydrophobicContact CB-CZ 3.68Å; L1115-F1136 HydrophobicContact CD2-CB 3.95Å; L1115-F1136 HydrophobicContact CD2-CD1 3.78Å; L1115-F1136 HydrophobicContact CD2-CE1 4.48Å; L1115-F1136 HydrophobicContact CD2-CG 3.95Å; L1115-F1136 HydrophobicContact CG-CD1 4.28Å; L1115-F1136 HydrophobicContact CG-CG 4.33Å
1116	R	94.4	Very high	91.9	Very high	102 Å²	102	49.3 Å²	49.3	39%	0.385	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	120.1	171.9	-176.1	-175.6	74.7	-169.6	7.1	110.1	Y1023 V1025 Y1114 R1196	Y1023-R1116 HydrophobicContact CD1-CG 4.32Å; V1025-R1116 HydrophobicContact CG1-CG 4.4Å; Y1114-R1116 HydrophobicContact CE1-CB 4.09Å; R1116-R1196 PolarHBondContact NH1-O 1.96Å; R1116-R1196 PolarHBondContact NH2-O 2.81Å
1117	V	95.7	Very high	92	Very high	8 Å²	8	53.1 Å²	53.1	5%	0.048	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	145.3	178.3	-177.5	0	0	0	0	109.3	V1022 Y1023 L1024 V1025 L1115 V1122 T1129 I1133	V1022-V1117 HydrophobicContact CG1-CG2 3.89Å; Y1023-V1117 PolarHBondContact O-N 2.78Å; L1024-V1117 WeakPolarHBondContact CA-O 3.44Å; L1024-V1117 HydrophobicContact CD1-CB 3.98Å; L1024-V1117 HydrophobicContact CD1-CG1 3.81Å; V1025-V1117 PolarHBondContact N-O 3.15Å; L1115-V1117 HydrophobicContact CD2-CG2 3.82Å; L1115-V1117 HydrophobicContact CG-CG2 3.92Å; V1117-V1122 HydrophobicContact CG1-CG2 3.58Å; V1117-T1129 HydrophobicContact CG1-CG2 3.61Å; V1117-I1133 HydrophobicContact CG2-CD1 4.21Å; V1117-I1133 HydrophobicContact CG2-CG1 4.02Å
1118	R	95.1	Very high	92.1	Very high	63 Å²	63	52.2 Å²	52.2	24%	0.238	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	135.3	171.3	-53.3	-174.2	-64.5	-176	8.4	110.1	V1025 E1120 D1121 V1122 L1197 G1198	V1025-R1118 HydrophobicContact CG1-CG 4Å; V1025-R1118 CarbonylContact O-C 3.56Å; V1025-R1118 WeakPolarHBondContact O-CA 3.49Å; R1118-E1120 PolarHBondContact O-N 2.81Å; R1118-D1121 HydrophobicContact CB-CB 4.36Å; R1118-D1121 WeakPolarHBondContact CB-OD2 3.14Å; R1118-D1121 IonicContact CZ-OD1 3.79Å; R1118-D1121 IonicContact CZ-OD2 2.71Å; R1118-D1121 IonicContact NE-OD1 2.7Å; R1118-D1121 PolarHBondContact NE-OD1 2.89Å; R1118-D1121 IonicContact NE-OD2 3.77Å; R1118-D1121 PolarHBondContact NE-OD2 3.4Å; R1118-D1121 IonicContact NH2-OD1 3.97Å; R1118-D1121 PolarHBondContact NH2-OD1 2.89Å; R1118-D1121 IonicContact NH2-OD2 3.61Å; R1118-D1121 PolarHBondContact NH2-OD2 3.29Å; R1118-D1121 PolarHBondContact O-N 3.01Å; R1118-V1122 PolarHBondContact O-N 3.18Å; R1118-L1197 VanDerWaalsContact CD-O 3.3Å; R1118-L1197 WeakPolarHBondContact CD-O 3.34Å; R1118-L1197 PolarHBondContact NH1-O 2.94Å; R1118-G1198 VanDerWaalsContact NH1-C 3.32Å; R1118-G1198 PolarHBondContact NH1-O 3.19Å
1119	F	93.4	Very high	92.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-57	-36.4	174.8	177.7	-106.3	0	0	0	111.9	S858 I862 L1024 V1025 R1026 D1121 V1122 V1123 L1160 I1171	S858-F1119 WeakPolarHBondContact O-CD2 3.27Å; S858-F1119 WeakPolarHBondContact O-CG 3.37Å; I862-F1119 HydrophobicContact CD1-CE2 4.36Å; I862-F1119 HydrophobicContact CG2-CD2 4.33Å; I862-F1119 HydrophobicContact CG2-CE2 4.13Å; L1024-F1119 HydrophobicContact CD1-CB 4.33Å; L1024-F1119 HydrophobicContact CD2-CB 4.42Å; L1024-F1119 HydrophobicContact CD2-CD2 4.27Å; L1024-F1119 HydrophobicContact CG-CB 4.38Å; V1025-F1119 PolarHBondContact O-N 2.87Å; R1026-F1119 HydrophobicContact CB-CB 4.29Å; R1026-F1119 HydrophobicContact CG-CB 4.23Å; R1026-F1119 HydrophobicContact CG-CD1 4.25Å; F1119-D1121 VanDerWaalsContact C-N 3.29Å; F1119-D1121 PolarHBondContact O-N 3.44Å; F1119-V1122 PolarHBondContact O-N 2.88Å; F1119-V1123 HydrophobicContact CE1-CG2 4.17Å; F1119-V1123 HydrophobicContact CE2-CG2 4.14Å; F1119-V1123 HydrophobicContact CZ-CG2 3.93Å; F1119-V1123 PolarHBondContact O-N 3.38Å; F1119-V1123 VanDerWaalsContact O-N 3.13Å; F1119-L1160 HydrophobicContact CE2-CD1 4.33Å; F1119-L1160 HydrophobicContact CZ-CD1 4.23Å; F1119-I1171 HydrophobicContact CE1-CG2 3.86Å
1120	E	93.4	Very high	92.6	Very high	20 Å²	20	48.9 Å²	48.9	9%	0.093	24%	0.236	C	C	.	.	H	α-helix	trans	-65.4	-30	177.7	-61.3	73.9	-160.8	0	0	112.8	R1026 D1027 R1118 S1124 I1171 Y1199	R1026-E1120 VanDerWaalsContact CG-OE1 3.27Å; R1026-E1120 WeakPolarHBondContact CG-OE1 3.41Å; D1027-E1120 WeakPolarHBondContact CB-OE1 3.37Å; D1027-E1120 PolarHBondContact N-OE1 3.19Å; R1118-E1120 PolarHBondContact O-N 2.81Å; E1120-S1124 WeakPolarHBondContact O-CB 3.48Å; E1120-S1124 PolarHBondContact O-N 3.09Å; E1120-S1124 PolarHBondContact O-OG 3.35Å; E1120-I1171 HydrophobicContact CB-CD1 4.33Å; E1120-I1171 HydrophobicContact CG-CD1 4.47Å; E1120-Y1199 HydrophobicContact CG-CE1 4.27Å; E1120-Y1199 VanDerWaalsContact OE2-CE1 3.29Å; E1120-Y1199 WeakPolarHBondContact OE2-CE1 3.32Å; E1120-Y1199 PolarHBondContact OE2-OH 3.47Å
1121	D	94.6	Very high	92.7	Very high	36 Å²	36	50.5 Å²	50.5	19%	0.193	24%	0.239	C	C	.	.	H	α-helix	trans	-76.4	-41.8	174.9	-62	-28.3	0	0	0	111	R1118 F1119 V1123 S1124 F1125 T1129	R1118-D1121 HydrophobicContact CB-CB 4.36Å; R1118-D1121 WeakPolarHBondContact CB-OD2 3.14Å; R1118-D1121 IonicContact CZ-OD1 3.79Å; R1118-D1121 IonicContact CZ-OD2 2.71Å; R1118-D1121 IonicContact NE-OD1 2.7Å; R1118-D1121 PolarHBondContact NE-OD1 2.89Å; R1118-D1121 IonicContact NE-OD2 3.77Å; R1118-D1121 PolarHBondContact NE-OD2 3.4Å; R1118-D1121 IonicContact NH2-OD1 3.97Å; R1118-D1121 PolarHBondContact NH2-OD1 2.89Å; R1118-D1121 IonicContact NH2-OD2 3.61Å; R1118-D1121 PolarHBondContact NH2-OD2 3.29Å; R1118-D1121 PolarHBondContact O-N 3.01Å; F1119-D1121 VanDerWaalsContact C-N 3.29Å; F1119-D1121 PolarHBondContact O-N 3.44Å; D1121-V1123 PolarHBondContact O-N 3.4Å; D1121-S1124 PolarHBondContact O-N 3.16Å; D1121-F1125 CarbonylContact O-C 3.56Å; D1121-F1125 VanDerWaalsContact O-C 3.27Å; D1121-F1125 WeakPolarHBondContact O-CA 3.48Å; D1121-F1125 PolarHBondContact O-N 3.27Å; D1121-T1129 VanDerWaalsContact C-OG1 3.3Å; D1121-T1129 PolarHBondContact O-OG1 3.16Å
1122	V	94.3	Very high	93.1	Very high	1 Å²	1	45 Å²	45	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-55.6	-39.7	175.1	-177.3	0	0	0	0	110.9	I862 L863 L1024 V1117 R1118 F1119 P1126 T1129 L1149 T1153	I862-V1122 HydrophobicContact CD1-CG1 4.43Å; I862-V1122 HydrophobicContact CG2-CG1 3.84Å; L863-V1122 HydrophobicContact CD2-CG1 4.21Å; L863-V1122 HydrophobicContact CD2-CG2 4.06Å; L1024-V1122 HydrophobicContact CD1-CG2 4.1Å; V1117-V1122 HydrophobicContact CG1-CG2 3.58Å; R1118-V1122 PolarHBondContact O-N 3.18Å; F1119-V1122 PolarHBondContact O-N 2.88Å; V1122-P1126 WeakPolarHBondContact O-CA 3.43Å; V1122-P1126 WeakPolarHBondContact O-CB 3.37Å; V1122-T1129 HydrophobicContact CB-CG2 4.39Å; V1122-T1129 HydrophobicContact CG2-CG2 3.69Å; V1122-L1149 HydrophobicContact CG1-CD1 3.98Å; V1122-L1149 HydrophobicContact CG1-CD2 4.41Å; V1122-T1153 HydrophobicContact CG1-CG2 4.31Å; V1122-T1153 VanDerWaalsContact O-CG2 3.29Å; V1122-T1153 WeakPolarHBondContact O-CG2 3.42Å
1123	V	91.7	Very high	93.6	Very high	2 Å²	2	41 Å²	41	1%	0.012	20%	0.198	C	C	.	.	H	α-helix	trans	-81.2	-39.4	-179.8	177.7	0	0	0	0	112.9	I862 F1119 D1121 T1153 I1166 P1168 I1171	I862-V1123 HydrophobicContact CD1-CG2 4.11Å; F1119-V1123 HydrophobicContact CE1-CG2 4.17Å; F1119-V1123 HydrophobicContact CE2-CG2 4.14Å; F1119-V1123 HydrophobicContact CZ-CG2 3.93Å; F1119-V1123 PolarHBondContact O-N 3.38Å; F1119-V1123 VanDerWaalsContact O-N 3.13Å; D1121-V1123 PolarHBondContact O-N 3.4Å; V1123-T1153 HydrophobicContact CG2-CG2 4.48Å; V1123-I1166 HydrophobicContact CB-CG2 4.44Å; V1123-I1166 HydrophobicContact CG1-CG2 3.86Å; V1123-I1166 HydrophobicContact CG2-CG2 3.63Å; V1123-P1168 HydrophobicContact CG1-CG 4.19Å; V1123-I1171 HydrophobicContact CB-CD1 4.19Å; V1123-I1171 HydrophobicContact CB-CG2 4.19Å; V1123-I1171 HydrophobicContact CG1-CD1 4.08Å; V1123-I1171 HydrophobicContact CG1-CG2 3.86Å; V1123-I1171 HydrophobicContact CG2-CG2 4.15Å
1124	S	91	Very high	93.7	Very high	45 Å²	45	41.3 Å²	41.3	32%	0.315	20%	0.199	S	C	.	.	H	α-helix	trans	-85.2	-31.6	-174.8	-50.4	0	0	0	0	113.8	E1120 D1121	E1120-S1124 WeakPolarHBondContact O-CB 3.48Å; E1120-S1124 PolarHBondContact O-N 3.09Å; E1120-S1124 PolarHBondContact O-OG 3.35Å; D1121-S1124 PolarHBondContact O-N 3.16Å
1125	F	92.6	Very high	93.5	Very high	108 Å²	108	43.9 Å²	43.9	47%	0.474	22%	0.218	S	C	.	.	S	Bend	trans	-135.3	59.9	-174.5	-51.5	-74.2	0	0	0	110	D1121 Q1127 E1128 T1129	D1121-F1125 CarbonylContact O-C 3.56Å; D1121-F1125 VanDerWaalsContact O-C 3.27Å; D1121-F1125 WeakPolarHBondContact O-CA 3.48Å; D1121-F1125 PolarHBondContact O-N 3.27Å; F1125-Q1127 VanDerWaalsContact C-N 3.33Å; F1125-Q1127 PolarHBondContact O-N 3.19Å; F1125-E1128 HydrophobicContact CB-CB 4.34Å; F1125-E1128 PolarHBondContact O-N 2.86Å; F1125-T1129 WeakPolarHBondContact O-CB 3.21Å; F1125-T1129 PolarHBondContact O-N 2.89Å; F1125-T1129 PolarHBondContact O-OG1 3.45Å
1126	P	92.4	Very high	93.4	Very high	19 Å²	19	44.1 Å²	44.1	12%	0.123	22%	0.218	C	C	.	.	H	α-helix	trans	-58.9	-40.7	-171.6	22	-33.8	0	0	0	113.1	V1122 A1130 L1149 T1150 T1153	V1122-P1126 WeakPolarHBondContact O-CA 3.43Å; V1122-P1126 WeakPolarHBondContact O-CB 3.37Å; P1126-A1130 WeakPolarHBondContact O-CB 3.38Å; P1126-A1130 PolarHBondContact O-N 3.43Å; P1126-L1149 HydrophobicContact CB-CD2 4.1Å; P1126-L1149 HydrophobicContact CB-CG 4.14Å; P1126-T1150 HydrophobicContact CG-CG2 4.23Å; P1126-T1153 HydrophobicContact CB-CG2 4.33Å; P1126-T1153 WeakPolarHBondContact CB-OG1 3.34Å
1127	Q	91.3	Very high	93.3	Very high	92 Å²	92	39.4 Å²	39.4	43%	0.43	20%	0.2	S	C	.	.	H	α-helix	trans	-64.7	-57.1	179.1	-178	174.3	-11.6	0	0	112	F1125 T1129 A1130 E1131 L1146	F1125-Q1127 VanDerWaalsContact C-N 3.33Å; F1125-Q1127 PolarHBondContact O-N 3.19Å; Q1127-T1129 PolarHBondContact O-N 3.23Å; Q1127-A1130 PolarHBondContact O-N 2.94Å; Q1127-A1130 VanDerWaalsContact O-N 3.11Å; Q1127-E1131 HydrophobicContact CG-CG 4.36Å; Q1127-E1131 WeakPolarHBondContact CG-OE1 3.43Å; Q1127-E1131 PolarHBondContact NE2-OE1 3.09Å; Q1127-E1131 WeakPolarHBondContact O-CB 3.33Å; Q1127-E1131 WeakPolarHBondContact O-CG 3.36Å; Q1127-E1131 PolarHBondContact O-N 3.37Å; Q1127-L1146 HydrophobicContact CB-CD1 3.8Å; Q1127-L1146 HydrophobicContact CG-CD1 3.91Å; Q1127-L1146 HydrophobicContact CG-CD2 4.19Å
1128	E	93.2	Very high	93	Very high	126 Å²	126	39.8 Å²	39.8	59%	0.589	21%	0.206	S	C	*	.	H	α-helix	trans	-58.1	-38.4	-178.6	-60.2	177.8	-171.9	0	0	111.5	F1125 T1132	F1125-E1128 HydrophobicContact CB-CB 4.34Å; F1125-E1128 PolarHBondContact O-N 2.86Å; E1128-T1132 WeakPolarHBondContact O-CB 3.5Å; E1128-T1132 PolarHBondContact O-N 3.01Å; E1128-T1132 PolarHBondContact O-OG1 2.96Å
1129	T	95.1	Very high	92.8	Very high	13 Å²	13	36.9 Å²	36.9	8%	0.08	20%	0.195	C	C	.	.	H	α-helix	trans	-69.5	-41.3	177.7	-52.8	0	0	0	0	111.9	V1117 D1121 V1122 F1125 Q1127 T1132 I1133	V1117-T1129 HydrophobicContact CG1-CG2 3.61Å; D1121-T1129 VanDerWaalsContact C-OG1 3.3Å; D1121-T1129 PolarHBondContact O-OG1 3.16Å; V1122-T1129 HydrophobicContact CB-CG2 4.39Å; V1122-T1129 HydrophobicContact CG2-CG2 3.69Å; F1125-T1129 WeakPolarHBondContact O-CB 3.21Å; F1125-T1129 PolarHBondContact O-N 2.89Å; F1125-T1129 PolarHBondContact O-OG1 3.45Å; Q1127-T1129 PolarHBondContact O-N 3.23Å; T1129-T1132 PolarHBondContact O-N 2.95Å; T1129-I1133 HydrophobicContact CG2-CD1 4.15Å; T1129-I1133 VanDerWaalsContact O-CG1 3.3Å; T1129-I1133 WeakPolarHBondContact O-CG1 3.36Å; T1129-I1133 PolarHBondContact O-N 3.19Å
1130	A	94.1	Very high	92.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-68.8	-41.6	176.9	0	0	0	0	0	112.4	L866 P1126 Q1127 T1132 I1133 H1134 M1141 L1149	L866-A1130 HydrophobicContact CD1-CB 4.41Å; L866-A1130 HydrophobicContact CD2-CB 3.74Å; P1126-A1130 WeakPolarHBondContact O-CB 3.38Å; P1126-A1130 PolarHBondContact O-N 3.43Å; Q1127-A1130 PolarHBondContact O-N 2.94Å; Q1127-A1130 VanDerWaalsContact O-N 3.11Å; A1130-T1132 VanDerWaalsContact C-N 3.3Å; A1130-T1132 PolarHBondContact O-N 2.95Å; A1130-I1133 PolarHBondContact O-N 3.26Å; A1130-H1134 WeakPolarHBondContact O-CB 3.41Å; A1130-H1134 PolarHBondContact O-CD2 3.06Å; A1130-H1134 PolarHBondContact O-N 2.95Å; A1130-M1141 HydrophobicContact CB-SD 3.45Å; A1130-M1141 WeakPolarHBondContact CB-SD 3.24Å; A1130-L1149 HydrophobicContact CB-CD2 3.93Å
1131	E	92.3	Very high	92.6	Very high	81 Å²	81	37.9 Å²	37.9	38%	0.379	20%	0.202	S	C	.	.	H	α-helix	trans	-59.8	-41.6	172.4	-71.9	175.8	-171.6	0	0	111	Q1127 T1135 M1141	Q1127-E1131 HydrophobicContact CG-CG 4.36Å; Q1127-E1131 WeakPolarHBondContact CG-OE1 3.43Å; Q1127-E1131 PolarHBondContact NE2-OE1 3.09Å; Q1127-E1131 WeakPolarHBondContact O-CB 3.33Å; Q1127-E1131 WeakPolarHBondContact O-CG 3.36Å; Q1127-E1131 PolarHBondContact O-N 3.37Å; E1131-T1135 VanDerWaalsContact O-CB 3.28Å; E1131-T1135 WeakPolarHBondContact O-CB 3.45Å; E1131-T1135 PolarHBondContact O-N 3.4Å; E1131-T1135 PolarHBondContact O-OG1 2.96Å; E1131-M1141 HydrophobicContact CG-CE 3.6Å
1132	T	94.1	Very high	92.4	Very high	77 Å²	77	37.6 Å²	37.6	47%	0.472	20%	0.202	S	C	.	.	H	α-helix	trans	-62	-46.9	175.1	-60.8	0	0	0	0	111.8	L1115 E1128 T1129 A1130 T1135 F1136	L1115-T1132 HydrophobicContact CD1-CG2 4.35Å; L1115-T1132 HydrophobicContact CD2-CG2 4.49Å; E1128-T1132 WeakPolarHBondContact O-CB 3.5Å; E1128-T1132 PolarHBondContact O-N 3.01Å; E1128-T1132 PolarHBondContact O-OG1 2.96Å; T1129-T1132 PolarHBondContact O-N 2.95Å; A1130-T1132 VanDerWaalsContact C-N 3.3Å; A1130-T1132 PolarHBondContact O-N 2.95Å; T1132-T1135 PolarHBondContact O-N 3.16Å; T1132-F1136 PolarHBondContact O-N 3.01Å; T1132-F1136 VanDerWaalsContact O-N 3.11Å
1133	I	95.3	Very high	92.3	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-61.5	-52.3	177.6	-70.2	164.2	0	0	0	110.7	L863 L866 F867 L1115 V1117 T1129 A1130 T1135 F1136 L1137	L863-I1133 HydrophobicContact CD2-CD1 3.99Å; L866-I1133 HydrophobicContact CD1-CB 4.41Å; L866-I1133 HydrophobicContact CD1-CD1 3.87Å; L866-I1133 HydrophobicContact CD1-CG2 4.14Å; F867-I1133 HydrophobicContact CZ-CG2 4.21Å; L1115-I1133 HydrophobicContact CD2-CB 4.44Å; L1115-I1133 HydrophobicContact CD2-CG1 3.88Å; V1117-I1133 HydrophobicContact CG2-CD1 4.21Å; V1117-I1133 HydrophobicContact CG2-CG1 4.02Å; T1129-I1133 HydrophobicContact CG2-CD1 4.15Å; T1129-I1133 VanDerWaalsContact O-CG1 3.3Å; T1129-I1133 WeakPolarHBondContact O-CG1 3.36Å; T1129-I1133 PolarHBondContact O-N 3.19Å; A1130-I1133 PolarHBondContact O-N 3.26Å; I1133-T1135 VanDerWaalsContact C-N 3.31Å; I1133-T1135 PolarHBondContact O-N 3.48Å; I1133-F1136 WeakPolarHBondContact O-CB 3.32Å; I1133-F1136 PolarHBondContact O-N 3.23Å; I1133-L1137 HydrophobicContact CG2-CD1 4.02Å; I1133-L1137 HydrophobicContact CG2-CG 4.33Å; I1133-L1137 WeakPolarHBondContact O-CG 3.31Å; I1133-L1137 PolarHBondContact O-N 2.99Å
1134	H	93.1	Very high	92.4	Very high	6 Å²	6	39 Å²	39	3%	0.028	21%	0.214	C	C	.	.	H	α-helix	trans	-63.5	-34.8	-178.6	-87.2	-84.8	0	0	0	113.1	A1130 L1137 G1138 V1139 M1141	A1130-H1134 WeakPolarHBondContact O-CB 3.41Å; A1130-H1134 PolarHBondContact O-CD2 3.06Å; A1130-H1134 PolarHBondContact O-N 2.95Å; H1134-L1137 PolarHBondContact O-N 3.46Å; H1134-G1138 PolarHBondContact O-N 3.41Å; H1134-G1138 VanDerWaalsContact O-N 3.16Å; H1134-V1139 WeakPolarHBondContact CB-O 3.12Å; H1134-V1139 PolarHBondContact ND1-O 2.64Å; H1134-V1139 PolarHBondContact O-N 2.73Å; H1134-M1141 HydrophobicContact CB-CB 3.97Å
1135	T	91.1	Very high	92.4	Very high	89 Å²	89	37.3 Å²	37.3	55%	0.546	20%	0.203	S	C	.	.	H	α-helix	trans	-60.6	-48.6	172.2	-58.3	0	0	0	0	111.4	E1131 T1132 I1133 L1137 G1138	E1131-T1135 VanDerWaalsContact O-CB 3.28Å; E1131-T1135 WeakPolarHBondContact O-CB 3.45Å; E1131-T1135 PolarHBondContact O-N 3.4Å; E1131-T1135 PolarHBondContact O-OG1 2.96Å; T1132-T1135 PolarHBondContact O-N 3.16Å; I1133-T1135 VanDerWaalsContact C-N 3.31Å; I1133-T1135 PolarHBondContact O-N 3.48Å; T1135-L1137 VanDerWaalsContact C-N 3.31Å; T1135-L1137 PolarHBondContact O-N 3.26Å; T1135-G1138 PolarHBondContact O-N 2.79Å; T1135-G1138 VanDerWaalsContact O-N 3.17Å
1136	F	92.9	Very high	92.4	Very high	36 Å²	36	32.5 Å²	32.5	16%	0.158	18%	0.182	C	C	.	.	H	α-helix	trans	-61.6	-35.9	176	162.8	-106	0	0	0	113.1	R1020 V1022 D1112 L1115 T1132 I1133 G1138	R1020-F1136 HydrophobicContact CB-CE1 3.75Å; R1020-F1136 HydrophobicContact CB-CZ 3.96Å; R1020-F1136 HydrophobicContact CG-CE1 4.36Å; R1020-F1136 HydrophobicContact CG-CZ 4.38Å; R1020-F1136 PolarHBondContact NE-O 3.31Å; V1022-F1136 HydrophobicContact CG2-CD1 4.42Å; V1022-F1136 HydrophobicContact CG2-CE1 3.96Å; D1112-F1136 VanDerWaalsContact O-CE2 3.25Å; D1112-F1136 WeakPolarHBondContact O-CE2 3.2Å; L1115-F1136 HydrophobicContact CB-CD1 3.57Å; L1115-F1136 HydrophobicContact CB-CD2 3.91Å; L1115-F1136 HydrophobicContact CB-CE1 3.52Å; L1115-F1136 HydrophobicContact CB-CE2 3.87Å; L1115-F1136 HydrophobicContact CB-CG 3.76Å; L1115-F1136 HydrophobicContact CB-CZ 3.68Å; L1115-F1136 HydrophobicContact CD2-CB 3.95Å; L1115-F1136 HydrophobicContact CD2-CD1 3.78Å; L1115-F1136 HydrophobicContact CD2-CE1 4.48Å; L1115-F1136 HydrophobicContact CD2-CG 3.95Å; L1115-F1136 HydrophobicContact CG-CD1 4.28Å; L1115-F1136 HydrophobicContact CG-CG 4.33Å; T1132-F1136 PolarHBondContact O-N 3.01Å; T1132-F1136 VanDerWaalsContact O-N 3.11Å; I1133-F1136 WeakPolarHBondContact O-CB 3.32Å; I1133-F1136 PolarHBondContact O-N 3.23Å; F1136-G1138 VanDerWaalsContact C-N 3.29Å; F1136-G1138 PolarHBondContact O-N 3.03Å
1137	L	92.6	Very high	92.4	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	18%	0.177	C	C	.	.	H	α-helix	trans	-73.5	-15.4	176.8	-66.7	-175	0	0	0	114.1	P848 V850 F867 F873 R1020 I1133 H1134 T1135 V1139	P848-L1137 HydrophobicContact CB-CB 4.44Å; P848-L1137 HydrophobicContact CB-CD2 4.13Å; P848-L1137 HydrophobicContact CG-CB 4.26Å; P848-L1137 VanDerWaalsContact CG-O 3.28Å; P848-L1137 WeakPolarHBondContact CG-O 3.41Å; V850-L1137 HydrophobicContact CG1-CD2 4.18Å; V850-L1137 HydrophobicContact CG2-CD1 4.12Å; V850-L1137 HydrophobicContact CG2-CD2 3.61Å; F867-L1137 HydrophobicContact CE1-CD1 3.53Å; F867-L1137 HydrophobicContact CZ-CD1 3.85Å; F873-L1137 HydrophobicContact CE1-CD1 4.49Å; F873-L1137 HydrophobicContact CZ-CD1 4.12Å; R1020-L1137 HydrophobicContact CB-CD2 3.54Å; R1020-L1137 HydrophobicContact CG-CD2 3.95Å; I1133-L1137 HydrophobicContact CG2-CD1 4.02Å; I1133-L1137 HydrophobicContact CG2-CG 4.33Å; I1133-L1137 WeakPolarHBondContact O-CG 3.31Å; I1133-L1137 PolarHBondContact O-N 2.99Å; H1134-L1137 PolarHBondContact O-N 3.46Å; T1135-L1137 VanDerWaalsContact C-N 3.31Å; T1135-L1137 PolarHBondContact O-N 3.26Å; L1137-V1139 VanDerWaalsContact C-N 3.25Å; L1137-V1139 PolarHBondContact O-N 3.18Å
1138	G	89.1	Confident	92.4	Very high	17 Å²	17	30.3 Å²	30.3	18%	0.175	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	13.1	-176.4	0	0	0	0	0	114.6	H1134 T1135 F1136	H1134-G1138 PolarHBondContact O-N 3.41Å; H1134-G1138 VanDerWaalsContact O-N 3.16Å; T1135-G1138 PolarHBondContact O-N 2.79Å; T1135-G1138 VanDerWaalsContact O-N 3.17Å; F1136-G1138 VanDerWaalsContact C-N 3.29Å; F1136-G1138 PolarHBondContact O-N 3.03Å
1139	V	91.8	Very high	92.4	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	14%	0.143	C	C	.	.	S	Bend	trans	-129.4	118.4	-173.4	-179.2	0	0	0	0	109.4	I716 P848 D872 F873 H1134 L1137	I716-V1139 HydrophobicContact CD1-CG1 4.07Å; I716-V1139 HydrophobicContact CD1-CG2 3.91Å; P848-V1139 HydrophobicContact CG-CG2 3.79Å; D872-V1139 HydrophobicContact CB-CG1 4.45Å; D872-V1139 WeakPolarHBondContact OD2-CG1 3.42Å; F873-V1139 HydrophobicContact CE2-CB 4.5Å; F873-V1139 HydrophobicContact CE2-CG1 4.06Å; F873-V1139 HydrophobicContact CZ-CB 4.1Å; F873-V1139 HydrophobicContact CZ-CG1 4.09Å; F873-V1139 HydrophobicContact CZ-CG2 4.24Å; H1134-V1139 WeakPolarHBondContact CB-O 3.12Å; H1134-V1139 PolarHBondContact ND1-O 2.64Å; H1134-V1139 PolarHBondContact O-N 2.73Å; L1137-V1139 VanDerWaalsContact C-N 3.25Å; L1137-V1139 PolarHBondContact O-N 3.18Å
1140	P	91.1	Very high	92.2	Very high	15 Å²	15	25 Å²	25	10%	0.097	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-56.3	142.6	-177	-24.9	33.9	0	0	0	113.6	V534	V534-P1140 HydrophobicContact CG2-CB 4.02Å
1141	M	90.4	Very high	92	Very high	27 Å²	27	27.1 Å²	27.1	13%	0.133	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-70.2	141.6	174	-174.3	173.4	60.4	0	0	111.1	A1130 E1131 H1134 L1146	A1130-M1141 HydrophobicContact CB-SD 3.45Å; A1130-M1141 WeakPolarHBondContact CB-SD 3.24Å; E1131-M1141 HydrophobicContact CG-CE 3.6Å; H1134-M1141 HydrophobicContact CB-CB 3.97Å; M1141-L1146 HydrophobicContact CE-CB 3.98Å; M1141-L1146 HydrophobicContact CE-CD1 4.08Å; M1141-L1146 HydrophobicContact CE-CD2 3.87Å; M1141-L1146 HydrophobicContact CE-CG 4.19Å; M1141-L1146 HydrophobicContact SD-CB 3.91Å; M1141-L1146 HydrophobicContact SD-CD1 4.21Å
1142	S	91	Very high	91.8	Very high	29 Å²	29	23.4 Å²	23.4	20%	0.203	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-89.9	143	170.3	69.9	0	0	0	0	111.2	A1144 A1145 L1146	S1142-A1144 PolarHBondContact O-N 2.59Å; S1142-A1145 PolarHBondContact O-N 2.68Å; S1142-A1145 VanDerWaalsContact O-N 3.15Å; S1142-A1145 WeakPolarHBondContact OG-CB 3.21Å; S1142-A1145 PolarHBondContact OG-N 3.33Å; S1142-L1146 PolarHBondContact O-N 3.42Å
1143	P	92.8	Very high	91.5	Very high	6 Å²	6	19.7 Å²	19.7	4%	0.039	12%	0.116	C	C	.	.	H	α-helix	trans	-55.2	-34	175	-29.7	37.3	0	0	0	114	I403 S405 V532 L1146 N1147	I403-P1143 HydrophobicContact CG2-CB 3.91Å; I403-P1143 HydrophobicContact CG2-CG 4.16Å; S405-P1143 WeakPolarHBondContact CB-O 3.22Å; V532-P1143 HydrophobicContact CB-CG 4.2Å; V532-P1143 HydrophobicContact CG1-CG 3.98Å; V532-P1143 WeakPolarHBondContact O-CD 3.44Å; P1143-L1146 PolarHBondContact O-N 2.94Å; P1143-N1147 PolarHBondContact O-N 2.86Å
1144	A	92.1	Very high	90.9	Very high	28 Å²	28	20.7 Å²	20.7	23%	0.231	12%	0.123	C	C	.	.	H	α-helix	trans	-65.3	-41.3	177.3	0	0	0	0	0	112.9	S1142 N1147 Q1148	S1142-A1144 PolarHBondContact O-N 2.59Å; A1144-N1147 PolarHBondContact O-N 3.05Å; A1144-Q1148 WeakPolarHBondContact O-CG 3.49Å; A1144-Q1148 PolarHBondContact O-N 3.02Å; A1144-Q1148 VanDerWaalsContact O-N 3.07Å
1145	A	92.3	Very high	90.1	Very high	8 Å²	8	20.4 Å²	20.4	7%	0.066	12%	0.121	C	C	.	.	H	α-helix	trans	-66.3	-41.2	176.1	0	0	0	0	0	111.8	S1142 N1147 Q1148 L1149	S1142-A1145 PolarHBondContact O-N 2.68Å; S1142-A1145 VanDerWaalsContact O-N 3.15Å; S1142-A1145 WeakPolarHBondContact OG-CB 3.21Å; S1142-A1145 PolarHBondContact OG-N 3.33Å; A1145-N1147 PolarHBondContact O-N 3.49Å; A1145-Q1148 PolarHBondContact O-N 3.23Å; A1145-L1149 PolarHBondContact O-N 3.21Å
1146	L	92.1	Very high	89.4	Confident	7 Å²	7	20 Å²	20	4%	0.037	12%	0.116	C	C	.	.	H	α-helix	trans	-59.8	-44.5	173.4	176.5	60.1	0	0	0	111.7	Q1127 M1141 S1142 P1143 T1150	Q1127-L1146 HydrophobicContact CB-CD1 3.8Å; Q1127-L1146 HydrophobicContact CG-CD1 3.91Å; Q1127-L1146 HydrophobicContact CG-CD2 4.19Å; M1141-L1146 HydrophobicContact CE-CB 3.98Å; M1141-L1146 HydrophobicContact CE-CD1 4.08Å; M1141-L1146 HydrophobicContact CE-CD2 3.87Å; M1141-L1146 HydrophobicContact CE-CG 4.19Å; M1141-L1146 HydrophobicContact SD-CB 3.91Å; M1141-L1146 HydrophobicContact SD-CD1 4.21Å; S1142-L1146 PolarHBondContact O-N 3.42Å; P1143-L1146 PolarHBondContact O-N 2.94Å; L1146-T1150 WeakPolarHBondContact O-CB 3.47Å; L1146-T1150 PolarHBondContact O-N 3.37Å; L1146-T1150 PolarHBondContact O-OG1 3.12Å
1147	N	93.1	Very high	88.6	Confident	6 Å²	6	21.2 Å²	21.2	3%	0.032	12%	0.124	C	C	.	.	H	α-helix	trans	-60.3	-49.5	178.2	-169.2	-97.2	0	0	0	111.5	S405 N406 R435 P1143 A1144 A1145 L1149 T1150 F1151	S405-N1147 WeakPolarHBondContact OG-CB 3.37Å; S405-N1147 PolarHBondContact OG-ND2 3.43Å; N406-N1147 PolarHBondContact N-ND2 3.5Å; R435-N1147 WeakPolarHBondContact CD-OD1 3.38Å; P1143-N1147 PolarHBondContact O-N 2.86Å; A1144-N1147 PolarHBondContact O-N 3.05Å; A1145-N1147 PolarHBondContact O-N 3.49Å; N1147-L1149 PolarHBondContact O-N 3.17Å; N1147-T1150 PolarHBondContact O-N 3.4Å; N1147-F1151 WeakPolarHBondContact O-CB 3Å; N1147-F1151 PolarHBondContact O-N 2.89Å
1148	Q	91.1	Very high	88	Confident	60 Å²	60	23.2 Å²	23.2	28%	0.28	13%	0.131	S	C	.	.	H	α-helix	trans	-65.3	-39.1	-178.3	-74.3	-72.7	-21.8	0	0	112.6	Y865 A1144 A1145 T1152	Y865-Q1148 HydrophobicContact CD1-CB 4.13Å; A1144-Q1148 WeakPolarHBondContact O-CG 3.49Å; A1144-Q1148 PolarHBondContact O-N 3.02Å; A1144-Q1148 VanDerWaalsContact O-N 3.07Å; A1145-Q1148 PolarHBondContact O-N 3.23Å; Q1148-T1152 WeakPolarHBondContact O-CB 3.2Å; Q1148-T1152 WeakPolarHBondContact O-CG2 3.36Å; Q1148-T1152 PolarHBondContact O-N 3.49Å; Q1148-T1152 VanDerWaalsContact O-N 3.07Å; Q1148-T1152 PolarHBondContact O-OG1 2.98Å
1149	L	92.3	Very high	87.4	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-64.1	-47	171.1	-176.7	66.8	0	0	0	111.1	I862 L866 V1122 P1126 A1130 A1145 N1147 F1151 T1152 T1153	I862-L1149 HydrophobicContact CG1-CD1 4.28Å; L866-L1149 HydrophobicContact CD2-CB 4.39Å; L866-L1149 HydrophobicContact CD2-CD2 4.02Å; L866-L1149 HydrophobicContact CG-CD2 4.46Å; V1122-L1149 HydrophobicContact CG1-CD1 3.98Å; V1122-L1149 HydrophobicContact CG1-CD2 4.41Å; P1126-L1149 HydrophobicContact CB-CD2 4.1Å; P1126-L1149 HydrophobicContact CB-CG 4.14Å; A1130-L1149 HydrophobicContact CB-CD2 3.93Å; A1145-L1149 PolarHBondContact O-N 3.21Å; N1147-L1149 PolarHBondContact O-N 3.17Å; L1149-F1151 VanDerWaalsContact C-N 3.34Å; L1149-F1151 PolarHBondContact O-N 3.06Å; L1149-T1152 PolarHBondContact O-N 3.23Å; L1149-T1152 PolarHBondContact O-OG1 3.21Å; L1149-T1152 VanDerWaalsContact O-OG1 3.12Å; L1149-T1153 HydrophobicContact CD1-CG2 3.82Å; L1149-T1153 HydrophobicContact CG-CG2 4.1Å; L1149-T1153 WeakPolarHBondContact O-CB 3.45Å; L1149-T1153 VanDerWaalsContact O-CG2 3.3Å; L1149-T1153 WeakPolarHBondContact O-CG2 3.49Å; L1149-T1153 PolarHBondContact O-N 2.89Å; L1149-T1153 PolarHBondContact O-OG1 3.39Å
1150	T	91.2	Very high	86.7	Confident	27 Å²	27	26.9 Å²	26.9	17%	0.166	15%	0.147	C	C	.	.	H	α-helix	trans	-64.2	-38.6	-177.9	-52.4	0	0	0	0	111.8	V261 P1126 L1146 N1147 T1153 S1154	V261-T1150 HydrophobicContact CB-CG2 3.94Å; V261-T1150 HydrophobicContact CG2-CG2 3.94Å; P1126-T1150 HydrophobicContact CG-CG2 4.23Å; L1146-T1150 WeakPolarHBondContact O-CB 3.47Å; L1146-T1150 PolarHBondContact O-N 3.37Å; L1146-T1150 PolarHBondContact O-OG1 3.12Å; N1147-T1150 PolarHBondContact O-N 3.4Å; T1150-T1153 PolarHBondContact O-OG1 3.41Å; T1150-S1154 VanDerWaalsContact O-CB 3.25Å; T1150-S1154 WeakPolarHBondContact O-CB 3.23Å; T1150-S1154 PolarHBondContact O-N 3.29Å; T1150-S1154 PolarHBondContact O-OG 3.07Å
1151	F	90.6	Very high	85.6	Confident	44 Å²	44	33.1 Å²	33.1	19%	0.193	18%	0.177	C	C	.	.	H	α-helix	trans	-60.2	-49.7	171.5	176.5	-103.9	0	0	0	111.7	H259 V261 N1147 L1149 T1153 T1155 L1157	H259-F1151 HydrophobicContact CB-CD2 4.46Å; H259-F1151 HydrophobicContact CB-CE2 4Å; H259-F1151 AromaticContact CD2-CE2 3.51Å; H259-F1151 AromaticContact CD2-CZ 3.82Å; H259-F1151 AromaticContact CG-CE2 3.85Å; V261-F1151 HydrophobicContact CG1-CB 4.44Å; V261-F1151 HydrophobicContact CG1-CD2 4.49Å; N1147-F1151 WeakPolarHBondContact O-CB 3Å; N1147-F1151 PolarHBondContact O-N 2.89Å; L1149-F1151 VanDerWaalsContact C-N 3.34Å; L1149-F1151 PolarHBondContact O-N 3.06Å; F1151-T1153 VanDerWaalsContact C-N 3.32Å; F1151-T1153 PolarHBondContact O-N 3.01Å; F1151-T1155 HydrophobicContact CD2-CG2 3.65Å; F1151-T1155 HydrophobicContact CE2-CG2 3.81Å; F1151-T1155 HydrophobicContact CG-CG2 4.47Å; F1151-T1155 WeakPolarHBondContact O-CB 3.4Å; F1151-T1155 WeakPolarHBondContact O-CG2 3.38Å; F1151-T1155 PolarHBondContact O-N 2.89Å; F1151-T1155 VanDerWaalsContact O-N 3.11Å; F1151-T1155 PolarHBondContact O-OG1 3.05Å; F1151-L1157 HydrophobicContact CE2-CD1 4.12Å; F1151-L1157 HydrophobicContact CZ-CB 4.21Å; F1151-L1157 HydrophobicContact CZ-CD1 4.21Å
1152	T	88.1	Confident	84.6	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.012	19%	0.186	C	C	.	.	H	α-helix	trans	-75.5	-14	-176.4	54	0	0	0	0	114.9	Y865 Q1148 L1149 Y1158	Y865-T1152 HydrophobicContact CD1-CG2 4.19Å; Y865-T1152 HydrophobicContact CD2-CG2 4.04Å; Y865-T1152 HydrophobicContact CE1-CG2 3.94Å; Y865-T1152 HydrophobicContact CE2-CG2 3.82Å; Y865-T1152 HydrophobicContact CG-CG2 4.25Å; Q1148-T1152 WeakPolarHBondContact O-CB 3.2Å; Q1148-T1152 WeakPolarHBondContact O-CG2 3.36Å; Q1148-T1152 PolarHBondContact O-N 3.49Å; Q1148-T1152 VanDerWaalsContact O-N 3.07Å; Q1148-T1152 PolarHBondContact O-OG1 2.98Å; L1149-T1152 PolarHBondContact O-N 3.23Å; L1149-T1152 PolarHBondContact O-OG1 3.21Å; L1149-T1152 VanDerWaalsContact O-OG1 3.12Å; T1152-Y1158 HydrophobicContact CG2-CD1 4.07Å; T1152-Y1158 HydrophobicContact CG2-CD2 3.98Å; T1152-Y1158 HydrophobicContact CG2-CG 3.68Å; T1152-Y1158 WeakPolarHBondContact O-CD1 3.19Å
1153	T	87.8	Confident	83.7	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-99.9	-32.1	174.6	58.3	0	0	0	0	114.1	I862 V1122 V1123 P1126 L1149 T1150 F1151 S1167	I862-T1153 HydrophobicContact CD1-CG2 3.53Å; I862-T1153 HydrophobicContact CG1-CG2 4.34Å; V1122-T1153 HydrophobicContact CG1-CG2 4.31Å; V1122-T1153 VanDerWaalsContact O-CG2 3.29Å; V1122-T1153 WeakPolarHBondContact O-CG2 3.42Å; V1123-T1153 HydrophobicContact CG2-CG2 4.48Å; P1126-T1153 HydrophobicContact CB-CG2 4.33Å; P1126-T1153 WeakPolarHBondContact CB-OG1 3.34Å; L1149-T1153 HydrophobicContact CD1-CG2 3.82Å; L1149-T1153 HydrophobicContact CG-CG2 4.1Å; L1149-T1153 WeakPolarHBondContact O-CB 3.45Å; L1149-T1153 VanDerWaalsContact O-CG2 3.3Å; L1149-T1153 WeakPolarHBondContact O-CG2 3.49Å; L1149-T1153 PolarHBondContact O-N 2.89Å; L1149-T1153 PolarHBondContact O-OG1 3.39Å; T1150-T1153 PolarHBondContact O-OG1 3.41Å; F1151-T1153 VanDerWaalsContact C-N 3.32Å; F1151-T1153 PolarHBondContact O-N 3.01Å; T1153-S1167 WeakPolarHBondContact O-CA 3.44Å
1154	S	81.6	Confident	82.9	Confident	22 Å²	22	37 Å²	37	15%	0.154	20%	0.195	C	C	.	.	H	α-helix	trans	-96.1	-23.7	-175.6	69.3	0	0	0	0	114.1	V261 N298 T1150	V261-S1154 WeakPolarHBondContact CG1-OG 3.27Å; N298-S1154 VanDerWaalsContact ND2-C 3.29Å; N298-S1154 PolarHBondContact ND2-O 3.44Å; N298-S1154 PolarHBondContact ND2-OG 3.3Å; T1150-S1154 VanDerWaalsContact O-CB 3.25Å; T1150-S1154 WeakPolarHBondContact O-CB 3.23Å; T1150-S1154 PolarHBondContact O-N 3.29Å; T1150-S1154 PolarHBondContact O-OG 3.07Å
1155	T	77.1	Confident	82.2	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.202	C	C	.	.			trans	-96.6	134.4	-179.6	72.6	0	0	0	0	111.8	N258 V261 F1151 L1157 I1166	N258-T1155 VanDerWaalsContact O-CG2 3.24Å; N258-T1155 WeakPolarHBondContact O-CG2 3.44Å; V261-T1155 HydrophobicContact CG1-CG2 4.16Å; F1151-T1155 HydrophobicContact CD2-CG2 3.65Å; F1151-T1155 HydrophobicContact CE2-CG2 3.81Å; F1151-T1155 HydrophobicContact CG-CG2 4.47Å; F1151-T1155 WeakPolarHBondContact O-CB 3.4Å; F1151-T1155 WeakPolarHBondContact O-CG2 3.38Å; F1151-T1155 PolarHBondContact O-N 2.89Å; F1151-T1155 VanDerWaalsContact O-N 3.11Å; F1151-T1155 PolarHBondContact O-OG1 3.05Å; T1155-L1157 PolarHBondContact O-N 3Å; T1155-I1166 VanDerWaalsContact O-O 3.13Å
1156	N	75.7	Confident	81.7	Confident	82 Å²	82	38.7 Å²	38.7	44%	0.439	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	33.9	166.7	-57.2	-54.9	0	0	0	112	D1165 S1167 N1170	N1156-D1165 HydrophobicContact CB-CB 4.07Å; N1156-S1167 WeakPolarHBondContact OD1-CB 3.31Å; N1156-S1167 PolarHBondContact OD1-OG 2.72Å; N1156-N1170 PolarHBondContact OD1-ND2 2.91Å
1157	L	77.4	Confident	81.1	Confident	60 Å²	60	38.7 Å²	38.7	31%	0.314	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-9.4	180	-54.6	174.8	0	0	0	111.5	F255 H259 F1151 T1155	F255-L1157 HydrophobicContact CE2-CD2 3.65Å; F255-L1157 HydrophobicContact CZ-CD2 4.06Å; H259-L1157 WeakPolarHBondContact CE1-CD1 3.28Å; F1151-L1157 HydrophobicContact CE2-CD1 4.12Å; F1151-L1157 HydrophobicContact CZ-CB 4.21Å; F1151-L1157 HydrophobicContact CZ-CD1 4.21Å; T1155-L1157 PolarHBondContact O-N 3Å
1158	Y	79.4	Confident	80.5	Confident	45 Å²	45	40.7 Å²	40.7	18%	0.176	21%	0.213	C	C	.	.			trans	-112.2	129.7	173.7	-179	-107.6	0	0	0	112	Y865 T1152 L1160 I1166	Y865-Y1158 HydrophobicContact CE2-CE1 4.11Å; Y865-Y1158 HydrophobicContact CE2-CE2 4.06Å; Y865-Y1158 AromaticContact CE2-CZ 3.73Å; Y865-Y1158 AromaticContact CZ-CE2 3.93Å; Y865-Y1158 WeakPolarHBondContact OH-CE2 3.43Å; T1152-Y1158 HydrophobicContact CG2-CD1 4.07Å; T1152-Y1158 HydrophobicContact CG2-CD2 3.98Å; T1152-Y1158 HydrophobicContact CG2-CG 3.68Å; T1152-Y1158 WeakPolarHBondContact O-CD1 3.19Å; Y1158-L1160 HydrophobicContact CE1-CD2 4.18Å; Y1158-L1160 HydrophobicContact CE1-CG 4.45Å; Y1158-I1166 HydrophobicContact CD1-CD1 3.6Å; Y1158-I1166 HydrophobicContact CD1-CG1 4.29Å; Y1158-I1166 HydrophobicContact CE1-CD1 3.74Å; Y1158-I1166 PolarHBondContact O-N 3.08Å
1159	N	76.6	Confident	79.8	Confident	81 Å²	81	41.4 Å²	41.4	43%	0.433	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.3	-169.6	-69.3	32.2	0	0	0	111.7	G1164 D1165	N1159-G1164 VanDerWaalsContact CA-O 3.3Å; N1159-G1164 WeakPolarHBondContact CA-O 3.1Å; N1159-D1165 PolarHBondContact ND2-OD1 3.01Å; N1159-D1165 WeakPolarHBondContact OD1-CA 3.31Å; N1159-D1165 PolarHBondContact OD1-OD1 3.14Å
1160	L	77.8	Confident	79.1	Confident	14 Å²	14	43.5 Å²	43.5	7%	0.073	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	140.7	166.8	-71.8	173	0	0	0	110.8	E861 F1119 Y1158 Y1162 E1163 G1164 I1166	E861-L1160 HydrophobicContact CB-CD2 3.78Å; F1119-L1160 HydrophobicContact CE2-CD1 4.33Å; F1119-L1160 HydrophobicContact CZ-CD1 4.23Å; Y1158-L1160 HydrophobicContact CE1-CD2 4.18Å; Y1158-L1160 HydrophobicContact CE1-CG 4.45Å; L1160-Y1162 PolarHBondContact O-N 3Å; L1160-E1163 HydrophobicContact CB-CB 3.97Å; L1160-E1163 PolarHBondContact O-N 3.4Å; L1160-G1164 PolarHBondContact N-O 3.3Å; L1160-G1164 PolarHBondContact O-N 3.21Å; L1160-I1166 HydrophobicContact CD1-CD1 3.78Å; L1160-I1166 HydrophobicContact CD1-CG1 4.35Å; L1160-I1166 HydrophobicContact CG-CD1 3.7Å; L1160-I1166 HydrophobicContact CG-CG1 4.22Å
1161	M	68.2	Low	78.8	Confident	147 Å²	147	42.4 Å²	42.4	72%	0.724	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.1	-27.5	-177.5	-179.9	-179.1	-77.4	0	0	115.7
1162	Y	68.6	Low	78.6	Confident	85 Å²	85	42.4 Å²	42.4	33%	0.333	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-6.3	-175	-58.1	-65.4	0	0	0	113.9	N1038 L1043 K1047 L1160	N1038-Y1162 PolarHBondContact ND2-O 3.39Å; L1043-Y1162 HydrophobicContact CD1-CD1 4.31Å; L1043-Y1162 HydrophobicContact CD1-CG 4.36Å; L1043-Y1162 HydrophobicContact CD2-CD1 3.82Å; L1043-Y1162 HydrophobicContact CD2-CE1 4.5Å; K1047-Y1162 PolarHBondContact NZ-OH 2.76Å; L1160-Y1162 PolarHBondContact O-N 3Å
1163	E	71.1	Confident	78.6	Confident	32 Å²	32	44 Å²	44	15%	0.15	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-39	-171.7	-164	157.1	166.7	0	0	112.4	R1026 L1034 N1038 L1160	R1026-E1163 IonicContact CZ-OE1 3.75Å; R1026-E1163 IonicContact CZ-OE2 3.75Å; R1026-E1163 IonicContact NH1-OE1 3.43Å; R1026-E1163 IonicContact NH1-OE2 3.19Å; R1026-E1163 PolarHBondContact NH1-OE2 3.17Å; R1026-E1163 IonicContact NH2-OE1 3.39Å; R1026-E1163 PolarHBondContact NH2-OE1 2.94Å; R1026-E1163 IonicContact NH2-OE2 2.68Å; R1026-E1163 PolarHBondContact NH2-OE2 3.02Å; R1026-E1163 VanDerWaalsContact NH2-OE2 3.16Å; L1034-E1163 HydrophobicContact CD1-CB 3.71Å; L1034-E1163 HydrophobicContact CD1-CG 3.8Å; N1038-E1163 PolarHBondContact ND2-O 3.29Å; L1160-E1163 HydrophobicContact CB-CB 3.97Å; L1160-E1163 PolarHBondContact O-N 3.4Å
1164	G	75.9	Confident	78.7	Confident	26 Å²	26	44.3 Å²	44.3	27%	0.268	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	89.8	-155.9	-161.1	0	0	0	0	0	111	N1159 L1160	N1159-G1164 VanDerWaalsContact CA-O 3.3Å; N1159-G1164 WeakPolarHBondContact CA-O 3.1Å; L1160-G1164 PolarHBondContact N-O 3.3Å; L1160-G1164 PolarHBondContact O-N 3.21Å
1165	D	79.3	Confident	79.1	Confident	72 Å²	72	51 Å²	51	39%	0.385	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	129.3	-173.2	-15.6	-31.8	0	0	0	111.7	N1156 N1159 N1170	N1156-D1165 HydrophobicContact CB-CB 4.07Å; N1159-D1165 PolarHBondContact ND2-OD1 3.01Å; N1159-D1165 WeakPolarHBondContact OD1-CA 3.31Å; N1159-D1165 PolarHBondContact OD1-OD1 3.14Å; D1165-N1170 PolarHBondContact O-ND2 2.84Å
1166	I	80.9	Confident	79.6	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.304	C	S	.	.			trans	-89	133.9	179.4	-45.9	177.5	0	0	0	110.6	I862 V1123 T1155 Y1158 L1160	I862-I1166 HydrophobicContact CD1-CD1 3.58Å; I862-I1166 HydrophobicContact CD1-CG2 4.46Å; I862-I1166 HydrophobicContact CG1-CD1 4.21Å; V1123-I1166 HydrophobicContact CB-CG2 4.44Å; V1123-I1166 HydrophobicContact CG1-CG2 3.86Å; V1123-I1166 HydrophobicContact CG2-CG2 3.63Å; T1155-I1166 VanDerWaalsContact O-O 3.13Å; Y1158-I1166 HydrophobicContact CD1-CD1 3.6Å; Y1158-I1166 HydrophobicContact CD1-CG1 4.29Å; Y1158-I1166 HydrophobicContact CE1-CD1 3.74Å; Y1158-I1166 PolarHBondContact O-N 3.08Å; L1160-I1166 HydrophobicContact CD1-CD1 3.78Å; L1160-I1166 HydrophobicContact CD1-CG1 4.35Å; L1160-I1166 HydrophobicContact CG-CD1 3.7Å; L1160-I1166 HydrophobicContact CG-CG1 4.22Å
1167	S	80.5	Confident	80.2	Confident	6 Å²	6	61.1 Å²	61.1	4%	0.042	31%	0.309	C	S	.	.			trans	-162.6	164.5	162.3	60	0	0	0	0	111.4	T1153 N1156 A1169 N1170 I1171	T1153-S1167 WeakPolarHBondContact O-CA 3.44Å; N1156-S1167 WeakPolarHBondContact OD1-CB 3.31Å; N1156-S1167 PolarHBondContact OD1-OG 2.72Å; S1167-A1169 PolarHBondContact O-N 2.93Å; S1167-A1169 VanDerWaalsContact O-N 3.13Å; S1167-N1170 PolarHBondContact O-N 3.05Å; S1167-N1170 PolarHBondContact OG-N 3.04Å; S1167-I1171 PolarHBondContact O-N 3.26Å; S1167-I1171 VanDerWaalsContact O-N 3.08Å
1168	P	80.3	Confident	80.9	Confident	49 Å²	49	58.8 Å²	58.8	32%	0.318	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-25.9	172.7	-27.7	36.1	0	0	0	114.2	V1123 I1171	V1123-P1168 HydrophobicContact CG1-CG 4.19Å; P1168-I1171 WeakPolarHBondContact O-CG1 3.49Å
1169	A	74.9	Confident	81.6	Confident	75 Å²	75	59.4 Å²	59.4	62%	0.62	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-46.5	171.5	0	0	0	0	0	111.6	S1167	S1167-A1169 PolarHBondContact O-N 2.93Å; S1167-A1169 VanDerWaalsContact O-N 3.13Å
1170	N	78.9	Confident	82.3	Confident	44 Å²	44	64.9 Å²	64.9	24%	0.235	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-72.6	-35.9	-172.7	-71.2	-5.8	0	0	0	113.8	N1156 D1165 S1167 N1172 I1173	N1156-N1170 PolarHBondContact OD1-ND2 2.91Å; D1165-N1170 PolarHBondContact O-ND2 2.84Å; S1167-N1170 PolarHBondContact O-N 3.05Å; S1167-N1170 PolarHBondContact OG-N 3.04Å; N1170-N1172 PolarHBondContact O-N 2.82Å; N1170-I1173 HydrophobicContact CB-CD1 3.89Å; N1170-I1173 VanDerWaalsContact O-CB 3.3Å; N1170-I1173 WeakPolarHBondContact O-CB 3.2Å; N1170-I1173 WeakPolarHBondContact O-CD1 3.33Å; N1170-I1173 VanDerWaalsContact O-CG1 3.24Å; N1170-I1173 WeakPolarHBondContact O-CG1 3.42Å; N1170-I1173 PolarHBondContact O-N 2.67Å
1171	I	83.8	Confident	83.1	Confident	5 Å²	5	72.5 Å²	72.5	3%	0.026	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-59.3	-19.3	-178.6	57.7	168.6	0	0	0	114.3	F1119 E1120 V1123 S1167 P1168	F1119-I1171 HydrophobicContact CE1-CG2 3.86Å; E1120-I1171 HydrophobicContact CB-CD1 4.33Å; E1120-I1171 HydrophobicContact CG-CD1 4.47Å; V1123-I1171 HydrophobicContact CB-CD1 4.19Å; V1123-I1171 HydrophobicContact CB-CG2 4.19Å; V1123-I1171 HydrophobicContact CG1-CD1 4.08Å; V1123-I1171 HydrophobicContact CG1-CG2 3.86Å; V1123-I1171 HydrophobicContact CG2-CG2 4.15Å; S1167-I1171 PolarHBondContact O-N 3.26Å; S1167-I1171 VanDerWaalsContact O-N 3.08Å; P1168-I1171 WeakPolarHBondContact O-CG1 3.49Å
1172	N	86.9	Confident	84.4	Confident	43 Å²	43	66.6 Å²	66.6	23%	0.23	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-103.9	8.8	179.3	-75.7	-71.1	0	0	0	114.3	N1170 W1174 R1175	N1170-N1172 PolarHBondContact O-N 2.82Å; N1172-W1174 PolarHBondContact O-N 2.74Å; N1172-R1175 WeakPolarHBondContact O-CB 3.25Å; N1172-R1175 WeakPolarHBondContact O-CG 3.49Å; N1172-R1175 PolarHBondContact O-N 2.77Å; N1172-R1175 PolarHBondContact OD1-NE 3.01Å; N1172-R1175 PolarHBondContact OD1-NH2 3.04Å
1173	I	87.4	Confident	85.6	Confident	35 Å²	35	63.2 Å²	63.2	18%	0.179	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-29.7	-180	-81.4	169.2	0	0	0	113.3	Y1033 N1170 R1175 Q1176 K1177	Y1033-I1173 HydrophobicContact CE1-CG2 3.97Å; Y1033-I1173 HydrophobicContact CE2-CG2 4.36Å; N1170-I1173 HydrophobicContact CB-CD1 3.89Å; N1170-I1173 VanDerWaalsContact O-CB 3.3Å; N1170-I1173 WeakPolarHBondContact O-CB 3.2Å; N1170-I1173 WeakPolarHBondContact O-CD1 3.33Å; N1170-I1173 VanDerWaalsContact O-CG1 3.24Å; N1170-I1173 WeakPolarHBondContact O-CG1 3.42Å; N1170-I1173 PolarHBondContact O-N 2.67Å; I1173-R1175 PolarHBondContact O-N 2.83Å; I1173-R1175 VanDerWaalsContact O-N 3.14Å; I1173-Q1176 PolarHBondContact O-N 2.73Å; I1173-K1177 HydrophobicContact CG2-CB 4.3Å; I1173-K1177 HydrophobicContact CG2-CD 3.54Å; I1173-K1177 HydrophobicContact CG2-CG 3.95Å; I1173-K1177 PolarHBondContact O-N 3.48Å
1174	W	89.9	Confident	86.7	Confident	7 Å²	7	65.3 Å²	65.3	3%	0.027	33%	0.327	C	S	.	.	H	α-helix	trans	-53.1	-33.6	175.3	66.1	-98.4	0	0	0	112.6	R1029 Y1033 N1172 Q1176 K1177 M1178 V1183	R1029-W1174 HydrophobicContact CB-CD2 3.71Å; R1029-W1174 HydrophobicContact CB-CE3 3.7Å; R1029-W1174 HydrophobicContact CB-CG 4.32Å; R1029-W1174 HydrophobicContact CB-CH2 4.18Å; R1029-W1174 HydrophobicContact CB-CZ2 4.15Å; R1029-W1174 HydrophobicContact CB-CZ3 3.95Å; R1029-W1174 VanDerWaalsContact CD-CH2 3.45Å; R1029-W1174 HydrophobicContact CG-CE3 4.48Å; R1029-W1174 HydrophobicContact CG-CH2 4.41Å; R1029-W1174 HydrophobicContact CG-CZ3 4.28Å; R1029-W1174 VanDerWaalsContact CZ-CH2 3.44Å; R1029-W1174 VanDerWaalsContact NE-CH2 3.29Å; Y1033-W1174 HydrophobicContact CD1-CB 4.31Å; Y1033-W1174 HydrophobicContact CD2-CB 4.08Å; Y1033-W1174 HydrophobicContact CG-CB 3.7Å; N1172-W1174 PolarHBondContact O-N 2.74Å; W1174-Q1176 PolarHBondContact O-N 2.82Å; W1174-K1177 PolarHBondContact O-N 3.36Å; W1174-M1178 WeakPolarHBondContact O-CB 3.44Å; W1174-M1178 PolarHBondContact O-N 2.83Å; W1174-V1183 HydrophobicContact CE3-CG2 4.27Å; W1174-V1183 HydrophobicContact CZ3-CG1 3.94Å; W1174-V1183 HydrophobicContact CZ3-CG2 4.31Å
1175	R	89.6	Confident	87.6	Confident	164 Å²	164	66.6 Å²	66.6	62%	0.619	33%	0.328	S	S	*	.	H	α-helix	trans	-62	-24.8	178.1	-60.9	-177.8	-166.4	-158.5	5.9	113.5	N1172 I1173	N1172-R1175 WeakPolarHBondContact O-CB 3.25Å; N1172-R1175 WeakPolarHBondContact O-CG 3.49Å; N1172-R1175 PolarHBondContact O-N 2.77Å; N1172-R1175 PolarHBondContact OD1-NE 3.01Å; N1172-R1175 PolarHBondContact OD1-NH2 3.04Å; I1173-R1175 PolarHBondContact O-N 2.83Å; I1173-R1175 VanDerWaalsContact O-N 3.14Å
1176	Q	87.8	Confident	88.4	Confident	168 Å²	168	63.1 Å²	63.1	79%	0.785	31%	0.31	S	S	*	.	H	α-helix	trans	-102.6	-34.8	-178.5	-61.4	178.8	-0.5	0	0	112.4	I1173 W1174	I1173-Q1176 PolarHBondContact O-N 2.73Å; W1174-Q1176 PolarHBondContact O-N 2.82Å
1177	K	89.7	Confident	89.1	Confident	125 Å²	125	63.8 Å²	63.8	54%	0.543	31%	0.312	S	S	.	.	H	α-helix	trans	-106.2	-14.7	-170.1	-63.3	-172.9	-168.7	167	0	115.2	Y1033 I1173 W1174	Y1033-K1177 HydrophobicContact CE2-CB 3.69Å; I1173-K1177 HydrophobicContact CG2-CB 4.3Å; I1173-K1177 HydrophobicContact CG2-CD 3.54Å; I1173-K1177 HydrophobicContact CG2-CG 3.95Å; I1173-K1177 PolarHBondContact O-N 3.48Å; W1174-K1177 PolarHBondContact O-N 3.36Å
1178	M	92.4	Very high	89.8	Confident	11 Å²	11	68.3 Å²	68.3	5%	0.054	34%	0.336	C	S	.	.	S	Bend	trans	-87.7	138.3	174.3	-173.4	175.6	-91.6	0	0	110.8	I1032 Y1033 Y1037 W1174 R1180 D1182 V1183 I1186	I1032-M1178 HydrophobicContact CB-CE 4.27Å; I1032-M1178 HydrophobicContact CG2-CE 4Å; Y1033-M1178 HydrophobicContact CD2-CB 4.49Å; Y1037-M1178 HydrophobicContact CD2-CE 3.89Å; Y1037-M1178 HydrophobicContact CE2-CE 4Å; Y1037-M1178 HydrophobicContact CE2-CG 4.23Å; W1174-M1178 WeakPolarHBondContact O-CB 3.44Å; W1174-M1178 PolarHBondContact O-N 2.83Å; M1178-R1180 PolarHBondContact O-N 2.63Å; M1178-D1182 HydrophobicContact CG-CB 4.15Å; M1178-D1182 HydrophobicContact SD-CB 4.43Å; M1178-V1183 HydrophobicContact CB-CG2 4.05Å; M1178-V1183 HydrophobicContact CG-CG2 3.83Å; M1178-V1183 HydrophobicContact SD-CG2 3.7Å; M1178-I1186 HydrophobicContact CE-CD1 3.93Å; M1178-I1186 HydrophobicContact SD-CD1 3.68Å
1179	P	93.9	Very high	90.5	Very high	58 Å²	58	67.4 Å²	67.4	38%	0.377	33%	0.329	S	S	.	.			trans	-62.1	136	174.9	-21.8	33.8	0	0	0	112.2	Y1037 K1181 D1182 V1183	Y1037-P1179 HydrophobicContact CE1-CG 4.39Å; P1179-K1181 VanDerWaalsContact C-N 3.26Å; P1179-K1181 PolarHBondContact O-N 2.79Å; P1179-K1181 VanDerWaalsContact O-N 3.17Å; P1179-D1182 WeakPolarHBondContact CB-OD2 3.21Å; P1179-D1182 WeakPolarHBondContact CD-OD2 3.34Å; P1179-D1182 WeakPolarHBondContact CG-OD2 3.48Å; P1179-D1182 WeakPolarHBondContact O-CB 3.32Å; P1179-D1182 PolarHBondContact O-N 3.25Å; P1179-V1183 PolarHBondContact O-N 3.29Å
1180	R	91.1	Very high	91.6	Very high	197 Å²	197	63.9 Å²	63.9	74%	0.743	30%	0.299	S	S	*	.	H	α-helix	trans	-53.9	-39.3	-177.9	-71.9	-169.6	-179.6	-157.1	1.8	113.6	M1178 D1182 V1183 T1184	M1178-R1180 PolarHBondContact O-N 2.63Å; R1180-D1182 PolarHBondContact O-N 2.84Å; R1180-V1183 WeakPolarHBondContact O-CB 3.31Å; R1180-V1183 PolarHBondContact O-N 3.32Å; R1180-T1184 PolarHBondContact O-N 3.29Å; R1180-T1184 PolarHBondContact O-OG1 3.36Å; R1180-T1184 VanDerWaalsContact O-OG1 3.1Å
1181	K	93.9	Very high	92.2	Very high	173 Å²	173	62.1 Å²	62.1	75%	0.752	29%	0.292	S	S	*	.	H	α-helix	trans	-55.6	-38.3	177	-177.5	-176.8	175.8	-174	0	112.1	P1179 L1185	P1179-K1181 VanDerWaalsContact C-N 3.26Å; P1179-K1181 PolarHBondContact O-N 2.79Å; P1179-K1181 VanDerWaalsContact O-N 3.17Å; K1181-L1185 WeakPolarHBondContact O-CB 3.46Å; K1181-L1185 PolarHBondContact O-N 3.31Å
1182	D	94.8	Very high	92.7	Very high	24 Å²	24	64.7 Å²	64.7	13%	0.128	32%	0.32	C	S	.	.	H	α-helix	trans	-78.5	-38	-177	-55.3	-27	0	0	0	110.4	Y1037 I1088 M1178 P1179 R1180 L1185 I1186	Y1037-D1182 PolarHBondContact OH-OD2 3.17Å; I1088-D1182 HydrophobicContact CD1-CB 3.79Å; I1088-D1182 VanDerWaalsContact CD1-CG 3.43Å; I1088-D1182 HydrophobicContact CG2-CB 4.25Å; M1178-D1182 HydrophobicContact CG-CB 4.15Å; M1178-D1182 HydrophobicContact SD-CB 4.43Å; P1179-D1182 WeakPolarHBondContact CB-OD2 3.21Å; P1179-D1182 WeakPolarHBondContact CD-OD2 3.34Å; P1179-D1182 WeakPolarHBondContact CG-OD2 3.48Å; P1179-D1182 WeakPolarHBondContact O-CB 3.32Å; P1179-D1182 PolarHBondContact O-N 3.25Å; R1180-D1182 PolarHBondContact O-N 2.84Å; D1182-L1185 PolarHBondContact O-N 2.95Å; D1182-I1186 WeakPolarHBondContact O-CD1 3.39Å; D1182-I1186 WeakPolarHBondContact O-CG1 3.42Å; D1182-I1186 PolarHBondContact O-N 3.4Å
1183	V	94.3	Very high	93.1	Very high	13 Å²	13	63.4 Å²	63.4	8%	0.079	31%	0.313	C	S	.	.	H	α-helix	trans	-57.9	-47.6	169.6	179.2	0	0	0	0	110.7	W1174 M1178 P1179 R1180 I1186 E1187	W1174-V1183 HydrophobicContact CE3-CG2 4.27Å; W1174-V1183 HydrophobicContact CZ3-CG1 3.94Å; W1174-V1183 HydrophobicContact CZ3-CG2 4.31Å; M1178-V1183 HydrophobicContact CB-CG2 4.05Å; M1178-V1183 HydrophobicContact CG-CG2 3.83Å; M1178-V1183 HydrophobicContact SD-CG2 3.7Å; P1179-V1183 PolarHBondContact O-N 3.29Å; R1180-V1183 WeakPolarHBondContact O-CB 3.31Å; R1180-V1183 PolarHBondContact O-N 3.32Å; V1183-I1186 PolarHBondContact O-N 3.25Å; V1183-E1187 HydrophobicContact CG1-CG 4.43Å; V1183-E1187 WeakPolarHBondContact CG1-OE1 3.11Å; V1183-E1187 WeakPolarHBondContact O-CB 3.45Å; V1183-E1187 WeakPolarHBondContact O-CG 3.23Å; V1183-E1187 PolarHBondContact O-N 3.48Å
1184	T	94.1	Very high	93.5	Very high	76 Å²	76	61.8 Å²	61.8	47%	0.466	31%	0.305	S	S	.	.	H	α-helix	trans	-60	-46.5	176.1	-54.5	0	0	0	0	111.7	R1180 I1186 E1187 D1188	R1180-T1184 PolarHBondContact O-N 3.29Å; R1180-T1184 PolarHBondContact O-OG1 3.36Å; R1180-T1184 VanDerWaalsContact O-OG1 3.1Å; T1184-I1186 VanDerWaalsContact C-N 3.33Å; T1184-I1186 PolarHBondContact O-N 3.36Å; T1184-E1187 PolarHBondContact O-N 2.95Å; T1184-E1187 VanDerWaalsContact O-N 3.13Å; T1184-D1188 PolarHBondContact O-N 3.18Å
1185	L	95.3	Very high	93.6	Very high	53 Å²	53	69.9 Å²	69.9	28%	0.277	34%	0.34	S	S	.	.	H	α-helix	trans	-57.9	-43.6	177.4	-179.1	62.8	0	0	0	112.3	I1088 L1089 K1181 D1182 I1189	I1088-L1185 HydrophobicContact CG2-CD2 4.29Å; L1089-L1185 HydrophobicContact CB-CD2 4.48Å; L1089-L1185 HydrophobicContact CD1-CD1 4.37Å; K1181-L1185 WeakPolarHBondContact O-CB 3.46Å; K1181-L1185 PolarHBondContact O-N 3.31Å; D1182-L1185 PolarHBondContact O-N 2.95Å; L1185-I1189 HydrophobicContact CD1-CD1 3.89Å; L1185-I1189 HydrophobicContact CG-CD1 4.04Å; L1185-I1189 WeakPolarHBondContact O-CD1 3.37Å; L1185-I1189 WeakPolarHBondContact O-CG1 3.39Å; L1185-I1189 PolarHBondContact O-N 2.79Å
1186	I	96.3	Very high	93.8	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-65.7	-42.4	176.1	-64.2	162.1	0	0	0	110.6	P1028 R1029 I1032 I1088 A1092 M1178 D1182 V1183 T1184 I1189 C1190	P1028-I1186 HydrophobicContact CB-CG2 3.86Å; P1028-I1186 HydrophobicContact CG-CG2 4.12Å; R1029-I1186 HydrophobicContact CG-CB 4.36Å; R1029-I1186 HydrophobicContact CG-CG2 3.76Å; I1032-I1186 HydrophobicContact CB-CD1 4.05Å; I1032-I1186 HydrophobicContact CD1-CD1 3.78Å; I1032-I1186 HydrophobicContact CD1-CG1 3.71Å; I1032-I1186 HydrophobicContact CD1-CG2 4.12Å; I1032-I1186 HydrophobicContact CG1-CD1 4.5Å; I1032-I1186 HydrophobicContact CG2-CD1 3.96Å; I1088-I1186 HydrophobicContact CG2-CD1 4.03Å; I1088-I1186 HydrophobicContact CG2-CG1 3.9Å; A1092-I1186 HydrophobicContact CB-CG1 4.44Å; M1178-I1186 HydrophobicContact CE-CD1 3.93Å; M1178-I1186 HydrophobicContact SD-CD1 3.68Å; D1182-I1186 WeakPolarHBondContact O-CD1 3.39Å; D1182-I1186 WeakPolarHBondContact O-CG1 3.42Å; D1182-I1186 PolarHBondContact O-N 3.4Å; V1183-I1186 PolarHBondContact O-N 3.25Å; T1184-I1186 VanDerWaalsContact C-N 3.33Å; T1184-I1186 PolarHBondContact O-N 3.36Å; I1186-I1189 PolarHBondContact O-N 2.7Å; I1186-C1190 VanDerWaalsContact O-CB 3.25Å; I1186-C1190 WeakPolarHBondContact O-CB 3.45Å; I1186-C1190 PolarHBondContact O-N 3.5Å
1187	E	95.2	Very high	94	Very high	13 Å²	13	62.3 Å²	62.3	6%	0.061	31%	0.305	C	S	.	.	H	α-helix	trans	-70	-29.9	-179.8	-74.9	-174.7	-162.1	0	0	113.5	R1029 V1183 T1184 G1191 M1194 R1201 S1202	R1029-E1187 WeakPolarHBondContact CD-OE1 3.45Å; R1029-E1187 IonicContact CZ-OE1 3.29Å; R1029-E1187 IonicContact NE-OE1 3.56Å; R1029-E1187 IonicContact NH1-OE1 3.61Å; R1029-E1187 PolarHBondContact NH1-OE1 2.93Å; V1183-E1187 HydrophobicContact CG1-CG 4.43Å; V1183-E1187 WeakPolarHBondContact CG1-OE1 3.11Å; V1183-E1187 WeakPolarHBondContact O-CB 3.45Å; V1183-E1187 WeakPolarHBondContact O-CG 3.23Å; V1183-E1187 PolarHBondContact O-N 3.48Å; T1184-E1187 PolarHBondContact O-N 2.95Å; T1184-E1187 VanDerWaalsContact O-N 3.13Å; E1187-G1191 WeakPolarHBondContact O-CA 3.34Å; E1187-G1191 PolarHBondContact O-N 3.08Å; E1187-M1194 HydrophobicContact CG-CE 4.08Å; E1187-M1194 HydrophobicContact CG-SD 4.38Å; E1187-R1201 HydrophobicContact CB-CG 4.19Å; E1187-R1201 HydrophobicContact CG-CG 4.31Å; E1187-R1201 VanDerWaalsContact O-CZ 3.28Å; E1187-R1201 PolarHBondContact O-NE 2.76Å; E1187-R1201 VanDerWaalsContact O-NE 3.1Å; E1187-R1201 PolarHBondContact O-NH2 3.25Å; E1187-R1201 VanDerWaalsContact OE2-CA 3.28Å; E1187-R1201 WeakPolarHBondContact OE2-CA 3.15Å; E1187-R1201 WeakPolarHBondContact OE2-CB 3.5Å; E1187-R1201 WeakPolarHBondContact OE2-CG 3.24Å; E1187-S1202 VanDerWaalsContact CD-N 3.31Å; E1187-S1202 WeakPolarHBondContact OE1-CB 3.45Å; E1187-S1202 PolarHBondContact OE1-N 3.12Å; E1187-S1202 PolarHBondContact OE1-OG 2.68Å; E1187-S1202 PolarHBondContact OE2-N 2.71Å
1188	D	95.3	Very high	94.1	Very high	102 Å²	102	58.9 Å²	58.9	55%	0.545	31%	0.305	S	S	.	.	H	α-helix	trans	-70.8	-42.7	173.5	-77.2	-29.4	0	0	0	112.3	T1184 R1201	T1184-D1188 PolarHBondContact O-N 3.18Å; D1188-R1201 IonicContact OD1-CZ 3.2Å; D1188-R1201 IonicContact OD1-NH1 2.74Å; D1188-R1201 IonicContact OD1-NH2 2.71Å; D1188-R1201 PolarHBondContact OD1-NH2 3.22Å
1189	I	95.7	Very high	94.1	Very high	30 Å²	30	59.1 Å²	59.1	15%	0.154	31%	0.305	C	S	.	.	H	α-helix	trans	-73.5	-52	178	-64.6	162.5	0	0	0	111.2	L1089 A1092 L1096 L1185 I1186	L1089-I1189 HydrophobicContact CD1-CD1 3.53Å; A1092-I1189 HydrophobicContact CB-CB 4.25Å; A1092-I1189 HydrophobicContact CB-CD1 3.78Å; A1092-I1189 HydrophobicContact CB-CG2 4.05Å; L1096-I1189 HydrophobicContact CB-CG2 4.49Å; L1096-I1189 HydrophobicContact CD2-CG2 3.82Å; L1185-I1189 HydrophobicContact CD1-CD1 3.89Å; L1185-I1189 HydrophobicContact CG-CD1 4.04Å; L1185-I1189 WeakPolarHBondContact O-CD1 3.37Å; L1185-I1189 WeakPolarHBondContact O-CG1 3.39Å; L1185-I1189 PolarHBondContact O-N 2.79Å; I1186-I1189 PolarHBondContact O-N 2.7Å
1190	C	96.5	Very high	93.8	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-90.7	-13.1	-170.3	-60.6	0	0	0	0	113.9	P1028 A1092 W1095 I1186 G1192 V1193 M1194	P1028-C1190 HydrophobicContact CB-CB 4.29Å; P1028-C1190 HydrophobicContact CG-CB 3.91Å; A1092-C1190 PolarHBondContact O-SG 3.42Å; W1095-C1190 HydrophobicContact CE3-CB 3.99Å; W1095-C1190 HydrophobicContact CZ3-CB 3.79Å; I1186-C1190 VanDerWaalsContact O-CB 3.25Å; I1186-C1190 WeakPolarHBondContact O-CB 3.45Å; I1186-C1190 PolarHBondContact O-N 3.5Å; C1190-G1192 VanDerWaalsContact C-N 3.31Å; C1190-G1192 PolarHBondContact O-N 2.89Å; C1190-G1192 VanDerWaalsContact O-N 3.12Å; C1190-V1193 PolarHBondContact O-N 3.27Å; C1190-M1194 HydrophobicContact CB-CG 3.95Å; C1190-M1194 HydrophobicContact CB-SD 3.74Å; C1190-M1194 WeakPolarHBondContact O-CG 3.23Å; C1190-M1194 PolarHBondContact O-N 3.38Å
1191	G	92.9	Very high	93.6	Very high	8 Å²	8	56.9 Å²	56.9	8%	0.082	31%	0.305	C	S	.	.	H	α-helix	trans	-54.1	-36.9	-165.9	0	0	0	0	0	116.2	E1187 V1193 K1195	E1187-G1191 WeakPolarHBondContact O-CA 3.34Å; E1187-G1191 PolarHBondContact O-N 3.08Å; G1191-V1193 VanDerWaalsContact C-N 3.35Å; G1191-V1193 PolarHBondContact O-N 2.91Å; G1191-K1195 PolarHBondContact O-N 2.75Å
1192	G	93.9	Very high	92.9	Very high	59 Å²	59	51.4 Å²	51.4	61%	0.608	29%	0.289	S	S	*	.	H	α-helix	trans	-64.4	-37.7	177.3	0	0	0	0	0	113.1	C1190 R1196	C1190-G1192 VanDerWaalsContact C-N 3.31Å; C1190-G1192 PolarHBondContact O-N 2.89Å; C1190-G1192 VanDerWaalsContact O-N 3.12Å; G1192-R1196 PolarHBondContact O-N 2.98Å
1193	V	94.9	Very high	91.4	Very high	15 Å²	15	55.1 Å²	55.1	9%	0.091	32%	0.323	C	S	.	.	H	α-helix	trans	-82.8	-38.5	177.5	179.3	0	0	0	0	110.8	W1095 L1096 T1099 V1100 L1103 C1190 G1191 K1195 R1196 L1197	W1095-V1193 HydrophobicContact CH2-CB 4.45Å; W1095-V1193 HydrophobicContact CH2-CG1 3.95Å; W1095-V1193 HydrophobicContact CZ3-CB 4.17Å; W1095-V1193 HydrophobicContact CZ3-CG1 4Å; L1096-V1193 HydrophobicContact CD1-CB 4.16Å; L1096-V1193 HydrophobicContact CD1-CG2 3.5Å; T1099-V1193 HydrophobicContact CG2-CG1 3.96Å; V1100-V1193 HydrophobicContact CG2-CG2 3.53Å; L1103-V1193 HydrophobicContact CD1-CG1 4.26Å; C1190-V1193 PolarHBondContact O-N 3.27Å; G1191-V1193 VanDerWaalsContact C-N 3.35Å; G1191-V1193 PolarHBondContact O-N 2.91Å; V1193-K1195 PolarHBondContact O-N 3.27Å; V1193-R1196 CarbonylContact O-C 3.57Å; V1193-R1196 WeakPolarHBondContact O-CA 3.25Å; V1193-R1196 WeakPolarHBondContact O-CB 3.42Å; V1193-R1196 PolarHBondContact O-N 2.81Å; V1193-L1197 HydrophobicContact CG1-CD1 4.2Å; V1193-L1197 HydrophobicContact CG1-CG 4.35Å; V1193-L1197 WeakPolarHBondContact O-CG 3.4Å; V1193-L1197 PolarHBondContact O-N 3.36Å
1194	M	95.4	Very high	89	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.005	38%	0.376	C	S	.	.	H	α-helix	trans	-50.1	-46	170.5	-70.9	171.4	71	0	0	111.3	P1028 R1029 W1095 E1187 C1190 R1196 L1197 G1198 Y1199	P1028-M1194 HydrophobicContact CG-CE 4.2Å; P1028-M1194 HydrophobicContact CG-CG 3.68Å; P1028-M1194 HydrophobicContact CG-SD 3.65Å; R1029-M1194 HydrophobicContact CG-CE 4.46Å; W1095-M1194 HydrophobicContact CH2-CG 4.4Å; E1187-M1194 HydrophobicContact CG-CE 4.08Å; E1187-M1194 HydrophobicContact CG-SD 4.38Å; C1190-M1194 HydrophobicContact CB-CG 3.95Å; C1190-M1194 HydrophobicContact CB-SD 3.74Å; C1190-M1194 WeakPolarHBondContact O-CG 3.23Å; C1190-M1194 PolarHBondContact O-N 3.38Å; M1194-R1196 PolarHBondContact O-N 2.42Å; M1194-L1197 CarbonylContact O-C 3.45Å; M1194-L1197 PolarHBondContact O-N 3.08Å; M1194-L1197 VanDerWaalsContact O-N 3.1Å; M1194-G1198 PolarHBondContact O-N 3.32Å; M1194-G1198 VanDerWaalsContact O-N 3.11Å; M1194-Y1199 CarbonylContact C-O 3.46Å; M1194-Y1199 PolarHBondContact O-N 3.36Å
1195	K	93.1	Very high	88.7	Confident	177 Å²	177	62 Å²	62	77%	0.77	37%	0.372	S	S	*	.	H	α-helix	trans	-61.9	-40.9	174.9	-171.3	176.3	179.1	-179.9	0	113.1	G1191 V1193 L1197 G1198	G1191-K1195 PolarHBondContact O-N 2.75Å; V1193-K1195 PolarHBondContact O-N 3.27Å; K1195-L1197 PolarHBondContact O-N 3.34Å; K1195-G1198 PolarHBondContact O-N 3.4Å; K1195-G1198 VanDerWaalsContact O-N 3.13Å
1196	R	92.8	Very high	88.4	Confident	171 Å²	171	62.4 Å²	62.4	65%	0.645	38%	0.377	S	S	*	.	H	α-helix	trans	-65.3	-20.7	173.9	-77.1	-177.8	161.7	-147.3	-4.4	113.7	R1116 G1192 V1193 M1194	R1116-R1196 PolarHBondContact NH1-O 1.96Å; R1116-R1196 PolarHBondContact NH2-O 2.81Å; G1192-R1196 PolarHBondContact O-N 2.98Å; V1193-R1196 CarbonylContact O-C 3.57Å; V1193-R1196 WeakPolarHBondContact O-CA 3.25Å; V1193-R1196 WeakPolarHBondContact O-CB 3.42Å; V1193-R1196 PolarHBondContact O-N 2.81Å; M1194-R1196 PolarHBondContact O-N 2.42Å
1197	L	91.7	Very high	87.9	Confident	3 Å²	3	65.9 Å²	65.9	2%	0.016	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	2.6	174.8	-59.8	178.9	0	0	0	113.2	V1025 W1095 T1099 L1103 R1118 V1193 M1194 K1195 Y1199	V1025-L1197 HydrophobicContact CG1-CD1 4.29Å; V1025-L1197 HydrophobicContact CG1-CD2 4.37Å; V1025-L1197 HydrophobicContact CG2-CD1 3.76Å; W1095-L1197 HydrophobicContact CH2-CD1 3.67Å; W1095-L1197 HydrophobicContact CZ2-CD1 3.78Å; T1099-L1197 HydrophobicContact CG2-CD1 3.99Å; L1103-L1197 HydrophobicContact CD1-CD2 4.39Å; R1118-L1197 VanDerWaalsContact CD-O 3.3Å; R1118-L1197 WeakPolarHBondContact CD-O 3.34Å; R1118-L1197 PolarHBondContact NH1-O 2.94Å; V1193-L1197 HydrophobicContact CG1-CD1 4.2Å; V1193-L1197 HydrophobicContact CG1-CG 4.35Å; V1193-L1197 WeakPolarHBondContact O-CG 3.4Å; V1193-L1197 PolarHBondContact O-N 3.36Å; M1194-L1197 CarbonylContact O-C 3.45Å; M1194-L1197 PolarHBondContact O-N 3.08Å; M1194-L1197 VanDerWaalsContact O-N 3.1Å; K1195-L1197 PolarHBondContact O-N 3.34Å; L1197-Y1199 VanDerWaalsContact C-N 3.28Å; L1197-Y1199 HydrophobicContact CB-CD2 3.6Å; L1197-Y1199 HydrophobicContact CB-CE2 3.74Å; L1197-Y1199 HydrophobicContact CD1-CD2 4.06Å; L1197-Y1199 HydrophobicContact CD1-CE2 3.77Å; L1197-Y1199 HydrophobicContact CG-CD2 4.5Å; L1197-Y1199 HydrophobicContact CG-CE2 4.44Å; L1197-Y1199 PolarHBondContact O-N 2.66Å
1198	G	91.8	Very high	87.5	Confident	53 Å²	53	69 Å²	69	55%	0.546	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	19.3	-177.5	0	0	0	0	0	114.8	R1118 M1194 K1195	R1118-G1198 VanDerWaalsContact NH1-C 3.32Å; R1118-G1198 PolarHBondContact NH1-O 3.19Å; M1194-G1198 PolarHBondContact O-N 3.32Å; M1194-G1198 VanDerWaalsContact O-N 3.11Å; K1195-G1198 PolarHBondContact O-N 3.4Å; K1195-G1198 VanDerWaalsContact O-N 3.13Å
1199	Y	92.4	Very high	87	Confident	16 Å²	16	66.9 Å²	66.9	6%	0.063	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-85.6	123.1	168.2	-61.7	-63.3	0	0	0	109.7	R1026 D1027 E1120 M1194 L1197	R1026-Y1199 VanDerWaalsContact C-OH 3.32Å; R1026-Y1199 WeakPolarHBondContact CA-OH 3.39Å; D1027-Y1199 HydrophobicContact CB-CD1 4.09Å; D1027-Y1199 HydrophobicContact CB-CE1 3.82Å; D1027-Y1199 PolarHBondContact N-OH 3.41Å; E1120-Y1199 HydrophobicContact CG-CE1 4.27Å; E1120-Y1199 VanDerWaalsContact OE2-CE1 3.29Å; E1120-Y1199 WeakPolarHBondContact OE2-CE1 3.32Å; E1120-Y1199 PolarHBondContact OE2-OH 3.47Å; M1194-Y1199 CarbonylContact C-O 3.46Å; M1194-Y1199 PolarHBondContact O-N 3.36Å; L1197-Y1199 VanDerWaalsContact C-N 3.28Å; L1197-Y1199 HydrophobicContact CB-CD2 3.6Å; L1197-Y1199 HydrophobicContact CB-CE2 3.74Å; L1197-Y1199 HydrophobicContact CD1-CD2 4.06Å; L1197-Y1199 HydrophobicContact CD1-CE2 3.77Å; L1197-Y1199 HydrophobicContact CG-CD2 4.5Å; L1197-Y1199 HydrophobicContact CG-CE2 4.44Å; L1197-Y1199 PolarHBondContact O-N 2.66Å
1200	A	88.7	Confident	86.4	Confident	76 Å²	76	69.4 Å²	69.4	63%	0.628	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-76.5	142.5	173.9	0	0	0	0	0	111.5	R1029	R1029-A1200 PolarHBondContact NH1-O 2.91Å; R1029-A1200 PolarHBondContact NH2-O 2.94Å
1201	R	87.3	Confident	85.7	Confident	131 Å²	131	74.4 Å²	74.4	49%	0.494	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-62.5	154.5	161.2	-80.6	-169.4	170.7	-174.9	-6.3	110.3	E1187 D1188	E1187-R1201 HydrophobicContact CB-CG 4.19Å; E1187-R1201 HydrophobicContact CG-CG 4.31Å; E1187-R1201 VanDerWaalsContact O-CZ 3.28Å; E1187-R1201 PolarHBondContact O-NE 2.76Å; E1187-R1201 VanDerWaalsContact O-NE 3.1Å; E1187-R1201 PolarHBondContact O-NH2 3.25Å; E1187-R1201 VanDerWaalsContact OE2-CA 3.28Å; E1187-R1201 WeakPolarHBondContact OE2-CA 3.15Å; E1187-R1201 WeakPolarHBondContact OE2-CB 3.5Å; E1187-R1201 WeakPolarHBondContact OE2-CG 3.24Å; D1188-R1201 IonicContact OD1-CZ 3.2Å; D1188-R1201 IonicContact OD1-NH1 2.74Å; D1188-R1201 IonicContact OD1-NH2 2.71Å; D1188-R1201 PolarHBondContact OD1-NH2 3.22Å
1202	S	78.9	Confident	85.2	Confident	58 Å²	58	79.5 Å²	79.5	41%	0.406	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-67.9	145.3	173.6	-57.6	0	0	0	0	110	E1187	E1187-S1202 VanDerWaalsContact CD-N 3.31Å; E1187-S1202 WeakPolarHBondContact OE1-CB 3.45Å; E1187-S1202 PolarHBondContact OE1-N 3.12Å; E1187-S1202 PolarHBondContact OE1-OG 2.68Å; E1187-S1202 PolarHBondContact OE2-N 2.71Å
1203	A	62.8	Low	84.5	Confident	103 Å²	103	81.2 Å²	81.2	85%	0.851	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-66.9	138.3	166.2	0	0	0	0	0	109.2
1204	S	43.7	Very low	83.5	Confident	170 Å²	170	87.2 Å²	87.2	100%	1.189	51%	0.51	S	S	*	.			trans	-72.5	0	-177.7	57.8	0	0	0	0	112.9

Retrieved 1,204 of 1,204 residues in 576.3 ms (Link to these results)

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