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[histone-H3]-N(6),N(6)-dimethyl-L-lysine(4) FAD-dependent demethylase

Histone demethylase that demethylates 'Lys-4' of histone H3, a specific tag for epigenetic transcriptional activation, thereby acting as a corepressor. Required for de novo DNA methylation of a subset of imprinted genes during oogenesis. Acts by oxidizing the substrate by FAD to generate the corresponding imine that is subsequently hydrolyzed. Demethylates both mono- and di-methylated 'Lys-4' of histone H3. Has no effect on tri-methylated 'Lys-4', mono-, di- or tri-methylated 'Lys-9', mono-, di- or tri-methylated 'Lys-27', mono-, di- or tri-methylated 'Lys-36' of histone H3, or on mono-, di- or tri-methylated 'Lys-20' of histone H4. Alone, it is unable to demethylate H3K4me on nucleosomes and requires the presence of GLYR1 to achieve such activity, they form a multifunctional enzyme complex that modifies transcribed chromatin and facilitates Pol II transcription through nucleosomes.

AlphaFold DB , UniProt , Accession A0A093IBC3, Species STRCA (Struthio camelus australis), Gene n/a, Length 820 aa.

						>A0A093IBC3_STRCA|A0A093IBC3
MSTGRVRTKKKACSSDQSPDNLPLRSSGRQVKKKAAEAADDDDEASEKKYRKCEKAGCTATCPVCFASAAERCAKNGYTSRWYHLSCGEHFCNECFDHYYRSHKDGYEKYTAWKRIWTSNGKSEPSPKAFMADQQLPYWVQCTKPECGKWRQLTKEIQLTPQIAKTYRCGMKLNNSTKTEGSDQCSMPEDLRVAEVSDHWWYSMLILPPLLKDSVAAPFLAAYYPDCVGMSPSCTSTNRLPGESNIVKLEHLKSVPNLTVAGMNKYFQPFYQPNECGKALCVRPDVMELDELYEFPEYSRDPTMYLALRNLILALWYTNCKEALTPQKCIHHIIVRGLVRIRCVQEMERILYFMTRKGLINTGILSVSPDQYLLPKEYHNKSVIIVGAGAAGLAAARQLHNFGIKVVVLEAKDRIGGRVWDDKTFKGVTVGRGAQIVNGCVNNPMALMCEQLGIKMHKLGERCDLIQEGGRITDPTIDKRMDFHFNAILDVVSEWRKDKTQHHDVPLGEKIQEIYKAFIQESGIQFSELEEKVLQFHLSNLEYACGSNLSQVSARSWDHNEFFAQFAGDHTLLTVGYSTVIDTLAEGLDIRLNFPVHSIDYSGEEVQVTTAEGTVWTAQKVLVTVPLALLQKNTIQFNPPLSEKKIKAINSLGAGVIEKIALQFPYRFWDSKIQGADFFGHVPPNSSQRGLFSVFYDMDPEGKQSILMSVVTGDAVTTIKNLDDKQVLQQCMTVLRELFKEQEVPDPVKFFVTRWSKDPWLQMAYSFVKTGGSGEAYDIIAEDIQGTIFFAGEATNRHFPQTVTGAYLSGVREASKIAAF
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.1	Very low	26.8	Very low	251 Å²	251	173.1 Å²	173.1	100%	1.236	87%	0.867	S	S	*	*				0	176.4	0	-71.2	179.5	176.5	0	0	109.3
2	S	26.3	Very low	26.7	Very low	103 Å²	103	164.8 Å²	164.8	72%	0.72	85%	0.845	S	S	*	*			trans	-103	130.5	-143.9	53	0	0	0	0	117.9
3	T	29.2	Very low	26.6	Very low	134 Å²	134	161.8 Å²	161.8	82%	0.822	85%	0.845	S	S	*	*			trans	45.1	115.8	134.9	63.6	0	0	0	0	121.8
4	G	25.2	Very low	26.6	Very low	74 Å²	74	157.6 Å²	157.6	76%	0.763	84%	0.837	S	S	*	*				95.8	132.1	91	0	0	0	0	0	122.2
5	R	27.7	Very low	26.7	Very low	243 Å²	243	153.4 Å²	153.4	92%	0.917	83%	0.825	S	S	*	*			trans	73.6	103.1	148.7	-66.3	-176.9	172.1	177.1	-1.7	122.1
6	V	28.2	Very low	26.7	Very low	131 Å²	131	152.3 Å²	152.3	79%	0.794	82%	0.818	S	S	*	*				36.8	120.2	114	-177.7	0	0	0	0	119.8
7	R	24.9	Very low	26.7	Very low	245 Å²	245	153.5 Å²	153.5	93%	0.925	82%	0.818	S	S	*	*				-164.4	-179.3	129.9	-118.6	176.2	178.8	172.5	0.6	115.8
8	T	23.8	Very low	26.6	Very low	118 Å²	118	150.5 Å²	150.5	72%	0.724	81%	0.811	S	S	*	*			trans	-129.9	149.3	-157.2	53.4	0	0	0	0	115.6
9	K	25.3	Very low	27.4	Very low	202 Å²	202	148.4 Å²	148.4	88%	0.878	81%	0.806	S	S	*	*			trans	43.8	119.6	146.4	-74.1	-179.1	170.9	176.4	0	121
10	K	24.7	Very low	27.5	Very low	201 Å²	201	147.7 Å²	147.7	87%	0.874	80%	0.802	S	S	*	*				-175.3	132.4	124.2	-98.2	166.6	-179.1	-178.1	0	108.3
11	K	25.2	Very low	27.5	Very low	202 Å²	202	145.9 Å²	145.9	88%	0.878	79%	0.792	S	S	*	*				65.3	137.9	83.4	-95.7	-160.1	172.6	-167.2	0	113.8
12	A	26.1	Very low	27.4	Very low	74 Å²	74	141.7 Å²	141.7	61%	0.612	77%	0.774	S	S	*	*			cis	-163.8	173.2	2.6	0	0	0	0	0	113.2
13	C	25.5	Very low	27.6	Very low	125 Å²	125	142.3 Å²	142.3	85%	0.845	78%	0.775	S	S	*	*			trans	69.5	148.4	156.6	-67.8	0	0	0	0	117.9
14	S	26.6	Very low	27.4	Very low	104 Å²	104	143.5 Å²	143.5	73%	0.727	78%	0.776	S	S	*	*			cis	-163	-178.8	-11.5	52.2	0	0	0	0	107.9
15	S	27.8	Very low	27.4	Very low	94 Å²	94	150.8 Å²	150.8	66%	0.657	78%	0.78	S	S	*	*			cis	-151.3	160.9	15.4	-44.3	0	0	0	0	111.7
16	D	27	Very low	27.3	Very low	135 Å²	135	144.4 Å²	144.4	72%	0.722	77%	0.773	S	S	*	*			trans	61.7	167	154	-74.2	49.3	0	0	0	118.4
17	Q	26.6	Very low	27.3	Very low	173 Å²	173	143.8 Å²	143.8	81%	0.808	77%	0.774	S	S	*	*			cis	-134.5	-175	-7.5	-143.7	154.4	72.7	0	0	111.3
18	S	25	Very low	27.3	Very low	100 Å²	100	135.8 Å²	135.8	70%	0.699	77%	0.768	S	S	*	*			trans	-166.5	-175.7	-172.2	70.2	0	0	0	0	110.7
19	P	42.2	Very low	27.5	Very low	111 Å²	111	142 Å²	142	72%	0.721	78%	0.778	S	S	*	*			cis	-116.2	-137.1	-11.4	27.5	-2.8	0	0	0	108.7
20	D	28.3	Very low	27.6	Very low	133 Å²	133	141.8 Å²	141.8	71%	0.711	78%	0.78	S	S	*	*			cis	-161.8	175.8	-5.2	-143.2	8.6	0	0	0	107.4
21	N	27.8	Very low	27.6	Very low	111 Å²	111	138.3 Å²	138.3	59%	0.594	78%	0.775	S	S	*	*			cis	-150.1	161.5	-3.1	-170	-87.9	0	0	0	108.5
22	L	32.7	Very low	27.8	Very low	163 Å²	163	138.2 Å²	138.2	85%	0.853	78%	0.775	S	S	*	*			trans	-149.3	126.7	161.4	-101	175.7	0	0	0	110.5
23	P	30.1	Very low	27.8	Very low	115 Å²	115	145 Å²	145	75%	0.747	79%	0.79	S	S	*	*			trans	-101.1	149.1	167.7	34.6	-29.6	0	0	0	113.2
24	L	25.3	Very low	27.9	Very low	160 Å²	160	148.8 Å²	148.8	84%	0.838	79%	0.793	S	S	*	*			trans	-109	157.3	-173.7	-102.1	162.2	0	0	0	112.3
25	R	25.5	Very low	27.9	Very low	226 Å²	226	148.6 Å²	148.6	85%	0.853	80%	0.797	S	S	*	*			trans	64.1	125.6	159.4	-64.5	168.3	171.8	-173.5	-2.5	118.3
26	S	24.1	Very low	27.9	Very low	110 Å²	110	147.5 Å²	147.5	77%	0.769	79%	0.794	S	S	*	*				160.5	162.3	93.3	56.1	0	0	0	0	114.2
27	S	28.2	Very low	28	Very low	118 Å²	118	150 Å²	150	83%	0.825	80%	0.801	S	S	*	*			trans	-1.1	126.5	163.2	51.4	0	0	0	0	120.6
28	G	25	Very low	28.1	Very low	76 Å²	76	146.8 Å²	146.8	78%	0.784	80%	0.804	S	S	*	*			trans	-158.5	106.3	161.5	0	0	0	0	0	113.7
29	R	28.8	Very low	28.4	Very low	249 Å²	249	146.2 Å²	146.2	94%	0.94	81%	0.806	S	S	*	*			trans	-71.9	128.1	158.1	-93.5	179.5	168.2	172.9	-3.9	107.7
30	Q	27.3	Very low	27.8	Very low	198 Å²	198	149 Å²	149	93%	0.925	81%	0.814	S	S	*	*			trans	-131.8	151.3	154.2	-75.7	-158.6	-5.8	0	0	111.6
31	V	25.2	Very low	27.9	Very low	128 Å²	128	150 Å²	150	78%	0.776	82%	0.82	S	S	*	*			trans	-113	146.4	-170.6	169.7	0	0	0	0	109.1
32	K	28.2	Very low	28.2	Very low	199 Å²	199	151.5 Å²	151.5	87%	0.865	83%	0.828	S	S	*	*			trans	1.5	117.5	165.1	-60.9	176.5	177.9	179.5	0	116
33	K	26.1	Very low	28.3	Very low	216 Å²	216	151.5 Å²	151.5	94%	0.939	83%	0.829	S	S	*	*			trans	-101.3	134.9	141.6	-114.6	-178.4	178.7	-177.8	0	109
34	K	28.3	Very low	28.4	Very low	206 Å²	206	153.6 Å²	153.6	90%	0.896	83%	0.829	S	S	*	*			trans	-92.4	132.6	178.5	-162.1	-170.9	-175.8	-161.5	0	107.2
35	A	26.6	Very low	28.9	Very low	99 Å²	99	150.9 Å²	150.9	82%	0.818	83%	0.829	S	S	*	*			trans	-129.7	108.6	166.9	0	0	0	0	0	107.7
36	A	27.6	Very low	29.6	Very low	72 Å²	72	144.9 Å²	144.9	60%	0.595	82%	0.822	S	S	*	*			trans	-88	169	144.6	0	0	0	0	0	106.2
37	E	29.9	Very low	30.4	Very low	187 Å²	187	148.1 Å²	148.1	87%	0.874	83%	0.825	S	S	*	*			cis	-156.4	141.8	13.1	-147.9	141.4	-112.3	0	0	108.2
38	A	27.5	Very low	31.3	Very low	105 Å²	105	151 Å²	151	87%	0.868	82%	0.823	S	S	*	*			trans	-161.6	108.5	164.8	0	0	0	0	0	107.1
39	A	32.6	Very low	32.8	Very low	89 Å²	89	155.7 Å²	155.7	74%	0.736	82%	0.821	S	S	*	*			trans	-101.3	134.4	165.3	0	0	0	0	0	107.5
40	D	29.5	Very low	34.4	Very low	168 Å²	168	150.1 Å²	150.1	90%	0.898	80%	0.801	S	S	*	*			trans	-123.5	144.4	151.9	-96	-47.4	0	0	0	105.4
41	D	30.3	Very low	36.7	Very low	156 Å²	156	146 Å²	146	83%	0.834	78%	0.777	S	S	*	*			trans	-80.7	172.4	-158.1	-78.2	-42.6	0	0	0	115.6
42	D	34.1	Very low	39.6	Very low	142 Å²	142	148.3 Å²	148.3	76%	0.759	78%	0.777	S	S	*	*			trans	-44.5	128.6	178.4	-68.1	-58.4	0	0	0	115.2
43	D	33.1	Very low	42.6	Very low	162 Å²	162	140 Å²	140	87%	0.866	74%	0.744	S	S	*	*				-166.3	75.5	125.3	-121.5	-19.1	0	0	0	114.1
44	E	32.8	Very low	45.7	Very low	160 Å²	160	132.9 Å²	132.9	75%	0.748	71%	0.714	S	S	*	*			trans	-159.5	39.5	155.6	-135.6	-177.7	-137.7	0	0	114.1	S46	E44-S46 PolarHBondContact O-N 3.45Å
45	A	35.3	Very low	48.8	Very low	103 Å²	103	125.8 Å²	125.8	85%	0.851	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	30.1	-173.5	0	0	0	0	0	115.3
46	S	41.8	Very low	52	Low	100 Å²	100	125.4 Å²	125.4	70%	0.699	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.2	-12.6	-163.5	58.9	0	0	0	0	118.3	E44	E44-S46 PolarHBondContact O-N 3.45Å
47	E	40.9	Very low	55	Low	177 Å²	177	125.2 Å²	125.2	83%	0.827	69%	0.685	S	S	*	*			trans	-132.9	53.8	-171.2	-144.6	178.3	-107.9	0	0	118.2
48	K	47.1	Very low	58	Low	180 Å²	180	117.5 Å²	117.5	78%	0.783	65%	0.651	S	S	*	*			trans	-128.9	38.5	171.3	-70.9	175.9	-177.1	134.6	0	115	Y50	K48-Y50 VanDerWaalsContact C-N 3.34Å; K48-Y50 PolarHBondContact O-N 2.79Å
49	K	54.9	Low	61.1	Low	173 Å²	173	115.6 Å²	115.6	75%	0.752	63%	0.629	S	S	*	*	S	Bend	trans	-64.3	-28.7	179	-85.1	-178.1	176.1	169.8	0	115
50	Y	62.9	Low	63.8	Low	133 Å²	133	112.4 Å²	112.4	52%	0.522	60%	0.602	S	S	.	*	S	Bend	trans	-130.5	127.8	-179.9	-58	-76.9	0	0	0	111.2	K48 N76	K48-Y50 VanDerWaalsContact C-N 3.34Å; K48-Y50 PolarHBondContact O-N 2.79Å; Y50-N76 WeakPolarHBondContact CE1-O 3.28Å
51	R	76.8	Confident	66.6	Low	110 Å²	110	110.4 Å²	110.4	42%	0.415	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-81.7	126.7	171.1	-168.3	175.5	-176	130.4	-3	108.9	Y78 T79 S80 W82	R51-Y78 HydrophobicContact CB-CD2 4.09Å; R51-Y78 HydrophobicContact CB-CE2 4Å; R51-Y78 HydrophobicContact CG-CE2 4.43Å; R51-Y78 PolarHBondContact NH1-OH 3.47Å; R51-T79 WeakPolarHBondContact CD-O 3.37Å; R51-S80 PolarHBondContact NE-O 2.85Å; R51-S80 PolarHBondContact NH1-O 3.43Å; R51-S80 VanDerWaalsContact NH1-O 3.16Å; R51-S80 PolarHBondContact NH2-O 3.41Å; R51-W82 PolarHBondContact O-NE1 3.46Å
52	K	84.9	Confident	69.4	Low	178 Å²	178	105.7 Å²	105.7	77%	0.774	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-66.7	161.3	176.9	-63.7	-176.3	-179.8	179.6	0	111.7
53	C	91.9	Very high	72.2	Confident	24 Å²	24	99.2 Å²	99.2	16%	0.162	54%	0.541	C	S	.	.	P	Polyproline II helix	trans	-61	153.2	176.9	-175	0	0	0	0	112.8	K55 C58 H90	C53-K55 VanDerWaalsContact C-N 3.32Å; C53-K55 PolarHBondContact O-N 2.76Å; C53-K55 PolarHBondContact SG-N 3.47Å; C53-C58 HydrophobicContact CB-CB 3.96Å; C53-H90 VanDerWaalsContact SG-CD2 3.56Å; C53-H90 PolarHBondContact SG-NE2 3.12Å
54	E	90.5	Very high	75.1	Confident	66 Å²	66	95.3 Å²	95.3	31%	0.308	52%	0.523	S	S	.	.	S	Bend	trans	-70.5	-18.2	173.6	69.8	179.7	172.6	0	0	115.5	R81 W82 Y83 H84 K128	E54-R81 IonicContact OE2-CZ 2.69Å; E54-R81 IonicContact OE2-NE 3.6Å; E54-R81 PolarHBondContact OE2-NE 2.84Å; E54-R81 IonicContact OE2-NH2 2.65Å; E54-R81 PolarHBondContact OE2-NH2 2.93Å; E54-W82 WeakPolarHBondContact CB-O 3.35Å; E54-W82 VanDerWaalsContact CG-O 3.24Å; E54-W82 WeakPolarHBondContact CG-O 3.46Å; E54-Y83 WeakPolarHBondContact OE1-CA 3.23Å; E54-H84 HydrophobicContact CG-CB 4.1Å; E54-H84 PolarHBondContact OE1-N 3.46Å; E54-K128 WeakPolarHBondContact OE1-CE 3.47Å; E54-K128 IonicContact OE1-NZ 2.67Å; E54-K128 PolarHBondContact OE1-NZ 2.84Å
55	K	93.7	Very high	78.2	Confident	57 Å²	57	87.9 Å²	87.9	25%	0.248	49%	0.488	C	S	.	.	S	Bend	trans	-96.8	118.4	-170.3	171	84.1	173	-150.7	0	108.8	C53 C58 H84 M204 I206	C53-K55 VanDerWaalsContact C-N 3.32Å; C53-K55 PolarHBondContact O-N 2.76Å; C53-K55 PolarHBondContact SG-N 3.47Å; K55-C58 HydrophobicContact CB-CB 4.2Å; K55-C58 HydrophobicContact CG-CB 4.33Å; K55-C58 VanDerWaalsContact O-CB 3.23Å; K55-C58 WeakPolarHBondContact O-CB 3.17Å; K55-C58 PolarHBondContact O-N 2.71Å; K55-H84 HydrophobicContact CB-CB 4.11Å; K55-M204 HydrophobicContact CD-CE 4.24Å; K55-M204 WeakPolarHBondContact CE-O 3.41Å; K55-M204 WeakPolarHBondContact CE-SD 3.38Å; K55-M204 HydrophobicContact CG-CE 3.52Å; K55-M204 HydrophobicContact CG-SD 4.4Å; K55-M204 PolarHBondContact NZ-O 3.12Å; K55-I206 HydrophobicContact CD-CD1 4.12Å
56	A	92.9	Very high	81.1	Confident	92 Å²	92	84.2 Å²	84.2	76%	0.76	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	136.9	171.2	0	0	0	0	0	110.5	C58	A56-C58 VanDerWaalsContact C-N 3.33Å
57	G	91	Very high	83.6	Confident	67 Å²	67	79.4 Å²	79.4	69%	0.691	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	0.1	-175.9	0	0	0	0	0	115.8	T59 M204	G57-T59 PolarHBondContact O-N 3.29Å; G57-M204 WeakPolarHBondContact O-CE 3.48Å
58	C	93.4	Very high	86.1	Confident	26 Å²	26	74.1 Å²	74.1	18%	0.176	40%	0.402	C	S	.	.			trans	-70.6	126.5	179	-173.9	0	0	0	0	111.7	C53 K55 A56 A60 H84 M204	C53-C58 HydrophobicContact CB-CB 3.96Å; K55-C58 HydrophobicContact CB-CB 4.2Å; K55-C58 HydrophobicContact CG-CB 4.33Å; K55-C58 VanDerWaalsContact O-CB 3.23Å; K55-C58 WeakPolarHBondContact O-CB 3.17Å; K55-C58 PolarHBondContact O-N 2.71Å; A56-C58 VanDerWaalsContact C-N 3.33Å; C58-A60 VanDerWaalsContact C-N 3.27Å; C58-A60 PolarHBondContact O-N 3.02Å; C58-H84 PolarHBondContact SG-CE1 2.97Å; C58-M204 HydrophobicContact CB-CE 4.01Å; C58-M204 VanDerWaalsContact N-CE 3.34Å
59	T	92.3	Very high	88.2	Confident	65 Å²	65	66.6 Å²	66.6	40%	0.399	37%	0.374	S	S	.	.			trans	-70.5	-16.5	179.1	48.8	0	0	0	0	114	G57 T61 C87 E195 W200	G57-T59 PolarHBondContact O-N 3.29Å; T59-T61 PolarHBondContact O-N 2.8Å; T59-C87 WeakPolarHBondContact OG1-CB 3.35Å; T59-E195 PolarHBondContact OG1-OE2 2.86Å; T59-W200 HydrophobicContact CG2-CH2 3.74Å; T59-W200 HydrophobicContact CG2-CZ2 4.06Å; T59-W200 HydrophobicContact CG2-CZ3 4.34Å
60	A	90.5	Very high	90.1	Very high	21 Å²	21	59.1 Å²	59.1	17%	0.174	34%	0.344	C	S	.	.			trans	-67.9	92.6	-172.7	0	0	0	0	0	113.5	C58 P63 H90	C58-A60 VanDerWaalsContact C-N 3.27Å; C58-A60 PolarHBondContact O-N 3.02Å; A60-P63 HydrophobicContact CB-CG 4.34Å; A60-H90 VanDerWaalsContact CB-CE1 3.45Å; A60-H90 WeakPolarHBondContact CB-CE1 3.39Å
61	T	86.9	Confident	91.5	Very high	127 Å²	127	62 Å²	62	78%	0.779	36%	0.362	S	S	*	.	S	Bend	trans	-67.6	-35.1	175.7	53.9	0	0	0	0	112.9	T59	T59-T61 PolarHBondContact O-N 2.8Å
62	C	89.6	Confident	92.3	Very high	57 Å²	57	67 Å²	67	39%	0.385	38%	0.381	S	S	.	.	S	Bend	trans	-127.8	86.6	175.4	-167.5	0	0	0	0	110.5
63	P	93.2	Very high	92.9	Very high	5 Å²	5	59.4 Å²	59.4	3%	0.032	35%	0.35	C	S	.	.			trans	-66.1	139.7	177.5	-20.3	33.1	0	0	0	112.1	A60 W82 H90	A60-P63 HydrophobicContact CB-CG 4.34Å; P63-W82 HydrophobicContact CB-CD2 3.69Å; P63-W82 HydrophobicContact CB-CE3 4.11Å; P63-W82 HydrophobicContact CB-CG 3.91Å; P63-W82 HydrophobicContact CB-CZ2 4.26Å; P63-W82 HydrophobicContact CG-CD2 4.46Å; P63-W82 HydrophobicContact CG-CG 4.22Å; P63-W82 VanDerWaalsContact O-CZ2 3.27Å; P63-W82 WeakPolarHBondContact O-CZ2 3.47Å; P63-H90 HydrophobicContact CB-CB 4.09Å
64	V	94.6	Very high	93	Very high	81 Å²	81	59.2 Å²	59.2	49%	0.491	35%	0.35	S	S	.	.			trans	-126.2	137.9	178.8	-175.9	0	0	0	0	110	F66 K75 N76	V64-F66 PolarHBondContact O-N 2.99Å; V64-K75 CarbonylContact C-O 3.35Å; V64-K75 WeakPolarHBondContact CA-O 3.31Å; V64-N76 HydrophobicContact CG1-CB 4.42Å; V64-N76 HydrophobicContact CG2-CB 3.95Å
65	C	96.8	Very high	93.1	Very high	4 Å²	4	62.7 Å²	62.7	3%	0.027	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-79.6	102.7	-178	-172.5	0	0	0	0	112.3	A67 S68 C73 K75 W82 H90 C92	C65-A67 PolarHBondContact O-N 2.67Å; C65-S68 PolarHBondContact O-OG 2.64Å; C65-C73 VanDerWaalsContact SG-SG 3.64Å; C65-K75 PolarHBondContact N-O 3.02Å; C65-W82 HydrophobicContact CB-CH2 3.97Å; C65-W82 HydrophobicContact CB-CZ3 3.76Å; C65-H90 WeakPolarHBondContact CA-O 3.46Å; C65-C92 HydrophobicContact CB-CB 4.2Å; C65-C92 PolarHBondContact SG-N 3.13Å; C65-C92 VanDerWaalsContact SG-N 3.42Å; C65-C92 VanDerWaalsContact SG-SG 3.63Å
66	F	96.3	Very high	93.1	Very high	25 Å²	25	64.2 Å²	64.2	11%	0.11	38%	0.375	C	S	.	.	S	Bend	trans	-63.2	-28.3	173.7	66.5	-102.9	0	0	0	112.9	V64 L85 E89 H90 F91 M131 L136	V64-F66 PolarHBondContact O-N 2.99Å; F66-L85 HydrophobicContact CE1-CD2 4.46Å; F66-L85 HydrophobicContact CZ-CD2 4.13Å; F66-E89 HydrophobicContact CD1-CB 4.17Å; F66-E89 HydrophobicContact CE1-CB 4.3Å; F66-H90 WeakPolarHBondContact CD1-O 3.26Å; F66-H90 WeakPolarHBondContact CE1-O 3.32Å; F66-H90 PolarHBondContact N-O 3.03Å; F66-F91 HydrophobicContact CE1-CB 4.13Å; F66-F91 HydrophobicContact CE1-CD1 4.19Å; F66-F91 HydrophobicContact CZ-CB 4.15Å; F66-F91 HydrophobicContact CZ-CD1 4.04Å; F66-F91 HydrophobicContact CZ-CG 4.41Å; F66-M131 HydrophobicContact CE2-CB 4.39Å; F66-M131 HydrophobicContact CE2-SD 4.19Å; F66-M131 HydrophobicContact CZ-CB 4.1Å; F66-M131 HydrophobicContact CZ-SD 4.48Å; F66-L136 HydrophobicContact CD1-CD2 3.62Å; F66-L136 HydrophobicContact CD2-CD2 3.63Å; F66-L136 HydrophobicContact CD2-CG 4.28Å; F66-L136 HydrophobicContact CE1-CD2 3.61Å; F66-L136 HydrophobicContact CE1-CG 4.35Å; F66-L136 HydrophobicContact CE2-CD2 3.62Å; F66-L136 HydrophobicContact CE2-CG 3.86Å; F66-L136 HydrophobicContact CG-CD2 3.66Å; F66-L136 HydrophobicContact CZ-CD2 3.62Å; F66-L136 HydrophobicContact CZ-CG 3.91Å
67	A	93.9	Very high	93	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.352	C	S	.	.			trans	-71.4	-39.6	-166.9	0	0	0	0	0	113	C65 A69 F91 C95 M131 K155	C65-A67 PolarHBondContact O-N 2.67Å; A67-A69 PolarHBondContact O-N 2.94Å; A67-F91 HydrophobicContact CB-CB 4.04Å; A67-C95 HydrophobicContact CB-CB 4.04Å; A67-M131 HydrophobicContact CB-CE 4.09Å; A67-M131 HydrophobicContact CB-SD 3.9Å; A67-K155 WeakPolarHBondContact O-CE 3.13Å; A67-K155 PolarHBondContact O-NZ 2.67Å
68	S	93.3	Very high	93	Very high	65 Å²	65	64.4 Å²	64.4	46%	0.455	35%	0.345	S	S	.	.			trans	33.9	56.1	178.4	-66.4	0	0	0	0	113.2	C65 K155	C65-S68 PolarHBondContact O-OG 2.64Å; S68-K155 PolarHBondContact O-NZ 2.68Å; S68-K155 VanDerWaalsContact O-NZ 3.16Å
69	A	92.6	Very high	93.1	Very high	23 Å²	23	63.2 Å²	63.2	19%	0.19	34%	0.336	C	S	.	.			trans	-111.5	-39.6	-171.7	0	0	0	0	0	112.6	A67 C95 Y99	A67-A69 PolarHBondContact O-N 2.94Å; A69-C95 PolarHBondContact N-SG 2.73Å; A69-Y99 HydrophobicContact CB-CE2 3.59Å; A69-Y99 WeakPolarHBondContact CB-OH 3.39Å
70	A	93.9	Very high	93.1	Very high	15 Å²	15	62.7 Å²	62.7	12%	0.124	34%	0.335	C	S	.	.	S	Bend	trans	-76	141.7	169.2	0	0	0	0	0	110.6	R72 C73 E94 H98	A70-R72 PolarHBondContact O-N 2.74Å; A70-C73 VanDerWaalsContact O-CB 3.24Å; A70-C73 WeakPolarHBondContact O-CB 3.49Å; A70-C73 PolarHBondContact O-N 3.36Å; A70-E94 HydrophobicContact CB-CB 4.43Å; A70-E94 WeakPolarHBondContact CB-O 3.36Å; A70-H98 HydrophobicContact CB-CB 3.91Å
71	E	92.8	Very high	93.3	Very high	195 Å²	195	67.3 Å²	67.3	91%	0.911	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-41.9	169.2	-55.5	179.3	134	0	0	111.5	C73	E71-C73 PolarHBondContact O-N 2.55Å
72	R	94.3	Very high	93.8	Very high	215 Å²	215	61.5 Å²	61.5	81%	0.811	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	32.7	178.1	-56.1	-173.2	-174.9	-166.3	-0.5	112.8	A70 A74 E94	A70-R72 PolarHBondContact O-N 2.74Å; R72-A74 PolarHBondContact O-N 2.77Å; R72-E94 VanDerWaalsContact O-CB 3.29Å; R72-E94 WeakPolarHBondContact O-CB 3.44Å; R72-E94 WeakPolarHBondContact O-CG 3.49Å
73	C	96.2	Very high	94.2	Very high	17 Å²	17	60 Å²	60	12%	0.115	30%	0.298	C	S	.	.			trans	-61.6	129.2	174.6	178.9	0	0	0	0	110.6	C65 A70 E71 K75 C95	C65-C73 VanDerWaalsContact SG-SG 3.64Å; A70-C73 VanDerWaalsContact O-CB 3.24Å; A70-C73 WeakPolarHBondContact O-CB 3.49Å; A70-C73 PolarHBondContact O-N 3.36Å; E71-C73 PolarHBondContact O-N 2.55Å; C73-K75 PolarHBondContact O-N 2.87Å; C73-K75 VanDerWaalsContact O-N 3.14Å; C73-K75 PolarHBondContact SG-N 3.25Å; C73-K75 VanDerWaalsContact SG-N 3.42Å; C73-C95 VanDerWaalsContact SG-SG 3.7Å
74	A	94.3	Very high	94.4	Very high	20 Å²	20	59.7 Å²	59.7	17%	0.165	30%	0.297	C	S	.	.			trans	-63.8	-14.9	178	0	0	0	0	0	114.5	R72 N76 G77 Y78 C92	R72-A74 PolarHBondContact O-N 2.77Å; A74-N76 PolarHBondContact O-N 3.23Å; A74-G77 PolarHBondContact O-N 2.81Å; A74-Y78 WeakPolarHBondContact CB-O 3.45Å; A74-C92 HydrophobicContact CB-CB 3.8Å
75	K	93.6	Very high	94.5	Very high	139 Å²	139	56.4 Å²	56.4	60%	0.604	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	-95.7	-175.8	-61.3	174.9	-176.5	177.3	0	112.2	V64 C65 C73	V64-K75 CarbonylContact C-O 3.35Å; V64-K75 WeakPolarHBondContact CA-O 3.31Å; C65-K75 PolarHBondContact N-O 3.02Å; C73-K75 PolarHBondContact O-N 2.87Å; C73-K75 VanDerWaalsContact O-N 3.14Å; C73-K75 PolarHBondContact SG-N 3.25Å; C73-K75 VanDerWaalsContact SG-N 3.42Å
76	N	92.1	Very high	94.5	Very high	90 Å²	90	56.2 Å²	56.2	48%	0.481	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.3	6.7	175.7	64.8	-26.8	0	0	0	113	Y50 V64 A74	Y50-N76 WeakPolarHBondContact CE1-O 3.28Å; V64-N76 HydrophobicContact CG1-CB 4.42Å; V64-N76 HydrophobicContact CG2-CB 3.95Å; A74-N76 PolarHBondContact O-N 3.23Å
77	G	90.6	Very high	94.5	Very high	26 Å²	26	55.3 Å²	55.3	27%	0.268	27%	0.272	S	S	.	.	S	Bend	trans	-92.7	-160.3	178.7	0	0	0	0	0	113.6	A74	A74-G77 PolarHBondContact O-N 2.81Å
78	Y	92.1	Very high	94.5	Very high	137 Å²	137	55.7 Å²	55.7	54%	0.537	28%	0.276	S	S	.	.			trans	-72.5	141.5	-178.6	-177.3	-93.1	0	0	0	113.1	R51 A74	R51-Y78 HydrophobicContact CB-CD2 4.09Å; R51-Y78 HydrophobicContact CB-CE2 4Å; R51-Y78 HydrophobicContact CG-CE2 4.43Å; R51-Y78 PolarHBondContact NH1-OH 3.47Å; A74-Y78 WeakPolarHBondContact CB-O 3.45Å
79	T	94.8	Very high	94.7	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.006	26%	0.255	C	S	.	.			trans	-141.5	158.4	170.4	177.9	0	0	0	0	109.3	R51 R81 W82 C92 N93 E94	R51-T79 WeakPolarHBondContact CD-O 3.37Å; T79-R81 VanDerWaalsContact C-N 3.25Å; T79-R81 WeakPolarHBondContact CG2-O 3.28Å; T79-R81 PolarHBondContact O-N 3.35Å; T79-R81 PolarHBondContact OG1-O 2.86Å; T79-W82 HydrophobicContact CG2-CD2 3.64Å; T79-W82 VanDerWaalsContact CG2-CE2 3.47Å; T79-W82 HydrophobicContact CG2-CE3 4.24Å; T79-W82 HydrophobicContact CG2-CG 3.92Å; T79-W82 HydrophobicContact CG2-CH2 4.48Å; T79-W82 HydrophobicContact CG2-CZ2 3.92Å; T79-C92 HydrophobicContact CG2-CB 3.91Å; T79-N93 WeakPolarHBondContact OG1-CB 3.31Å; T79-N93 PolarHBondContact OG1-N 3.22Å; T79-E94 WeakPolarHBondContact CB-OE1 3.46Å; T79-E94 PolarHBondContact OG1-OE1 2.98Å; T79-E94 PolarHBondContact OG1-OE2 2.84Å
80	S	93.3	Very high	95	Very high	54 Å²	54	51.9 Å²	51.9	38%	0.378	25%	0.247	S	C	.	.	S	Bend	trans	-67.9	-21.9	176.7	63	0	0	0	0	113.7	R51 N93	R51-S80 PolarHBondContact NE-O 2.85Å; R51-S80 PolarHBondContact NH1-O 3.43Å; R51-S80 VanDerWaalsContact NH1-O 3.16Å; R51-S80 PolarHBondContact NH2-O 3.41Å; S80-N93 WeakPolarHBondContact OG-CB 3.37Å; S80-N93 PolarHBondContact OG-ND2 3.11Å
81	R	94.9	Very high	95.2	Very high	118 Å²	118	51.2 Å²	51.2	45%	0.445	24%	0.241	S	C	.	.			trans	-160	134.1	173.9	-174.4	169.6	-179.4	160.4	2.2	111.8	E54 T79 Y83 N93	E54-R81 IonicContact OE2-CZ 2.69Å; E54-R81 IonicContact OE2-NE 3.6Å; E54-R81 PolarHBondContact OE2-NE 2.84Å; E54-R81 IonicContact OE2-NH2 2.65Å; E54-R81 PolarHBondContact OE2-NH2 2.93Å; T79-R81 VanDerWaalsContact C-N 3.25Å; T79-R81 WeakPolarHBondContact CG2-O 3.28Å; T79-R81 PolarHBondContact O-N 3.35Å; T79-R81 PolarHBondContact OG1-O 2.86Å; R81-Y83 HydrophobicContact CB-CD2 4.32Å; R81-Y83 HydrophobicContact CB-CE2 3.84Å; R81-Y83 HydrophobicContact CG-CD2 4.05Å; R81-Y83 HydrophobicContact CG-CE2 3.78Å; R81-N93 HydrophobicContact CB-CB 4.24Å; R81-N93 PolarHBondContact O-N 2.71Å
82	W	96.7	Very high	95.4	Very high	5 Å²	5	41.9 Å²	41.9	2%	0.019	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	116.9	165.2	-77.5	117.4	0	0	0	110.2	R51 E54 P63 C65 T79 H90 C92	R51-W82 PolarHBondContact O-NE1 3.46Å; E54-W82 WeakPolarHBondContact CB-O 3.35Å; E54-W82 VanDerWaalsContact CG-O 3.24Å; E54-W82 WeakPolarHBondContact CG-O 3.46Å; P63-W82 HydrophobicContact CB-CD2 3.69Å; P63-W82 HydrophobicContact CB-CE3 4.11Å; P63-W82 HydrophobicContact CB-CG 3.91Å; P63-W82 HydrophobicContact CB-CZ2 4.26Å; P63-W82 HydrophobicContact CG-CD2 4.46Å; P63-W82 HydrophobicContact CG-CG 4.22Å; P63-W82 VanDerWaalsContact O-CZ2 3.27Å; P63-W82 WeakPolarHBondContact O-CZ2 3.47Å; C65-W82 HydrophobicContact CB-CH2 3.97Å; C65-W82 HydrophobicContact CB-CZ3 3.76Å; T79-W82 HydrophobicContact CG2-CD2 3.64Å; T79-W82 VanDerWaalsContact CG2-CE2 3.47Å; T79-W82 HydrophobicContact CG2-CE3 4.24Å; T79-W82 HydrophobicContact CG2-CG 3.92Å; T79-W82 HydrophobicContact CG2-CH2 4.48Å; T79-W82 HydrophobicContact CG2-CZ2 3.92Å; W82-H90 HydrophobicContact CE3-CB 3.9Å; W82-H90 HydrophobicContact CZ3-CB 4.35Å; W82-C92 HydrophobicContact CE3-CB 4.19Å; W82-C92 HydrophobicContact CH2-CB 4Å; W82-C92 HydrophobicContact CZ3-CB 3.72Å
83	Y	97.5	Very high	95.6	Very high	24 Å²	24	32.9 Å²	32.9	9%	0.094	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	120.5	175.1	-70.1	-101.2	0	0	0	109.5	E54 R81 H90 F91 N93 F96	E54-Y83 WeakPolarHBondContact OE1-CA 3.23Å; R81-Y83 HydrophobicContact CB-CD2 4.32Å; R81-Y83 HydrophobicContact CB-CE2 3.84Å; R81-Y83 HydrophobicContact CG-CD2 4.05Å; R81-Y83 HydrophobicContact CG-CE2 3.78Å; Y83-H90 WeakPolarHBondContact O-CA 3.46Å; Y83-F91 VanDerWaalsContact CB-CZ 3.47Å; Y83-F91 HydrophobicContact CD1-CZ 4.16Å; Y83-F91 HydrophobicContact CD2-CE2 4.35Å; Y83-F91 HydrophobicContact CG-CD2 4.5Å; Y83-F91 HydrophobicContact CG-CE1 4.24Å; Y83-F91 HydrophobicContact CG-CE2 4.02Å; Y83-F91 AromaticContact CG-CZ 3.87Å; Y83-F91 HydrophobicContact CG-CZ 3.87Å; Y83-F91 PolarHBondContact N-O 3.1Å; Y83-F91 PolarHBondContact O-N 3.25Å; Y83-N93 HydrophobicContact CE2-CB 4.16Å; Y83-F96 AromaticContact CD1-CD2 3.78Å; Y83-F96 HydrophobicContact CD1-CD2 3.78Å; Y83-F96 HydrophobicContact CD1-CE2 4.13Å; Y83-F96 HydrophobicContact CD1-CG 4.5Å; Y83-F96 HydrophobicContact CD2-CB 4.01Å; Y83-F96 HydrophobicContact CD2-CD2 4.34Å; Y83-F96 HydrophobicContact CD2-CG 4.32Å; Y83-F96 HydrophobicContact CE1-CD1 4.45Å; Y83-F96 AromaticContact CE1-CD2 3.33Å; Y83-F96 HydrophobicContact CE1-CD2 3.33Å; Y83-F96 AromaticContact CE1-CE2 3.42Å; Y83-F96 HydrophobicContact CE1-CE2 3.42Å; Y83-F96 VanDerWaalsContact CE1-CE2 3.42Å; Y83-F96 AromaticContact CE1-CG 3.9Å; Y83-F96 HydrophobicContact CE1-CG 3.9Å; Y83-F96 HydrophobicContact CE1-CZ 4.06Å; Y83-F96 HydrophobicContact CE2-CB 3.69Å; Y83-F96 HydrophobicContact CE2-CD1 4.26Å; Y83-F96 AromaticContact CE2-CD2 3.98Å; Y83-F96 HydrophobicContact CE2-CD2 3.98Å; Y83-F96 AromaticContact CE2-CG 3.73Å; Y83-F96 HydrophobicContact CE2-CG 3.73Å; Y83-F96 HydrophobicContact CG-CD2 4.26Å; Y83-F96 AromaticContact CZ-CD1 3.8Å; Y83-F96 AromaticContact CZ-CD2 3.44Å; Y83-F96 VanDerWaalsContact CZ-CD2 3.44Å; Y83-F96 AromaticContact CZ-CE2 3.77Å; Y83-F96 AromaticContact CZ-CG 3.47Å; Y83-F96 VanDerWaalsContact CZ-CG 3.47Å; Y83-F96 WeakPolarHBondContact OH-CD1 3.21Å; Y83-F96 WeakPolarHBondContact OH-CE1 3.05Å
84	H	97.9	Very high	95.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	135.9	-174.6	-177.8	81.8	0	0	0	112.2	E54 K55 C58 S86 H90 K128 M204	E54-H84 HydrophobicContact CG-CB 4.1Å; E54-H84 PolarHBondContact OE1-N 3.46Å; K55-H84 HydrophobicContact CB-CB 4.11Å; C58-H84 PolarHBondContact SG-CE1 2.97Å; H84-S86 PolarHBondContact CE1-O 2.64Å; H84-S86 VanDerWaalsContact CE1-O 3.25Å; H84-S86 PolarHBondContact ND1-O 3.25Å; H84-H90 AromaticContact CE1-NE2 3.91Å; H84-H90 AromaticContact CG-NE2 3.87Å; H84-H90 AromaticContact ND1-CD2 3.73Å; H84-H90 AromaticContact ND1-CE1 3.59Å; H84-H90 AromaticContact ND1-NE2 2.93Å; H84-H90 PolarHBondContact ND1-NE2 3.11Å; H84-K128 VanDerWaalsContact O-CE 3.31Å; H84-K128 WeakPolarHBondContact O-CE 3.38Å; H84-K128 PolarHBondContact O-NZ 3.03Å; H84-M204 PolarHBondContact NE2-O 3.32Å
85	L	97.3	Very high	95.8	Very high	11 Å²	11	33.5 Å²	33.5	6%	0.058	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-48.7	167	-95.8	68.8	0	0	0	111.4	F66 E89 F91 K128 M131 A132 L136 I206	F66-L85 HydrophobicContact CE1-CD2 4.46Å; F66-L85 HydrophobicContact CZ-CD2 4.13Å; L85-E89 HydrophobicContact CB-CB 4.45Å; L85-E89 PolarHBondContact N-O 2.97Å; L85-F91 HydrophobicContact CD1-CD1 3.81Å; L85-F91 HydrophobicContact CD1-CE1 3.45Å; L85-F91 VanDerWaalsContact CD1-CE1 3.45Å; L85-K128 HydrophobicContact CD1-CB 4.23Å; L85-K128 HydrophobicContact CD1-CD 4.34Å; L85-K128 HydrophobicContact CD1-CG 4.13Å; L85-M131 HydrophobicContact CD2-CB 4.29Å; L85-A132 HydrophobicContact CD2-CB 3.8Å; L85-L136 HydrophobicContact CD2-CD1 3.67Å; L85-L136 HydrophobicContact CD2-CG 4.06Å; L85-I206 PolarHBondContact O-N 3.16Å
86	S	97	Very high	96	Very high	1 Å²	1	28 Å²	28	1%	0.007	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	170.5	172.4	77.6	0	0	0	0	108.6	H84 G88 E89 H90	H84-S86 PolarHBondContact CE1-O 2.64Å; H84-S86 VanDerWaalsContact CE1-O 3.25Å; H84-S86 PolarHBondContact ND1-O 3.25Å; S86-G88 PolarHBondContact O-N 3.41Å; S86-E89 PolarHBondContact N-O 2.94Å; S86-E89 PolarHBondContact O-N 2.79Å; S86-E89 VanDerWaalsContact O-O 3.12Å; S86-E89 WeakPolarHBondContact OG-CB 3.44Å; S86-E89 PolarHBondContact OG-N 2.72Å; S86-E89 PolarHBondContact OG-OE2 2.91Å; S86-H90 PolarHBondContact O-CE1 3Å
87	C	94.7	Very high	96.2	Very high	5 Å²	5	25.2 Å²	25.2	3%	0.034	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-26.9	-179.4	-69.8	0	0	0	0	113.6	T59 H90 W200	T59-C87 WeakPolarHBondContact OG1-CB 3.35Å; C87-H90 PolarHBondContact O-CE1 2.88Å; C87-H90 VanDerWaalsContact O-CE1 3.28Å; C87-W200 HydrophobicContact CB-CH2 4.23Å; C87-W200 HydrophobicContact CB-CZ3 4.15Å
88	G	95.3	Very high	96.5	Very high	9 Å²	9	25 Å²	25	9%	0.093	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-6.4	172.2	0	0	0	0	0	115.4	S86 R192	S86-G88 PolarHBondContact O-N 3.41Å; G88-R192 WeakPolarHBondContact O-CD 3.47Å; G88-R192 PolarHBondContact O-NH1 2.83Å
89	E	97.9	Very high	96.8	Very high	5 Å²	5	19 Å²	19	2%	0.023	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	108.8	-162.5	-66.3	165.7	137.8	0	0	113.5	F66 L85 S86 L136 G337 L338	F66-E89 HydrophobicContact CD1-CB 4.17Å; F66-E89 HydrophobicContact CE1-CB 4.3Å; L85-E89 HydrophobicContact CB-CB 4.45Å; L85-E89 PolarHBondContact N-O 2.97Å; S86-E89 PolarHBondContact N-O 2.94Å; S86-E89 PolarHBondContact O-N 2.79Å; S86-E89 VanDerWaalsContact O-O 3.12Å; S86-E89 WeakPolarHBondContact OG-CB 3.44Å; S86-E89 PolarHBondContact OG-N 2.72Å; S86-E89 PolarHBondContact OG-OE2 2.91Å; E89-L136 HydrophobicContact CB-CD2 4.12Å; E89-L136 HydrophobicContact CG-CD2 4.01Å; E89-G337 WeakPolarHBondContact OE1-CA 3.34Å; E89-L338 HydrophobicContact CG-CD1 3.99Å; E89-L338 HydrophobicContact CG-CG 4.33Å; E89-L338 PolarHBondContact OE1-N 3.28Å; E89-L338 PolarHBondContact OE2-N 3.38Å
90	H	97.9	Very high	96.8	Very high	3 Å²	3	24.1 Å²	24.1	1%	0.014	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	155.5	-177.7	-63.1	80.7	0	0	0	111.5	C53 A60 P63 C65 F66 W82 Y83 H84 S86 C87	C53-H90 VanDerWaalsContact SG-CD2 3.56Å; C53-H90 PolarHBondContact SG-NE2 3.12Å; A60-H90 VanDerWaalsContact CB-CE1 3.45Å; A60-H90 WeakPolarHBondContact CB-CE1 3.39Å; P63-H90 HydrophobicContact CB-CB 4.09Å; C65-H90 WeakPolarHBondContact CA-O 3.46Å; F66-H90 WeakPolarHBondContact CD1-O 3.26Å; F66-H90 WeakPolarHBondContact CE1-O 3.32Å; F66-H90 PolarHBondContact N-O 3.03Å; W82-H90 HydrophobicContact CE3-CB 3.9Å; W82-H90 HydrophobicContact CZ3-CB 4.35Å; Y83-H90 WeakPolarHBondContact O-CA 3.46Å; H84-H90 AromaticContact CE1-NE2 3.91Å; H84-H90 AromaticContact CG-NE2 3.87Å; H84-H90 AromaticContact ND1-CD2 3.73Å; H84-H90 AromaticContact ND1-CE1 3.59Å; H84-H90 AromaticContact ND1-NE2 2.93Å; H84-H90 PolarHBondContact ND1-NE2 3.11Å; S86-H90 PolarHBondContact O-CE1 3Å; C87-H90 PolarHBondContact O-CE1 2.88Å; C87-H90 VanDerWaalsContact O-CE1 3.28Å
91	F	97.8	Very high	96.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	146.8	167.9	68.9	-78.2	0	0	0	112.5	F66 A67 Y83 L85 F96 K128 M131	F66-F91 HydrophobicContact CE1-CB 4.13Å; F66-F91 HydrophobicContact CE1-CD1 4.19Å; F66-F91 HydrophobicContact CZ-CB 4.15Å; F66-F91 HydrophobicContact CZ-CD1 4.04Å; F66-F91 HydrophobicContact CZ-CG 4.41Å; A67-F91 HydrophobicContact CB-CB 4.04Å; Y83-F91 VanDerWaalsContact CB-CZ 3.47Å; Y83-F91 HydrophobicContact CD1-CZ 4.16Å; Y83-F91 HydrophobicContact CD2-CE2 4.35Å; Y83-F91 HydrophobicContact CG-CD2 4.5Å; Y83-F91 HydrophobicContact CG-CE1 4.24Å; Y83-F91 HydrophobicContact CG-CE2 4.02Å; Y83-F91 AromaticContact CG-CZ 3.87Å; Y83-F91 HydrophobicContact CG-CZ 3.87Å; Y83-F91 PolarHBondContact N-O 3.1Å; Y83-F91 PolarHBondContact O-N 3.25Å; L85-F91 HydrophobicContact CD1-CD1 3.81Å; L85-F91 HydrophobicContact CD1-CE1 3.45Å; L85-F91 VanDerWaalsContact CD1-CE1 3.45Å; F91-F96 HydrophobicContact CD2-CB 4.17Å; F91-F96 HydrophobicContact CE2-CB 3.68Å; F91-F96 AromaticContact CE2-CD2 3.88Å; F91-F96 HydrophobicContact CE2-CD2 3.88Å; F91-F96 HydrophobicContact CE2-CG 4.28Å; F91-F96 HydrophobicContact CZ-CD2 4.21Å; F91-K128 HydrophobicContact CE1-CG 4.27Å; F91-K128 HydrophobicContact CZ-CG 4.35Å; F91-M131 HydrophobicContact CD1-CG 4.17Å; F91-M131 HydrophobicContact CD2-CE 3.64Å; F91-M131 HydrophobicContact CD2-CG 4.24Å; F91-M131 HydrophobicContact CD2-SD 4.4Å; F91-M131 HydrophobicContact CE1-CB 4.26Å; F91-M131 HydrophobicContact CE1-CG 3.9Å; F91-M131 HydrophobicContact CE2-CE 3.76Å; F91-M131 HydrophobicContact CE2-CG 3.93Å; F91-M131 HydrophobicContact CG-CE 4.28Å; F91-M131 HydrophobicContact CG-CG 4.33Å; F91-M131 HydrophobicContact CZ-CG 3.77Å
92	C	97.6	Very high	97	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	158.2	-174.8	70.3	0	0	0	0	111.7	C65 A74 T79 W82 E94 C95 F96	C65-C92 HydrophobicContact CB-CB 4.2Å; C65-C92 PolarHBondContact SG-N 3.13Å; C65-C92 VanDerWaalsContact SG-N 3.42Å; C65-C92 VanDerWaalsContact SG-SG 3.63Å; A74-C92 HydrophobicContact CB-CB 3.8Å; T79-C92 HydrophobicContact CG2-CB 3.91Å; W82-C92 HydrophobicContact CE3-CB 4.19Å; W82-C92 HydrophobicContact CH2-CB 4Å; W82-C92 HydrophobicContact CZ3-CB 3.72Å; C92-E94 WeakPolarHBondContact CB-OE2 3.29Å; C92-E94 PolarHBondContact O-N 3.18Å; C92-E94 PolarHBondContact SG-OE2 3.04Å; C92-C95 PolarHBondContact O-N 3.45Å; C92-F96 PolarHBondContact O-N 3.42Å
93	N	97.2	Very high	96.8	Very high	25 Å²	25	31.8 Å²	31.8	13%	0.134	15%	0.154	C	C	.	.	H	α-helix	trans	-59.2	-31.8	-177.2	-177.1	88.2	0	0	0	112.7	T79 S80 R81 Y83 C95 F96 D97	T79-N93 WeakPolarHBondContact OG1-CB 3.31Å; T79-N93 PolarHBondContact OG1-N 3.22Å; S80-N93 WeakPolarHBondContact OG-CB 3.37Å; S80-N93 PolarHBondContact OG-ND2 3.11Å; R81-N93 HydrophobicContact CB-CB 4.24Å; R81-N93 PolarHBondContact O-N 2.71Å; Y83-N93 HydrophobicContact CE2-CB 4.16Å; N93-C95 VanDerWaalsContact C-N 3.29Å; N93-C95 PolarHBondContact O-N 3.03Å; N93-F96 WeakPolarHBondContact O-CB 3.43Å; N93-F96 PolarHBondContact O-N 2.92Å; N93-F96 VanDerWaalsContact O-N 3.14Å; N93-D97 PolarHBondContact ND2-OD2 3.49Å; N93-D97 PolarHBondContact O-N 3.07Å
94	E	97.5	Very high	96.8	Very high	50 Å²	50	35 Å²	35	23%	0.234	17%	0.168	C	C	.	.	H	α-helix	trans	-69.2	-32.7	-179.4	-51.7	71.8	-144.2	0	0	110.7	A70 R72 T79 C92 H98	A70-E94 HydrophobicContact CB-CB 4.43Å; A70-E94 WeakPolarHBondContact CB-O 3.36Å; R72-E94 VanDerWaalsContact O-CB 3.29Å; R72-E94 WeakPolarHBondContact O-CB 3.44Å; R72-E94 WeakPolarHBondContact O-CG 3.49Å; T79-E94 WeakPolarHBondContact CB-OE1 3.46Å; T79-E94 PolarHBondContact OG1-OE1 2.98Å; T79-E94 PolarHBondContact OG1-OE2 2.84Å; C92-E94 WeakPolarHBondContact CB-OE2 3.29Å; C92-E94 PolarHBondContact O-N 3.18Å; C92-E94 PolarHBondContact SG-OE2 3.04Å; E94-H98 WeakPolarHBondContact O-CB 3.45Å; E94-H98 PolarHBondContact O-N 3.45Å; E94-H98 VanDerWaalsContact O-N 3.17Å
95	C	97.4	Very high	96.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-80.4	-24.4	170.7	-70.2	0	0	0	0	113.2	A67 A69 C73 C92 N93 Y99 M131	A67-C95 HydrophobicContact CB-CB 4.04Å; A69-C95 PolarHBondContact N-SG 2.73Å; C73-C95 VanDerWaalsContact SG-SG 3.7Å; C92-C95 PolarHBondContact O-N 3.45Å; N93-C95 VanDerWaalsContact C-N 3.29Å; N93-C95 PolarHBondContact O-N 3.03Å; C95-Y99 WeakPolarHBondContact O-CD2 3.46Å; C95-M131 WeakPolarHBondContact O-CE 3.36Å
96	F	97.8	Very high	96.4	Very high	23 Å²	23	40.8 Å²	40.8	10%	0.101	20%	0.2	C	C	.	.	H	α-helix	trans	-64.9	-54.1	167.1	174.4	-89.6	0	0	0	110.4	Y83 F91 C92 N93 H98 Y99 Y100 P127	Y83-F96 AromaticContact CD1-CD2 3.78Å; Y83-F96 HydrophobicContact CD1-CD2 3.78Å; Y83-F96 HydrophobicContact CD1-CE2 4.13Å; Y83-F96 HydrophobicContact CD1-CG 4.5Å; Y83-F96 HydrophobicContact CD2-CB 4.01Å; Y83-F96 HydrophobicContact CD2-CD2 4.34Å; Y83-F96 HydrophobicContact CD2-CG 4.32Å; Y83-F96 HydrophobicContact CE1-CD1 4.45Å; Y83-F96 AromaticContact CE1-CD2 3.33Å; Y83-F96 HydrophobicContact CE1-CD2 3.33Å; Y83-F96 AromaticContact CE1-CE2 3.42Å; Y83-F96 HydrophobicContact CE1-CE2 3.42Å; Y83-F96 VanDerWaalsContact CE1-CE2 3.42Å; Y83-F96 AromaticContact CE1-CG 3.9Å; Y83-F96 HydrophobicContact CE1-CG 3.9Å; Y83-F96 HydrophobicContact CE1-CZ 4.06Å; Y83-F96 HydrophobicContact CE2-CB 3.69Å; Y83-F96 HydrophobicContact CE2-CD1 4.26Å; Y83-F96 AromaticContact CE2-CD2 3.98Å; Y83-F96 HydrophobicContact CE2-CD2 3.98Å; Y83-F96 AromaticContact CE2-CG 3.73Å; Y83-F96 HydrophobicContact CE2-CG 3.73Å; Y83-F96 HydrophobicContact CG-CD2 4.26Å; Y83-F96 AromaticContact CZ-CD1 3.8Å; Y83-F96 AromaticContact CZ-CD2 3.44Å; Y83-F96 VanDerWaalsContact CZ-CD2 3.44Å; Y83-F96 AromaticContact CZ-CE2 3.77Å; Y83-F96 AromaticContact CZ-CG 3.47Å; Y83-F96 VanDerWaalsContact CZ-CG 3.47Å; Y83-F96 WeakPolarHBondContact OH-CD1 3.21Å; Y83-F96 WeakPolarHBondContact OH-CE1 3.05Å; F91-F96 HydrophobicContact CD2-CB 4.17Å; F91-F96 HydrophobicContact CE2-CB 3.68Å; F91-F96 AromaticContact CE2-CD2 3.88Å; F91-F96 HydrophobicContact CE2-CD2 3.88Å; F91-F96 HydrophobicContact CE2-CG 4.28Å; F91-F96 HydrophobicContact CZ-CD2 4.21Å; C92-F96 PolarHBondContact O-N 3.42Å; N93-F96 WeakPolarHBondContact O-CB 3.43Å; N93-F96 PolarHBondContact O-N 2.92Å; N93-F96 VanDerWaalsContact O-N 3.14Å; F96-H98 VanDerWaalsContact C-N 3.3Å; F96-H98 PolarHBondContact O-N 3.43Å; F96-Y99 PolarHBondContact O-N 2.64Å; F96-Y100 HydrophobicContact CD1-CD1 4.34Å; F96-Y100 HydrophobicContact CD1-CG 4.4Å; F96-Y100 AromaticContact CE1-CD1 3.39Å; F96-Y100 HydrophobicContact CE1-CD1 3.39Å; F96-Y100 HydrophobicContact CE1-CD2 4.47Å; F96-Y100 HydrophobicContact CE1-CE1 4.06Å; F96-Y100 AromaticContact CE1-CG 3.63Å; F96-Y100 HydrophobicContact CE1-CG 3.63Å; F96-Y100 AromaticContact CZ-CD1 3.74Å; F96-Y100 HydrophobicContact CZ-CD1 3.74Å; F96-Y100 HydrophobicContact CZ-CD2 4.09Å; F96-Y100 HydrophobicContact CZ-CE1 4.15Å; F96-Y100 HydrophobicContact CZ-CE2 4.46Å; F96-Y100 AromaticContact CZ-CG 3.7Å; F96-Y100 HydrophobicContact CZ-CG 3.7Å; F96-Y100 VanDerWaalsContact O-CB 3.25Å; F96-Y100 WeakPolarHBondContact O-CB 3.36Å; F96-Y100 PolarHBondContact O-N 2.8Å; F96-P127 HydrophobicContact CD2-CB 3.93Å; F96-P127 HydrophobicContact CD2-CG 4.4Å; F96-P127 HydrophobicContact CE2-CB 3.65Å; F96-P127 HydrophobicContact CE2-CG 3.66Å; F96-P127 HydrophobicContact CZ-CG 4.17Å
97	D	97.3	Very high	96.3	Very high	32 Å²	32	44.6 Å²	44.6	17%	0.171	22%	0.215	C	C	.	.	H	α-helix	trans	-64.1	-32.2	-177.2	-78.6	-38.7	0	0	0	112.5	N93 Y99 Y100 R101	N93-D97 PolarHBondContact ND2-OD2 3.49Å; N93-D97 PolarHBondContact O-N 3.07Å; D97-Y99 VanDerWaalsContact C-N 3.25Å; D97-Y99 PolarHBondContact O-N 3.32Å; D97-Y100 PolarHBondContact O-N 3.43Å; D97-R101 HydrophobicContact CB-CG 3.86Å; D97-R101 WeakPolarHBondContact O-CB 3.34Å; D97-R101 WeakPolarHBondContact O-CG 3.38Å; D97-R101 PolarHBondContact O-N 3.04Å; D97-R101 IonicContact OD1-CZ 3.67Å; D97-R101 VanDerWaalsContact OD1-CZ 3.28Å; D97-R101 IonicContact OD1-NE 3.37Å; D97-R101 PolarHBondContact OD1-NE 3.28Å; D97-R101 IonicContact OD1-NH2 3.19Å; D97-R101 PolarHBondContact OD1-NH2 2.71Å
98	H	97.5	Very high	96.4	Very high	21 Å²	21	51.8 Å²	51.8	10%	0.097	25%	0.248	C	C	.	.	H	α-helix	trans	-59.2	-30.2	175.8	168.7	89	0	0	0	114.1	A70 E94 F96 K104 D105 G106	A70-H98 HydrophobicContact CB-CB 3.91Å; E94-H98 WeakPolarHBondContact O-CB 3.45Å; E94-H98 PolarHBondContact O-N 3.45Å; E94-H98 VanDerWaalsContact O-N 3.17Å; F96-H98 VanDerWaalsContact C-N 3.3Å; F96-H98 PolarHBondContact O-N 3.43Å; H98-K104 VanDerWaalsContact O-CB 3.25Å; H98-K104 WeakPolarHBondContact O-CB 3.44Å; H98-D105 IonicContact CE1-OD2 3.28Å; H98-D105 PolarHBondContact CE1-OD2 2.88Å; H98-D105 VanDerWaalsContact CE1-OD2 3.28Å; H98-D105 IonicContact ND1-OD2 2.95Å; H98-D105 PolarHBondContact ND1-OD2 2.69Å; H98-G106 PolarHBondContact CE1-N 3.1Å; H98-G106 CarbonylContact O-C 3.59Å; H98-G106 VanDerWaalsContact O-CA 3.24Å; H98-G106 WeakPolarHBondContact O-CA 3.29Å; H98-G106 PolarHBondContact O-N 2.96Å
99	Y	97.1	Very high	96.4	Very high	11 Å²	11	56.2 Å²	56.2	4%	0.043	26%	0.264	C	S	.	.	H	α-helix	trans	-99.5	-28.5	173.9	-68.3	-70.4	0	0	0	113.1	A69 C95 F96 D97 G106 K109 Y110 F130 M131 Q135	A69-Y99 HydrophobicContact CB-CE2 3.59Å; A69-Y99 WeakPolarHBondContact CB-OH 3.39Å; C95-Y99 WeakPolarHBondContact O-CD2 3.46Å; F96-Y99 PolarHBondContact O-N 2.64Å; D97-Y99 VanDerWaalsContact C-N 3.25Å; D97-Y99 PolarHBondContact O-N 3.32Å; Y99-G106 WeakPolarHBondContact CD1-O 3.39Å; Y99-K109 HydrophobicContact CE1-CD 4.31Å; Y99-Y110 WeakPolarHBondContact O-CB 3.34Å; Y99-Y110 WeakPolarHBondContact O-CD1 3.13Å; Y99-F130 HydrophobicContact CD1-CD1 4.36Å; Y99-F130 AromaticContact CD1-CE1 3.36Å; Y99-F130 HydrophobicContact CD1-CE1 3.36Å; Y99-F130 AromaticContact CD1-CZ 3.7Å; Y99-F130 HydrophobicContact CD1-CZ 3.7Å; Y99-F130 HydrophobicContact CD2-CD1 4.49Å; Y99-F130 AromaticContact CD2-CE1 3.88Å; Y99-F130 HydrophobicContact CD2-CE1 3.88Å; Y99-F130 AromaticContact CE1-CE1 3.54Å; Y99-F130 HydrophobicContact CE1-CE1 3.54Å; Y99-F130 AromaticContact CE1-CZ 3.68Å; Y99-F130 HydrophobicContact CE1-CZ 3.68Å; Y99-F130 AromaticContact CE2-CE1 3.99Å; Y99-F130 HydrophobicContact CE2-CE1 3.99Å; Y99-F130 HydrophobicContact CG-CD1 4.21Å; Y99-F130 AromaticContact CG-CE1 3.56Å; Y99-F130 HydrophobicContact CG-CE1 3.56Å; Y99-F130 HydrophobicContact CG-CZ 4.34Å; Y99-F130 AromaticContact CZ-CE1 3.84Å; Y99-M131 HydrophobicContact CD2-CE 3.39Å; Y99-M131 HydrophobicContact CD2-SD 4.48Å; Y99-M131 HydrophobicContact CE2-CE 3.69Å; Y99-M131 HydrophobicContact CE2-SD 4.38Å; Y99-Q135 HydrophobicContact CE2-CG 4.14Å; Y99-Q135 PolarHBondContact OH-OE1 3.41Å; Y99-Q135 VanDerWaalsContact OH-OE1 3.11Å
100	Y	95.8	Very high	96.4	Very high	110 Å²	110	56.5 Å²	56.5	43%	0.431	27%	0.265	S	S	.	.	H	α-helix	trans	-87.5	-25.3	-172.8	-173	-110.8	0	0	0	114.5	F96 D97 Y110 P127	F96-Y100 HydrophobicContact CD1-CD1 4.34Å; F96-Y100 HydrophobicContact CD1-CG 4.4Å; F96-Y100 AromaticContact CE1-CD1 3.39Å; F96-Y100 HydrophobicContact CE1-CD1 3.39Å; F96-Y100 HydrophobicContact CE1-CD2 4.47Å; F96-Y100 HydrophobicContact CE1-CE1 4.06Å; F96-Y100 AromaticContact CE1-CG 3.63Å; F96-Y100 HydrophobicContact CE1-CG 3.63Å; F96-Y100 AromaticContact CZ-CD1 3.74Å; F96-Y100 HydrophobicContact CZ-CD1 3.74Å; F96-Y100 HydrophobicContact CZ-CD2 4.09Å; F96-Y100 HydrophobicContact CZ-CE1 4.15Å; F96-Y100 HydrophobicContact CZ-CE2 4.46Å; F96-Y100 AromaticContact CZ-CG 3.7Å; F96-Y100 HydrophobicContact CZ-CG 3.7Å; F96-Y100 VanDerWaalsContact O-CB 3.25Å; F96-Y100 WeakPolarHBondContact O-CB 3.36Å; F96-Y100 PolarHBondContact O-N 2.8Å; D97-Y100 PolarHBondContact O-N 3.43Å; Y100-Y110 HydrophobicContact CD2-CE1 4.44Å; Y100-P127 HydrophobicContact CD2-CG 3.62Å; Y100-P127 HydrophobicContact CE2-CG 4.16Å; Y100-P127 HydrophobicContact CG-CG 4.41Å
101	R	95.9	Very high	96.3	Very high	110 Å²	110	58.1 Å²	58.1	42%	0.415	28%	0.276	S	S	.	.	S	Bend	trans	-97.4	131.8	-176.3	-57.3	-60.7	176.9	154.3	8.2	112	D97 H103 K104 Y107	D97-R101 HydrophobicContact CB-CG 3.86Å; D97-R101 WeakPolarHBondContact O-CB 3.34Å; D97-R101 WeakPolarHBondContact O-CG 3.38Å; D97-R101 PolarHBondContact O-N 3.04Å; D97-R101 IonicContact OD1-CZ 3.67Å; D97-R101 VanDerWaalsContact OD1-CZ 3.28Å; D97-R101 IonicContact OD1-NE 3.37Å; D97-R101 PolarHBondContact OD1-NE 3.28Å; D97-R101 IonicContact OD1-NH2 3.19Å; D97-R101 PolarHBondContact OD1-NH2 2.71Å; R101-H103 PolarHBondContact O-N 2.92Å; R101-K104 HydrophobicContact CB-CG 4.04Å; R101-K104 WeakPolarHBondContact O-CB 3.42Å; R101-K104 PolarHBondContact O-N 3.01Å; R101-Y107 WeakPolarHBondContact O-CB 3.46Å
102	S	95.1	Very high	96.3	Very high	94 Å²	94	59.9 Å²	59.9	66%	0.657	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-13.7	-178.9	52	0	0	0	0	116.4
103	H	94.1	Very high	96.2	Very high	134 Å²	134	60.5 Å²	60.5	62%	0.62	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	21.6	177.8	67	-94.5	0	0	0	112.7	R101	R101-H103 PolarHBondContact O-N 2.92Å
104	K	96.4	Very high	96.2	Very high	91 Å²	91	63.3 Å²	63.3	40%	0.396	30%	0.304	S	S	.	.	S	Bend	trans	-126.7	141.9	-179.3	-63.7	-63.4	-178.9	-165.3	0	111.6	H98 R101 G106 Y107	H98-K104 VanDerWaalsContact O-CB 3.25Å; H98-K104 WeakPolarHBondContact O-CB 3.44Å; R101-K104 HydrophobicContact CB-CG 4.04Å; R101-K104 WeakPolarHBondContact O-CB 3.42Å; R101-K104 PolarHBondContact O-N 3.01Å; K104-G106 PolarHBondContact O-N 3.49Å; K104-G106 VanDerWaalsContact O-N 3.14Å; K104-Y107 WeakPolarHBondContact O-CB 3.46Å; K104-Y107 PolarHBondContact O-N 3.03Å
105	D	93	Very high	96.1	Very high	129 Å²	129	69.2 Å²	69.2	69%	0.69	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-33.2	-172.9	-8.2	-64	0	0	0	113.7	H98 Y107	H98-D105 IonicContact CE1-OD2 3.28Å; H98-D105 PolarHBondContact CE1-OD2 2.88Å; H98-D105 VanDerWaalsContact CE1-OD2 3.28Å; H98-D105 IonicContact ND1-OD2 2.95Å; H98-D105 PolarHBondContact ND1-OD2 2.69Å; D105-Y107 VanDerWaalsContact C-N 3.29Å; D105-Y107 PolarHBondContact O-N 3.01Å
106	G	94.3	Very high	96	Very high	4 Å²	4	72.2 Å²	72.2	4%	0.041	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-16.5	176.4	0	0	0	0	0	114.7	H98 Y99 K104 E108 K109 Y110	H98-G106 PolarHBondContact CE1-N 3.1Å; H98-G106 CarbonylContact O-C 3.59Å; H98-G106 VanDerWaalsContact O-CA 3.24Å; H98-G106 WeakPolarHBondContact O-CA 3.29Å; H98-G106 PolarHBondContact O-N 2.96Å; Y99-G106 WeakPolarHBondContact CD1-O 3.39Å; K104-G106 PolarHBondContact O-N 3.49Å; K104-G106 VanDerWaalsContact O-N 3.14Å; G106-E108 VanDerWaalsContact C-N 3.34Å; G106-E108 PolarHBondContact O-N 2.85Å; G106-K109 WeakPolarHBondContact O-CB 3.35Å; G106-K109 PolarHBondContact O-N 3.02Å; G106-Y110 PolarHBondContact O-N 2.93Å
107	Y	95.9	Very high	95.9	Very high	80 Å²	80	71.4 Å²	71.4	31%	0.314	34%	0.336	S	S	.	.	H	α-helix	trans	-63.3	-35.7	-171.8	-173.9	-102.9	0	0	0	113.6	R101 K104 D105 Y110 T111	R101-Y107 WeakPolarHBondContact O-CB 3.46Å; K104-Y107 WeakPolarHBondContact O-CB 3.46Å; K104-Y107 PolarHBondContact O-N 3.03Å; D105-Y107 VanDerWaalsContact C-N 3.29Å; D105-Y107 PolarHBondContact O-N 3.01Å; Y107-Y110 PolarHBondContact O-N 2.93Å; Y107-T111 HydrophobicContact CD1-CG2 3.98Å; Y107-T111 HydrophobicContact CD2-CG2 4.25Å; Y107-T111 HydrophobicContact CE1-CG2 3.58Å; Y107-T111 HydrophobicContact CE2-CG2 3.87Å; Y107-T111 HydrophobicContact CG-CG2 4.31Å; Y107-T111 WeakPolarHBondContact O-CB 3.33Å; Y107-T111 WeakPolarHBondContact O-CG2 3.46Å; Y107-T111 PolarHBondContact O-N 3.04Å; Y107-T111 PolarHBondContact O-OG1 3.07Å
108	E	95.8	Very high	95.7	Very high	156 Å²	156	74.1 Å²	74.1	73%	0.729	35%	0.354	S	S	*	.	H	α-helix	trans	-65	-42.8	175.9	-62.4	-166.6	161.3	0	0	111.4	G106 Y110 T111 A112	G106-E108 VanDerWaalsContact C-N 3.34Å; G106-E108 PolarHBondContact O-N 2.85Å; E108-Y110 PolarHBondContact O-N 3.31Å; E108-T111 PolarHBondContact O-N 3.33Å; E108-T111 PolarHBondContact O-OG1 3.08Å; E108-A112 VanDerWaalsContact O-CB 3.24Å; E108-A112 WeakPolarHBondContact O-CB 3.34Å; E108-A112 PolarHBondContact O-N 3.11Å
109	K	96.1	Very high	95.4	Very high	102 Å²	102	76.7 Å²	76.7	44%	0.443	37%	0.374	S	S	.	.	H	α-helix	trans	-62.3	-43	175.4	-169.7	-177.8	-176.3	-173.2	0	111.6	Y99 G106 W113 F130	Y99-K109 HydrophobicContact CE1-CD 4.31Å; G106-K109 WeakPolarHBondContact O-CB 3.35Å; G106-K109 PolarHBondContact O-N 3.02Å; K109-W113 WeakPolarHBondContact O-CB 3.47Å; K109-W113 PolarHBondContact O-N 2.84Å; K109-W113 VanDerWaalsContact O-N 3.1Å; K109-F130 HydrophobicContact CD-CZ 4.19Å; K109-F130 HydrophobicContact CG-CE2 4.35Å; K109-F130 HydrophobicContact CG-CZ 4.16Å
110	Y	97.1	Very high	95.1	Very high	11 Å²	11	76.5 Å²	76.5	4%	0.043	37%	0.374	C	S	.	.	H	α-helix	trans	-66.5	-43.6	177.3	175.6	-119.2	0	0	0	112.4	Y99 Y100 G106 Y107 E108 W113 K114 P125 P127 F130	Y99-Y110 WeakPolarHBondContact O-CB 3.34Å; Y99-Y110 WeakPolarHBondContact O-CD1 3.13Å; Y100-Y110 HydrophobicContact CD2-CE1 4.44Å; G106-Y110 PolarHBondContact O-N 2.93Å; Y107-Y110 PolarHBondContact O-N 2.93Å; E108-Y110 PolarHBondContact O-N 3.31Å; Y110-W113 HydrophobicContact CD2-CE3 4.02Å; Y110-W113 HydrophobicContact CD2-CZ3 4.25Å; Y110-W113 HydrophobicContact CE2-CE3 4.03Å; Y110-W113 AromaticContact CE2-CZ3 3.79Å; Y110-W113 HydrophobicContact CE2-CZ3 3.79Å; Y110-W113 PolarHBondContact O-N 2.91Å; Y110-K114 VanDerWaalsContact O-CB 3.23Å; Y110-K114 WeakPolarHBondContact O-CB 3.37Å; Y110-K114 PolarHBondContact O-N 3.07Å; Y110-P125 PolarHBondContact OH-O 3.04Å; Y110-P127 WeakPolarHBondContact OH-CD 3.39Å; Y110-F130 HydrophobicContact CD2-CB 3.7Å; Y110-F130 HydrophobicContact CD2-CD1 4.09Å; Y110-F130 AromaticContact CD2-CD2 3.91Å; Y110-F130 HydrophobicContact CD2-CD2 3.91Å; Y110-F130 AromaticContact CD2-CG 3.63Å; Y110-F130 HydrophobicContact CD2-CG 3.63Å; Y110-F130 HydrophobicContact CE2-CB 3.78Å; Y110-F130 HydrophobicContact CE2-CG 4.23Å
111	T	96.8	Very high	95	Very high	37 Å²	37	71.8 Å²	71.8	23%	0.227	36%	0.358	C	S	.	.	H	α-helix	trans	-76.5	-24.4	179.7	53.8	0	0	0	0	113.8	Y107 E108 R115	Y107-T111 HydrophobicContact CD1-CG2 3.98Å; Y107-T111 HydrophobicContact CD2-CG2 4.25Å; Y107-T111 HydrophobicContact CE1-CG2 3.58Å; Y107-T111 HydrophobicContact CE2-CG2 3.87Å; Y107-T111 HydrophobicContact CG-CG2 4.31Å; Y107-T111 WeakPolarHBondContact O-CB 3.33Å; Y107-T111 WeakPolarHBondContact O-CG2 3.46Å; Y107-T111 PolarHBondContact O-N 3.04Å; Y107-T111 PolarHBondContact O-OG1 3.07Å; E108-T111 PolarHBondContact O-N 3.33Å; E108-T111 PolarHBondContact O-OG1 3.08Å; T111-R115 WeakPolarHBondContact O-CG 3.25Å; T111-R115 PolarHBondContact O-N 2.93Å; T111-R115 PolarHBondContact O-NE 2.97Å
112	A	96	Very high	94.9	Very high	38 Å²	38	73.9 Å²	73.9	31%	0.314	37%	0.37	S	S	.	.	H	α-helix	trans	-66.2	-53.5	166.2	0	0	0	0	0	111.1	E108 K114 R115 I116	E108-A112 VanDerWaalsContact O-CB 3.24Å; E108-A112 WeakPolarHBondContact O-CB 3.34Å; E108-A112 PolarHBondContact O-N 3.11Å; A112-K114 VanDerWaalsContact C-N 3.33Å; A112-K114 PolarHBondContact O-N 3.1Å; A112-R115 PolarHBondContact O-N 2.66Å; A112-I116 PolarHBondContact O-N 2.78Å
113	W	97.1	Very high	94.9	Very high	12 Å²	12	71.9 Å²	71.9	5%	0.045	36%	0.356	C	S	.	.	H	α-helix	trans	-56.3	-45.4	174.8	168.7	89.3	0	0	0	112.2	K109 Y110 R115 I116 W117 P125 A129 F130 D133 Q134	K109-W113 WeakPolarHBondContact O-CB 3.47Å; K109-W113 PolarHBondContact O-N 2.84Å; K109-W113 VanDerWaalsContact O-N 3.1Å; Y110-W113 HydrophobicContact CD2-CE3 4.02Å; Y110-W113 HydrophobicContact CD2-CZ3 4.25Å; Y110-W113 HydrophobicContact CE2-CE3 4.03Å; Y110-W113 AromaticContact CE2-CZ3 3.79Å; Y110-W113 HydrophobicContact CE2-CZ3 3.79Å; Y110-W113 PolarHBondContact O-N 2.91Å; W113-R115 VanDerWaalsContact C-N 3.29Å; W113-R115 PolarHBondContact O-N 3Å; W113-I116 PolarHBondContact O-N 3.28Å; W113-I116 VanDerWaalsContact O-N 3.16Å; W113-W117 AromaticContact CE2-CE3 3.45Å; W113-W117 VanDerWaalsContact CE2-CE3 3.45Å; W113-W117 AromaticContact CE2-CZ3 3.94Å; W113-W117 HydrophobicContact CH2-CD2 4.03Å; W113-W117 HydrophobicContact CH2-CE3 4.15Å; W113-W117 HydrophobicContact CH2-CG 4.26Å; W113-W117 HydrophobicContact CZ2-CB 4.48Å; W113-W117 AromaticContact CZ2-CD2 3.54Å; W113-W117 HydrophobicContact CZ2-CD2 3.54Å; W113-W117 AromaticContact CZ2-CE3 3.21Å; W113-W117 HydrophobicContact CZ2-CE3 3.21Å; W113-W117 HydrophobicContact CZ2-CG 4.14Å; W113-W117 HydrophobicContact CZ2-CH2 4.13Å; W113-W117 HydrophobicContact CZ2-CZ2 4.44Å; W113-W117 AromaticContact CZ2-CZ3 3.54Å; W113-W117 HydrophobicContact CZ2-CZ3 3.54Å; W113-W117 AromaticContact NE1-CE3 3.51Å; W113-W117 AromaticContact NE1-CZ3 3.83Å; W113-W117 PolarHBondContact O-N 3.17Å; W113-P125 HydrophobicContact CH2-CB 3.9Å; W113-P125 HydrophobicContact CZ3-CB 3.64Å; W113-A129 HydrophobicContact CH2-CB 3.83Å; W113-A129 HydrophobicContact CZ2-CB 4.16Å; W113-F130 HydrophobicContact CB-CD2 3.93Å; W113-F130 HydrophobicContact CB-CE2 4.04Å; W113-F130 HydrophobicContact CD2-CB 4.15Å; W113-F130 AromaticContact CD2-CD2 3.61Å; W113-F130 HydrophobicContact CD2-CD2 3.61Å; W113-F130 HydrophobicContact CD2-CG 4.37Å; W113-F130 HydrophobicContact CE3-CB 3.84Å; W113-F130 AromaticContact CE3-CD2 3.8Å; W113-F130 HydrophobicContact CE3-CD2 3.8Å; W113-F130 HydrophobicContact CE3-CG 4.27Å; W113-F130 AromaticContact CG-CD2 3.67Å; W113-F130 HydrophobicContact CG-CD2 3.67Å; W113-F130 HydrophobicContact CG-CE2 4.21Å; W113-F130 HydrophobicContact CH2-CB 3.88Å; W113-F130 HydrophobicContact CZ2-CB 4.13Å; W113-F130 HydrophobicContact CZ3-CB 3.72Å; W113-D133 HydrophobicContact CZ2-CB 4.44Å; W113-D133 PolarHBondContact NE1-OD2 3.36Å; W113-Q134 VanDerWaalsContact CD1-CG 3.44Å; W113-Q134 HydrophobicContact CG-CG 4.13Å
114	K	96.5	Very high	95	Very high	85 Å²	85	73.5 Å²	73.5	37%	0.37	36%	0.364	S	S	.	.	H	α-helix	trans	-60.7	-35.9	-178.8	172.4	157.3	179.5	154.5	0	112.6	Y110 A112 W117 T118 P125	Y110-K114 VanDerWaalsContact O-CB 3.23Å; Y110-K114 WeakPolarHBondContact O-CB 3.37Å; Y110-K114 PolarHBondContact O-N 3.07Å; A112-K114 VanDerWaalsContact C-N 3.33Å; A112-K114 PolarHBondContact O-N 3.1Å; K114-W117 PolarHBondContact O-N 2.86Å; K114-T118 PolarHBondContact O-N 2.81Å; K114-T118 PolarHBondContact O-OG1 2.71Å; K114-P125 HydrophobicContact CB-CB 4.3Å; K114-P125 HydrophobicContact CD-CB 4.11Å; K114-P125 HydrophobicContact CD-CG 3.93Å; K114-P125 HydrophobicContact CG-CB 3.81Å; K114-P125 HydrophobicContact CG-CG 3.78Å
115	R	95.6	Very high	95	Very high	173 Å²	173	70.2 Å²	70.2	65%	0.653	35%	0.352	S	S	*	.	H	α-helix	trans	-63.3	-47.5	174.8	-78.7	176.5	-74.3	160.5	-6.8	111.7	T111 A112 W113 W117 T118 S119	T111-R115 WeakPolarHBondContact O-CG 3.25Å; T111-R115 PolarHBondContact O-N 2.93Å; T111-R115 PolarHBondContact O-NE 2.97Å; A112-R115 PolarHBondContact O-N 2.66Å; W113-R115 VanDerWaalsContact C-N 3.29Å; W113-R115 PolarHBondContact O-N 3Å; R115-W117 VanDerWaalsContact C-N 3.34Å; R115-W117 PolarHBondContact O-N 2.77Å; R115-T118 PolarHBondContact O-N 2.85Å; R115-S119 PolarHBondContact O-N 3.36Å; R115-S119 PolarHBondContact O-OG 2.74Å
116	I	94.8	Very high	95.2	Very high	63 Å²	63	65.6 Å²	65.6	32%	0.323	33%	0.33	S	S	.	.	H	α-helix	trans	-62.1	-43.1	177.2	-59.2	169.9	0	0	0	110.4	A112 W113 T118 S119 N120	A112-I116 PolarHBondContact O-N 2.78Å; W113-I116 PolarHBondContact O-N 3.28Å; W113-I116 VanDerWaalsContact O-N 3.16Å; I116-T118 PolarHBondContact O-N 2.98Å; I116-S119 PolarHBondContact O-N 2.8Å; I116-S119 PolarHBondContact O-OG 2.91Å; I116-N120 WeakPolarHBondContact CG2-ND2 3.38Å; I116-N120 VanDerWaalsContact O-CB 3.29Å; I116-N120 WeakPolarHBondContact O-CB 3.34Å; I116-N120 VanDerWaalsContact O-CG 3.24Å; I116-N120 PolarHBondContact O-N 3.2Å
117	W	95.4	Very high	95.4	Very high	6 Å²	6	66.3 Å²	66.3	2%	0.023	33%	0.334	C	S	.	.	H	α-helix	trans	-61.4	-43.1	177.7	-161.8	-79.9	0	0	0	112.3	W113 K114 R115 N120 G121 S123 P125 A129 D133 L210 P232	W113-W117 AromaticContact CE2-CE3 3.45Å; W113-W117 VanDerWaalsContact CE2-CE3 3.45Å; W113-W117 AromaticContact CE2-CZ3 3.94Å; W113-W117 HydrophobicContact CH2-CD2 4.03Å; W113-W117 HydrophobicContact CH2-CE3 4.15Å; W113-W117 HydrophobicContact CH2-CG 4.26Å; W113-W117 HydrophobicContact CZ2-CB 4.48Å; W113-W117 AromaticContact CZ2-CD2 3.54Å; W113-W117 HydrophobicContact CZ2-CD2 3.54Å; W113-W117 AromaticContact CZ2-CE3 3.21Å; W113-W117 HydrophobicContact CZ2-CE3 3.21Å; W113-W117 HydrophobicContact CZ2-CG 4.14Å; W113-W117 HydrophobicContact CZ2-CH2 4.13Å; W113-W117 HydrophobicContact CZ2-CZ2 4.44Å; W113-W117 AromaticContact CZ2-CZ3 3.54Å; W113-W117 HydrophobicContact CZ2-CZ3 3.54Å; W113-W117 AromaticContact NE1-CE3 3.51Å; W113-W117 AromaticContact NE1-CZ3 3.83Å; W113-W117 PolarHBondContact O-N 3.17Å; K114-W117 PolarHBondContact O-N 2.86Å; R115-W117 VanDerWaalsContact C-N 3.34Å; R115-W117 PolarHBondContact O-N 2.77Å; W117-N120 PolarHBondContact O-N 3.15Å; W117-G121 WeakPolarHBondContact O-CA 3.35Å; W117-G121 PolarHBondContact O-N 3.22Å; W117-S123 WeakPolarHBondContact CZ2-OG 3.38Å; W117-S123 PolarHBondContact NE1-O 3.35Å; W117-S123 VanDerWaalsContact NE1-O 3.15Å; W117-S123 PolarHBondContact NE1-OG 3.24Å; W117-P125 HydrophobicContact CB-CB 4.06Å; W117-P125 HydrophobicContact CG-CB 3.96Å; W117-A129 HydrophobicContact CZ2-CB 4.46Å; W117-D133 HydrophobicContact CZ3-CB 4.07Å; W117-L210 HydrophobicContact CH2-CD1 3.73Å; W117-L210 HydrophobicContact CZ2-CD1 4Å; W117-P232 HydrophobicContact CD2-CB 4.3Å; W117-P232 HydrophobicContact CD2-CG 4.22Å; W117-P232 HydrophobicContact CE3-CB 4.23Å; W117-P232 HydrophobicContact CE3-CG 4.29Å; W117-P232 HydrophobicContact CH2-CG 4.4Å; W117-P232 HydrophobicContact CZ2-CG 4.27Å; W117-P232 HydrophobicContact CZ3-CG 4.39Å
118	T	93.7	Very high	95.5	Very high	90 Å²	90	64.3 Å²	64.3	55%	0.552	33%	0.327	S	S	*	.	H	α-helix	trans	-72.8	-23.9	178.2	-55.3	0	0	0	0	113.7	K114 R115 I116	K114-T118 PolarHBondContact O-N 2.81Å; K114-T118 PolarHBondContact O-OG1 2.71Å; R115-T118 PolarHBondContact O-N 2.85Å; I116-T118 PolarHBondContact O-N 2.98Å
119	S	91.9	Very high	95.6	Very high	75 Å²	75	57.3 Å²	57.3	52%	0.524	30%	0.295	S	S	.	.	H	α-helix	trans	-82	-28.4	173.3	60.7	0	0	0	0	113.5	R115 I116	R115-S119 PolarHBondContact O-N 3.36Å; R115-S119 PolarHBondContact O-OG 2.74Å; I116-S119 PolarHBondContact O-N 2.8Å; I116-S119 PolarHBondContact O-OG 2.91Å
120	N	90.6	Very high	95.7	Very high	7 Å²	7	52.5 Å²	52.5	4%	0.037	28%	0.275	C	S	.	.	H	α-helix	trans	-108.8	-30.3	-168.5	-61.8	2.8	0	0	0	113.9	I116 W117 Y224 P225 P232 N238	I116-N120 WeakPolarHBondContact CG2-ND2 3.38Å; I116-N120 VanDerWaalsContact O-CB 3.29Å; I116-N120 WeakPolarHBondContact O-CB 3.34Å; I116-N120 VanDerWaalsContact O-CG 3.24Å; I116-N120 PolarHBondContact O-N 3.2Å; W117-N120 PolarHBondContact O-N 3.15Å; N120-Y224 WeakPolarHBondContact O-CD1 3.29Å; N120-P225 WeakPolarHBondContact O-CD 3.3Å; N120-P232 HydrophobicContact CB-CB 3.88Å; N120-P232 WeakPolarHBondContact CB-O 3.41Å; N120-P232 PolarHBondContact ND2-O 2.76Å; N120-N238 PolarHBondContact ND2-OD1 3.37Å
121	G	92.4	Very high	95.7	Very high	10 Å²	10	52 Å²	52	10%	0.103	27%	0.273	C	S	.	.			trans	-117.8	171.9	-172.4	0	0	0	0	0	114.3	W117 D226	W117-G121 WeakPolarHBondContact O-CA 3.35Å; W117-G121 PolarHBondContact O-N 3.22Å; G121-D226 VanDerWaalsContact CA-OD1 3.27Å; G121-D226 WeakPolarHBondContact CA-OD1 3.36Å
122	K	94.8	Very high	95.8	Very high	154 Å²	154	51.7 Å²	51.7	67%	0.67	27%	0.274	S	S	*	.	S	Bend	trans	-107.8	-22.3	-177	-166.7	-178.7	-177.6	-177.9	0	113.6	Y224 D226 C227	K122-Y224 HydrophobicContact CB-CD1 4.31Å; K122-Y224 HydrophobicContact CB-CD2 4.45Å; K122-Y224 HydrophobicContact CB-CG 4.07Å; K122-Y224 HydrophobicContact CD-CD2 4.43Å; K122-D226 VanDerWaalsContact N-CG 3.34Å; K122-D226 PolarHBondContact N-OD1 2.9Å; K122-D226 PolarHBondContact N-OD2 2.8Å; K122-C227 VanDerWaalsContact CD-SG 3.53Å
123	S	95.3	Very high	95.8	Very high	52 Å²	52	50.5 Å²	50.5	36%	0.364	26%	0.262	S	S	.	.	S	Bend	trans	-80.2	157.3	-178.1	62.7	0	0	0	0	113.2	W117 P125 D226	W117-S123 WeakPolarHBondContact CZ2-OG 3.38Å; W117-S123 PolarHBondContact NE1-O 3.35Å; W117-S123 VanDerWaalsContact NE1-O 3.15Å; W117-S123 PolarHBondContact NE1-OG 3.24Å; S123-P125 WeakPolarHBondContact O-CD 3.36Å; S123-D226 WeakPolarHBondContact CB-OD2 3.33Å; S123-D226 PolarHBondContact N-OD2 2.83Å; S123-D226 PolarHBondContact OG-OD2 3.06Å
124	E	95.6	Very high	95.8	Very high	168 Å²	168	52.2 Å²	52.2	79%	0.785	27%	0.271	S	S	*	.			trans	-67.7	124.1	-178.9	-68.7	-164.9	168.9	0	0	112.8	S126	E124-S126 VanDerWaalsContact C-N 3.26Å; E124-S126 PolarHBondContact O-N 3.49Å
125	P	96.4	Very high	95.8	Very high	22 Å²	22	48.5 Å²	48.5	14%	0.143	26%	0.255	C	S	.	.			trans	-74	80.9	174.5	30.9	-36	0	0	0	110.6	Y110 W113 K114 W117 S123	Y110-P125 PolarHBondContact OH-O 3.04Å; W113-P125 HydrophobicContact CH2-CB 3.9Å; W113-P125 HydrophobicContact CZ3-CB 3.64Å; K114-P125 HydrophobicContact CB-CB 4.3Å; K114-P125 HydrophobicContact CD-CB 4.11Å; K114-P125 HydrophobicContact CD-CG 3.93Å; K114-P125 HydrophobicContact CG-CB 3.81Å; K114-P125 HydrophobicContact CG-CG 3.78Å; W117-P125 HydrophobicContact CB-CB 4.06Å; W117-P125 HydrophobicContact CG-CB 3.96Å; S123-P125 WeakPolarHBondContact O-CD 3.36Å
126	S	97.5	Very high	95.9	Very high	32 Å²	32	40.6 Å²	40.6	22%	0.224	23%	0.225	C	C	.	.			trans	-90	160.8	179.1	74	0	0	0	0	112.4	E124 K128 A129 F130	E124-S126 VanDerWaalsContact C-N 3.26Å; E124-S126 PolarHBondContact O-N 3.49Å; S126-K128 PolarHBondContact O-N 2.91Å; S126-A129 PolarHBondContact O-N 3.06Å; S126-A129 VanDerWaalsContact O-N 3.14Å; S126-A129 WeakPolarHBondContact OG-CB 3.17Å; S126-A129 PolarHBondContact OG-N 2.95Å; S126-A129 VanDerWaalsContact OG-N 3.11Å; S126-F130 PolarHBondContact O-N 2.89Å
127	P	97.4	Very high	96	Very high	20 Å²	20	38 Å²	38	13%	0.13	21%	0.213	C	C	.	.	H	α-helix	trans	-61.4	-28.6	173.3	-25.9	37	0	0	0	113.5	F96 Y100 Y110 M131	F96-P127 HydrophobicContact CD2-CB 3.93Å; F96-P127 HydrophobicContact CD2-CG 4.4Å; F96-P127 HydrophobicContact CE2-CB 3.65Å; F96-P127 HydrophobicContact CE2-CG 3.66Å; F96-P127 HydrophobicContact CZ-CG 4.17Å; Y100-P127 HydrophobicContact CD2-CG 3.62Å; Y100-P127 HydrophobicContact CE2-CG 4.16Å; Y100-P127 HydrophobicContact CG-CG 4.41Å; Y110-P127 WeakPolarHBondContact OH-CD 3.39Å; P127-M131 WeakPolarHBondContact O-CB 2.95Å; P127-M131 WeakPolarHBondContact O-CG 3.35Å; P127-M131 PolarHBondContact O-N 2.92Å
128	K	98.1	Very high	96.1	Very high	38 Å²	38	38.2 Å²	38.2	17%	0.165	21%	0.213	C	C	.	.	H	α-helix	trans	-70.4	-40.7	173.9	-68.6	-165.2	177.3	-167.3	0	111.6	E54 H84 L85 F91 S126 M131 A132 I206 L207	E54-K128 WeakPolarHBondContact OE1-CE 3.47Å; E54-K128 IonicContact OE1-NZ 2.67Å; E54-K128 PolarHBondContact OE1-NZ 2.84Å; H84-K128 VanDerWaalsContact O-CE 3.31Å; H84-K128 WeakPolarHBondContact O-CE 3.38Å; H84-K128 PolarHBondContact O-NZ 3.03Å; L85-K128 HydrophobicContact CD1-CB 4.23Å; L85-K128 HydrophobicContact CD1-CD 4.34Å; L85-K128 HydrophobicContact CD1-CG 4.13Å; F91-K128 HydrophobicContact CE1-CG 4.27Å; F91-K128 HydrophobicContact CZ-CG 4.35Å; S126-K128 PolarHBondContact O-N 2.91Å; K128-M131 PolarHBondContact O-N 3.11Å; K128-A132 WeakPolarHBondContact O-CB 3.42Å; K128-A132 PolarHBondContact O-N 2.8Å; K128-I206 HydrophobicContact CD-CG2 3.82Å; K128-L207 HydrophobicContact CB-CD1 3.99Å
129	A	97.9	Very high	96.4	Very high	8 Å²	8	34 Å²	34	7%	0.066	19%	0.187	C	C	.	.	H	α-helix	trans	-63.2	-45.5	174.7	0	0	0	0	0	111.2	W113 W117 S126 M131 A132 D133 L207	W113-A129 HydrophobicContact CH2-CB 3.83Å; W113-A129 HydrophobicContact CZ2-CB 4.16Å; W117-A129 HydrophobicContact CZ2-CB 4.46Å; S126-A129 PolarHBondContact O-N 3.06Å; S126-A129 VanDerWaalsContact O-N 3.14Å; S126-A129 WeakPolarHBondContact OG-CB 3.17Å; S126-A129 PolarHBondContact OG-N 2.95Å; S126-A129 VanDerWaalsContact OG-N 3.11Å; A129-M131 PolarHBondContact O-N 2.87Å; A129-A132 PolarHBondContact O-N 2.69Å; A129-D133 WeakPolarHBondContact O-CB 3.37Å; A129-D133 PolarHBondContact O-N 3.13Å; A129-L207 VanDerWaalsContact CA-CD1 3.42Å; A129-L207 HydrophobicContact CB-CD1 3.74Å; A129-L207 VanDerWaalsContact N-CD1 3.31Å
130	F	98.3	Very high	96.6	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	16%	0.163	C	C	.	.	H	α-helix	trans	-58.9	-44.8	173.1	173.9	-100	0	0	0	112.6	Y99 K109 Y110 W113 S126 D133 Q134 Q135	Y99-F130 HydrophobicContact CD1-CD1 4.36Å; Y99-F130 AromaticContact CD1-CE1 3.36Å; Y99-F130 HydrophobicContact CD1-CE1 3.36Å; Y99-F130 AromaticContact CD1-CZ 3.7Å; Y99-F130 HydrophobicContact CD1-CZ 3.7Å; Y99-F130 HydrophobicContact CD2-CD1 4.49Å; Y99-F130 AromaticContact CD2-CE1 3.88Å; Y99-F130 HydrophobicContact CD2-CE1 3.88Å; Y99-F130 AromaticContact CE1-CE1 3.54Å; Y99-F130 HydrophobicContact CE1-CE1 3.54Å; Y99-F130 AromaticContact CE1-CZ 3.68Å; Y99-F130 HydrophobicContact CE1-CZ 3.68Å; Y99-F130 AromaticContact CE2-CE1 3.99Å; Y99-F130 HydrophobicContact CE2-CE1 3.99Å; Y99-F130 HydrophobicContact CG-CD1 4.21Å; Y99-F130 AromaticContact CG-CE1 3.56Å; Y99-F130 HydrophobicContact CG-CE1 3.56Å; Y99-F130 HydrophobicContact CG-CZ 4.34Å; Y99-F130 AromaticContact CZ-CE1 3.84Å; K109-F130 HydrophobicContact CD-CZ 4.19Å; K109-F130 HydrophobicContact CG-CE2 4.35Å; K109-F130 HydrophobicContact CG-CZ 4.16Å; Y110-F130 HydrophobicContact CD2-CB 3.7Å; Y110-F130 HydrophobicContact CD2-CD1 4.09Å; Y110-F130 AromaticContact CD2-CD2 3.91Å; Y110-F130 HydrophobicContact CD2-CD2 3.91Å; Y110-F130 AromaticContact CD2-CG 3.63Å; Y110-F130 HydrophobicContact CD2-CG 3.63Å; Y110-F130 HydrophobicContact CE2-CB 3.78Å; Y110-F130 HydrophobicContact CE2-CG 4.23Å; W113-F130 HydrophobicContact CB-CD2 3.93Å; W113-F130 HydrophobicContact CB-CE2 4.04Å; W113-F130 HydrophobicContact CD2-CB 4.15Å; W113-F130 AromaticContact CD2-CD2 3.61Å; W113-F130 HydrophobicContact CD2-CD2 3.61Å; W113-F130 HydrophobicContact CD2-CG 4.37Å; W113-F130 HydrophobicContact CE3-CB 3.84Å; W113-F130 AromaticContact CE3-CD2 3.8Å; W113-F130 HydrophobicContact CE3-CD2 3.8Å; W113-F130 HydrophobicContact CE3-CG 4.27Å; W113-F130 AromaticContact CG-CD2 3.67Å; W113-F130 HydrophobicContact CG-CD2 3.67Å; W113-F130 HydrophobicContact CG-CE2 4.21Å; W113-F130 HydrophobicContact CH2-CB 3.88Å; W113-F130 HydrophobicContact CZ2-CB 4.13Å; W113-F130 HydrophobicContact CZ3-CB 3.72Å; S126-F130 PolarHBondContact O-N 2.89Å; F130-D133 PolarHBondContact O-N 2.94Å; F130-Q134 HydrophobicContact CD2-CB 3.98Å; F130-Q134 HydrophobicContact CD2-CG 3.84Å; F130-Q134 HydrophobicContact CE2-CB 3.81Å; F130-Q134 HydrophobicContact CE2-CG 3.88Å; F130-Q134 HydrophobicContact CZ-CB 4.22Å; F130-Q134 WeakPolarHBondContact O-CA 3.34Å; F130-Q134 VanDerWaalsContact O-CB 3.27Å; F130-Q134 WeakPolarHBondContact O-CB 3.36Å; F130-Q134 PolarHBondContact O-N 3.37Å; F130-Q135 HydrophobicContact CD1-CG 4.18Å; F130-Q135 HydrophobicContact CE1-CG 3.58Å; F130-Q135 HydrophobicContact CZ-CG 4.12Å
131	M	98.2	Very high	96.9	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	18%	0.177	C	C	.	.	I	π-helix	trans	-61.6	-45.7	177.9	-76.3	-68.2	-177	0	0	111.6	F66 A67 L85 F91 C95 Y99 P127 K128 A129 Q135 L136	F66-M131 HydrophobicContact CE2-CB 4.39Å; F66-M131 HydrophobicContact CE2-SD 4.19Å; F66-M131 HydrophobicContact CZ-CB 4.1Å; F66-M131 HydrophobicContact CZ-SD 4.48Å; A67-M131 HydrophobicContact CB-CE 4.09Å; A67-M131 HydrophobicContact CB-SD 3.9Å; L85-M131 HydrophobicContact CD2-CB 4.29Å; F91-M131 HydrophobicContact CD1-CG 4.17Å; F91-M131 HydrophobicContact CD2-CE 3.64Å; F91-M131 HydrophobicContact CD2-CG 4.24Å; F91-M131 HydrophobicContact CD2-SD 4.4Å; F91-M131 HydrophobicContact CE1-CB 4.26Å; F91-M131 HydrophobicContact CE1-CG 3.9Å; F91-M131 HydrophobicContact CE2-CE 3.76Å; F91-M131 HydrophobicContact CE2-CG 3.93Å; F91-M131 HydrophobicContact CG-CE 4.28Å; F91-M131 HydrophobicContact CG-CG 4.33Å; F91-M131 HydrophobicContact CZ-CG 3.77Å; C95-M131 WeakPolarHBondContact O-CE 3.36Å; Y99-M131 HydrophobicContact CD2-CE 3.39Å; Y99-M131 HydrophobicContact CD2-SD 4.48Å; Y99-M131 HydrophobicContact CE2-CE 3.69Å; Y99-M131 HydrophobicContact CE2-SD 4.38Å; P127-M131 WeakPolarHBondContact O-CB 2.95Å; P127-M131 WeakPolarHBondContact O-CG 3.35Å; P127-M131 PolarHBondContact O-N 2.92Å; K128-M131 PolarHBondContact O-N 3.11Å; A129-M131 PolarHBondContact O-N 2.87Å; M131-Q135 CarbonylContact O-C 3.19Å; M131-Q135 WeakPolarHBondContact O-CA 3.49Å; M131-Q135 PolarHBondContact O-N 3.08Å; M131-Q135 HydrophobicContact SD-CB 3.71Å; M131-Q135 HydrophobicContact SD-CG 3.86Å; M131-L136 PolarHBondContact O-N 3.22Å
132	A	97.8	Very high	97.1	Very high	30 Å²	30	33.3 Å²	33.3	25%	0.248	17%	0.174	C	C	.	.	I	π-helix	trans	-63	-45.1	177.4	0	0	0	0	0	112.3	L85 K128 A129 L136 R336	L85-A132 HydrophobicContact CD2-CB 3.8Å; K128-A132 WeakPolarHBondContact O-CB 3.42Å; K128-A132 PolarHBondContact O-N 2.8Å; A129-A132 PolarHBondContact O-N 2.69Å; A132-L136 HydrophobicContact CB-CD1 4.46Å; A132-R336 WeakPolarHBondContact O-CB 3.47Å; A132-R336 VanDerWaalsContact O-CD 3.26Å; A132-R336 WeakPolarHBondContact O-CD 3.3Å
133	D	97.6	Very high	97.1	Very high	12 Å²	12	28.7 Å²	28.7	6%	0.064	16%	0.158	C	C	.	.	I	π-helix	trans	-78.7	-31.8	-173.3	-173.9	61.7	0	0	0	114	W113 W117 A129 F130 K212 S231 S233 R336	W113-D133 HydrophobicContact CZ2-CB 4.44Å; W113-D133 PolarHBondContact NE1-OD2 3.36Å; W117-D133 HydrophobicContact CZ3-CB 4.07Å; A129-D133 WeakPolarHBondContact O-CB 3.37Å; A129-D133 PolarHBondContact O-N 3.13Å; F130-D133 PolarHBondContact O-N 2.94Å; D133-K212 WeakPolarHBondContact O-CE 3.4Å; D133-K212 VanDerWaalsContact OD1-CE 3.3Å; D133-K212 WeakPolarHBondContact OD1-CE 3.3Å; D133-K212 IonicContact OD1-NZ 2.65Å; D133-K212 PolarHBondContact OD1-NZ 2.94Å; D133-K212 IonicContact OD2-NZ 2.78Å; D133-S231 WeakPolarHBondContact OD1-CB 3.23Å; D133-S231 PolarHBondContact OD1-OG 2.78Å; D133-S233 PolarHBondContact OD1-OG 2.93Å; D133-S233 WeakPolarHBondContact OD2-CB 3.49Å; D133-S233 PolarHBondContact OD2-OG 3.05Å; D133-R336 VanDerWaalsContact O-CD 3.29Å; D133-R336 WeakPolarHBondContact O-CD 3.32Å; D133-R336 PolarHBondContact O-NE 2.78Å
134	Q	96.5	Very high	97	Very high	49 Å²	49	28.1 Å²	28.1	23%	0.229	15%	0.149	C	C	.	.	I	π-helix	trans	-125.3	-22.8	-167	-62.1	-69.4	-40.7	0	0	115.4	W113 F130 S233	W113-Q134 VanDerWaalsContact CD1-CG 3.44Å; W113-Q134 HydrophobicContact CG-CG 4.13Å; F130-Q134 HydrophobicContact CD2-CB 3.98Å; F130-Q134 HydrophobicContact CD2-CG 3.84Å; F130-Q134 HydrophobicContact CE2-CB 3.81Å; F130-Q134 HydrophobicContact CE2-CG 3.88Å; F130-Q134 HydrophobicContact CZ-CB 4.22Å; F130-Q134 WeakPolarHBondContact O-CA 3.34Å; F130-Q134 VanDerWaalsContact O-CB 3.27Å; F130-Q134 WeakPolarHBondContact O-CB 3.36Å; F130-Q134 PolarHBondContact O-N 3.37Å; Q134-S233 PolarHBondContact NE2-OG 3.24Å; Q134-S233 VanDerWaalsContact NE2-OG 3.14Å
135	Q	96.7	Very high	96.7	Very high	7 Å²	7	25.7 Å²	25.7	3%	0.033	15%	0.149	C	C	.	.	I	π-helix	trans	-122.3	-19.4	-171	-55.6	-47.1	-56.4	0	0	115.5	Y99 F130 M131	Y99-Q135 HydrophobicContact CE2-CG 4.14Å; Y99-Q135 PolarHBondContact OH-OE1 3.41Å; Y99-Q135 VanDerWaalsContact OH-OE1 3.11Å; F130-Q135 HydrophobicContact CD1-CG 4.18Å; F130-Q135 HydrophobicContact CE1-CG 3.58Å; F130-Q135 HydrophobicContact CZ-CG 4.12Å; M131-Q135 CarbonylContact O-C 3.19Å; M131-Q135 WeakPolarHBondContact O-CA 3.49Å; M131-Q135 PolarHBondContact O-N 3.08Å; M131-Q135 HydrophobicContact SD-CB 3.71Å; M131-Q135 HydrophobicContact SD-CG 3.86Å
136	L	97.1	Very high	96.6	Very high	7 Å²	7	31.5 Å²	31.5	4%	0.037	17%	0.174	C	C	.	.	S	Bend	trans	-61.7	134.9	173.2	-92	-179.9	0	0	0	110.5	F66 L85 E89 M131 A132 R336	F66-L136 HydrophobicContact CD1-CD2 3.62Å; F66-L136 HydrophobicContact CD2-CD2 3.63Å; F66-L136 HydrophobicContact CD2-CG 4.28Å; F66-L136 HydrophobicContact CE1-CD2 3.61Å; F66-L136 HydrophobicContact CE1-CG 4.35Å; F66-L136 HydrophobicContact CE2-CD2 3.62Å; F66-L136 HydrophobicContact CE2-CG 3.86Å; F66-L136 HydrophobicContact CG-CD2 3.66Å; F66-L136 HydrophobicContact CZ-CD2 3.62Å; F66-L136 HydrophobicContact CZ-CG 3.91Å; L85-L136 HydrophobicContact CD2-CD1 3.67Å; L85-L136 HydrophobicContact CD2-CG 4.06Å; E89-L136 HydrophobicContact CB-CD2 4.12Å; E89-L136 HydrophobicContact CG-CD2 4.01Å; M131-L136 PolarHBondContact O-N 3.22Å; A132-L136 HydrophobicContact CB-CD1 4.46Å; L136-R336 HydrophobicContact CB-CB 3.65Å; L136-R336 WeakPolarHBondContact O-CD 3.43Å; L136-R336 WeakPolarHBondContact O-CG 3.32Å; L136-R336 PolarHBondContact O-NH1 2.72Å
137	P	97.2	Very high	96.4	Very high	9 Å²	9	31.1 Å²	31.1	6%	0.058	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-64.1	151.1	170.8	-21.1	33.6	0	0	0	111.7	Q152 L153 G337	P137-Q152 HydrophobicContact CB-CG 3.8Å; P137-Q152 HydrophobicContact CG-CG 4.46Å; P137-L153 WeakPolarHBondContact CB-O 3.49Å; P137-G337 WeakPolarHBondContact O-CA 3.34Å; P137-G337 PolarHBondContact O-N 2.78Å
138	Y	98	Very high	96.3	Very high	9 Å²	9	31.5 Å²	31.5	4%	0.035	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-79.4	151.6	173.4	-73	-80	0	0	0	111.5	L153 I157 L159 I334 V335 R336	Y138-L153 PolarHBondContact O-N 2.78Å; Y138-I157 WeakPolarHBondContact CD2-O 3.26Å; Y138-L159 HydrophobicContact CD1-CB 3.52Å; Y138-L159 HydrophobicContact CD1-CD2 3.99Å; Y138-L159 HydrophobicContact CD1-CG 4.41Å; Y138-L159 HydrophobicContact CD2-CB 3.89Å; Y138-L159 HydrophobicContact CE1-CB 3.98Å; Y138-L159 HydrophobicContact CE2-CB 4.32Å; Y138-L159 HydrophobicContact CG-CB 3.46Å; Y138-L159 VanDerWaalsContact CG-CB 3.46Å; Y138-L159 HydrophobicContact CG-CD2 4.44Å; Y138-I334 HydrophobicContact CE1-CG2 3.95Å; Y138-V335 VanDerWaalsContact CD1-O 3.3Å; Y138-V335 WeakPolarHBondContact CD1-O 3.17Å; Y138-R336 HydrophobicContact CD1-CB 4.47Å; Y138-R336 HydrophobicContact CD1-CG 3.99Å; Y138-R336 HydrophobicContact CD2-CG 4.39Å; Y138-R336 HydrophobicContact CE1-CB 4.38Å; Y138-R336 HydrophobicContact CE1-CG 3.57Å; Y138-R336 HydrophobicContact CE2-CG 4Å; Y138-R336 VanDerWaalsContact CE2-NH1 3.31Å; Y138-R336 HydrophobicContact CG-CG 4.39Å
139	W	98.2	Very high	96.2	Very high	1 Å²	1	32 Å²	32	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	136.5	171.9	-70.2	80	0	0	0	110.5	W150 R151 Q152 D190 V193 L338 R340 I341	W139-W150 HydrophobicContact CB-CE3 4.12Å; W139-W150 HydrophobicContact CB-CZ3 4.34Å; W139-W150 HydrophobicContact CE3-CB 4.48Å; W139-R151 WeakPolarHBondContact CA-O 3.3Å; W139-Q152 HydrophobicContact CD2-CB 4.02Å; W139-Q152 HydrophobicContact CD2-CG 4.32Å; W139-Q152 HydrophobicContact CE3-CB 4.04Å; W139-Q152 HydrophobicContact CH2-CB 3.85Å; W139-Q152 HydrophobicContact CH2-CG 4.47Å; W139-Q152 HydrophobicContact CZ2-CB 3.82Å; W139-Q152 HydrophobicContact CZ2-CG 3.94Å; W139-Q152 HydrophobicContact CZ3-CB 3.96Å; W139-D190 HydrophobicContact CH2-CB 3.83Å; W139-D190 HydrophobicContact CZ3-CB 4Å; W139-V193 HydrophobicContact CE3-CG2 4.18Å; W139-V193 HydrophobicContact CH2-CG2 4.35Å; W139-V193 HydrophobicContact CZ3-CG2 3.65Å; W139-L338 HydrophobicContact CD2-CD2 3.84Å; W139-L338 VanDerWaalsContact CE2-CD2 3.46Å; W139-L338 HydrophobicContact CE3-CD2 4.19Å; W139-L338 HydrophobicContact CG-CD2 4.45Å; W139-L338 HydrophobicContact CH2-CD2 3.88Å; W139-L338 HydrophobicContact CZ2-CD2 3.49Å; W139-L338 VanDerWaalsContact CZ2-CD2 3.49Å; W139-L338 HydrophobicContact CZ2-CG 4Å; W139-L338 HydrophobicContact CZ3-CD2 4.21Å; W139-R340 WeakPolarHBondContact O-CD 3.43Å; W139-R340 PolarHBondContact O-NH1 2.82Å; W139-I341 HydrophobicContact CB-CD1 4.49Å; W139-I341 HydrophobicContact CB-CG1 4.36Å; W139-I341 HydrophobicContact CD2-CD1 4.43Å; W139-I341 HydrophobicContact CE3-CD1 4.21Å
140	V	97.4	Very high	96.2	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	145.6	-177.4	65.3	0	0	0	0	110.9	W150 R151 L153 L159 Y167	V140-W150 VanDerWaalsContact C-CE3 3.49Å; V140-W150 WeakPolarHBondContact O-CA 3.46Å; V140-R151 PolarHBondContact N-O 2.6Å; V140-R151 PolarHBondContact O-N 2.65Å; V140-L153 HydrophobicContact CB-CD1 4.28Å; V140-L153 HydrophobicContact CG1-CD1 3.85Å; V140-L153 HydrophobicContact CG1-CD2 3.8Å; V140-L153 HydrophobicContact CG1-CG 3.76Å; V140-L159 HydrophobicContact CB-CD1 4.21Å; V140-L159 HydrophobicContact CG2-CD1 4.11Å; V140-Y167 HydrophobicContact CB-CD1 4.38Å; V140-Y167 HydrophobicContact CB-CG 4.37Å; V140-Y167 HydrophobicContact CG1-CD1 3.52Å; V140-Y167 HydrophobicContact CG1-CD2 3.74Å; V140-Y167 HydrophobicContact CG1-CE1 3.67Å; V140-Y167 HydrophobicContact CG1-CE2 3.86Å; V140-Y167 HydrophobicContact CG1-CG 3.57Å; V140-Y167 HydrophobicContact CG2-CD1 4.07Å; V140-Y167 HydrophobicContact CG2-CG 3.86Å
141	Q	96.9	Very high	96.2	Very high	70 Å²	70	34 Å²	34	33%	0.327	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	143.2	-178.5	-158.9	178.1	13.1	0	0	110.8	T143 G148 W150	Q141-T143 PolarHBondContact O-N 2.85Å; Q141-G148 WeakPolarHBondContact CG-O 3.13Å; Q141-G148 PolarHBondContact NE2-O 3.44Å; Q141-W150 HydrophobicContact CB-CD2 3.94Å; Q141-W150 HydrophobicContact CB-CE3 4.17Å; Q141-W150 HydrophobicContact CB-CH2 4.34Å; Q141-W150 HydrophobicContact CB-CZ2 4.07Å; Q141-W150 HydrophobicContact CB-CZ3 4.38Å; Q141-W150 HydrophobicContact CG-CD2 4.16Å; Q141-W150 HydrophobicContact CG-CG 4.33Å; Q141-W150 HydrophobicContact CG-CZ2 4.38Å
142	C	96.1	Very high	96.1	Very high	6 Å²	6	37.2 Å²	37.2	4%	0.041	20%	0.202	C	C	.	.			trans	-75.8	119.4	178.5	-170.7	0	0	0	0	111.8	K144 C147 K149 C169	C142-K144 PolarHBondContact O-N 2.9Å; C142-K144 VanDerWaalsContact O-N 3.09Å; C142-C147 HydrophobicContact CB-CB 4.41Å; C142-K149 VanDerWaalsContact CB-O 3.29Å; C142-K149 WeakPolarHBondContact CB-O 3.44Å; C142-K149 PolarHBondContact N-O 2.83Å; C142-C169 PolarHBondContact SG-N 3.43Å; C142-C169 VanDerWaalsContact SG-N 3.38Å
143	T	94.4	Very high	96	Very high	57 Å²	57	36.3 Å²	36.3	35%	0.35	19%	0.192	S	C	.	.			trans	-73.1	6.7	179.2	62	0	0	0	0	115.3	Q141 P145 Y167	Q141-T143 PolarHBondContact O-N 2.85Å; T143-P145 WeakPolarHBondContact O-CD 3.23Å; T143-Y167 WeakPolarHBondContact CB-O 3.47Å; T143-Y167 WeakPolarHBondContact CG2-O 3.46Å; T143-Y167 PolarHBondContact N-O 3.04Å; T143-Y167 PolarHBondContact OG1-O 3.29Å
144	K	92.9	Very high	95.7	Very high	40 Å²	40	39.3 Å²	39.3	17%	0.174	21%	0.211	C	C	.	.			trans	-80.5	113.2	173.1	178.1	-177	-177.8	-172	0	106.6	C142 E146 C147 G148 D183 C185	C142-K144 PolarHBondContact O-N 2.9Å; C142-K144 VanDerWaalsContact O-N 3.09Å; K144-E146 VanDerWaalsContact C-N 3.27Å; K144-E146 HydrophobicContact CD-CG 4.39Å; K144-E146 VanDerWaalsContact CE-CD 3.42Å; K144-E146 WeakPolarHBondContact CE-OE1 3.39Å; K144-E146 HydrophobicContact CG-CG 4.1Å; K144-E146 WeakPolarHBondContact CG-OE1 3.38Å; K144-E146 VanDerWaalsContact CG-OE2 3.23Å; K144-E146 WeakPolarHBondContact CG-OE2 3.46Å; K144-E146 PolarHBondContact O-N 3.26Å; K144-C147 HydrophobicContact CB-CB 3.89Å; K144-C147 HydrophobicContact CD-CB 4.04Å; K144-C147 HydrophobicContact CG-CB 4.05Å; K144-C147 WeakPolarHBondContact O-CA 3.42Å; K144-C147 WeakPolarHBondContact O-CB 3.3Å; K144-C147 PolarHBondContact O-N 3.47Å; K144-G148 PolarHBondContact O-N 2.79Å; K144-D183 IonicContact NZ-OD1 3.07Å; K144-D183 PolarHBondContact NZ-OD1 3.39Å; K144-D183 VanDerWaalsContact NZ-OD1 3.16Å; K144-D183 IonicContact NZ-OD2 3.25Å; K144-C185 HydrophobicContact CD-CB 4.11Å; K144-C185 WeakPolarHBondContact CD-SG 3.29Å
145	P	90.5	Very high	95.3	Very high	118 Å²	118	40.4 Å²	40.4	77%	0.766	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-40.2	-169.1	-28.6	35.9	0	0	0	114	T143 C147	T143-P145 WeakPolarHBondContact O-CD 3.23Å; P145-C147 PolarHBondContact O-N 2.83Å
146	E	93.8	Very high	94.8	Very high	143 Å²	143	46.2 Å²	46.2	67%	0.668	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	9.1	178	72.6	-83.3	-159	0	0	114.2	K144	K144-E146 VanDerWaalsContact C-N 3.27Å; K144-E146 HydrophobicContact CD-CG 4.39Å; K144-E146 VanDerWaalsContact CE-CD 3.42Å; K144-E146 WeakPolarHBondContact CE-OE1 3.39Å; K144-E146 HydrophobicContact CG-CG 4.1Å; K144-E146 WeakPolarHBondContact CG-OE1 3.38Å; K144-E146 VanDerWaalsContact CG-OE2 3.23Å; K144-E146 WeakPolarHBondContact CG-OE2 3.46Å; K144-E146 PolarHBondContact O-N 3.26Å
147	C	94.6	Very high	94.6	Very high	24 Å²	24	47 Å²	47	16%	0.162	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-59.2	179.2	-178.7	0	0	0	0	112.6	C142 K144 P145 K149 C185	C142-C147 HydrophobicContact CB-CB 4.41Å; K144-C147 HydrophobicContact CB-CB 3.89Å; K144-C147 HydrophobicContact CD-CB 4.04Å; K144-C147 HydrophobicContact CG-CB 4.05Å; K144-C147 WeakPolarHBondContact O-CA 3.42Å; K144-C147 WeakPolarHBondContact O-CB 3.3Å; K144-C147 PolarHBondContact O-N 3.47Å; P145-C147 PolarHBondContact O-N 2.83Å; C147-K149 PolarHBondContact O-N 3.45Å; C147-C185 HydrophobicContact CB-CB 4.04Å; C147-C185 VanDerWaalsContact SG-CB 3.52Å
148	G	93.6	Very high	94.4	Very high	29 Å²	29	51 Å²	51	30%	0.299	26%	0.264	S	S	.	.			trans	61.1	-12.3	-179.5	0	0	0	0	0	117.8	Q141 K144	Q141-G148 WeakPolarHBondContact CG-O 3.13Å; Q141-G148 PolarHBondContact NE2-O 3.44Å; K144-G148 PolarHBondContact O-N 2.79Å
149	K	97.1	Very high	94.3	Very high	48 Å²	48	50.9 Å²	50.9	21%	0.209	26%	0.264	C	S	.	.			trans	-61.6	141.4	-173.9	-67.3	176.1	-178.5	170.1	0	114.1	C142 C147 C185 S186 M187 E189	C142-K149 VanDerWaalsContact CB-O 3.29Å; C142-K149 WeakPolarHBondContact CB-O 3.44Å; C142-K149 PolarHBondContact N-O 2.83Å; C147-K149 PolarHBondContact O-N 3.45Å; K149-C185 PolarHBondContact NZ-O 2.77Å; K149-S186 PolarHBondContact NZ-O 2.75Å; K149-S186 VanDerWaalsContact NZ-O 3.12Å; K149-M187 PolarHBondContact NZ-O 2.96Å; K149-E189 VanDerWaalsContact CA-OE1 3.28Å; K149-E189 WeakPolarHBondContact CA-OE1 3.08Å; K149-E189 HydrophobicContact CD-CB 4.43Å; K149-E189 HydrophobicContact CG-CB 4.33Å
150	W	97.9	Very high	94.2	Very high	17 Å²	17	53.7 Å²	53.7	6%	0.064	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	145.8	168.6	-71.7	87.6	0	0	0	112.4	W139 V140 Q141 E189 V193 I341 V344	W139-W150 HydrophobicContact CB-CE3 4.12Å; W139-W150 HydrophobicContact CB-CZ3 4.34Å; W139-W150 HydrophobicContact CE3-CB 4.48Å; V140-W150 VanDerWaalsContact C-CE3 3.49Å; V140-W150 WeakPolarHBondContact O-CA 3.46Å; Q141-W150 HydrophobicContact CB-CD2 3.94Å; Q141-W150 HydrophobicContact CB-CE3 4.17Å; Q141-W150 HydrophobicContact CB-CH2 4.34Å; Q141-W150 HydrophobicContact CB-CZ2 4.07Å; Q141-W150 HydrophobicContact CB-CZ3 4.38Å; Q141-W150 HydrophobicContact CG-CD2 4.16Å; Q141-W150 HydrophobicContact CG-CG 4.33Å; Q141-W150 HydrophobicContact CG-CZ2 4.38Å; W150-E189 PolarHBondContact N-OE1 2.85Å; W150-V193 HydrophobicContact CB-CG1 4.07Å; W150-V193 HydrophobicContact CB-CG2 3.92Å; W150-V193 HydrophobicContact CG-CG1 4.15Å; W150-I341 HydrophobicContact CB-CD1 4.17Å; W150-I341 HydrophobicContact CD2-CD1 3.88Å; W150-I341 HydrophobicContact CD2-CG1 3.79Å; W150-I341 HydrophobicContact CD2-CG2 4.29Å; W150-I341 HydrophobicContact CE3-CD1 4Å; W150-I341 HydrophobicContact CE3-CG1 3.66Å; W150-I341 HydrophobicContact CG-CD1 3.96Å; W150-I341 HydrophobicContact CG-CG1 4.38Å; W150-I341 HydrophobicContact CH2-CB 4.36Å; W150-I341 HydrophobicContact CH2-CG1 4.08Å; W150-I341 HydrophobicContact CZ2-CB 4.27Å; W150-I341 HydrophobicContact CZ2-CG1 4.25Å; W150-I341 HydrophobicContact CZ2-CG2 3.99Å; W150-I341 HydrophobicContact CZ3-CG1 3.79Å; W150-V344 HydrophobicContact CH2-CB 3.97Å; W150-V344 HydrophobicContact CH2-CG1 4.1Å; W150-V344 HydrophobicContact CH2-CG2 3.96Å; W150-V344 HydrophobicContact CZ2-CB 4.06Å; W150-V344 HydrophobicContact CZ2-CG1 3.82Å
151	R	97.3	Very high	94	Very high	35 Å²	35	56.1 Å²	56.1	13%	0.132	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	135.3	179.8	-61.9	-62.9	-178.4	-147.1	13.9	110.4	W139 V140 Y167 C169 Q184 M187 P188	W139-R151 WeakPolarHBondContact CA-O 3.3Å; V140-R151 PolarHBondContact N-O 2.6Å; V140-R151 PolarHBondContact O-N 2.65Å; R151-Y167 HydrophobicContact CB-CE1 3.94Å; R151-Y167 WeakPolarHBondContact CB-OH 3.12Å; R151-Y167 HydrophobicContact CG-CE1 3.93Å; R151-C169 PolarHBondContact NE-SG 3.01Å; R151-Q184 PolarHBondContact NH2-O 3.44Å; R151-M187 PolarHBondContact NH2-O 3.02Å; R151-P188 PolarHBondContact NH1-O 3.13Å
152	Q	96.9	Very high	93.9	Very high	69 Å²	69	58.3 Å²	58.3	32%	0.322	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	127.5	167.6	-166.2	162.6	35.4	0	0	108.7	P137 W139 R192	P137-Q152 HydrophobicContact CB-CG 3.8Å; P137-Q152 HydrophobicContact CG-CG 4.46Å; W139-Q152 HydrophobicContact CD2-CB 4.02Å; W139-Q152 HydrophobicContact CD2-CG 4.32Å; W139-Q152 HydrophobicContact CE3-CB 4.04Å; W139-Q152 HydrophobicContact CH2-CB 3.85Å; W139-Q152 HydrophobicContact CH2-CG 4.47Å; W139-Q152 HydrophobicContact CZ2-CB 3.82Å; W139-Q152 HydrophobicContact CZ2-CG 3.94Å; W139-Q152 HydrophobicContact CZ3-CB 3.96Å; Q152-R192 VanDerWaalsContact OE1-NH2 3.08Å
153	L	95.2	Very high	93.8	Very high	10 Å²	10	59.3 Å²	59.3	5%	0.052	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-80.5	154.6	172.6	-66.4	171.7	0	0	0	110	P137 Y138 V140 I157 L159 Y167	P137-L153 WeakPolarHBondContact CB-O 3.49Å; Y138-L153 PolarHBondContact O-N 2.78Å; V140-L153 HydrophobicContact CB-CD1 4.28Å; V140-L153 HydrophobicContact CG1-CD1 3.85Å; V140-L153 HydrophobicContact CG1-CD2 3.8Å; V140-L153 HydrophobicContact CG1-CG 3.76Å; L153-I157 HydrophobicContact CB-CB 4.23Å; L153-I157 HydrophobicContact CB-CD1 4.38Å; L153-I157 HydrophobicContact CB-CG2 4.24Å; L153-I157 HydrophobicContact CD1-CG2 3.92Å; L153-I157 HydrophobicContact CD2-CD1 4.24Å; L153-I157 HydrophobicContact CD2-CG2 4.49Å; L153-I157 HydrophobicContact CG-CG2 4.44Å; L153-L159 HydrophobicContact CD1-CB 4.47Å; L153-L159 HydrophobicContact CD1-CD1 4.02Å; L153-Y167 HydrophobicContact CD2-CD2 4.32Å; L153-Y167 HydrophobicContact CD2-CE2 3.76Å
154	T	91.5	Very high	93.9	Very high	75 Å²	75	57 Å²	57	46%	0.46	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-67.8	153.1	174.8	53.5	0	0	0	0	110.9	E156 I157	T154-E156 WeakPolarHBondContact CB-OE1 3.35Å; T154-E156 WeakPolarHBondContact CB-OE2 3.33Å; T154-E156 PolarHBondContact O-N 3.46Å; T154-E156 VanDerWaalsContact O-N 3.14Å; T154-E156 VanDerWaalsContact OG1-CD 3.24Å; T154-E156 PolarHBondContact OG1-OE1 3.3Å; T154-I157 WeakPolarHBondContact O-CB 3.21Å; T154-I157 PolarHBondContact O-N 3.46Å; T154-I157 WeakPolarHBondContact OG1-CD1 3.2Å; T154-I157 WeakPolarHBondContact OG1-CG1 3.36Å
155	K	87.3	Confident	93.9	Very high	72 Å²	72	61 Å²	61	31%	0.313	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-31.9	-164.7	179	-179.2	166.5	-171.7	0	113.8	A67 S68	A67-K155 WeakPolarHBondContact O-CE 3.13Å; A67-K155 PolarHBondContact O-NZ 2.67Å; S68-K155 PolarHBondContact O-NZ 2.68Å; S68-K155 VanDerWaalsContact O-NZ 3.16Å
156	E	87.8	Confident	94.1	Very high	129 Å²	129	58.1 Å²	58.1	60%	0.603	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-22.8	179.4	68	-74	173.8	0	0	113.9	T154 Q158	T154-E156 WeakPolarHBondContact CB-OE1 3.35Å; T154-E156 WeakPolarHBondContact CB-OE2 3.33Å; T154-E156 PolarHBondContact O-N 3.46Å; T154-E156 VanDerWaalsContact O-N 3.14Å; T154-E156 VanDerWaalsContact OG1-CD 3.24Å; T154-E156 PolarHBondContact OG1-OE1 3.3Å; E156-Q158 PolarHBondContact O-N 3.45Å; E156-Q158 PolarHBondContact O-NE2 3.42Å
157	I	92.2	Very high	94.2	Very high	24 Å²	24	51.9 Å²	51.9	12%	0.123	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-72.7	128.1	179.6	-64.4	173	0	0	0	109.9	Y138 L153 T154 L173	Y138-I157 WeakPolarHBondContact CD2-O 3.26Å; L153-I157 HydrophobicContact CB-CB 4.23Å; L153-I157 HydrophobicContact CB-CD1 4.38Å; L153-I157 HydrophobicContact CB-CG2 4.24Å; L153-I157 HydrophobicContact CD1-CG2 3.92Å; L153-I157 HydrophobicContact CD2-CD1 4.24Å; L153-I157 HydrophobicContact CD2-CG2 4.49Å; L153-I157 HydrophobicContact CG-CG2 4.44Å; T154-I157 WeakPolarHBondContact O-CB 3.21Å; T154-I157 PolarHBondContact O-N 3.46Å; T154-I157 WeakPolarHBondContact OG1-CD1 3.2Å; T154-I157 WeakPolarHBondContact OG1-CG1 3.36Å; I157-L173 HydrophobicContact CD1-CD1 4.16Å; I157-L173 HydrophobicContact CG2-CD1 3.58Å
158	Q	93.5	Very high	94.2	Very high	93 Å²	93	57 Å²	57	44%	0.435	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-96	125.6	168.1	-49.4	-44.9	-58.9	0	0	108.9	E156 I163	E156-Q158 PolarHBondContact O-N 3.45Å; E156-Q158 PolarHBondContact O-NE2 3.42Å; Q158-I163 VanDerWaalsContact O-CD1 3.22Å; Q158-I163 WeakPolarHBondContact O-CD1 3.42Å
159	L	95.4	Very high	94.1	Very high	7 Å²	7	56.3 Å²	56.3	4%	0.037	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-73.1	133.8	176.2	-177.6	66.5	0	0	0	110	Y138 V140 L153 I163 A164 I334 R340	Y138-L159 HydrophobicContact CD1-CB 3.52Å; Y138-L159 HydrophobicContact CD1-CD2 3.99Å; Y138-L159 HydrophobicContact CD1-CG 4.41Å; Y138-L159 HydrophobicContact CD2-CB 3.89Å; Y138-L159 HydrophobicContact CE1-CB 3.98Å; Y138-L159 HydrophobicContact CE2-CB 4.32Å; Y138-L159 HydrophobicContact CG-CB 3.46Å; Y138-L159 VanDerWaalsContact CG-CB 3.46Å; Y138-L159 HydrophobicContact CG-CD2 4.44Å; V140-L159 HydrophobicContact CB-CD1 4.21Å; V140-L159 HydrophobicContact CG2-CD1 4.11Å; L153-L159 HydrophobicContact CD1-CB 4.47Å; L153-L159 HydrophobicContact CD1-CD1 4.02Å; L159-I163 HydrophobicContact CD1-CB 4.13Å; L159-I163 HydrophobicContact CD1-CG2 3.78Å; L159-A164 HydrophobicContact CD1-CB 4.28Å; L159-I334 HydrophobicContact CD2-CD1 4.12Å; L159-I334 HydrophobicContact CG-CD1 3.94Å; L159-R340 VanDerWaalsContact CD2-NE 3.34Å
160	T	95.4	Very high	93.6	Very high	60 Å²	60	55.6 Å²	55.6	37%	0.368	28%	0.28	S	S	.	.			trans	-126.6	162.2	173.2	69.8	0	0	0	0	110	Q162 I163 A164	T160-Q162 PolarHBondContact O-N 3.44Å; T160-I163 HydrophobicContact CG2-CD1 4.16Å; T160-I163 PolarHBondContact O-N 2.73Å; T160-I163 VanDerWaalsContact O-N 3.11Å; T160-I163 WeakPolarHBondContact OG1-CD1 3.47Å; T160-I163 WeakPolarHBondContact OG1-CG1 3.45Å; T160-I163 PolarHBondContact OG1-N 3.18Å; T160-A164 PolarHBondContact O-N 3.08Å
161	P	94.6	Very high	93	Very high	52 Å²	52	58.4 Å²	58.4	34%	0.338	29%	0.294	S	S	.	.	H	α-helix	trans	-56	-36.5	176	-27.3	35.5	0	0	0	113.6	A164 K165 H331 I334	P161-A164 PolarHBondContact O-N 2.81Å; P161-K165 VanDerWaalsContact O-CB 3.25Å; P161-K165 WeakPolarHBondContact O-CB 3.49Å; P161-K165 PolarHBondContact O-N 3.17Å; P161-H331 VanDerWaalsContact CA-O 3.23Å; P161-H331 WeakPolarHBondContact CA-O 3.27Å; P161-H331 HydrophobicContact CB-CB 4.05Å; P161-H331 WeakPolarHBondContact CB-O 3.44Å; P161-H331 WeakPolarHBondContact CG-O 3.31Å; P161-I334 HydrophobicContact CG-CD1 4.37Å; P161-I334 HydrophobicContact CG-CG1 4.48Å
162	Q	93.9	Very high	92.1	Very high	117 Å²	117	64.4 Å²	64.4	55%	0.547	32%	0.321	S	S	.	.	H	α-helix	trans	-70.1	-34.7	178.1	-177.2	58.7	17.1	0	0	112.9	T160 T166	T160-Q162 PolarHBondContact O-N 3.44Å; Q162-T166 PolarHBondContact O-N 3.22Å; Q162-T166 PolarHBondContact O-OG1 2.8Å
163	I	95	Very high	90.8	Very high	26 Å²	26	63.8 Å²	63.8	13%	0.133	32%	0.32	C	S	.	.	H	α-helix	trans	-65.6	-51	171.2	-67	161.6	0	0	0	109.1	Q158 L159 T160 K165 T166 Y167 L173	Q158-I163 VanDerWaalsContact O-CD1 3.22Å; Q158-I163 WeakPolarHBondContact O-CD1 3.42Å; L159-I163 HydrophobicContact CD1-CB 4.13Å; L159-I163 HydrophobicContact CD1-CG2 3.78Å; T160-I163 HydrophobicContact CG2-CD1 4.16Å; T160-I163 PolarHBondContact O-N 2.73Å; T160-I163 VanDerWaalsContact O-N 3.11Å; T160-I163 WeakPolarHBondContact OG1-CD1 3.47Å; T160-I163 WeakPolarHBondContact OG1-CG1 3.45Å; T160-I163 PolarHBondContact OG1-N 3.18Å; I163-K165 PolarHBondContact O-N 3.17Å; I163-T166 PolarHBondContact O-N 2.88Å; I163-T166 VanDerWaalsContact O-N 3.11Å; I163-Y167 VanDerWaalsContact O-CB 3.3Å; I163-Y167 WeakPolarHBondContact O-CB 3.47Å; I163-Y167 PolarHBondContact O-N 3.11Å; I163-L173 HydrophobicContact CD1-CD1 3.75Å; I163-L173 HydrophobicContact CG1-CD1 3.99Å; I163-L173 HydrophobicContact CG1-CD2 4.29Å; I163-L173 HydrophobicContact CG2-CD1 3.87Å; I163-L173 HydrophobicContact CG2-CD2 4.31Å
164	A	94.6	Very high	89.2	Confident	8 Å²	8	69.9 Å²	69.9	7%	0.066	35%	0.352	C	S	.	.	H	α-helix	trans	-55.7	-38.4	178.7	0	0	0	0	0	112.6	L159 T160 P161 T166	L159-A164 HydrophobicContact CD1-CB 4.28Å; T160-A164 PolarHBondContact O-N 3.08Å; P161-A164 PolarHBondContact O-N 2.81Å; A164-T166 VanDerWaalsContact C-N 3.34Å; A164-T166 PolarHBondContact O-N 3.22Å
165	K	94.6	Very high	87.1	Confident	124 Å²	124	72.3 Å²	72.3	54%	0.539	36%	0.363	S	S	.	.	H	α-helix	trans	-70.6	-21.3	179.9	-175.2	172.6	178.5	179.8	0	115.1	P161 I163 H331	P161-K165 VanDerWaalsContact O-CB 3.25Å; P161-K165 WeakPolarHBondContact O-CB 3.49Å; P161-K165 PolarHBondContact O-N 3.17Å; I163-K165 PolarHBondContact O-N 3.17Å; K165-H331 WeakPolarHBondContact CA-CD2 3.43Å; K165-H331 WeakPolarHBondContact CA-NE2 3.3Å; K165-H331 PolarHBondContact N-CD2 3.29Å
166	T	94.7	Very high	84.8	Confident	58 Å²	58	75.1 Å²	75.1	36%	0.356	39%	0.391	S	S	.	.	H	α-helix	trans	-125.6	-5.1	-172.4	58	0	0	0	0	114.3	Q162 I163 A164 R168 M171	Q162-T166 PolarHBondContact O-N 3.22Å; Q162-T166 PolarHBondContact O-OG1 2.8Å; I163-T166 PolarHBondContact O-N 2.88Å; I163-T166 VanDerWaalsContact O-N 3.11Å; A164-T166 VanDerWaalsContact C-N 3.34Å; A164-T166 PolarHBondContact O-N 3.22Å; T166-R168 PolarHBondContact O-N 2.97Å; T166-M171 VanDerWaalsContact O-SD 3.34Å
167	Y	94.9	Very high	82.6	Confident	12 Å²	12	73.9 Å²	73.9	5%	0.047	39%	0.393	C	S	.	.			trans	-61	134.7	-171.8	-177.9	-94.5	0	0	0	113.5	V140 T143 R151 L153 I163 M171	V140-Y167 HydrophobicContact CB-CD1 4.38Å; V140-Y167 HydrophobicContact CB-CG 4.37Å; V140-Y167 HydrophobicContact CG1-CD1 3.52Å; V140-Y167 HydrophobicContact CG1-CD2 3.74Å; V140-Y167 HydrophobicContact CG1-CE1 3.67Å; V140-Y167 HydrophobicContact CG1-CE2 3.86Å; V140-Y167 HydrophobicContact CG1-CG 3.57Å; V140-Y167 HydrophobicContact CG2-CD1 4.07Å; V140-Y167 HydrophobicContact CG2-CG 3.86Å; T143-Y167 WeakPolarHBondContact CB-O 3.47Å; T143-Y167 WeakPolarHBondContact CG2-O 3.46Å; T143-Y167 PolarHBondContact N-O 3.04Å; T143-Y167 PolarHBondContact OG1-O 3.29Å; R151-Y167 HydrophobicContact CB-CE1 3.94Å; R151-Y167 WeakPolarHBondContact CB-OH 3.12Å; R151-Y167 HydrophobicContact CG-CE1 3.93Å; L153-Y167 HydrophobicContact CD2-CD2 4.32Å; L153-Y167 HydrophobicContact CD2-CE2 3.76Å; I163-Y167 VanDerWaalsContact O-CB 3.3Å; I163-Y167 WeakPolarHBondContact O-CB 3.47Å; I163-Y167 PolarHBondContact O-N 3.11Å; Y167-M171 HydrophobicContact CD2-CB 4.42Å; Y167-M171 HydrophobicContact CE2-CB 4.34Å
168	R	94.3	Very high	80.6	Confident	133 Å²	133	82 Å²	82	50%	0.502	43%	0.428	S	S	.	.			trans	-130.3	151	167.9	-64.4	-176	171.1	-149.5	-6.2	109.3	T166 G170 M171	T166-R168 PolarHBondContact O-N 2.97Å; R168-G170 PolarHBondContact O-N 3.2Å; R168-M171 HydrophobicContact CB-CG 4.13Å; R168-M171 HydrophobicContact CB-SD 3.88Å; R168-M171 HydrophobicContact CG-SD 4.32Å; R168-M171 PolarHBondContact N-SD 2.58Å; R168-M171 WeakPolarHBondContact O-CB 3.49Å; R168-M171 WeakPolarHBondContact O-CG 3.11Å; R168-M171 PolarHBondContact O-N 2.76Å; R168-M171 VanDerWaalsContact O-N 3.08Å
169	C	93	Very high	78.4	Confident	14 Å²	14	82.5 Å²	82.5	10%	0.095	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	129.5	178	-65.4	0	0	0	0	111.3	C142 R151 M171 Q184	C142-C169 PolarHBondContact SG-N 3.43Å; C142-C169 VanDerWaalsContact SG-N 3.38Å; R151-C169 PolarHBondContact NE-SG 3.01Å; C169-M171 PolarHBondContact O-N 3.03Å; C169-Q184 HydrophobicContact CB-CB 3.73Å; C169-Q184 VanDerWaalsContact CB-O 3.26Å; C169-Q184 WeakPolarHBondContact CB-O 3.37Å; C169-Q184 WeakPolarHBondContact O-CB 3.42Å
170	G	84.6	Confident	76.2	Confident	33 Å²	33	91 Å²	91	34%	0.34	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	1.1	178.6	0	0	0	0	0	116.5	R168 K172	R168-G170 PolarHBondContact O-N 3.2Å; G170-K172 PolarHBondContact O-N 3.44Å; G170-K172 VanDerWaalsContact O-N 3.13Å
171	M	86.3	Confident	74.2	Confident	75 Å²	75	90.8 Å²	90.8	37%	0.369	49%	0.486	S	S	.	.			trans	-59.4	116.3	175.1	-82.6	-179.6	62.6	0	0	112.2	T166 Y167 R168 C169 L173	T166-M171 VanDerWaalsContact O-SD 3.34Å; Y167-M171 HydrophobicContact CD2-CB 4.42Å; Y167-M171 HydrophobicContact CE2-CB 4.34Å; R168-M171 HydrophobicContact CB-CG 4.13Å; R168-M171 HydrophobicContact CB-SD 3.88Å; R168-M171 HydrophobicContact CG-SD 4.32Å; R168-M171 PolarHBondContact N-SD 2.58Å; R168-M171 WeakPolarHBondContact O-CB 3.49Å; R168-M171 WeakPolarHBondContact O-CG 3.11Å; R168-M171 PolarHBondContact O-N 2.76Å; R168-M171 VanDerWaalsContact O-N 3.08Å; C169-M171 PolarHBondContact O-N 3.03Å; M171-L173 HydrophobicContact CE-CD2 4.24Å; M171-L173 PolarHBondContact O-N 2.9Å
172	K	77.3	Confident	72.9	Confident	161 Å²	161	93 Å²	93	70%	0.7	50%	0.503	S	S	*	.			trans	-87.4	102.8	171.6	-63.3	-177.5	-176.4	177.7	0	109.2	G170 N174	G170-K172 PolarHBondContact O-N 3.44Å; G170-K172 VanDerWaalsContact O-N 3.13Å; K172-N174 PolarHBondContact O-N 2.84Å
173	L	70.4	Confident	72.2	Confident	57 Å²	57	91.2 Å²	91.2	30%	0.298	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-8.3	-170	-61.8	174.8	0	0	0	115.4	I157 I163 M171	I157-L173 HydrophobicContact CD1-CD1 4.16Å; I157-L173 HydrophobicContact CG2-CD1 3.58Å; I163-L173 HydrophobicContact CD1-CD1 3.75Å; I163-L173 HydrophobicContact CG1-CD1 3.99Å; I163-L173 HydrophobicContact CG1-CD2 4.29Å; I163-L173 HydrophobicContact CG2-CD1 3.87Å; I163-L173 HydrophobicContact CG2-CD2 4.31Å; M171-L173 HydrophobicContact CE-CD2 4.24Å; M171-L173 PolarHBondContact O-N 2.9Å
174	N	61	Low	71.9	Confident	137 Å²	137	93.7 Å²	93.7	73%	0.733	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	1.9	-173.9	-63.2	3.5	0	0	0	114.3	K172	K172-N174 PolarHBondContact O-N 2.84Å
175	N	47.3	Very low	71.8	Confident	126 Å²	126	94 Å²	94	67%	0.674	51%	0.51	S	S	*	.			trans	-148	133.9	-179.4	-99.4	-30.6	0	0	0	112.7	T177	N175-T177 PolarHBondContact O-N 2.95Å; N175-T177 VanDerWaalsContact O-N 3.12Å
176	S	40.8	Very low	71.7	Confident	131 Å²	131	92 Å²	92	92%	0.916	51%	0.511	S	S	*	.			trans	-84.8	38.9	-178.2	48.8	0	0	0	0	113.9
177	T	40.8	Very low	71.7	Confident	104 Å²	104	94.2 Å²	94.2	64%	0.638	52%	0.519	S	S	*	.			trans	-116.2	138.1	-177.1	22.3	0	0	0	0	112.6	N175 T179	N175-T177 PolarHBondContact O-N 2.95Å; N175-T177 VanDerWaalsContact O-N 3.12Å; T177-T179 PolarHBondContact O-N 2.61Å
178	K	50.2	Low	71.7	Confident	195 Å²	195	98.6 Å²	98.6	85%	0.848	55%	0.548	S	S	*	.			trans	-64.1	122.8	170.3	-66	-179.4	-179.8	-179.8	0	109.4
179	T	46.4	Very low	71.8	Confident	102 Å²	102	95.5 Å²	95.5	63%	0.626	54%	0.54	S	S	*	.			trans	-101.6	99.1	162.7	49.1	0	0	0	0	109.8	T177 G181	T177-T179 PolarHBondContact O-N 2.61Å; T179-G181 PolarHBondContact O-N 2.83Å
180	E	51.3	Low	72	Confident	185 Å²	185	97.5 Å²	97.5	86%	0.864	55%	0.55	S	S	*	.			trans	-70.9	117.9	158.4	-68	174	174.2	0	0	107.5
181	G	52.3	Low	72.5	Confident	56 Å²	56	103.1 Å²	103.1	58%	0.577	57%	0.571	S	S	*	*			trans	166.1	93.7	-176.4	0	0	0	0	0	114.5	T179	T179-G181 PolarHBondContact O-N 2.83Å
182	S	66.5	Low	72.9	Confident	98 Å²	98	102.4 Å²	102.4	69%	0.685	56%	0.564	S	S	*	*	S	Bend	trans	59.8	141.2	179.1	66.5	0	0	0	0	116.2	Q184	S182-Q184 PolarHBondContact O-N 2.91Å; S182-Q184 PolarHBondContact OG-NE2 2.6Å
183	D	80.9	Confident	73.9	Confident	81 Å²	81	95.1 Å²	95.1	43%	0.433	53%	0.533	S	S	.	.			trans	-74.8	96.7	176.1	-179.1	46.1	0	0	0	110.8	K144 C185 S186	K144-D183 IonicContact NZ-OD1 3.07Å; K144-D183 PolarHBondContact NZ-OD1 3.39Å; K144-D183 VanDerWaalsContact NZ-OD1 3.16Å; K144-D183 IonicContact NZ-OD2 3.25Å; D183-C185 PolarHBondContact O-N 2.86Å; D183-C185 VanDerWaalsContact O-N 3.09Å; D183-C185 WeakPolarHBondContact OD1-CB 3.28Å; D183-C185 PolarHBondContact OD1-N 3.32Å; D183-S186 WeakPolarHBondContact O-CB 3.3Å; D183-S186 PolarHBondContact O-N 3.18Å; D183-S186 PolarHBondContact O-OG 2.79Å; D183-S186 PolarHBondContact OD2-N 3.01Å
184	Q	88.5	Confident	75	Confident	78 Å²	78	95.6 Å²	95.6	36%	0.364	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-12.3	177.6	-62.4	-68.8	-45.6	0	0	113.1	R151 C169 S182	R151-Q184 PolarHBondContact NH2-O 3.44Å; C169-Q184 HydrophobicContact CB-CB 3.73Å; C169-Q184 VanDerWaalsContact CB-O 3.26Å; C169-Q184 WeakPolarHBondContact CB-O 3.37Å; C169-Q184 WeakPolarHBondContact O-CB 3.42Å; S182-Q184 PolarHBondContact O-N 2.91Å; S182-Q184 PolarHBondContact OG-NE2 2.6Å
185	C	92	Very high	76.6	Confident	14 Å²	14	91.7 Å²	91.7	10%	0.095	52%	0.523	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-28.3	170.9	-63.8	0	0	0	0	112.9	K144 C147 K149 D183	K144-C185 HydrophobicContact CD-CB 4.11Å; K144-C185 WeakPolarHBondContact CD-SG 3.29Å; C147-C185 HydrophobicContact CB-CB 4.04Å; C147-C185 VanDerWaalsContact SG-CB 3.52Å; K149-C185 PolarHBondContact NZ-O 2.77Å; D183-C185 PolarHBondContact O-N 2.86Å; D183-C185 VanDerWaalsContact O-N 3.09Å; D183-C185 WeakPolarHBondContact OD1-CB 3.28Å; D183-C185 PolarHBondContact OD1-N 3.32Å
186	S	92.9	Very high	78.9	Confident	81 Å²	81	85.7 Å²	85.7	57%	0.566	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-39.3	175.5	70.8	0	0	0	0	112.3	K149 D183	K149-S186 PolarHBondContact NZ-O 2.75Å; K149-S186 VanDerWaalsContact NZ-O 3.12Å; D183-S186 WeakPolarHBondContact O-CB 3.3Å; D183-S186 PolarHBondContact O-N 3.18Å; D183-S186 PolarHBondContact O-OG 2.79Å; D183-S186 PolarHBondContact OD2-N 3.01Å
187	M	94.1	Very high	81.4	Confident	105 Å²	105	82.3 Å²	82.3	52%	0.517	47%	0.467	S	S	.	.	S	Bend	trans	-44	134.8	176.9	-70.7	-62.5	-66.7	0	0	112	K149 R151	K149-M187 PolarHBondContact NZ-O 2.96Å; R151-M187 PolarHBondContact NH2-O 3.02Å
188	P	95.6	Very high	83.8	Confident	104 Å²	104	80.9 Å²	80.9	68%	0.675	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-50.9	153.2	178	-28.8	35.8	0	0	0	113.2	R151	R151-P188 PolarHBondContact NH1-O 3.13Å
189	E	96.6	Very high	85.6	Confident	69 Å²	69	80.2 Å²	80.2	32%	0.322	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-73.5	156	165.6	-168.2	161.8	-124.1	0	0	110	K149 W150 L191 V193	K149-E189 VanDerWaalsContact CA-OE1 3.28Å; K149-E189 WeakPolarHBondContact CA-OE1 3.08Å; K149-E189 HydrophobicContact CD-CB 4.43Å; K149-E189 HydrophobicContact CG-CB 4.33Å; W150-E189 PolarHBondContact N-OE1 2.85Å; E189-L191 PolarHBondContact O-N 3.44Å; E189-V193 HydrophobicContact CG-CB 3.99Å; E189-V193 HydrophobicContact CG-CG1 4.22Å; E189-V193 HydrophobicContact CG-CG2 3.97Å
190	D	96.5	Very high	87.7	Confident	56 Å²	56	79.5 Å²	79.5	30%	0.299	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-72.2	125.1	173.7	-170.9	-54.2	0	0	0	108.8	W139 R192 V193	W139-D190 HydrophobicContact CH2-CB 3.83Å; W139-D190 HydrophobicContact CZ3-CB 4Å; D190-R192 PolarHBondContact O-N 3.08Å; D190-R192 VanDerWaalsContact OD1-CB 3.31Å; D190-R192 WeakPolarHBondContact OD1-CB 3.23Å; D190-R192 VanDerWaalsContact OD1-CG 3.32Å; D190-R192 WeakPolarHBondContact OD1-CG 3.48Å; D190-R192 IonicContact OD1-CZ 2.73Å; D190-R192 PolarHBondContact OD1-N 3.31Å; D190-R192 VanDerWaalsContact OD1-N 3.07Å; D190-R192 IonicContact OD1-NE 3.19Å; D190-R192 PolarHBondContact OD1-NE 3.23Å; D190-R192 IonicContact OD1-NH2 3.86Å; D190-R192 IonicContact OD2-CZ 3.22Å; D190-R192 IonicContact OD2-NE 2.63Å; D190-R192 PolarHBondContact OD2-NE 3.24Å; D190-R192 IonicContact OD2-NH2 2.77Å; D190-R192 PolarHBondContact OD2-NH2 2.95Å; D190-V193 HydrophobicContact CB-CG2 4.3Å; D190-V193 VanDerWaalsContact O-CB 3.28Å; D190-V193 WeakPolarHBondContact O-CB 3.32Å; D190-V193 WeakPolarHBondContact O-CG2 3.45Å; D190-V193 PolarHBondContact O-N 3.07Å
191	L	95.1	Very high	89.8	Confident	150 Å²	150	70.8 Å²	70.8	79%	0.785	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-27.3	-173.6	-60.4	177	0	0	0	113	E189 V193 A194	E189-L191 PolarHBondContact O-N 3.44Å; L191-V193 PolarHBondContact O-N 3.02Å; L191-A194 PolarHBondContact O-N 3.21Å
192	R	95.8	Very high	91.8	Very high	60 Å²	60	70 Å²	70	23%	0.226	38%	0.38	C	S	.	.	H	α-helix	trans	-64.7	-17.3	177	-60.2	174.5	-69	162.1	-1.4	113.5	G88 Q152 D190 V196 L338	G88-R192 WeakPolarHBondContact O-CD 3.47Å; G88-R192 PolarHBondContact O-NH1 2.83Å; Q152-R192 VanDerWaalsContact OE1-NH2 3.08Å; D190-R192 PolarHBondContact O-N 3.08Å; D190-R192 VanDerWaalsContact OD1-CB 3.31Å; D190-R192 WeakPolarHBondContact OD1-CB 3.23Å; D190-R192 VanDerWaalsContact OD1-CG 3.32Å; D190-R192 WeakPolarHBondContact OD1-CG 3.48Å; D190-R192 IonicContact OD1-CZ 2.73Å; D190-R192 PolarHBondContact OD1-N 3.31Å; D190-R192 VanDerWaalsContact OD1-N 3.07Å; D190-R192 IonicContact OD1-NE 3.19Å; D190-R192 PolarHBondContact OD1-NE 3.23Å; D190-R192 IonicContact OD1-NH2 3.86Å; D190-R192 IonicContact OD2-CZ 3.22Å; D190-R192 IonicContact OD2-NE 2.63Å; D190-R192 PolarHBondContact OD2-NE 3.24Å; D190-R192 IonicContact OD2-NH2 2.77Å; D190-R192 PolarHBondContact OD2-NH2 2.95Å; R192-V196 WeakPolarHBondContact O-CG2 3.21Å; R192-L338 HydrophobicContact CB-CD1 3.95Å; R192-L338 HydrophobicContact CB-CD2 4.49Å
193	V	96.9	Very high	93	Very high	8 Å²	8	69.3 Å²	69.3	5%	0.048	38%	0.375	C	S	.	.	H	α-helix	trans	-69	-39.9	175.5	174.6	0	0	0	0	110.9	W139 W150 E189 D190 L191 V196 I341	W139-V193 HydrophobicContact CE3-CG2 4.18Å; W139-V193 HydrophobicContact CH2-CG2 4.35Å; W139-V193 HydrophobicContact CZ3-CG2 3.65Å; W150-V193 HydrophobicContact CB-CG1 4.07Å; W150-V193 HydrophobicContact CB-CG2 3.92Å; W150-V193 HydrophobicContact CG-CG1 4.15Å; E189-V193 HydrophobicContact CG-CB 3.99Å; E189-V193 HydrophobicContact CG-CG1 4.22Å; E189-V193 HydrophobicContact CG-CG2 3.97Å; D190-V193 HydrophobicContact CB-CG2 4.3Å; D190-V193 VanDerWaalsContact O-CB 3.28Å; D190-V193 WeakPolarHBondContact O-CB 3.32Å; D190-V193 WeakPolarHBondContact O-CG2 3.45Å; D190-V193 PolarHBondContact O-N 3.07Å; L191-V193 PolarHBondContact O-N 3.02Å; V193-V196 PolarHBondContact O-N 2.98Å; V193-I341 HydrophobicContact CB-CD1 4.32Å; V193-I341 HydrophobicContact CG1-CD1 3.99Å; V193-I341 HydrophobicContact CG2-CD1 3.88Å
194	A	94.3	Very high	93.7	Very high	67 Å²	67	66.4 Å²	66.4	55%	0.554	36%	0.359	S	S	*	.	H	α-helix	trans	-61.8	-46.7	178.2	0	0	0	0	0	110.9	L191 V196 S197	L191-A194 PolarHBondContact O-N 3.21Å; A194-V196 PolarHBondContact O-N 2.92Å; A194-V196 VanDerWaalsContact O-N 3.08Å; A194-S197 WeakPolarHBondContact O-CB 3.35Å; A194-S197 PolarHBondContact O-N 3.44Å; A194-S197 VanDerWaalsContact O-N 3.08Å; A194-S197 PolarHBondContact O-OG 2.68Å
195	E	94.1	Very high	94.1	Very high	55 Å²	55	64.2 Å²	64.2	26%	0.257	35%	0.35	S	S	.	.	H	α-helix	trans	-53.8	-29.2	178	-67.3	-176.8	-133.8	0	0	113.7	T59 S197 D198 W201	T59-E195 PolarHBondContact OG1-OE2 2.86Å; E195-S197 PolarHBondContact O-N 3.44Å; E195-D198 PolarHBondContact O-N 3.07Å; E195-W201 VanDerWaalsContact O-CB 3.3Å; E195-W201 WeakPolarHBondContact O-CB 3.47Å
196	V	96	Very high	94.3	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-24.5	-178.5	-171.7	0	0	0	0	112.8	R192 V193 A194 D198 W201 L338 I341 R342	R192-V196 WeakPolarHBondContact O-CG2 3.21Å; V193-V196 PolarHBondContact O-N 2.98Å; A194-V196 PolarHBondContact O-N 2.92Å; A194-V196 VanDerWaalsContact O-N 3.08Å; V196-D198 VanDerWaalsContact C-N 3.33Å; V196-W201 HydrophobicContact CB-CD2 4.36Å; V196-W201 HydrophobicContact CG1-CD2 4.13Å; V196-W201 HydrophobicContact CG1-CE3 3.87Å; V196-W201 HydrophobicContact CG1-CH2 4.06Å; V196-W201 HydrophobicContact CG1-CZ2 4.26Å; V196-W201 HydrophobicContact CG1-CZ3 3.82Å; V196-W201 HydrophobicContact CG2-CH2 4.49Å; V196-W201 HydrophobicContact CG2-CZ2 3.97Å; V196-L338 HydrophobicContact CG2-CB 3.93Å; V196-L338 HydrophobicContact CG2-CD1 4.48Å; V196-L338 HydrophobicContact CG2-CD2 4Å; V196-L338 HydrophobicContact CG2-CG 4.37Å; V196-I341 HydrophobicContact CB-CB 4.44Å; V196-I341 HydrophobicContact CB-CG2 4.4Å; V196-I341 HydrophobicContact CG1-CB 4.02Å; V196-I341 HydrophobicContact CG1-CG2 4.3Å; V196-I341 HydrophobicContact CG2-CB 4.48Å; V196-I341 HydrophobicContact CG2-CD1 4.44Å; V196-R342 HydrophobicContact CG1-CB 3.7Å; V196-R342 WeakPolarHBondContact O-CD 3.13Å
197	S	91.9	Very high	94.4	Very high	60 Å²	60	65.5 Å²	65.5	42%	0.42	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-15.8	-177.1	-47	0	0	0	0	112.8	A194 E195 Q345	A194-S197 WeakPolarHBondContact O-CB 3.35Å; A194-S197 PolarHBondContact O-N 3.44Å; A194-S197 VanDerWaalsContact O-N 3.08Å; A194-S197 PolarHBondContact O-OG 2.68Å; E195-S197 PolarHBondContact O-N 3.44Å; S197-Q345 PolarHBondContact OG-NE2 3.41Å
198	D	92.5	Very high	94.6	Very high	74 Å²	74	62.5 Å²	62.5	40%	0.396	34%	0.337	S	S	.	.	S	Bend	trans	-72.4	134	-179.8	-77.5	-2.2	0	0	0	111.5	E195 V196 W200 W201	E195-D198 PolarHBondContact O-N 3.07Å; V196-D198 VanDerWaalsContact C-N 3.33Å; D198-W200 HydrophobicContact CB-CD2 4.37Å; D198-W200 HydrophobicContact CB-CG 4.27Å; D198-W200 HydrophobicContact CB-CZ2 4.28Å; D198-W200 VanDerWaalsContact CB-NE1 3.26Å; D198-W200 PolarHBondContact O-N 3.29Å; D198-W200 PolarHBondContact OD2-NE1 2.65Å; D198-W201 WeakPolarHBondContact O-CB 3.49Å; D198-W201 PolarHBondContact O-N 3.33Å
199	H	87.6	Confident	94.7	Very high	181 Å²	181	57.8 Å²	57.8	84%	0.838	31%	0.306	S	S	*	.	H	α-helix	trans	-54.7	-32	179.9	-61.1	-73.9	0	0	0	114.1	W201	H199-W201 VanDerWaalsContact C-N 3.31Å; H199-W201 PolarHBondContact O-N 3.14Å
200	W	91.3	Very high	94.8	Very high	88 Å²	88	55.9 Å²	55.9	33%	0.333	30%	0.298	S	S	.	.	H	α-helix	trans	-72.3	-22.6	178.9	65.2	-99.8	0	0	0	112.7	T59 C87 D198 Y202 S203 M204	T59-W200 HydrophobicContact CG2-CH2 3.74Å; T59-W200 HydrophobicContact CG2-CZ2 4.06Å; T59-W200 HydrophobicContact CG2-CZ3 4.34Å; C87-W200 HydrophobicContact CB-CH2 4.23Å; C87-W200 HydrophobicContact CB-CZ3 4.15Å; D198-W200 HydrophobicContact CB-CD2 4.37Å; D198-W200 HydrophobicContact CB-CG 4.27Å; D198-W200 HydrophobicContact CB-CZ2 4.28Å; D198-W200 VanDerWaalsContact CB-NE1 3.26Å; D198-W200 PolarHBondContact O-N 3.29Å; D198-W200 PolarHBondContact OD2-NE1 2.65Å; W200-Y202 PolarHBondContact O-N 3.34Å; W200-S203 WeakPolarHBondContact O-CB 3.34Å; W200-S203 PolarHBondContact O-N 3.27Å; W200-S203 VanDerWaalsContact O-N 3.13Å; W200-S203 PolarHBondContact O-OG 3.23Å; W200-M204 HydrophobicContact CE3-CG 3.86Å; W200-M204 HydrophobicContact CZ3-CG 4.16Å; W200-M204 PolarHBondContact O-N 3.18Å
201	W	95.6	Very high	94.9	Very high	1 Å²	1	53.3 Å²	53.3	0%	0.004	28%	0.284	C	S	.	.	H	α-helix	trans	-62.6	-45.2	-171.7	-173.3	95.9	0	0	0	112.8	E195 V196 D198 H199 S203 M204 L205 L338 V339 R342	E195-W201 VanDerWaalsContact O-CB 3.3Å; E195-W201 WeakPolarHBondContact O-CB 3.47Å; V196-W201 HydrophobicContact CB-CD2 4.36Å; V196-W201 HydrophobicContact CG1-CD2 4.13Å; V196-W201 HydrophobicContact CG1-CE3 3.87Å; V196-W201 HydrophobicContact CG1-CH2 4.06Å; V196-W201 HydrophobicContact CG1-CZ2 4.26Å; V196-W201 HydrophobicContact CG1-CZ3 3.82Å; V196-W201 HydrophobicContact CG2-CH2 4.49Å; V196-W201 HydrophobicContact CG2-CZ2 3.97Å; D198-W201 WeakPolarHBondContact O-CB 3.49Å; D198-W201 PolarHBondContact O-N 3.33Å; H199-W201 VanDerWaalsContact C-N 3.31Å; H199-W201 PolarHBondContact O-N 3.14Å; W201-S203 VanDerWaalsContact C-N 3.28Å; W201-S203 PolarHBondContact O-N 3.46Å; W201-M204 PolarHBondContact O-N 3.05Å; W201-M204 VanDerWaalsContact O-N 3.13Å; W201-L205 HydrophobicContact CE3-CD1 4.31Å; W201-L205 HydrophobicContact CH2-CD1 3.78Å; W201-L205 HydrophobicContact CZ3-CD1 3.5Å; W201-L205 PolarHBondContact O-N 2.9Å; W201-L338 HydrophobicContact CH2-CB 4.01Å; W201-L338 HydrophobicContact CZ2-CB 3.66Å; W201-L338 HydrophobicContact CZ2-CD1 4.41Å; W201-V339 HydrophobicContact CH2-CB 4.17Å; W201-V339 HydrophobicContact CZ3-CB 4.46Å; W201-V339 HydrophobicContact CZ3-CG2 4.47Å; W201-R342 HydrophobicContact CZ3-CB 4.13Å
202	Y	93.1	Very high	95	Very high	39 Å²	39	47 Å²	47	15%	0.153	25%	0.251	C	S	.	.	H	α-helix	trans	-62.6	-34.9	176.8	-172.7	-107.3	0	0	0	112	W200 M204 L205 Y298 M304	W200-Y202 PolarHBondContact O-N 3.34Å; Y202-M204 PolarHBondContact O-N 3.01Å; Y202-L205 HydrophobicContact CD2-CD1 4.27Å; Y202-L205 VanDerWaalsContact O-CB 3.27Å; Y202-L205 WeakPolarHBondContact O-CB 3.4Å; Y202-L205 PolarHBondContact O-N 3.45Å; Y202-Y298 HydrophobicContact CE1-CD1 4.39Å; Y202-Y298 HydrophobicContact CE1-CE1 4.12Å; Y202-M304 HydrophobicContact CD2-CE 3.92Å; Y202-M304 HydrophobicContact CD2-SD 4.41Å; Y202-M304 HydrophobicContact CE2-CB 4.26Å; Y202-M304 HydrophobicContact CE2-CE 3.57Å; Y202-M304 HydrophobicContact CE2-SD 3.87Å
203	S	92.5	Very high	94.9	Very high	84 Å²	84	48.2 Å²	48.2	59%	0.587	26%	0.262	S	S	*	.	H	α-helix	trans	-68.9	-17.9	177.8	82.1	0	0	0	0	114.4	W200 W201	W200-S203 WeakPolarHBondContact O-CB 3.34Å; W200-S203 PolarHBondContact O-N 3.27Å; W200-S203 VanDerWaalsContact O-N 3.13Å; W200-S203 PolarHBondContact O-OG 3.23Å; W201-S203 VanDerWaalsContact C-N 3.28Å; W201-S203 PolarHBondContact O-N 3.46Å
204	M	94.9	Very high	94.9	Very high	20 Å²	20	48.1 Å²	48.1	10%	0.099	26%	0.261	C	S	.	.	H	α-helix	trans	-87.6	-24.6	178	-73.5	-67.3	-75.6	0	0	113.2	K55 G57 C58 H84 W200 W201 Y202	K55-M204 HydrophobicContact CD-CE 4.24Å; K55-M204 WeakPolarHBondContact CE-O 3.41Å; K55-M204 WeakPolarHBondContact CE-SD 3.38Å; K55-M204 HydrophobicContact CG-CE 3.52Å; K55-M204 HydrophobicContact CG-SD 4.4Å; K55-M204 PolarHBondContact NZ-O 3.12Å; G57-M204 WeakPolarHBondContact O-CE 3.48Å; C58-M204 HydrophobicContact CB-CE 4.01Å; C58-M204 VanDerWaalsContact N-CE 3.34Å; H84-M204 PolarHBondContact NE2-O 3.32Å; W200-M204 HydrophobicContact CE3-CG 3.86Å; W200-M204 HydrophobicContact CZ3-CG 4.16Å; W200-M204 PolarHBondContact O-N 3.18Å; W201-M204 PolarHBondContact O-N 3.05Å; W201-M204 VanDerWaalsContact O-N 3.13Å; Y202-M204 PolarHBondContact O-N 3.01Å
205	L	96.3	Very high	95	Very high	33 Å²	33	46.6 Å²	46.6	17%	0.173	25%	0.245	C	C	.	.			trans	-59	138.3	-179.1	-150.2	162.8	0	0	0	111.5	W201 Y202 L207 V339	W201-L205 HydrophobicContact CE3-CD1 4.31Å; W201-L205 HydrophobicContact CH2-CD1 3.78Å; W201-L205 HydrophobicContact CZ3-CD1 3.5Å; W201-L205 PolarHBondContact O-N 2.9Å; Y202-L205 HydrophobicContact CD2-CD1 4.27Å; Y202-L205 VanDerWaalsContact O-CB 3.27Å; Y202-L205 WeakPolarHBondContact O-CB 3.4Å; Y202-L205 PolarHBondContact O-N 3.45Å; L205-L207 WeakPolarHBondContact CD2-O 3.3Å; L205-V339 HydrophobicContact CD1-CB 3.97Å; L205-V339 HydrophobicContact CD1-CG2 3.55Å
206	I	96.4	Very high	95.1	Very high	57 Å²	57	44 Å²	44	29%	0.292	23%	0.233	S	C	.	.	S	Bend	trans	-93.1	-26.3	-168.8	-61	-60.6	0	0	0	115.1	K55 L85 K128	K55-I206 HydrophobicContact CD-CD1 4.12Å; L85-I206 PolarHBondContact O-N 3.16Å; K128-I206 HydrophobicContact CD-CG2 3.82Å
207	L	96.4	Very high	95	Very high	65 Å²	65	44.3 Å²	44.3	34%	0.34	24%	0.235	S	C	.	.	S	Bend	trans	-144	126.5	-179.9	-64.5	172.7	0	0	0	108.9	K128 A129 L205	K128-L207 HydrophobicContact CB-CD1 3.99Å; A129-L207 VanDerWaalsContact CA-CD1 3.42Å; A129-L207 HydrophobicContact CB-CD1 3.74Å; A129-L207 VanDerWaalsContact N-CD1 3.31Å; L205-L207 WeakPolarHBondContact CD2-O 3.3Å
208	P	97.1	Very high	95	Very high	41 Å²	41	44.8 Å²	44.8	27%	0.266	24%	0.237	S	C	.	.			trans	-58.9	154.3	-176.7	22.3	-32.9	0	0	0	112.8	L210 T303	P208-L210 PolarHBondContact O-N 3.12Å; P208-T303 HydrophobicContact CB-CG2 3.8Å; P208-T303 HydrophobicContact CG-CG2 3.92Å
209	P	97.9	Very high	94.9	Very high	6 Å²	6	41.8 Å²	41.8	4%	0.039	22%	0.22	C	C	.	.			trans	-64.9	133.1	179.1	26.6	-32.8	0	0	0	111.1	M304 V335 V339	P209-M304 HydrophobicContact CG-CB 3.6Å; P209-M304 HydrophobicContact CG-CG 3.57Å; P209-M304 HydrophobicContact CG-SD 3.85Å; P209-V335 HydrophobicContact CB-CG2 4.15Å; P209-V339 HydrophobicContact CB-CG1 4.01Å; P209-V339 HydrophobicContact CB-CG2 3.74Å; P209-V339 HydrophobicContact CG-CG2 3.81Å
210	L	98.4	Very high	95.3	Very high	28 Å²	28	33.3 Å²	33.3	15%	0.147	18%	0.181	C	C	.	.			trans	-117.2	111.2	174.8	-65	178.8	0	0	0	108.9	W117 P208 D226 G229 T303	W117-L210 HydrophobicContact CH2-CD1 3.73Å; W117-L210 HydrophobicContact CZ2-CD1 4Å; P208-L210 PolarHBondContact O-N 3.12Å; L210-D226 HydrophobicContact CD1-CB 3.99Å; L210-D226 HydrophobicContact CD2-CB 4.24Å; L210-G229 WeakPolarHBondContact CA-O 3.5Å; L210-T303 HydrophobicContact CD2-CG2 3.98Å
211	L	98.4	Very high	95.3	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-69.6	142.9	-175.7	-60.7	-176.5	0	0	0	111.3	G229 M230 S231 A307 L311 I333 V335	L211-G229 PolarHBondContact N-O 2.92Å; L211-M230 CarbonylContact O-C 3.48Å; L211-M230 WeakPolarHBondContact O-CA 3.28Å; L211-S231 PolarHBondContact O-N 3.34Å; L211-A307 HydrophobicContact CD1-CB 3.74Å; L211-A307 HydrophobicContact CG-CB 3.9Å; L211-L311 HydrophobicContact CD1-CD2 4.18Å; L211-I333 HydrophobicContact CD2-CG2 3.97Å; L211-V335 HydrophobicContact CD2-CB 4.05Å; L211-V335 HydrophobicContact CD2-CG1 4.19Å
212	K	97.4	Very high	95.1	Very high	18 Å²	18	34.2 Å²	34.2	8%	0.078	21%	0.208	C	C	.	.	S	Bend	trans	-99.8	139.1	174	-60.7	-168.6	167.3	-69.6	0	110.3	D133 S214 S231 S233 I334	D133-K212 WeakPolarHBondContact O-CE 3.4Å; D133-K212 VanDerWaalsContact OD1-CE 3.3Å; D133-K212 WeakPolarHBondContact OD1-CE 3.3Å; D133-K212 IonicContact OD1-NZ 2.65Å; D133-K212 PolarHBondContact OD1-NZ 2.94Å; D133-K212 IonicContact OD2-NZ 2.78Å; K212-S214 PolarHBondContact O-N 2.99Å; K212-S214 VanDerWaalsContact O-N 3.13Å; K212-S231 PolarHBondContact NZ-OG 3.16Å; K212-S233 PolarHBondContact NZ-OG 3.47Å; K212-I334 HydrophobicContact CB-CB 4.38Å; K212-I334 HydrophobicContact CB-CG2 4.13Å; K212-I334 PolarHBondContact N-O 3.12Å
213	D	94.6	Very high	95.1	Very high	86 Å²	86	33.6 Å²	33.6	46%	0.46	21%	0.206	S	C	.	.	S	Bend	trans	49.2	41.1	175.2	-54.3	-53.1	0	0	0	113.7	S236	D213-S236 WeakPolarHBondContact OD1-CB 3.42Å; D213-S236 PolarHBondContact OD1-OG 2.85Å
214	S	96.4	Very high	95.3	Very high	6 Å²	6	34.8 Å²	34.8	4%	0.042	20%	0.198	C	C	.	.			trans	-62	139	174.4	178.2	0	0	0	0	110.6	K212 A216 A217	K212-S214 PolarHBondContact O-N 2.99Å; K212-S214 VanDerWaalsContact O-N 3.13Å; S214-A216 PolarHBondContact O-N 3.49Å; S214-A216 VanDerWaalsContact O-N 3.08Å; S214-A216 PolarHBondContact OG-N 3.02Å; S214-A217 VanDerWaalsContact O-CB 3.3Å; S214-A217 WeakPolarHBondContact O-CB 3.23Å; S214-A217 PolarHBondContact O-N 3.47Å
215	V	95.6	Very high	95.4	Very high	35 Å²	35	34.3 Å²	34.3	21%	0.212	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.6	176.5	-172.5	0	0	0	0	111.7	A217 P218 L311 A314 L315 H332	V215-A217 VanDerWaalsContact C-N 3.33Å; V215-P218 WeakPolarHBondContact O-CD 3.08Å; V215-L311 HydrophobicContact CB-CD1 3.98Å; V215-L311 HydrophobicContact CG2-CD1 3.96Å; V215-A314 HydrophobicContact CB-CB 4.12Å; V215-A314 HydrophobicContact CG1-CB 4.08Å; V215-L315 HydrophobicContact CB-CD2 4.34Å; V215-L315 HydrophobicContact CB-CG 4.44Å; V215-L315 HydrophobicContact CG1-CD2 4.45Å; V215-L315 HydrophobicContact CG2-CD2 3.78Å; V215-L315 HydrophobicContact CG2-CG 4.3Å; V215-H332 HydrophobicContact CG2-CB 4.47Å
216	A	96.3	Very high	95.4	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.008	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-17.6	173.7	0	0	0	0	0	114.3	S214 F219 L220 N310 A314	S214-A216 PolarHBondContact O-N 3.49Å; S214-A216 VanDerWaalsContact O-N 3.08Å; S214-A216 PolarHBondContact OG-N 3.02Å; A216-F219 PolarHBondContact O-N 3.07Å; A216-F219 VanDerWaalsContact O-N 3.12Å; A216-L220 HydrophobicContact CB-CD1 3.93Å; A216-L220 WeakPolarHBondContact O-CG 3.05Å; A216-L220 PolarHBondContact O-N 2.96Å; A216-N310 HydrophobicContact CB-CB 4.04Å; A216-A314 HydrophobicContact CB-CB 3.89Å
217	A	94.2	Very high	95.4	Very high	5 Å²	5	33 Å²	33	4%	0.041	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-55.3	-42.2	-171.7	0	0	0	0	0	115	S214 V215 F219 L220 A221 M230	S214-A217 VanDerWaalsContact O-CB 3.3Å; S214-A217 WeakPolarHBondContact O-CB 3.23Å; S214-A217 PolarHBondContact O-N 3.47Å; V215-A217 VanDerWaalsContact C-N 3.33Å; A217-F219 VanDerWaalsContact C-N 3.3Å; A217-F219 PolarHBondContact O-N 3.16Å; A217-L220 PolarHBondContact O-N 3.1Å; A217-L220 VanDerWaalsContact O-N 3.15Å; A217-A221 PolarHBondContact O-N 3.35Å; A217-M230 HydrophobicContact CB-CE 4.25Å; A217-M230 HydrophobicContact CB-SD 3.82Å
218	P	91.4	Very high	95.5	Very high	71 Å²	71	30 Å²	30	46%	0.461	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-63.6	-30.3	178.8	-24.3	36.4	0	0	0	114.5	V215 L220 V260	V215-P218 WeakPolarHBondContact O-CD 3.08Å; P218-L220 VanDerWaalsContact C-N 3.34Å; P218-V260 HydrophobicContact CB-CG1 3.92Å; P218-V260 HydrophobicContact CB-CG2 4.03Å
219	F	91.6	Very high	95.5	Very high	10 Å²	10	28 Å²	28	4%	0.044	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-77	-23.6	177.5	-54.7	-104.3	0	0	0	112.7	A216 A217 V260 M263 P269 F270 Q272 A314	A216-F219 PolarHBondContact O-N 3.07Å; A216-F219 VanDerWaalsContact O-N 3.12Å; A217-F219 VanDerWaalsContact C-N 3.3Å; A217-F219 PolarHBondContact O-N 3.16Å; F219-V260 HydrophobicContact CD1-CG2 3.77Å; F219-V260 HydrophobicContact CD2-CG2 4.17Å; F219-V260 HydrophobicContact CE1-CG2 4.04Å; F219-V260 HydrophobicContact CE2-CG2 4.4Å; F219-V260 HydrophobicContact CG-CG2 3.86Å; F219-V260 HydrophobicContact CZ-CG2 4.37Å; F219-M263 HydrophobicContact CE1-CE 3.78Å; F219-M263 HydrophobicContact CE1-SD 3.84Å; F219-M263 HydrophobicContact CE2-SD 4.16Å; F219-M263 HydrophobicContact CZ-CE 3.56Å; F219-M263 HydrophobicContact CZ-SD 3.35Å; F219-M263 WeakPolarHBondContact CZ-SD 3.46Å; F219-P269 HydrophobicContact CE1-CG 4.38Å; F219-F270 HydrophobicContact CB-CD2 3.61Å; F219-F270 HydrophobicContact CB-CE2 3.93Å; F219-F270 HydrophobicContact CD1-CD2 4.05Å; F219-F270 HydrophobicContact CD1-CE2 4.17Å; F219-F270 HydrophobicContact CD2-CE2 4.23Å; F219-F270 AromaticContact CG-CD2 3.93Å; F219-F270 HydrophobicContact CG-CD2 3.93Å; F219-F270 AromaticContact CG-CE2 3.89Å; F219-F270 HydrophobicContact CG-CE2 3.89Å; F219-Q272 PolarHBondContact O-NE2 2.6Å; F219-A314 HydrophobicContact CD2-CB 4.27Å; F219-A314 HydrophobicContact CE2-CB 3.7Å; F219-A314 HydrophobicContact CZ-CB 4.37Å
220	L	94.9	Very high	95.6	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.016	17%	0.165	C	C	.	.			trans	-111.8	14.3	-165.7	-58.5	-176.6	0	0	0	113.2	A216 A217 P218 A222 Y223 V228 M230 F270 P284 N310	A216-L220 HydrophobicContact CB-CD1 3.93Å; A216-L220 WeakPolarHBondContact O-CG 3.05Å; A216-L220 PolarHBondContact O-N 2.96Å; A217-L220 PolarHBondContact O-N 3.1Å; A217-L220 VanDerWaalsContact O-N 3.15Å; P218-L220 VanDerWaalsContact C-N 3.34Å; L220-A222 PolarHBondContact O-N 2.99Å; L220-A222 VanDerWaalsContact O-N 3.1Å; L220-Y223 HydrophobicContact CD2-CD2 4.35Å; L220-Y223 WeakPolarHBondContact O-CB 3.08Å; L220-Y223 PolarHBondContact O-N 2.81Å; L220-V228 HydrophobicContact CB-CG2 4.47Å; L220-V228 HydrophobicContact CD1-CB 4.16Å; L220-V228 HydrophobicContact CD1-CG2 4.06Å; L220-M230 HydrophobicContact CB-CE 3.93Å; L220-M230 HydrophobicContact CD1-CE 4.18Å; L220-F270 HydrophobicContact CD2-CB 3.88Å; L220-F270 HydrophobicContact CD2-CD1 4.23Å; L220-F270 HydrophobicContact CD2-CD2 3.96Å; L220-F270 HydrophobicContact CD2-CG 3.76Å; L220-P284 HydrophobicContact CD1-CB 4.02Å; L220-P284 HydrophobicContact CD2-CB 3.46Å; L220-P284 VanDerWaalsContact CD2-CB 3.46Å; L220-P284 HydrophobicContact CD2-CG 3.73Å; L220-P284 HydrophobicContact CG-CB 4.4Å; L220-N310 HydrophobicContact CD1-CB 4.3Å
221	A	91.1	Very high	95.5	Very high	59 Å²	59	26.8 Å²	26.8	49%	0.488	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-25.5	-178.7	0	0	0	0	0	114.3	A217 Y223 R239 L258	A217-A221 PolarHBondContact O-N 3.35Å; A221-Y223 VanDerWaalsContact C-N 3.29Å; A221-Y223 PolarHBondContact O-N 2.87Å; A221-R239 PolarHBondContact O-NH2 3.45Å; A221-L258 HydrophobicContact CB-CD2 4.37Å
222	A	91.6	Very high	95.4	Very high	50 Å²	50	26.7 Å²	26.7	41%	0.413	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-20.5	174.5	0	0	0	0	0	113.8	L220 P273	L220-A222 PolarHBondContact O-N 2.99Å; L220-A222 VanDerWaalsContact O-N 3.1Å; A222-P273 HydrophobicContact CB-CG 3.94Å
223	Y	94.3	Very high	95.3	Very high	26 Å²	26	26.9 Å²	26.9	10%	0.102	16%	0.161	C	C	.	.	S	Bend	trans	-89.4	166.2	179.7	-72.6	-97.4	0	0	0	112	L220 A221 V228 R239 Y271 P273 P284 D285	L220-Y223 HydrophobicContact CD2-CD2 4.35Å; L220-Y223 WeakPolarHBondContact O-CB 3.08Å; L220-Y223 PolarHBondContact O-N 2.81Å; A221-Y223 VanDerWaalsContact C-N 3.29Å; A221-Y223 PolarHBondContact O-N 2.87Å; Y223-V228 HydrophobicContact CD1-CG1 3.86Å; Y223-V228 HydrophobicContact CG-CG1 3.95Å; Y223-R239 PolarHBondContact O-NH2 2.68Å; Y223-Y271 WeakPolarHBondContact CE2-O 3.42Å; Y223-Y271 PolarHBondContact OH-O 2.76Å; Y223-Y271 VanDerWaalsContact OH-O 3.13Å; Y223-P273 HydrophobicContact CD2-CG 4.26Å; Y223-P273 HydrophobicContact CE1-CG 4.36Å; Y223-P273 HydrophobicContact CE2-CG 3.85Å; Y223-P284 HydrophobicContact CD1-CG 4.15Å; Y223-P284 HydrophobicContact CD2-CG 3.97Å; Y223-P284 HydrophobicContact CE1-CG 3.7Å; Y223-P284 HydrophobicContact CE2-CG 3.5Å; Y223-P284 VanDerWaalsContact CE2-CG 3.5Å; Y223-P284 HydrophobicContact CG-CG 4.3Å; Y223-D285 HydrophobicContact CD1-CB 4.44Å; Y223-D285 HydrophobicContact CE1-CB 4.3Å
224	Y	96.1	Very high	94.9	Very high	108 Å²	108	23.1 Å²	23.1	42%	0.424	14%	0.141	S	C	.	.			trans	-78.7	125.9	160.7	-71	-80	0	0	0	108	N120 K122 D226 C227	N120-Y224 WeakPolarHBondContact O-CD1 3.29Å; K122-Y224 HydrophobicContact CB-CD1 4.31Å; K122-Y224 HydrophobicContact CB-CD2 4.45Å; K122-Y224 HydrophobicContact CB-CG 4.07Å; K122-Y224 HydrophobicContact CD-CD2 4.43Å; Y224-D226 VanDerWaalsContact C-N 3.26Å; Y224-D226 PolarHBondContact O-N 3.18Å; Y224-C227 WeakPolarHBondContact O-CB 3.42Å; Y224-C227 PolarHBondContact O-N 3.31Å
225	P	97.3	Very high	93.3	Very high	10 Å²	10	28.2 Å²	28.2	7%	0.065	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-55.9	-39.3	-172.6	-27.3	36.2	0	0	0	113.2	N120 C227 V228 G229 M230 P232 T237	N120-P225 WeakPolarHBondContact O-CD 3.3Å; P225-C227 VanDerWaalsContact C-N 3.29Å; P225-C227 PolarHBondContact O-N 2.81Å; P225-V228 CarbonylContact O-C 3.58Å; P225-V228 VanDerWaalsContact O-CG2 3.25Å; P225-V228 WeakPolarHBondContact O-CG2 3.49Å; P225-V228 PolarHBondContact O-N 3.39Å; P225-G229 PolarHBondContact O-N 3.47Å; P225-M230 CarbonylContact C-O 3.44Å; P225-M230 HydrophobicContact CB-CB 3.87Å; P225-M230 HydrophobicContact CB-CE 4.49Å; P225-M230 WeakPolarHBondContact O-CA 3.36Å; P225-M230 PolarHBondContact O-N 3.49Å; P225-M230 VanDerWaalsContact O-O 3.09Å; P225-P232 HydrophobicContact CB-CG 4.34Å; P225-T237 HydrophobicContact CB-CG2 3.95Å; P225-T237 HydrophobicContact CG-CG2 3.8Å
226	D	96.3	Very high	91.6	Very high	16 Å²	16	29.3 Å²	29.3	9%	0.086	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-73.9	-15.2	-179.2	53.6	-14.5	0	0	0	114.1	G121 K122 S123 L210 Y224 V228 M230 P232	G121-D226 VanDerWaalsContact CA-OD1 3.27Å; G121-D226 WeakPolarHBondContact CA-OD1 3.36Å; K122-D226 VanDerWaalsContact N-CG 3.34Å; K122-D226 PolarHBondContact N-OD1 2.9Å; K122-D226 PolarHBondContact N-OD2 2.8Å; S123-D226 WeakPolarHBondContact CB-OD2 3.33Å; S123-D226 PolarHBondContact N-OD2 2.83Å; S123-D226 PolarHBondContact OG-OD2 3.06Å; L210-D226 HydrophobicContact CD1-CB 3.99Å; L210-D226 HydrophobicContact CD2-CB 4.24Å; Y224-D226 VanDerWaalsContact C-N 3.26Å; Y224-D226 PolarHBondContact O-N 3.18Å; D226-V228 VanDerWaalsContact C-N 3.34Å; D226-M230 WeakPolarHBondContact CA-O 3.31Å; D226-M230 PolarHBondContact N-O 3.2Å; D226-P232 HydrophobicContact CB-CG 3.72Å
227	C	97.2	Very high	89.6	Confident	48 Å²	48	30.1 Å²	30.1	32%	0.324	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-79.9	-14.5	167.5	-65.2	0	0	0	0	113.5	K122 Y224 P225	K122-C227 VanDerWaalsContact CD-SG 3.53Å; Y224-C227 WeakPolarHBondContact O-CB 3.42Å; Y224-C227 PolarHBondContact O-N 3.31Å; P225-C227 VanDerWaalsContact C-N 3.29Å; P225-C227 PolarHBondContact O-N 2.81Å
228	V	97.7	Very high	87.5	Confident	1 Å²	1	33 Å²	33	1%	0.006	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	21.1	-179.7	-63.3	0	0	0	0	112.3	L220 Y223 P225 D226 M230 P284 D285	L220-V228 HydrophobicContact CB-CG2 4.47Å; L220-V228 HydrophobicContact CD1-CB 4.16Å; L220-V228 HydrophobicContact CD1-CG2 4.06Å; Y223-V228 HydrophobicContact CD1-CG1 3.86Å; Y223-V228 HydrophobicContact CG-CG1 3.95Å; P225-V228 CarbonylContact O-C 3.58Å; P225-V228 VanDerWaalsContact O-CG2 3.25Å; P225-V228 WeakPolarHBondContact O-CG2 3.49Å; P225-V228 PolarHBondContact O-N 3.39Å; D226-V228 VanDerWaalsContact C-N 3.34Å; V228-M230 HydrophobicContact CG2-CE 3.59Å; V228-M230 HydrophobicContact CG2-CG 4.49Å; V228-P284 HydrophobicContact CG1-CB 3.89Å; V228-P284 HydrophobicContact CG1-CG 4.11Å; V228-D285 HydrophobicContact CG1-CB 4Å
229	G	97.9	Very high	85.5	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	19.2	173	0	0	0	0	0	115.8	L210 L211 P225 A307	L210-G229 WeakPolarHBondContact CA-O 3.5Å; L211-G229 PolarHBondContact N-O 2.92Å; P225-G229 PolarHBondContact O-N 3.47Å; G229-A307 WeakPolarHBondContact O-CB 3.44Å
230	M	98.2	Very high	82.9	Confident	7 Å²	7	39.7 Å²	39.7	3%	0.034	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-113.3	151.6	179	-60.8	-169.6	-64.3	0	0	111.8	L211 A217 L220 P225 D226 V228 P232	L211-M230 CarbonylContact O-C 3.48Å; L211-M230 WeakPolarHBondContact O-CA 3.28Å; A217-M230 HydrophobicContact CB-CE 4.25Å; A217-M230 HydrophobicContact CB-SD 3.82Å; L220-M230 HydrophobicContact CB-CE 3.93Å; L220-M230 HydrophobicContact CD1-CE 4.18Å; P225-M230 CarbonylContact C-O 3.44Å; P225-M230 HydrophobicContact CB-CB 3.87Å; P225-M230 HydrophobicContact CB-CE 4.49Å; P225-M230 WeakPolarHBondContact O-CA 3.36Å; P225-M230 PolarHBondContact O-N 3.49Å; P225-M230 VanDerWaalsContact O-O 3.09Å; D226-M230 WeakPolarHBondContact CA-O 3.31Å; D226-M230 PolarHBondContact N-O 3.2Å; V228-M230 HydrophobicContact CG2-CE 3.59Å; V228-M230 HydrophobicContact CG2-CG 4.49Å; M230-P232 WeakPolarHBondContact O-CD 3.47Å
231	S	97.8	Very high	79.9	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.268	C	S	.	.			trans	-80.2	121.4	-178.6	166.4	0	0	0	0	111.7	D133 L211 K212 S233 C234 T237	D133-S231 WeakPolarHBondContact OD1-CB 3.23Å; D133-S231 PolarHBondContact OD1-OG 2.78Å; L211-S231 PolarHBondContact O-N 3.34Å; K212-S231 PolarHBondContact NZ-OG 3.16Å; S231-S233 PolarHBondContact O-N 3.27Å; S231-S233 PolarHBondContact OG-N 3.5Å; S231-S233 PolarHBondContact OG-OG 3.38Å; S231-C234 PolarHBondContact O-N 3.1Å; S231-C234 PolarHBondContact O-SG 3.05Å; S231-T237 PolarHBondContact O-OG1 2.94Å
232	P	96.7	Very high	77.3	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-8.5	178.4	-24.5	34.4	0	0	0	115.9	W117 N120 P225 D226 M230	W117-P232 HydrophobicContact CD2-CB 4.3Å; W117-P232 HydrophobicContact CD2-CG 4.22Å; W117-P232 HydrophobicContact CE3-CB 4.23Å; W117-P232 HydrophobicContact CE3-CG 4.29Å; W117-P232 HydrophobicContact CH2-CG 4.4Å; W117-P232 HydrophobicContact CZ2-CG 4.27Å; W117-P232 HydrophobicContact CZ3-CG 4.39Å; N120-P232 HydrophobicContact CB-CB 3.88Å; N120-P232 WeakPolarHBondContact CB-O 3.41Å; N120-P232 PolarHBondContact ND2-O 2.76Å; P225-P232 HydrophobicContact CB-CG 4.34Å; D226-P232 HydrophobicContact CB-CG 3.72Å; M230-P232 WeakPolarHBondContact O-CD 3.47Å
233	S	93.5	Very high	74.6	Confident	22 Å²	22	51.2 Å²	51.2	15%	0.154	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	5.8	-179.1	72.8	0	0	0	0	114.4	D133 Q134 K212 S231	D133-S233 PolarHBondContact OD1-OG 2.93Å; D133-S233 WeakPolarHBondContact OD2-CB 3.49Å; D133-S233 PolarHBondContact OD2-OG 3.05Å; Q134-S233 PolarHBondContact NE2-OG 3.24Å; Q134-S233 VanDerWaalsContact NE2-OG 3.14Å; K212-S233 PolarHBondContact NZ-OG 3.47Å; S231-S233 PolarHBondContact O-N 3.27Å; S231-S233 PolarHBondContact OG-N 3.5Å; S231-S233 PolarHBondContact OG-OG 3.38Å
234	C	86.3	Confident	71.6	Confident	7 Å²	7	55 Å²	55	5%	0.047	32%	0.32	C	S	.	.			trans	-84.2	148.9	-176.3	-53.9	0	0	0	0	112	S231 S236 T237 N238	S231-C234 PolarHBondContact O-N 3.1Å; S231-C234 PolarHBondContact O-SG 3.05Å; C234-S236 VanDerWaalsContact C-N 3.32Å; C234-S236 WeakPolarHBondContact CB-OG 3.36Å; C234-T237 WeakPolarHBondContact CA-OG1 3.47Å; C234-T237 HydrophobicContact CB-CG2 4.27Å; C234-T237 WeakPolarHBondContact CB-OG1 3.22Å; C234-T237 PolarHBondContact N-OG1 2.81Å; C234-T237 CarbonylContact O-C 3.53Å; C234-T237 PolarHBondContact O-N 2.99Å; C234-T237 PolarHBondContact O-OG1 3.37Å; C234-N238 PolarHBondContact O-N 3.33Å
235	T	64.1	Low	68.4	Low	113 Å²	113	56.9 Å²	56.9	69%	0.693	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-65.9	-37.7	175.5	45.5	0	0	0	0	111.5	T237 N238	T235-T237 PolarHBondContact O-N 3.3Å; T235-N238 PolarHBondContact O-N 2.94Å; T235-N238 VanDerWaalsContact O-N 3.16Å
236	S	58.4	Low	65.5	Low	58 Å²	58	62.4 Å²	62.4	41%	0.406	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-58.9	-16.3	168.2	51.8	0	0	0	0	114.9	D213 C234	D213-S236 WeakPolarHBondContact OD1-CB 3.42Å; D213-S236 PolarHBondContact OD1-OG 2.85Å; C234-S236 VanDerWaalsContact C-N 3.32Å; C234-S236 WeakPolarHBondContact CB-OG 3.36Å
237	T	55.7	Low	62.4	Low	19 Å²	19	65.2 Å²	65.2	12%	0.117	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-112.9	-1.5	177	57.6	0	0	0	0	113.8	P225 S231 C234 T235 R239	P225-T237 HydrophobicContact CB-CG2 3.95Å; P225-T237 HydrophobicContact CG-CG2 3.8Å; S231-T237 PolarHBondContact O-OG1 2.94Å; C234-T237 WeakPolarHBondContact CA-OG1 3.47Å; C234-T237 HydrophobicContact CB-CG2 4.27Å; C234-T237 WeakPolarHBondContact CB-OG1 3.22Å; C234-T237 PolarHBondContact N-OG1 2.81Å; C234-T237 CarbonylContact O-C 3.53Å; C234-T237 PolarHBondContact O-N 2.99Å; C234-T237 PolarHBondContact O-OG1 3.37Å; T235-T237 PolarHBondContact O-N 3.3Å; T237-R239 PolarHBondContact O-N 3.1Å
238	N	49.3	Very low	59.1	Low	65 Å²	65	70.7 Å²	70.7	35%	0.348	40%	0.401	S	S	.	.			trans	-76.3	109.5	-178.6	-85.1	-25.2	0	0	0	110.3	N120 C234 T235 L240	N120-N238 PolarHBondContact ND2-OD1 3.37Å; C234-N238 PolarHBondContact O-N 3.33Å; T235-N238 PolarHBondContact O-N 2.94Å; T235-N238 VanDerWaalsContact O-N 3.16Å; N238-L240 PolarHBondContact O-N 2.92Å
239	R	50.4	Low	56.2	Low	103 Å²	103	75.6 Å²	75.6	39%	0.389	43%	0.427	S	S	.	.			trans	-62.9	118.3	167.4	-63.4	176.7	177.4	170.2	-0.8	108.4	A221 Y223 T237	A221-R239 PolarHBondContact O-NH2 3.45Å; Y223-R239 PolarHBondContact O-NH2 2.68Å; T237-R239 PolarHBondContact O-N 3.1Å
240	L	36	Very low	53	Low	118 Å²	118	83.1 Å²	83.1	62%	0.618	46%	0.462	S	S	*	.			trans	-63	127.7	-175.1	-79.2	171	0	0	0	111	N238 G242 E243	N238-L240 PolarHBondContact O-N 2.92Å; L240-G242 VanDerWaalsContact C-N 3.27Å; L240-G242 PolarHBondContact O-N 2.79Å; L240-E243 HydrophobicContact CB-CG 4.48Å; L240-E243 PolarHBondContact O-N 2.93Å
241	P	31.7	Very low	49.8	Very low	140 Å²	140	91 Å²	91	91%	0.909	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	83.4	175.5	-10.8	26.1	0	0	0	110.5
242	G	38	Very low	46.4	Very low	65 Å²	65	95.3 Å²	95.3	67%	0.67	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	165.3	-31.3	-176.5	0	0	0	0	0	112.8	L240 S244	L240-G242 VanDerWaalsContact C-N 3.27Å; L240-G242 PolarHBondContact O-N 2.79Å; G242-S244 PolarHBondContact O-N 3.42Å
243	E	33.4	Very low	43.6	Very low	150 Å²	150	105.8 Å²	105.8	70%	0.701	57%	0.566	S	S	*	*			trans	-82.5	57.9	174.2	-64.8	-170.1	145.7	0	0	111.2	L240 N245	L240-E243 HydrophobicContact CB-CG 4.48Å; L240-E243 PolarHBondContact O-N 2.93Å; E243-N245 PolarHBondContact O-N 3.02Å
244	S	32.6	Very low	40.8	Very low	105 Å²	105	108.9 Å²	108.9	73%	0.734	59%	0.588	S	S	*	*			trans	-74.4	38.3	175.5	64.3	0	0	0	0	113	G242 I246	G242-S244 PolarHBondContact O-N 3.42Å; S244-I246 VanDerWaalsContact C-N 3.31Å
245	N	28.7	Very low	38.6	Very low	147 Å²	147	111.4 Å²	111.4	79%	0.786	60%	0.603	S	S	*	*			trans	-95.9	25.3	174	-81.5	-13.5	0	0	0	112.4	E243 V247	E243-N245 PolarHBondContact O-N 3.02Å; N245-V247 PolarHBondContact O-N 3.32Å
246	I	36	Very low	37.7	Very low	127 Å²	127	110.2 Å²	110.2	65%	0.651	60%	0.597	S	S	*	*			trans	-66.5	82.3	143.9	-56.4	-180	0	0	0	106.6	S244 K248	S244-I246 VanDerWaalsContact C-N 3.31Å; I246-K248 PolarHBondContact O-N 3.28Å
247	V	30.5	Very low	37.4	Very low	75 Å²	75	113.6 Å²	113.6	46%	0.455	61%	0.611	S	S	.	*			trans	-49.3	128.4	153.6	177.9	0	0	0	0	105.9	N245 L249 L252	N245-V247 PolarHBondContact O-N 3.32Å; V247-L249 PolarHBondContact O-N 2.91Å; V247-L252 HydrophobicContact CB-CD1 3.83Å; V247-L252 HydrophobicContact CB-CG 4.38Å; V247-L252 HydrophobicContact CG1-CD1 3.96Å; V247-L252 HydrophobicContact CG1-CG 3.94Å; V247-L252 HydrophobicContact CG2-CD1 4.35Å
248	K	28.8	Very low	37.5	Very low	162 Å²	162	116.6 Å²	116.6	70%	0.704	63%	0.626	S	S	*	*			trans	-48.1	116.5	180	-70.9	-176.8	176.2	-175.8	0	109	I246 E250 H251	I246-K248 PolarHBondContact O-N 3.28Å; K248-E250 PolarHBondContact O-N 2.74Å; K248-H251 PolarHBondContact O-N 3.19Å
249	L	36.5	Very low	38.2	Very low	104 Å²	104	117.8 Å²	117.8	55%	0.545	64%	0.636	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.9	23.4	-164.5	-142.2	86.7	0	0	0	114	V247	V247-L249 PolarHBondContact O-N 2.91Å
250	E	30.8	Very low	39.4	Very low	158 Å²	158	114.5 Å²	114.5	74%	0.738	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	-18.7	179.6	-60.8	173.2	130.7	0	0	111.5	K248	K248-E250 PolarHBondContact O-N 2.74Å
251	H	29.7	Very low	41.3	Very low	174 Å²	174	113.7 Å²	113.7	81%	0.806	64%	0.637	S	S	*	*	S	Bend	trans	-134.2	13	-169.5	-75.4	-5.9	0	0	0	116.4	K248	K248-H251 PolarHBondContact O-N 3.19Å
252	L	28.4	Very low	43.5	Very low	89 Å²	89	111.3 Å²	111.3	47%	0.466	64%	0.638	S	S	.	*			trans	-92.6	122.2	167.8	-81.1	174.7	0	0	0	111	V247 S254	V247-L252 HydrophobicContact CB-CD1 3.83Å; V247-L252 HydrophobicContact CB-CG 4.38Å; V247-L252 HydrophobicContact CG1-CD1 3.96Å; V247-L252 HydrophobicContact CG1-CG 3.94Å; V247-L252 HydrophobicContact CG2-CD1 4.35Å; L252-S254 PolarHBondContact O-N 2.81Å
253	K	36.3	Very low	45.9	Very low	220 Å²	220	110.2 Å²	110.2	96%	0.957	62%	0.616	S	S	*	*	S	Bend	trans	-77.7	1.3	175.5	-72.8	-169.6	174.8	-173.5	0	114.3
254	S	35.7	Very low	48.7	Very low	88 Å²	88	105 Å²	105	62%	0.615	59%	0.593	S	S	*	*	S	Bend	trans	-147	140.1	173.9	46.9	0	0	0	0	110.1	L252	L252-S254 PolarHBondContact O-N 2.81Å
255	V	40.3	Very low	51.7	Low	59 Å²	59	104.9 Å²	104.9	36%	0.358	58%	0.579	S	S	.	*			trans	-78.4	135.8	169.7	-178.3	0	0	0	0	107.4	N257 Q272	V255-N257 PolarHBondContact O-N 2.7Å; V255-Q272 HydrophobicContact CG1-CB 4.32Å
256	P	44.8	Very low	54.9	Low	88 Å²	88	99 Å²	99	57%	0.571	55%	0.547	S	S	*	.			trans	-62.6	131.6	177.5	25	-33.9	0	0	0	111	L258	P256-L258 PolarHBondContact O-N 2.81Å
257	N	52.6	Low	57.9	Low	130 Å²	130	93.8 Å²	93.8	70%	0.695	52%	0.519	S	S	*	.			trans	-62.9	97.3	176.4	-80.6	-37.6	0	0	0	110.6	V255 T259	V255-N257 PolarHBondContact O-N 2.7Å; N257-T259 VanDerWaalsContact C-N 3.26Å; N257-T259 PolarHBondContact O-N 2.94Å
258	L	57.4	Low	61	Low	82 Å²	82	92.2 Å²	92.2	43%	0.429	51%	0.507	S	S	.	.			trans	-78.3	71.3	-177.5	-149.3	83.8	0	0	0	111.6	A221 P256 V260	A221-L258 HydrophobicContact CB-CD2 4.37Å; P256-L258 PolarHBondContact O-N 2.81Å; L258-V260 PolarHBondContact O-N 3.21Å
259	T	63.3	Low	64.3	Low	90 Å²	90	84.6 Å²	84.6	55%	0.552	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-75.1	118.1	175.3	51.3	0	0	0	0	111	N257 A261 K265	N257-T259 VanDerWaalsContact C-N 3.26Å; N257-T259 PolarHBondContact O-N 2.94Å; T259-A261 PolarHBondContact O-N 2.73Å; T259-K265 HydrophobicContact CG2-CB 4.41Å
260	V	75.9	Confident	67.2	Low	33 Å²	33	79.8 Å²	79.8	20%	0.2	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-66.9	127.3	175	-179.9	0	0	0	0	109.7	P218 F219 L258 G262 M263	P218-V260 HydrophobicContact CB-CG1 3.92Å; P218-V260 HydrophobicContact CB-CG2 4.03Å; F219-V260 HydrophobicContact CD1-CG2 3.77Å; F219-V260 HydrophobicContact CD2-CG2 4.17Å; F219-V260 HydrophobicContact CE1-CG2 4.04Å; F219-V260 HydrophobicContact CE2-CG2 4.4Å; F219-V260 HydrophobicContact CG-CG2 3.86Å; F219-V260 HydrophobicContact CZ-CG2 4.37Å; L258-V260 PolarHBondContact O-N 3.21Å; V260-G262 PolarHBondContact O-N 2.83Å; V260-M263 HydrophobicContact CB-CB 4.33Å; V260-M263 HydrophobicContact CB-CG 4.16Å; V260-M263 HydrophobicContact CB-SD 3.84Å; V260-M263 HydrophobicContact CG1-CG 4.05Å; V260-M263 HydrophobicContact CG1-SD 3.78Å; V260-M263 HydrophobicContact CG2-SD 4.45Å; V260-M263 WeakPolarHBondContact O-CB 3.26Å; V260-M263 PolarHBondContact O-N 2.64Å; V260-M263 VanDerWaalsContact O-N 3.14Å
261	A	75.6	Confident	70.3	Confident	101 Å²	101	74.4 Å²	74.4	84%	0.835	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	131.3	-176.6	0	0	0	0	0	111.7	T259 M263	T259-A261 PolarHBondContact O-N 2.73Å; A261-M263 VanDerWaalsContact C-N 3.32Å
262	G	79.2	Confident	73.4	Confident	91 Å²	91	67.3 Å²	67.3	94%	0.938	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	-2.4	-177.6	0	0	0	0	0	115.3	V260	V260-G262 PolarHBondContact O-N 2.83Å
263	M	88.4	Confident	76.4	Confident	41 Å²	41	65.1 Å²	65.1	20%	0.202	38%	0.38	C	S	.	.	S	Bend	trans	-98.4	158.5	175.2	-68.1	-168.1	56.6	0	0	113.1	F219 V260 A261 K265 F267 Y317	F219-M263 HydrophobicContact CE1-CE 3.78Å; F219-M263 HydrophobicContact CE1-SD 3.84Å; F219-M263 HydrophobicContact CE2-SD 4.16Å; F219-M263 HydrophobicContact CZ-CE 3.56Å; F219-M263 HydrophobicContact CZ-SD 3.35Å; F219-M263 WeakPolarHBondContact CZ-SD 3.46Å; V260-M263 HydrophobicContact CB-CB 4.33Å; V260-M263 HydrophobicContact CB-CG 4.16Å; V260-M263 HydrophobicContact CB-SD 3.84Å; V260-M263 HydrophobicContact CG1-CG 4.05Å; V260-M263 HydrophobicContact CG1-SD 3.78Å; V260-M263 HydrophobicContact CG2-SD 4.45Å; V260-M263 WeakPolarHBondContact O-CB 3.26Å; V260-M263 PolarHBondContact O-N 2.64Å; V260-M263 VanDerWaalsContact O-N 3.14Å; A261-M263 VanDerWaalsContact C-N 3.32Å; M263-K265 PolarHBondContact O-N 3.11Å; M263-F267 HydrophobicContact CE-CB 4.17Å; M263-F267 HydrophobicContact CE-CD2 4.22Å; M263-Y317 VanDerWaalsContact CE-O 3.27Å; M263-Y317 WeakPolarHBondContact CE-O 3.43Å
264	N	92.1	Very high	79	Confident	40 Å²	40	61.3 Å²	61.3	21%	0.214	37%	0.37	C	S	.	.			trans	-64.4	125.1	171.8	-171.2	-47.1	0	0	0	110.1	Y266 F267 E450	N264-Y266 PolarHBondContact O-N 3.36Å; N264-Y266 WeakPolarHBondContact OD1-CB 3.5Å; N264-Y266 WeakPolarHBondContact OD1-CD2 3.38Å; N264-Y266 PolarHBondContact OD1-N 2.98Å; N264-Y266 VanDerWaalsContact OD1-N 3.09Å; N264-F267 HydrophobicContact CB-CD2 3.88Å; N264-F267 HydrophobicContact CB-CE2 3.93Å; N264-F267 HydrophobicContact CB-CG 4.22Å; N264-F267 HydrophobicContact CB-CZ 4.3Å; N264-F267 PolarHBondContact O-N 3.32Å; N264-E450 PolarHBondContact ND2-OE2 3.04Å
265	K	94.4	Very high	81.6	Confident	104 Å²	104	59.8 Å²	59.8	45%	0.452	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-19.9	-175.7	68.1	173.5	-167.9	167	0	114.9	T259 M263 Q268 D569	T259-K265 HydrophobicContact CG2-CB 4.41Å; M263-K265 PolarHBondContact O-N 3.11Å; K265-Q268 PolarHBondContact O-NE2 3.27Å; K265-D569 WeakPolarHBondContact CE-OD2 3.25Å; K265-D569 IonicContact NZ-OD2 3.63Å; K265-D569 PolarHBondContact NZ-OD2 2.62Å
266	Y	96.9	Very high	84	Confident	24 Å²	24	62.1 Å²	62.1	9%	0.094	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-12.1	178.3	-61	-50.8	0	0	0	113.5	N264 Q268 C440 V441 N442 A446 M456 D569	N264-Y266 PolarHBondContact O-N 3.36Å; N264-Y266 WeakPolarHBondContact OD1-CB 3.5Å; N264-Y266 WeakPolarHBondContact OD1-CD2 3.38Å; N264-Y266 PolarHBondContact OD1-N 2.98Å; N264-Y266 VanDerWaalsContact OD1-N 3.09Å; Y266-Q268 PolarHBondContact O-N 2.85Å; Y266-C440 HydrophobicContact CD1-CB 3.48Å; Y266-C440 VanDerWaalsContact CD1-CB 3.48Å; Y266-C440 HydrophobicContact CD2-CB 4.08Å; Y266-C440 HydrophobicContact CE1-CB 3.37Å; Y266-C440 HydrophobicContact CE2-CB 3.98Å; Y266-C440 HydrophobicContact CG-CB 3.86Å; Y266-V441 HydrophobicContact CD1-CG2 4.22Å; Y266-V441 WeakPolarHBondContact O-CA 3.15Å; Y266-N442 PolarHBondContact O-N 3.37Å; Y266-N442 PolarHBondContact O-OD1 3.09Å; Y266-A446 HydrophobicContact CD2-CB 4.04Å; Y266-A446 HydrophobicContact CG-CB 4.3Å; Y266-M456 HydrophobicContact CD2-CE 4.23Å; Y266-M456 HydrophobicContact CE2-CE 3.81Å; Y266-D569 HydrophobicContact CE1-CB 4.13Å; Y266-D569 WeakPolarHBondContact CE1-OD2 3.34Å; Y266-D569 PolarHBondContact OH-OD2 2.81Å
267	F	97.4	Very high	86.2	Confident	16 Å²	16	60.4 Å²	60.4	7%	0.07	37%	0.369	C	S	.	.			trans	-87.4	98	178.8	-62.4	-16	0	0	0	110.9	M263 N264 Y317 L447 E450	M263-F267 HydrophobicContact CE-CB 4.17Å; M263-F267 HydrophobicContact CE-CD2 4.22Å; N264-F267 HydrophobicContact CB-CD2 3.88Å; N264-F267 HydrophobicContact CB-CE2 3.93Å; N264-F267 HydrophobicContact CB-CG 4.22Å; N264-F267 HydrophobicContact CB-CZ 4.3Å; N264-F267 PolarHBondContact O-N 3.32Å; F267-Y317 HydrophobicContact CB-CD1 3.83Å; F267-Y317 HydrophobicContact CB-CG 4.26Å; F267-Y317 AromaticContact CD1-CD1 3.75Å; F267-Y317 HydrophobicContact CD1-CD1 3.75Å; F267-Y317 AromaticContact CD1-CE1 3.96Å; F267-Y317 HydrophobicContact CD1-CE1 3.96Å; F267-Y317 AromaticContact CD2-CD1 3.65Å; F267-Y317 HydrophobicContact CD2-CD1 3.65Å; F267-Y317 HydrophobicContact CD2-CG 4.32Å; F267-Y317 HydrophobicContact CE1-CD1 4.19Å; F267-Y317 HydrophobicContact CE1-CE1 4.32Å; F267-Y317 HydrophobicContact CE2-CD1 4.08Å; F267-Y317 AromaticContact CG-CD1 3.47Å; F267-Y317 HydrophobicContact CG-CD1 3.47Å; F267-Y317 VanDerWaalsContact CG-CD1 3.47Å; F267-Y317 HydrophobicContact CG-CE1 4.13Å; F267-Y317 HydrophobicContact CG-CG 4.28Å; F267-Y317 HydrophobicContact CZ-CD1 4.33Å; F267-L447 HydrophobicContact CE1-CB 4.18Å; F267-L447 HydrophobicContact CE1-CD1 4.11Å; F267-L447 HydrophobicContact CZ-CD1 3.82Å; F267-E450 HydrophobicContact CE2-CB 4.45Å; F267-E450 HydrophobicContact CE2-CG 3.98Å; F267-E450 HydrophobicContact CZ-CB 3.78Å; F267-E450 HydrophobicContact CZ-CG 3.81Å
268	Q	96.9	Very high	88.2	Confident	42 Å²	42	54.9 Å²	54.9	20%	0.196	34%	0.339	C	S	.	.			trans	-132.8	61	-178.2	-55.2	179.8	14.5	0	0	110.1	K265 Y266 F270 C281 V441 N442	K265-Q268 PolarHBondContact O-NE2 3.27Å; Y266-Q268 PolarHBondContact O-N 2.85Å; Q268-F270 PolarHBondContact O-N 2.93Å; Q268-C281 PolarHBondContact O-SG 2.77Å; Q268-V441 HydrophobicContact CB-CG1 3.9Å; Q268-V441 HydrophobicContact CG-CG1 3.96Å; Q268-N442 WeakPolarHBondContact CA-OD1 3.46Å; Q268-N442 PolarHBondContact N-OD1 3.04Å; Q268-N442 PolarHBondContact O-ND2 3.09Å; Q268-N442 PolarHBondContact O-OD1 3.36Å
269	P	97.1	Very high	90.1	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.019	32%	0.32	C	S	.	.			trans	-72	-12.4	-167.2	30.5	-38.2	0	0	0	114.8	F219 C281 V282 L313 Y317	F219-P269 HydrophobicContact CE1-CG 4.38Å; P269-C281 WeakPolarHBondContact O-CA 3.07Å; P269-V282 PolarHBondContact O-N 3.12Å; P269-L313 HydrophobicContact CB-CD1 4.49Å; P269-Y317 HydrophobicContact CB-CD2 3.88Å; P269-Y317 HydrophobicContact CB-CE2 3.54Å; P269-Y317 HydrophobicContact CG-CD2 3.69Å; P269-Y317 HydrophobicContact CG-CE2 3.92Å; P269-Y317 HydrophobicContact CG-CG 4.46Å
270	F	97.8	Very high	91.7	Very high	3 Å²	3	50.5 Å²	50.5	1%	0.013	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-109.9	134.2	179.2	-52.6	-72.1	0	0	0	110.4	F219 L220 Q268 V282 P284 N310 L313	F219-F270 HydrophobicContact CB-CD2 3.61Å; F219-F270 HydrophobicContact CB-CE2 3.93Å; F219-F270 HydrophobicContact CD1-CD2 4.05Å; F219-F270 HydrophobicContact CD1-CE2 4.17Å; F219-F270 HydrophobicContact CD2-CE2 4.23Å; F219-F270 AromaticContact CG-CD2 3.93Å; F219-F270 HydrophobicContact CG-CD2 3.93Å; F219-F270 AromaticContact CG-CE2 3.89Å; F219-F270 HydrophobicContact CG-CE2 3.89Å; L220-F270 HydrophobicContact CD2-CB 3.88Å; L220-F270 HydrophobicContact CD2-CD1 4.23Å; L220-F270 HydrophobicContact CD2-CD2 3.96Å; L220-F270 HydrophobicContact CD2-CG 3.76Å; Q268-F270 PolarHBondContact O-N 2.93Å; F270-V282 WeakPolarHBondContact CA-O 3.4Å; F270-V282 HydrophobicContact CD1-CG2 4.07Å; F270-V282 HydrophobicContact CE1-CG2 4.35Å; F270-P284 HydrophobicContact CD1-CB 3.98Å; F270-N310 HydrophobicContact CE1-CB 3.95Å; F270-N310 WeakPolarHBondContact CE1-OD1 3.48Å; F270-N310 HydrophobicContact CZ-CB 4.08Å; F270-L313 HydrophobicContact CD1-CD1 4.5Å; F270-L313 HydrophobicContact CE1-CB 4.29Å; F270-L313 HydrophobicContact CE1-CD1 3.78Å; F270-L313 HydrophobicContact CZ-CB 3.85Å; F270-L313 HydrophobicContact CZ-CD1 4.19Å
271	Y	97.1	Very high	92.6	Very high	45 Å²	45	49.7 Å²	49.7	18%	0.176	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-58.4	145.5	164	-81.8	-63.7	0	0	0	111.1	Y223 E275 K278 C281 V282 R283	Y223-Y271 WeakPolarHBondContact CE2-O 3.42Å; Y223-Y271 PolarHBondContact OH-O 2.76Å; Y223-Y271 VanDerWaalsContact OH-O 3.13Å; Y271-E275 HydrophobicContact CD1-CB 4.48Å; Y271-K278 HydrophobicContact CE1-CG 4.17Å; Y271-K278 PolarHBondContact OH-N 2.99Å; Y271-K278 PolarHBondContact OH-O 3.34Å; Y271-C281 HydrophobicContact CD1-CB 3.93Å; Y271-C281 HydrophobicContact CD2-CB 3.53Å; Y271-C281 HydrophobicContact CE1-CB 3.78Å; Y271-C281 HydrophobicContact CE2-CB 3.39Å; Y271-C281 HydrophobicContact CG-CB 3.8Å; Y271-V282 PolarHBondContact N-O 3.02Å; Y271-R283 HydrophobicContact CD2-CG 3.99Å
272	Q	94.1	Very high	93.7	Very high	25 Å²	25	45.7 Å²	45.7	12%	0.117	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-95	158.3	166.3	-61.1	-60.8	-50.8	0	0	111.1	F219 V255 N274 E275	F219-Q272 PolarHBondContact O-NE2 2.6Å; V255-Q272 HydrophobicContact CG1-CB 4.32Å; Q272-N274 PolarHBondContact O-N 3.12Å; Q272-E275 HydrophobicContact CB-CB 4.2Å; Q272-E275 PolarHBondContact N-OE2 2.96Å; Q272-E275 WeakPolarHBondContact O-CB 3.46Å; Q272-E275 PolarHBondContact O-N 2.93Å; Q272-E275 VanDerWaalsContact O-N 3.15Å
273	P	90.6	Very high	94.6	Very high	43 Å²	43	46.2 Å²	46.2	28%	0.279	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	132.2	177.3	-23	35.1	0	0	0	111.6	A222 Y223 E275	A222-P273 HydrophobicContact CB-CG 3.94Å; Y223-P273 HydrophobicContact CD2-CG 4.26Å; Y223-P273 HydrophobicContact CE1-CG 4.36Å; Y223-P273 HydrophobicContact CE2-CG 3.85Å; P273-E275 PolarHBondContact O-N 2.95Å
274	N	90.8	Very high	95.1	Very high	140 Å²	140	44.2 Å²	44.2	75%	0.749	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.2	20.4	-176.2	-50.1	-33.3	0	0	0	115.2	Q272	Q272-N274 PolarHBondContact O-N 3.12Å
275	E	90.2	Very high	95.4	Very high	56 Å²	56	45.3 Å²	45.3	26%	0.262	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-76.7	147.7	175.2	-167.2	171.1	-144.8	0	0	112.5	Y271 Q272 P273 K278	Y271-E275 HydrophobicContact CD1-CB 4.48Å; Q272-E275 HydrophobicContact CB-CB 4.2Å; Q272-E275 PolarHBondContact N-OE2 2.96Å; Q272-E275 WeakPolarHBondContact O-CB 3.46Å; Q272-E275 PolarHBondContact O-N 2.93Å; Q272-E275 VanDerWaalsContact O-N 3.15Å; P273-E275 PolarHBondContact O-N 2.95Å; E275-K278 VanDerWaalsContact CD-NZ 3.26Å; E275-K278 WeakPolarHBondContact OE1-CE 3.47Å; E275-K278 IonicContact OE1-NZ 2.65Å; E275-K278 PolarHBondContact OE1-NZ 3.07Å; E275-K278 WeakPolarHBondContact OE2-CE 3.43Å; E275-K278 IonicContact OE2-NZ 3.68Å; E275-K278 PolarHBondContact OE2-NZ 3.48Å
276	C	90.7	Very high	95.6	Very high	108 Å²	108	42.8 Å²	42.8	73%	0.73	24%	0.236	S	C	*	.	P	Polyproline II helix	trans	-70.1	154.3	171.8	-61.5	0	0	0	0	111.7	K278	C276-K278 PolarHBondContact O-N 3.4Å; C276-K278 VanDerWaalsContact O-N 3.14Å
277	G	91.1	Very high	95.6	Very high	51 Å²	51	42 Å²	42	53%	0.526	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-60.3	116	177.1	0	0	0	0	0	112.4	A564	G277-A564 VanDerWaalsContact C-CB 3.43Å
278	K	95.5	Very high	95.7	Very high	14 Å²	14	43.6 Å²	43.6	6%	0.061	24%	0.241	C	C	.	.			trans	-124	149.1	171.2	72.5	-168.3	-179.2	-171.6	0	110.9	Y271 E275 C276 C281 V441 A567	Y271-K278 HydrophobicContact CE1-CG 4.17Å; Y271-K278 PolarHBondContact OH-N 2.99Å; Y271-K278 PolarHBondContact OH-O 3.34Å; E275-K278 VanDerWaalsContact CD-NZ 3.26Å; E275-K278 WeakPolarHBondContact OE1-CE 3.47Å; E275-K278 IonicContact OE1-NZ 2.65Å; E275-K278 PolarHBondContact OE1-NZ 3.07Å; E275-K278 WeakPolarHBondContact OE2-CE 3.43Å; E275-K278 IonicContact OE2-NZ 3.68Å; E275-K278 PolarHBondContact OE2-NZ 3.48Å; C276-K278 PolarHBondContact O-N 3.4Å; C276-K278 VanDerWaalsContact O-N 3.14Å; K278-C281 WeakPolarHBondContact CE-SG 3.38Å; K278-C281 HydrophobicContact CG-CB 4.5Å; K278-C281 WeakPolarHBondContact CG-SG 3.39Å; K278-V441 HydrophobicContact CD-CG1 4.48Å; K278-A567 HydrophobicContact CB-CB 4Å
279	A	96.4	Very high	95.7	Very high	4 Å²	4	48.7 Å²	48.7	3%	0.033	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	148.9	-172.3	0	0	0	0	0	113.8	C281 N442 Q565 F566 F799	A279-C281 PolarHBondContact O-N 3.17Å; A279-C281 VanDerWaalsContact O-N 3.08Å; A279-N442 PolarHBondContact O-ND2 3.18Å; A279-N442 VanDerWaalsContact O-ND2 3.11Å; A279-Q565 WeakPolarHBondContact CB-O 3.41Å; A279-Q565 PolarHBondContact N-O 3.07Å; A279-F566 HydrophobicContact CB-CB 4.39Å; A279-F566 HydrophobicContact CB-CD1 3.55Å; A279-F566 HydrophobicContact CB-CD2 3.96Å; A279-F566 HydrophobicContact CB-CE1 3.56Å; A279-F566 HydrophobicContact CB-CE2 4Å; A279-F566 HydrophobicContact CB-CG 3.72Å; A279-F566 HydrophobicContact CB-CZ 3.79Å; A279-F799 HydrophobicContact CB-CE1 3.73Å; A279-F799 HydrophobicContact CB-CZ 3.58Å
280	L	97.2	Very high	95.7	Very high	76 Å²	76	52.6 Å²	52.6	40%	0.398	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	31.8	175	-54.6	-175.7	0	0	0	114.9	N442 P444 F566 L808	L280-N442 HydrophobicContact CB-CB 4.04Å; L280-P444 HydrophobicContact CD1-CG 4.14Å; L280-F566 HydrophobicContact CD1-CE1 3.92Å; L280-F566 HydrophobicContact CD1-CZ 3.8Å; L280-F566 HydrophobicContact CG-CE1 4.06Å; L280-F566 HydrophobicContact CG-CZ 3.95Å; L280-L808 HydrophobicContact CD1-CD1 4.18Å; L280-L808 HydrophobicContact CD1-CD2 4.03Å
281	C	96.1	Very high	95.7	Very high	16 Å²	16	52.8 Å²	52.8	11%	0.108	29%	0.291	C	S	.	.			trans	-93.7	143.4	163.4	-72.2	0	0	0	0	111.1	Q268 P269 Y271 K278 A279 N442	Q268-C281 PolarHBondContact O-SG 2.77Å; P269-C281 WeakPolarHBondContact O-CA 3.07Å; Y271-C281 HydrophobicContact CD1-CB 3.93Å; Y271-C281 HydrophobicContact CD2-CB 3.53Å; Y271-C281 HydrophobicContact CE1-CB 3.78Å; Y271-C281 HydrophobicContact CE2-CB 3.39Å; Y271-C281 HydrophobicContact CG-CB 3.8Å; K278-C281 WeakPolarHBondContact CE-SG 3.38Å; K278-C281 HydrophobicContact CG-CB 4.5Å; K278-C281 WeakPolarHBondContact CG-SG 3.39Å; A279-C281 PolarHBondContact O-N 3.17Å; A279-C281 VanDerWaalsContact O-N 3.08Å; C281-N442 PolarHBondContact SG-ND2 3.32Å
282	V	98	Very high	95.8	Very high	18 Å²	18	53.7 Å²	53.7	11%	0.109	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-107.4	155.5	164.1	-62.6	0	0	0	0	110.1	P269 F270 Y271 E288 L313	P269-V282 PolarHBondContact O-N 3.12Å; F270-V282 WeakPolarHBondContact CA-O 3.4Å; F270-V282 HydrophobicContact CD1-CG2 4.07Å; F270-V282 HydrophobicContact CE1-CG2 4.35Å; Y271-V282 PolarHBondContact N-O 3.02Å; V282-E288 HydrophobicContact CB-CG 4.38Å; V282-E288 HydrophobicContact CG1-CG 4.17Å; V282-L313 HydrophobicContact CG2-CD1 3.53Å
283	R	98.2	Very high	96	Very high	101 Å²	101	61.8 Å²	61.8	38%	0.381	33%	0.329	S	S	.	.			trans	-77.9	130.2	167.4	-75.6	172.6	-66.9	164.6	3.5	109.9	Y271 D285 V286 E288 R309	Y271-R283 HydrophobicContact CD2-CG 3.99Å; R283-D285 PolarHBondContact O-N 3.45Å; R283-V286 HydrophobicContact CB-CB 4.05Å; R283-V286 HydrophobicContact CB-CG2 4.42Å; R283-E288 IonicContact CZ-OE2 2.86Å; R283-E288 PolarHBondContact N-OE1 3.28Å; R283-E288 IonicContact NE-OE1 2.7Å; R283-E288 IonicContact NE-OE2 3.22Å; R283-E288 IonicContact NH2-OE2 3.28Å; R283-E288 PolarHBondContact NH2-OE2 2.95Å; R283-R309 PolarHBondContact O-NH1 2.86Å; R283-R309 PolarHBondContact O-NH2 3.03Å; R283-R309 VanDerWaalsContact O-NH2 3.16Å
284	P	98.2	Very high	96.3	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-16.9	-178.8	31.7	-35.8	0	0	0	113.2	L220 Y223 V228 F270 N310	L220-P284 HydrophobicContact CD1-CB 4.02Å; L220-P284 HydrophobicContact CD2-CB 3.46Å; L220-P284 VanDerWaalsContact CD2-CB 3.46Å; L220-P284 HydrophobicContact CD2-CG 3.73Å; L220-P284 HydrophobicContact CG-CB 4.4Å; Y223-P284 HydrophobicContact CD1-CG 4.15Å; Y223-P284 HydrophobicContact CD2-CG 3.97Å; Y223-P284 HydrophobicContact CE1-CG 3.7Å; Y223-P284 HydrophobicContact CE2-CG 3.5Å; Y223-P284 VanDerWaalsContact CE2-CG 3.5Å; Y223-P284 HydrophobicContact CG-CG 4.3Å; V228-P284 HydrophobicContact CG1-CB 3.89Å; V228-P284 HydrophobicContact CG1-CG 4.11Å; F270-P284 HydrophobicContact CD1-CB 3.98Å; P284-N310 PolarHBondContact O-ND2 2.82Å
285	D	98.1	Very high	96.6	Very high	63 Å²	63	56 Å²	56	34%	0.337	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	0.3	-175.7	60.4	-30.2	0	0	0	114	Y223 V228 R283 L306	Y223-D285 HydrophobicContact CD1-CB 4.44Å; Y223-D285 HydrophobicContact CE1-CB 4.3Å; V228-D285 HydrophobicContact CG1-CB 4Å; R283-D285 PolarHBondContact O-N 3.45Å; D285-L306 VanDerWaalsContact C-CD1 3.49Å; D285-L306 WeakPolarHBondContact O-CD1 3.29Å
286	V	98.3	Very high	97	Very high	50 Å²	50	57 Å²	57	30%	0.303	31%	0.305	S	S	.	.	S	Bend	trans	-140.5	141.7	-179.5	-169	0	0	0	0	110.6	R283 R309	R283-V286 HydrophobicContact CB-CB 4.05Å; R283-V286 HydrophobicContact CB-CG2 4.42Å; V286-R309 PolarHBondContact O-NH2 2.81Å
287	M	98.6	Very high	97.2	Very high	8 Å²	8	55.9 Å²	55.9	4%	0.039	29%	0.289	C	S	.	.			trans	-78.9	138.2	172.4	-70.5	175.2	70.4	0	0	111	E291 L292 F295 P302 Y305 L306	M287-E291 WeakPolarHBondContact CA-OE2 3.36Å; M287-E291 HydrophobicContact CB-CB 4.19Å; M287-E291 HydrophobicContact CE-CB 3.83Å; M287-E291 VanDerWaalsContact CE-O 3.26Å; M287-E291 WeakPolarHBondContact CE-O 3.01Å; M287-L292 HydrophobicContact CB-CD2 3.89Å; M287-L292 HydrophobicContact CB-CG 3.85Å; M287-L292 HydrophobicContact CE-CD2 4.09Å; M287-L292 HydrophobicContact CE-CG 4.5Å; M287-L292 HydrophobicContact SD-CD2 3.98Å; M287-F295 HydrophobicContact CE-CB 4.26Å; M287-P302 HydrophobicContact CG-CB 3.93Å; M287-P302 HydrophobicContact SD-CB 3.6Å; M287-Y305 HydrophobicContact CE-CD1 3.84Å; M287-Y305 HydrophobicContact CE-CD2 4.25Å; M287-Y305 HydrophobicContact CE-CE1 4.05Å; M287-Y305 HydrophobicContact CE-CE2 4.43Å; M287-Y305 HydrophobicContact CE-CG 3.98Å; M287-Y305 HydrophobicContact CG-CD1 3.65Å; M287-Y305 HydrophobicContact CG-CE1 4Å; M287-Y305 HydrophobicContact SD-CD1 3.87Å; M287-Y305 HydrophobicContact SD-CG 4.15Å; M287-L306 HydrophobicContact CG-CD2 4.11Å; M287-L306 HydrophobicContact CG-CG 4.4Å
288	E	98	Very high	97.5	Very high	50 Å²	50	53.6 Å²	53.6	23%	0.234	27%	0.265	C	S	.	.			trans	-81.7	166.6	173.4	-48.2	-54.4	169.7	0	0	111.3	V282 R283 D290 E291 L292	V282-E288 HydrophobicContact CB-CG 4.38Å; V282-E288 HydrophobicContact CG1-CG 4.17Å; R283-E288 IonicContact CZ-OE2 2.86Å; R283-E288 PolarHBondContact N-OE1 3.28Å; R283-E288 IonicContact NE-OE1 2.7Å; R283-E288 IonicContact NE-OE2 3.22Å; R283-E288 IonicContact NH2-OE2 3.28Å; R283-E288 PolarHBondContact NH2-OE2 2.95Å; E288-D290 PolarHBondContact O-N 2.97Å; E288-E291 HydrophobicContact CB-CG 4.31Å; E288-E291 PolarHBondContact N-OE2 3.36Å; E288-E291 WeakPolarHBondContact O-CA 3.3Å; E288-E291 WeakPolarHBondContact O-CB 3.24Å; E288-E291 PolarHBondContact O-N 2.79Å; E288-L292 PolarHBondContact O-N 2.78Å
289	L	97.9	Very high	97.5	Very high	148 Å²	148	57 Å²	57	78%	0.775	29%	0.291	S	S	*	.	H	α-helix	trans	-58.2	-42.8	-169.1	-64.6	175.7	0	0	0	113.8	E291 L292 Y293	L289-E291 VanDerWaalsContact C-N 3.29Å; L289-E291 PolarHBondContact O-N 3.39Å; L289-L292 PolarHBondContact O-N 3.46Å; L289-Y293 PolarHBondContact O-N 3.33Å
290	D	96.9	Very high	97.3	Very high	86 Å²	86	68.2 Å²	68.2	46%	0.46	33%	0.332	S	S	.	.	H	α-helix	trans	-66.4	-30.8	176.9	-79.5	11.2	0	0	0	112.5	E288 Y293 E294 F353 K357	E288-D290 PolarHBondContact O-N 2.97Å; D290-Y293 PolarHBondContact O-N 3.48Å; D290-E294 PolarHBondContact O-N 2.7Å; D290-E294 VanDerWaalsContact O-N 3.11Å; D290-F353 HydrophobicContact CB-CZ 4.23Å; D290-K357 WeakPolarHBondContact OD2-CE 3.38Å; D290-K357 IonicContact OD2-NZ 3.58Å; D290-K357 PolarHBondContact OD2-NZ 3.17Å
291	E	98.6	Very high	97.3	Very high	6 Å²	6	67 Å²	67	3%	0.028	33%	0.326	C	S	.	.	H	α-helix	trans	-72	-38.9	176.9	-49.9	-172.2	114.4	0	0	110.5	M287 E288 L289 Y293 F295 Y305 R309 F353	M287-E291 WeakPolarHBondContact CA-OE2 3.36Å; M287-E291 HydrophobicContact CB-CB 4.19Å; M287-E291 HydrophobicContact CE-CB 3.83Å; M287-E291 VanDerWaalsContact CE-O 3.26Å; M287-E291 WeakPolarHBondContact CE-O 3.01Å; E288-E291 HydrophobicContact CB-CG 4.31Å; E288-E291 PolarHBondContact N-OE2 3.36Å; E288-E291 WeakPolarHBondContact O-CA 3.3Å; E288-E291 WeakPolarHBondContact O-CB 3.24Å; E288-E291 PolarHBondContact O-N 2.79Å; L289-E291 VanDerWaalsContact C-N 3.29Å; L289-E291 PolarHBondContact O-N 3.39Å; E291-Y293 VanDerWaalsContact C-N 3.34Å; E291-F295 PolarHBondContact O-N 3.08Å; E291-Y305 HydrophobicContact CB-CE1 4.02Å; E291-Y305 HydrophobicContact CG-CE1 4.24Å; E291-Y305 WeakPolarHBondContact CG-OH 3.47Å; E291-Y305 VanDerWaalsContact OE1-CE1 3.25Å; E291-Y305 WeakPolarHBondContact OE1-CE1 3.49Å; E291-Y305 PolarHBondContact OE1-OH 2.99Å; E291-R309 WeakPolarHBondContact OE1-CG 3.35Å; E291-R309 IonicContact OE1-CZ 3.31Å; E291-R309 IonicContact OE1-NE 3.45Å; E291-R309 PolarHBondContact OE1-NE 2.69Å; E291-R309 IonicContact OE1-NH2 3.76Å; E291-R309 IonicContact OE2-CZ 2.69Å; E291-R309 IonicContact OE2-NE 2.68Å; E291-R309 PolarHBondContact OE2-NE 2.86Å; E291-R309 IonicContact OE2-NH2 3.74Å; E291-R309 PolarHBondContact OE2-NH2 2.65Å; E291-F353 HydrophobicContact CG-CE1 4.03Å; E291-F353 HydrophobicContact CG-CZ 4.18Å
292	L	98.2	Very high	97.4	Very high	65 Å²	65	68 Å²	68	34%	0.34	33%	0.332	S	S	.	.	H	α-helix	trans	-69.8	-28.7	174.6	-71	171.2	0	0	0	113	M287 E288 L289 P296	M287-L292 HydrophobicContact CB-CD2 3.89Å; M287-L292 HydrophobicContact CB-CG 3.85Å; M287-L292 HydrophobicContact CE-CD2 4.09Å; M287-L292 HydrophobicContact CE-CG 4.5Å; M287-L292 HydrophobicContact SD-CD2 3.98Å; E288-L292 PolarHBondContact O-N 2.78Å; L289-L292 PolarHBondContact O-N 3.46Å; L292-P296 WeakPolarHBondContact O-CA 3.15Å
293	Y	97.6	Very high	97.4	Very high	195 Å²	195	68.5 Å²	68.5	77%	0.765	34%	0.335	S	S	*	.	H	α-helix	trans	-73.7	-44.4	175.2	-179.1	-91.8	0	0	0	112.1	L289 D290 E291	L289-Y293 PolarHBondContact O-N 3.33Å; D290-Y293 PolarHBondContact O-N 3.48Å; E291-Y293 VanDerWaalsContact C-N 3.34Å
294	E	97.9	Very high	97.4	Very high	57 Å²	57	63.7 Å²	63.7	27%	0.266	32%	0.317	S	S	.	.	H	α-helix	trans	-75.5	-33.9	-179.7	-166	94.7	169.9	0	0	112.7	D290 P296 F353 R356	D290-E294 PolarHBondContact O-N 2.7Å; D290-E294 VanDerWaalsContact O-N 3.11Å; E294-P296 VanDerWaalsContact C-CD 3.45Å; E294-P296 WeakPolarHBondContact O-CD 3.28Å; E294-F353 HydrophobicContact CB-CD2 3.79Å; E294-F353 HydrophobicContact CB-CE2 3.62Å; E294-F353 HydrophobicContact CB-CZ 4.43Å; E294-F353 HydrophobicContact CG-CD2 3.47Å; E294-F353 VanDerWaalsContact CG-CD2 3.47Å; E294-F353 HydrophobicContact CG-CE2 3.88Å; E294-F353 HydrophobicContact CG-CG 4.22Å; E294-R356 IonicContact OE1-CZ 2.7Å; E294-R356 VanDerWaalsContact OE1-CZ 3.26Å; E294-R356 IonicContact OE1-NH1 3.55Å; E294-R356 PolarHBondContact OE1-NH1 3.29Å; E294-R356 IonicContact OE1-NH2 2.79Å; E294-R356 PolarHBondContact OE1-NH2 3.02Å; E294-R356 IonicContact OE2-CZ 3.76Å; E294-R356 IonicContact OE2-NH1 3.56Å; E294-R356 IonicContact OE2-NH2 2.7Å; E294-R356 PolarHBondContact OE2-NH2 3.25Å
295	F	97.9	Very high	97.4	Very high	4 Å²	4	63.7 Å²	63.7	2%	0.018	32%	0.317	C	S	.	.			trans	-126.8	62.2	-175.9	-51.5	-88.4	0	0	0	113.1	M287 E291 E297 Y298 Y305 R349 I350 F353	M287-F295 HydrophobicContact CE-CB 4.26Å; E291-F295 PolarHBondContact O-N 3.08Å; F295-E297 VanDerWaalsContact CA-OE2 3.29Å; F295-E297 WeakPolarHBondContact CA-OE2 2.83Å; F295-E297 PolarHBondContact O-N 3.19Å; F295-E297 VanDerWaalsContact O-N 3.09Å; F295-Y298 HydrophobicContact CB-CD2 3.66Å; F295-Y298 HydrophobicContact CB-CE2 4.22Å; F295-Y298 HydrophobicContact CD1-CD2 4.49Å; F295-Y298 HydrophobicContact CD1-CE2 4.27Å; F295-Y298 HydrophobicContact CG-CD2 4.33Å; F295-Y298 PolarHBondContact O-N 3.36Å; F295-Y298 VanDerWaalsContact O-N 3.07Å; F295-Y305 HydrophobicContact CB-CD2 4.47Å; F295-Y305 HydrophobicContact CD2-CD2 4.11Å; F295-Y305 AromaticContact CD2-CE2 3.46Å; F295-Y305 HydrophobicContact CD2-CE2 3.46Å; F295-Y305 VanDerWaalsContact CD2-CE2 3.46Å; F295-Y305 AromaticContact CE2-CE2 3.67Å; F295-Y305 HydrophobicContact CE2-CE2 3.67Å; F295-Y305 HydrophobicContact CG-CD2 4.2Å; F295-Y305 HydrophobicContact CG-CE2 4.01Å; F295-Y305 HydrophobicContact CZ-CE2 4.36Å; F295-R349 HydrophobicContact CE1-CB 3.92Å; F295-R349 HydrophobicContact CZ-CB 4.4Å; F295-I350 HydrophobicContact CE1-CG1 4.19Å; F295-I350 HydrophobicContact CZ-CG1 4.06Å; F295-F353 HydrophobicContact CE2-CB 3.91Å; F295-F353 AromaticContact CE2-CD1 3.82Å; F295-F353 HydrophobicContact CE2-CD1 3.82Å; F295-F353 HydrophobicContact CE2-CD2 4.11Å; F295-F353 HydrophobicContact CE2-CE1 4.35Å; F295-F353 AromaticContact CE2-CG 3.68Å; F295-F353 HydrophobicContact CE2-CG 3.68Å; F295-F353 HydrophobicContact CZ-CB 3.86Å; F295-F353 HydrophobicContact CZ-CG 4.16Å
296	P	97.4	Very high	97.5	Very high	77 Å²	77	60.9 Å²	60.9	50%	0.5	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-60.3	-21.8	-177.9	26.6	-35.9	0	0	0	113.4	L292 E294 Y298 S299	L292-P296 WeakPolarHBondContact O-CA 3.15Å; E294-P296 VanDerWaalsContact C-CD 3.45Å; E294-P296 WeakPolarHBondContact O-CD 3.28Å; P296-Y298 PolarHBondContact O-N 3.14Å; P296-S299 VanDerWaalsContact O-CB 3.32Å; P296-S299 WeakPolarHBondContact O-CB 3.47Å; P296-S299 PolarHBondContact O-N 3.03Å; P296-S299 PolarHBondContact O-OG 3.35Å
297	E	95.4	Very high	97.5	Very high	85 Å²	85	58.7 Å²	58.7	40%	0.397	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-60.2	-26.4	174.6	64.6	-91.5	-139.1	0	0	113.7	F295 R349	F295-E297 VanDerWaalsContact CA-OE2 3.29Å; F295-E297 WeakPolarHBondContact CA-OE2 2.83Å; F295-E297 PolarHBondContact O-N 3.19Å; F295-E297 VanDerWaalsContact O-N 3.09Å; E297-R349 IonicContact OE1-CZ 3.21Å; E297-R349 VanDerWaalsContact OE1-CZ 3.25Å; E297-R349 IonicContact OE1-NH1 3.79Å; E297-R349 PolarHBondContact OE1-NH1 2.85Å; E297-R349 IonicContact OE1-NH2 2.69Å; E297-R349 PolarHBondContact OE1-NH2 2.92Å
298	Y	97.1	Very high	97.5	Very high	3 Å²	3	58.4 Å²	58.4	1%	0.012	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-90.5	-5.6	-179.9	-64.6	-50.7	0	0	0	114.2	Y202 F295 P296 R300 D301 P302 M304 Y305 E346	Y202-Y298 HydrophobicContact CE1-CD1 4.39Å; Y202-Y298 HydrophobicContact CE1-CE1 4.12Å; F295-Y298 HydrophobicContact CB-CD2 3.66Å; F295-Y298 HydrophobicContact CB-CE2 4.22Å; F295-Y298 HydrophobicContact CD1-CD2 4.49Å; F295-Y298 HydrophobicContact CD1-CE2 4.27Å; F295-Y298 HydrophobicContact CG-CD2 4.33Å; F295-Y298 PolarHBondContact O-N 3.36Å; F295-Y298 VanDerWaalsContact O-N 3.07Å; P296-Y298 PolarHBondContact O-N 3.14Å; Y298-R300 PolarHBondContact O-N 3.49Å; Y298-D301 CarbonylContact O-C 3.37Å; Y298-D301 PolarHBondContact O-N 2.96Å; Y298-P302 WeakPolarHBondContact O-CA 3.47Å; Y298-P302 VanDerWaalsContact O-N 3.09Å; Y298-M304 HydrophobicContact CE1-CE 3.63Å; Y298-M304 VanDerWaalsContact OH-CE 3.26Å; Y298-M304 WeakPolarHBondContact OH-CE 3.36Å; Y298-Y305 AromaticContact CD2-CD2 3.8Å; Y298-Y305 HydrophobicContact CD2-CD2 3.8Å; Y298-Y305 HydrophobicContact CD2-CG 4.05Å; Y298-Y305 HydrophobicContact CE2-CD2 4.25Å; Y298-Y305 HydrophobicContact CG-CG 4.49Å; Y298-E346 VanDerWaalsContact OH-CG 3.28Å; Y298-E346 WeakPolarHBondContact OH-CG 3.3Å; Y298-E346 PolarHBondContact OH-OE2 2.9Å
299	S	94.6	Very high	97.6	Very high	86 Å²	86	56 Å²	56	60%	0.601	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-56	-24.9	176.2	62.1	0	0	0	0	114.4	P296	P296-S299 VanDerWaalsContact O-CB 3.32Å; P296-S299 WeakPolarHBondContact O-CB 3.47Å; P296-S299 PolarHBondContact O-N 3.03Å; P296-S299 PolarHBondContact O-OG 3.35Å
300	R	94.1	Very high	97.6	Very high	239 Å²	239	49.1 Å²	49.1	90%	0.902	24%	0.24	S	C	*	.	S	Bend	trans	-92.6	-34.3	178.6	-177.9	178	176.3	-175.1	-0.3	114.2	Y298	Y298-R300 PolarHBondContact O-N 3.49Å
301	D	96.1	Very high	97.7	Very high	49 Å²	49	45 Å²	45	26%	0.262	22%	0.219	S	C	.	.			trans	-146.3	91.8	176	-173.4	-17.7	0	0	0	108.7	Y298 T303	Y298-D301 CarbonylContact O-C 3.37Å; Y298-D301 PolarHBondContact O-N 2.96Å; D301-T303 PolarHBondContact O-N 3.45Å; D301-T303 WeakPolarHBondContact OD1-CB 3.47Å; D301-T303 PolarHBondContact OD1-N 2.58Å; D301-T303 VanDerWaalsContact OD1-N 3.12Å; D301-T303 PolarHBondContact OD1-OG1 3.21Å
302	P	97.9	Very high	97.7	Very high	39 Å²	39	44.7 Å²	44.7	25%	0.253	22%	0.217	S	C	.	.			trans	-81	-0.8	-175.4	34.3	-37.4	0	0	0	113	M287 Y298 M304 Y305 L306	M287-P302 HydrophobicContact CG-CB 3.93Å; M287-P302 HydrophobicContact SD-CB 3.6Å; Y298-P302 WeakPolarHBondContact O-CA 3.47Å; Y298-P302 VanDerWaalsContact O-N 3.09Å; P302-M304 PolarHBondContact O-N 2.94Å; P302-Y305 PolarHBondContact O-N 3.43Å; P302-Y305 VanDerWaalsContact O-N 3.1Å; P302-L306 HydrophobicContact CB-CD1 3.79Å; P302-L306 HydrophobicContact CB-CG 4.13Å; P302-L306 HydrophobicContact CG-CD1 3.91Å; P302-L306 WeakPolarHBondContact O-CB 3.3Å; P302-L306 WeakPolarHBondContact O-CG 3.4Å; P302-L306 PolarHBondContact O-N 3.42Å
303	T	98.4	Very high	97.7	Very high	27 Å²	27	41.9 Å²	41.9	17%	0.166	20%	0.202	C	C	.	.	H	α-helix	trans	-59.3	-42.7	-166.8	-48.9	0	0	0	0	112.5	P208 L210 D301 A307	P208-T303 HydrophobicContact CB-CG2 3.8Å; P208-T303 HydrophobicContact CG-CG2 3.92Å; L210-T303 HydrophobicContact CD2-CG2 3.98Å; D301-T303 PolarHBondContact O-N 3.45Å; D301-T303 WeakPolarHBondContact OD1-CB 3.47Å; D301-T303 PolarHBondContact OD1-N 2.58Å; D301-T303 VanDerWaalsContact OD1-N 3.12Å; D301-T303 PolarHBondContact OD1-OG1 3.21Å; T303-A307 WeakPolarHBondContact O-CB 3.33Å; T303-A307 PolarHBondContact O-N 3.09Å
304	M	98.6	Very high	97.8	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-67.9	-42.1	177	-174.3	170	65.5	0	0	112.3	Y202 P209 Y298 P302 L308 R342 C343 E346	Y202-M304 HydrophobicContact CD2-CE 3.92Å; Y202-M304 HydrophobicContact CD2-SD 4.41Å; Y202-M304 HydrophobicContact CE2-CB 4.26Å; Y202-M304 HydrophobicContact CE2-CE 3.57Å; Y202-M304 HydrophobicContact CE2-SD 3.87Å; P209-M304 HydrophobicContact CG-CB 3.6Å; P209-M304 HydrophobicContact CG-CG 3.57Å; P209-M304 HydrophobicContact CG-SD 3.85Å; Y298-M304 HydrophobicContact CE1-CE 3.63Å; Y298-M304 VanDerWaalsContact OH-CE 3.26Å; Y298-M304 WeakPolarHBondContact OH-CE 3.36Å; P302-M304 PolarHBondContact O-N 2.94Å; M304-L308 HydrophobicContact CG-CD1 4.15Å; M304-L308 WeakPolarHBondContact O-CG 3.49Å; M304-L308 PolarHBondContact O-N 3.16Å; M304-R342 HydrophobicContact CE-CG 3.94Å; M304-R342 HydrophobicContact SD-CG 4.15Å; M304-C343 VanDerWaalsContact SD-SG 3.61Å; M304-E346 HydrophobicContact CE-CG 4.08Å
305	Y	98.8	Very high	97.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.4	-49.9	178.2	176.4	-85.7	0	0	0	110.9	M287 E291 F295 Y298 P302 A307 L308 R309 I350	M287-Y305 HydrophobicContact CE-CD1 3.84Å; M287-Y305 HydrophobicContact CE-CD2 4.25Å; M287-Y305 HydrophobicContact CE-CE1 4.05Å; M287-Y305 HydrophobicContact CE-CE2 4.43Å; M287-Y305 HydrophobicContact CE-CG 3.98Å; M287-Y305 HydrophobicContact CG-CD1 3.65Å; M287-Y305 HydrophobicContact CG-CE1 4Å; M287-Y305 HydrophobicContact SD-CD1 3.87Å; M287-Y305 HydrophobicContact SD-CG 4.15Å; E291-Y305 HydrophobicContact CB-CE1 4.02Å; E291-Y305 HydrophobicContact CG-CE1 4.24Å; E291-Y305 WeakPolarHBondContact CG-OH 3.47Å; E291-Y305 VanDerWaalsContact OE1-CE1 3.25Å; E291-Y305 WeakPolarHBondContact OE1-CE1 3.49Å; E291-Y305 PolarHBondContact OE1-OH 2.99Å; F295-Y305 HydrophobicContact CB-CD2 4.47Å; F295-Y305 HydrophobicContact CD2-CD2 4.11Å; F295-Y305 AromaticContact CD2-CE2 3.46Å; F295-Y305 HydrophobicContact CD2-CE2 3.46Å; F295-Y305 VanDerWaalsContact CD2-CE2 3.46Å; F295-Y305 AromaticContact CE2-CE2 3.67Å; F295-Y305 HydrophobicContact CE2-CE2 3.67Å; F295-Y305 HydrophobicContact CG-CD2 4.2Å; F295-Y305 HydrophobicContact CG-CE2 4.01Å; F295-Y305 HydrophobicContact CZ-CE2 4.36Å; Y298-Y305 AromaticContact CD2-CD2 3.8Å; Y298-Y305 HydrophobicContact CD2-CD2 3.8Å; Y298-Y305 HydrophobicContact CD2-CG 4.05Å; Y298-Y305 HydrophobicContact CE2-CD2 4.25Å; Y298-Y305 HydrophobicContact CG-CG 4.49Å; P302-Y305 PolarHBondContact O-N 3.43Å; P302-Y305 VanDerWaalsContact O-N 3.1Å; Y305-A307 PolarHBondContact O-N 3.14Å; Y305-L308 PolarHBondContact O-N 3.26Å; Y305-R309 HydrophobicContact CD1-CB 4.4Å; Y305-R309 HydrophobicContact CE1-CB 3.89Å; Y305-R309 HydrophobicContact CE1-CG 4.22Å; Y305-R309 WeakPolarHBondContact O-CB 3.46Å; Y305-R309 PolarHBondContact O-N 2.81Å; Y305-I350 HydrophobicContact CD2-CD1 3.59Å; Y305-I350 HydrophobicContact CD2-CG1 3.86Å; Y305-I350 HydrophobicContact CE2-CB 4.49Å; Y305-I350 HydrophobicContact CE2-CD1 3.97Å; Y305-I350 HydrophobicContact CE2-CG1 3.76Å; Y305-I350 HydrophobicContact CE2-CG2 3.97Å; Y305-I350 HydrophobicContact CG-CD1 4.36Å
306	L	98.8	Very high	97.8	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-62.1	-42.5	180	-67.9	168.9	0	0	0	111.6	D285 M287 P302 L308 R309 N310	D285-L306 VanDerWaalsContact C-CD1 3.49Å; D285-L306 WeakPolarHBondContact O-CD1 3.29Å; M287-L306 HydrophobicContact CG-CD2 4.11Å; M287-L306 HydrophobicContact CG-CG 4.4Å; P302-L306 HydrophobicContact CB-CD1 3.79Å; P302-L306 HydrophobicContact CB-CG 4.13Å; P302-L306 HydrophobicContact CG-CD1 3.91Å; P302-L306 WeakPolarHBondContact O-CB 3.3Å; P302-L306 WeakPolarHBondContact O-CG 3.4Å; P302-L306 PolarHBondContact O-N 3.42Å; L306-L308 VanDerWaalsContact C-N 3.28Å; L306-L308 PolarHBondContact O-N 2.9Å; L306-R309 PolarHBondContact O-N 2.95Å; L306-N310 WeakPolarHBondContact O-CB 3.39Å; L306-N310 PolarHBondContact O-N 3.15Å; L306-N310 PolarHBondContact O-ND2 3.28Å; L306-N310 VanDerWaalsContact O-ND2 3.14Å; L306-N310 PolarHBondContact O-OD1 3.21Å
307	A	98.8	Very high	97.8	Very high	4 Å²	4	28.3 Å²	28.3	3%	0.033	14%	0.139	C	C	.	.	H	α-helix	trans	-54.7	-45.2	175.2	0	0	0	0	0	112.2	L211 G229 T303 Y305 L311	L211-A307 HydrophobicContact CD1-CB 3.74Å; L211-A307 HydrophobicContact CG-CB 3.9Å; G229-A307 WeakPolarHBondContact O-CB 3.44Å; T303-A307 WeakPolarHBondContact O-CB 3.33Å; T303-A307 PolarHBondContact O-N 3.09Å; Y305-A307 PolarHBondContact O-N 3.14Å; A307-L311 WeakPolarHBondContact O-CB 3.41Å; A307-L311 PolarHBondContact O-N 3.03Å; A307-L311 VanDerWaalsContact O-N 3.15Å
308	L	98.9	Very high	97.8	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-74	-48.9	-179.2	-67.1	172.4	0	0	0	111.6	M304 Y305 L306 N310 L311 I312 I333 C343 E346 M347 I350	M304-L308 HydrophobicContact CG-CD1 4.15Å; M304-L308 WeakPolarHBondContact O-CG 3.49Å; M304-L308 PolarHBondContact O-N 3.16Å; Y305-L308 PolarHBondContact O-N 3.26Å; L306-L308 VanDerWaalsContact C-N 3.28Å; L306-L308 PolarHBondContact O-N 2.9Å; L308-N310 VanDerWaalsContact C-N 3.32Å; L308-N310 PolarHBondContact O-N 3.14Å; L308-L311 WeakPolarHBondContact O-CB 3.4Å; L308-L311 PolarHBondContact O-N 3.47Å; L308-L311 VanDerWaalsContact O-N 3.16Å; L308-I312 WeakPolarHBondContact O-CD1 3.38Å; L308-I312 WeakPolarHBondContact O-CG1 3.42Å; L308-I312 PolarHBondContact O-N 3.22Å; L308-I333 HydrophobicContact CD2-CD1 3.62Å; L308-I333 HydrophobicContact CD2-CG1 3.92Å; L308-C343 HydrophobicContact CD1-CB 4.48Å; L308-C343 WeakPolarHBondContact CD1-O 3.31Å; L308-C343 HydrophobicContact CD2-CB 4.4Å; L308-E346 HydrophobicContact CD1-CB 4.15Å; L308-M347 HydrophobicContact CD2-CB 4.29Å; L308-M347 HydrophobicContact CD2-SD 4.45Å; L308-I350 HydrophobicContact CB-CD1 3.84Å; L308-I350 HydrophobicContact CD1-CD1 3.85Å
309	R	98.9	Very high	97.8	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	16%	0.16	C	C	.	.	H	α-helix	trans	-59.4	-41.4	177.9	-177	-100	-89.4	153.2	-9.8	112.2	R283 V286 E291 Y305 L306 I312 L313 I350 M354	R283-R309 PolarHBondContact O-NH1 2.86Å; R283-R309 PolarHBondContact O-NH2 3.03Å; R283-R309 VanDerWaalsContact O-NH2 3.16Å; V286-R309 PolarHBondContact O-NH2 2.81Å; E291-R309 WeakPolarHBondContact OE1-CG 3.35Å; E291-R309 IonicContact OE1-CZ 3.31Å; E291-R309 IonicContact OE1-NE 3.45Å; E291-R309 PolarHBondContact OE1-NE 2.69Å; E291-R309 IonicContact OE1-NH2 3.76Å; E291-R309 IonicContact OE2-CZ 2.69Å; E291-R309 IonicContact OE2-NE 2.68Å; E291-R309 PolarHBondContact OE2-NE 2.86Å; E291-R309 IonicContact OE2-NH2 3.74Å; E291-R309 PolarHBondContact OE2-NH2 2.65Å; Y305-R309 HydrophobicContact CD1-CB 4.4Å; Y305-R309 HydrophobicContact CE1-CB 3.89Å; Y305-R309 HydrophobicContact CE1-CG 4.22Å; Y305-R309 WeakPolarHBondContact O-CB 3.46Å; Y305-R309 PolarHBondContact O-N 2.81Å; L306-R309 PolarHBondContact O-N 2.95Å; R309-I312 PolarHBondContact O-N 2.84Å; R309-L313 PolarHBondContact O-N 3.13Å; R309-I350 HydrophobicContact CB-CG2 4.31Å; R309-M354 HydrophobicContact CB-SD 4.26Å; R309-M354 HydrophobicContact CG-CE 3.92Å; R309-M354 HydrophobicContact CG-SD 3.7Å
310	N	98.8	Very high	98	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.011	13%	0.132	C	C	.	.	H	α-helix	trans	-66.2	-42.8	176	-63.7	-16.6	0	0	0	111.3	A216 L220 F270 P284 L306 L308 I312 A314	A216-N310 HydrophobicContact CB-CB 4.04Å; L220-N310 HydrophobicContact CD1-CB 4.3Å; F270-N310 HydrophobicContact CE1-CB 3.95Å; F270-N310 WeakPolarHBondContact CE1-OD1 3.48Å; F270-N310 HydrophobicContact CZ-CB 4.08Å; P284-N310 PolarHBondContact O-ND2 2.82Å; L306-N310 WeakPolarHBondContact O-CB 3.39Å; L306-N310 PolarHBondContact O-N 3.15Å; L306-N310 PolarHBondContact O-ND2 3.28Å; L306-N310 VanDerWaalsContact O-ND2 3.14Å; L306-N310 PolarHBondContact O-OD1 3.21Å; L308-N310 VanDerWaalsContact C-N 3.32Å; L308-N310 PolarHBondContact O-N 3.14Å; N310-I312 VanDerWaalsContact C-N 3.33Å; N310-I312 PolarHBondContact O-N 3.08Å; N310-A314 WeakPolarHBondContact O-CB 3.33Å; N310-A314 PolarHBondContact O-N 3.22Å
311	L	98.8	Very high	98.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.5	-41.6	173.9	175.5	62.2	0	0	0	112	L211 V215 A307 L308 A314 L315 H332 I333	L211-L311 HydrophobicContact CD1-CD2 4.18Å; V215-L311 HydrophobicContact CB-CD1 3.98Å; V215-L311 HydrophobicContact CG2-CD1 3.96Å; A307-L311 WeakPolarHBondContact O-CB 3.41Å; A307-L311 PolarHBondContact O-N 3.03Å; A307-L311 VanDerWaalsContact O-N 3.15Å; L308-L311 WeakPolarHBondContact O-CB 3.4Å; L308-L311 PolarHBondContact O-N 3.47Å; L308-L311 VanDerWaalsContact O-N 3.16Å; L311-A314 PolarHBondContact O-N 2.75Å; L311-L315 HydrophobicContact CD1-CD1 3.94Å; L311-L315 HydrophobicContact CD1-CG 4.09Å; L311-L315 HydrophobicContact CG-CD1 3.91Å; L311-L315 HydrophobicContact CG-CG 4.49Å; L311-L315 WeakPolarHBondContact O-CB 3.43Å; L311-L315 VanDerWaalsContact O-CG 3.3Å; L311-L315 WeakPolarHBondContact O-CG 3.3Å; L311-L315 PolarHBondContact O-N 3.09Å; L311-H332 HydrophobicContact CD1-CB 3.92Å; L311-H332 HydrophobicContact CD2-CB 4.16Å; L311-I333 HydrophobicContact CD2-CG1 3.86Å
312	I	98.9	Very high	98.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.3	-50	179.3	-68.9	161.3	0	0	0	111.4	L308 R309 N310 A314 L315 W316 L324 M347 I350 L351 M354 I360	L308-I312 WeakPolarHBondContact O-CD1 3.38Å; L308-I312 WeakPolarHBondContact O-CG1 3.42Å; L308-I312 PolarHBondContact O-N 3.22Å; R309-I312 PolarHBondContact O-N 2.84Å; N310-I312 VanDerWaalsContact C-N 3.33Å; N310-I312 PolarHBondContact O-N 3.08Å; I312-A314 VanDerWaalsContact C-N 3.34Å; I312-A314 PolarHBondContact O-N 3.48Å; I312-L315 PolarHBondContact O-N 2.88Å; I312-W316 PolarHBondContact O-N 2.92Å; I312-L324 HydrophobicContact CG2-CD2 4.07Å; I312-L324 WeakPolarHBondContact O-CD2 3.29Å; I312-M347 HydrophobicContact CD1-CE 3.54Å; I312-M347 HydrophobicContact CD1-SD 4Å; I312-M347 HydrophobicContact CG1-CE 3.44Å; I312-M347 VanDerWaalsContact CG1-CE 3.44Å; I312-M347 HydrophobicContact CG1-SD 3.91Å; I312-I350 HydrophobicContact CD1-CB 4.03Å; I312-I350 HydrophobicContact CD1-CG2 3.57Å; I312-L351 HydrophobicContact CG1-CD1 4.48Å; I312-L351 HydrophobicContact CG2-CD1 3.98Å; I312-M354 HydrophobicContact CB-CE 3.95Å; I312-M354 HydrophobicContact CB-SD 3.85Å; I312-M354 HydrophobicContact CD1-SD 3.8Å; I312-M354 HydrophobicContact CG1-SD 4.44Å; I312-M354 HydrophobicContact CG2-CE 3.49Å; I312-M354 VanDerWaalsContact CG2-CE 3.49Å; I312-M354 HydrophobicContact CG2-SD 3.54Å; I312-M354 VanDerWaalsContact CG2-SD 3.54Å; I312-I360 HydrophobicContact CG2-CD1 3.6Å; I312-I360 HydrophobicContact CG2-CG2 4.03Å
313	L	98.8	Very high	98.2	Very high	6 Å²	6	21.8 Å²	21.8	3%	0.031	12%	0.115	C	C	.	.	H	α-helix	trans	-59.3	-45.9	176.3	-70.6	177.8	0	0	0	111.1	P269 F270 V282 R309 L315 W316 Y317 M354 L359 I360	P269-L313 HydrophobicContact CB-CD1 4.49Å; F270-L313 HydrophobicContact CD1-CD1 4.5Å; F270-L313 HydrophobicContact CE1-CB 4.29Å; F270-L313 HydrophobicContact CE1-CD1 3.78Å; F270-L313 HydrophobicContact CZ-CB 3.85Å; F270-L313 HydrophobicContact CZ-CD1 4.19Å; V282-L313 HydrophobicContact CG2-CD1 3.53Å; R309-L313 PolarHBondContact O-N 3.13Å; L313-L315 PolarHBondContact O-N 3.4Å; L313-W316 PolarHBondContact O-N 3.08Å; L313-Y317 HydrophobicContact CD2-CE2 4.29Å; L313-Y317 VanDerWaalsContact O-CD2 3.26Å; L313-Y317 WeakPolarHBondContact O-CD2 3.3Å; L313-Y317 PolarHBondContact O-N 3.08Å; L313-M354 HydrophobicContact CD1-CE 4.49Å; L313-M354 HydrophobicContact CD2-CE 3.42Å; L313-M354 VanDerWaalsContact CD2-CE 3.42Å; L313-M354 HydrophobicContact CG-CE 3.55Å; L313-L359 HydrophobicContact CD2-CB 4.44Å; L313-I360 HydrophobicContact CD2-CG2 4.19Å
314	A	98.2	Very high	98.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.2	-43.1	179.5	0	0	0	0	0	112.4	V215 A216 F219 N310 L311 I312 T318	V215-A314 HydrophobicContact CB-CB 4.12Å; V215-A314 HydrophobicContact CG1-CB 4.08Å; A216-A314 HydrophobicContact CB-CB 3.89Å; F219-A314 HydrophobicContact CD2-CB 4.27Å; F219-A314 HydrophobicContact CE2-CB 3.7Å; F219-A314 HydrophobicContact CZ-CB 4.37Å; N310-A314 WeakPolarHBondContact O-CB 3.33Å; N310-A314 PolarHBondContact O-N 3.22Å; L311-A314 PolarHBondContact O-N 2.75Å; I312-A314 VanDerWaalsContact C-N 3.34Å; I312-A314 PolarHBondContact O-N 3.48Å; A314-T318 VanDerWaalsContact O-CB 3.32Å; A314-T318 WeakPolarHBondContact O-CB 3.31Å; A314-T318 PolarHBondContact O-N 2.95Å; A314-T318 PolarHBondContact O-OG1 3.43Å
315	L	98.4	Very high	98.1	Very high	20 Å²	20	23.3 Å²	23.3	11%	0.105	12%	0.123	C	C	.	.	H	α-helix	trans	-63	-44.2	174.9	-75.4	168.2	0	0	0	112.2	V215 L311 I312 L313 T318 N319 L324 C329 H332	V215-L315 HydrophobicContact CB-CD2 4.34Å; V215-L315 HydrophobicContact CB-CG 4.44Å; V215-L315 HydrophobicContact CG1-CD2 4.45Å; V215-L315 HydrophobicContact CG2-CD2 3.78Å; V215-L315 HydrophobicContact CG2-CG 4.3Å; L311-L315 HydrophobicContact CD1-CD1 3.94Å; L311-L315 HydrophobicContact CD1-CG 4.09Å; L311-L315 HydrophobicContact CG-CD1 3.91Å; L311-L315 HydrophobicContact CG-CG 4.49Å; L311-L315 WeakPolarHBondContact O-CB 3.43Å; L311-L315 VanDerWaalsContact O-CG 3.3Å; L311-L315 WeakPolarHBondContact O-CG 3.3Å; L311-L315 PolarHBondContact O-N 3.09Å; I312-L315 PolarHBondContact O-N 2.88Å; L313-L315 PolarHBondContact O-N 3.4Å; L315-T318 PolarHBondContact O-N 3.37Å; L315-N319 PolarHBondContact O-N 2.86Å; L315-L324 HydrophobicContact CB-CD1 3.87Å; L315-L324 HydrophobicContact CB-CD2 3.92Å; L315-L324 HydrophobicContact CD1-CD1 4.45Å; L315-C329 HydrophobicContact CD1-CB 4.04Å; L315-H332 HydrophobicContact CD1-CB 4.47Å
316	W	98.7	Very high	98	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.6	-50.8	178	170.6	-111.8	0	0	0	112.1	I312 L313 T318 N319 C320 L324 I360 N361 T362 L365 L447	I312-W316 PolarHBondContact O-N 2.92Å; L313-W316 PolarHBondContact O-N 3.08Å; W316-T318 PolarHBondContact O-N 2.96Å; W316-N319 CarbonylContact O-C 3.55Å; W316-N319 PolarHBondContact O-N 2.79Å; W316-C320 HydrophobicContact CD2-CB 4.28Å; W316-C320 HydrophobicContact CE3-CB 4.5Å; W316-C320 HydrophobicContact CH2-CB 4.13Å; W316-C320 VanDerWaalsContact CH2-O 3.3Å; W316-C320 WeakPolarHBondContact CH2-O 3.37Å; W316-C320 HydrophobicContact CZ2-CB 3.9Å; W316-C320 HydrophobicContact CZ3-CB 4.42Å; W316-C320 VanDerWaalsContact O-CA 3.32Å; W316-C320 WeakPolarHBondContact O-CA 3.49Å; W316-C320 PolarHBondContact O-N 2.73Å; W316-L324 HydrophobicContact CB-CD2 4.1Å; W316-L324 HydrophobicContact CE3-CB 4.5Å; W316-I360 HydrophobicContact CB-CB 4.07Å; W316-I360 HydrophobicContact CB-CG2 3.57Å; W316-I360 HydrophobicContact CD2-CB 3.97Å; W316-I360 HydrophobicContact CD2-CG2 4.35Å; W316-I360 HydrophobicContact CE3-CB 4.39Å; W316-I360 HydrophobicContact CG-CB 3.79Å; W316-I360 HydrophobicContact CG-CG2 3.64Å; W316-N361 VanDerWaalsContact CZ3-N 3.33Å; W316-T362 HydrophobicContact CZ2-CG2 4.26Å; W316-L365 HydrophobicContact CH2-CD2 4.14Å; W316-L365 HydrophobicContact CZ3-CD2 4.16Å; W316-L447 HydrophobicContact CZ2-CD1 4.28Å; W316-L447 HydrophobicContact CZ2-CD2 4.27Å
317	Y	97.4	Very high	97.8	Very high	27 Å²	27	29 Å²	29	11%	0.106	15%	0.15	C	C	.	.	H	α-helix	trans	-72.2	-17.1	-179.8	-72.4	-71.8	0	0	0	113.4	M263 F267 P269 L313	M263-Y317 VanDerWaalsContact CE-O 3.27Å; M263-Y317 WeakPolarHBondContact CE-O 3.43Å; F267-Y317 HydrophobicContact CB-CD1 3.83Å; F267-Y317 HydrophobicContact CB-CG 4.26Å; F267-Y317 AromaticContact CD1-CD1 3.75Å; F267-Y317 HydrophobicContact CD1-CD1 3.75Å; F267-Y317 AromaticContact CD1-CE1 3.96Å; F267-Y317 HydrophobicContact CD1-CE1 3.96Å; F267-Y317 AromaticContact CD2-CD1 3.65Å; F267-Y317 HydrophobicContact CD2-CD1 3.65Å; F267-Y317 HydrophobicContact CD2-CG 4.32Å; F267-Y317 HydrophobicContact CE1-CD1 4.19Å; F267-Y317 HydrophobicContact CE1-CE1 4.32Å; F267-Y317 HydrophobicContact CE2-CD1 4.08Å; F267-Y317 AromaticContact CG-CD1 3.47Å; F267-Y317 HydrophobicContact CG-CD1 3.47Å; F267-Y317 VanDerWaalsContact CG-CD1 3.47Å; F267-Y317 HydrophobicContact CG-CE1 4.13Å; F267-Y317 HydrophobicContact CG-CG 4.28Å; F267-Y317 HydrophobicContact CZ-CD1 4.33Å; P269-Y317 HydrophobicContact CB-CD2 3.88Å; P269-Y317 HydrophobicContact CB-CE2 3.54Å; P269-Y317 HydrophobicContact CG-CD2 3.69Å; P269-Y317 HydrophobicContact CG-CE2 3.92Å; P269-Y317 HydrophobicContact CG-CG 4.46Å; L313-Y317 HydrophobicContact CD2-CE2 4.29Å; L313-Y317 VanDerWaalsContact O-CD2 3.26Å; L313-Y317 WeakPolarHBondContact O-CD2 3.3Å; L313-Y317 PolarHBondContact O-N 3.08Å
318	T	95.5	Very high	97.7	Very high	81 Å²	81	32.1 Å²	32.1	50%	0.497	16%	0.163	S	C	.	.	H	α-helix	trans	-73.6	-33.9	170	-59.1	0	0	0	0	112.2	A314 L315 W316	A314-T318 VanDerWaalsContact O-CB 3.32Å; A314-T318 WeakPolarHBondContact O-CB 3.31Å; A314-T318 PolarHBondContact O-N 2.95Å; A314-T318 PolarHBondContact O-OG1 3.43Å; L315-T318 PolarHBondContact O-N 3.37Å; W316-T318 PolarHBondContact O-N 2.96Å
319	N	96.8	Very high	97.6	Very high	66 Å²	66	32.1 Å²	32.1	35%	0.353	16%	0.163	S	C	.	.			trans	-148.4	81.9	174.8	-175.9	6.4	0	0	0	111.7	L315 W316 K321 E322	L315-N319 PolarHBondContact O-N 2.86Å; W316-N319 CarbonylContact O-C 3.55Å; W316-N319 PolarHBondContact O-N 2.79Å; N319-K321 PolarHBondContact O-N 2.77Å; N319-K321 PolarHBondContact OD1-N 3.16Å; N319-E322 VanDerWaalsContact ND2-CD 3.27Å; N319-E322 PolarHBondContact ND2-OE1 2.8Å
320	C	97.8	Very high	97.4	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.027	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	2.8	-179.4	60.4	0	0	0	0	114.3	W316 L447 Q451	W316-C320 HydrophobicContact CD2-CB 4.28Å; W316-C320 HydrophobicContact CE3-CB 4.5Å; W316-C320 HydrophobicContact CH2-CB 4.13Å; W316-C320 VanDerWaalsContact CH2-O 3.3Å; W316-C320 WeakPolarHBondContact CH2-O 3.37Å; W316-C320 HydrophobicContact CZ2-CB 3.9Å; W316-C320 HydrophobicContact CZ3-CB 4.42Å; W316-C320 VanDerWaalsContact O-CA 3.32Å; W316-C320 WeakPolarHBondContact O-CA 3.49Å; W316-C320 PolarHBondContact O-N 2.73Å; C320-L447 HydrophobicContact CB-CD1 3.61Å; C320-Q451 HydrophobicContact CB-CG 4.36Å; C320-Q451 WeakPolarHBondContact O-CG 3.38Å; C320-Q451 PolarHBondContact O-NE2 2.69Å
321	K	97.9	Very high	97.3	Very high	101 Å²	101	35.1 Å²	35.1	44%	0.439	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-7.8	-177.5	-74.9	162.1	174.9	156.5	0	113.2	N319 E450 Q451	N319-K321 PolarHBondContact O-N 2.77Å; N319-K321 PolarHBondContact OD1-N 3.16Å; K321-E450 WeakPolarHBondContact CE-O 3.2Å; K321-E450 PolarHBondContact NZ-O 3.36Å; K321-E450 IonicContact NZ-OE1 3.52Å; K321-E450 PolarHBondContact NZ-OE1 2.66Å; K321-Q451 VanDerWaalsContact CE-O 3.28Å; K321-Q451 WeakPolarHBondContact CE-O 3.24Å
322	E	97.3	Very high	97.2	Very high	92 Å²	92	37.9 Å²	37.9	43%	0.43	19%	0.191	S	C	.	.	S	Bend	trans	-124.5	152	176.9	-64.7	175.2	-140.9	0	0	111	N319 L324 K328	N319-E322 VanDerWaalsContact ND2-CD 3.27Å; N319-E322 PolarHBondContact ND2-OE1 2.8Å; E322-L324 PolarHBondContact O-N 3.36Å; E322-K328 IonicContact OE2-NZ 3.66Å; E322-K328 PolarHBondContact OE2-NZ 3.43Å
323	A	98.1	Very high	97.2	Very high	21 Å²	21	37.9 Å²	37.9	17%	0.174	19%	0.191	C	C	.	.			trans	-61.1	125.2	165.4	0	0	0	0	0	110.5	K328 L365 V367 L373	A323-K328 WeakPolarHBondContact O-CE 3.48Å; A323-K328 PolarHBondContact O-NZ 2.92Å; A323-L365 HydrophobicContact CB-CD2 4.29Å; A323-V367 HydrophobicContact CB-CG1 4.49Å; A323-L373 HydrophobicContact CB-CD2 3.81Å
324	L	98.3	Very high	97.1	Very high	16 Å²	16	38.1 Å²	38.1	8%	0.084	19%	0.192	C	C	.	.			trans	-83.5	113.1	172.1	-174.2	64.9	0	0	0	108.6	I312 L315 W316 E322 K328 C329 L351 I360 N361	I312-L324 HydrophobicContact CG2-CD2 4.07Å; I312-L324 WeakPolarHBondContact O-CD2 3.29Å; L315-L324 HydrophobicContact CB-CD1 3.87Å; L315-L324 HydrophobicContact CB-CD2 3.92Å; L315-L324 HydrophobicContact CD1-CD1 4.45Å; W316-L324 HydrophobicContact CB-CD2 4.1Å; W316-L324 HydrophobicContact CE3-CB 4.5Å; E322-L324 PolarHBondContact O-N 3.36Å; L324-K328 HydrophobicContact CD1-CB 4.14Å; L324-C329 WeakPolarHBondContact CD1-SG 3.34Å; L324-C329 VanDerWaalsContact CG-SG 3.55Å; L324-L351 HydrophobicContact CD2-CD1 4.15Å; L324-L351 HydrophobicContact CG-CD1 4.15Å; L324-I360 HydrophobicContact CD2-CD1 4.44Å; L324-N361 WeakPolarHBondContact CB-OD1 3.23Å; L324-N361 PolarHBondContact N-OD1 3.3Å; L324-N361 PolarHBondContact O-ND2 2.98Å
325	T	97.4	Very high	97.1	Very high	44 Å²	44	38.6 Å²	38.6	27%	0.27	20%	0.195	S	C	.	.			trans	-110.5	161.9	-175.5	79.5	0	0	0	0	111.6	Q327 K328 C329	T325-Q327 VanDerWaalsContact CB-OE1 3.3Å; T325-Q327 PolarHBondContact O-N 3.28Å; T325-Q327 PolarHBondContact OG1-OE1 3.06Å; T325-K328 PolarHBondContact O-N 2.85Å; T325-C329 PolarHBondContact O-N 3.45Å; T325-C329 PolarHBondContact O-SG 2.92Å
326	P	96.4	Very high	97.1	Very high	8 Å²	8	38.5 Å²	38.5	5%	0.052	19%	0.193	C	C	.	.	H	α-helix	trans	-54.6	-40.8	179.6	-25.5	34.6	0	0	0	112.1	K328 C329 I330 E348 L351	P326-K328 PolarHBondContact O-N 3.4Å; P326-C329 PolarHBondContact O-N 3.46Å; P326-C329 VanDerWaalsContact O-N 3.14Å; P326-I330 HydrophobicContact CB-CD1 4.39Å; P326-I330 WeakPolarHBondContact O-CB 3.23Å; P326-I330 WeakPolarHBondContact O-CD1 3.47Å; P326-I330 WeakPolarHBondContact O-CG1 3.44Å; P326-I330 PolarHBondContact O-N 3.14Å; P326-E348 HydrophobicContact CB-CG 4.5Å; P326-E348 HydrophobicContact CG-CB 4.45Å; P326-E348 HydrophobicContact CG-CG 4.01Å; P326-L351 HydrophobicContact CB-CD2 4.45Å; P326-L351 VanDerWaalsContact CD-CD2 3.4Å; P326-L351 HydrophobicContact CG-CD2 3.68Å
327	Q	94.1	Very high	97.1	Very high	115 Å²	115	38.5 Å²	38.5	54%	0.537	19%	0.193	S	C	.	.	H	α-helix	trans	-61.3	-42.1	179.9	-55.6	75.6	18.7	0	0	111.5	T325 C329 H331	T325-Q327 VanDerWaalsContact CB-OE1 3.3Å; T325-Q327 PolarHBondContact O-N 3.28Å; T325-Q327 PolarHBondContact OG1-OE1 3.06Å; Q327-C329 VanDerWaalsContact C-N 3.31Å; Q327-C329 PolarHBondContact O-N 3.01Å; Q327-H331 PolarHBondContact O-CE1 3.19Å; Q327-H331 PolarHBondContact O-ND1 3.15Å; Q327-H331 PolarHBondContact O-NE2 3.14Å
328	K	95.8	Very high	97.2	Very high	70 Å²	70	37.2 Å²	37.2	30%	0.304	19%	0.188	S	C	.	.	H	α-helix	trans	-59.3	-44.9	176.1	-67	-176.4	-175.1	178.6	0	110.8	E322 A323 L324 T325 P326 H331 H332	E322-K328 IonicContact OE2-NZ 3.66Å; E322-K328 PolarHBondContact OE2-NZ 3.43Å; A323-K328 WeakPolarHBondContact O-CE 3.48Å; A323-K328 PolarHBondContact O-NZ 2.92Å; L324-K328 HydrophobicContact CD1-CB 4.14Å; T325-K328 PolarHBondContact O-N 2.85Å; P326-K328 PolarHBondContact O-N 3.4Å; K328-H331 PolarHBondContact O-ND1 3.21Å; K328-H332 PolarHBondContact O-CD2 3.4Å
329	C	97.7	Very high	97.3	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-73.6	-37.9	-175.9	-56.1	0	0	0	0	114.1	L315 L324 T325 P326 Q327 H331 H332 I333 M347	L315-C329 HydrophobicContact CD1-CB 4.04Å; L324-C329 WeakPolarHBondContact CD1-SG 3.34Å; L324-C329 VanDerWaalsContact CG-SG 3.55Å; T325-C329 PolarHBondContact O-N 3.45Å; T325-C329 PolarHBondContact O-SG 2.92Å; P326-C329 PolarHBondContact O-N 3.46Å; P326-C329 VanDerWaalsContact O-N 3.14Å; Q327-C329 VanDerWaalsContact C-N 3.31Å; Q327-C329 PolarHBondContact O-N 3.01Å; C329-H331 PolarHBondContact O-N 2.89Å; C329-H331 VanDerWaalsContact O-N 3.09Å; C329-H332 PolarHBondContact O-N 2.86Å; C329-I333 PolarHBondContact O-N 2.95Å; C329-M347 HydrophobicContact CB-CE 3.35Å; C329-M347 HydrophobicContact CB-CG 4.17Å; C329-M347 HydrophobicContact CB-SD 3.42Å; C329-M347 WeakPolarHBondContact CB-SD 3.25Å; C329-M347 VanDerWaalsContact SG-CE 3.57Å
330	I	95.4	Very high	97.4	Very high	31 Å²	31	30.9 Å²	30.9	16%	0.159	15%	0.151	C	C	.	.	H	α-helix	trans	-54.2	-33	-178.5	-74.9	164.3	0	0	0	112.4	P326 H332 I333 R340 V344	P326-I330 HydrophobicContact CB-CD1 4.39Å; P326-I330 WeakPolarHBondContact O-CB 3.23Å; P326-I330 WeakPolarHBondContact O-CD1 3.47Å; P326-I330 WeakPolarHBondContact O-CG1 3.44Å; P326-I330 PolarHBondContact O-N 3.14Å; I330-H332 VanDerWaalsContact C-N 3.29Å; I330-H332 PolarHBondContact O-N 2.72Å; I330-I333 PolarHBondContact O-N 2.92Å; I330-R340 PolarHBondContact O-NH2 3.07Å; I330-V344 HydrophobicContact CD1-CG1 3.81Å; I330-V344 HydrophobicContact CG1-CB 4.48Å; I330-V344 HydrophobicContact CG1-CG1 3.84Å; I330-V344 HydrophobicContact CG1-CG2 4.11Å; I330-V344 HydrophobicContact CG2-CG1 4.43Å; I330-V344 HydrophobicContact CG2-CG2 4.05Å
331	H	94.8	Very high	97.4	Very high	36 Å²	36	30.7 Å²	30.7	17%	0.167	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-31.7	176.4	-50.6	130.4	0	0	0	113.2	P161 K165 Q327 K328 C329 I334	P161-H331 VanDerWaalsContact CA-O 3.23Å; P161-H331 WeakPolarHBondContact CA-O 3.27Å; P161-H331 HydrophobicContact CB-CB 4.05Å; P161-H331 WeakPolarHBondContact CB-O 3.44Å; P161-H331 WeakPolarHBondContact CG-O 3.31Å; K165-H331 WeakPolarHBondContact CA-CD2 3.43Å; K165-H331 WeakPolarHBondContact CA-NE2 3.3Å; K165-H331 PolarHBondContact N-CD2 3.29Å; Q327-H331 PolarHBondContact O-CE1 3.19Å; Q327-H331 PolarHBondContact O-ND1 3.15Å; Q327-H331 PolarHBondContact O-NE2 3.14Å; K328-H331 PolarHBondContact O-ND1 3.21Å; C329-H331 PolarHBondContact O-N 2.89Å; C329-H331 VanDerWaalsContact O-N 3.09Å; H331-I334 WeakPolarHBondContact O-CD1 3.34Å
332	H	97.4	Very high	97.4	Very high	58 Å²	58	27 Å²	27	27%	0.269	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-7.6	-177.1	-63.8	-91.9	0	0	0	113.5	V215 L311 L315 K328 C329 I330 I334	V215-H332 HydrophobicContact CG2-CB 4.47Å; L311-H332 HydrophobicContact CD1-CB 3.92Å; L311-H332 HydrophobicContact CD2-CB 4.16Å; L315-H332 HydrophobicContact CD1-CB 4.47Å; K328-H332 PolarHBondContact O-CD2 3.4Å; C329-H332 PolarHBondContact O-N 2.86Å; I330-H332 VanDerWaalsContact C-N 3.29Å; I330-H332 PolarHBondContact O-N 2.72Å; H332-I334 PolarHBondContact O-N 3.08Å
333	I	98.3	Very high	97.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.113	C	C	.	.			trans	-76.1	89.8	169.5	-59.4	174	0	0	0	107.9	L211 L308 L311 C329 I330 V335 R340 C343 V344 M347	L211-I333 HydrophobicContact CD2-CG2 3.97Å; L308-I333 HydrophobicContact CD2-CD1 3.62Å; L308-I333 HydrophobicContact CD2-CG1 3.92Å; L311-I333 HydrophobicContact CD2-CG1 3.86Å; C329-I333 PolarHBondContact O-N 2.95Å; I330-I333 PolarHBondContact O-N 2.92Å; I333-V335 HydrophobicContact CG2-CG1 4.49Å; I333-R340 HydrophobicContact CG2-CG 4.31Å; I333-R340 PolarHBondContact O-NE 3.47Å; I333-R340 PolarHBondContact O-NH2 3.37Å; I333-C343 HydrophobicContact CG2-CB 3.77Å; I333-V344 HydrophobicContact CD1-CG2 4.05Å; I333-V344 HydrophobicContact CG2-CG2 4.46Å; I333-M347 HydrophobicContact CD1-CB 3.65Å; I333-M347 HydrophobicContact CD1-CG 3.64Å; I333-M347 HydrophobicContact CD1-SD 3.95Å
334	I	98.3	Very high	97.4	Very high	10 Å²	10	22.2 Å²	22.2	5%	0.051	11%	0.108	C	C	.	.			trans	-106.7	99.3	176.9	-53.2	-66.2	0	0	0	109.3	Y138 L159 P161 K212 H331 H332	Y138-I334 HydrophobicContact CE1-CG2 3.95Å; L159-I334 HydrophobicContact CD2-CD1 4.12Å; L159-I334 HydrophobicContact CG-CD1 3.94Å; P161-I334 HydrophobicContact CG-CD1 4.37Å; P161-I334 HydrophobicContact CG-CG1 4.48Å; K212-I334 HydrophobicContact CB-CB 4.38Å; K212-I334 HydrophobicContact CB-CG2 4.13Å; K212-I334 PolarHBondContact N-O 3.12Å; H331-I334 WeakPolarHBondContact O-CD1 3.34Å; H332-I334 PolarHBondContact O-N 3.08Å
335	V	98.4	Very high	97.3	Very high	11 Å²	11	24.5 Å²	24.5	7%	0.067	12%	0.118	C	C	.	.			trans	-143.4	150.2	172.6	66.4	0	0	0	0	109.2	Y138 P209 L211 I333 V339 R340	Y138-V335 VanDerWaalsContact CD1-O 3.3Å; Y138-V335 WeakPolarHBondContact CD1-O 3.17Å; P209-V335 HydrophobicContact CB-CG2 4.15Å; L211-V335 HydrophobicContact CD2-CB 4.05Å; L211-V335 HydrophobicContact CD2-CG1 4.19Å; I333-V335 HydrophobicContact CG2-CG1 4.49Å; V335-V339 HydrophobicContact CG1-CG1 4.23Å; V335-V339 HydrophobicContact CG2-CG1 4.14Å; V335-R340 HydrophobicContact CG1-CB 3.69Å; V335-R340 HydrophobicContact CG1-CG 4.08Å; V335-R340 WeakPolarHBondContact O-CD 3.29Å
336	R	98.3	Very high	97.3	Very high	17 Å²	17	22.7 Å²	22.7	6%	0.064	11%	0.107	C	C	.	.			trans	-81.6	157.7	-179.5	-66.8	175.3	177.9	-69.7	-9.5	111.1	A132 D133 L136 Y138 V339	A132-R336 WeakPolarHBondContact O-CB 3.47Å; A132-R336 VanDerWaalsContact O-CD 3.26Å; A132-R336 WeakPolarHBondContact O-CD 3.3Å; D133-R336 VanDerWaalsContact O-CD 3.29Å; D133-R336 WeakPolarHBondContact O-CD 3.32Å; D133-R336 PolarHBondContact O-NE 2.78Å; L136-R336 HydrophobicContact CB-CB 3.65Å; L136-R336 WeakPolarHBondContact O-CD 3.43Å; L136-R336 WeakPolarHBondContact O-CG 3.32Å; L136-R336 PolarHBondContact O-NH1 2.72Å; Y138-R336 HydrophobicContact CD1-CB 4.47Å; Y138-R336 HydrophobicContact CD1-CG 3.99Å; Y138-R336 HydrophobicContact CD2-CG 4.39Å; Y138-R336 HydrophobicContact CE1-CB 4.38Å; Y138-R336 HydrophobicContact CE1-CG 3.57Å; Y138-R336 HydrophobicContact CE2-CG 4Å; Y138-R336 VanDerWaalsContact CE2-NH1 3.31Å; Y138-R336 HydrophobicContact CG-CG 4.39Å; R336-V339 WeakPolarHBondContact O-CG1 3.47Å
337	G	98.2	Very high	97.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	78.1	177.9	173.1	0	0	0	0	0	115.9	E89 P137 V339 R340	E89-G337 WeakPolarHBondContact OE1-CA 3.34Å; P137-G337 WeakPolarHBondContact O-CA 3.34Å; P137-G337 PolarHBondContact O-N 2.78Å; G337-V339 PolarHBondContact O-N 3.26Å; G337-R340 WeakPolarHBondContact O-CB 3.42Å; G337-R340 PolarHBondContact O-N 2.89Å; G337-R340 VanDerWaalsContact O-N 3.13Å
338	L	98.4	Very high	97.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.7	-179.1	-75.4	170	0	0	0	112.6	E89 W139 R192 V196 W201 R340 I341	E89-L338 HydrophobicContact CG-CD1 3.99Å; E89-L338 HydrophobicContact CG-CG 4.33Å; E89-L338 PolarHBondContact OE1-N 3.28Å; E89-L338 PolarHBondContact OE2-N 3.38Å; W139-L338 HydrophobicContact CD2-CD2 3.84Å; W139-L338 VanDerWaalsContact CE2-CD2 3.46Å; W139-L338 HydrophobicContact CE3-CD2 4.19Å; W139-L338 HydrophobicContact CG-CD2 4.45Å; W139-L338 HydrophobicContact CH2-CD2 3.88Å; W139-L338 HydrophobicContact CZ2-CD2 3.49Å; W139-L338 VanDerWaalsContact CZ2-CD2 3.49Å; W139-L338 HydrophobicContact CZ2-CG 4Å; W139-L338 HydrophobicContact CZ3-CD2 4.21Å; R192-L338 HydrophobicContact CB-CD1 3.95Å; R192-L338 HydrophobicContact CB-CD2 4.49Å; V196-L338 HydrophobicContact CG2-CB 3.93Å; V196-L338 HydrophobicContact CG2-CD1 4.48Å; V196-L338 HydrophobicContact CG2-CD2 4Å; V196-L338 HydrophobicContact CG2-CG 4.37Å; W201-L338 HydrophobicContact CH2-CB 4.01Å; W201-L338 HydrophobicContact CZ2-CB 3.66Å; W201-L338 HydrophobicContact CZ2-CD1 4.41Å; L338-R340 PolarHBondContact O-N 2.85Å; L338-R340 VanDerWaalsContact O-N 3.12Å; L338-I341 HydrophobicContact CD2-CD1 3.79Å; L338-I341 VanDerWaalsContact O-CB 3.26Å; L338-I341 WeakPolarHBondContact O-CB 3.34Å; L338-I341 WeakPolarHBondContact O-CG1 3.11Å; L338-I341 PolarHBondContact O-N 2.72Å
339	V	98.4	Very high	97.5	Very high	13 Å²	13	21.9 Å²	21.9	8%	0.079	10%	0.099	C	C	.	.	H	α-helix	trans	-58.8	-25.7	176.8	73.1	0	0	0	0	112.6	W201 L205 P209 V335 R336 G337 I341 R342 C343	W201-V339 HydrophobicContact CH2-CB 4.17Å; W201-V339 HydrophobicContact CZ3-CB 4.46Å; W201-V339 HydrophobicContact CZ3-CG2 4.47Å; L205-V339 HydrophobicContact CD1-CB 3.97Å; L205-V339 HydrophobicContact CD1-CG2 3.55Å; P209-V339 HydrophobicContact CB-CG1 4.01Å; P209-V339 HydrophobicContact CB-CG2 3.74Å; P209-V339 HydrophobicContact CG-CG2 3.81Å; V335-V339 HydrophobicContact CG1-CG1 4.23Å; V335-V339 HydrophobicContact CG2-CG1 4.14Å; R336-V339 WeakPolarHBondContact O-CG1 3.47Å; G337-V339 PolarHBondContact O-N 3.26Å; V339-I341 PolarHBondContact O-N 2.98Å; V339-R342 PolarHBondContact O-N 3.33Å; V339-R342 VanDerWaalsContact O-N 3.17Å; V339-C343 PolarHBondContact O-N 2.91Å; V339-C343 PolarHBondContact O-SG 3.32Å
340	R	98.4	Very high	97.6	Very high	1 Å²	1	21.9 Å²	21.9	0%	0.004	10%	0.099	C	C	.	.	H	α-helix	trans	-58.9	-32.7	172.2	-173.2	168.5	178.2	-74.9	-18.9	112.6	W139 L159 I330 I333 V335 G337 L338 C343 V344	W139-R340 WeakPolarHBondContact O-CD 3.43Å; W139-R340 PolarHBondContact O-NH1 2.82Å; L159-R340 VanDerWaalsContact CD2-NE 3.34Å; I330-R340 PolarHBondContact O-NH2 3.07Å; I333-R340 HydrophobicContact CG2-CG 4.31Å; I333-R340 PolarHBondContact O-NE 3.47Å; I333-R340 PolarHBondContact O-NH2 3.37Å; V335-R340 HydrophobicContact CG1-CB 3.69Å; V335-R340 HydrophobicContact CG1-CG 4.08Å; V335-R340 WeakPolarHBondContact O-CD 3.29Å; G337-R340 WeakPolarHBondContact O-CB 3.42Å; G337-R340 PolarHBondContact O-N 2.89Å; G337-R340 VanDerWaalsContact O-N 3.13Å; L338-R340 PolarHBondContact O-N 2.85Å; L338-R340 VanDerWaalsContact O-N 3.12Å; R340-C343 PolarHBondContact O-N 3.38Å; R340-V344 WeakPolarHBondContact O-CB 3.27Å; R340-V344 WeakPolarHBondContact O-CG2 3.39Å; R340-V344 PolarHBondContact O-N 2.99Å
341	I	98.2	Very high	97.8	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-66.4	-49	177	-50.6	-173	0	0	0	109.2	W139 W150 V193 V196 L338 V339 C343 V344 Q345	W139-I341 HydrophobicContact CB-CD1 4.49Å; W139-I341 HydrophobicContact CB-CG1 4.36Å; W139-I341 HydrophobicContact CD2-CD1 4.43Å; W139-I341 HydrophobicContact CE3-CD1 4.21Å; W150-I341 HydrophobicContact CB-CD1 4.17Å; W150-I341 HydrophobicContact CD2-CD1 3.88Å; W150-I341 HydrophobicContact CD2-CG1 3.79Å; W150-I341 HydrophobicContact CD2-CG2 4.29Å; W150-I341 HydrophobicContact CE3-CD1 4Å; W150-I341 HydrophobicContact CE3-CG1 3.66Å; W150-I341 HydrophobicContact CG-CD1 3.96Å; W150-I341 HydrophobicContact CG-CG1 4.38Å; W150-I341 HydrophobicContact CH2-CB 4.36Å; W150-I341 HydrophobicContact CH2-CG1 4.08Å; W150-I341 HydrophobicContact CZ2-CB 4.27Å; W150-I341 HydrophobicContact CZ2-CG1 4.25Å; W150-I341 HydrophobicContact CZ2-CG2 3.99Å; W150-I341 HydrophobicContact CZ3-CG1 3.79Å; V193-I341 HydrophobicContact CB-CD1 4.32Å; V193-I341 HydrophobicContact CG1-CD1 3.99Å; V193-I341 HydrophobicContact CG2-CD1 3.88Å; V196-I341 HydrophobicContact CB-CB 4.44Å; V196-I341 HydrophobicContact CB-CG2 4.4Å; V196-I341 HydrophobicContact CG1-CB 4.02Å; V196-I341 HydrophobicContact CG1-CG2 4.3Å; V196-I341 HydrophobicContact CG2-CB 4.48Å; V196-I341 HydrophobicContact CG2-CD1 4.44Å; L338-I341 HydrophobicContact CD2-CD1 3.79Å; L338-I341 VanDerWaalsContact O-CB 3.26Å; L338-I341 WeakPolarHBondContact O-CB 3.34Å; L338-I341 WeakPolarHBondContact O-CG1 3.11Å; L338-I341 PolarHBondContact O-N 2.72Å; V339-I341 PolarHBondContact O-N 2.98Å; I341-C343 PolarHBondContact O-N 2.95Å; I341-V344 PolarHBondContact O-N 2.98Å; I341-V344 VanDerWaalsContact O-N 3.14Å; I341-Q345 WeakPolarHBondContact O-CG 3.41Å; I341-Q345 PolarHBondContact O-N 3.41Å
342	R	97.9	Very high	97.9	Very high	23 Å²	23	21 Å²	21	9%	0.087	9%	0.093	C	C	.	.	H	α-helix	trans	-58.4	-45.3	174.4	-167.3	74.9	-172.5	107.2	14	111.8	V196 W201 M304 V339 V344 Q345 E346	V196-R342 HydrophobicContact CG1-CB 3.7Å; V196-R342 WeakPolarHBondContact O-CD 3.13Å; W201-R342 HydrophobicContact CZ3-CB 4.13Å; M304-R342 HydrophobicContact CE-CG 3.94Å; M304-R342 HydrophobicContact SD-CG 4.15Å; V339-R342 PolarHBondContact O-N 3.33Å; V339-R342 VanDerWaalsContact O-N 3.17Å; R342-V344 VanDerWaalsContact C-N 3.29Å; R342-V344 PolarHBondContact O-N 3.2Å; R342-Q345 PolarHBondContact O-N 3.14Å; R342-E346 HydrophobicContact CG-CG 4.49Å; R342-E346 IonicContact CZ-OE1 2.78Å; R342-E346 IonicContact NH1-OE1 3.87Å; R342-E346 PolarHBondContact NH1-OE1 2.81Å; R342-E346 IonicContact NH2-OE1 2.7Å; R342-E346 PolarHBondContact NH2-OE1 3.05Å; R342-E346 IonicContact NH2-OE2 3.16Å; R342-E346 WeakPolarHBondContact O-CB 3.4Å; R342-E346 WeakPolarHBondContact O-CG 3.32Å; R342-E346 PolarHBondContact O-N 3.45Å
343	C	98.4	Very high	98	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.007	8%	0.081	C	C	.	.	H	α-helix	trans	-59.3	-38.8	176.2	-63.2	0	0	0	0	112.4	M304 L308 I333 V339 R340 I341 M347	M304-C343 VanDerWaalsContact SD-SG 3.61Å; L308-C343 HydrophobicContact CD1-CB 4.48Å; L308-C343 WeakPolarHBondContact CD1-O 3.31Å; L308-C343 HydrophobicContact CD2-CB 4.4Å; I333-C343 HydrophobicContact CG2-CB 3.77Å; V339-C343 PolarHBondContact O-N 2.91Å; V339-C343 PolarHBondContact O-SG 3.32Å; R340-C343 PolarHBondContact O-N 3.38Å; I341-C343 PolarHBondContact O-N 2.95Å; C343-M347 WeakPolarHBondContact O-CB 3.37Å; C343-M347 PolarHBondContact O-N 3.24Å
344	V	97.4	Very high	98	Very high	11 Å²	11	18.4 Å²	18.4	7%	0.067	8%	0.081	C	C	.	.	H	α-helix	trans	-72.5	-34.9	178.5	161.2	0	0	0	0	112.6	W150 I330 I333 R340 I341 R342	W150-V344 HydrophobicContact CH2-CB 3.97Å; W150-V344 HydrophobicContact CH2-CG1 4.1Å; W150-V344 HydrophobicContact CH2-CG2 3.96Å; W150-V344 HydrophobicContact CZ2-CB 4.06Å; W150-V344 HydrophobicContact CZ2-CG1 3.82Å; I330-V344 HydrophobicContact CD1-CG1 3.81Å; I330-V344 HydrophobicContact CG1-CB 4.48Å; I330-V344 HydrophobicContact CG1-CG1 3.84Å; I330-V344 HydrophobicContact CG1-CG2 4.11Å; I330-V344 HydrophobicContact CG2-CG1 4.43Å; I330-V344 HydrophobicContact CG2-CG2 4.05Å; I333-V344 HydrophobicContact CD1-CG2 4.05Å; I333-V344 HydrophobicContact CG2-CG2 4.46Å; R340-V344 WeakPolarHBondContact O-CB 3.27Å; R340-V344 WeakPolarHBondContact O-CG2 3.39Å; R340-V344 PolarHBondContact O-N 2.99Å; I341-V344 PolarHBondContact O-N 2.98Å; I341-V344 VanDerWaalsContact O-N 3.14Å; R342-V344 VanDerWaalsContact C-N 3.29Å; R342-V344 PolarHBondContact O-N 3.2Å
345	Q	95.6	Very high	98.1	Very high	64 Å²	64	18 Å²	18	30%	0.299	8%	0.079	S	C	.	.	H	α-helix	trans	-65.8	-44.9	172.5	-68.7	168.9	-25.6	0	0	111.7	S197 I341 R342	S197-Q345 PolarHBondContact OG-NE2 3.41Å; I341-Q345 WeakPolarHBondContact O-CG 3.41Å; I341-Q345 PolarHBondContact O-N 3.41Å; R342-Q345 PolarHBondContact O-N 3.14Å
346	E	97.6	Very high	98.1	Very high	6 Å²	6	18.1 Å²	18.1	3%	0.028	8%	0.078	C	C	.	.	H	α-helix	trans	-76.5	-32.4	-175.6	-69.4	-67	127.8	0	0	113.2	Y298 M304 L308 R342 E348 R349 I350	Y298-E346 VanDerWaalsContact OH-CG 3.28Å; Y298-E346 WeakPolarHBondContact OH-CG 3.3Å; Y298-E346 PolarHBondContact OH-OE2 2.9Å; M304-E346 HydrophobicContact CE-CG 4.08Å; L308-E346 HydrophobicContact CD1-CB 4.15Å; R342-E346 HydrophobicContact CG-CG 4.49Å; R342-E346 IonicContact CZ-OE1 2.78Å; R342-E346 IonicContact NH1-OE1 3.87Å; R342-E346 PolarHBondContact NH1-OE1 2.81Å; R342-E346 IonicContact NH2-OE1 2.7Å; R342-E346 PolarHBondContact NH2-OE1 3.05Å; R342-E346 IonicContact NH2-OE2 3.16Å; R342-E346 WeakPolarHBondContact O-CB 3.4Å; R342-E346 WeakPolarHBondContact O-CG 3.32Å; R342-E346 PolarHBondContact O-N 3.45Å; E346-E348 PolarHBondContact O-N 2.86Å; E346-E348 VanDerWaalsContact O-N 3.17Å; E346-R349 VanDerWaalsContact CD-NH1 3.31Å; E346-R349 PolarHBondContact O-N 3.27Å; E346-R349 VanDerWaalsContact O-N 3.16Å; E346-R349 WeakPolarHBondContact OE1-CD 3.41Å; E346-R349 IonicContact OE1-NH1 2.81Å; E346-R349 PolarHBondContact OE1-NH1 3.49Å; E346-R349 IonicContact OE2-CZ 3.73Å; E346-R349 IonicContact OE2-NH1 2.95Å; E346-R349 PolarHBondContact OE2-NH1 3.4Å; E346-I350 VanDerWaalsContact O-CG1 3.3Å; E346-I350 WeakPolarHBondContact O-CG1 3.49Å; E346-I350 PolarHBondContact O-N 3.31Å
347	M	97.5	Very high	98.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-46.1	-42.1	170.2	166.8	69.4	-122.4	0	0	112.5	L308 I312 C329 I333 C343 L351	L308-M347 HydrophobicContact CD2-CB 4.29Å; L308-M347 HydrophobicContact CD2-SD 4.45Å; I312-M347 HydrophobicContact CD1-CE 3.54Å; I312-M347 HydrophobicContact CD1-SD 4Å; I312-M347 HydrophobicContact CG1-CE 3.44Å; I312-M347 VanDerWaalsContact CG1-CE 3.44Å; I312-M347 HydrophobicContact CG1-SD 3.91Å; C329-M347 HydrophobicContact CB-CE 3.35Å; C329-M347 HydrophobicContact CB-CG 4.17Å; C329-M347 HydrophobicContact CB-SD 3.42Å; C329-M347 WeakPolarHBondContact CB-SD 3.25Å; C329-M347 VanDerWaalsContact SG-CE 3.57Å; I333-M347 HydrophobicContact CD1-CB 3.65Å; I333-M347 HydrophobicContact CD1-CG 3.64Å; I333-M347 HydrophobicContact CD1-SD 3.95Å; C343-M347 WeakPolarHBondContact O-CB 3.37Å; C343-M347 PolarHBondContact O-N 3.24Å; M347-L351 HydrophobicContact CE-CB 3.79Å; M347-L351 HydrophobicContact CE-CD1 3.73Å; M347-L351 HydrophobicContact CE-CD2 4.4Å; M347-L351 HydrophobicContact CE-CG 4.19Å; M347-L351 WeakPolarHBondContact O-CB 3.26Å; M347-L351 PolarHBondContact O-N 3.28Å
348	E	96.1	Very high	98.1	Very high	78 Å²	78	20.8 Å²	20.8	36%	0.364	9%	0.094	S	C	.	.	H	α-helix	trans	-69.4	-45.7	-178.9	-177.6	160.3	-165	0	0	112.4	P326 E346 I350 L351 Y352	P326-E348 HydrophobicContact CB-CG 4.5Å; P326-E348 HydrophobicContact CG-CB 4.45Å; P326-E348 HydrophobicContact CG-CG 4.01Å; E346-E348 PolarHBondContact O-N 2.86Å; E346-E348 VanDerWaalsContact O-N 3.17Å; E348-I350 VanDerWaalsContact C-N 3.34Å; E348-I350 PolarHBondContact O-N 2.95Å; E348-L351 PolarHBondContact O-N 3.19Å; E348-Y352 HydrophobicContact CG-CD2 3.92Å; E348-Y352 HydrophobicContact CG-CE2 3.21Å; E348-Y352 WeakPolarHBondContact O-CD2 3.49Å; E348-Y352 PolarHBondContact O-N 3.23Å; E348-Y352 VanDerWaalsContact O-N 3.1Å; E348-Y352 VanDerWaalsContact OE1-CE2 3.3Å; E348-Y352 WeakPolarHBondContact OE1-CE2 3.41Å; E348-Y352 PolarHBondContact OE1-OH 3.5Å
349	R	97.8	Very high	98.1	Very high	99 Å²	99	23.7 Å²	23.7	37%	0.374	11%	0.11	S	C	.	.	H	α-helix	trans	-56.8	-47.3	173.8	-65.2	173.7	62.5	-157.2	2.6	111.6	F295 E297 E346 Y352 F353	F295-R349 HydrophobicContact CE1-CB 3.92Å; F295-R349 HydrophobicContact CZ-CB 4.4Å; E297-R349 IonicContact OE1-CZ 3.21Å; E297-R349 VanDerWaalsContact OE1-CZ 3.25Å; E297-R349 IonicContact OE1-NH1 3.79Å; E297-R349 PolarHBondContact OE1-NH1 2.85Å; E297-R349 IonicContact OE1-NH2 2.69Å; E297-R349 PolarHBondContact OE1-NH2 2.92Å; E346-R349 VanDerWaalsContact CD-NH1 3.31Å; E346-R349 PolarHBondContact O-N 3.27Å; E346-R349 VanDerWaalsContact O-N 3.16Å; E346-R349 WeakPolarHBondContact OE1-CD 3.41Å; E346-R349 IonicContact OE1-NH1 2.81Å; E346-R349 PolarHBondContact OE1-NH1 3.49Å; E346-R349 IonicContact OE2-CZ 3.73Å; E346-R349 IonicContact OE2-NH1 2.95Å; E346-R349 PolarHBondContact OE2-NH1 3.4Å; R349-Y352 PolarHBondContact O-N 2.87Å; R349-F353 PolarHBondContact O-N 2.94Å
350	I	98.8	Very high	98.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-66.5	-39	-178	-59.1	168.5	0	0	0	110.4	F295 Y305 L308 R309 I312 E346 E348 F353 M354	F295-I350 HydrophobicContact CE1-CG1 4.19Å; F295-I350 HydrophobicContact CZ-CG1 4.06Å; Y305-I350 HydrophobicContact CD2-CD1 3.59Å; Y305-I350 HydrophobicContact CD2-CG1 3.86Å; Y305-I350 HydrophobicContact CE2-CB 4.49Å; Y305-I350 HydrophobicContact CE2-CD1 3.97Å; Y305-I350 HydrophobicContact CE2-CG1 3.76Å; Y305-I350 HydrophobicContact CE2-CG2 3.97Å; Y305-I350 HydrophobicContact CG-CD1 4.36Å; L308-I350 HydrophobicContact CB-CD1 3.84Å; L308-I350 HydrophobicContact CD1-CD1 3.85Å; R309-I350 HydrophobicContact CB-CG2 4.31Å; I312-I350 HydrophobicContact CD1-CB 4.03Å; I312-I350 HydrophobicContact CD1-CG2 3.57Å; E346-I350 VanDerWaalsContact O-CG1 3.3Å; E346-I350 WeakPolarHBondContact O-CG1 3.49Å; E346-I350 PolarHBondContact O-N 3.31Å; E348-I350 VanDerWaalsContact C-N 3.34Å; E348-I350 PolarHBondContact O-N 2.95Å; I350-F353 PolarHBondContact O-N 3.5Å; I350-M354 HydrophobicContact CG2-CG 4.26Å; I350-M354 HydrophobicContact CG2-SD 3.74Å; I350-M354 WeakPolarHBondContact O-CB 3.45Å; I350-M354 VanDerWaalsContact O-CG 3.25Å; I350-M354 WeakPolarHBondContact O-CG 3.4Å; I350-M354 PolarHBondContact O-N 3.13Å
351	L	98.8	Very high	98.2	Very high	3 Å²	3	23.1 Å²	23.1	2%	0.016	11%	0.106	C	C	.	.	H	α-helix	trans	-61.2	-46.5	176.3	-168.2	77.3	0	0	0	112.3	I312 L324 P326 M347 E348 M354 T355 I360	I312-L351 HydrophobicContact CG1-CD1 4.48Å; I312-L351 HydrophobicContact CG2-CD1 3.98Å; L324-L351 HydrophobicContact CD2-CD1 4.15Å; L324-L351 HydrophobicContact CG-CD1 4.15Å; P326-L351 HydrophobicContact CB-CD2 4.45Å; P326-L351 VanDerWaalsContact CD-CD2 3.4Å; P326-L351 HydrophobicContact CG-CD2 3.68Å; M347-L351 HydrophobicContact CE-CB 3.79Å; M347-L351 HydrophobicContact CE-CD1 3.73Å; M347-L351 HydrophobicContact CE-CD2 4.4Å; M347-L351 HydrophobicContact CE-CG 4.19Å; M347-L351 WeakPolarHBondContact O-CB 3.26Å; M347-L351 PolarHBondContact O-N 3.28Å; E348-L351 PolarHBondContact O-N 3.19Å; L351-M354 PolarHBondContact O-N 2.81Å; L351-T355 VanDerWaalsContact O-CB 3.26Å; L351-T355 WeakPolarHBondContact O-CB 3.42Å; L351-T355 PolarHBondContact O-N 2.91Å; L351-T355 PolarHBondContact O-OG1 3.34Å; L351-I360 HydrophobicContact CD1-CD1 3.44Å; L351-I360 VanDerWaalsContact CD1-CD1 3.44Å; L351-I360 HydrophobicContact CG-CD1 4.15Å
352	Y	98.7	Very high	98.2	Very high	46 Å²	46	23.4 Å²	23.4	18%	0.18	11%	0.108	C	C	.	.	H	α-helix	trans	-68.6	-39.3	179.3	-62.3	-39.7	0	0	0	111.8	E348 R349 T355 R356 L373 L374 P375	E348-Y352 HydrophobicContact CG-CD2 3.92Å; E348-Y352 HydrophobicContact CG-CE2 3.21Å; E348-Y352 WeakPolarHBondContact O-CD2 3.49Å; E348-Y352 PolarHBondContact O-N 3.23Å; E348-Y352 VanDerWaalsContact O-N 3.1Å; E348-Y352 VanDerWaalsContact OE1-CE2 3.3Å; E348-Y352 WeakPolarHBondContact OE1-CE2 3.41Å; E348-Y352 PolarHBondContact OE1-OH 3.5Å; R349-Y352 PolarHBondContact O-N 2.87Å; Y352-T355 PolarHBondContact O-N 3.37Å; Y352-R356 VanDerWaalsContact O-CB 3.26Å; Y352-R356 WeakPolarHBondContact O-CB 3.28Å; Y352-R356 PolarHBondContact O-N 3.39Å; Y352-L373 WeakPolarHBondContact CD1-O 3.09Å; Y352-L374 HydrophobicContact CD1-CD2 4.25Å; Y352-L374 HydrophobicContact CG-CD2 4.49Å; Y352-L374 WeakPolarHBondContact O-CD2 3.47Å; Y352-P375 HydrophobicContact CD1-CG 4.43Å; Y352-P375 HydrophobicContact CD2-CG 3.64Å; Y352-P375 HydrophobicContact CE1-CG 4.29Å; Y352-P375 HydrophobicContact CE2-CG 3.44Å; Y352-P375 VanDerWaalsContact CE2-CG 3.44Å; Y352-P375 HydrophobicContact CG-CG 4.17Å
353	F	98.8	Very high	98.2	Very high	3 Å²	3	22.3 Å²	22.3	1%	0.013	10%	0.104	C	C	.	.	H	α-helix	trans	-57.5	-52.1	170.9	166.3	-98.8	0	0	0	112	D290 E291 E294 F295 R349 I350 T355 R356 K357	D290-F353 HydrophobicContact CB-CZ 4.23Å; E291-F353 HydrophobicContact CG-CE1 4.03Å; E291-F353 HydrophobicContact CG-CZ 4.18Å; E294-F353 HydrophobicContact CB-CD2 3.79Å; E294-F353 HydrophobicContact CB-CE2 3.62Å; E294-F353 HydrophobicContact CB-CZ 4.43Å; E294-F353 HydrophobicContact CG-CD2 3.47Å; E294-F353 VanDerWaalsContact CG-CD2 3.47Å; E294-F353 HydrophobicContact CG-CE2 3.88Å; E294-F353 HydrophobicContact CG-CG 4.22Å; F295-F353 HydrophobicContact CE2-CB 3.91Å; F295-F353 AromaticContact CE2-CD1 3.82Å; F295-F353 HydrophobicContact CE2-CD1 3.82Å; F295-F353 HydrophobicContact CE2-CD2 4.11Å; F295-F353 HydrophobicContact CE2-CE1 4.35Å; F295-F353 AromaticContact CE2-CG 3.68Å; F295-F353 HydrophobicContact CE2-CG 3.68Å; F295-F353 HydrophobicContact CZ-CB 3.86Å; F295-F353 HydrophobicContact CZ-CG 4.16Å; R349-F353 PolarHBondContact O-N 2.94Å; I350-F353 PolarHBondContact O-N 3.5Å; F353-T355 VanDerWaalsContact C-N 3.26Å; F353-T355 PolarHBondContact O-N 2.86Å; F353-R356 PolarHBondContact O-N 3.04Å; F353-K357 HydrophobicContact CD2-CG 4.09Å; F353-K357 HydrophobicContact CE1-CG 4.35Å; F353-K357 HydrophobicContact CE2-CD 4.27Å; F353-K357 HydrophobicContact CE2-CG 3.81Å; F353-K357 HydrophobicContact CZ-CD 4.47Å; F353-K357 HydrophobicContact CZ-CG 3.94Å; F353-K357 WeakPolarHBondContact O-CB 3.5Å; F353-K357 VanDerWaalsContact O-CG 3.32Å; F353-K357 WeakPolarHBondContact O-CG 3.23Å; F353-K357 PolarHBondContact O-N 2.86Å
354	M	98.9	Very high	98.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-64.7	-31.9	-179.3	-70.1	176	69.8	0	0	112.6	R309 I312 L313 I350 L351 G358 L359 I360	R309-M354 HydrophobicContact CB-SD 4.26Å; R309-M354 HydrophobicContact CG-CE 3.92Å; R309-M354 HydrophobicContact CG-SD 3.7Å; I312-M354 HydrophobicContact CB-CE 3.95Å; I312-M354 HydrophobicContact CB-SD 3.85Å; I312-M354 HydrophobicContact CD1-SD 3.8Å; I312-M354 HydrophobicContact CG1-SD 4.44Å; I312-M354 HydrophobicContact CG2-CE 3.49Å; I312-M354 VanDerWaalsContact CG2-CE 3.49Å; I312-M354 HydrophobicContact CG2-SD 3.54Å; I312-M354 VanDerWaalsContact CG2-SD 3.54Å; L313-M354 HydrophobicContact CD1-CE 4.49Å; L313-M354 HydrophobicContact CD2-CE 3.42Å; L313-M354 VanDerWaalsContact CD2-CE 3.42Å; L313-M354 HydrophobicContact CG-CE 3.55Å; I350-M354 HydrophobicContact CG2-CG 4.26Å; I350-M354 HydrophobicContact CG2-SD 3.74Å; I350-M354 WeakPolarHBondContact O-CB 3.45Å; I350-M354 VanDerWaalsContact O-CG 3.25Å; I350-M354 WeakPolarHBondContact O-CG 3.4Å; I350-M354 PolarHBondContact O-N 3.13Å; L351-M354 PolarHBondContact O-N 2.81Å; M354-G358 PolarHBondContact O-N 3.29Å; M354-L359 HydrophobicContact CB-CB 4.35Å; M354-L359 HydrophobicContact CG-CD1 4.27Å; M354-L359 PolarHBondContact O-N 3.02Å; M354-I360 HydrophobicContact CB-CD1 3.98Å; M354-I360 HydrophobicContact CB-CG1 4.03Å; M354-I360 HydrophobicContact CE-CG2 4.08Å
355	T	98.9	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	-69.9	-48.2	173.2	-62	0	0	0	0	111.3	L351 Y352 F353 K357 G358 N361 L373 L374 F402	L351-T355 VanDerWaalsContact O-CB 3.26Å; L351-T355 WeakPolarHBondContact O-CB 3.42Å; L351-T355 PolarHBondContact O-N 2.91Å; L351-T355 PolarHBondContact O-OG1 3.34Å; Y352-T355 PolarHBondContact O-N 3.37Å; F353-T355 VanDerWaalsContact C-N 3.26Å; F353-T355 PolarHBondContact O-N 2.86Å; T355-K357 VanDerWaalsContact C-N 3.29Å; T355-K357 PolarHBondContact O-N 3.32Å; T355-G358 WeakPolarHBondContact O-CA 3.27Å; T355-G358 PolarHBondContact O-N 3.21Å; T355-N361 HydrophobicContact CG2-CB 3.97Å; T355-N361 PolarHBondContact OG1-ND2 3.04Å; T355-L373 HydrophobicContact CG2-CB 3.76Å; T355-L373 HydrophobicContact CG2-CD1 4.12Å; T355-L374 HydrophobicContact CG2-CD2 3.95Å; T355-F402 HydrophobicContact CG2-CD1 4.39Å; T355-F402 HydrophobicContact CG2-CE1 3.89Å; T355-F402 WeakPolarHBondContact O-CZ 3.49Å
356	R	98.8	Very high	98.2	Very high	14 Å²	14	23.7 Å²	23.7	5%	0.053	12%	0.118	C	C	.	.	H	α-helix	trans	-59.5	-39.9	177.7	-165.9	179.1	82.6	-131.4	2.9	111.7	E294 Y352 F353 G358 L374 S815 A818	E294-R356 IonicContact OE1-CZ 2.7Å; E294-R356 VanDerWaalsContact OE1-CZ 3.26Å; E294-R356 IonicContact OE1-NH1 3.55Å; E294-R356 PolarHBondContact OE1-NH1 3.29Å; E294-R356 IonicContact OE1-NH2 2.79Å; E294-R356 PolarHBondContact OE1-NH2 3.02Å; E294-R356 IonicContact OE2-CZ 3.76Å; E294-R356 IonicContact OE2-NH1 3.56Å; E294-R356 IonicContact OE2-NH2 2.7Å; E294-R356 PolarHBondContact OE2-NH2 3.25Å; Y352-R356 VanDerWaalsContact O-CB 3.26Å; Y352-R356 WeakPolarHBondContact O-CB 3.28Å; Y352-R356 PolarHBondContact O-N 3.39Å; F353-R356 PolarHBondContact O-N 3.04Å; R356-G358 VanDerWaalsContact C-N 3.28Å; R356-G358 PolarHBondContact O-N 2.88Å; R356-L374 HydrophobicContact CB-CD1 4.12Å; R356-L374 HydrophobicContact CB-CD2 4.3Å; R356-L374 HydrophobicContact CG-CD1 4.04Å; R356-S815 VanDerWaalsContact O-CA 3.3Å; R356-S815 WeakPolarHBondContact O-CA 3.23Å; R356-S815 WeakPolarHBondContact O-CB 3.3Å; R356-S815 PolarHBondContact O-OG 2.86Å; R356-A818 WeakPolarHBondContact CD-O 3.12Å; R356-A818 HydrophobicContact CG-CB 4.21Å
357	K	98.7	Very high	98	Very high	60 Å²	60	24.1 Å²	24.1	26%	0.261	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-8	174.1	-68.3	-76.7	177.2	-178.7	0	114.2	D290 F353 T355 L359	D290-K357 WeakPolarHBondContact OD2-CE 3.38Å; D290-K357 IonicContact OD2-NZ 3.58Å; D290-K357 PolarHBondContact OD2-NZ 3.17Å; F353-K357 HydrophobicContact CD2-CG 4.09Å; F353-K357 HydrophobicContact CE1-CG 4.35Å; F353-K357 HydrophobicContact CE2-CD 4.27Å; F353-K357 HydrophobicContact CE2-CG 3.81Å; F353-K357 HydrophobicContact CZ-CD 4.47Å; F353-K357 HydrophobicContact CZ-CG 3.94Å; F353-K357 WeakPolarHBondContact O-CB 3.5Å; F353-K357 VanDerWaalsContact O-CG 3.32Å; F353-K357 WeakPolarHBondContact O-CG 3.23Å; F353-K357 PolarHBondContact O-N 2.86Å; T355-K357 VanDerWaalsContact C-N 3.29Å; T355-K357 PolarHBondContact O-N 3.32Å; K357-L359 HydrophobicContact CB-CD1 4.5Å; K357-L359 HydrophobicContact CB-CG 4.3Å; K357-L359 PolarHBondContact O-N 3.12Å
358	G	98.6	Very high	97.6	Very high	14 Å²	14	27.2 Å²	27.2	14%	0.144	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	27.4	179.6	0	0	0	0	0	115.3	M354 T355 R356 T362	M354-G358 PolarHBondContact O-N 3.29Å; T355-G358 WeakPolarHBondContact O-CA 3.27Å; T355-G358 PolarHBondContact O-N 3.21Å; R356-G358 VanDerWaalsContact C-N 3.28Å; R356-G358 PolarHBondContact O-N 2.88Å; G358-T362 WeakPolarHBondContact O-CG2 3.44Å
359	L	98.8	Very high	96.9	Very high	61 Å²	61	27.5 Å²	27.5	32%	0.319	15%	0.151	S	C	.	.	S	Bend	trans	-80	-22.7	173.6	-64.3	174.7	0	0	0	112.6	L313 M354 K357	L313-L359 HydrophobicContact CD2-CB 4.44Å; M354-L359 HydrophobicContact CB-CB 4.35Å; M354-L359 HydrophobicContact CG-CD1 4.27Å; M354-L359 PolarHBondContact O-N 3.02Å; K357-L359 HydrophobicContact CB-CD1 4.5Å; K357-L359 HydrophobicContact CB-CG 4.3Å; K357-L359 PolarHBondContact O-N 3.12Å
360	I	98.9	Very high	96.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-141.7	173.5	178	64.3	174.4	0	0	0	109.3	I312 L313 W316 L324 L351 M354 T362	I312-I360 HydrophobicContact CG2-CD1 3.6Å; I312-I360 HydrophobicContact CG2-CG2 4.03Å; L313-I360 HydrophobicContact CD2-CG2 4.19Å; W316-I360 HydrophobicContact CB-CB 4.07Å; W316-I360 HydrophobicContact CB-CG2 3.57Å; W316-I360 HydrophobicContact CD2-CB 3.97Å; W316-I360 HydrophobicContact CD2-CG2 4.35Å; W316-I360 HydrophobicContact CE3-CB 4.39Å; W316-I360 HydrophobicContact CG-CB 3.79Å; W316-I360 HydrophobicContact CG-CG2 3.64Å; L324-I360 HydrophobicContact CD2-CD1 4.44Å; L351-I360 HydrophobicContact CD1-CD1 3.44Å; L351-I360 VanDerWaalsContact CD1-CD1 3.44Å; L351-I360 HydrophobicContact CG-CD1 4.15Å; M354-I360 HydrophobicContact CB-CD1 3.98Å; M354-I360 HydrophobicContact CB-CG1 4.03Å; M354-I360 HydrophobicContact CE-CG2 4.08Å; I360-T362 PolarHBondContact O-N 3.4Å; I360-T362 VanDerWaalsContact O-N 3.12Å
361	N	98.8	Very high	96.1	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.011	20%	0.203	C	C	.	.	S	Bend	trans	53.8	35.9	173.6	-62.8	-30.7	0	0	0	112.9	W316 L324 T355 L365 L373	W316-N361 VanDerWaalsContact CZ3-N 3.33Å; L324-N361 WeakPolarHBondContact CB-OD1 3.23Å; L324-N361 PolarHBondContact N-OD1 3.3Å; L324-N361 PolarHBondContact O-ND2 2.98Å; T355-N361 HydrophobicContact CG2-CB 3.97Å; T355-N361 PolarHBondContact OG1-ND2 3.04Å; N361-L365 HydrophobicContact CB-CD2 4.25Å; N361-L373 HydrophobicContact CB-CD1 3.81Å; N361-L373 HydrophobicContact CB-CD2 4.09Å; N361-L373 WeakPolarHBondContact O-CD1 3.45Å
362	T	98.8	Very high	96.1	Very high	7 Å²	7	40.2 Å²	40.2	4%	0.043	22%	0.217	C	C	.	.			trans	-129.5	-177.5	-168.6	-163	0	0	0	0	111	W316 G358 I360 Q398 L447 Q451 Y807	W316-T362 HydrophobicContact CZ2-CG2 4.26Å; G358-T362 WeakPolarHBondContact O-CG2 3.44Å; I360-T362 PolarHBondContact O-N 3.4Å; I360-T362 VanDerWaalsContact O-N 3.12Å; T362-Q398 PolarHBondContact OG1-OE1 3.27Å; T362-L447 HydrophobicContact CG2-CD2 3.91Å; T362-Q451 PolarHBondContact O-NE2 2.89Å; T362-Y807 PolarHBondContact OG1-OH 3.48Å
363	G	98.5	Very high	96.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	-141.6	-173.6	0	0	0	0	0	111.7	L365 M448 L584 Y807	G363-L365 PolarHBondContact O-N 2.82Å; G363-M448 VanDerWaalsContact CA-CG 3.5Å; G363-L584 WeakPolarHBondContact O-CD2 3.23Å; G363-Y807 VanDerWaalsContact CA-OH 3.31Å; G363-Y807 WeakPolarHBondContact CA-OH 3.38Å; G363-Y807 PolarHBondContact N-OH 2.91Å
364	I	98.1	Very high	96.1	Very high	22 Å²	22	39 Å²	39	11%	0.113	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	4.7	178.6	61.5	92	0	0	0	113.5	S366 M448 Q451 L452 V580 T583 L584	I364-S366 PolarHBondContact O-N 3.18Å; I364-M448 HydrophobicContact CG2-CB 4.09Å; I364-M448 HydrophobicContact CG2-CG 3.91Å; I364-M448 HydrophobicContact CG2-SD 3.75Å; I364-Q451 HydrophobicContact CD1-CB 3.73Å; I364-Q451 HydrophobicContact CG1-CB 3.69Å; I364-L452 HydrophobicContact CD1-CD2 3.9Å; I364-L452 HydrophobicContact CD1-CG 3.89Å; I364-L452 HydrophobicContact CG1-CD1 4.26Å; I364-L452 HydrophobicContact CG1-CD2 4.35Å; I364-L452 HydrophobicContact CG1-CG 3.91Å; I364-L452 HydrophobicContact CG2-CD1 4.4Å; I364-V580 HydrophobicContact CG2-CG1 4.08Å; I364-T583 HydrophobicContact CB-CG2 3.87Å; I364-T583 HydrophobicContact CD1-CG2 4.23Å; I364-T583 HydrophobicContact CG1-CG2 4.46Å; I364-T583 HydrophobicContact CG2-CG2 4.21Å; I364-L584 HydrophobicContact CG2-CD2 4.1Å; I364-L584 HydrophobicContact CG2-CG 4.12Å
365	L	97.7	Very high	96	Very high	13 Å²	13	40.6 Å²	40.6	7%	0.068	22%	0.224	C	C	.	.			trans	-54.1	125.9	175.6	-177.6	69.4	0	0	0	110.1	W316 A323 N361 G363 N401	W316-L365 HydrophobicContact CH2-CD2 4.14Å; W316-L365 HydrophobicContact CZ3-CD2 4.16Å; A323-L365 HydrophobicContact CB-CD2 4.29Å; N361-L365 HydrophobicContact CB-CD2 4.25Å; G363-L365 PolarHBondContact O-N 2.82Å; L365-N401 PolarHBondContact O-ND2 2.77Å
366	S	94.8	Very high	95.8	Very high	70 Å²	70	49.2 Å²	49.2	49%	0.49	26%	0.262	S	S	.	.			trans	-114.4	149.3	174.3	-170	0	0	0	0	109.6	I364 R397	I364-S366 PolarHBondContact O-N 3.18Å; S366-R397 PolarHBondContact OG-NH2 3.45Å; S366-R397 VanDerWaalsContact OG-NH2 3.13Å
367	V	94	Very high	95.7	Very high	14 Å²	14	54.7 Å²	54.7	9%	0.085	29%	0.288	C	S	.	.			trans	-129.8	149.4	179.4	-62.5	0	0	0	0	110.9	A323 Q371 Y372 L373 N401	A323-V367 HydrophobicContact CB-CG1 4.49Å; V367-Q371 HydrophobicContact CB-CB 4.4Å; V367-Q371 WeakPolarHBondContact CB-O 3.46Å; V367-Y372 HydrophobicContact CG2-CD1 4.32Å; V367-L373 HydrophobicContact CG1-CD2 3.84Å; V367-L373 HydrophobicContact CG1-CG 4.12Å; V367-N401 HydrophobicContact CG2-CB 3.91Å
368	S	88.6	Confident	95.6	Very high	65 Å²	65	53.9 Å²	53.9	46%	0.455	28%	0.284	S	S	.	.			trans	-74.3	158.6	173.5	-62.7	0	0	0	0	111.3	D370 Q371	S368-D370 VanDerWaalsContact C-N 3.25Å; S368-D370 PolarHBondContact O-N 3.42Å; S368-D370 VanDerWaalsContact O-N 3.17Å; S368-Q371 CarbonylContact O-C 3.3Å; S368-Q371 WeakPolarHBondContact O-CA 3.41Å; S368-Q371 PolarHBondContact O-N 3.04Å
369	P	82.1	Confident	95.5	Very high	85 Å²	85	55.4 Å²	55.4	55%	0.552	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-56.6	-31.5	-178.9	-28.3	36.7	0	0	0	115.3	Q371 Y372	P369-Q371 PolarHBondContact O-N 3.21Å; P369-Y372 WeakPolarHBondContact O-CD2 3.44Å; P369-Y372 WeakPolarHBondContact O-CE2 3.38Å
370	D	86.5	Confident	95.3	Very high	165 Å²	165	57.8 Å²	57.8	88%	0.882	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-80.8	5.2	175.3	-59.2	-66.9	0	0	0	113.9	S368	S368-D370 VanDerWaalsContact C-N 3.25Å; S368-D370 PolarHBondContact O-N 3.42Å; S368-D370 VanDerWaalsContact O-N 3.17Å
371	Q	93.6	Very high	95.1	Very high	126 Å²	126	59.2 Å²	59.2	59%	0.589	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-133.2	28.3	-170.9	-60.8	-174.7	-6.5	0	0	113.1	V367 S368 P369	V367-Q371 HydrophobicContact CB-CB 4.4Å; V367-Q371 WeakPolarHBondContact CB-O 3.46Å; S368-Q371 CarbonylContact O-C 3.3Å; S368-Q371 WeakPolarHBondContact O-CA 3.41Å; S368-Q371 PolarHBondContact O-N 3.04Å; P369-Q371 PolarHBondContact O-N 3.21Å
372	Y	97.8	Very high	95.1	Very high	78 Å²	78	60 Å²	60	31%	0.306	31%	0.312	S	S	.	.			trans	-55.4	140.6	173	-63.7	-50.6	0	0	0	112.1	V367 P369 L374 H379 H400 N401 G403	V367-Y372 HydrophobicContact CG2-CD1 4.32Å; P369-Y372 WeakPolarHBondContact O-CD2 3.44Å; P369-Y372 WeakPolarHBondContact O-CE2 3.38Å; Y372-L374 PolarHBondContact O-N 3.27Å; Y372-H379 AromaticContact CD2-CE1 3.72Å; Y372-H400 WeakPolarHBondContact CD1-O 3.39Å; Y372-H400 VanDerWaalsContact CE1-O 3.27Å; Y372-H400 WeakPolarHBondContact CE1-O 3.49Å; Y372-N401 CarbonylContact C-O 3.32Å; Y372-N401 WeakPolarHBondContact CA-O 3.14Å; Y372-G403 VanDerWaalsContact CD1-CA 3.44Å
373	L	98.3	Very high	95.1	Very high	17 Å²	17	59.8 Å²	59.8	9%	0.089	31%	0.31	C	S	.	.	S	Bend	trans	-79	-17.9	-167	-63.7	175.7	0	0	0	114.7	A323 Y352 T355 N361 V367 N401 F402	A323-L373 HydrophobicContact CB-CD2 3.81Å; Y352-L373 WeakPolarHBondContact CD1-O 3.09Å; T355-L373 HydrophobicContact CG2-CB 3.76Å; T355-L373 HydrophobicContact CG2-CD1 4.12Å; N361-L373 HydrophobicContact CB-CD1 3.81Å; N361-L373 HydrophobicContact CB-CD2 4.09Å; N361-L373 WeakPolarHBondContact O-CD1 3.45Å; V367-L373 HydrophobicContact CG1-CD2 3.84Å; V367-L373 HydrophobicContact CG1-CG 4.12Å; L373-N401 HydrophobicContact CD1-CB 3.62Å; L373-N401 HydrophobicContact CG-CB 4.16Å; L373-N401 PolarHBondContact N-O 2.82Å; L373-F402 HydrophobicContact CB-CD1 4.36Å; L373-F402 HydrophobicContact CD1-CD1 4.49Å
374	L	98.3	Very high	95.1	Very high	5 Å²	5	59.8 Å²	59.8	3%	0.026	31%	0.31	C	S	.	.	S	Bend	trans	-116.5	153	176.3	-62.8	-173.2	0	0	0	110.6	Y352 T355 R356 Y372 Y378 H379 F402 A818	Y352-L374 HydrophobicContact CD1-CD2 4.25Å; Y352-L374 HydrophobicContact CG-CD2 4.49Å; Y352-L374 WeakPolarHBondContact O-CD2 3.47Å; T355-L374 HydrophobicContact CG2-CD2 3.95Å; R356-L374 HydrophobicContact CB-CD1 4.12Å; R356-L374 HydrophobicContact CB-CD2 4.3Å; R356-L374 HydrophobicContact CG-CD1 4.04Å; Y372-L374 PolarHBondContact O-N 3.27Å; L374-Y378 HydrophobicContact CB-CD2 3.76Å; L374-Y378 HydrophobicContact CB-CE2 4.48Å; L374-Y378 HydrophobicContact CB-CG 4.13Å; L374-Y378 HydrophobicContact CD1-CD1 4.38Å; L374-Y378 HydrophobicContact CD1-CD2 4.25Å; L374-Y378 HydrophobicContact CD1-CG 4.07Å; L374-H379 PolarHBondContact O-NE2 3.17Å; L374-F402 HydrophobicContact CB-CB 4.4Å; L374-F402 HydrophobicContact CD1-CB 3.85Å; L374-F402 HydrophobicContact CD1-CD1 3.94Å; L374-F402 HydrophobicContact CD1-CD2 3.77Å; L374-F402 HydrophobicContact CD1-CE1 4.45Å; L374-F402 HydrophobicContact CD1-CE2 4.3Å; L374-F402 HydrophobicContact CD1-CG 3.58Å; L374-F402 HydrophobicContact CG-CB 4.06Å; L374-F402 HydrophobicContact CG-CD1 3.84Å; L374-F402 HydrophobicContact CG-CE1 4.47Å; L374-F402 HydrophobicContact CG-CG 3.9Å; L374-A818 HydrophobicContact CD1-CB 4.48Å
375	P	96.9	Very high	95.2	Very high	34 Å²	34	58.7 Å²	58.7	22%	0.221	31%	0.305	C	S	.	.			trans	-58.1	161	176.1	-25.8	34.3	0	0	0	114.6	Y352 E377 Y378 H379	Y352-P375 HydrophobicContact CD1-CG 4.43Å; Y352-P375 HydrophobicContact CD2-CG 3.64Å; Y352-P375 HydrophobicContact CE1-CG 4.29Å; Y352-P375 HydrophobicContact CE2-CG 3.44Å; Y352-P375 VanDerWaalsContact CE2-CG 3.44Å; Y352-P375 HydrophobicContact CG-CG 4.17Å; P375-E377 HydrophobicContact CB-CG 4.17Å; P375-E377 WeakPolarHBondContact CB-OE1 3.38Å; P375-E377 PolarHBondContact O-N 3.39Å; P375-Y378 HydrophobicContact CB-CD2 4.42Å; P375-Y378 HydrophobicContact CG-CE2 4.47Å; P375-Y378 WeakPolarHBondContact O-CD2 3.27Å; P375-Y378 PolarHBondContact O-N 2.9Å; P375-H379 PolarHBondContact O-CD2 2.85Å; P375-H379 PolarHBondContact O-NE2 3.4Å
376	K	96.3	Very high	95.2	Very high	181 Å²	181	58.4 Å²	58.4	79%	0.787	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-61.1	-18.9	-175.1	-65.5	-170.3	175.1	-173	0	115.1	Y378 H379	K376-Y378 PolarHBondContact O-N 2.81Å; K376-H379 PolarHBondContact O-N 3.37Å
377	E	95.6	Very high	95.4	Very high	129 Å²	129	55.5 Å²	55.5	60%	0.603	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-61.1	-24.8	173.4	69.3	-153.3	156.1	0	0	113.2	P375 N380	P375-E377 HydrophobicContact CB-CG 4.17Å; P375-E377 WeakPolarHBondContact CB-OE1 3.38Å; P375-E377 PolarHBondContact O-N 3.39Å; E377-N380 PolarHBondContact O-OD1 2.91Å
378	Y	96.5	Very high	95.7	Very high	44 Å²	44	54.8 Å²	54.8	17%	0.173	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-87.3	-16.1	177.4	-64.5	-76.4	0	0	0	113.8	L374 P375 K376 N380 I404 A818	L374-Y378 HydrophobicContact CB-CD2 3.76Å; L374-Y378 HydrophobicContact CB-CE2 4.48Å; L374-Y378 HydrophobicContact CB-CG 4.13Å; L374-Y378 HydrophobicContact CD1-CD1 4.38Å; L374-Y378 HydrophobicContact CD1-CD2 4.25Å; L374-Y378 HydrophobicContact CD1-CG 4.07Å; P375-Y378 HydrophobicContact CB-CD2 4.42Å; P375-Y378 HydrophobicContact CG-CE2 4.47Å; P375-Y378 WeakPolarHBondContact O-CD2 3.27Å; P375-Y378 PolarHBondContact O-N 2.9Å; K376-Y378 PolarHBondContact O-N 2.81Å; Y378-N380 PolarHBondContact O-N 3.05Å; Y378-I404 WeakPolarHBondContact O-CG1 3.08Å; Y378-A818 WeakPolarHBondContact CD1-O 3.42Å; Y378-A818 WeakPolarHBondContact CE1-O 3.45Å
379	H	96.8	Very high	96.1	Very high	46 Å²	46	52.5 Å²	52.5	21%	0.213	27%	0.267	C	S	.	.			trans	-79.1	-15.9	-167.4	-60.5	178.9	0	0	0	114	Y372 L374 P375 K376 K381 F402 G403	Y372-H379 AromaticContact CD2-CE1 3.72Å; L374-H379 PolarHBondContact O-NE2 3.17Å; P375-H379 PolarHBondContact O-CD2 2.85Å; P375-H379 PolarHBondContact O-NE2 3.4Å; K376-H379 PolarHBondContact O-N 3.37Å; H379-K381 PolarHBondContact O-N 3.14Å; H379-F402 PolarHBondContact CD2-O 3.06Å; H379-F402 PolarHBondContact NE2-O 2.9Å; H379-F402 VanDerWaalsContact NE2-O 3.14Å; H379-G403 WeakPolarHBondContact CA-O 3.47Å; H379-G403 WeakPolarHBondContact CB-O 3.34Å
380	N	95.2	Very high	96.9	Very high	111 Å²	111	49 Å²	49	59%	0.594	25%	0.245	S	C	*	.	S	Bend	trans	-77.7	30.2	-167.8	66.8	-9.7	0	0	0	115.2	E377 Y378 Q619	E377-N380 PolarHBondContact O-OD1 2.91Å; Y378-N380 PolarHBondContact O-N 3.05Å; N380-Q619 PolarHBondContact O-NE2 3.3Å
381	K	95.2	Very high	97.5	Very high	30 Å²	30	41.4 Å²	41.4	13%	0.13	21%	0.205	C	C	.	.			trans	-130.1	151.9	-169.1	-57.6	-162.3	168.4	85.9	0	114	H379 I404 K405 Q619 F820	H379-K381 PolarHBondContact O-N 3.14Å; K381-I404 HydrophobicContact CB-CG2 4.17Å; K381-K405 WeakPolarHBondContact O-CB 3.35Å; K381-K405 PolarHBondContact O-N 3.34Å; K381-Q619 VanDerWaalsContact CA-OE1 3.31Å; K381-F820 WeakPolarHBondContact CE-O 3.36Å; K381-F820 WeakPolarHBondContact CE-OXT 3.17Å; K381-F820 PolarHBondContact NZ-O 3.11Å; K381-F820 PolarHBondContact NZ-OXT 2.88Å
382	S	98.1	Very high	97.8	Very high	18 Å²	18	35.4 Å²	35.4	13%	0.126	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	136.3	176.9	58.7	0	0	0	0	111.5	K405 A618 Q619 K620	S382-K405 CarbonylContact C-O 3.59Å; S382-K405 WeakPolarHBondContact CA-O 3.4Å; S382-A618 WeakPolarHBondContact OG-CA 3.44Å; S382-Q619 PolarHBondContact O-N 3.48Å; S382-Q619 WeakPolarHBondContact OG-CG 3.46Å; S382-Q619 PolarHBondContact OG-N 2.77Å; S382-K620 PolarHBondContact O-N 2.63Å
383	V	98.8	Very high	97.8	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.012	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	127	-175.1	-168.2	0	0	0	0	110.9	I385 L399 I404 K405 V406 V407 K620 I817	V383-I385 HydrophobicContact CG1-CG1 4.13Å; V383-L399 HydrophobicContact CB-CD1 4.43Å; V383-L399 HydrophobicContact CG1-CD1 4.13Å; V383-L399 HydrophobicContact CG2-CD1 4.26Å; V383-I404 HydrophobicContact CG2-CG2 3.63Å; V383-K405 PolarHBondContact N-O 3.03Å; V383-V406 WeakPolarHBondContact O-CA 3.48Å; V383-V407 PolarHBondContact O-N 3.32Å; V383-K620 WeakPolarHBondContact CA-O 3.43Å; V383-K620 HydrophobicContact CG1-CB 4.41Å; V383-K620 HydrophobicContact CG2-CB 4.32Å; V383-I817 HydrophobicContact CG1-CD1 4.35Å; V383-I817 HydrophobicContact CG1-CG2 4.49Å; V383-I817 HydrophobicContact CG2-CG2 3.65Å
384	I	98.9	Very high	97.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	133.3	164.8	-67.9	159.8	0	0	0	108.8	V386 V407 L409 V608 W616 A618 K620 V621 L622	I384-V386 HydrophobicContact CG2-CG2 4.39Å; I384-V407 CarbonylContact C-O 3.51Å; I384-V407 WeakPolarHBondContact CA-O 3.22Å; I384-V407 HydrophobicContact CB-CG1 4.44Å; I384-V407 HydrophobicContact CG1-CG1 3.73Å; I384-L409 HydrophobicContact CG2-CD1 3.91Å; I384-L409 HydrophobicContact CG2-CG 4.13Å; I384-V608 HydrophobicContact CB-CG2 4.4Å; I384-V608 HydrophobicContact CD1-CB 4.06Å; I384-V608 HydrophobicContact CD1-CG2 3.73Å; I384-V608 HydrophobicContact CG2-CB 4.46Å; I384-V608 HydrophobicContact CG2-CG1 4.39Å; I384-V608 HydrophobicContact CG2-CG2 4.11Å; I384-W616 HydrophobicContact CD1-CB 3.72Å; I384-A618 HydrophobicContact CB-CB 4.44Å; I384-A618 HydrophobicContact CD1-CB 3.75Å; I384-A618 HydrophobicContact CG1-CB 3.72Å; I384-K620 PolarHBondContact N-O 2.84Å; I384-V621 HydrophobicContact CB-CG2 4.23Å; I384-V621 HydrophobicContact CG2-CG2 4.22Å; I384-V621 CarbonylContact O-C 3.57Å; I384-V621 VanDerWaalsContact O-CA 3.27Å; I384-V621 WeakPolarHBondContact O-CA 3.4Å; I384-V621 WeakPolarHBondContact O-CG2 3.38Å; I384-L622 PolarHBondContact O-N 3.28Å
385	I	98.9	Very high	97.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.7	175.5	-57.3	178.7	0	0	0	108.6	V383 A395 A396 L399 V406 V407 V408 L409 L622 T624	V383-I385 HydrophobicContact CG1-CG1 4.13Å; I385-A395 HydrophobicContact CD1-CB 4.17Å; I385-A396 HydrophobicContact CD1-CB 3.67Å; I385-L399 HydrophobicContact CD1-CD1 4.32Å; I385-V406 HydrophobicContact CD1-CG1 3.55Å; I385-V406 HydrophobicContact CG1-CG1 4.1Å; I385-V407 PolarHBondContact N-O 2.97Å; I385-V408 HydrophobicContact CB-CG1 4.32Å; I385-V408 HydrophobicContact CB-CG2 4.27Å; I385-V408 HydrophobicContact CG2-CG1 4.32Å; I385-V408 CarbonylContact O-C 3.3Å; I385-V408 WeakPolarHBondContact O-CA 3.27Å; I385-L409 PolarHBondContact O-N 3.27Å; I385-L622 CarbonylContact C-O 3.49Å; I385-L622 WeakPolarHBondContact CA-O 3.46Å; I385-L622 HydrophobicContact CD1-CD2 4.46Å; I385-L622 HydrophobicContact CG1-CB 4.24Å; I385-L622 HydrophobicContact CG1-CD2 4.38Å; I385-L622 HydrophobicContact CG2-CD2 4.33Å; I385-L622 HydrophobicContact CG2-CG 4.4Å; I385-T624 HydrophobicContact CG2-CG2 4.2Å
386	V	98.9	Very high	98	Very high	6 Å²	6	29 Å²	29	4%	0.036	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	114.5	-179.2	-170.6	0	0	0	0	109.6	I384 V596 I599 V621 L622 T624 V625 I635	I384-V386 HydrophobicContact CG2-CG2 4.39Å; V386-V596 HydrophobicContact CB-CG2 4.47Å; V386-V596 HydrophobicContact CG1-CB 3.9Å; V386-V596 HydrophobicContact CG1-CG2 3.68Å; V386-V596 HydrophobicContact CG2-CG2 4Å; V386-I599 HydrophobicContact CG2-CD1 4.38Å; V386-V621 HydrophobicContact CG2-CG2 4.05Å; V386-L622 PolarHBondContact N-O 3.38Å; V386-T624 WeakPolarHBondContact O-CA 3.3Å; V386-T624 WeakPolarHBondContact O-CB 3.4Å; V386-T624 PolarHBondContact O-N 2.87Å; V386-T624 PolarHBondContact O-OG1 2.78Å; V386-V625 HydrophobicContact CG1-CG1 3.81Å; V386-I635 HydrophobicContact CG1-CD1 4.16Å
387	G	98.8	Very high	98.1	Very high	9 Å²	9	20.5 Å²	20.5	9%	0.093	11%	0.109	C	C	.	.			trans	96.3	130	-174.4	0	0	0	0	0	113.2	L409 T624	G387-L409 PolarHBondContact N-O 2.65Å; G387-T624 PolarHBondContact O-OG1 2.9Å
388	A	98.9	Very high	98.3	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.081	C	C	.	.			trans	-102.2	34.3	175.7	0	0	0	0	0	112.1	L393 V408 E410 I415 G416 I590	A388-L393 HydrophobicContact CB-CD2 4.23Å; A388-L393 HydrophobicContact CB-CG 4.43Å; A388-L393 VanDerWaalsContact O-CD1 3.3Å; A388-L393 WeakPolarHBondContact O-CD1 3.32Å; A388-V408 HydrophobicContact CB-CG1 3.93Å; A388-E410 HydrophobicContact CB-CB 3.82Å; A388-E410 HydrophobicContact CB-CG 4.02Å; A388-E410 PolarHBondContact N-OE2 3.34Å; A388-I415 HydrophobicContact CB-CB 4.13Å; A388-I415 HydrophobicContact CB-CG2 3.77Å; A388-G416 PolarHBondContact O-N 3.29Å; A388-I590 HydrophobicContact CB-CG2 4.27Å
389	G	98.8	Very high	98.4	Very high	17 Å²	17	12.3 Å²	12.3	18%	0.175	7%	0.073	C	C	.	.	B	Isolated β-bridge	trans	-77.3	179.1	167	0	0	0	0	0	112.4	A391 G392 L393	G389-A391 PolarHBondContact O-N 2.95Å; G389-A391 VanDerWaalsContact O-N 3.08Å; G389-G392 PolarHBondContact O-N 3.12Å; G389-G392 VanDerWaalsContact O-N 3.08Å; G389-L393 PolarHBondContact O-N 3.41Å
390	A	98.8	Very high	98.5	Very high	12 Å²	12	12.3 Å²	12.3	10%	0.099	7%	0.073	C	C	.	.	H	α-helix	trans	-52.1	-35.3	-177.5	0	0	0	0	0	114.6	A394 I581 V803 A806	A390-A394 WeakPolarHBondContact O-CB 3.28Å; A390-A394 PolarHBondContact O-N 3.11Å; A390-A394 VanDerWaalsContact O-N 3.09Å; A390-I581 HydrophobicContact CB-CD1 3.92Å; A390-V803 HydrophobicContact CB-CG1 3.85Å; A390-A806 HydrophobicContact CB-CB 4.06Å
391	A	98.9	Very high	98.6	Very high	4 Å²	4	7 Å²	7	3%	0.033	4%	0.044	C	C	.	.	H	α-helix	trans	-71	-48.9	176.1	0	0	0	0	0	112.8	G389 A394 A395 T624 A791 A806 G810	G389-A391 PolarHBondContact O-N 2.95Å; G389-A391 VanDerWaalsContact O-N 3.08Å; A391-A394 PolarHBondContact O-N 3.49Å; A391-A395 PolarHBondContact O-N 3.36Å; A391-T624 HydrophobicContact CB-CG2 4.38Å; A391-A791 HydrophobicContact CB-CB 4.05Å; A391-A806 VanDerWaalsContact CA-O 3.29Å; A391-A806 WeakPolarHBondContact CA-O 3.24Å; A391-A806 HydrophobicContact CB-CB 4.16Å; A391-A806 VanDerWaalsContact CB-O 3.27Å; A391-A806 WeakPolarHBondContact CB-O 3.13Å; A391-G810 VanDerWaalsContact O-CA 3.32Å; A391-G810 WeakPolarHBondContact O-CA 3.38Å
392	G	98.9	Very high	98.8	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-63.3	-43.6	178.9	0	0	0	0	0	112.3	G389 A395 A396	G389-G392 PolarHBondContact O-N 3.12Å; G389-G392 VanDerWaalsContact O-N 3.08Å; G392-A395 PolarHBondContact O-N 3.22Å; G392-A396 VanDerWaalsContact O-CB 3.23Å; G392-A396 WeakPolarHBondContact O-CB 3.48Å; G392-A396 PolarHBondContact O-N 3.02Å
393	L	98.9	Very high	98.8	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-68.9	-36.7	177.4	-66.6	176.8	0	0	0	113	A388 G389 A396 R397 I415 I581 L584 A585 I590	A388-L393 HydrophobicContact CB-CD2 4.23Å; A388-L393 HydrophobicContact CB-CG 4.43Å; A388-L393 VanDerWaalsContact O-CD1 3.3Å; A388-L393 WeakPolarHBondContact O-CD1 3.32Å; G389-L393 PolarHBondContact O-N 3.41Å; L393-A396 PolarHBondContact O-N 3.04Å; L393-R397 VanDerWaalsContact O-CB 3.25Å; L393-R397 WeakPolarHBondContact O-CB 3.27Å; L393-R397 PolarHBondContact O-N 3.02Å; L393-I415 HydrophobicContact CD1-CB 4.48Å; L393-I415 HydrophobicContact CD1-CD1 4.49Å; L393-I581 HydrophobicContact CD1-CD1 4.19Å; L393-I581 HydrophobicContact CD1-CG2 3.77Å; L393-L584 HydrophobicContact CB-CB 4.17Å; L393-A585 HydrophobicContact CD1-CB 4.3Å; L393-A585 HydrophobicContact CD2-CB 3.98Å; L393-I590 HydrophobicContact CD2-CD1 3.77Å
394	A	98.9	Very high	98.8	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-62.5	-45.5	173.2	0	0	0	0	0	111.6	A390 A391 Q398 Y807 V811	A390-A394 WeakPolarHBondContact O-CB 3.28Å; A390-A394 PolarHBondContact O-N 3.11Å; A390-A394 VanDerWaalsContact O-N 3.09Å; A391-A394 PolarHBondContact O-N 3.49Å; A394-Q398 VanDerWaalsContact O-CG 3.28Å; A394-Q398 WeakPolarHBondContact O-CG 3.42Å; A394-Q398 PolarHBondContact O-N 3.4Å; A394-Q398 VanDerWaalsContact O-N 3.14Å; A394-Y807 HydrophobicContact CB-CD2 3.46Å; A394-Y807 VanDerWaalsContact CB-CD2 3.46Å; A394-Y807 HydrophobicContact CB-CE2 3.75Å; A394-Y807 HydrophobicContact CB-CG 3.98Å; A394-Y807 WeakPolarHBondContact CB-O 3.29Å; A394-V811 HydrophobicContact CB-CG2 4.44Å
395	A	98.9	Very high	98.8	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.3	-44.4	175.3	0	0	0	0	0	111.9	I385 A391 G392 Q398 L399 L622 G810 A814	I385-A395 HydrophobicContact CD1-CB 4.17Å; A391-A395 PolarHBondContact O-N 3.36Å; G392-A395 PolarHBondContact O-N 3.22Å; A395-Q398 PolarHBondContact O-N 2.65Å; A395-L399 WeakPolarHBondContact O-CB 3.42Å; A395-L399 WeakPolarHBondContact O-CG 3.38Å; A395-L399 PolarHBondContact O-N 2.84Å; A395-L622 HydrophobicContact CB-CD2 3.28Å; A395-G810 WeakPolarHBondContact CB-O 3.42Å; A395-A814 HydrophobicContact CB-CB 4.48Å
396	A	98.9	Very high	98.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-63	-46.1	-179.6	0	0	0	0	0	112.2	I385 G392 L393 Q398 H400 V406 V408 L588	I385-A396 HydrophobicContact CD1-CB 3.67Å; G392-A396 VanDerWaalsContact O-CB 3.23Å; G392-A396 WeakPolarHBondContact O-CB 3.48Å; G392-A396 PolarHBondContact O-N 3.02Å; L393-A396 PolarHBondContact O-N 3.04Å; A396-Q398 PolarHBondContact O-N 3.38Å; A396-H400 WeakPolarHBondContact O-CB 3.47Å; A396-H400 PolarHBondContact O-N 3.49Å; A396-V406 HydrophobicContact CB-CG1 4Å; A396-V408 HydrophobicContact CB-CG2 3.77Å; A396-L588 HydrophobicContact CB-CD1 3.65Å
397	R	98.9	Very high	98.7	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.008	8%	0.08	C	C	.	.	H	α-helix	trans	-58.8	-45.1	175.5	-179.8	77.7	-81.8	156.3	-14.7	111.7	S366 L393 H400 N401 L584 E586	S366-R397 PolarHBondContact OG-NH2 3.45Å; S366-R397 VanDerWaalsContact OG-NH2 3.13Å; L393-R397 VanDerWaalsContact O-CB 3.25Å; L393-R397 WeakPolarHBondContact O-CB 3.27Å; L393-R397 PolarHBondContact O-N 3.02Å; R397-H400 PolarHBondContact NH2-ND1 3.35Å; R397-N401 PolarHBondContact NE-OD1 2.92Å; R397-N401 VanDerWaalsContact NE-OD1 3.08Å; R397-N401 PolarHBondContact NH2-OD1 3.49Å; R397-N401 VanDerWaalsContact O-CB 3.3Å; R397-N401 WeakPolarHBondContact O-CB 3.26Å; R397-N401 PolarHBondContact O-N 3.45Å; R397-N401 PolarHBondContact O-ND2 3.12Å; R397-N401 PolarHBondContact O-OD1 2.8Å; R397-L584 HydrophobicContact CB-CD2 4.08Å; R397-L584 HydrophobicContact CG-CD2 3.84Å; R397-L584 PolarHBondContact NH1-O 2.86Å; R397-E586 PolarHBondContact NH1-O 3.23Å
398	Q	98.9	Very high	98.8	Very high	1 Å²	1	14 Å²	14	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-66.7	-53.3	178.5	-67.3	-72.2	-107.6	0	0	111.6	T362 A394 A395 A396 H400 N401 F402 V811 A814	T362-Q398 PolarHBondContact OG1-OE1 3.27Å; A394-Q398 VanDerWaalsContact O-CG 3.28Å; A394-Q398 WeakPolarHBondContact O-CG 3.42Å; A394-Q398 PolarHBondContact O-N 3.4Å; A394-Q398 VanDerWaalsContact O-N 3.14Å; A395-Q398 PolarHBondContact O-N 2.65Å; A396-Q398 PolarHBondContact O-N 3.38Å; Q398-H400 PolarHBondContact O-N 2.72Å; Q398-N401 CarbonylContact O-C 3.37Å; Q398-N401 PolarHBondContact O-N 2.83Å; Q398-N401 VanDerWaalsContact O-N 3.12Å; Q398-F402 HydrophobicContact CB-CE2 4.26Å; Q398-F402 HydrophobicContact CB-CZ 4.06Å; Q398-F402 VanDerWaalsContact O-CD1 3.24Å; Q398-F402 WeakPolarHBondContact O-CD1 3.38Å; Q398-F402 WeakPolarHBondContact O-CG 3.49Å; Q398-F402 PolarHBondContact O-N 2.92Å; Q398-V811 HydrophobicContact CG-CG2 4.16Å; Q398-A814 HydrophobicContact CB-CB 3.79Å
399	L	98.8	Very high	98.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.8	-42.1	-179.5	-70.4	169	0	0	0	112.4	V383 I385 A395 F402 G403 I404 V406 A814 I817 A818	V383-L399 HydrophobicContact CB-CD1 4.43Å; V383-L399 HydrophobicContact CG1-CD1 4.13Å; V383-L399 HydrophobicContact CG2-CD1 4.26Å; I385-L399 HydrophobicContact CD1-CD1 4.32Å; A395-L399 WeakPolarHBondContact O-CB 3.42Å; A395-L399 WeakPolarHBondContact O-CG 3.38Å; A395-L399 PolarHBondContact O-N 2.84Å; L399-F402 HydrophobicContact CD2-CD2 4.44Å; L399-F402 WeakPolarHBondContact O-CB 3.25Å; L399-F402 PolarHBondContact O-N 3.47Å; L399-G403 PolarHBondContact O-N 2.79Å; L399-I404 HydrophobicContact CB-CB 4.34Å; L399-I404 HydrophobicContact CB-CG2 4.46Å; L399-I404 HydrophobicContact CD2-CB 4.47Å; L399-I404 HydrophobicContact CD2-CD1 3.66Å; L399-I404 HydrophobicContact CD2-CG2 4.4Å; L399-I404 WeakPolarHBondContact O-CB 3.43Å; L399-I404 PolarHBondContact O-N 3.1Å; L399-V406 HydrophobicContact CB-CG2 3.47Å; L399-V406 VanDerWaalsContact CB-CG2 3.47Å; L399-V406 HydrophobicContact CD1-CG2 4.35Å; L399-A814 HydrophobicContact CD1-CB 4.44Å; L399-A814 HydrophobicContact CD2-CB 4.14Å; L399-A814 HydrophobicContact CG-CB 3.84Å; L399-I817 HydrophobicContact CD1-CD1 4.25Å; L399-I817 HydrophobicContact CD1-CG2 4.23Å; L399-I817 HydrophobicContact CD2-CB 4.12Å; L399-I817 HydrophobicContact CD2-CG2 3.8Å; L399-A818 HydrophobicContact CD2-CB 4.36Å
400	H	98.6	Very high	98.8	Very high	46 Å²	46	14 Å²	14	21%	0.213	7%	0.071	C	C	.	.	H	α-helix	trans	-59.6	-48.2	172.4	174.5	-78.3	0	0	0	111.4	Y372 A396 R397 Q398 F402 G403 L588	Y372-H400 WeakPolarHBondContact CD1-O 3.39Å; Y372-H400 VanDerWaalsContact CE1-O 3.27Å; Y372-H400 WeakPolarHBondContact CE1-O 3.49Å; A396-H400 WeakPolarHBondContact O-CB 3.47Å; A396-H400 PolarHBondContact O-N 3.49Å; R397-H400 PolarHBondContact NH2-ND1 3.35Å; Q398-H400 PolarHBondContact O-N 2.72Å; H400-F402 PolarHBondContact O-N 3.28Å; H400-G403 PolarHBondContact O-N 2.93Å; H400-L588 HydrophobicContact CB-CD2 3.61Å
401	N	98.6	Very high	98.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.3	-25.5	178.6	-67.7	-3.8	0	0	0	112.8	L365 V367 Y372 L373 R397 Q398 G403	L365-N401 PolarHBondContact O-ND2 2.77Å; V367-N401 HydrophobicContact CG2-CB 3.91Å; Y372-N401 CarbonylContact C-O 3.32Å; Y372-N401 WeakPolarHBondContact CA-O 3.14Å; L373-N401 HydrophobicContact CD1-CB 3.62Å; L373-N401 HydrophobicContact CG-CB 4.16Å; L373-N401 PolarHBondContact N-O 2.82Å; R397-N401 PolarHBondContact NE-OD1 2.92Å; R397-N401 VanDerWaalsContact NE-OD1 3.08Å; R397-N401 PolarHBondContact NH2-OD1 3.49Å; R397-N401 VanDerWaalsContact O-CB 3.3Å; R397-N401 WeakPolarHBondContact O-CB 3.26Å; R397-N401 PolarHBondContact O-N 3.45Å; R397-N401 PolarHBondContact O-ND2 3.12Å; R397-N401 PolarHBondContact O-OD1 2.8Å; Q398-N401 CarbonylContact O-C 3.37Å; Q398-N401 PolarHBondContact O-N 2.83Å; Q398-N401 VanDerWaalsContact O-N 3.12Å; N401-G403 VanDerWaalsContact C-N 3.26Å
402	F	98.7	Very high	98.7	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-10.5	173.4	-62	-12.4	0	0	0	113.3	T355 L373 L374 H379 Q398 L399 H400 I404 A818	T355-F402 HydrophobicContact CG2-CD1 4.39Å; T355-F402 HydrophobicContact CG2-CE1 3.89Å; T355-F402 WeakPolarHBondContact O-CZ 3.49Å; L373-F402 HydrophobicContact CB-CD1 4.36Å; L373-F402 HydrophobicContact CD1-CD1 4.49Å; L374-F402 HydrophobicContact CB-CB 4.4Å; L374-F402 HydrophobicContact CD1-CB 3.85Å; L374-F402 HydrophobicContact CD1-CD1 3.94Å; L374-F402 HydrophobicContact CD1-CD2 3.77Å; L374-F402 HydrophobicContact CD1-CE1 4.45Å; L374-F402 HydrophobicContact CD1-CE2 4.3Å; L374-F402 HydrophobicContact CD1-CG 3.58Å; L374-F402 HydrophobicContact CG-CB 4.06Å; L374-F402 HydrophobicContact CG-CD1 3.84Å; L374-F402 HydrophobicContact CG-CE1 4.47Å; L374-F402 HydrophobicContact CG-CG 3.9Å; H379-F402 PolarHBondContact CD2-O 3.06Å; H379-F402 PolarHBondContact NE2-O 2.9Å; H379-F402 VanDerWaalsContact NE2-O 3.14Å; Q398-F402 HydrophobicContact CB-CE2 4.26Å; Q398-F402 HydrophobicContact CB-CZ 4.06Å; Q398-F402 VanDerWaalsContact O-CD1 3.24Å; Q398-F402 WeakPolarHBondContact O-CD1 3.38Å; Q398-F402 WeakPolarHBondContact O-CG 3.49Å; Q398-F402 PolarHBondContact O-N 2.92Å; L399-F402 HydrophobicContact CD2-CD2 4.44Å; L399-F402 WeakPolarHBondContact O-CB 3.25Å; L399-F402 PolarHBondContact O-N 3.47Å; H400-F402 PolarHBondContact O-N 3.28Å; F402-I404 HydrophobicContact CB-CD1 4.4Å; F402-A818 HydrophobicContact CD2-CB 3.79Å; F402-A818 HydrophobicContact CE2-CB 4.17Å
403	G	98.1	Very high	98.7	Very high	11 Å²	11	20.5 Å²	20.5	11%	0.113	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	14.1	-177.1	0	0	0	0	0	114.8	Y372 H379 L399 H400 N401	Y372-G403 VanDerWaalsContact CD1-CA 3.44Å; H379-G403 WeakPolarHBondContact CA-O 3.47Å; H379-G403 WeakPolarHBondContact CB-O 3.34Å; L399-G403 PolarHBondContact O-N 2.79Å; H400-G403 PolarHBondContact O-N 2.93Å; N401-G403 VanDerWaalsContact C-N 3.26Å
404	I	98.4	Very high	98.7	Very high	6 Å²	6	22.5 Å²	22.5	3%	0.031	11%	0.113	C	C	.	.			trans	-88.1	141.3	178	-69.1	165.2	0	0	0	109.9	Y378 K381 V383 L399 F402 V406 A818	Y378-I404 WeakPolarHBondContact O-CG1 3.08Å; K381-I404 HydrophobicContact CB-CG2 4.17Å; V383-I404 HydrophobicContact CG2-CG2 3.63Å; L399-I404 HydrophobicContact CB-CB 4.34Å; L399-I404 HydrophobicContact CB-CG2 4.46Å; L399-I404 HydrophobicContact CD2-CB 4.47Å; L399-I404 HydrophobicContact CD2-CD1 3.66Å; L399-I404 HydrophobicContact CD2-CG2 4.4Å; L399-I404 WeakPolarHBondContact O-CB 3.43Å; L399-I404 PolarHBondContact O-N 3.1Å; F402-I404 HydrophobicContact CB-CD1 4.4Å; I404-V406 PolarHBondContact O-N 3.04Å; I404-A818 HydrophobicContact CD1-CB 3.69Å
405	K	98.3	Very high	98.7	Very high	158 Å²	158	24.1 Å²	24.1	69%	0.687	12%	0.122	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	117.9	177.2	-176.7	-171.3	176.1	-169.3	0	110.3	K381 S382 V383	K381-K405 WeakPolarHBondContact O-CB 3.35Å; K381-K405 PolarHBondContact O-N 3.34Å; S382-K405 CarbonylContact C-O 3.59Å; S382-K405 WeakPolarHBondContact CA-O 3.4Å; V383-K405 PolarHBondContact N-O 3.03Å
406	V	98.6	Very high	98.7	Very high	20 Å²	20	24.3 Å²	24.3	12%	0.121	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	141.7	-180	-179.6	0	0	0	0	110.8	V383 I385 A396 L399 I404 V408	V383-V406 WeakPolarHBondContact O-CA 3.48Å; I385-V406 HydrophobicContact CD1-CG1 3.55Å; I385-V406 HydrophobicContact CG1-CG1 4.1Å; A396-V406 HydrophobicContact CB-CG1 4Å; L399-V406 HydrophobicContact CB-CG2 3.47Å; L399-V406 VanDerWaalsContact CB-CG2 3.47Å; L399-V406 HydrophobicContact CD1-CG2 4.35Å; I404-V406 PolarHBondContact O-N 3.04Å; V406-V408 HydrophobicContact CG1-CG2 4.21Å
407	V	98.8	Very high	98.6	Very high	18 Å²	18	24.5 Å²	24.5	11%	0.109	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	139.7	158	63.4	0	0	0	0	109.7	V383 I384 I385 L409 D589 R591 W616	V383-V407 PolarHBondContact O-N 3.32Å; I384-V407 CarbonylContact C-O 3.51Å; I384-V407 WeakPolarHBondContact CA-O 3.22Å; I384-V407 HydrophobicContact CB-CG1 4.44Å; I384-V407 HydrophobicContact CG1-CG1 3.73Å; I385-V407 PolarHBondContact N-O 2.97Å; V407-L409 HydrophobicContact CG2-CD2 4.32Å; V407-D589 HydrophobicContact CG2-CB 4.41Å; V407-R591 HydrophobicContact CG2-CG 4.07Å; V407-W616 HydrophobicContact CG1-CE3 4.32Å; V407-W616 HydrophobicContact CG2-CE3 4.47Å; V407-W616 HydrophobicContact CG2-CZ3 4.01Å
408	V	98.9	Very high	98.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126.7	178.2	-168.7	0	0	0	0	109.6	I385 A388 A396 V406 D589 I590 R591	I385-V408 HydrophobicContact CB-CG1 4.32Å; I385-V408 HydrophobicContact CB-CG2 4.27Å; I385-V408 HydrophobicContact CG2-CG1 4.32Å; I385-V408 CarbonylContact O-C 3.3Å; I385-V408 WeakPolarHBondContact O-CA 3.27Å; A388-V408 HydrophobicContact CB-CG1 3.93Å; A396-V408 HydrophobicContact CB-CG2 3.77Å; V406-V408 HydrophobicContact CG1-CG2 4.21Å; V408-D589 PolarHBondContact N-O 3.42Å; V408-I590 HydrophobicContact CB-CB 4.46Å; V408-I590 HydrophobicContact CB-CG1 4.09Å; V408-I590 HydrophobicContact CB-CG2 4.35Å; V408-I590 HydrophobicContact CG2-CG1 4.18Å; V408-I590 WeakPolarHBondContact O-CA 3.47Å; V408-R591 PolarHBondContact O-N 2.99Å
409	L	98.9	Very high	98.6	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	119	174.8	-54.4	-177	0	0	0	109.2	I384 I385 G387 V407 R591 F594 V596 V608 W616	I384-L409 HydrophobicContact CG2-CD1 3.91Å; I384-L409 HydrophobicContact CG2-CG 4.13Å; I385-L409 PolarHBondContact O-N 3.27Å; G387-L409 PolarHBondContact N-O 2.65Å; V407-L409 HydrophobicContact CG2-CD2 4.32Å; L409-R591 HydrophobicContact CD2-CB 3.8Å; L409-R591 HydrophobicContact CD2-CG 3.93Å; L409-F594 HydrophobicContact CB-CB 4.25Å; L409-F594 HydrophobicContact CD2-CB 4.25Å; L409-F594 HydrophobicContact CD2-CD1 4.44Å; L409-V596 HydrophobicContact CB-CG2 4.15Å; L409-V596 HydrophobicContact CD1-CG2 3.94Å; L409-V608 HydrophobicContact CD1-CG1 3.99Å; L409-W616 HydrophobicContact CD1-CG 4.11Å; L409-W616 HydrophobicContact CD2-CD2 4.14Å; L409-W616 HydrophobicContact CD2-CZ2 4.14Å
410	E	98.9	Very high	98.6	Very high	14 Å²	14	32 Å²	32	7%	0.065	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	132.7	-179.1	171.6	51.4	-113.4	0	0	110.2	A388 K412 R414 R591 L592 N593 F594	A388-E410 HydrophobicContact CB-CB 3.82Å; A388-E410 HydrophobicContact CB-CG 4.02Å; A388-E410 PolarHBondContact N-OE2 3.34Å; E410-K412 VanDerWaalsContact C-N 3.26Å; E410-K412 HydrophobicContact CG-CB 4.19Å; E410-K412 PolarHBondContact O-N 2.96Å; E410-K412 WeakPolarHBondContact OE1-CB 3.36Å; E410-K412 PolarHBondContact OE1-N 3.34Å; E410-R414 WeakPolarHBondContact CG-O 3.42Å; E410-R591 PolarHBondContact N-O 3.4Å; E410-L592 HydrophobicContact CB-CD2 4.01Å; E410-L592 HydrophobicContact CG-CD2 3.89Å; E410-N593 PolarHBondContact O-N 2.89Å; E410-F594 PolarHBondContact O-N 3.44Å
411	A	98.6	Very high	98.6	Very high	21 Å²	21	30.6 Å²	30.6	17%	0.174	15%	0.148	C	C	.	.	S	Bend	trans	-71.6	-21.5	-176.8	0	0	0	0	0	113.4	P595 W760	A411-P595 HydrophobicContact CB-CB 3.84Å; A411-W760 HydrophobicContact CB-CB 4.22Å; A411-W760 HydrophobicContact CB-CD2 3.6Å; A411-W760 HydrophobicContact CB-CE3 4.04Å; A411-W760 HydrophobicContact CB-CG 3.67Å; A411-W760 HydrophobicContact CB-CZ2 4.5Å; A411-W760 PolarHBondContact O-NE1 3.19Å
412	K	98.6	Very high	98.6	Very high	18 Å²	18	31.2 Å²	31.2	8%	0.078	15%	0.152	C	C	.	.	S	Bend	trans	-94.3	166	-179.5	-68.5	-177.2	174.2	-67.2	0	114	E410 R414 L592 N593 D758 W760	E410-K412 VanDerWaalsContact C-N 3.26Å; E410-K412 HydrophobicContact CG-CB 4.19Å; E410-K412 PolarHBondContact O-N 2.96Å; E410-K412 WeakPolarHBondContact OE1-CB 3.36Å; E410-K412 PolarHBondContact OE1-N 3.34Å; K412-R414 HydrophobicContact CB-CG 4.38Å; K412-R414 HydrophobicContact CD-CG 4.5Å; K412-R414 PolarHBondContact O-N 2.87Å; K412-L592 CarbonylContact O-C 3.59Å; K412-L592 WeakPolarHBondContact O-CA 3.5Å; K412-L592 WeakPolarHBondContact O-CB 3.28Å; K412-N593 PolarHBondContact O-N 2.85Å; K412-D758 WeakPolarHBondContact CE-OD1 3.32Å; K412-D758 WeakPolarHBondContact CE-OD2 3.26Å; K412-D758 IonicContact NZ-OD1 2.64Å; K412-D758 PolarHBondContact NZ-OD1 3.46Å; K412-D758 IonicContact NZ-OD2 2.71Å; K412-D758 PolarHBondContact NZ-OD2 3.44Å; K412-W760 HydrophobicContact CG-CB 4.4Å
413	D	98.4	Very high	98.6	Very high	115 Å²	115	36.1 Å²	36.1	62%	0.615	17%	0.173	S	C	*	.	S	Bend	trans	-68.8	-2.2	164.3	63.1	-28.2	0	0	0	114.3	N593	D413-N593 WeakPolarHBondContact CA-OD1 3.26Å; D413-N593 PolarHBondContact N-OD1 3.42Å
414	R	98.7	Very high	98.6	Very high	41 Å²	41	39.9 Å²	39.9	16%	0.155	19%	0.194	C	C	.	.	S	Bend	trans	-148.4	154.9	-178	65.2	169	-171.4	81.5	-1.6	113.4	E410 K412 G417 V419	E410-R414 WeakPolarHBondContact CG-O 3.42Å; K412-R414 HydrophobicContact CB-CG 4.38Å; K412-R414 HydrophobicContact CD-CG 4.5Å; K412-R414 PolarHBondContact O-N 2.87Å; R414-G417 PolarHBondContact NH1-O 3.06Å; R414-G417 VanDerWaalsContact NH1-O 3.08Å; R414-G417 PolarHBondContact NH2-O 3.36Å; R414-V419 PolarHBondContact NH1-O 3.14Å
415	I	98.8	Very high	98.6	Very high	35 Å²	35	40 Å²	40	18%	0.179	19%	0.194	C	C	.	.	S	Bend	trans	-77.2	-179.3	169.4	61.8	171.5	0	0	0	112.8	A388 L393 G417 I581 A585 I590 L592	A388-I415 HydrophobicContact CB-CB 4.13Å; A388-I415 HydrophobicContact CB-CG2 3.77Å; L393-I415 HydrophobicContact CD1-CB 4.48Å; L393-I415 HydrophobicContact CD1-CD1 4.49Å; I415-G417 VanDerWaalsContact C-N 3.27Å; I415-G417 PolarHBondContact O-N 2.95Å; I415-G417 VanDerWaalsContact O-N 3.17Å; I415-I581 HydrophobicContact CD1-CG2 3.9Å; I415-I581 HydrophobicContact CG1-CG2 4.11Å; I415-A585 HydrophobicContact CD1-CB 3.55Å; I415-I590 HydrophobicContact CG2-CD1 4.23Å; I415-I590 HydrophobicContact CG2-CG2 4.06Å; I415-L592 HydrophobicContact CG2-CD2 3.93Å
416	G	98.6	Very high	98.3	Very high	3 Å²	3	38.9 Å²	38.9	3%	0.031	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	85.8	-30.4	171.9	0	0	0	0	0	115.1	A388 R418 V419	A388-G416 PolarHBondContact O-N 3.29Å; G416-R418 PolarHBondContact O-N 2.82Å; G416-V419 CarbonylContact C-O 3.55Å; G416-V419 VanDerWaalsContact C-O 3.32Å; G416-V419 PolarHBondContact O-N 3.22Å
417	G	98.6	Very high	98	Very high	4 Å²	4	41.8 Å²	41.8	4%	0.041	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	-104.7	179	0	0	0	0	0	112.2	R414 I415 V419	R414-G417 PolarHBondContact NH1-O 3.06Å; R414-G417 VanDerWaalsContact NH1-O 3.08Å; R414-G417 PolarHBondContact NH2-O 3.36Å; I415-G417 VanDerWaalsContact C-N 3.27Å; I415-G417 PolarHBondContact O-N 2.95Å; I415-G417 VanDerWaalsContact O-N 3.17Å; G417-V419 VanDerWaalsContact C-N 3.32Å
418	R	98.8	Very high	98	Very high	50 Å²	50	41.6 Å²	41.6	19%	0.189	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-5	175.7	-73.6	178.9	-82.5	169.4	-6.7	114.4	G416 G433 A434 L761 A764 E793	G416-R418 PolarHBondContact O-N 2.82Å; R418-G433 VanDerWaalsContact O-CA 3.28Å; R418-G433 WeakPolarHBondContact O-CA 3.36Å; R418-A434 PolarHBondContact O-N 3.2Å; R418-L761 HydrophobicContact CG-CD1 4.15Å; R418-L761 HydrophobicContact CG-CD2 4.16Å; R418-A764 WeakPolarHBondContact CD-O 3.37Å; R418-A764 PolarHBondContact NH1-O 2.69Å; R418-E793 IonicContact CZ-OE1 2.72Å; R418-E793 IonicContact NH1-OE1 3.51Å; R418-E793 PolarHBondContact NH1-OE1 3.21Å; R418-E793 IonicContact NH1-OE2 2.79Å; R418-E793 IonicContact NH2-OE1 3.76Å; R418-E793 PolarHBondContact NH2-OE1 2.91Å
419	V	98.8	Very high	97.9	Very high	7 Å²	7	42.7 Å²	42.7	4%	0.042	23%	0.229	C	C	.	.			trans	-87.6	124.9	152.6	173.7	0	0	0	0	107.6	R414 G416 G417 Y577 I581 V803	R414-V419 PolarHBondContact NH1-O 3.14Å; G416-V419 CarbonylContact C-O 3.55Å; G416-V419 VanDerWaalsContact C-O 3.32Å; G416-V419 PolarHBondContact O-N 3.22Å; G417-V419 VanDerWaalsContact C-N 3.32Å; V419-Y577 HydrophobicContact CG2-CG 4.42Å; V419-I581 HydrophobicContact CB-CG1 3.97Å; V419-I581 HydrophobicContact CG1-CG1 3.82Å; V419-I581 HydrophobicContact CG2-CD1 4.43Å; V419-I581 HydrophobicContact CG2-CG1 4.07Å; V419-V803 HydrophobicContact CG2-CG1 4.3Å; V419-V803 HydrophobicContact CG2-CG2 4.08Å
420	W	98.8	Very high	97.9	Very high	105 Å²	105	42.6 Å²	42.6	40%	0.398	23%	0.228	S	C	.	.			trans	-162.3	120.3	173.2	-172.5	19.9	0	0	0	108.1	R432 G433 W755	W420-R432 HydrophobicContact CE3-CB 4.43Å; W420-R432 WeakPolarHBondContact O-CB 3.23Å; W420-R432 PolarHBondContact O-N 3.47Å; W420-G433 PolarHBondContact O-N 3.11Å; W420-W755 HydrophobicContact CB-CH2 3.82Å; W420-W755 HydrophobicContact CB-CZ2 4.34Å; W420-W755 AromaticContact CE3-CH2 3.8Å; W420-W755 HydrophobicContact CE3-CH2 3.8Å; W420-W755 HydrophobicContact CE3-CZ2 4.31Å; W420-W755 HydrophobicContact CE3-CZ3 4.28Å
421	D	98.8	Very high	97.9	Very high	15 Å²	15	42 Å²	42	8%	0.08	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	139.7	-174.3	-55.4	-29.1	0	0	0	111.1	T429 G431 G576 Y577 S578	D421-T429 HydrophobicContact CB-CG2 3.6Å; D421-G431 WeakPolarHBondContact OD1-CA 3.38Å; D421-G576 WeakPolarHBondContact OD2-CA 3.33Å; D421-Y577 PolarHBondContact OD2-N 2.85Å; D421-S578 WeakPolarHBondContact OD2-CA 3.3Å; D421-S578 WeakPolarHBondContact OD2-CB 3.33Å; D421-S578 PolarHBondContact OD2-N 3.26Å; D421-S578 PolarHBondContact OD2-OG 3.47Å
422	D	98.6	Very high	97.9	Very high	14 Å²	14	43.2 Å²	43.2	8%	0.075	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	101.2	173	-158.8	-45.5	0	0	0	109.7	T424 F425 V430 R432 F751	D422-T424 WeakPolarHBondContact OD1-CA 3.37Å; D422-T424 VanDerWaalsContact OD1-CB 3.28Å; D422-T424 WeakPolarHBondContact OD1-CB 3.44Å; D422-T424 PolarHBondContact OD1-N 3.03Å; D422-T424 PolarHBondContact OD1-OG1 3.14Å; D422-F425 HydrophobicContact CB-CD2 4.03Å; D422-F425 HydrophobicContact CB-CE2 3.91Å; D422-V430 PolarHBondContact N-O 3.08Å; D422-V430 PolarHBondContact O-N 3.33Å; D422-R432 HydrophobicContact CB-CG 4.5Å; D422-R432 IonicContact OD2-CZ 2.91Å; D422-R432 IonicContact OD2-NE 2.71Å; D422-R432 PolarHBondContact OD2-NE 2.93Å; D422-R432 IonicContact OD2-NH2 3.6Å; D422-R432 PolarHBondContact OD2-NH2 3.39Å; D422-F751 HydrophobicContact CB-CD1 4.22Å; D422-F751 HydrophobicContact CB-CE1 3.88Å
423	K	98	Very high	97.9	Very high	102 Å²	102	42.9 Å²	42.9	44%	0.443	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	11.2	175.7	-60.7	178.8	-178	173.4	0	112.3	T429 S578 D582	K423-T429 HydrophobicContact CG-CG2 3.86Å; K423-S578 WeakPolarHBondContact CE-OG 3.35Å; K423-S578 PolarHBondContact NZ-OG 3.47Å; K423-D582 IonicContact NZ-OD2 2.9Å; K423-D582 PolarHBondContact NZ-OD2 2.84Å
424	T	98.1	Very high	97.9	Very high	91 Å²	91	39 Å²	39	56%	0.558	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.6	1.9	-174.9	77.6	0	0	0	0	113.8	D422 K749	D422-T424 WeakPolarHBondContact OD1-CA 3.37Å; D422-T424 VanDerWaalsContact OD1-CB 3.28Å; D422-T424 WeakPolarHBondContact OD1-CB 3.44Å; D422-T424 PolarHBondContact OD1-N 3.03Å; D422-T424 PolarHBondContact OD1-OG1 3.14Å; T424-K749 PolarHBondContact O-NZ 2.78Å; T424-K749 WeakPolarHBondContact OG1-CE 3.26Å; T424-K749 PolarHBondContact OG1-NZ 3.02Å
425	F	97.5	Very high	97.9	Very high	8 Å²	8	37.3 Å²	37.3	4%	0.035	21%	0.205	C	C	.	.	S	Bend	trans	-76.3	154.1	166.1	-72.4	-94.3	0	0	0	110.4	D422 G427 V430 A661 Q663 I706 K749 F751	D422-F425 HydrophobicContact CB-CD2 4.03Å; D422-F425 HydrophobicContact CB-CE2 3.91Å; F425-G427 PolarHBondContact O-N 3.19Å; F425-V430 HydrophobicContact CB-CG2 4.32Å; F425-V430 HydrophobicContact CD1-CG2 4.49Å; F425-V430 HydrophobicContact CD2-CB 4.16Å; F425-V430 HydrophobicContact CD2-CG2 3.73Å; F425-V430 HydrophobicContact CE2-CB 4.27Å; F425-V430 HydrophobicContact CE2-CG2 4.15Å; F425-V430 HydrophobicContact CG-CG2 3.93Å; F425-A661 HydrophobicContact CZ-CB 4.15Å; F425-Q663 HydrophobicContact CD1-CB 3.9Å; F425-Q663 HydrophobicContact CE1-CB 3.96Å; F425-I706 HydrophobicContact CB-CD1 3.77Å; F425-I706 HydrophobicContact CD1-CD1 4.04Å; F425-I706 HydrophobicContact CD1-CG1 4.11Å; F425-I706 HydrophobicContact CD1-CG2 4.21Å; F425-I706 HydrophobicContact CE1-CG2 4.43Å; F425-I706 HydrophobicContact CG-CD1 4.27Å; F425-K749 HydrophobicContact CD1-CD 4.29Å; F425-K749 HydrophobicContact CE1-CD 4.24Å; F425-K749 HydrophobicContact CE1-CG 4.06Å; F425-K749 HydrophobicContact CZ-CG 4.38Å; F425-F751 AromaticContact CE2-CD1 3.63Å; F425-F751 HydrophobicContact CE2-CD1 3.63Å; F425-F751 AromaticContact CE2-CE1 3.71Å; F425-F751 HydrophobicContact CE2-CE1 3.71Å; F425-F751 AromaticContact CZ-CD1 3.83Å; F425-F751 HydrophobicContact CZ-CD1 3.83Å; F425-F751 HydrophobicContact CZ-CE1 4.12Å
426	K	92.4	Very high	97.9	Very high	135 Å²	135	37.5 Å²	37.5	59%	0.587	21%	0.206	S	C	*	.	S	Bend	trans	-69.3	105.2	-175.2	-176.9	-173.5	170.1	-163.2	0	110.8	V428 Q704	K426-V428 PolarHBondContact O-N 3.11Å; K426-Q704 WeakPolarHBondContact O-CG 3.48Å
427	G	93.2	Very high	97.9	Very high	80 Å²	80	37.3 Å²	37.3	83%	0.825	20%	0.204	S	C	*	.	S	Bend	trans	72.8	4.1	171.7	0	0	0	0	0	116	F425	F425-G427 PolarHBondContact O-N 3.19Å
428	V	97.6	Very high	97.9	Very high	14 Å²	14	40.9 Å²	40.9	9%	0.085	22%	0.222	C	C	.	.			trans	-133.7	140.9	-175.3	170.2	0	0	0	0	108.8	K426 V430 M698 D699 Q704 I706	K426-V428 PolarHBondContact O-N 3.11Å; V428-V430 HydrophobicContact CG1-CG2 4.04Å; V428-M698 HydrophobicContact CG1-CB 3.92Å; V428-M698 VanDerWaalsContact CG1-O 3.25Å; V428-M698 WeakPolarHBondContact CG1-O 3.47Å; V428-D699 HydrophobicContact CG2-CB 3.93Å; V428-Q704 HydrophobicContact CG2-CB 4.01Å; V428-Q704 HydrophobicContact CG2-CG 3.92Å; V428-I706 HydrophobicContact CB-CD1 3.62Å; V428-I706 HydrophobicContact CG1-CD1 3.98Å; V428-I706 HydrophobicContact CG2-CD1 3.94Å
429	T	98.6	Very high	97.9	Very high	23 Å²	23	38.5 Å²	38.5	14%	0.141	21%	0.213	C	C	.	.			trans	-99.5	128.5	171.7	-62.2	0	0	0	0	109.4	D421 K423 Q435	D421-T429 HydrophobicContact CB-CG2 3.6Å; K423-T429 HydrophobicContact CG-CG2 3.86Å; T429-Q435 PolarHBondContact O-NE2 3.5Å
430	V	98.8	Very high	97.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	113.8	-178.4	-170.3	0	0	0	0	110.5	D422 F425 V428 R432 A661 M698 I706 F751	D422-V430 PolarHBondContact N-O 3.08Å; D422-V430 PolarHBondContact O-N 3.33Å; F425-V430 HydrophobicContact CB-CG2 4.32Å; F425-V430 HydrophobicContact CD1-CG2 4.49Å; F425-V430 HydrophobicContact CD2-CB 4.16Å; F425-V430 HydrophobicContact CD2-CG2 3.73Å; F425-V430 HydrophobicContact CE2-CB 4.27Å; F425-V430 HydrophobicContact CE2-CG2 4.15Å; F425-V430 HydrophobicContact CG-CG2 3.93Å; V428-V430 HydrophobicContact CG1-CG2 4.04Å; V430-R432 PolarHBondContact O-N 3.42Å; V430-A661 HydrophobicContact CG1-CB 3.74Å; V430-M698 HydrophobicContact CG1-CE 4.37Å; V430-M698 HydrophobicContact CG1-CG 4.48Å; V430-I706 HydrophobicContact CG2-CG2 3.95Å; V430-F751 HydrophobicContact CB-CE1 4.17Å; V430-F751 HydrophobicContact CG1-CE1 3.95Å; V430-F751 HydrophobicContact CG1-CZ 3.86Å
431	G	98.7	Very high	97.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	109.7	177.6	0	0	0	0	0	111.8	D421 G433 K659	D421-G431 WeakPolarHBondContact OD1-CA 3.38Å; G431-G433 PolarHBondContact O-N 2.88Å; G431-K659 WeakPolarHBondContact O-CD 3.43Å; G431-K659 PolarHBondContact O-NZ 2.67Å
432	R	98.8	Very high	97.8	Very high	48 Å²	48	33.2 Å²	33.2	18%	0.181	19%	0.193	C	C	.	.	S	Bend	trans	-61.7	-32.4	164.4	-65	167.4	172.9	-95.8	-3.2	109.7	W420 D422 V430 F751 T753 W755	W420-R432 HydrophobicContact CE3-CB 4.43Å; W420-R432 WeakPolarHBondContact O-CB 3.23Å; W420-R432 PolarHBondContact O-N 3.47Å; D422-R432 HydrophobicContact CB-CG 4.5Å; D422-R432 IonicContact OD2-CZ 2.91Å; D422-R432 IonicContact OD2-NE 2.71Å; D422-R432 PolarHBondContact OD2-NE 2.93Å; D422-R432 IonicContact OD2-NH2 3.6Å; D422-R432 PolarHBondContact OD2-NH2 3.39Å; V430-R432 PolarHBondContact O-N 3.42Å; R432-F751 HydrophobicContact CB-CE2 4.32Å; R432-F751 HydrophobicContact CB-CZ 4.25Å; R432-F751 HydrophobicContact CG-CD1 4.17Å; R432-F751 HydrophobicContact CG-CD2 4.15Å; R432-F751 HydrophobicContact CG-CE1 3.71Å; R432-F751 HydrophobicContact CG-CE2 3.72Å; R432-F751 HydrophobicContact CG-CG 4.4Å; R432-F751 HydrophobicContact CG-CZ 3.48Å; R432-F751 VanDerWaalsContact CG-CZ 3.48Å; R432-T753 HydrophobicContact CB-CG2 3.9Å; R432-T753 HydrophobicContact CG-CG2 4.37Å; R432-W755 HydrophobicContact CB-CZ2 4.17Å; R432-W755 PolarHBondContact O-NE1 2.78Å
433	G	98.5	Very high	97.8	Very high	10 Å²	10	32.6 Å²	32.6	10%	0.103	19%	0.19	C	C	.	.	S	Bend	trans	-98.6	-136.9	174.5	0	0	0	0	0	112.9	R418 W420 G431 K659	R418-G433 VanDerWaalsContact O-CA 3.28Å; R418-G433 WeakPolarHBondContact O-CA 3.36Å; W420-G433 PolarHBondContact O-N 3.11Å; G431-G433 PolarHBondContact O-N 2.88Å; G433-K659 PolarHBondContact O-NZ 2.84Å
434	A	98.4	Very high	97.9	Very high	34 Å²	34	28.3 Å²	28.3	28%	0.281	17%	0.172	S	C	.	.			trans	-63	148.9	171.9	0	0	0	0	0	112.3	R418 Y577 V803	R418-A434 PolarHBondContact O-N 3.2Å; A434-Y577 HydrophobicContact CB-CD2 3.85Å; A434-Y577 HydrophobicContact CB-CE2 3.82Å; A434-Y577 WeakPolarHBondContact O-CD2 3.45Å; A434-V803 HydrophobicContact CB-CG2 3.4Å
435	Q	98.7	Very high	97.9	Very high	5 Å²	5	24.1 Å²	24.1	2%	0.023	15%	0.146	C	C	.	.			trans	-152.5	-16.5	168.1	-155.9	174.7	-2.5	0	0	114.3	T429 L572 L573	T429-Q435 PolarHBondContact O-NE2 3.5Å; Q435-L572 HydrophobicContact CB-CD1 4.2Å; Q435-L572 HydrophobicContact CG-CD1 3.75Å; Q435-L573 WeakPolarHBondContact CG-O 3.44Å; Q435-L573 PolarHBondContact NE2-O 3.18Å; Q435-L573 WeakPolarHBondContact O-CB 3.39Å; Q435-L573 PolarHBondContact O-N 2.79Å
436	I	98.7	Very high	97.9	Very high	39 Å²	39	23.9 Å²	23.9	20%	0.2	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	142.1	174.8	-60.9	172.1	0	0	0	109.7	N438 L459 T571 Y577 Y696	I436-N438 WeakPolarHBondContact CG2-OD1 3.49Å; I436-L459 HydrophobicContact CD1-CD1 4.36Å; I436-L459 HydrophobicContact CG1-CD1 4.48Å; I436-L459 HydrophobicContact CG2-CD1 4.23Å; I436-T571 CarbonylContact C-O 3.59Å; I436-T571 VanDerWaalsContact CA-O 3.3Å; I436-T571 WeakPolarHBondContact CA-O 3.29Å; I436-Y577 WeakPolarHBondContact O-CE2 3.37Å; I436-Y577 PolarHBondContact O-OH 2.88Å; I436-Y696 HydrophobicContact CD1-CE1 4.09Å
437	V	98.8	Very high	98.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	117.6	165.6	-172.8	0	0	0	0	107.7	M445 M456 H570 T571 L573 Y577	V437-M445 HydrophobicContact CG1-CB 4.01Å; V437-M445 HydrophobicContact CG2-CB 4.22Å; V437-M456 HydrophobicContact CG2-SD 4.01Å; V437-H570 WeakPolarHBondContact O-CA 3.4Å; V437-T571 PolarHBondContact N-O 2.99Å; V437-T571 PolarHBondContact O-N 3.13Å; V437-L573 HydrophobicContact CG2-CB 4.48Å; V437-Y577 HydrophobicContact CG2-CE1 4.45Å; V437-Y577 WeakPolarHBondContact CG2-OH 3.5Å
438	N	97.9	Very high	98.5	Very high	78 Å²	78	14 Å²	14	42%	0.417	8%	0.08	S	C	.	.	S	Bend	trans	-89.7	119.1	177.7	-68.9	-23.6	0	0	0	109.8	I436 N443 H570	I436-N438 WeakPolarHBondContact CG2-OD1 3.49Å; N438-N443 PolarHBondContact O-ND2 2.91Å; N438-H570 PolarHBondContact OD1-ND1 3.11Å
439	G	97.9	Very high	98.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.077	C	C	.	.			trans	59.6	103.5	-175.1	0	0	0	0	0	113.5	N443 F566 A567	G439-N443 VanDerWaalsContact O-CB 3.3Å; G439-N443 WeakPolarHBondContact O-CB 3.28Å; G439-N443 PolarHBondContact O-ND2 2.87Å; G439-F566 WeakPolarHBondContact O-CB 3.45Å; G439-A567 CarbonylContact C-O 3.12Å; G439-A567 WeakPolarHBondContact CA-O 3.42Å
440	C	98.4	Very high	98.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.083	C	C	.	.			trans	-84.5	-19.5	-176.5	-69	0	0	0	0	115.3	Y266 N442 N443 A446 M456 A567 D569 T571	Y266-C440 HydrophobicContact CD1-CB 3.48Å; Y266-C440 VanDerWaalsContact CD1-CB 3.48Å; Y266-C440 HydrophobicContact CD2-CB 4.08Å; Y266-C440 HydrophobicContact CE1-CB 3.37Å; Y266-C440 HydrophobicContact CE2-CB 3.98Å; Y266-C440 HydrophobicContact CG-CB 3.86Å; C440-N442 PolarHBondContact O-N 3.49Å; C440-N443 WeakPolarHBondContact O-CB 3.45Å; C440-N443 PolarHBondContact O-N 3.06Å; C440-N443 VanDerWaalsContact O-N 3.12Å; C440-A446 HydrophobicContact CB-CB 4.43Å; C440-A446 WeakPolarHBondContact O-CB 3.49Å; C440-M456 HydrophobicContact CB-CE 4.22Å; C440-A567 PolarHBondContact N-O 2.91Å; C440-D569 WeakPolarHBondContact CB-O 3.47Å; C440-D569 PolarHBondContact N-O 3.29Å; C440-D569 PolarHBondContact SG-O 2.9Å; C440-T571 VanDerWaalsContact SG-CG2 3.51Å; C440-T571 PolarHBondContact SG-OG1 3.03Å
441	V	98.2	Very high	98.5	Very high	11 Å²	11	16 Å²	16	7%	0.067	9%	0.087	C	C	.	.	B	Isolated β-bridge	trans	-65.1	125.6	-178.7	175.9	0	0	0	0	110.4	Y266 Q268 K278 N443 F566 A567	Y266-V441 HydrophobicContact CD1-CG2 4.22Å; Y266-V441 WeakPolarHBondContact O-CA 3.15Å; Q268-V441 HydrophobicContact CB-CG1 3.9Å; Q268-V441 HydrophobicContact CG-CG1 3.96Å; K278-V441 HydrophobicContact CD-CG1 4.48Å; V441-N443 PolarHBondContact O-N 3.44Å; V441-N443 VanDerWaalsContact O-N 3.08Å; V441-F566 WeakPolarHBondContact O-CD1 3.37Å; V441-A567 HydrophobicContact CB-CB 4.4Å; V441-A567 VanDerWaalsContact CB-O 3.3Å; V441-A567 WeakPolarHBondContact CB-O 3.23Å; V441-A567 WeakPolarHBondContact CG2-O 3.47Å; V441-A567 PolarHBondContact N-O 2.91Å
442	N	98.3	Very high	98.5	Very high	6 Å²	6	18.9 Å²	18.9	3%	0.032	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	10.5	-172.1	-56.9	-26.2	0	0	0	115.5	Y266 Q268 A279 L280 C281 C440 P444	Y266-N442 PolarHBondContact O-N 3.37Å; Y266-N442 PolarHBondContact O-OD1 3.09Å; Q268-N442 WeakPolarHBondContact CA-OD1 3.46Å; Q268-N442 PolarHBondContact N-OD1 3.04Å; Q268-N442 PolarHBondContact O-ND2 3.09Å; Q268-N442 PolarHBondContact O-OD1 3.36Å; A279-N442 PolarHBondContact O-ND2 3.18Å; A279-N442 VanDerWaalsContact O-ND2 3.11Å; L280-N442 HydrophobicContact CB-CB 4.04Å; C281-N442 PolarHBondContact SG-ND2 3.32Å; C440-N442 PolarHBondContact O-N 3.49Å; N442-P444 WeakPolarHBondContact O-CD 3.35Å
443	N	98.8	Very high	98.4	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	12%	0.122	C	C	.	.			trans	-71.7	127.8	-177.4	-164.4	-43	0	0	0	110.2	N438 G439 C440 V441 M445 A446 L447 F566 T804	N438-N443 PolarHBondContact O-ND2 2.91Å; G439-N443 VanDerWaalsContact O-CB 3.3Å; G439-N443 WeakPolarHBondContact O-CB 3.28Å; G439-N443 PolarHBondContact O-ND2 2.87Å; C440-N443 WeakPolarHBondContact O-CB 3.45Å; C440-N443 PolarHBondContact O-N 3.06Å; C440-N443 VanDerWaalsContact O-N 3.12Å; V441-N443 PolarHBondContact O-N 3.44Å; V441-N443 VanDerWaalsContact O-N 3.08Å; N443-M445 PolarHBondContact O-N 3.47Å; N443-M445 WeakPolarHBondContact OD1-CB 3.32Å; N443-M445 WeakPolarHBondContact OD1-CG 3.22Å; N443-M445 PolarHBondContact OD1-N 3Å; N443-A446 HydrophobicContact CB-CB 4.47Å; N443-A446 WeakPolarHBondContact O-CA 3.5Å; N443-A446 WeakPolarHBondContact O-CB 3.47Å; N443-A446 PolarHBondContact O-N 3.39Å; N443-L447 PolarHBondContact O-N 3.39Å; N443-L447 VanDerWaalsContact O-N 3.14Å; N443-F566 HydrophobicContact CB-CD1 3.93Å; N443-F566 HydrophobicContact CB-CE1 4.16Å; N443-T804 PolarHBondContact ND2-OG1 3.02Å; N443-T804 VanDerWaalsContact OD1-CG2 3.32Å; N443-T804 WeakPolarHBondContact OD1-CG2 3.44Å; N443-T804 PolarHBondContact OD1-OG1 3.04Å
444	P	98.8	Very high	98.4	Very high	11 Å²	11	20.3 Å²	20.3	7%	0.071	13%	0.125	C	C	.	.	H	α-helix	trans	-50.7	-27.7	173.8	-29.1	33.3	0	0	0	114.3	L280 N442 L447 M448 T804 Y807 L808	L280-P444 HydrophobicContact CD1-CG 4.14Å; N442-P444 WeakPolarHBondContact O-CD 3.35Å; P444-L447 WeakPolarHBondContact O-CB 3.41Å; P444-L447 PolarHBondContact O-N 3.35Å; P444-M448 HydrophobicContact CB-CE 4.28Å; P444-M448 WeakPolarHBondContact O-CE 3.3Å; P444-M448 WeakPolarHBondContact O-CG 3.46Å; P444-M448 PolarHBondContact O-N 3.49Å; P444-T804 HydrophobicContact CG-CG2 4.37Å; P444-Y807 HydrophobicContact CB-CD1 3.62Å; P444-Y807 HydrophobicContact CB-CE1 3.6Å; P444-Y807 HydrophobicContact CB-CG 4.46Å; P444-Y807 HydrophobicContact CG-CD1 3.96Å; P444-Y807 HydrophobicContact CG-CE1 4.06Å; P444-L808 HydrophobicContact CG-CD1 4.33Å; P444-L808 HydrophobicContact CG-CD2 3.75Å; P444-L808 HydrophobicContact CG-CG 4.04Å
445	M	98.6	Very high	98.3	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.02	15%	0.149	C	C	.	.	H	α-helix	trans	-69.7	-37.5	175.3	-56.8	-59.3	144.2	0	0	112	V437 N443 M448 C449 Y577 V803 T804 Y807	V437-M445 HydrophobicContact CG1-CB 4.01Å; V437-M445 HydrophobicContact CG2-CB 4.22Å; N443-M445 PolarHBondContact O-N 3.47Å; N443-M445 WeakPolarHBondContact OD1-CB 3.32Å; N443-M445 WeakPolarHBondContact OD1-CG 3.22Å; N443-M445 PolarHBondContact OD1-N 3Å; M445-M448 HydrophobicContact CE-CE 3.49Å; M445-M448 VanDerWaalsContact CE-CE 3.49Å; M445-M448 PolarHBondContact O-N 3.19Å; M445-M448 HydrophobicContact SD-CE 3.51Å; M445-M448 VanDerWaalsContact SD-CE 3.51Å; M445-C449 WeakPolarHBondContact O-CB 3.45Å; M445-C449 PolarHBondContact O-N 3.29Å; M445-C449 PolarHBondContact O-SG 3.04Å; M445-Y577 HydrophobicContact CB-CE1 4.47Å; M445-Y577 HydrophobicContact CG-CE1 3.87Å; M445-Y577 HydrophobicContact SD-CD1 4.15Å; M445-Y577 HydrophobicContact SD-CE1 3.69Å; M445-V803 HydrophobicContact CE-CG1 3.9Å; M445-V803 HydrophobicContact SD-CG1 4.22Å; M445-T804 WeakPolarHBondContact CG-OG1 3.27Å; M445-Y807 HydrophobicContact CE-CD2 4.23Å; M445-Y807 HydrophobicContact CE-CG 3.88Å
446	A	98.6	Very high	98.2	Very high	2 Å²	2	28.7 Å²	28.7	2%	0.017	16%	0.156	C	C	.	.	H	α-helix	trans	-68.2	-36.7	172.6	0	0	0	0	0	111.8	Y266 C440 N443 E450 M456	Y266-A446 HydrophobicContact CD2-CB 4.04Å; Y266-A446 HydrophobicContact CG-CB 4.3Å; C440-A446 HydrophobicContact CB-CB 4.43Å; C440-A446 WeakPolarHBondContact O-CB 3.49Å; N443-A446 HydrophobicContact CB-CB 4.47Å; N443-A446 WeakPolarHBondContact O-CA 3.5Å; N443-A446 WeakPolarHBondContact O-CB 3.47Å; N443-A446 PolarHBondContact O-N 3.39Å; A446-E450 PolarHBondContact O-N 2.9Å; A446-M456 HydrophobicContact CB-CE 3.88Å
447	L	98.8	Very high	98.2	Very high	8 Å²	8	29.5 Å²	29.5	4%	0.042	16%	0.158	C	C	.	.	H	α-helix	trans	-61.1	-48.4	171.9	173.5	63.7	0	0	0	111.8	F267 W316 C320 T362 N443 P444 E450 Q451	F267-L447 HydrophobicContact CE1-CB 4.18Å; F267-L447 HydrophobicContact CE1-CD1 4.11Å; F267-L447 HydrophobicContact CZ-CD1 3.82Å; W316-L447 HydrophobicContact CZ2-CD1 4.28Å; W316-L447 HydrophobicContact CZ2-CD2 4.27Å; C320-L447 HydrophobicContact CB-CD1 3.61Å; T362-L447 HydrophobicContact CG2-CD2 3.91Å; N443-L447 PolarHBondContact O-N 3.39Å; N443-L447 VanDerWaalsContact O-N 3.14Å; P444-L447 WeakPolarHBondContact O-CB 3.41Å; P444-L447 PolarHBondContact O-N 3.35Å; L447-E450 PolarHBondContact O-N 3.01Å; L447-Q451 HydrophobicContact CD1-CG 4.48Å; L447-Q451 VanDerWaalsContact O-CG 3.32Å; L447-Q451 WeakPolarHBondContact O-CG 3.44Å; L447-Q451 PolarHBondContact O-N 2.98Å
448	M	98.8	Very high	98.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-69	-34.2	179.2	-70.3	-175.2	-74.7	0	0	112.5	G363 I364 P444 M445 Q451 L452 V580 L584 Y807	G363-M448 VanDerWaalsContact CA-CG 3.5Å; I364-M448 HydrophobicContact CG2-CB 4.09Å; I364-M448 HydrophobicContact CG2-CG 3.91Å; I364-M448 HydrophobicContact CG2-SD 3.75Å; P444-M448 HydrophobicContact CB-CE 4.28Å; P444-M448 WeakPolarHBondContact O-CE 3.3Å; P444-M448 WeakPolarHBondContact O-CG 3.46Å; P444-M448 PolarHBondContact O-N 3.49Å; M445-M448 HydrophobicContact CE-CE 3.49Å; M445-M448 VanDerWaalsContact CE-CE 3.49Å; M445-M448 PolarHBondContact O-N 3.19Å; M445-M448 HydrophobicContact SD-CE 3.51Å; M445-M448 VanDerWaalsContact SD-CE 3.51Å; M448-Q451 PolarHBondContact O-N 2.94Å; M448-L452 WeakPolarHBondContact O-CB 3.42Å; M448-L452 PolarHBondContact O-N 2.98Å; M448-V580 HydrophobicContact CB-CG1 4.04Å; M448-V580 HydrophobicContact CE-CG1 3.85Å; M448-V580 HydrophobicContact CG-CG1 4.42Å; M448-V580 HydrophobicContact SD-CG1 3.59Å; M448-V580 VanDerWaalsContact SD-CG1 3.59Å; M448-L584 HydrophobicContact SD-CD1 4.28Å; M448-L584 HydrophobicContact SD-CD2 4.14Å; M448-L584 HydrophobicContact SD-CG 4.41Å; M448-Y807 HydrophobicContact CE-CD2 3.69Å; M448-Y807 HydrophobicContact CE-CE2 3.68Å; M448-Y807 HydrophobicContact CE-CG 4.24Å; M448-Y807 HydrophobicContact SD-CD2 4.29Å; M448-Y807 HydrophobicContact SD-CE2 3.77Å
449	C	98.6	Very high	98.2	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.02	16%	0.164	C	C	.	.	H	α-helix	trans	-63.2	-44.1	169.9	-73.9	0	0	0	0	112	M445 L452 G453 I454 M456	M445-C449 WeakPolarHBondContact O-CB 3.45Å; M445-C449 PolarHBondContact O-N 3.29Å; M445-C449 PolarHBondContact O-SG 3.04Å; C449-L452 CarbonylContact O-C 3.58Å; C449-L452 PolarHBondContact O-N 3.17Å; C449-G453 CarbonylContact O-C 3.56Å; C449-G453 PolarHBondContact O-N 2.83Å; C449-I454 HydrophobicContact CB-CB 4.05Å; C449-I454 HydrophobicContact CB-CG2 4.28Å; C449-I454 PolarHBondContact O-N 2.84Å; C449-M456 HydrophobicContact CB-CG 4.28Å; C449-M456 HydrophobicContact CB-SD 4.21Å; C449-M456 VanDerWaalsContact SG-SD 3.67Å
450	E	98.3	Very high	98.1	Very high	58 Å²	58	33 Å²	33	27%	0.271	18%	0.181	S	C	.	.	H	α-helix	trans	-59.4	-48.6	173.5	177.4	57.3	-123.3	0	0	111	N264 F267 K321 A446 L447 L452 G453	N264-E450 PolarHBondContact ND2-OE2 3.04Å; F267-E450 HydrophobicContact CE2-CB 4.45Å; F267-E450 HydrophobicContact CE2-CG 3.98Å; F267-E450 HydrophobicContact CZ-CB 3.78Å; F267-E450 HydrophobicContact CZ-CG 3.81Å; K321-E450 WeakPolarHBondContact CE-O 3.2Å; K321-E450 PolarHBondContact NZ-O 3.36Å; K321-E450 IonicContact NZ-OE1 3.52Å; K321-E450 PolarHBondContact NZ-OE1 2.66Å; A446-E450 PolarHBondContact O-N 2.9Å; L447-E450 PolarHBondContact O-N 3.01Å; E450-L452 VanDerWaalsContact C-N 3.27Å; E450-L452 PolarHBondContact O-N 2.82Å; E450-G453 PolarHBondContact O-N 2.96Å
451	Q	98.5	Very high	97.9	Very high	18 Å²	18	41.8 Å²	41.8	8%	0.084	22%	0.222	C	C	.	.	H	α-helix	trans	-54.3	-41.4	177.7	-72.9	172.4	-37.7	0	0	112.3	C320 K321 T362 I364 L447 M448	C320-Q451 HydrophobicContact CB-CG 4.36Å; C320-Q451 WeakPolarHBondContact O-CG 3.38Å; C320-Q451 PolarHBondContact O-NE2 2.69Å; K321-Q451 VanDerWaalsContact CE-O 3.28Å; K321-Q451 WeakPolarHBondContact CE-O 3.24Å; T362-Q451 PolarHBondContact O-NE2 2.89Å; I364-Q451 HydrophobicContact CD1-CB 3.73Å; I364-Q451 HydrophobicContact CG1-CB 3.69Å; L447-Q451 HydrophobicContact CD1-CG 4.48Å; L447-Q451 VanDerWaalsContact O-CG 3.32Å; L447-Q451 WeakPolarHBondContact O-CG 3.44Å; L447-Q451 PolarHBondContact O-N 2.98Å; M448-Q451 PolarHBondContact O-N 2.94Å
452	L	98.1	Very high	97.9	Very high	61 Å²	61	46 Å²	46	32%	0.319	24%	0.236	S	C	.	.	H	α-helix	trans	-84.4	-7.6	177.2	-71.7	165.3	0	0	0	114.9	I364 M448 C449 E450 I454 V580 T583	I364-L452 HydrophobicContact CD1-CD2 3.9Å; I364-L452 HydrophobicContact CD1-CG 3.89Å; I364-L452 HydrophobicContact CG1-CD1 4.26Å; I364-L452 HydrophobicContact CG1-CD2 4.35Å; I364-L452 HydrophobicContact CG1-CG 3.91Å; I364-L452 HydrophobicContact CG2-CD1 4.4Å; M448-L452 WeakPolarHBondContact O-CB 3.42Å; M448-L452 PolarHBondContact O-N 2.98Å; C449-L452 CarbonylContact O-C 3.58Å; C449-L452 PolarHBondContact O-N 3.17Å; E450-L452 VanDerWaalsContact C-N 3.27Å; E450-L452 PolarHBondContact O-N 2.82Å; L452-I454 VanDerWaalsContact C-N 3.26Å; L452-I454 HydrophobicContact CB-CD1 3.56Å; L452-I454 HydrophobicContact CB-CG1 3.8Å; L452-I454 HydrophobicContact CD1-CD1 3.61Å; L452-I454 HydrophobicContact CG-CD1 4.2Å; L452-I454 PolarHBondContact O-N 2.85Å; L452-V580 HydrophobicContact CD1-CG2 4.28Å; L452-T583 HydrophobicContact CD2-CG2 4.26Å
453	G	97.8	Very high	97.8	Very high	58 Å²	58	47.4 Å²	47.4	60%	0.598	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.9	16.6	-172.4	0	0	0	0	0	114.8	C449 E450	C449-G453 CarbonylContact O-C 3.56Å; C449-G453 PolarHBondContact O-N 2.83Å; E450-G453 PolarHBondContact O-N 2.96Å
454	I	97.6	Very high	97.8	Very high	30 Å²	30	48.8 Å²	48.8	15%	0.154	25%	0.254	C	S	.	.			trans	-75.5	134.2	179.6	-67.5	163.7	0	0	0	110.1	C449 L452 L573 V575 T579	C449-I454 HydrophobicContact CB-CB 4.05Å; C449-I454 HydrophobicContact CB-CG2 4.28Å; C449-I454 PolarHBondContact O-N 2.84Å; L452-I454 VanDerWaalsContact C-N 3.26Å; L452-I454 HydrophobicContact CB-CD1 3.56Å; L452-I454 HydrophobicContact CB-CG1 3.8Å; L452-I454 HydrophobicContact CD1-CD1 3.61Å; L452-I454 HydrophobicContact CG-CD1 4.2Å; L452-I454 PolarHBondContact O-N 2.85Å; I454-L573 HydrophobicContact CG2-CD1 3.86Å; I454-V575 HydrophobicContact CD1-CG2 3.9Å; I454-V575 HydrophobicContact CG1-CG2 4.17Å; I454-V575 HydrophobicContact CG2-CG2 3.6Å; I454-T579 HydrophobicContact CD1-CG2 3.99Å
455	K	95.9	Very high	97.8	Very high	183 Å²	183	48.6 Å²	48.6	80%	0.796	25%	0.252	S	S	*	.			trans	-93.5	139	166.8	-64.9	-179.9	-178.3	176.7	0	109.9
456	M	97.8	Very high	97.8	Very high	32 Å²	32	48.4 Å²	48.4	16%	0.158	25%	0.251	C	S	.	.			trans	-105.2	143.9	172.5	-51.1	-179.5	-65.8	0	0	108.5	Y266 V437 C440 A446 C449 T571 L573	Y266-M456 HydrophobicContact CD2-CE 4.23Å; Y266-M456 HydrophobicContact CE2-CE 3.81Å; V437-M456 HydrophobicContact CG2-SD 4.01Å; C440-M456 HydrophobicContact CB-CE 4.22Å; A446-M456 HydrophobicContact CB-CE 3.88Å; C449-M456 HydrophobicContact CB-CG 4.28Å; C449-M456 HydrophobicContact CB-SD 4.21Å; C449-M456 VanDerWaalsContact SG-SD 3.67Å; M456-T571 HydrophobicContact CB-CG2 4.07Å; M456-L573 HydrophobicContact CG-CD1 4.03Å
457	H	98.2	Very high	97.8	Very high	55 Å²	55	49.9 Å²	49.9	26%	0.255	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	127.8	177.6	174.6	53.1	0	0	0	110.6	L459 T571 L572 T574 D677 P700	H457-L459 PolarHBondContact O-N 3.07Å; H457-T571 CarbonylContact O-C 3.59Å; H457-T571 WeakPolarHBondContact O-CA 3.34Å; H457-T571 WeakPolarHBondContact O-CB 3.22Å; H457-L572 HydrophobicContact CB-CB 4.4Å; H457-L572 PolarHBondContact N-O 2.91Å; H457-L572 PolarHBondContact O-N 2.79Å; H457-T574 HydrophobicContact CB-CG2 4.01Å; H457-D677 IonicContact CD2-OD1 2.88Å; H457-D677 IonicContact CE1-OD1 2.71Å; H457-D677 IonicContact NE2-OD1 3.99Å; H457-D677 PolarHBondContact NE2-OD1 3.5Å; H457-D677 IonicContact NE2-OD2 3.12Å; H457-P700 HydrophobicContact CB-CB 4.17Å; H457-P700 HydrophobicContact CB-CG 3.85Å; H457-P700 WeakPolarHBondContact CD2-CG 3.3Å
458	K	98.3	Very high	97.6	Very high	94 Å²	94	53.4 Å²	53.4	41%	0.409	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	123.7	174	171.8	175.4	-178.6	152.9	0	109.3	D569	K458-D569 HydrophobicContact CD-CB 4.25Å; K458-D569 VanDerWaalsContact CD-OD1 3.3Å; K458-D569 WeakPolarHBondContact CD-OD1 3.44Å; K458-D569 WeakPolarHBondContact CE-OD1 3.24Å; K458-D569 HydrophobicContact CG-CB 4.23Å; K458-D569 IonicContact NZ-OD1 3.66Å; K458-D569 PolarHBondContact NZ-OD1 2.89Å
459	L	97.7	Very high	97.5	Very high	24 Å²	24	55.2 Å²	55.2	13%	0.126	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-67.5	130.6	168.8	-65.6	-178.4	0	0	0	110.7	I436 H457 H570 L572 D677 F678	I436-L459 HydrophobicContact CD1-CD1 4.36Å; I436-L459 HydrophobicContact CG1-CD1 4.48Å; I436-L459 HydrophobicContact CG2-CD1 4.23Å; H457-L459 PolarHBondContact O-N 3.07Å; L459-H570 HydrophobicContact CD1-CB 4.5Å; L459-H570 PolarHBondContact N-O 2.87Å; L459-H570 VanDerWaalsContact N-O 3.12Å; L459-L572 HydrophobicContact CD2-CB 4.13Å; L459-D677 WeakPolarHBondContact CA-OD2 3.45Å; L459-D677 HydrophobicContact CD2-CB 4.07Å; L459-F678 HydrophobicContact CB-CE1 4.02Å; L459-F678 HydrophobicContact CD1-CE1 4.31Å; L459-F678 HydrophobicContact CD2-CD1 4.41Å; L459-F678 HydrophobicContact CD2-CE1 4.06Å; L459-F678 HydrophobicContact CG-CE1 4.34Å
460	G	96.3	Very high	97.3	Very high	34 Å²	34	55.4 Å²	55.4	35%	0.351	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-73.3	170.1	172.8	0	0	0	0	0	113.5	D677 F678	G460-D677 PolarHBondContact N-OD2 3.01Å; G460-F678 WeakPolarHBondContact O-CZ 3.4Å
461	E	94.8	Very high	97.3	Very high	184 Å²	184	61.5 Å²	61.5	86%	0.86	32%	0.316	S	S	*	.	S	Bend	trans	-93.6	-12.3	-176.1	-67.8	165.1	-158.7	0	0	113.3
462	R	97.1	Very high	97.3	Very high	99 Å²	99	64.1 Å²	64.1	37%	0.374	33%	0.33	S	S	.	.			trans	-81.3	118.4	-179.7	-178.6	178	177.5	-172	-1.7	110.6	D464 A676	R462-D464 WeakPolarHBondContact CG-OD1 3.39Å; R462-D464 IonicContact CZ-OD1 2.62Å; R462-D464 IonicContact CZ-OD2 2.74Å; R462-D464 IonicContact NE-OD1 2.71Å; R462-D464 PolarHBondContact NE-OD1 2.87Å; R462-D464 IonicContact NE-OD2 3.26Å; R462-D464 PolarHBondContact NE-OD2 3.22Å; R462-D464 IonicContact NH2-OD1 2.74Å; R462-D464 IonicContact NH2-OD2 3.81Å; R462-D464 PolarHBondContact NH2-OD2 2.99Å; R462-A676 HydrophobicContact CB-CB 4.32Å; R462-A676 HydrophobicContact CG-CB 4.16Å
463	C	97.4	Very high	97.3	Very high	36 Å²	36	61.5 Å²	61.5	24%	0.243	32%	0.316	C	S	.	.			trans	-133.8	92.7	169.4	177.9	0	0	0	0	109.1	L465 F678	C463-L465 PolarHBondContact O-N 3.03Å; C463-F678 HydrophobicContact CB-CD2 3.72Å; C463-F678 HydrophobicContact CB-CE2 3.72Å
464	D	98.3	Very high	97.3	Very high	30 Å²	30	62.5 Å²	62.5	16%	0.16	31%	0.308	C	S	.	.			trans	-69	129.2	-179.7	-69.7	16.2	0	0	0	110.2	R462 I466 I472 G680	R462-D464 WeakPolarHBondContact CG-OD1 3.39Å; R462-D464 IonicContact CZ-OD1 2.62Å; R462-D464 IonicContact CZ-OD2 2.74Å; R462-D464 IonicContact NE-OD1 2.71Å; R462-D464 PolarHBondContact NE-OD1 2.87Å; R462-D464 IonicContact NE-OD2 3.26Å; R462-D464 PolarHBondContact NE-OD2 3.22Å; R462-D464 IonicContact NH2-OD1 2.74Å; R462-D464 IonicContact NH2-OD2 3.81Å; R462-D464 PolarHBondContact NH2-OD2 2.99Å; D464-I466 PolarHBondContact O-N 2.89Å; D464-I472 HydrophobicContact CB-CG2 4.09Å; D464-G680 PolarHBondContact O-N 2.95Å
465	L	98.6	Very high	97.3	Very high	7 Å²	7	64.9 Å²	64.9	4%	0.037	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	105	178.2	-56.6	-168.6	0	0	0	110.7	C463 T473 D478 V533 F536 V682	C463-L465 PolarHBondContact O-N 3.03Å; L465-T473 VanDerWaalsContact O-CB 3.26Å; L465-T473 WeakPolarHBondContact O-CB 3.27Å; L465-T473 PolarHBondContact O-N 2.85Å; L465-T473 PolarHBondContact O-OG1 3.34Å; L465-D478 VanDerWaalsContact CD1-OD1 3.31Å; L465-D478 WeakPolarHBondContact CD1-OD1 3.5Å; L465-V533 HydrophobicContact CD1-CG1 3.88Å; L465-F536 HydrophobicContact CD1-CD1 3.83Å; L465-F536 HydrophobicContact CD1-CE1 4.07Å; L465-F536 HydrophobicContact CD2-CD1 3.83Å; L465-F536 HydrophobicContact CD2-CD2 4.41Å; L465-F536 HydrophobicContact CD2-CE1 3.4Å; L465-F536 HydrophobicContact CD2-CE2 4.02Å; L465-F536 HydrophobicContact CD2-CG 4.33Å; L465-F536 HydrophobicContact CD2-CZ 3.51Å; L465-F536 HydrophobicContact CG-CE1 4.4Å; L465-V682 HydrophobicContact CB-CG2 3.74Å
466	I	98.7	Very high	97.4	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	133.8	-173.8	-51.9	173.5	0	0	0	110.5	D464 I472 K672 I673 F679 G680 V682 L738	D464-I466 PolarHBondContact O-N 2.89Å; I466-I472 HydrophobicContact CG1-CG1 4.23Å; I466-K672 HydrophobicContact CD1-CD 3.73Å; I466-K672 HydrophobicContact CG1-CD 4.5Å; I466-I673 HydrophobicContact CD1-CD1 3.62Å; I466-F679 HydrophobicContact CD1-CB 3.99Å; I466-F679 HydrophobicContact CD1-CD2 3.7Å; I466-F679 HydrophobicContact CD1-CE2 4.41Å; I466-F679 HydrophobicContact CD1-CG 4.01Å; I466-G680 PolarHBondContact N-O 2.98Å; I466-V682 PolarHBondContact O-N 3.27Å; I466-L738 HydrophobicContact CB-CD2 4.02Å; I466-L738 HydrophobicContact CG2-CB 4.07Å; I466-L738 HydrophobicContact CG2-CD2 3.82Å; I466-L738 WeakPolarHBondContact CG2-O 3.08Å; I466-L738 WeakPolarHBondContact O-CD2 3.44Å
467	Q	98.1	Very high	97.4	Very high	33 Å²	33	60.3 Å²	60.3	15%	0.154	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	151.7	177.4	-61.4	157.4	33.9	0	0	110.9	G469 G470 R471 T473 L529 V682	Q467-G469 PolarHBondContact O-N 2.84Å; Q467-G470 PolarHBondContact O-N 3.14Å; Q467-R471 HydrophobicContact CB-CB 4.46Å; Q467-R471 WeakPolarHBondContact CB-O 3.43Å; Q467-R471 PolarHBondContact N-O 3.05Å; Q467-T473 PolarHBondContact NE2-OG1 3.36Å; Q467-L529 VanDerWaalsContact CD-CD1 3.48Å; Q467-L529 HydrophobicContact CG-CD1 3.81Å; Q467-V682 HydrophobicContact CG-CB 4.12Å; Q467-V682 HydrophobicContact CG-CG1 4.34Å; Q467-V682 HydrophobicContact CG-CG2 4.22Å
468	E	95.4	Very high	97.4	Very high	83 Å²	83	60 Å²	60	39%	0.388	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	134.6	161.3	-65.7	-174.1	161.6	0	0	110.1	E737	E468-E737 HydrophobicContact CB-CB 3.94Å; E468-E737 HydrophobicContact CG-CB 3.91Å
469	G	95.1	Very high	97.4	Very high	38 Å²	38	62.6 Å²	62.6	39%	0.392	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.4	14	-166.9	0	0	0	0	0	114.4	Q467 R471 E737	Q467-G469 PolarHBondContact O-N 2.84Å; G469-R471 PolarHBondContact O-N 3.3Å; G469-E737 PolarHBondContact N-O 2.74Å
470	G	95.9	Very high	97.4	Very high	7 Å²	7	66.5 Å²	66.5	7%	0.072	34%	0.338	C	S	.	.	S	Bend	trans	82.3	-3.7	164.3	0	0	0	0	0	117.3	Q467 K672 E737 L738 E741	Q467-G470 PolarHBondContact O-N 3.14Å; G470-K672 PolarHBondContact O-NZ 2.84Å; G470-E737 PolarHBondContact N-O 3.16Å; G470-L738 WeakPolarHBondContact CA-O 3.46Å; G470-E741 WeakPolarHBondContact CA-OE2 3.28Å
471	R	97.6	Very high	97.5	Very high	185 Å²	185	64.9 Å²	64.9	70%	0.698	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-79.9	129.2	-175	-65.3	-177.8	-179.6	-179.5	0.2	111.8	Q467 G469	Q467-R471 HydrophobicContact CB-CB 4.46Å; Q467-R471 WeakPolarHBondContact CB-O 3.43Å; Q467-R471 PolarHBondContact N-O 3.05Å; G469-R471 PolarHBondContact O-N 3.3Å
472	I	98.3	Very high	97.7	Very high	74 Å²	74	59.4 Å²	59.4	38%	0.379	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-72.5	138.8	163	-63.4	162.5	0	0	0	108.1	D464 I466 K672	D464-I472 HydrophobicContact CB-CG2 4.09Å; I466-I472 HydrophobicContact CG1-CG1 4.23Å; I472-K672 HydrophobicContact CD1-CG 4Å; I472-K672 HydrophobicContact CG1-CG 4.48Å
473	T	98.4	Very high	97.7	Very high	6 Å²	6	61.1 Å²	61.1	4%	0.037	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-69.1	142	178.8	-58.3	0	0	0	0	111.4	L465 Q467 I477 V533	L465-T473 VanDerWaalsContact O-CB 3.26Å; L465-T473 WeakPolarHBondContact O-CB 3.27Å; L465-T473 PolarHBondContact O-N 2.85Å; L465-T473 PolarHBondContact O-OG1 3.34Å; Q467-T473 PolarHBondContact NE2-OG1 3.36Å; T473-I477 HydrophobicContact CG2-CB 4.07Å; T473-I477 HydrophobicContact CG2-CG2 3.86Å; T473-V533 HydrophobicContact CG2-CG2 4Å
474	D	98.2	Very high	97.8	Very high	78 Å²	78	60.8 Å²	60.8	42%	0.417	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-60.6	128.4	178.3	-171.7	-65.9	0	0	0	110.6	T476 I477 D478	D474-T476 PolarHBondContact O-N 2.85Å; D474-T476 WeakPolarHBondContact OD1-CA 3.23Å; D474-T476 VanDerWaalsContact OD1-CB 3.27Å; D474-T476 WeakPolarHBondContact OD1-CB 3.39Å; D474-T476 WeakPolarHBondContact OD1-CG2 2.83Å; D474-T476 PolarHBondContact OD1-N 3Å; D474-T476 PolarHBondContact OD1-OG1 2.87Å; D474-I477 HydrophobicContact CB-CB 4.35Å; D474-I477 HydrophobicContact CB-CD1 4.06Å; D474-I477 HydrophobicContact CB-CG1 4.13Å; D474-I477 WeakPolarHBondContact O-CA 3.38Å; D474-I477 WeakPolarHBondContact O-CB 3.45Å; D474-I477 PolarHBondContact O-N 3.47Å; D474-D478 PolarHBondContact O-N 3.41Å
475	P	97.3	Very high	97.8	Very high	81 Å²	81	60.4 Å²	60.4	53%	0.526	30%	0.3	S	S	.	.	H	α-helix	trans	-59.4	-13.5	-179.8	-27.4	36.1	0	0	0	115.5	K479	P475-K479 WeakPolarHBondContact O-CB 3.19Å; P475-K479 WeakPolarHBondContact O-CD 3.5Å; P475-K479 VanDerWaalsContact O-CG 3.26Å; P475-K479 WeakPolarHBondContact O-CG 3.45Å; P475-K479 PolarHBondContact O-N 3.26Å
476	T	98.1	Very high	97.8	Very high	87 Å²	87	63.1 Å²	63.1	53%	0.534	31%	0.314	S	S	.	.	H	α-helix	trans	-87.9	-21.7	172.5	70.2	0	0	0	0	113.5	D474 R480	D474-T476 PolarHBondContact O-N 2.85Å; D474-T476 WeakPolarHBondContact OD1-CA 3.23Å; D474-T476 VanDerWaalsContact OD1-CB 3.27Å; D474-T476 WeakPolarHBondContact OD1-CB 3.39Å; D474-T476 WeakPolarHBondContact OD1-CG2 2.83Å; D474-T476 PolarHBondContact OD1-N 3Å; D474-T476 PolarHBondContact OD1-OG1 2.87Å; T476-R480 VanDerWaalsContact O-CB 3.25Å; T476-R480 WeakPolarHBondContact O-CB 3.33Å
477	I	98.4	Very high	97.7	Very high	31 Å²	31	64.7 Å²	64.7	16%	0.159	33%	0.327	C	S	.	.	H	α-helix	trans	-81.3	-49	171	-68.7	176.5	0	0	0	109.3	T473 D474 K479 R480 M481 L529 E530 V533	T473-I477 HydrophobicContact CG2-CB 4.07Å; T473-I477 HydrophobicContact CG2-CG2 3.86Å; D474-I477 HydrophobicContact CB-CB 4.35Å; D474-I477 HydrophobicContact CB-CD1 4.06Å; D474-I477 HydrophobicContact CB-CG1 4.13Å; D474-I477 WeakPolarHBondContact O-CA 3.38Å; D474-I477 WeakPolarHBondContact O-CB 3.45Å; D474-I477 PolarHBondContact O-N 3.47Å; I477-K479 PolarHBondContact O-N 3.44Å; I477-R480 WeakPolarHBondContact O-CB 3.46Å; I477-R480 PolarHBondContact O-N 3.09Å; I477-R480 VanDerWaalsContact O-N 3.1Å; I477-M481 HydrophobicContact CG2-CG 4.48Å; I477-M481 WeakPolarHBondContact O-CG 3.4Å; I477-M481 PolarHBondContact O-N 3.49Å; I477-L529 HydrophobicContact CD1-CD2 3.88Å; I477-L529 HydrophobicContact CG2-CG 4.48Å; I477-E530 HydrophobicContact CG2-CG 3.8Å; I477-V533 HydrophobicContact CG2-CG2 4.43Å
478	D	97.8	Very high	97.8	Very high	50 Å²	50	63.7 Å²	63.7	27%	0.267	32%	0.323	S	S	.	.	H	α-helix	trans	-49.1	-60.6	175.7	173.5	52	0	0	0	111.7	L465 D474 R480 M481 D482	L465-D478 VanDerWaalsContact CD1-OD1 3.31Å; L465-D478 WeakPolarHBondContact CD1-OD1 3.5Å; D474-D478 PolarHBondContact O-N 3.41Å; D478-R480 PolarHBondContact O-N 2.92Å; D478-R480 VanDerWaalsContact O-N 3.16Å; D478-M481 PolarHBondContact O-N 3.03Å; D478-M481 VanDerWaalsContact O-N 3.14Å; D478-D482 PolarHBondContact O-N 3.04Å
479	K	97.6	Very high	97.9	Very high	148 Å²	148	60.9 Å²	60.9	64%	0.643	31%	0.31	S	S	*	.	H	α-helix	trans	-62.3	-24.8	177.9	-68.5	174.8	-175.7	174.6	0	114.7	P475 I477 F483	P475-K479 WeakPolarHBondContact O-CB 3.19Å; P475-K479 WeakPolarHBondContact O-CD 3.5Å; P475-K479 VanDerWaalsContact O-CG 3.26Å; P475-K479 WeakPolarHBondContact O-CG 3.45Å; P475-K479 PolarHBondContact O-N 3.26Å; I477-K479 PolarHBondContact O-N 3.44Å; K479-F483 VanDerWaalsContact O-CB 3.3Å; K479-F483 WeakPolarHBondContact O-CB 3.5Å; K479-F483 PolarHBondContact O-N 3.41Å
480	R	98.1	Very high	98.1	Very high	106 Å²	106	64.5 Å²	64.5	40%	0.4	32%	0.32	S	S	.	.	H	α-helix	trans	-74.7	-43.6	176.3	178.1	-170.6	-56.1	170.7	4.8	110.5	T476 I477 D478 F483 H484 E530	T476-R480 VanDerWaalsContact O-CB 3.25Å; T476-R480 WeakPolarHBondContact O-CB 3.33Å; I477-R480 WeakPolarHBondContact O-CB 3.46Å; I477-R480 PolarHBondContact O-N 3.09Å; I477-R480 VanDerWaalsContact O-N 3.1Å; D478-R480 PolarHBondContact O-N 2.92Å; D478-R480 VanDerWaalsContact O-N 3.16Å; R480-F483 PolarHBondContact O-N 3.37Å; R480-H484 PolarHBondContact O-CD2 3.41Å; R480-H484 PolarHBondContact O-N 2.94Å; R480-E530 WeakPolarHBondContact CD-OE1 3.34Å; R480-E530 IonicContact CZ-OE1 2.6Å; R480-E530 IonicContact NE-OE1 2.73Å; R480-E530 IonicContact NH1-OE1 2.66Å; R480-E530 PolarHBondContact NH1-OE1 3.08Å
481	M	98.4	Very high	98.2	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-78.3	-32.1	-178.1	-59.9	-40.1	-65	0	0	112.6	I477 D478 H484 F485 F526 E530 V533 L534	I477-M481 HydrophobicContact CG2-CG 4.48Å; I477-M481 WeakPolarHBondContact O-CG 3.4Å; I477-M481 PolarHBondContact O-N 3.49Å; D478-M481 PolarHBondContact O-N 3.03Å; D478-M481 VanDerWaalsContact O-N 3.14Å; M481-H484 PolarHBondContact O-N 3.47Å; M481-F485 VanDerWaalsContact O-CB 3.23Å; M481-F485 WeakPolarHBondContact O-CB 3.33Å; M481-F485 PolarHBondContact O-N 3.48Å; M481-F526 HydrophobicContact CE-CD1 3.91Å; M481-F526 HydrophobicContact CE-CD2 4.5Å; M481-F526 HydrophobicContact CE-CE1 3.97Å; M481-F526 HydrophobicContact CE-CG 4.19Å; M481-F526 HydrophobicContact CE-CZ 4.3Å; M481-F526 HydrophobicContact SD-CD1 3.71Å; M481-F526 HydrophobicContact SD-CE1 3.74Å; M481-E530 HydrophobicContact CE-CB 4.14Å; M481-E530 HydrophobicContact CG-CB 3.97Å; M481-E530 HydrophobicContact CG-CG 4Å; M481-E530 HydrophobicContact SD-CB 3.61Å; M481-E530 HydrophobicContact SD-CG 3.75Å; M481-V533 HydrophobicContact CB-CB 4.16Å; M481-V533 HydrophobicContact CB-CG1 3.64Å; M481-V533 HydrophobicContact CG-CB 4.16Å; M481-V533 HydrophobicContact CG-CG1 4.12Å; M481-L534 HydrophobicContact CE-CB 4.06Å
482	D	98.3	Very high	98.2	Very high	69 Å²	69	58.9 Å²	58.9	37%	0.369	31%	0.305	S	S	.	.	H	α-helix	trans	-58.6	-49.1	165.2	177.5	72.9	0	0	0	111.2	D478 H484 F485 N486 H537	D478-D482 PolarHBondContact O-N 3.04Å; D482-H484 PolarHBondContact O-N 2.84Å; D482-F485 PolarHBondContact O-N 3.14Å; D482-N486 VanDerWaalsContact CG-ND2 3.26Å; D482-N486 PolarHBondContact O-N 3.19Å; D482-N486 PolarHBondContact O-ND2 3.43Å; D482-N486 PolarHBondContact OD1-ND2 3.03Å; D482-N486 PolarHBondContact OD2-ND2 3.29Å; D482-H537 PolarHBondContact N-NE2 2.6Å; D482-H537 IonicContact OD1-CE1 3.83Å
483	F	98.3	Very high	98.1	Very high	134 Å²	134	57.3 Å²	57.3	59%	0.588	30%	0.301	S	S	*	.	H	α-helix	trans	-57.9	-46.3	176.7	176.4	-95.2	0	0	0	112.3	K479 R480 A487	K479-F483 VanDerWaalsContact O-CB 3.3Å; K479-F483 WeakPolarHBondContact O-CB 3.5Å; K479-F483 PolarHBondContact O-N 3.41Å; R480-F483 PolarHBondContact O-N 3.37Å; F483-A487 VanDerWaalsContact O-CB 3.23Å; F483-A487 WeakPolarHBondContact O-CB 3.37Å; F483-A487 PolarHBondContact O-N 3.43Å
484	H	98.3	Very high	98.1	Very high	30 Å²	30	62.5 Å²	62.5	14%	0.139	33%	0.325	C	S	.	.	H	α-helix	trans	-68.7	-36.6	178.2	-75.2	-62.3	0	0	0	113.2	R480 M481 D482 A487 I488 F518 F526	R480-H484 PolarHBondContact O-CD2 3.41Å; R480-H484 PolarHBondContact O-N 2.94Å; M481-H484 PolarHBondContact O-N 3.47Å; D482-H484 PolarHBondContact O-N 2.84Å; H484-A487 PolarHBondContact O-N 3.34Å; H484-I488 WeakPolarHBondContact O-CD1 3.25Å; H484-I488 VanDerWaalsContact O-CG1 3.23Å; H484-I488 WeakPolarHBondContact O-CG1 3.47Å; H484-I488 PolarHBondContact O-N 3.06Å; H484-F518 AromaticContact CE1-CE1 3.96Å; H484-F518 AromaticContact CE1-CZ 3.71Å; H484-F518 AromaticContact ND1-CE1 3.87Å; H484-F518 AromaticContact ND1-CZ 3.87Å; H484-F526 AromaticContact CD2-CE1 3.54Å; H484-F526 AromaticContact CD2-CZ 3.44Å; H484-F526 VanDerWaalsContact CD2-CZ 3.44Å; H484-F526 WeakPolarHBondContact CD2-CZ 3.39Å; H484-F526 AromaticContact CE1-CZ 3.96Å; H484-F526 AromaticContact CG-CZ 3.8Å; H484-F526 AromaticContact NE2-CE1 3.72Å; H484-F526 AromaticContact NE2-CZ 3.58Å
485	F	98.6	Very high	98.1	Very high	21 Å²	21	61.3 Å²	61.3	9%	0.092	31%	0.314	C	S	.	.	H	α-helix	trans	-60.7	-51.2	174.3	169.3	-103.7	0	0	0	111.2	M481 D482 A487 I488 L489 L534 H537 L538 L541	M481-F485 VanDerWaalsContact O-CB 3.23Å; M481-F485 WeakPolarHBondContact O-CB 3.33Å; M481-F485 PolarHBondContact O-N 3.48Å; D482-F485 PolarHBondContact O-N 3.14Å; F485-A487 PolarHBondContact O-N 2.7Å; F485-I488 PolarHBondContact O-N 2.86Å; F485-L489 HydrophobicContact CD1-CD1 4.43Å; F485-L489 HydrophobicContact CE1-CD1 3.77Å; F485-L489 HydrophobicContact CE2-CD1 4.37Å; F485-L489 HydrophobicContact CZ-CD1 3.74Å; F485-L489 HydrophobicContact CZ-CG 4.48Å; F485-L489 PolarHBondContact O-N 2.77Å; F485-L534 HydrophobicContact CB-CD1 4.02Å; F485-L534 HydrophobicContact CD2-CD1 4.22Å; F485-H537 HydrophobicContact CB-CB 4.16Å; F485-H537 HydrophobicContact CD1-CB 3.89Å; F485-H537 HydrophobicContact CD2-CB 3.6Å; F485-H537 HydrophobicContact CE1-CB 4.16Å; F485-H537 HydrophobicContact CE2-CB 3.88Å; F485-H537 HydrophobicContact CG-CB 3.6Å; F485-H537 HydrophobicContact CZ-CB 4.15Å; F485-L538 HydrophobicContact CD2-CD2 4.37Å; F485-L538 HydrophobicContact CE2-CD2 4.04Å; F485-L541 HydrophobicContact CE2-CD2 4.26Å; F485-L541 HydrophobicContact CZ-CB 4.32Å; F485-L541 HydrophobicContact CZ-CD2 4.14Å
486	N	98.4	Very high	98.1	Very high	65 Å²	65	59.5 Å²	59.5	35%	0.348	30%	0.297	S	S	.	.	H	α-helix	trans	-65	-40	178.6	-69.2	-60.7	0	0	0	111.8	D482 I488 L489 D490	D482-N486 VanDerWaalsContact CG-ND2 3.26Å; D482-N486 PolarHBondContact O-N 3.19Å; D482-N486 PolarHBondContact O-ND2 3.43Å; D482-N486 PolarHBondContact OD1-ND2 3.03Å; D482-N486 PolarHBondContact OD2-ND2 3.29Å; N486-I488 VanDerWaalsContact C-N 3.28Å; N486-I488 PolarHBondContact O-N 3.05Å; N486-L489 CarbonylContact O-C 3.5Å; N486-L489 WeakPolarHBondContact O-CA 3.45Å; N486-L489 WeakPolarHBondContact O-CB 3.12Å; N486-L489 PolarHBondContact O-N 3.36Å; N486-D490 PolarHBondContact O-N 2.91Å
487	A	98.1	Very high	98	Very high	32 Å²	32	62 Å²	62	26%	0.264	30%	0.301	S	S	.	.	H	α-helix	trans	-63.2	-30.5	175.6	0	0	0	0	0	113.3	F483 H484 F485 V491	F483-A487 VanDerWaalsContact O-CB 3.23Å; F483-A487 WeakPolarHBondContact O-CB 3.37Å; F483-A487 PolarHBondContact O-N 3.43Å; H484-A487 PolarHBondContact O-N 3.34Å; F485-A487 PolarHBondContact O-N 2.7Å; A487-V491 WeakPolarHBondContact O-CG2 3.41Å; A487-V491 PolarHBondContact O-N 3.47Å
488	I	98.3	Very high	97.8	Very high	13 Å²	13	66.1 Å²	66.1	7%	0.067	32%	0.323	C	S	.	.	H	α-helix	trans	-68.7	-41.7	171.1	-66.7	158.8	0	0	0	110.1	H484 F485 N486 D490 V491 V492 I511 I514 Y515	H484-I488 WeakPolarHBondContact O-CD1 3.25Å; H484-I488 VanDerWaalsContact O-CG1 3.23Å; H484-I488 WeakPolarHBondContact O-CG1 3.47Å; H484-I488 PolarHBondContact O-N 3.06Å; F485-I488 PolarHBondContact O-N 2.86Å; N486-I488 VanDerWaalsContact C-N 3.28Å; N486-I488 PolarHBondContact O-N 3.05Å; I488-D490 VanDerWaalsContact C-N 3.35Å; I488-D490 PolarHBondContact O-N 3.33Å; I488-V491 PolarHBondContact O-N 3.02Å; I488-V492 WeakPolarHBondContact O-CG2 3.24Å; I488-V492 PolarHBondContact O-N 2.74Å; I488-I511 HydrophobicContact CG2-CB 4.24Å; I488-I511 HydrophobicContact CG2-CG1 4.07Å; I488-I511 HydrophobicContact CG2-CG2 4.11Å; I488-I514 HydrophobicContact CB-CG2 4.48Å; I488-I514 HydrophobicContact CG1-CG2 4.31Å; I488-I514 HydrophobicContact CG2-CB 4.18Å; I488-I514 HydrophobicContact CG2-CG2 3.97Å; I488-Y515 HydrophobicContact CD1-CD2 3.94Å
489	L	98.4	Very high	97.8	Very high	23 Å²	23	66 Å²	66	12%	0.12	32%	0.32	C	S	.	.	H	α-helix	trans	-64	-36.2	175.8	-64.3	-179.7	0	0	0	112.6	F485 N486 V491 V492 S493 I511 L541 W557	F485-L489 HydrophobicContact CD1-CD1 4.43Å; F485-L489 HydrophobicContact CE1-CD1 3.77Å; F485-L489 HydrophobicContact CE2-CD1 4.37Å; F485-L489 HydrophobicContact CZ-CD1 3.74Å; F485-L489 HydrophobicContact CZ-CG 4.48Å; F485-L489 PolarHBondContact O-N 2.77Å; N486-L489 CarbonylContact O-C 3.5Å; N486-L489 WeakPolarHBondContact O-CA 3.45Å; N486-L489 WeakPolarHBondContact O-CB 3.12Å; N486-L489 PolarHBondContact O-N 3.36Å; L489-V491 VanDerWaalsContact C-N 3.33Å; L489-V491 PolarHBondContact O-N 3.2Å; L489-V492 WeakPolarHBondContact O-CB 3.48Å; L489-V492 PolarHBondContact O-N 2.9Å; L489-S493 VanDerWaalsContact O-CB 3.31Å; L489-S493 WeakPolarHBondContact O-CB 3.39Å; L489-S493 PolarHBondContact O-N 2.94Å; L489-I511 HydrophobicContact CD2-CD1 4.01Å; L489-I511 HydrophobicContact CD2-CG1 4.44Å; L489-L541 HydrophobicContact CD2-CD2 4.28Å; L489-W557 HydrophobicContact CD1-CH2 4.22Å; L489-W557 HydrophobicContact CD1-CZ2 4.29Å; L489-W557 HydrophobicContact CD2-CZ2 4.3Å
490	D	98.4	Very high	97.7	Very high	114 Å²	114	62.3 Å²	62.3	61%	0.61	31%	0.31	S	S	*	.	H	α-helix	trans	-57.9	-44.4	170.6	-80.1	-35	0	0	0	111.6	N486 I488 S493 E494	N486-D490 PolarHBondContact O-N 2.91Å; I488-D490 VanDerWaalsContact C-N 3.35Å; I488-D490 PolarHBondContact O-N 3.33Å; D490-S493 CarbonylContact O-C 3.53Å; D490-S493 WeakPolarHBondContact O-CA 3.44Å; D490-S493 WeakPolarHBondContact O-CB 3.4Å; D490-S493 PolarHBondContact O-N 2.84Å; D490-S493 VanDerWaalsContact O-N 3.14Å; D490-E494 PolarHBondContact O-N 2.95Å
491	V	98.1	Very high	97.6	Very high	74 Å²	74	61.3 Å²	61.3	45%	0.448	31%	0.31	S	S	.	.	H	α-helix	trans	-70.8	-34.3	178.1	178.8	0	0	0	0	112.1	A487 I488 L489 S493 E494 W495 I514	A487-V491 WeakPolarHBondContact O-CG2 3.41Å; A487-V491 PolarHBondContact O-N 3.47Å; I488-V491 PolarHBondContact O-N 3.02Å; L489-V491 VanDerWaalsContact C-N 3.33Å; L489-V491 PolarHBondContact O-N 3.2Å; V491-S493 VanDerWaalsContact C-N 3.28Å; V491-S493 PolarHBondContact O-N 3.33Å; V491-E494 PolarHBondContact O-N 3.37Å; V491-W495 VanDerWaalsContact O-CB 3.28Å; V491-W495 WeakPolarHBondContact O-CB 3.35Å; V491-W495 PolarHBondContact O-N 3.45Å; V491-I514 HydrophobicContact CB-CD1 4.14Å; V491-I514 HydrophobicContact CB-CG2 4.06Å; V491-I514 HydrophobicContact CG1-CD1 3.77Å; V491-I514 HydrophobicContact CG1-CG1 3.98Å; V491-I514 HydrophobicContact CG1-CG2 3.89Å
492	V	98.3	Very high	97.4	Very high	1 Å²	1	69.7 Å²	69.7	1%	0.006	35%	0.349	C	S	.	.	H	α-helix	trans	-59.5	-43.2	167.3	176.5	0	0	0	0	110	I488 L489 W495 R496 L507 K510 I511 I514 A554	I488-V492 WeakPolarHBondContact O-CG2 3.24Å; I488-V492 PolarHBondContact O-N 2.74Å; L489-V492 WeakPolarHBondContact O-CB 3.48Å; L489-V492 PolarHBondContact O-N 2.9Å; V492-W495 PolarHBondContact O-N 3.06Å; V492-R496 WeakPolarHBondContact O-CG 3.39Å; V492-R496 PolarHBondContact O-N 2.77Å; V492-L507 HydrophobicContact CG1-CD1 3.89Å; V492-L507 HydrophobicContact CG2-CD1 4.4Å; V492-K510 HydrophobicContact CG1-CG 4.49Å; V492-K510 HydrophobicContact CG2-CG 4.08Å; V492-I511 HydrophobicContact CG2-CG1 4.12Å; V492-I514 HydrophobicContact CB-CD1 4.41Å; V492-I514 HydrophobicContact CG2-CD1 3.59Å; V492-A554 HydrophobicContact CG1-CB 4.45Å
493	S	97.1	Very high	97.3	Very high	40 Å²	40	72 Å²	72	28%	0.28	36%	0.357	S	S	.	.	H	α-helix	trans	-69	-32.9	-177.7	-159.5	0	0	0	0	112.9	L489 D490 V491 R496 K497	L489-S493 VanDerWaalsContact O-CB 3.31Å; L489-S493 WeakPolarHBondContact O-CB 3.39Å; L489-S493 PolarHBondContact O-N 2.94Å; D490-S493 CarbonylContact O-C 3.53Å; D490-S493 WeakPolarHBondContact O-CA 3.44Å; D490-S493 WeakPolarHBondContact O-CB 3.4Å; D490-S493 PolarHBondContact O-N 2.84Å; D490-S493 VanDerWaalsContact O-N 3.14Å; V491-S493 VanDerWaalsContact C-N 3.28Å; V491-S493 PolarHBondContact O-N 3.33Å; S493-R496 VanDerWaalsContact O-CG 3.27Å; S493-R496 WeakPolarHBondContact O-CG 3.14Å; S493-R496 PolarHBondContact OG-NE 3.06Å; S493-R496 PolarHBondContact OG-NH2 2.89Å; S493-K497 WeakPolarHBondContact O-CG 3.26Å
494	E	98.1	Very high	97.3	Very high	115 Å²	115	66.5 Å²	66.5	54%	0.537	33%	0.333	S	S	.	.	H	α-helix	trans	-69.6	-50	168.8	-165.7	64.5	-123.3	0	0	111.3	D490 V491 R496 K497	D490-E494 PolarHBondContact O-N 2.95Å; V491-E494 PolarHBondContact O-N 3.37Å; E494-R496 PolarHBondContact O-N 3.04Å; E494-R496 VanDerWaalsContact O-N 3.14Å; E494-K497 PolarHBondContact O-N 3.11Å; E494-K497 WeakPolarHBondContact OE1-CD 3.5Å; E494-K497 WeakPolarHBondContact OE1-CE 3.3Å; E494-K497 IonicContact OE1-NZ 3.58Å; E494-K497 PolarHBondContact OE1-NZ 3.37Å; E494-K497 IonicContact OE2-NZ 2.68Å; E494-K497 PolarHBondContact OE2-NZ 3.45Å
495	W	98.1	Very high	97.3	Very high	53 Å²	53	67 Å²	67	20%	0.201	34%	0.338	C	S	.	.	H	α-helix	trans	-55.5	-34.1	-177	164.9	87	0	0	0	113.5	V491 V492 K499 V505 K510 A554 R555	V491-W495 VanDerWaalsContact O-CB 3.28Å; V491-W495 WeakPolarHBondContact O-CB 3.35Å; V491-W495 PolarHBondContact O-N 3.45Å; V492-W495 PolarHBondContact O-N 3.06Å; W495-K499 HydrophobicContact CH2-CG 4.26Å; W495-K499 HydrophobicContact CZ2-CD 4.42Å; W495-K499 HydrophobicContact CZ2-CG 4.07Å; W495-K499 WeakPolarHBondContact O-CE 3.35Å; W495-K499 VanDerWaalsContact O-CG 3.26Å; W495-K499 WeakPolarHBondContact O-CG 3.38Å; W495-K499 PolarHBondContact O-NZ 3.19Å; W495-V505 HydrophobicContact CH2-CG2 3.78Å; W495-V505 HydrophobicContact CZ2-CG2 4.09Å; W495-V505 HydrophobicContact CZ3-CG2 4.43Å; W495-K510 HydrophobicContact CD2-CD 4Å; W495-K510 HydrophobicContact CD2-CG 4.27Å; W495-K510 VanDerWaalsContact CE2-CE 3.48Å; W495-K510 HydrophobicContact CE3-CD 4.41Å; W495-K510 HydrophobicContact CE3-CG 4.19Å; W495-K510 HydrophobicContact CG-CD 4.15Å; W495-A554 HydrophobicContact CH2-CB 4.37Å; W495-A554 HydrophobicContact CZ3-CB 3.76Å; W495-R555 HydrophobicContact CH2-CG 4.34Å; W495-R555 HydrophobicContact CZ3-CG 4.06Å
496	R	97.4	Very high	97.3	Very high	44 Å²	44	66.8 Å²	66.8	17%	0.166	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-15.8	-174.3	62.9	175.2	172.6	-176.2	-14.4	115.8	V492 S493 E494 D498 K499 R555 D558	V492-R496 WeakPolarHBondContact O-CG 3.39Å; V492-R496 PolarHBondContact O-N 2.77Å; S493-R496 VanDerWaalsContact O-CG 3.27Å; S493-R496 WeakPolarHBondContact O-CG 3.14Å; S493-R496 PolarHBondContact OG-NE 3.06Å; S493-R496 PolarHBondContact OG-NH2 2.89Å; E494-R496 PolarHBondContact O-N 3.04Å; E494-R496 VanDerWaalsContact O-N 3.14Å; R496-D498 VanDerWaalsContact C-N 3.28Å; R496-D498 PolarHBondContact O-N 3.22Å; R496-D498 VanDerWaalsContact O-N 3.17Å; R496-K499 WeakPolarHBondContact O-CB 3.36Å; R496-K499 PolarHBondContact O-N 2.81Å; R496-R555 HydrophobicContact CB-CB 4.48Å; R496-R555 HydrophobicContact CB-CG 4.01Å; R496-R555 WeakPolarHBondContact CD-O 3.43Å; R496-R555 PolarHBondContact NH1-O 3.4Å; R496-D558 IonicContact CZ-OD1 3.77Å; R496-D558 IonicContact CZ-OD2 2.7Å; R496-D558 VanDerWaalsContact NH1-CG 3.33Å; R496-D558 IonicContact NH1-OD1 2.97Å; R496-D558 PolarHBondContact NH1-OD1 3.05Å; R496-D558 IonicContact NH1-OD2 2.67Å; R496-D558 PolarHBondContact NH1-OD2 3.13Å; R496-D558 IonicContact NH2-OD1 3.7Å; R496-D558 IonicContact NH2-OD2 3.52Å; R496-D558 PolarHBondContact NH2-OD2 2.91Å
497	K	96.3	Very high	97.3	Very high	140 Å²	140	63.7 Å²	63.7	61%	0.609	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-35.6	-164.9	-69.6	179.6	-174.8	167.1	0	114.6	S493 E494	S493-K497 WeakPolarHBondContact O-CG 3.26Å; E494-K497 PolarHBondContact O-N 3.11Å; E494-K497 WeakPolarHBondContact OE1-CD 3.5Å; E494-K497 WeakPolarHBondContact OE1-CE 3.3Å; E494-K497 IonicContact OE1-NZ 3.58Å; E494-K497 PolarHBondContact OE1-NZ 3.37Å; E494-K497 IonicContact OE2-NZ 2.68Å; E494-K497 PolarHBondContact OE2-NZ 3.45Å
498	D	94.5	Very high	97.4	Very high	116 Å²	116	63.1 Å²	63.1	62%	0.62	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-0.6	179.9	62	-57.4	0	0	0	113.5	R496	R496-D498 VanDerWaalsContact C-N 3.28Å; R496-D498 PolarHBondContact O-N 3.22Å; R496-D498 VanDerWaalsContact O-N 3.17Å
499	K	96.6	Very high	97.4	Very high	48 Å²	48	67.8 Å²	67.8	21%	0.209	34%	0.342	C	S	.	.			trans	-89.2	134	-171.6	-53.1	-59.7	-175.6	-69.6	0	111.6	W495 R496 H503 R555	W495-K499 HydrophobicContact CH2-CG 4.26Å; W495-K499 HydrophobicContact CZ2-CD 4.42Å; W495-K499 HydrophobicContact CZ2-CG 4.07Å; W495-K499 WeakPolarHBondContact O-CE 3.35Å; W495-K499 VanDerWaalsContact O-CG 3.26Å; W495-K499 WeakPolarHBondContact O-CG 3.38Å; W495-K499 PolarHBondContact O-NZ 3.19Å; R496-K499 WeakPolarHBondContact O-CB 3.36Å; R496-K499 PolarHBondContact O-N 2.81Å; K499-H503 HydrophobicContact CB-CB 4.31Å; K499-H503 HydrophobicContact CD-CB 4.35Å; K499-R555 HydrophobicContact CB-CG 4.29Å; K499-R555 VanDerWaalsContact O-CZ 3.28Å; K499-R555 PolarHBondContact O-NE 3.42Å; K499-R555 PolarHBondContact O-NH2 3.19Å
500	T	96.6	Very high	97.4	Very high	70 Å²	70	67.2 Å²	67.2	43%	0.429	34%	0.338	S	S	.	.			trans	-90	171.4	170.7	68.5	0	0	0	0	111.4	H502 H503 D504 R555	T500-H502 PolarHBondContact O-N 3.02Å; T500-H503 CarbonylContact O-C 3.1Å; T500-H503 WeakPolarHBondContact O-CA 3.35Å; T500-H503 PolarHBondContact O-N 3.38Å; T500-H503 PolarHBondContact OG1-ND1 3.41Å; T500-D504 PolarHBondContact O-N 3.09Å; T500-R555 WeakPolarHBondContact O-CD 3.42Å; T500-R555 PolarHBondContact O-NE 2.91Å
501	Q	94.3	Very high	97.4	Very high	86 Å²	86	62.4 Å²	62.4	40%	0.402	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-55.1	-34.6	178.8	-70.4	176.7	-55.1	0	0	113.6	H503 D504 G772 S773	Q501-H503 PolarHBondContact O-N 3.39Å; Q501-D504 WeakPolarHBondContact O-CB 3.15Å; Q501-D504 PolarHBondContact O-N 2.89Å; Q501-G772 PolarHBondContact NE2-O 2.87Å; Q501-S773 VanDerWaalsContact NE2-CB 3.31Å
502	H	94.3	Very high	97.4	Very high	176 Å²	176	64.1 Å²	64.1	82%	0.815	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-70.8	-10.8	177	-55.9	-56	0	0	0	114.1	T500	T500-H502 PolarHBondContact O-N 3.02Å
503	H	96.8	Very high	97.4	Very high	118 Å²	118	69 Å²	69	55%	0.546	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-113.9	15.6	176.7	-55.4	94.5	0	0	0	111.8	K499 T500 Q501	K499-H503 HydrophobicContact CB-CB 4.31Å; K499-H503 HydrophobicContact CD-CB 4.35Å; T500-H503 CarbonylContact O-C 3.1Å; T500-H503 WeakPolarHBondContact O-CA 3.35Å; T500-H503 PolarHBondContact O-N 3.38Å; T500-H503 PolarHBondContact OG1-ND1 3.41Å; Q501-H503 PolarHBondContact O-N 3.39Å
504	D	98.4	Very high	97.4	Very high	17 Å²	17	68.2 Å²	68.2	9%	0.091	33%	0.33	C	S	.	.			trans	-73.1	148.2	172.6	-161	24.5	0	0	0	111	T500 Q501 S553 A554 R555 T770 G771	T500-D504 PolarHBondContact O-N 3.09Å; Q501-D504 WeakPolarHBondContact O-CB 3.15Å; Q501-D504 PolarHBondContact O-N 2.89Å; D504-S553 VanDerWaalsContact CG-OG 3.25Å; D504-S553 PolarHBondContact OD1-OG 2.97Å; D504-S553 WeakPolarHBondContact OD2-CB 3.32Å; D504-S553 PolarHBondContact OD2-OG 2.73Å; D504-A554 PolarHBondContact OD1-N 2.84Å; D504-R555 HydrophobicContact CB-CG 4.31Å; D504-R555 WeakPolarHBondContact OD1-CB 2.99Å; D504-R555 WeakPolarHBondContact OD1-CD 3.1Å; D504-R555 WeakPolarHBondContact OD1-CG 3.21Å; D504-R555 PolarHBondContact OD1-N 2.83Å; D504-T770 HydrophobicContact CB-CG2 4.3Å; D504-T770 WeakPolarHBondContact OD2-CA 3.42Å; D504-G771 PolarHBondContact OD2-N 3.48Å
505	V	98.6	Very high	97.4	Very high	40 Å²	40	64 Å²	64	24%	0.242	31%	0.31	C	S	.	.			trans	-135.4	165.8	174.7	-55.7	0	0	0	0	109	W495 K510 A554 T770	W495-V505 HydrophobicContact CH2-CG2 3.78Å; W495-V505 HydrophobicContact CZ2-CG2 4.09Å; W495-V505 HydrophobicContact CZ3-CG2 4.43Å; V505-K510 HydrophobicContact CG2-CB 3.98Å; V505-A554 HydrophobicContact CG2-CB 4.08Å; V505-A554 WeakPolarHBondContact O-CB 3.1Å; V505-A554 PolarHBondContact O-N 3.28Å; V505-T770 VanDerWaalsContact C-CG2 3.43Å
506	P	98.8	Very high	97.3	Very high	17 Å²	17	67 Å²	67	11%	0.11	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-63	138.3	173.9	-23.5	35.8	0	0	0	113.4	G508 E509 K510 S550 V552 T770	P506-G508 VanDerWaalsContact C-N 3.28Å; P506-G508 PolarHBondContact O-N 3.49Å; P506-E509 HydrophobicContact CB-CB 4.23Å; P506-E509 HydrophobicContact CB-CG 4.03Å; P506-E509 WeakPolarHBondContact CD-OE2 3.5Å; P506-E509 HydrophobicContact CG-CG 4.18Å; P506-E509 PolarHBondContact O-N 3.42Å; P506-E509 VanDerWaalsContact O-N 3.14Å; P506-K510 PolarHBondContact O-N 3.14Å; P506-S550 WeakPolarHBondContact CB-O 3.28Å; P506-S550 WeakPolarHBondContact CG-O 3.37Å; P506-V552 CarbonylContact C-O 3.57Å; P506-V552 WeakPolarHBondContact CA-O 3.12Å; P506-T770 HydrophobicContact CG-CG2 4.32Å
507	L	98.8	Very high	97.3	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-57.3	-42	178.9	-179.7	56.9	0	0	0	111.7	V492 E509 K510 I511 L541 L549 V552 A554 W557	V492-L507 HydrophobicContact CG1-CD1 3.89Å; V492-L507 HydrophobicContact CG2-CD1 4.4Å; L507-E509 PolarHBondContact O-N 3.46Å; L507-K510 PolarHBondContact O-N 3.39Å; L507-I511 HydrophobicContact CD1-CD1 3.88Å; L507-I511 HydrophobicContact CD1-CG1 4.18Å; L507-I511 HydrophobicContact CG-CD1 3.83Å; L507-I511 WeakPolarHBondContact O-CB 3.48Å; L507-I511 VanDerWaalsContact O-CG1 3.23Å; L507-I511 WeakPolarHBondContact O-CG1 3.41Å; L507-I511 PolarHBondContact O-N 2.88Å; L507-L541 HydrophobicContact CD2-CD2 4Å; L507-L549 PolarHBondContact N-O 2.91Å; L507-V552 HydrophobicContact CB-CB 4.33Å; L507-V552 HydrophobicContact CD2-CG1 4.26Å; L507-V552 PolarHBondContact N-O 3.3Å; L507-A554 HydrophobicContact CB-CB 4.46Å; L507-W557 HydrophobicContact CD2-CB 3.81Å; L507-W557 HydrophobicContact CD2-CD2 3.95Å; L507-W557 HydrophobicContact CD2-CG 3.58Å
508	G	98.4	Very high	97.3	Very high	20 Å²	20	64.3 Å²	64.3	21%	0.206	32%	0.324	C	S	.	.	H	α-helix	trans	-64.8	-35.8	177.8	0	0	0	0	0	113.8	P506 Q512 L549	P506-G508 VanDerWaalsContact C-N 3.28Å; P506-G508 PolarHBondContact O-N 3.49Å; G508-Q512 WeakPolarHBondContact O-CB 3.16Å; G508-Q512 PolarHBondContact O-N 3.02Å; G508-Q512 VanDerWaalsContact O-N 3.11Å; G508-L549 PolarHBondContact N-O 3.46Å
509	E	98.3	Very high	97.5	Very high	112 Å²	112	61 Å²	61	52%	0.523	31%	0.306	S	S	.	.	H	α-helix	trans	-70	-45.9	175.6	-69.6	-180	-170	0	0	110.8	P506 L507 I511 Q512 E513	P506-E509 HydrophobicContact CB-CB 4.23Å; P506-E509 HydrophobicContact CB-CG 4.03Å; P506-E509 WeakPolarHBondContact CD-OE2 3.5Å; P506-E509 HydrophobicContact CG-CG 4.18Å; P506-E509 PolarHBondContact O-N 3.42Å; P506-E509 VanDerWaalsContact O-N 3.14Å; L507-E509 PolarHBondContact O-N 3.46Å; E509-I511 PolarHBondContact O-N 3.45Å; E509-Q512 PolarHBondContact O-N 3.4Å; E509-E513 WeakPolarHBondContact O-CB 3.46Å; E509-E513 PolarHBondContact O-N 2.88Å
510	K	98.6	Very high	97.5	Very high	11 Å²	11	66.9 Å²	66.9	5%	0.048	33%	0.334	C	S	.	.	H	α-helix	trans	-64	-40.9	178.8	-170.7	53.7	58	-168.7	0	112.3	V492 W495 V505 P506 L507 E513 I514 A554	V492-K510 HydrophobicContact CG1-CG 4.49Å; V492-K510 HydrophobicContact CG2-CG 4.08Å; W495-K510 HydrophobicContact CD2-CD 4Å; W495-K510 HydrophobicContact CD2-CG 4.27Å; W495-K510 VanDerWaalsContact CE2-CE 3.48Å; W495-K510 HydrophobicContact CE3-CD 4.41Å; W495-K510 HydrophobicContact CE3-CG 4.19Å; W495-K510 HydrophobicContact CG-CD 4.15Å; V505-K510 HydrophobicContact CG2-CB 3.98Å; P506-K510 PolarHBondContact O-N 3.14Å; L507-K510 PolarHBondContact O-N 3.39Å; K510-E513 IonicContact NZ-OE1 3.7Å; K510-E513 PolarHBondContact NZ-OE1 3.32Å; K510-E513 IonicContact NZ-OE2 2.75Å; K510-E513 PolarHBondContact NZ-OE2 3.11Å; K510-E513 PolarHBondContact O-N 3.32Å; K510-I514 HydrophobicContact CD-CD1 3.98Å; K510-I514 HydrophobicContact CD-CG1 4.24Å; K510-I514 HydrophobicContact CG-CD1 3.83Å; K510-I514 WeakPolarHBondContact O-CB 3.42Å; K510-I514 WeakPolarHBondContact O-CD1 3.22Å; K510-I514 VanDerWaalsContact O-CG1 3.29Å; K510-I514 WeakPolarHBondContact O-CG1 3.24Å; K510-I514 PolarHBondContact O-N 3.34Å; K510-A554 HydrophobicContact CB-CB 4.23Å
511	I	98.6	Very high	97.5	Very high	12 Å²	12	71.9 Å²	71.9	6%	0.062	35%	0.352	C	S	.	.	H	α-helix	trans	-57.9	-47.7	172.1	-75.1	170.1	0	0	0	110.5	I488 L489 V492 L507 E509 E513 I514 Y515 L538 L541 L549	I488-I511 HydrophobicContact CG2-CB 4.24Å; I488-I511 HydrophobicContact CG2-CG1 4.07Å; I488-I511 HydrophobicContact CG2-CG2 4.11Å; L489-I511 HydrophobicContact CD2-CD1 4.01Å; L489-I511 HydrophobicContact CD2-CG1 4.44Å; V492-I511 HydrophobicContact CG2-CG1 4.12Å; L507-I511 HydrophobicContact CD1-CD1 3.88Å; L507-I511 HydrophobicContact CD1-CG1 4.18Å; L507-I511 HydrophobicContact CG-CD1 3.83Å; L507-I511 WeakPolarHBondContact O-CB 3.48Å; L507-I511 VanDerWaalsContact O-CG1 3.23Å; L507-I511 WeakPolarHBondContact O-CG1 3.41Å; L507-I511 PolarHBondContact O-N 2.88Å; E509-I511 PolarHBondContact O-N 3.45Å; I511-E513 PolarHBondContact O-N 3.18Å; I511-I514 PolarHBondContact O-N 3.38Å; I511-Y515 VanDerWaalsContact O-CB 3.27Å; I511-Y515 WeakPolarHBondContact O-CB 3.47Å; I511-Y515 PolarHBondContact O-N 2.88Å; I511-L538 HydrophobicContact CD1-CD2 4.08Å; I511-L538 HydrophobicContact CG2-CD2 3.88Å; I511-L541 HydrophobicContact CD1-CD2 4.15Å; I511-L549 HydrophobicContact CD1-CD1 4.2Å
512	Q	97.9	Very high	97.5	Very high	110 Å²	110	70.7 Å²	70.7	51%	0.514	35%	0.353	S	S	.	.	H	α-helix	trans	-69.4	-34	-178.1	-157.3	-166.4	50	0	0	112.8	G508 E509 K516	G508-Q512 WeakPolarHBondContact O-CB 3.16Å; G508-Q512 PolarHBondContact O-N 3.02Å; G508-Q512 VanDerWaalsContact O-N 3.11Å; E509-Q512 PolarHBondContact O-N 3.4Å; Q512-K516 HydrophobicContact CG-CD 4.34Å; Q512-K516 WeakPolarHBondContact O-CB 3.47Å; Q512-K516 WeakPolarHBondContact O-CD 3.23Å; Q512-K516 VanDerWaalsContact O-CG 3.28Å; Q512-K516 WeakPolarHBondContact O-CG 3.43Å; Q512-K516 PolarHBondContact O-N 3.35Å
513	E	98.2	Very high	97.5	Very high	105 Å²	105	65.1 Å²	65.1	49%	0.491	34%	0.344	S	S	.	.	H	α-helix	trans	-62.3	-53.4	172.9	-178.5	-169	120.6	0	0	111.2	E509 K510 I511 Y515 K516 A517	E509-E513 WeakPolarHBondContact O-CB 3.46Å; E509-E513 PolarHBondContact O-N 2.88Å; K510-E513 IonicContact NZ-OE1 3.7Å; K510-E513 PolarHBondContact NZ-OE1 3.32Å; K510-E513 IonicContact NZ-OE2 2.75Å; K510-E513 PolarHBondContact NZ-OE2 3.11Å; K510-E513 PolarHBondContact O-N 3.32Å; I511-E513 PolarHBondContact O-N 3.18Å; E513-Y515 VanDerWaalsContact C-N 3.33Å; E513-Y515 PolarHBondContact O-N 3.39Å; E513-K516 PolarHBondContact O-N 2.93Å; E513-A517 WeakPolarHBondContact O-CB 3.44Å; E513-A517 PolarHBondContact O-N 3.06Å
514	I	98.1	Very high	97.5	Very high	23 Å²	23	62.4 Å²	62.4	12%	0.118	33%	0.333	C	S	.	.	H	α-helix	trans	-60.8	-43.5	178.8	-68	162.6	0	0	0	110.5	I488 V491 V492 K510 I511 A517 F518	I488-I514 HydrophobicContact CB-CG2 4.48Å; I488-I514 HydrophobicContact CG1-CG2 4.31Å; I488-I514 HydrophobicContact CG2-CB 4.18Å; I488-I514 HydrophobicContact CG2-CG2 3.97Å; V491-I514 HydrophobicContact CB-CD1 4.14Å; V491-I514 HydrophobicContact CB-CG2 4.06Å; V491-I514 HydrophobicContact CG1-CD1 3.77Å; V491-I514 HydrophobicContact CG1-CG1 3.98Å; V491-I514 HydrophobicContact CG1-CG2 3.89Å; V492-I514 HydrophobicContact CB-CD1 4.41Å; V492-I514 HydrophobicContact CG2-CD1 3.59Å; K510-I514 HydrophobicContact CD-CD1 3.98Å; K510-I514 HydrophobicContact CD-CG1 4.24Å; K510-I514 HydrophobicContact CG-CD1 3.83Å; K510-I514 WeakPolarHBondContact O-CB 3.42Å; K510-I514 WeakPolarHBondContact O-CD1 3.22Å; K510-I514 VanDerWaalsContact O-CG1 3.29Å; K510-I514 WeakPolarHBondContact O-CG1 3.24Å; K510-I514 PolarHBondContact O-N 3.34Å; I511-I514 PolarHBondContact O-N 3.38Å; I514-A517 PolarHBondContact O-N 2.97Å; I514-F518 WeakPolarHBondContact O-CB 3.34Å; I514-F518 PolarHBondContact O-N 3.24Å
515	Y	97.6	Very high	97.3	Very high	26 Å²	26	70.2 Å²	70.2	10%	0.102	37%	0.369	C	S	.	.	H	α-helix	trans	-59	-51.2	177.8	-178.2	-116	0	0	0	111.9	I488 I511 E513 A517 F518 I519 F526 E531 L534	I488-Y515 HydrophobicContact CD1-CD2 3.94Å; I511-Y515 VanDerWaalsContact O-CB 3.27Å; I511-Y515 WeakPolarHBondContact O-CB 3.47Å; I511-Y515 PolarHBondContact O-N 2.88Å; E513-Y515 VanDerWaalsContact C-N 3.33Å; E513-Y515 PolarHBondContact O-N 3.39Å; Y515-A517 VanDerWaalsContact C-N 3.33Å; Y515-A517 PolarHBondContact O-N 3.45Å; Y515-F518 PolarHBondContact O-N 3.43Å; Y515-I519 HydrophobicContact CD2-CG1 4.5Å; Y515-I519 HydrophobicContact CE1-CG1 4.31Å; Y515-I519 HydrophobicContact CE2-CD1 4.02Å; Y515-I519 HydrophobicContact CE2-CG1 4.16Å; Y515-I519 WeakPolarHBondContact O-CG1 3.43Å; Y515-I519 PolarHBondContact O-N 3.04Å; Y515-F526 AromaticContact CE2-CD2 4Å; Y515-F526 HydrophobicContact CE2-CD2 4Å; Y515-F526 AromaticContact CE2-CE2 3.9Å; Y515-F526 HydrophobicContact CE2-CE2 3.9Å; Y515-F526 VanDerWaalsContact OH-CD2 3.31Å; Y515-F526 WeakPolarHBondContact OH-CD2 3.22Å; Y515-E531 WeakPolarHBondContact CE1-OE1 3.35Å; Y515-E531 PolarHBondContact OH-OE1 2.81Å; Y515-E531 PolarHBondContact OH-OE2 2.93Å; Y515-L534 HydrophobicContact CD2-CD2 4.07Å; Y515-L534 HydrophobicContact CE1-CD2 4.46Å; Y515-L534 HydrophobicContact CE2-CD2 3.73Å
516	K	97.3	Very high	97.3	Very high	115 Å²	115	69.5 Å²	69.5	50%	0.5	36%	0.362	S	S	.	.	H	α-helix	trans	-59.7	-42.2	177.8	-74.1	166.6	178	167.4	0	112.1	Q512 E513 I519 Q520	Q512-K516 HydrophobicContact CG-CD 4.34Å; Q512-K516 WeakPolarHBondContact O-CB 3.47Å; Q512-K516 WeakPolarHBondContact O-CD 3.23Å; Q512-K516 VanDerWaalsContact O-CG 3.28Å; Q512-K516 WeakPolarHBondContact O-CG 3.43Å; Q512-K516 PolarHBondContact O-N 3.35Å; E513-K516 PolarHBondContact O-N 2.93Å; K516-I519 PolarHBondContact O-N 2.86Å; K516-Q520 WeakPolarHBondContact O-CB 3.44Å; K516-Q520 PolarHBondContact O-N 3.47Å
517	A	97	Very high	97.2	Very high	54 Å²	54	71 Å²	71	45%	0.446	37%	0.374	S	S	.	.	H	α-helix	trans	-63.9	-41.9	176.3	0	0	0	0	0	112.2	E513 I514 Y515 Q520 E521	E513-A517 WeakPolarHBondContact O-CB 3.44Å; E513-A517 PolarHBondContact O-N 3.06Å; I514-A517 PolarHBondContact O-N 2.97Å; Y515-A517 VanDerWaalsContact C-N 3.33Å; Y515-A517 PolarHBondContact O-N 3.45Å; A517-Q520 PolarHBondContact O-N 3.36Å; A517-E521 WeakPolarHBondContact O-CB 3.3Å; A517-E521 PolarHBondContact O-N 3.46Å
518	F	96.6	Very high	97.2	Very high	75 Å²	75	77.6 Å²	77.6	33%	0.329	41%	0.405	S	S	.	.	H	α-helix	trans	-62.9	-43.7	177	172.3	-104.1	0	0	0	112.7	H484 I514 Y515 S522 I524 F526	H484-F518 AromaticContact CE1-CE1 3.96Å; H484-F518 AromaticContact CE1-CZ 3.71Å; H484-F518 AromaticContact ND1-CE1 3.87Å; H484-F518 AromaticContact ND1-CZ 3.87Å; I514-F518 WeakPolarHBondContact O-CB 3.34Å; I514-F518 PolarHBondContact O-N 3.24Å; Y515-F518 PolarHBondContact O-N 3.43Å; F518-S522 WeakPolarHBondContact O-CB 3.39Å; F518-S522 PolarHBondContact O-N 3.03Å; F518-S522 PolarHBondContact O-OG 2.87Å; F518-I524 HydrophobicContact CD1-CG2 4.43Å; F518-I524 HydrophobicContact CE1-CG2 3.79Å; F518-I524 HydrophobicContact CZ-CG2 4.32Å; F518-F526 HydrophobicContact CE1-CE2 4.09Å; F518-F526 HydrophobicContact CE1-CZ 4.1Å
519	I	96.8	Very high	97.1	Very high	47 Å²	47	78.7 Å²	78.7	24%	0.241	41%	0.405	C	S	.	.	H	α-helix	trans	-59.8	-46.5	173.4	-63	-57.4	0	0	0	110.8	Y515 K516 G523 I524 F526	Y515-I519 HydrophobicContact CD2-CG1 4.5Å; Y515-I519 HydrophobicContact CE1-CG1 4.31Å; Y515-I519 HydrophobicContact CE2-CD1 4.02Å; Y515-I519 HydrophobicContact CE2-CG1 4.16Å; Y515-I519 WeakPolarHBondContact O-CG1 3.43Å; Y515-I519 PolarHBondContact O-N 3.04Å; K516-I519 PolarHBondContact O-N 2.86Å; I519-G523 WeakPolarHBondContact O-CA 3.29Å; I519-G523 PolarHBondContact O-N 3.41Å; I519-I524 HydrophobicContact CD1-CG2 3.67Å; I519-F526 HydrophobicContact CD1-CD2 3.6Å; I519-F526 HydrophobicContact CD1-CE2 3.59Å
520	Q	96.6	Very high	97.1	Very high	170 Å²	170	74 Å²	74	79%	0.794	38%	0.383	S	S	*	.	H	α-helix	trans	-65.3	-41.2	-178.3	-178	176.4	-17.7	0	0	113.1	K516 A517	K516-Q520 WeakPolarHBondContact O-CB 3.44Å; K516-Q520 PolarHBondContact O-N 3.47Å; A517-Q520 PolarHBondContact O-N 3.36Å
521	E	96.6	Very high	97.1	Very high	175 Å²	175	76.7 Å²	76.7	82%	0.818	40%	0.396	S	S	*	.	H	α-helix	trans	-77	-37.8	-176.9	-170.4	70.1	-176	0	0	112.4	A517	A517-E521 WeakPolarHBondContact O-CB 3.3Å; A517-E521 PolarHBondContact O-N 3.46Å
522	S	95.3	Very high	97.1	Very high	61 Å²	61	78.5 Å²	78.5	43%	0.427	40%	0.404	S	S	.	.	H	α-helix	trans	-88.5	-23	-177.2	66.1	0	0	0	0	114.3	F518 I524	F518-S522 WeakPolarHBondContact O-CB 3.39Å; F518-S522 PolarHBondContact O-N 3.03Å; F518-S522 PolarHBondContact O-OG 2.87Å; S522-I524 PolarHBondContact O-N 3.43Å; S522-I524 VanDerWaalsContact OG-CG2 3.23Å; S522-I524 WeakPolarHBondContact OG-CG2 3.49Å; S522-I524 PolarHBondContact OG-N 3.36Å
523	G	94.8	Very high	97.1	Very high	60 Å²	60	73.3 Å²	73.3	62%	0.619	38%	0.379	S	S	*	.			trans	68.4	8.9	-171.7	0	0	0	0	0	114.5	I519	I519-G523 WeakPolarHBondContact O-CA 3.29Å; I519-G523 PolarHBondContact O-N 3.41Å
524	I	95.4	Very high	97.1	Very high	60 Å²	60	68.6 Å²	68.6	31%	0.308	36%	0.358	S	S	.	.			trans	-66.9	146	176.2	-158.6	172.3	0	0	0	110.5	F518 I519 S522 F526	F518-I524 HydrophobicContact CD1-CG2 4.43Å; F518-I524 HydrophobicContact CE1-CG2 3.79Å; F518-I524 HydrophobicContact CZ-CG2 4.32Å; I519-I524 HydrophobicContact CD1-CG2 3.67Å; S522-I524 PolarHBondContact O-N 3.43Å; S522-I524 VanDerWaalsContact OG-CG2 3.23Å; S522-I524 WeakPolarHBondContact OG-CG2 3.49Å; S522-I524 PolarHBondContact OG-N 3.36Å; I524-F526 HydrophobicContact CD1-CE1 4.07Å; I524-F526 HydrophobicContact CD1-CZ 4.04Å; I524-F526 HydrophobicContact CG2-CE2 3.99Å; I524-F526 HydrophobicContact CG2-CZ 4.26Å
525	Q	95.9	Very high	97.2	Very high	181 Å²	181	68.9 Å²	68.9	85%	0.846	36%	0.358	S	S	*	.			trans	-125.2	117.7	171.4	-66.1	-174.5	-6.6	0	0	108.6
526	F	97.1	Very high	97.2	Very high	25 Å²	25	68.2 Å²	68.2	11%	0.11	36%	0.356	C	S	.	.			trans	-80.3	145.8	171.1	-66.2	-68.5	0	0	0	110.2	M481 H484 Y515 F518 I519 I524 E530 E531	M481-F526 HydrophobicContact CE-CD1 3.91Å; M481-F526 HydrophobicContact CE-CD2 4.5Å; M481-F526 HydrophobicContact CE-CE1 3.97Å; M481-F526 HydrophobicContact CE-CG 4.19Å; M481-F526 HydrophobicContact CE-CZ 4.3Å; M481-F526 HydrophobicContact SD-CD1 3.71Å; M481-F526 HydrophobicContact SD-CE1 3.74Å; H484-F526 AromaticContact CD2-CE1 3.54Å; H484-F526 AromaticContact CD2-CZ 3.44Å; H484-F526 VanDerWaalsContact CD2-CZ 3.44Å; H484-F526 WeakPolarHBondContact CD2-CZ 3.39Å; H484-F526 AromaticContact CE1-CZ 3.96Å; H484-F526 AromaticContact CG-CZ 3.8Å; H484-F526 AromaticContact NE2-CE1 3.72Å; H484-F526 AromaticContact NE2-CZ 3.58Å; Y515-F526 AromaticContact CE2-CD2 4Å; Y515-F526 HydrophobicContact CE2-CD2 4Å; Y515-F526 AromaticContact CE2-CE2 3.9Å; Y515-F526 HydrophobicContact CE2-CE2 3.9Å; Y515-F526 VanDerWaalsContact OH-CD2 3.31Å; Y515-F526 WeakPolarHBondContact OH-CD2 3.22Å; F518-F526 HydrophobicContact CE1-CE2 4.09Å; F518-F526 HydrophobicContact CE1-CZ 4.1Å; I519-F526 HydrophobicContact CD1-CD2 3.6Å; I519-F526 HydrophobicContact CD1-CE2 3.59Å; I524-F526 HydrophobicContact CD1-CE1 4.07Å; I524-F526 HydrophobicContact CD1-CZ 4.04Å; I524-F526 HydrophobicContact CG2-CE2 3.99Å; I524-F526 HydrophobicContact CG2-CZ 4.26Å; F526-E530 HydrophobicContact CB-CB 3.82Å; F526-E530 HydrophobicContact CD1-CB 4.06Å; F526-E530 HydrophobicContact CD1-CG 4.39Å; F526-E530 HydrophobicContact CG-CB 4.31Å; F526-E531 HydrophobicContact CB-CG 4.47Å
527	S	97.9	Very high	97.3	Very high	50 Å²	50	63.5 Å²	63.5	35%	0.35	34%	0.336	S	S	.	.			trans	-70.5	163.4	171.5	64.7	0	0	0	0	112	L529 E530 E531	S527-L529 PolarHBondContact O-N 3.29Å; S527-L529 VanDerWaalsContact O-N 3.16Å; S527-E530 VanDerWaalsContact CB-OE2 3.22Å; S527-E530 WeakPolarHBondContact CB-OE2 3.39Å; S527-E530 PolarHBondContact N-OE2 2.97Å; S527-E530 PolarHBondContact O-N 3.25Å; S527-E530 PolarHBondContact OG-N 3.13Å; S527-E530 PolarHBondContact OG-OE2 2.98Å; S527-E531 PolarHBondContact O-N 2.98Å
528	E	97.5	Very high	97.4	Very high	138 Å²	138	61.5 Å²	61.5	65%	0.645	32%	0.317	S	S	*	.	H	α-helix	trans	-56	-31.7	174.9	-164.9	-163.8	140.4	0	0	112.6	K532	E528-K532 VanDerWaalsContact O-CG 3.23Å; E528-K532 WeakPolarHBondContact O-CG 3.42Å; E528-K532 PolarHBondContact O-N 2.91Å; E528-K532 VanDerWaalsContact O-N 3.12Å; E528-K532 WeakPolarHBondContact OE1-CE 3.17Å; E528-K532 IonicContact OE1-NZ 3.93Å; E528-K532 PolarHBondContact OE1-NZ 3.2Å
529	L	98	Very high	97.4	Very high	42 Å²	42	58 Å²	58	22%	0.22	30%	0.302	C	S	.	.	H	α-helix	trans	-71	-45	175.2	175.2	57.6	0	0	0	111.8	Q467 I477 S527 E531 K532 V533 V682	Q467-L529 VanDerWaalsContact CD-CD1 3.48Å; Q467-L529 HydrophobicContact CG-CD1 3.81Å; I477-L529 HydrophobicContact CD1-CD2 3.88Å; I477-L529 HydrophobicContact CG2-CG 4.48Å; S527-L529 PolarHBondContact O-N 3.29Å; S527-L529 VanDerWaalsContact O-N 3.16Å; L529-E531 VanDerWaalsContact C-N 3.34Å; L529-E531 PolarHBondContact O-N 2.57Å; L529-K532 PolarHBondContact O-N 3.08Å; L529-K532 VanDerWaalsContact O-N 3.16Å; L529-V533 HydrophobicContact CD1-CG2 4.14Å; L529-V533 WeakPolarHBondContact O-CG2 3.42Å; L529-V533 PolarHBondContact O-N 2.91Å; L529-V682 HydrophobicContact CD1-CG1 4.22Å
530	E	98.4	Very high	97.5	Very high	14 Å²	14	59 Å²	59	7%	0.065	31%	0.308	C	S	.	.	H	α-helix	trans	-60.7	-42.9	176.9	-78.4	160.9	121.4	0	0	111.6	I477 R480 M481 F526 S527 K532 V533 L534	I477-E530 HydrophobicContact CG2-CG 3.8Å; R480-E530 WeakPolarHBondContact CD-OE1 3.34Å; R480-E530 IonicContact CZ-OE1 2.6Å; R480-E530 IonicContact NE-OE1 2.73Å; R480-E530 IonicContact NH1-OE1 2.66Å; R480-E530 PolarHBondContact NH1-OE1 3.08Å; M481-E530 HydrophobicContact CE-CB 4.14Å; M481-E530 HydrophobicContact CG-CB 3.97Å; M481-E530 HydrophobicContact CG-CG 4Å; M481-E530 HydrophobicContact SD-CB 3.61Å; M481-E530 HydrophobicContact SD-CG 3.75Å; F526-E530 HydrophobicContact CB-CB 3.82Å; F526-E530 HydrophobicContact CD1-CB 4.06Å; F526-E530 HydrophobicContact CD1-CG 4.39Å; F526-E530 HydrophobicContact CG-CB 4.31Å; S527-E530 VanDerWaalsContact CB-OE2 3.22Å; S527-E530 WeakPolarHBondContact CB-OE2 3.39Å; S527-E530 PolarHBondContact N-OE2 2.97Å; S527-E530 PolarHBondContact O-N 3.25Å; S527-E530 PolarHBondContact OG-N 3.13Å; S527-E530 PolarHBondContact OG-OE2 2.98Å; E530-K532 PolarHBondContact O-N 2.85Å; E530-V533 PolarHBondContact O-N 2.86Å; E530-L534 PolarHBondContact O-N 3.32Å
531	E	97.8	Very high	97.6	Very high	67 Å²	67	51.5 Å²	51.5	31%	0.313	27%	0.273	S	S	.	.	H	α-helix	trans	-58.2	-42.9	171.6	-79.5	-77.4	-170.9	0	0	112.5	Y515 F526 S527 L529 L534 Q535	Y515-E531 WeakPolarHBondContact CE1-OE1 3.35Å; Y515-E531 PolarHBondContact OH-OE1 2.81Å; Y515-E531 PolarHBondContact OH-OE2 2.93Å; F526-E531 HydrophobicContact CB-CG 4.47Å; S527-E531 PolarHBondContact O-N 2.98Å; L529-E531 VanDerWaalsContact C-N 3.34Å; L529-E531 PolarHBondContact O-N 2.57Å; E531-L534 WeakPolarHBondContact O-CB 3.38Å; E531-L534 PolarHBondContact O-N 3.08Å; E531-Q535 WeakPolarHBondContact O-CG 3.12Å; E531-Q535 PolarHBondContact O-N 3.19Å
532	K	98.3	Very high	97.7	Very high	51 Å²	51	43.2 Å²	43.2	22%	0.222	24%	0.235	C	C	.	.	H	α-helix	trans	-68.1	-38.3	177.3	-72.9	171.2	178.4	-176.8	0	112.7	E528 L529 E530 L534 Q535 F536 V682 P683 P684	E528-K532 VanDerWaalsContact O-CG 3.23Å; E528-K532 WeakPolarHBondContact O-CG 3.42Å; E528-K532 PolarHBondContact O-N 2.91Å; E528-K532 VanDerWaalsContact O-N 3.12Å; E528-K532 WeakPolarHBondContact OE1-CE 3.17Å; E528-K532 IonicContact OE1-NZ 3.93Å; E528-K532 PolarHBondContact OE1-NZ 3.2Å; L529-K532 PolarHBondContact O-N 3.08Å; L529-K532 VanDerWaalsContact O-N 3.16Å; E530-K532 PolarHBondContact O-N 2.85Å; K532-L534 VanDerWaalsContact C-N 3.34Å; K532-Q535 WeakPolarHBondContact O-CB 3.45Å; K532-Q535 PolarHBondContact O-N 3Å; K532-Q535 VanDerWaalsContact O-N 3.14Å; K532-F536 PolarHBondContact O-N 3.33Å; K532-V682 HydrophobicContact CB-CG1 3.66Å; K532-P683 WeakPolarHBondContact CG-O 3.43Å; K532-P683 WeakPolarHBondContact O-CD 3.38Å; K532-P684 WeakPolarHBondContact CE-O 3.24Å; K532-P684 PolarHBondContact NZ-O 3.03Å
533	V	98.6	Very high	97.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64.1	-40.4	173.2	175.8	0	0	0	0	110.4	L465 T473 I477 M481 L529 E530 Q535 F536 H537 V682	L465-V533 HydrophobicContact CD1-CG1 3.88Å; T473-V533 HydrophobicContact CG2-CG2 4Å; I477-V533 HydrophobicContact CG2-CG2 4.43Å; M481-V533 HydrophobicContact CB-CB 4.16Å; M481-V533 HydrophobicContact CB-CG1 3.64Å; M481-V533 HydrophobicContact CG-CB 4.16Å; M481-V533 HydrophobicContact CG-CG1 4.12Å; L529-V533 HydrophobicContact CD1-CG2 4.14Å; L529-V533 WeakPolarHBondContact O-CG2 3.42Å; L529-V533 PolarHBondContact O-N 2.91Å; E530-V533 PolarHBondContact O-N 2.86Å; V533-Q535 VanDerWaalsContact C-N 3.29Å; V533-Q535 PolarHBondContact O-N 3.13Å; V533-F536 WeakPolarHBondContact O-CA 3.4Å; V533-F536 WeakPolarHBondContact O-CB 3.42Å; V533-F536 PolarHBondContact O-N 3.35Å; V533-H537 PolarHBondContact O-CD2 2.65Å; V533-H537 PolarHBondContact O-N 2.95Å; V533-V682 HydrophobicContact CG2-CG1 4.12Å; V533-V682 HydrophobicContact CG2-CG2 4.22Å
534	L	98.4	Very high	98.1	Very high	7 Å²	7	42.1 Å²	42.1	4%	0.037	21%	0.213	C	C	.	.	H	α-helix	trans	-59.3	-38.2	171.3	-177.5	59.7	0	0	0	112.1	M481 F485 Y515 E530 E531 K532 F536 H537 L538	M481-L534 HydrophobicContact CE-CB 4.06Å; F485-L534 HydrophobicContact CB-CD1 4.02Å; F485-L534 HydrophobicContact CD2-CD1 4.22Å; Y515-L534 HydrophobicContact CD2-CD2 4.07Å; Y515-L534 HydrophobicContact CE1-CD2 4.46Å; Y515-L534 HydrophobicContact CE2-CD2 3.73Å; E530-L534 PolarHBondContact O-N 3.32Å; E531-L534 WeakPolarHBondContact O-CB 3.38Å; E531-L534 PolarHBondContact O-N 3.08Å; K532-L534 VanDerWaalsContact C-N 3.34Å; L534-F536 VanDerWaalsContact C-N 3.33Å; L534-F536 PolarHBondContact O-N 3.03Å; L534-H537 PolarHBondContact O-N 3.41Å; L534-L538 HydrophobicContact CG-CD1 4.28Å; L534-L538 VanDerWaalsContact O-CG 3.3Å; L534-L538 WeakPolarHBondContact O-CG 3.44Å; L534-L538 PolarHBondContact O-N 2.96Å; L534-L538 VanDerWaalsContact O-N 3.08Å
535	Q	98.5	Very high	98.2	Very high	28 Å²	28	39.5 Å²	39.5	13%	0.131	20%	0.2	C	C	.	.	H	α-helix	trans	-65.4	-31.1	172.4	-61.4	-47.1	-55.9	0	0	113.5	E531 K532 V533 S539 P683 R689	E531-Q535 WeakPolarHBondContact O-CG 3.12Å; E531-Q535 PolarHBondContact O-N 3.19Å; K532-Q535 WeakPolarHBondContact O-CB 3.45Å; K532-Q535 PolarHBondContact O-N 3Å; K532-Q535 VanDerWaalsContact O-N 3.14Å; V533-Q535 VanDerWaalsContact C-N 3.29Å; V533-Q535 PolarHBondContact O-N 3.13Å; Q535-S539 PolarHBondContact O-N 3.37Å; Q535-P683 HydrophobicContact CB-CG 3.82Å; Q535-R689 HydrophobicContact CB-CB 4.18Å
536	F	98.7	Very high	98.3	Very high	13 Å²	13	31 Å²	31	6%	0.057	16%	0.16	C	C	.	.	H	α-helix	trans	-62	-50.8	171.4	164.9	-93.9	0	0	0	111.2	L465 K532 V533 L534 L538 S539 N540 S693 V694	L465-F536 HydrophobicContact CD1-CD1 3.83Å; L465-F536 HydrophobicContact CD1-CE1 4.07Å; L465-F536 HydrophobicContact CD2-CD1 3.83Å; L465-F536 HydrophobicContact CD2-CD2 4.41Å; L465-F536 HydrophobicContact CD2-CE1 3.4Å; L465-F536 HydrophobicContact CD2-CE2 4.02Å; L465-F536 HydrophobicContact CD2-CG 4.33Å; L465-F536 HydrophobicContact CD2-CZ 3.51Å; L465-F536 HydrophobicContact CG-CE1 4.4Å; K532-F536 PolarHBondContact O-N 3.33Å; V533-F536 WeakPolarHBondContact O-CA 3.4Å; V533-F536 WeakPolarHBondContact O-CB 3.42Å; V533-F536 PolarHBondContact O-N 3.35Å; L534-F536 VanDerWaalsContact C-N 3.33Å; L534-F536 PolarHBondContact O-N 3.03Å; F536-L538 VanDerWaalsContact C-N 3.29Å; F536-L538 PolarHBondContact O-N 3.33Å; F536-S539 WeakPolarHBondContact O-CB 3.3Å; F536-S539 PolarHBondContact O-N 3.15Å; F536-S539 PolarHBondContact O-OG 2.91Å; F536-N540 PolarHBondContact O-N 3.14Å; F536-S693 WeakPolarHBondContact CE2-O 3Å; F536-V694 HydrophobicContact CE2-CG2 3.94Å; F536-V694 HydrophobicContact CZ-CG2 4.27Å
537	H	98.7	Very high	98.4	Very high	16 Å²	16	30.6 Å²	30.6	7%	0.074	16%	0.161	C	C	.	.	H	α-helix	trans	-59.3	-40.7	178	-63.1	-81.9	0	0	0	112	D482 F485 V533 L534 S539 N540 L541	D482-H537 PolarHBondContact N-NE2 2.6Å; D482-H537 IonicContact OD1-CE1 3.83Å; F485-H537 HydrophobicContact CB-CB 4.16Å; F485-H537 HydrophobicContact CD1-CB 3.89Å; F485-H537 HydrophobicContact CD2-CB 3.6Å; F485-H537 HydrophobicContact CE1-CB 4.16Å; F485-H537 HydrophobicContact CE2-CB 3.88Å; F485-H537 HydrophobicContact CG-CB 3.6Å; F485-H537 HydrophobicContact CZ-CB 4.15Å; V533-H537 PolarHBondContact O-CD2 2.65Å; V533-H537 PolarHBondContact O-N 2.95Å; L534-H537 PolarHBondContact O-N 3.41Å; H537-S539 VanDerWaalsContact C-N 3.34Å; H537-S539 PolarHBondContact O-N 3.38Å; H537-N540 PolarHBondContact O-N 2.69Å; H537-L541 PolarHBondContact O-N 3.49Å
538	L	98.6	Very high	98.4	Very high	12 Å²	12	29.6 Å²	29.6	6%	0.063	15%	0.151	C	C	.	.	H	α-helix	trans	-63.1	-37.9	174.6	-65.9	168.3	0	0	0	112.3	F485 I511 L534 F536 N540 L541 E542 L549	F485-L538 HydrophobicContact CD2-CD2 4.37Å; F485-L538 HydrophobicContact CE2-CD2 4.04Å; I511-L538 HydrophobicContact CD1-CD2 4.08Å; I511-L538 HydrophobicContact CG2-CD2 3.88Å; L534-L538 HydrophobicContact CG-CD1 4.28Å; L534-L538 VanDerWaalsContact O-CG 3.3Å; L534-L538 WeakPolarHBondContact O-CG 3.44Å; L534-L538 PolarHBondContact O-N 2.96Å; L534-L538 VanDerWaalsContact O-N 3.08Å; F536-L538 VanDerWaalsContact C-N 3.29Å; F536-L538 PolarHBondContact O-N 3.33Å; L538-N540 VanDerWaalsContact C-N 3.32Å; L538-N540 PolarHBondContact O-N 2.94Å; L538-L541 PolarHBondContact O-N 3.14Å; L538-E542 WeakPolarHBondContact O-CG 3.42Å; L538-E542 PolarHBondContact O-N 3.12Å; L538-L549 HydrophobicContact CB-CD1 4.48Å; L538-L549 HydrophobicContact CD2-CD1 3.82Å
539	S	98.4	Very high	98.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.5	-33.8	173.7	82.7	0	0	0	0	113.1	Q535 F536 H537 L541 E542 Y543 R689 S693	Q535-S539 PolarHBondContact O-N 3.37Å; F536-S539 WeakPolarHBondContact O-CB 3.3Å; F536-S539 PolarHBondContact O-N 3.15Å; F536-S539 PolarHBondContact O-OG 2.91Å; H537-S539 VanDerWaalsContact C-N 3.34Å; H537-S539 PolarHBondContact O-N 3.38Å; S539-L541 VanDerWaalsContact C-N 3.34Å; S539-E542 PolarHBondContact O-N 3.06Å; S539-Y543 PolarHBondContact O-N 3.17Å; S539-R689 WeakPolarHBondContact CB-O 3.42Å; S539-R689 PolarHBondContact OG-O 2.86Å; S539-S693 VanDerWaalsContact OG-CB 3.23Å; S539-S693 WeakPolarHBondContact OG-CB 3.28Å
540	N	98.6	Very high	98.4	Very high	69 Å²	69	23 Å²	23	37%	0.369	12%	0.124	S	C	.	.	H	α-helix	trans	-70.7	-34.2	177.8	-165.9	36.7	0	0	0	111.1	F536 H537 L538 Y543 A544	F536-N540 PolarHBondContact O-N 3.14Å; H537-N540 PolarHBondContact O-N 2.69Å; L538-N540 VanDerWaalsContact C-N 3.32Å; L538-N540 PolarHBondContact O-N 2.94Å; N540-Y543 WeakPolarHBondContact O-CB 3.48Å; N540-Y543 PolarHBondContact O-N 3.33Å; N540-A544 PolarHBondContact O-N 3.16Å
541	L	98.7	Very high	98.4	Very high	12 Å²	12	27.2 Å²	27.2	6%	0.063	14%	0.143	C	C	.	.	H	α-helix	trans	-69.3	-36.1	170.4	-170.3	58.9	0	0	0	112.2	F485 L489 L507 I511 H537 L538 S539 A544 C545 L549 W557	F485-L541 HydrophobicContact CE2-CD2 4.26Å; F485-L541 HydrophobicContact CZ-CB 4.32Å; F485-L541 HydrophobicContact CZ-CD2 4.14Å; L489-L541 HydrophobicContact CD2-CD2 4.28Å; L507-L541 HydrophobicContact CD2-CD2 4Å; I511-L541 HydrophobicContact CD1-CD2 4.15Å; H537-L541 PolarHBondContact O-N 3.49Å; L538-L541 PolarHBondContact O-N 3.14Å; S539-L541 VanDerWaalsContact C-N 3.34Å; L541-A544 PolarHBondContact O-N 3.17Å; L541-C545 WeakPolarHBondContact O-CB 3.43Å; L541-C545 PolarHBondContact O-N 3.03Å; L541-C545 PolarHBondContact O-SG 3.29Å; L541-L549 HydrophobicContact CB-CD2 4.27Å; L541-L549 HydrophobicContact CD2-CD1 3.97Å; L541-L549 HydrophobicContact CD2-CD2 4.16Å; L541-L549 HydrophobicContact CG-CD1 4.39Å; L541-L549 HydrophobicContact CG-CD2 3.84Å; L541-W557 HydrophobicContact CD1-CE3 3.77Å; L541-W557 HydrophobicContact CD1-CH2 4.24Å; L541-W557 HydrophobicContact CD1-CZ3 3.54Å
542	E	98.8	Very high	98.5	Very high	2 Å²	2	24 Å²	24	1%	0.009	13%	0.129	C	C	.	.	H	α-helix	trans	-66.3	-35.7	170.8	-70.1	-177.1	144.6	0	0	112.3	L538 S539 G546 S547 N548 L549 R689 T712	L538-E542 WeakPolarHBondContact O-CG 3.42Å; L538-E542 PolarHBondContact O-N 3.12Å; S539-E542 PolarHBondContact O-N 3.06Å; E542-G546 VanDerWaalsContact O-CA 3.29Å; E542-G546 WeakPolarHBondContact O-CA 3.41Å; E542-G546 PolarHBondContact O-N 2.83Å; E542-S547 WeakPolarHBondContact CA-O 3.48Å; E542-S547 WeakPolarHBondContact CB-O 3.39Å; E542-S547 WeakPolarHBondContact CG-O 3.2Å; E542-S547 PolarHBondContact O-N 3.49Å; E542-S547 VanDerWaalsContact O-N 3.09Å; E542-N548 VanDerWaalsContact OE1-CA 3.28Å; E542-N548 WeakPolarHBondContact OE1-CA 3.31Å; E542-L549 HydrophobicContact CG-CD1 4.36Å; E542-L549 HydrophobicContact CG-CD2 3.64Å; E542-L549 HydrophobicContact CG-CG 3.57Å; E542-L549 PolarHBondContact OE1-N 2.86Å; E542-R689 IonicContact OE1-CZ 3.41Å; E542-R689 IonicContact OE1-NE 2.69Å; E542-R689 IonicContact OE1-NH2 2.71Å; E542-R689 PolarHBondContact OE1-NH2 3.19Å; E542-R689 IonicContact OE2-CZ 3.55Å; E542-R689 IonicContact OE2-NE 3.2Å; E542-R689 PolarHBondContact OE2-NE 3.2Å; E542-R689 IonicContact OE2-NH2 3.28Å; E542-R689 PolarHBondContact OE2-NH2 3.22Å; E542-T712 VanDerWaalsContact C-OG1 3.22Å; E542-T712 HydrophobicContact CB-CG2 4.13Å; E542-T712 PolarHBondContact O-OG1 2.63Å
543	Y	98.6	Very high	98.5	Very high	52 Å²	52	21.6 Å²	21.6	20%	0.204	12%	0.118	C	C	.	.	H	α-helix	trans	-61.6	-50.3	170.1	165.7	-116.5	0	0	0	111.4	S539 N540 C545 G546 I657 V710 T712 Y765	S539-Y543 PolarHBondContact O-N 3.17Å; N540-Y543 WeakPolarHBondContact O-CB 3.48Å; N540-Y543 PolarHBondContact O-N 3.33Å; Y543-C545 VanDerWaalsContact C-N 3.32Å; Y543-C545 PolarHBondContact O-N 2.69Å; Y543-G546 PolarHBondContact O-N 2.68Å; Y543-G546 VanDerWaalsContact O-N 3.11Å; Y543-I657 HydrophobicContact CD2-CD1 4.18Å; Y543-I657 HydrophobicContact CD2-CG2 4.29Å; Y543-I657 HydrophobicContact CE2-CD1 3.81Å; Y543-V710 HydrophobicContact CD2-CB 4.45Å; Y543-V710 HydrophobicContact CD2-CG1 3.76Å; Y543-V710 HydrophobicContact CE2-CB 4.46Å; Y543-V710 HydrophobicContact CE2-CG1 3.95Å; Y543-V710 HydrophobicContact CE2-CG2 4.09Å; Y543-T712 WeakPolarHBondContact CA-OG1 3.44Å; Y543-T712 PolarHBondContact N-OG1 2.86Å; Y543-Y765 PolarHBondContact O-OH 2.86Å
544	A	98.3	Very high	98.5	Very high	46 Å²	46	21.6 Å²	21.6	38%	0.38	12%	0.118	S	C	.	.	H	α-helix	trans	-58.6	-40.8	176.9	0	0	0	0	0	112.7	N540 L541 Q801	N540-A544 PolarHBondContact O-N 3.16Å; L541-A544 PolarHBondContact O-N 3.17Å; A544-Q801 PolarHBondContact O-NE2 2.82Å; A544-Q801 PolarHBondContact O-OE1 2.96Å
545	C	98.4	Very high	98.5	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.034	13%	0.125	C	C	.	.	H	α-helix	trans	-80.2	-17.9	176.3	-68.1	0	0	0	0	114.3	L541 Y543 S547 V552 F767	L541-C545 WeakPolarHBondContact O-CB 3.43Å; L541-C545 PolarHBondContact O-N 3.03Å; L541-C545 PolarHBondContact O-SG 3.29Å; Y543-C545 VanDerWaalsContact C-N 3.32Å; Y543-C545 PolarHBondContact O-N 2.69Å; C545-S547 PolarHBondContact O-N 3.1Å; C545-V552 HydrophobicContact CB-CG2 3.8Å; C545-F767 WeakPolarHBondContact O-CB 3.24Å; C545-F767 WeakPolarHBondContact O-CD1 3.47Å
546	G	98.3	Very high	98.5	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.01	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	30.9	-168.6	0	0	0	0	0	113	E542 Y543 G655 V656	E542-G546 VanDerWaalsContact O-CA 3.29Å; E542-G546 WeakPolarHBondContact O-CA 3.41Å; E542-G546 PolarHBondContact O-N 2.83Å; Y543-G546 PolarHBondContact O-N 2.68Å; Y543-G546 VanDerWaalsContact O-N 3.11Å; G546-G655 CarbonylContact O-C 3.57Å; G546-G655 WeakPolarHBondContact O-CA 3.45Å; G546-V656 PolarHBondContact O-N 2.97Å
547	S	98.6	Very high	98.5	Very high	18 Å²	18	25.1 Å²	25.1	13%	0.126	13%	0.131	C	C	.	.	S	Bend	trans	-161.8	155.1	-172	-174.9	0	0	0	0	111.9	E542 C545 F767	E542-S547 WeakPolarHBondContact CA-O 3.48Å; E542-S547 WeakPolarHBondContact CB-O 3.39Å; E542-S547 WeakPolarHBondContact CG-O 3.2Å; E542-S547 PolarHBondContact O-N 3.49Å; E542-S547 VanDerWaalsContact O-N 3.09Å; C545-S547 PolarHBondContact O-N 3.1Å; S547-F767 VanDerWaalsContact CB-CE1 3.44Å; S547-F767 VanDerWaalsContact OG-CZ 3.31Å; S547-F767 WeakPolarHBondContact OG-CZ 3.38Å
548	N	98.1	Very high	98.5	Very high	28 Å²	28	25.5 Å²	25.5	15%	0.15	13%	0.134	C	C	.	.			trans	-60.8	135.7	166	-178.9	-47.9	0	0	0	110	E542 S550 Q551 D714	E542-N548 VanDerWaalsContact OE1-CA 3.28Å; E542-N548 WeakPolarHBondContact OE1-CA 3.31Å; N548-S550 VanDerWaalsContact CG-OG 3.28Å; N548-S550 PolarHBondContact O-N 3.22Å; N548-S550 VanDerWaalsContact O-N 3.07Å; N548-S550 VanDerWaalsContact OD1-CB 3.26Å; N548-S550 WeakPolarHBondContact OD1-CB 3.48Å; N548-S550 PolarHBondContact OD1-N 3.25Å; N548-S550 PolarHBondContact OD1-OG 3.27Å; N548-Q551 PolarHBondContact O-N 3.45Å; N548-D714 PolarHBondContact ND2-OD1 2.93Å; N548-D714 PolarHBondContact ND2-OD2 3.19Å
549	L	98.6	Very high	98.5	Very high	1 Å²	1	26 Å²	26	1%	0.005	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-15	-176.9	-51.5	-177	0	0	0	114.1	L507 G508 I511 L538 L541 E542 Q551 V552	L507-L549 PolarHBondContact N-O 2.91Å; G508-L549 PolarHBondContact N-O 3.46Å; I511-L549 HydrophobicContact CD1-CD1 4.2Å; L538-L549 HydrophobicContact CB-CD1 4.48Å; L538-L549 HydrophobicContact CD2-CD1 3.82Å; L541-L549 HydrophobicContact CB-CD2 4.27Å; L541-L549 HydrophobicContact CD2-CD1 3.97Å; L541-L549 HydrophobicContact CD2-CD2 4.16Å; L541-L549 HydrophobicContact CG-CD1 4.39Å; L541-L549 HydrophobicContact CG-CD2 3.84Å; E542-L549 HydrophobicContact CG-CD1 4.36Å; E542-L549 HydrophobicContact CG-CD2 3.64Å; E542-L549 HydrophobicContact CG-CG 3.57Å; E542-L549 PolarHBondContact OE1-N 2.86Å; L549-Q551 PolarHBondContact O-N 2.81Å; L549-V552 PolarHBondContact O-N 2.87Å
550	S	98	Very high	98.5	Very high	42 Å²	42	27.2 Å²	27.2	29%	0.294	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-10.9	170.2	63.3	0	0	0	0	114.3	P506 N548	P506-S550 WeakPolarHBondContact CB-O 3.28Å; P506-S550 WeakPolarHBondContact CG-O 3.37Å; N548-S550 VanDerWaalsContact CG-OG 3.28Å; N548-S550 PolarHBondContact O-N 3.22Å; N548-S550 VanDerWaalsContact O-N 3.07Å; N548-S550 VanDerWaalsContact OD1-CB 3.26Å; N548-S550 WeakPolarHBondContact OD1-CB 3.48Å; N548-S550 PolarHBondContact OD1-N 3.25Å; N548-S550 PolarHBondContact OD1-OG 3.27Å
551	Q	98.4	Very high	98.4	Very high	101 Å²	101	30.2 Å²	30.2	47%	0.472	15%	0.154	S	C	.	.	S	Bend	trans	-105.8	-16.9	175.9	-57.6	-58.5	-71	0	0	113	N548 L549 F767 K769 T770	N548-Q551 PolarHBondContact O-N 3.45Å; L549-Q551 PolarHBondContact O-N 2.81Å; Q551-F767 HydrophobicContact CB-CE2 4.15Å; Q551-F767 HydrophobicContact CB-CZ 4.11Å; Q551-K769 VanDerWaalsContact O-CA 3.24Å; Q551-K769 WeakPolarHBondContact O-CA 3.23Å; Q551-T770 PolarHBondContact O-N 3.3Å; Q551-T770 PolarHBondContact O-OG1 2.84Å
552	V	98.8	Very high	98.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-88.6	138.3	-170.7	-174.6	0	0	0	0	110.4	P506 L507 C545 L549 A554 W557 F767 T770	P506-V552 CarbonylContact C-O 3.57Å; P506-V552 WeakPolarHBondContact CA-O 3.12Å; L507-V552 HydrophobicContact CB-CB 4.33Å; L507-V552 HydrophobicContact CD2-CG1 4.26Å; L507-V552 PolarHBondContact N-O 3.3Å; C545-V552 HydrophobicContact CB-CG2 3.8Å; L549-V552 PolarHBondContact O-N 2.87Å; V552-A554 PolarHBondContact O-N 3.49Å; V552-W557 HydrophobicContact CG1-CB 3.57Å; V552-F767 HydrophobicContact CB-CD2 4.37Å; V552-F767 HydrophobicContact CG1-CD2 4.4Å; V552-F767 HydrophobicContact CG2-CD2 3.86Å; V552-F767 HydrophobicContact CG2-CE2 3.97Å; V552-T770 PolarHBondContact O-OG1 2.78Å
553	S	98.8	Very high	98.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-62.1	120.3	176.3	178.2	0	0	0	0	112.8	D504 R555 S556 W557 V768	D504-S553 VanDerWaalsContact CG-OG 3.25Å; D504-S553 PolarHBondContact OD1-OG 2.97Å; D504-S553 WeakPolarHBondContact OD2-CB 3.32Å; D504-S553 PolarHBondContact OD2-OG 2.73Å; S553-R555 PolarHBondContact O-N 2.88Å; S553-R555 PolarHBondContact OG-N 3.46Å; S553-S556 PolarHBondContact O-N 3.29Å; S553-S556 WeakPolarHBondContact OG-CB 3.47Å; S553-S556 PolarHBondContact OG-N 3.42Å; S553-W557 WeakPolarHBondContact O-CB 3.49Å; S553-W557 PolarHBondContact O-N 3.44Å; S553-W557 VanDerWaalsContact O-N 3.13Å; S553-V768 PolarHBondContact N-O 3.26Å
554	A	98.8	Very high	98.3	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-31.8	170.2	0	0	0	0	0	111.9	V492 W495 D504 V505 L507 K510 V552	V492-A554 HydrophobicContact CG1-CB 4.45Å; W495-A554 HydrophobicContact CH2-CB 4.37Å; W495-A554 HydrophobicContact CZ3-CB 3.76Å; D504-A554 PolarHBondContact OD1-N 2.84Å; V505-A554 HydrophobicContact CG2-CB 4.08Å; V505-A554 WeakPolarHBondContact O-CB 3.1Å; V505-A554 PolarHBondContact O-N 3.28Å; L507-A554 HydrophobicContact CB-CB 4.46Å; K510-A554 HydrophobicContact CB-CB 4.23Å; V552-A554 PolarHBondContact O-N 3.49Å
555	R	98.5	Very high	98.3	Very high	50 Å²	50	39.3 Å²	39.3	19%	0.189	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-30.2	177.6	-68.8	171.4	66	-95.8	-0.9	114.2	W495 R496 K499 T500 D504 S553	W495-R555 HydrophobicContact CH2-CG 4.34Å; W495-R555 HydrophobicContact CZ3-CG 4.06Å; R496-R555 HydrophobicContact CB-CB 4.48Å; R496-R555 HydrophobicContact CB-CG 4.01Å; R496-R555 WeakPolarHBondContact CD-O 3.43Å; R496-R555 PolarHBondContact NH1-O 3.4Å; K499-R555 HydrophobicContact CB-CG 4.29Å; K499-R555 VanDerWaalsContact O-CZ 3.28Å; K499-R555 PolarHBondContact O-NE 3.42Å; K499-R555 PolarHBondContact O-NH2 3.19Å; T500-R555 WeakPolarHBondContact O-CD 3.42Å; T500-R555 PolarHBondContact O-NE 2.91Å; D504-R555 HydrophobicContact CB-CG 4.31Å; D504-R555 WeakPolarHBondContact OD1-CB 2.99Å; D504-R555 WeakPolarHBondContact OD1-CD 3.1Å; D504-R555 WeakPolarHBondContact OD1-CG 3.21Å; D504-R555 PolarHBondContact OD1-N 2.83Å; S553-R555 PolarHBondContact O-N 2.88Å; S553-R555 PolarHBondContact OG-N 3.46Å
556	S	98.6	Very high	98.3	Very high	13 Å²	13	40.4 Å²	40.4	9%	0.091	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.3	23.1	-160.5	-60.3	0	0	0	0	115.8	S553 D558 H559	S553-S556 PolarHBondContact O-N 3.29Å; S553-S556 WeakPolarHBondContact OG-CB 3.47Å; S553-S556 PolarHBondContact OG-N 3.42Å; S556-D558 VanDerWaalsContact C-N 3.34Å; S556-H559 PolarHBondContact O-CD2 3.22Å
557	W	98.6	Very high	98.2	Very high	60 Å²	60	42 Å²	42	23%	0.227	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-35.5	176.9	67	-83.1	0	0	0	114	L489 L507 L541 V552 S553	L489-W557 HydrophobicContact CD1-CH2 4.22Å; L489-W557 HydrophobicContact CD1-CZ2 4.29Å; L489-W557 HydrophobicContact CD2-CZ2 4.3Å; L507-W557 HydrophobicContact CD2-CB 3.81Å; L507-W557 HydrophobicContact CD2-CD2 3.95Å; L507-W557 HydrophobicContact CD2-CG 3.58Å; L541-W557 HydrophobicContact CD1-CE3 3.77Å; L541-W557 HydrophobicContact CD1-CH2 4.24Å; L541-W557 HydrophobicContact CD1-CZ3 3.54Å; V552-W557 HydrophobicContact CG1-CB 3.57Å; S553-W557 WeakPolarHBondContact O-CB 3.49Å; S553-W557 PolarHBondContact O-N 3.44Å; S553-W557 VanDerWaalsContact O-N 3.13Å
558	D	98.4	Very high	98.1	Very high	24 Å²	24	43.6 Å²	43.6	13%	0.128	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	18.5	-176.2	59.6	-9.1	0	0	0	112.6	R496 S556 N560 E561	R496-D558 IonicContact CZ-OD1 3.77Å; R496-D558 IonicContact CZ-OD2 2.7Å; R496-D558 VanDerWaalsContact NH1-CG 3.33Å; R496-D558 IonicContact NH1-OD1 2.97Å; R496-D558 PolarHBondContact NH1-OD1 3.05Å; R496-D558 IonicContact NH1-OD2 2.67Å; R496-D558 PolarHBondContact NH1-OD2 3.13Å; R496-D558 IonicContact NH2-OD1 3.7Å; R496-D558 IonicContact NH2-OD2 3.52Å; R496-D558 PolarHBondContact NH2-OD2 2.91Å; S556-D558 VanDerWaalsContact C-N 3.34Å; D558-N560 PolarHBondContact O-N 3.23Å; D558-E561 PolarHBondContact O-N 3.26Å
559	H	98.6	Very high	98.1	Very high	22 Å²	22	43.4 Å²	43.4	10%	0.102	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-17.5	-166.7	74.8	77.4	0	0	0	115.3	S556 V768 G774 Y777 R797	S556-H559 PolarHBondContact O-CD2 3.22Å; H559-V768 WeakPolarHBondContact CD2-CG2 3.48Å; H559-G774 WeakPolarHBondContact ND1-CA 3.43Å; H559-Y777 AromaticContact CE1-CD2 3.76Å; H559-Y777 AromaticContact CE1-CE2 3.56Å; H559-Y777 AromaticContact NE2-CD2 3.83Å; H559-Y777 AromaticContact NE2-CE2 3.16Å; H559-Y777 WeakPolarHBondContact NE2-CE2 3.22Å; H559-Y777 AromaticContact NE2-CZ 3.83Å; H559-R797 PolarHBondContact CE1-O 3.35Å
560	N	98.3	Very high	98.1	Very high	26 Å²	26	47.7 Å²	47.7	14%	0.139	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-27.5	177.9	57.7	-68.1	0	0	0	111.9	D558 F562 F563 Q565 P800	D558-N560 PolarHBondContact O-N 3.23Å; N560-F562 PolarHBondContact O-N 3.03Å; N560-F563 WeakPolarHBondContact O-CA 3.47Å; N560-F563 WeakPolarHBondContact O-CB 3.06Å; N560-F563 PolarHBondContact O-N 3.05Å; N560-F563 VanDerWaalsContact O-O 3.08Å; N560-Q565 PolarHBondContact ND2-OE1 3.16Å; N560-Q565 VanDerWaalsContact ND2-OE1 3.08Å; N560-Q565 PolarHBondContact O-NE2 3Å; N560-P800 HydrophobicContact CB-CG 4Å
561	E	97.6	Very high	98.1	Very high	132 Å²	132	45.7 Å²	45.7	62%	0.617	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-9.5	-179.1	-61.5	-167.8	-135.7	0	0	113.8	D558 F563 Q565	D558-E561 PolarHBondContact O-N 3.26Å; E561-F563 PolarHBondContact O-N 3.01Å; E561-Q565 HydrophobicContact CG-CG 4.21Å
562	F	97.4	Very high	98.1	Very high	173 Å²	173	41.4 Å²	41.4	76%	0.759	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-26.2	160.7	-179.6	-93.8	0	0	0	112.4	N560	N560-F562 PolarHBondContact O-N 3.03Å
563	F	97.9	Very high	98.1	Very high	42 Å²	42	41.5 Å²	41.5	18%	0.184	22%	0.215	C	C	.	.	S	Bend	trans	-106.3	146.2	176.3	-51.6	-85.7	0	0	0	110.8	N560 E561 Q565 R797 H798	N560-F563 WeakPolarHBondContact O-CA 3.47Å; N560-F563 WeakPolarHBondContact O-CB 3.06Å; N560-F563 PolarHBondContact O-N 3.05Å; N560-F563 VanDerWaalsContact O-O 3.08Å; E561-F563 PolarHBondContact O-N 3.01Å; F563-Q565 PolarHBondContact O-N 2.83Å; F563-Q565 VanDerWaalsContact O-N 3.08Å; F563-Q565 PolarHBondContact O-NE2 3.43Å; F563-R797 HydrophobicContact CE2-CG 3.78Å; F563-R797 HydrophobicContact CZ-CG 4.31Å; F563-H798 HydrophobicContact CB-CB 4.34Å; F563-H798 AromaticContact CD1-CD2 3.78Å; F563-H798 AromaticContact CD1-CE1 3.41Å; F563-H798 VanDerWaalsContact CD1-CE1 3.41Å; F563-H798 WeakPolarHBondContact CD1-CE1 3.33Å; F563-H798 AromaticContact CD1-ND1 3.84Å; F563-H798 AromaticContact CD1-NE2 3.37Å; F563-H798 WeakPolarHBondContact CD1-NE2 3.31Å; F563-H798 AromaticContact CE1-CD2 3.96Å; F563-H798 AromaticContact CE1-CE1 3.92Å; F563-H798 AromaticContact CE1-NE2 3.44Å; F563-H798 WeakPolarHBondContact CE1-NE2 3.24Å; F563-H798 AromaticContact CG-CD2 3.81Å; F563-H798 AromaticContact CG-CE1 3.93Å; F563-H798 AromaticContact CG-CG 3.82Å; F563-H798 AromaticContact CG-ND1 3.88Å; F563-H798 AromaticContact CG-NE2 3.9Å
564	A	97.4	Very high	98	Very high	34 Å²	34	43.7 Å²	43.7	28%	0.281	23%	0.229	S	C	.	.			trans	-52.4	111.2	177.5	0	0	0	0	0	113	G277 F799	G277-A564 VanDerWaalsContact C-CB 3.43Å; A564-F799 WeakPolarHBondContact O-CE1 3.4Å
565	Q	98.4	Very high	98	Very high	54 Å²	54	46.1 Å²	46.1	25%	0.252	24%	0.243	S	C	.	.			trans	-82.9	168	-178	-65.2	-55.4	-68.8	0	0	113.3	A279 N560 E561 F563 H798	A279-Q565 WeakPolarHBondContact CB-O 3.41Å; A279-Q565 PolarHBondContact N-O 3.07Å; N560-Q565 PolarHBondContact ND2-OE1 3.16Å; N560-Q565 VanDerWaalsContact ND2-OE1 3.08Å; N560-Q565 PolarHBondContact O-NE2 3Å; E561-Q565 HydrophobicContact CG-CG 4.21Å; F563-Q565 PolarHBondContact O-N 2.83Å; F563-Q565 VanDerWaalsContact O-N 3.08Å; F563-Q565 PolarHBondContact O-NE2 3.43Å; Q565-H798 PolarHBondContact NE2-O 2.93Å; Q565-H798 PolarHBondContact OE1-O 3.14Å
566	F	98.3	Very high	97.9	Very high	28 Å²	28	43.7 Å²	43.7	12%	0.123	23%	0.234	C	C	.	.			trans	-69.4	131.6	174.5	-76.3	-76.5	0	0	0	111.1	A279 L280 G439 V441 N443 F799 T804 L808	A279-F566 HydrophobicContact CB-CB 4.39Å; A279-F566 HydrophobicContact CB-CD1 3.55Å; A279-F566 HydrophobicContact CB-CD2 3.96Å; A279-F566 HydrophobicContact CB-CE1 3.56Å; A279-F566 HydrophobicContact CB-CE2 4Å; A279-F566 HydrophobicContact CB-CG 3.72Å; A279-F566 HydrophobicContact CB-CZ 3.79Å; L280-F566 HydrophobicContact CD1-CE1 3.92Å; L280-F566 HydrophobicContact CD1-CZ 3.8Å; L280-F566 HydrophobicContact CG-CE1 4.06Å; L280-F566 HydrophobicContact CG-CZ 3.95Å; G439-F566 WeakPolarHBondContact O-CB 3.45Å; V441-F566 WeakPolarHBondContact O-CD1 3.37Å; N443-F566 HydrophobicContact CB-CD1 3.93Å; N443-F566 HydrophobicContact CB-CE1 4.16Å; F566-F799 AromaticContact CD2-CD1 3.67Å; F566-F799 HydrophobicContact CD2-CD1 3.67Å; F566-F799 AromaticContact CD2-CE1 3.79Å; F566-F799 HydrophobicContact CD2-CE1 3.79Å; F566-F799 HydrophobicContact CD2-CG 4.19Å; F566-F799 HydrophobicContact CD2-CZ 4.38Å; F566-F799 HydrophobicContact CE2-CB 4.41Å; F566-F799 AromaticContact CE2-CD1 3.5Å; F566-F799 HydrophobicContact CE2-CD1 3.5Å; F566-F799 AromaticContact CE2-CD2 3.79Å; F566-F799 HydrophobicContact CE2-CD2 3.79Å; F566-F799 AromaticContact CE2-CE1 3.6Å; F566-F799 HydrophobicContact CE2-CE1 3.6Å; F566-F799 AromaticContact CE2-CE2 3.87Å; F566-F799 HydrophobicContact CE2-CE2 3.87Å; F566-F799 AromaticContact CE2-CG 3.61Å; F566-F799 HydrophobicContact CE2-CG 3.61Å; F566-F799 AromaticContact CE2-CZ 3.79Å; F566-F799 HydrophobicContact CE2-CZ 3.79Å; F566-F799 HydrophobicContact CZ-CD2 4.42Å; F566-F799 HydrophobicContact CZ-CE1 4.4Å; F566-F799 HydrophobicContact CZ-CE2 4.19Å; F566-F799 HydrophobicContact CZ-CZ 4.19Å; F566-T804 HydrophobicContact CD2-CG2 4.2Å; F566-T804 HydrophobicContact CE1-CG2 4.48Å; F566-T804 HydrophobicContact CE2-CG2 3.51Å; F566-T804 HydrophobicContact CZ-CG2 3.7Å; F566-L808 HydrophobicContact CE2-CD1 4.14Å; F566-L808 HydrophobicContact CZ-CD1 3.84Å
567	A	96.9	Very high	98	Very high	35 Å²	35	43.4 Å²	43.4	29%	0.289	23%	0.231	S	C	.	.	B	Isolated β-bridge	trans	-107.4	170.2	-171.8	0	0	0	0	0	113.2	K278 G439 C440 V441	K278-A567 HydrophobicContact CB-CB 4Å; G439-A567 CarbonylContact C-O 3.12Å; G439-A567 WeakPolarHBondContact CA-O 3.42Å; C440-A567 PolarHBondContact N-O 2.91Å; V441-A567 HydrophobicContact CB-CB 4.4Å; V441-A567 VanDerWaalsContact CB-O 3.3Å; V441-A567 WeakPolarHBondContact CB-O 3.23Å; V441-A567 WeakPolarHBondContact CG2-O 3.47Å; V441-A567 PolarHBondContact N-O 2.91Å
568	G	96	Very high	97.9	Very high	50 Å²	50	41.1 Å²	41.1	52%	0.515	22%	0.224	S	C	.	.	S	Bend	trans	77.9	-154.7	175.4	0	0	0	0	0	113.7	H570	G568-H570 PolarHBondContact O-N 2.89Å
569	D	98	Very high	97.9	Very high	24 Å²	24	41.9 Å²	41.9	13%	0.128	23%	0.23	C	C	.	.			trans	-60	135.2	-167.9	-55.5	-38.9	0	0	0	113.1	K265 Y266 C440 K458 T571	K265-D569 WeakPolarHBondContact CE-OD2 3.25Å; K265-D569 IonicContact NZ-OD2 3.63Å; K265-D569 PolarHBondContact NZ-OD2 2.62Å; Y266-D569 HydrophobicContact CE1-CB 4.13Å; Y266-D569 WeakPolarHBondContact CE1-OD2 3.34Å; Y266-D569 PolarHBondContact OH-OD2 2.81Å; C440-D569 WeakPolarHBondContact CB-O 3.47Å; C440-D569 PolarHBondContact N-O 3.29Å; C440-D569 PolarHBondContact SG-O 2.9Å; K458-D569 HydrophobicContact CD-CB 4.25Å; K458-D569 VanDerWaalsContact CD-OD1 3.3Å; K458-D569 WeakPolarHBondContact CD-OD1 3.44Å; K458-D569 WeakPolarHBondContact CE-OD1 3.24Å; K458-D569 HydrophobicContact CG-CB 4.23Å; K458-D569 IonicContact NZ-OD1 3.66Å; K458-D569 PolarHBondContact NZ-OD1 2.89Å; D569-T571 HydrophobicContact CB-CG2 4.08Å
570	H	98.4	Very high	97.9	Very high	92 Å²	92	41 Å²	41	43%	0.426	23%	0.226	S	C	.	.			trans	-82.9	138	156.9	-69.9	-121	0	0	0	108.1	V437 N438 L459 G568	V437-H570 WeakPolarHBondContact O-CA 3.4Å; N438-H570 PolarHBondContact OD1-ND1 3.11Å; L459-H570 HydrophobicContact CD1-CB 4.5Å; L459-H570 PolarHBondContact N-O 2.87Å; L459-H570 VanDerWaalsContact N-O 3.12Å; G568-H570 PolarHBondContact O-N 2.89Å
571	T	98.8	Very high	97.9	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	149	-174	62.8	0	0	0	0	113.3	I436 V437 C440 M456 H457 D569	I436-T571 CarbonylContact C-O 3.59Å; I436-T571 VanDerWaalsContact CA-O 3.3Å; I436-T571 WeakPolarHBondContact CA-O 3.29Å; V437-T571 PolarHBondContact N-O 2.99Å; V437-T571 PolarHBondContact O-N 3.13Å; C440-T571 VanDerWaalsContact SG-CG2 3.51Å; C440-T571 PolarHBondContact SG-OG1 3.03Å; M456-T571 HydrophobicContact CB-CG2 4.07Å; H457-T571 CarbonylContact O-C 3.59Å; H457-T571 WeakPolarHBondContact O-CA 3.34Å; H457-T571 WeakPolarHBondContact O-CB 3.22Å; D569-T571 HydrophobicContact CB-CG2 4.08Å
572	L	98.7	Very high	98	Very high	11 Å²	11	37.3 Å²	37.3	6%	0.058	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	122.3	164.7	179.3	66.2	0	0	0	109	Q435 H457 L459 T574 M698 P700	Q435-L572 HydrophobicContact CB-CD1 4.2Å; Q435-L572 HydrophobicContact CG-CD1 3.75Å; H457-L572 HydrophobicContact CB-CB 4.4Å; H457-L572 PolarHBondContact N-O 2.91Å; H457-L572 PolarHBondContact O-N 2.79Å; L459-L572 HydrophobicContact CD2-CB 4.13Å; L572-T574 HydrophobicContact CD2-CG2 4.13Å; L572-T574 HydrophobicContact CG-CG2 4.21Å; L572-T574 PolarHBondContact O-N 3.39Å; L572-T574 VanDerWaalsContact O-N 3.11Å; L572-M698 HydrophobicContact CD1-CE 4.03Å; L572-M698 HydrophobicContact CD2-CE 4.29Å; L572-P700 HydrophobicContact CD2-CG 4.09Å
573	L	98.3	Very high	98	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	18%	0.183	C	C	.	.			trans	-81	86.9	170	-173.6	58.4	0	0	0	108.8	Q435 V437 I454 M456 V575 G576 Y577	Q435-L573 WeakPolarHBondContact CG-O 3.44Å; Q435-L573 PolarHBondContact NE2-O 3.18Å; Q435-L573 WeakPolarHBondContact O-CB 3.39Å; Q435-L573 PolarHBondContact O-N 2.79Å; V437-L573 HydrophobicContact CG2-CB 4.48Å; I454-L573 HydrophobicContact CG2-CD1 3.86Å; M456-L573 HydrophobicContact CG-CD1 4.03Å; L573-V575 VanDerWaalsContact C-N 3.25Å; L573-V575 HydrophobicContact CD1-CG2 3.89Å; L573-V575 HydrophobicContact CG-CG2 4.27Å; L573-V575 PolarHBondContact O-N 2.68Å; L573-G576 WeakPolarHBondContact O-CA 3.4Å; L573-G576 PolarHBondContact O-N 2.9Å; L573-Y577 HydrophobicContact CD2-CD1 3.68Å; L573-Y577 HydrophobicContact CD2-CD2 4.17Å; L573-Y577 HydrophobicContact CD2-CE1 4.09Å; L573-Y577 HydrophobicContact CD2-CG 3.75Å
574	T	97.4	Very high	98.1	Very high	47 Å²	47	28.6 Å²	28.6	29%	0.288	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-30.1	-172.2	52	0	0	0	0	113.8	H457 L572 G576 P700	H457-T574 HydrophobicContact CB-CG2 4.01Å; L572-T574 HydrophobicContact CD2-CG2 4.13Å; L572-T574 HydrophobicContact CG-CG2 4.21Å; L572-T574 PolarHBondContact O-N 3.39Å; L572-T574 VanDerWaalsContact O-N 3.11Å; T574-G576 VanDerWaalsContact C-N 3.28Å; T574-G576 PolarHBondContact O-N 2.76Å; T574-P700 HydrophobicContact CG2-CG 3.93Å
575	V	97.3	Very high	98.1	Very high	50 Å²	50	27.6 Å²	27.6	30%	0.303	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-0.7	174.4	-58.2	0	0	0	0	114.2	I454 L573 T579	I454-V575 HydrophobicContact CD1-CG2 3.9Å; I454-V575 HydrophobicContact CG1-CG2 4.17Å; I454-V575 HydrophobicContact CG2-CG2 3.6Å; L573-V575 VanDerWaalsContact C-N 3.25Å; L573-V575 HydrophobicContact CD1-CG2 3.89Å; L573-V575 HydrophobicContact CG-CG2 4.27Å; L573-V575 PolarHBondContact O-N 2.68Å; V575-T579 PolarHBondContact O-OG1 3.28Å
576	G	97.9	Very high	98.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	153.9	-177.2	0	0	0	0	0	114.5	D421 L573 T574 S578	D421-G576 WeakPolarHBondContact OD2-CA 3.33Å; L573-G576 WeakPolarHBondContact O-CA 3.4Å; L573-G576 PolarHBondContact O-N 2.9Å; T574-G576 VanDerWaalsContact C-N 3.28Å; T574-G576 PolarHBondContact O-N 2.76Å; G576-S578 PolarHBondContact O-N 3.45Å
577	Y	98.6	Very high	98	Very high	6 Å²	6	33.4 Å²	33.4	2%	0.024	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-21.7	175.3	-84.3	-78.6	0	0	0	112.7	V419 D421 A434 I436 V437 M445 L573 T579 V580 I581 V803	V419-Y577 HydrophobicContact CG2-CG 4.42Å; D421-Y577 PolarHBondContact OD2-N 2.85Å; A434-Y577 HydrophobicContact CB-CD2 3.85Å; A434-Y577 HydrophobicContact CB-CE2 3.82Å; A434-Y577 WeakPolarHBondContact O-CD2 3.45Å; I436-Y577 WeakPolarHBondContact O-CE2 3.37Å; I436-Y577 PolarHBondContact O-OH 2.88Å; V437-Y577 HydrophobicContact CG2-CE1 4.45Å; V437-Y577 WeakPolarHBondContact CG2-OH 3.5Å; M445-Y577 HydrophobicContact CB-CE1 4.47Å; M445-Y577 HydrophobicContact CG-CE1 3.87Å; M445-Y577 HydrophobicContact SD-CD1 4.15Å; M445-Y577 HydrophobicContact SD-CE1 3.69Å; L573-Y577 HydrophobicContact CD2-CD1 3.68Å; L573-Y577 HydrophobicContact CD2-CD2 4.17Å; L573-Y577 HydrophobicContact CD2-CE1 4.09Å; L573-Y577 HydrophobicContact CD2-CG 3.75Å; Y577-T579 PolarHBondContact O-N 3.12Å; Y577-V580 PolarHBondContact O-N 3.5Å; Y577-I581 PolarHBondContact O-N 3.38Å; Y577-V803 HydrophobicContact CD1-CB 4.29Å; Y577-V803 HydrophobicContact CD1-CG1 3.87Å; Y577-V803 HydrophobicContact CD1-CG2 4.32Å; Y577-V803 HydrophobicContact CD2-CG2 4.32Å; Y577-V803 HydrophobicContact CE1-CB 3.84Å; Y577-V803 HydrophobicContact CE1-CG1 3.84Å; Y577-V803 HydrophobicContact CE1-CG2 4.09Å; Y577-V803 HydrophobicContact CE2-CG2 4.1Å; Y577-V803 HydrophobicContact CG-CG2 4.42Å
578	S	98.3	Very high	98.1	Very high	12 Å²	12	32.8 Å²	32.8	8%	0.084	21%	0.205	C	C	.	.	H	α-helix	trans	-50.6	-45.1	174.4	50.6	0	0	0	0	111.2	D421 K423 G576 V580 I581 D582	D421-S578 WeakPolarHBondContact OD2-CA 3.3Å; D421-S578 WeakPolarHBondContact OD2-CB 3.33Å; D421-S578 PolarHBondContact OD2-N 3.26Å; D421-S578 PolarHBondContact OD2-OG 3.47Å; K423-S578 WeakPolarHBondContact CE-OG 3.35Å; K423-S578 PolarHBondContact NZ-OG 3.47Å; G576-S578 PolarHBondContact O-N 3.45Å; S578-V580 PolarHBondContact O-N 3.38Å; S578-V580 VanDerWaalsContact O-N 3.11Å; S578-I581 CarbonylContact O-C 3.51Å; S578-I581 WeakPolarHBondContact O-CA 3.5Å; S578-I581 WeakPolarHBondContact O-CB 3.47Å; S578-I581 PolarHBondContact O-N 2.81Å; S578-D582 VanDerWaalsContact O-CB 3.3Å; S578-D582 WeakPolarHBondContact O-CB 3.48Å; S578-D582 PolarHBondContact O-N 3.08Å; S578-D582 VanDerWaalsContact O-OD2 3.09Å
579	T	98.1	Very high	98.2	Very high	40 Å²	40	33.7 Å²	33.7	25%	0.245	20%	0.198	C	C	.	.	H	α-helix	trans	-55.5	-35	179	-53	0	0	0	0	113.2	I454 V575 Y577 T583	I454-T579 HydrophobicContact CD1-CG2 3.99Å; V575-T579 PolarHBondContact O-OG1 3.28Å; Y577-T579 PolarHBondContact O-N 3.12Å; T579-T583 PolarHBondContact O-N 3.41Å; T579-T583 PolarHBondContact O-OG1 2.92Å
580	V	98.1	Very high	98.3	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.024	20%	0.2	C	C	.	.	H	α-helix	trans	-77.4	-41.9	174.6	-179.8	0	0	0	0	111.4	I364 M448 L452 Y577 S578 T583 L584	I364-V580 HydrophobicContact CG2-CG1 4.08Å; M448-V580 HydrophobicContact CB-CG1 4.04Å; M448-V580 HydrophobicContact CE-CG1 3.85Å; M448-V580 HydrophobicContact CG-CG1 4.42Å; M448-V580 HydrophobicContact SD-CG1 3.59Å; M448-V580 VanDerWaalsContact SD-CG1 3.59Å; L452-V580 HydrophobicContact CD1-CG2 4.28Å; Y577-V580 PolarHBondContact O-N 3.5Å; S578-V580 PolarHBondContact O-N 3.38Å; S578-V580 VanDerWaalsContact O-N 3.11Å; V580-T583 PolarHBondContact O-N 3.28Å; V580-L584 HydrophobicContact CG1-CD1 4.29Å; V580-L584 WeakPolarHBondContact O-CG 3.17Å; V580-L584 PolarHBondContact O-N 3.02Å
581	I	98.6	Very high	98.3	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.026	20%	0.197	C	C	.	.	H	α-helix	trans	-62.7	-45.5	177.9	-73.3	-65	0	0	0	112.3	A390 L393 I415 V419 Y577 S578 T583 L584 A585	A390-I581 HydrophobicContact CB-CD1 3.92Å; L393-I581 HydrophobicContact CD1-CD1 4.19Å; L393-I581 HydrophobicContact CD1-CG2 3.77Å; I415-I581 HydrophobicContact CD1-CG2 3.9Å; I415-I581 HydrophobicContact CG1-CG2 4.11Å; V419-I581 HydrophobicContact CB-CG1 3.97Å; V419-I581 HydrophobicContact CG1-CG1 3.82Å; V419-I581 HydrophobicContact CG2-CD1 4.43Å; V419-I581 HydrophobicContact CG2-CG1 4.07Å; Y577-I581 PolarHBondContact O-N 3.38Å; S578-I581 CarbonylContact O-C 3.51Å; S578-I581 WeakPolarHBondContact O-CA 3.5Å; S578-I581 WeakPolarHBondContact O-CB 3.47Å; S578-I581 PolarHBondContact O-N 2.81Å; I581-T583 VanDerWaalsContact C-N 3.31Å; I581-T583 PolarHBondContact O-N 3.1Å; I581-L584 PolarHBondContact O-N 3.44Å; I581-A585 WeakPolarHBondContact O-CB 3.37Å; I581-A585 PolarHBondContact O-N 2.81Å
582	D	98.6	Very high	98.3	Very high	75 Å²	75	37.4 Å²	37.4	40%	0.401	21%	0.213	S	C	.	.	H	α-helix	trans	-60.7	-42.3	178.9	-59.9	-24.2	0	0	0	109.6	K423 S578 A585 E586	K423-D582 IonicContact NZ-OD2 2.9Å; K423-D582 PolarHBondContact NZ-OD2 2.84Å; S578-D582 VanDerWaalsContact O-CB 3.3Å; S578-D582 WeakPolarHBondContact O-CB 3.48Å; S578-D582 PolarHBondContact O-N 3.08Å; S578-D582 VanDerWaalsContact O-OD2 3.09Å; D582-A585 PolarHBondContact O-N 3.45Å; D582-E586 PolarHBondContact O-N 3.42Å
583	T	98.4	Very high	98.3	Very high	30 Å²	30	41.3 Å²	41.3	18%	0.184	23%	0.234	C	C	.	.	H	α-helix	trans	-72.4	-38.5	176.6	-45.7	0	0	0	0	112.7	I364 L452 T579 V580 I581 A585 E586	I364-T583 HydrophobicContact CB-CG2 3.87Å; I364-T583 HydrophobicContact CD1-CG2 4.23Å; I364-T583 HydrophobicContact CG1-CG2 4.46Å; I364-T583 HydrophobicContact CG2-CG2 4.21Å; L452-T583 HydrophobicContact CD2-CG2 4.26Å; T579-T583 PolarHBondContact O-N 3.41Å; T579-T583 PolarHBondContact O-OG1 2.92Å; V580-T583 PolarHBondContact O-N 3.28Å; I581-T583 VanDerWaalsContact C-N 3.31Å; I581-T583 PolarHBondContact O-N 3.1Å; T583-A585 PolarHBondContact O-N 3.46Å; T583-E586 WeakPolarHBondContact O-CB 3.3Å; T583-E586 PolarHBondContact O-N 2.9Å; T583-E586 VanDerWaalsContact O-N 3.16Å
584	L	98.6	Very high	98.2	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.016	24%	0.244	C	C	.	.	H	α-helix	trans	-59.9	-36.2	174.1	-75.9	173.1	0	0	0	111.7	G363 I364 L393 R397 M448 V580 I581 E586 L588 Y807	G363-L584 WeakPolarHBondContact O-CD2 3.23Å; I364-L584 HydrophobicContact CG2-CD2 4.1Å; I364-L584 HydrophobicContact CG2-CG 4.12Å; L393-L584 HydrophobicContact CB-CB 4.17Å; R397-L584 HydrophobicContact CB-CD2 4.08Å; R397-L584 HydrophobicContact CG-CD2 3.84Å; R397-L584 PolarHBondContact NH1-O 2.86Å; M448-L584 HydrophobicContact SD-CD1 4.28Å; M448-L584 HydrophobicContact SD-CD2 4.14Å; M448-L584 HydrophobicContact SD-CG 4.41Å; V580-L584 HydrophobicContact CG1-CD1 4.29Å; V580-L584 WeakPolarHBondContact O-CG 3.17Å; V580-L584 PolarHBondContact O-N 3.02Å; I581-L584 PolarHBondContact O-N 3.44Å; L584-E586 VanDerWaalsContact C-N 3.32Å; L584-E586 PolarHBondContact O-N 3.25Å; L584-L588 VanDerWaalsContact O-CD1 3.29Å; L584-L588 WeakPolarHBondContact O-CD1 3.18Å; L584-Y807 HydrophobicContact CD1-CD2 4.24Å; L584-Y807 HydrophobicContact CD1-CE2 4.33Å; L584-Y807 HydrophobicContact CD2-CE2 4.33Å
585	A	98.7	Very high	98.3	Very high	12 Å²	12	42.3 Å²	42.3	10%	0.099	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-13.8	178.2	0	0	0	0	0	114.7	L393 I415 I581 D582 T583 G587 L588 I590	L393-A585 HydrophobicContact CD1-CB 4.3Å; L393-A585 HydrophobicContact CD2-CB 3.98Å; I415-A585 HydrophobicContact CD1-CB 3.55Å; I581-A585 WeakPolarHBondContact O-CB 3.37Å; I581-A585 PolarHBondContact O-N 2.81Å; D582-A585 PolarHBondContact O-N 3.45Å; T583-A585 PolarHBondContact O-N 3.46Å; A585-G587 PolarHBondContact O-N 2.98Å; A585-L588 PolarHBondContact O-N 2.98Å; A585-I590 HydrophobicContact CB-CD1 3.69Å
586	E	98.2	Very high	98.3	Very high	133 Å²	133	40.4 Å²	40.4	62%	0.621	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	122.8	-170.5	-165.7	-179.4	165.2	0	0	112.6	R397 D582 T583 L584 L588	R397-E586 PolarHBondContact NH1-O 3.23Å; D582-E586 PolarHBondContact O-N 3.42Å; T583-E586 WeakPolarHBondContact O-CB 3.3Å; T583-E586 PolarHBondContact O-N 2.9Å; T583-E586 VanDerWaalsContact O-N 3.16Å; L584-E586 VanDerWaalsContact C-N 3.32Å; L584-E586 PolarHBondContact O-N 3.25Å; E586-L588 VanDerWaalsContact C-N 3.34Å; E586-L588 PolarHBondContact O-N 3.37Å
587	G	97	Very high	98.4	Very high	72 Å²	72	44.4 Å²	44.4	74%	0.742	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.1	5.2	179.6	0	0	0	0	0	115.8	A585	A585-G587 PolarHBondContact O-N 2.98Å
588	L	98.4	Very high	98.4	Very high	22 Å²	22	45.5 Å²	45.5	12%	0.115	25%	0.252	C	S	.	.			trans	-88.4	149.3	179	-56	-175.7	0	0	0	112.4	A396 H400 L584 A585 E586 I590	A396-L588 HydrophobicContact CB-CD1 3.65Å; H400-L588 HydrophobicContact CB-CD2 3.61Å; L584-L588 VanDerWaalsContact O-CD1 3.29Å; L584-L588 WeakPolarHBondContact O-CD1 3.18Å; A585-L588 PolarHBondContact O-N 2.98Å; E586-L588 VanDerWaalsContact C-N 3.34Å; E586-L588 PolarHBondContact O-N 3.37Å; L588-I590 HydrophobicContact CB-CD1 4.16Å; L588-I590 HydrophobicContact CB-CG1 4.01Å; L588-I590 PolarHBondContact O-N 2.93Å
589	D	98.5	Very high	98.4	Very high	68 Å²	68	45 Å²	45	36%	0.364	25%	0.248	S	C	.	.			trans	-77.5	100	171.2	-169.6	-6.2	0	0	0	110.2	V407 V408 R591	V407-D589 HydrophobicContact CG2-CB 4.41Å; V408-D589 PolarHBondContact N-O 3.42Å; D589-R591 VanDerWaalsContact CG-NH2 3.28Å; D589-R591 IonicContact OD1-CZ 2.66Å; D589-R591 IonicContact OD1-NE 3.57Å; D589-R591 PolarHBondContact OD1-NE 3.5Å; D589-R591 IonicContact OD1-NH2 2.71Å; D589-R591 PolarHBondContact OD1-NH2 3.47Å; D589-R591 IonicContact OD2-CZ 2.88Å; D589-R591 IonicContact OD2-NE 3.36Å; D589-R591 IonicContact OD2-NH2 3.43Å; D589-R591 PolarHBondContact OD2-NH2 3.48Å
590	I	98.8	Very high	98.4	Very high	36 Å²	36	45.1 Å²	45.1	19%	0.185	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	126	-178.1	-55.1	174.1	0	0	0	109.7	A388 L393 V408 I415 A585 L588 L592	A388-I590 HydrophobicContact CB-CG2 4.27Å; L393-I590 HydrophobicContact CD2-CD1 3.77Å; V408-I590 HydrophobicContact CB-CB 4.46Å; V408-I590 HydrophobicContact CB-CG1 4.09Å; V408-I590 HydrophobicContact CB-CG2 4.35Å; V408-I590 HydrophobicContact CG2-CG1 4.18Å; V408-I590 WeakPolarHBondContact O-CA 3.47Å; I415-I590 HydrophobicContact CG2-CD1 4.23Å; I415-I590 HydrophobicContact CG2-CG2 4.06Å; A585-I590 HydrophobicContact CB-CD1 3.69Å; L588-I590 HydrophobicContact CB-CD1 4.16Å; L588-I590 HydrophobicContact CB-CG1 4.01Å; L588-I590 PolarHBondContact O-N 2.93Å; I590-L592 HydrophobicContact CG2-CD2 4.08Å; I590-L592 HydrophobicContact CG2-CG 4.47Å
591	R	98.6	Very high	98.4	Very high	94 Å²	94	45.7 Å²	45.7	36%	0.355	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	103.1	179.4	-53	-62.7	167.6	136.8	0.2	109.7	V407 V408 L409 E410 D589 F594 W616	V407-R591 HydrophobicContact CG2-CG 4.07Å; V408-R591 PolarHBondContact O-N 2.99Å; L409-R591 HydrophobicContact CD2-CB 3.8Å; L409-R591 HydrophobicContact CD2-CG 3.93Å; E410-R591 PolarHBondContact N-O 3.4Å; D589-R591 VanDerWaalsContact CG-NH2 3.28Å; D589-R591 IonicContact OD1-CZ 2.66Å; D589-R591 IonicContact OD1-NE 3.57Å; D589-R591 PolarHBondContact OD1-NE 3.5Å; D589-R591 IonicContact OD1-NH2 2.71Å; D589-R591 PolarHBondContact OD1-NH2 3.47Å; D589-R591 IonicContact OD2-CZ 2.88Å; D589-R591 IonicContact OD2-NE 3.36Å; D589-R591 IonicContact OD2-NH2 3.43Å; D589-R591 PolarHBondContact OD2-NH2 3.48Å; R591-F594 HydrophobicContact CB-CB 4.24Å; R591-F594 HydrophobicContact CB-CD1 4.37Å; R591-F594 HydrophobicContact CB-CD2 3.6Å; R591-F594 HydrophobicContact CB-CE2 4.05Å; R591-F594 HydrophobicContact CB-CG 3.8Å; R591-W616 HydrophobicContact CG-CH2 3.85Å; R591-W616 HydrophobicContact CG-CZ2 4.06Å
592	L	98.7	Very high	98.3	Very high	65 Å²	65	49.3 Å²	49.3	34%	0.34	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	144.5	177.2	-60.3	175.7	0	0	0	110.5	E410 K412 I415 I590 F594	E410-L592 HydrophobicContact CB-CD2 4.01Å; E410-L592 HydrophobicContact CG-CD2 3.89Å; K412-L592 CarbonylContact O-C 3.59Å; K412-L592 WeakPolarHBondContact O-CA 3.5Å; K412-L592 WeakPolarHBondContact O-CB 3.28Å; I415-L592 HydrophobicContact CG2-CD2 3.93Å; I590-L592 HydrophobicContact CG2-CD2 4.08Å; I590-L592 HydrophobicContact CG2-CG 4.47Å; L592-F594 WeakPolarHBondContact O-CD2 3.39Å
593	N	98.2	Very high	98.1	Very high	92 Å²	92	48.1 Å²	48.1	49%	0.492	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	32.1	-170.6	-45.4	-79.7	0	0	0	114.1	E410 K412 D413 P595	E410-N593 PolarHBondContact O-N 2.89Å; K412-N593 PolarHBondContact O-N 2.85Å; D413-N593 WeakPolarHBondContact CA-OD1 3.26Å; D413-N593 PolarHBondContact N-OD1 3.42Å; N593-P595 WeakPolarHBondContact O-CD 3.38Å
594	F	97.9	Very high	97.7	Very high	51 Å²	51	56.4 Å²	56.4	22%	0.224	32%	0.317	C	S	.	.			trans	-109.3	69.4	172.3	-78.7	-109.9	0	0	0	110.6	L409 E410 R591 L592 V596 T610 T614 W616	L409-F594 HydrophobicContact CB-CB 4.25Å; L409-F594 HydrophobicContact CD2-CB 4.25Å; L409-F594 HydrophobicContact CD2-CD1 4.44Å; E410-F594 PolarHBondContact O-N 3.44Å; R591-F594 HydrophobicContact CB-CB 4.24Å; R591-F594 HydrophobicContact CB-CD1 4.37Å; R591-F594 HydrophobicContact CB-CD2 3.6Å; R591-F594 HydrophobicContact CB-CE2 4.05Å; R591-F594 HydrophobicContact CB-CG 3.8Å; L592-F594 WeakPolarHBondContact O-CD2 3.39Å; F594-V596 PolarHBondContact O-N 3.4Å; F594-V596 VanDerWaalsContact O-N 3.15Å; F594-T610 HydrophobicContact CB-CG2 4.05Å; F594-T610 HydrophobicContact CD1-CG2 3.85Å; F594-T610 HydrophobicContact CG-CG2 4.4Å; F594-T614 HydrophobicContact CE1-CG2 4.44Å; F594-W616 HydrophobicContact CD1-CZ2 4.01Å; F594-W616 AromaticContact CD1-NE1 3.66Å; F594-W616 AromaticContact CE1-CZ2 3.72Å; F594-W616 HydrophobicContact CE1-CZ2 3.72Å; F594-W616 AromaticContact CE1-NE1 3.87Å; F594-W616 HydrophobicContact CZ-CZ2 4.47Å
595	P	98.3	Very high	97.5	Very high	18 Å²	18	59.9 Å²	59.9	12%	0.117	33%	0.333	C	S	.	.			trans	-66	114.3	176.3	27.9	-34.1	0	0	0	110.2	A411 N593 T610 A611 W760	A411-P595 HydrophobicContact CB-CB 3.84Å; N593-P595 WeakPolarHBondContact O-CD 3.38Å; P595-T610 CarbonylContact O-C 3.52Å; P595-T610 WeakPolarHBondContact O-CA 3.38Å; P595-T610 WeakPolarHBondContact O-CB 3.39Å; P595-A611 HydrophobicContact CG-CB 4.01Å; P595-A611 PolarHBondContact O-N 3.37Å; P595-W760 HydrophobicContact CB-CH2 3.55Å; P595-W760 HydrophobicContact CB-CZ2 3.54Å; P595-W760 HydrophobicContact CB-CZ3 4.21Å; P595-W760 HydrophobicContact CG-CH2 4.42Å; P595-W760 HydrophobicContact CG-CZ2 4.15Å
596	V	98.6	Very high	97.5	Very high	11 Å²	11	59.4 Å²	59.4	7%	0.067	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	132.6	174.4	174.4	0	0	0	0	109.9	V386 L409 F594 I599 V608 I635	V386-V596 HydrophobicContact CB-CG2 4.47Å; V386-V596 HydrophobicContact CG1-CB 3.9Å; V386-V596 HydrophobicContact CG1-CG2 3.68Å; V386-V596 HydrophobicContact CG2-CG2 4Å; L409-V596 HydrophobicContact CB-CG2 4.15Å; L409-V596 HydrophobicContact CD1-CG2 3.94Å; F594-V596 PolarHBondContact O-N 3.4Å; F594-V596 VanDerWaalsContact O-N 3.15Å; V596-I599 HydrophobicContact CG1-CD1 4.3Å; V596-I599 HydrophobicContact CG1-CG1 3.9Å; V596-V608 HydrophobicContact CB-CG1 4.26Å; V596-V608 HydrophobicContact CG1-CG1 3.6Å; V596-V608 HydrophobicContact CG2-CG1 3.6Å; V596-I635 HydrophobicContact CB-CD1 4.28Å; V596-I635 HydrophobicContact CG1-CD1 4.1Å; V596-I635 HydrophobicContact CG1-CG1 4.29Å; V596-I635 HydrophobicContact CG1-CG2 4.21Å
597	H	98.2	Very high	97.5	Very high	83 Å²	83	57.7 Å²	57.7	38%	0.384	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	-36.9	178.8	-177.7	56.2	0	0	0	112.5	T609 A611 I635 Q636	H597-T609 PolarHBondContact N-O 3.02Å; H597-A611 HydrophobicContact CB-CB 4.42Å; H597-I635 WeakPolarHBondContact O-CA 3.39Å; H597-Q636 PolarHBondContact NE2-NE2 2.71Å; H597-Q636 PolarHBondContact O-N 2.96Å
598	S	98.6	Very high	97.6	Very high	30 Å²	30	54.3 Å²	54.3	21%	0.21	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	153.4	175.3	66.5	0	0	0	0	113.4	T609 Q636	S598-T609 PolarHBondContact N-O 2.82Å; S598-T609 VanDerWaalsContact N-O 3.13Å; S598-T609 PolarHBondContact O-N 2.73Å; S598-T609 WeakPolarHBondContact OG-CB 3.44Å; S598-T609 PolarHBondContact OG-OG1 3.45Å; S598-Q636 CarbonylContact C-O 3.06Å; S598-Q636 VanDerWaalsContact CA-O 3.24Å; S598-Q636 WeakPolarHBondContact CA-O 3.29Å
599	I	98.8	Very high	97.6	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	110.3	174.9	-61	178	0	0	0	107.5	V386 V596 V606 Q607 V608 V621 V623 I635 Q636 F637 N638 I788	V386-I599 HydrophobicContact CG2-CD1 4.38Å; V596-I599 HydrophobicContact CG1-CD1 4.3Å; V596-I599 HydrophobicContact CG1-CG1 3.9Å; I599-V606 HydrophobicContact CG2-CG1 3.65Å; I599-Q607 WeakPolarHBondContact CA-O 3.38Å; I599-V608 HydrophobicContact CG1-CG1 4.32Å; I599-V608 HydrophobicContact CG1-CG2 4.37Å; I599-V621 HydrophobicContact CD1-CG2 4.31Å; I599-V621 HydrophobicContact CG2-CG1 3.99Å; I599-V623 HydrophobicContact CD1-CG2 3.66Å; I599-I635 HydrophobicContact CB-CG2 4.45Å; I599-I635 HydrophobicContact CD1-CG2 3.9Å; I599-I635 HydrophobicContact CG1-CG2 3.81Å; I599-Q636 PolarHBondContact N-O 3.12Å; I599-F637 HydrophobicContact CB-CD1 4.19Å; I599-F637 HydrophobicContact CB-CE1 4.32Å; I599-F637 HydrophobicContact CD1-CE1 3.9Å; I599-F637 HydrophobicContact CD1-CZ 4.27Å; I599-F637 WeakPolarHBondContact O-CA 3.43Å; I599-N638 PolarHBondContact O-N 3.29Å; I599-I788 HydrophobicContact CG2-CD1 3.69Å
600	D	98.6	Very high	97.5	Very high	42 Å²	42	51.6 Å²	51.6	23%	0.225	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	127.9	172.7	-161.7	-51.3	0	0	0	109.8	S602 V606 Q607 N638	D600-S602 VanDerWaalsContact OD1-CB 3.32Å; D600-S602 WeakPolarHBondContact OD1-CB 3.33Å; D600-S602 PolarHBondContact OD1-N 3.16Å; D600-S602 PolarHBondContact OD1-OG 3.09Å; D600-V606 CarbonylContact O-C 3.55Å; D600-V606 VanDerWaalsContact O-CA 3.28Å; D600-V606 WeakPolarHBondContact O-CA 3.32Å; D600-V606 VanDerWaalsContact O-CG1 3.3Å; D600-V606 WeakPolarHBondContact O-CG1 3.08Å; D600-Q607 HydrophobicContact CB-CB 4.34Å; D600-Q607 PolarHBondContact N-O 3.19Å; D600-Q607 PolarHBondContact O-N 3.18Å; D600-N638 CarbonylContact C-O 3.55Å; D600-N638 WeakPolarHBondContact CA-O 3.17Å; D600-N638 HydrophobicContact CB-CB 4.47Å; D600-N638 PolarHBondContact OD2-ND2 3.16Å
601	Y	98	Very high	97.3	Very high	17 Å²	17	53 Å²	53	7%	0.067	29%	0.29	C	S	.	.			trans	-131.3	27.6	178.7	64.4	-79.4	0	0	0	111.5	F637 N638 P639 I784 I788	Y601-F637 HydrophobicContact CE1-CB 4.44Å; Y601-N638 WeakPolarHBondContact CD1-O 3.47Å; Y601-N638 PolarHBondContact N-O 3.01Å; Y601-P639 WeakPolarHBondContact CE1-O 3.26Å; Y601-P639 HydrophobicContact CE2-CG 4.47Å; Y601-P639 PolarHBondContact OH-O 3Å; Y601-P639 VanDerWaalsContact OH-O 3.05Å; Y601-I784 HydrophobicContact CD2-CG2 4.47Å; Y601-I784 HydrophobicContact CE2-CG2 3.56Å; Y601-I788 HydrophobicContact CD1-CD1 3.23Å; Y601-I788 HydrophobicContact CD1-CG1 4.11Å; Y601-I788 HydrophobicContact CD2-CD1 4.33Å; Y601-I788 HydrophobicContact CD2-CG1 4.4Å; Y601-I788 HydrophobicContact CE1-CD1 3.51Å; Y601-I788 HydrophobicContact CE1-CG1 4.49Å; Y601-I788 HydrophobicContact CG-CD1 3.66Å; Y601-I788 HydrophobicContact CG-CG1 4.02Å
602	S	96.8	Very high	97	Very high	81 Å²	81	56 Å²	56	57%	0.566	31%	0.308	S	S	*	.	S	Bend	trans	-84.2	-15.2	175.7	66.8	0	0	0	0	114.1	D600	D600-S602 VanDerWaalsContact OD1-CB 3.32Å; D600-S602 WeakPolarHBondContact OD1-CB 3.33Å; D600-S602 PolarHBondContact OD1-N 3.16Å; D600-S602 PolarHBondContact OD1-OG 3.09Å
603	G	94	Very high	96.8	Very high	50 Å²	50	55.3 Å²	55.3	52%	0.515	32%	0.317	S	S	.	.	S	Bend	trans	-100.9	-169.1	178.3	0	0	0	0	0	114.6
604	E	90.7	Very high	96.7	Very high	204 Å²	204	53.8 Å²	53.8	95%	0.953	31%	0.311	S	S	*	.	S	Bend	trans	-72.4	-33.8	-179.1	-60.4	-175.5	158.5	0	0	113.6
605	E	94.1	Very high	96.7	Very high	75 Å²	75	54.9 Å²	54.9	35%	0.35	32%	0.321	S	S	.	.	S	Bend	trans	-116.1	152.5	167.1	-73.6	-156.5	148.1	0	0	110.1	T617	E605-T617 WeakPolarHBondContact OE2-CB 3.11Å; E605-T617 PolarHBondContact OE2-OG1 3Å
606	V	97.8	Very high	96.7	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.012	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	132.1	172.1	-174.4	0	0	0	0	109.4	I599 D600 V608 T617 A618 V621 T787	I599-V606 HydrophobicContact CG2-CG1 3.65Å; D600-V606 CarbonylContact O-C 3.55Å; D600-V606 VanDerWaalsContact O-CA 3.28Å; D600-V606 WeakPolarHBondContact O-CA 3.32Å; D600-V606 VanDerWaalsContact O-CG1 3.3Å; D600-V606 WeakPolarHBondContact O-CG1 3.08Å; V606-V608 HydrophobicContact CG1-CG2 4Å; V606-T617 VanDerWaalsContact O-CA 3.27Å; V606-T617 WeakPolarHBondContact O-CA 3.37Å; V606-A618 WeakPolarHBondContact CB-O 3.42Å; V606-A618 PolarHBondContact N-O 2.81Å; V606-A618 PolarHBondContact O-N 3.47Å; V606-A618 VanDerWaalsContact O-N 3.17Å; V606-V621 HydrophobicContact CG1-CB 4.07Å; V606-V621 HydrophobicContact CG1-CG1 3.77Å; V606-V621 HydrophobicContact CG2-CG1 4.27Å; V606-T787 HydrophobicContact CG2-CG2 3.38Å
607	Q	98.6	Very high	96.7	Very high	98 Å²	98	60.1 Å²	60.1	46%	0.458	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	123	170.8	-53.9	-172.2	21.9	0	0	109.9	I599 D600 V615 W616 T617	I599-Q607 WeakPolarHBondContact CA-O 3.38Å; D600-Q607 HydrophobicContact CB-CB 4.34Å; D600-Q607 PolarHBondContact N-O 3.19Å; D600-Q607 PolarHBondContact O-N 3.18Å; Q607-V615 HydrophobicContact CB-CG1 4.13Å; Q607-W616 WeakPolarHBondContact CA-O 3.43Å; Q607-T617 HydrophobicContact CG-CG2 4.24Å
608	V	98.8	Very high	96.7	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	113.3	-179.8	-177.5	0	0	0	0	108.4	I384 L409 V596 I599 V606 W616 V621	I384-V608 HydrophobicContact CB-CG2 4.4Å; I384-V608 HydrophobicContact CD1-CB 4.06Å; I384-V608 HydrophobicContact CD1-CG2 3.73Å; I384-V608 HydrophobicContact CG2-CB 4.46Å; I384-V608 HydrophobicContact CG2-CG1 4.39Å; I384-V608 HydrophobicContact CG2-CG2 4.11Å; L409-V608 HydrophobicContact CD1-CG1 3.99Å; V596-V608 HydrophobicContact CB-CG1 4.26Å; V596-V608 HydrophobicContact CG1-CG1 3.6Å; V596-V608 HydrophobicContact CG2-CG1 3.6Å; I599-V608 HydrophobicContact CG1-CG1 4.32Å; I599-V608 HydrophobicContact CG1-CG2 4.37Å; V606-V608 HydrophobicContact CG1-CG2 4Å; V608-W616 PolarHBondContact N-O 3.27Å; V608-W616 PolarHBondContact O-N 3.4Å; V608-V621 HydrophobicContact CG2-CG2 4.03Å
609	T	98.6	Very high	96.7	Very high	30 Å²	30	58.1 Å²	58.1	18%	0.184	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	131.2	-176.4	-46.8	0	0	0	0	110.5	H597 S598 T614 V615	H597-T609 PolarHBondContact N-O 3.02Å; S598-T609 PolarHBondContact N-O 2.82Å; S598-T609 VanDerWaalsContact N-O 3.13Å; S598-T609 PolarHBondContact O-N 2.73Å; S598-T609 WeakPolarHBondContact OG-CB 3.44Å; S598-T609 PolarHBondContact OG-OG1 3.45Å; T609-T614 WeakPolarHBondContact CA-O 3.39Å; T609-V615 HydrophobicContact CG2-CG2 4.03Å
610	T	97.4	Very high	96.7	Very high	3 Å²	3	59.6 Å²	59.6	2%	0.018	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	166.9	174.1	65.5	0	0	0	0	112.7	F594 P595 E612 G613 T614	F594-T610 HydrophobicContact CB-CG2 4.05Å; F594-T610 HydrophobicContact CD1-CG2 3.85Å; F594-T610 HydrophobicContact CG-CG2 4.4Å; P595-T610 CarbonylContact O-C 3.52Å; P595-T610 WeakPolarHBondContact O-CA 3.38Å; P595-T610 WeakPolarHBondContact O-CB 3.39Å; T610-E612 PolarHBondContact O-N 2.88Å; T610-E612 VanDerWaalsContact O-N 3.14Å; T610-G613 PolarHBondContact O-N 3.47Å; T610-T614 PolarHBondContact N-O 2.77Å; T610-T614 WeakPolarHBondContact OG1-CB 3.35Å; T610-T614 PolarHBondContact OG1-N 2.82Å; T610-T614 PolarHBondContact OG1-O 3.16Å
611	A	93.6	Very high	96.7	Very high	67 Å²	67	57.6 Å²	57.6	55%	0.554	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-20	176	0	0	0	0	0	113.9	P595 H597 G613	P595-A611 HydrophobicContact CG-CB 4.01Å; P595-A611 PolarHBondContact O-N 3.37Å; H597-A611 HydrophobicContact CB-CB 4.42Å; A611-G613 VanDerWaalsContact C-N 3.34Å
612	E	93.4	Very high	96.7	Very high	157 Å²	157	56.8 Å²	56.8	73%	0.734	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-0.1	173.6	-58.4	-172	155.4	0	0	113.2	T610	T610-E612 PolarHBondContact O-N 2.88Å; T610-E612 VanDerWaalsContact O-N 3.14Å
613	G	94.2	Very high	96.8	Very high	50 Å²	50	53 Å²	53	52%	0.515	30%	0.301	S	S	.	.			trans	83.5	7.7	-178.7	0	0	0	0	0	115.2	T610 A611 V615	T610-G613 PolarHBondContact O-N 3.47Å; A611-G613 VanDerWaalsContact C-N 3.34Å; G613-V615 PolarHBondContact O-N 3.24Å
614	T	96.6	Very high	97	Very high	59 Å²	59	51.3 Å²	51.3	36%	0.362	28%	0.28	S	S	.	.			trans	-74	121.9	174.4	-60.5	0	0	0	0	109.9	F594 T609 T610	F594-T614 HydrophobicContact CE1-CG2 4.44Å; T609-T614 WeakPolarHBondContact CA-O 3.39Å; T610-T614 PolarHBondContact N-O 2.77Å; T610-T614 WeakPolarHBondContact OG1-CB 3.35Å; T610-T614 PolarHBondContact OG1-N 2.82Å; T610-T614 PolarHBondContact OG1-O 3.16Å
615	V	97.4	Very high	97.4	Very high	75 Å²	75	42.6 Å²	42.6	46%	0.455	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	133.7	178.3	-174.5	0	0	0	0	110.5	Q607 T609 G613	Q607-V615 HydrophobicContact CB-CG1 4.13Å; T609-V615 HydrophobicContact CG2-CG2 4.03Å; G613-V615 PolarHBondContact O-N 3.24Å
616	W	97.9	Very high	97.7	Very high	57 Å²	57	39.6 Å²	39.6	22%	0.216	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	144.7	171.8	-63.3	77	0	0	0	109.4	I384 V407 L409 R591 F594 Q607 V608	I384-W616 HydrophobicContact CD1-CB 3.72Å; V407-W616 HydrophobicContact CG1-CE3 4.32Å; V407-W616 HydrophobicContact CG2-CE3 4.47Å; V407-W616 HydrophobicContact CG2-CZ3 4.01Å; L409-W616 HydrophobicContact CD1-CG 4.11Å; L409-W616 HydrophobicContact CD2-CD2 4.14Å; L409-W616 HydrophobicContact CD2-CZ2 4.14Å; R591-W616 HydrophobicContact CG-CH2 3.85Å; R591-W616 HydrophobicContact CG-CZ2 4.06Å; F594-W616 HydrophobicContact CD1-CZ2 4.01Å; F594-W616 AromaticContact CD1-NE1 3.66Å; F594-W616 AromaticContact CE1-CZ2 3.72Å; F594-W616 HydrophobicContact CE1-CZ2 3.72Å; F594-W616 AromaticContact CE1-NE1 3.87Å; F594-W616 HydrophobicContact CZ-CZ2 4.47Å; Q607-W616 WeakPolarHBondContact CA-O 3.43Å; V608-W616 PolarHBondContact N-O 3.27Å; V608-W616 PolarHBondContact O-N 3.4Å
617	T	98.2	Very high	97.7	Very high	81 Å²	81	39.6 Å²	39.6	50%	0.497	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	148.1	173.8	79.4	0	0	0	0	113.1	E605 V606 Q607	E605-T617 WeakPolarHBondContact OE2-CB 3.11Å; E605-T617 PolarHBondContact OE2-OG1 3Å; V606-T617 VanDerWaalsContact O-CA 3.27Å; V606-T617 WeakPolarHBondContact O-CA 3.37Å; Q607-T617 HydrophobicContact CG-CG2 4.24Å
618	A	98.3	Very high	97.7	Very high	3 Å²	3	35.2 Å²	35.2	3%	0.025	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	159.3	170.7	0	0	0	0	0	111.1	S382 I384 V606 K620	S382-A618 WeakPolarHBondContact OG-CA 3.44Å; I384-A618 HydrophobicContact CB-CB 4.44Å; I384-A618 HydrophobicContact CD1-CB 3.75Å; I384-A618 HydrophobicContact CG1-CB 3.72Å; V606-A618 WeakPolarHBondContact CB-O 3.42Å; V606-A618 PolarHBondContact N-O 2.81Å; V606-A618 PolarHBondContact O-N 3.47Å; V606-A618 VanDerWaalsContact O-N 3.17Å; A618-K620 PolarHBondContact O-N 3.15Å
619	Q	98.4	Very high	97.7	Very high	68 Å²	68	35.7 Å²	35.7	32%	0.318	21%	0.211	S	C	.	.	S	Bend	trans	-63.7	-26.4	175.2	-65.8	170.4	0.5	0	0	113.2	N380 K381 S382	N380-Q619 PolarHBondContact O-NE2 3.3Å; K381-Q619 VanDerWaalsContact CA-OE1 3.31Å; S382-Q619 PolarHBondContact O-N 3.48Å; S382-Q619 WeakPolarHBondContact OG-CG 3.46Å; S382-Q619 PolarHBondContact OG-N 2.77Å
620	K	98.7	Very high	97.7	Very high	33 Å²	33	35 Å²	35	14%	0.143	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	148.6	-173.8	-52	-65.8	149.9	-164.3	0	110.8	S382 V383 I384 A618 G786 T787 F789	S382-K620 PolarHBondContact O-N 2.63Å; V383-K620 WeakPolarHBondContact CA-O 3.43Å; V383-K620 HydrophobicContact CG1-CB 4.41Å; V383-K620 HydrophobicContact CG2-CB 4.32Å; I384-K620 PolarHBondContact N-O 2.84Å; A618-K620 PolarHBondContact O-N 3.15Å; K620-G786 WeakPolarHBondContact CD-O 3.18Å; K620-G786 WeakPolarHBondContact CE-O 3.25Å; K620-G786 PolarHBondContact NZ-O 3.14Å; K620-T787 PolarHBondContact NZ-OG1 2.76Å; K620-T787 VanDerWaalsContact NZ-OG1 3.1Å; K620-F789 HydrophobicContact CB-CE2 4.38Å; K620-F789 HydrophobicContact CD-CE2 3.95Å
621	V	98.9	Very high	97.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	140.6	170.5	66.8	0	0	0	0	111.4	I384 V386 I599 V606 V608 T787 I788 F789	I384-V621 HydrophobicContact CB-CG2 4.23Å; I384-V621 HydrophobicContact CG2-CG2 4.22Å; I384-V621 CarbonylContact O-C 3.57Å; I384-V621 VanDerWaalsContact O-CA 3.27Å; I384-V621 WeakPolarHBondContact O-CA 3.4Å; I384-V621 WeakPolarHBondContact O-CG2 3.38Å; V386-V621 HydrophobicContact CG2-CG2 4.05Å; I599-V621 HydrophobicContact CD1-CG2 4.31Å; I599-V621 HydrophobicContact CG2-CG1 3.99Å; V606-V621 HydrophobicContact CG1-CB 4.07Å; V606-V621 HydrophobicContact CG1-CG1 3.77Å; V606-V621 HydrophobicContact CG2-CG1 4.27Å; V608-V621 HydrophobicContact CG2-CG2 4.03Å; V621-T787 PolarHBondContact N-O 2.76Å; V621-I788 HydrophobicContact CG1-CB 4.1Å; V621-I788 HydrophobicContact CG1-CD1 4.09Å; V621-I788 HydrophobicContact CG1-CG1 3.65Å; V621-I788 HydrophobicContact CG1-CG2 4.04Å; V621-I788 WeakPolarHBondContact O-CA 3.21Å; V621-F789 PolarHBondContact O-N 3.16Å
622	L	98.9	Very high	98	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	116.4	174.4	170	58.1	0	0	0	109.7	I384 I385 V386 A395 T624 F789 A791 E813 I817	I384-L622 PolarHBondContact O-N 3.28Å; I385-L622 CarbonylContact C-O 3.49Å; I385-L622 WeakPolarHBondContact CA-O 3.46Å; I385-L622 HydrophobicContact CD1-CD2 4.46Å; I385-L622 HydrophobicContact CG1-CB 4.24Å; I385-L622 HydrophobicContact CG1-CD2 4.38Å; I385-L622 HydrophobicContact CG2-CD2 4.33Å; I385-L622 HydrophobicContact CG2-CG 4.4Å; V386-L622 PolarHBondContact N-O 3.38Å; A395-L622 HydrophobicContact CB-CD2 3.28Å; L622-T624 HydrophobicContact CD1-CG2 4.17Å; L622-T624 HydrophobicContact CD2-CG2 4.2Å; L622-T624 HydrophobicContact CG-CG2 3.77Å; L622-F789 HydrophobicContact CB-CB 4.34Å; L622-F789 HydrophobicContact CD1-CB 3.73Å; L622-A791 HydrophobicContact CD1-CB 3.87Å; L622-E813 HydrophobicContact CD1-CB 3.78Å; L622-E813 HydrophobicContact CD1-CG 3.76Å; L622-E813 HydrophobicContact CD2-CB 4.16Å; L622-I817 HydrophobicContact CB-CD1 4.16Å; L622-I817 HydrophobicContact CD2-CD1 4.36Å
623	V	98.9	Very high	98	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	123	177.8	-179.4	0	0	0	0	109.6	I599 V625 L630 F637 I788 F789 F790 A791	I599-V623 HydrophobicContact CD1-CG2 3.66Å; V623-V625 HydrophobicContact CG1-CG1 4.39Å; V623-V625 HydrophobicContact CG1-CG2 3.81Å; V623-L630 HydrophobicContact CG1-CD2 4.42Å; V623-F637 HydrophobicContact CG2-CE1 4.19Å; V623-F637 HydrophobicContact CG2-CZ 4.23Å; V623-I788 HydrophobicContact CG2-CG2 4.19Å; V623-F789 PolarHBondContact N-O 2.65Å; V623-F790 HydrophobicContact CB-CD1 4.19Å; V623-F790 HydrophobicContact CB-CE1 4.26Å; V623-F790 WeakPolarHBondContact O-CA 3.5Å; V623-A791 PolarHBondContact O-N 3.43Å
624	T	98.9	Very high	98.1	Very high	13 Å²	13	37.4 Å²	37.4	8%	0.08	20%	0.197	C	C	.	.			trans	-123.3	13.6	179.3	80.4	0	0	0	0	114.3	I385 V386 G387 A391 L622 A791	I385-T624 HydrophobicContact CG2-CG2 4.2Å; V386-T624 WeakPolarHBondContact O-CA 3.3Å; V386-T624 WeakPolarHBondContact O-CB 3.4Å; V386-T624 PolarHBondContact O-N 2.87Å; V386-T624 PolarHBondContact O-OG1 2.78Å; G387-T624 PolarHBondContact O-OG1 2.9Å; A391-T624 HydrophobicContact CB-CG2 4.38Å; L622-T624 HydrophobicContact CD1-CG2 4.17Å; L622-T624 HydrophobicContact CD2-CG2 4.2Å; L622-T624 HydrophobicContact CG-CG2 3.77Å; T624-A791 WeakPolarHBondContact CA-O 3.46Å; T624-A791 HydrophobicContact CG2-CB 3.99Å
625	V	98.8	Very high	98.2	Very high	22 Å²	22	35.3 Å²	35.3	13%	0.133	18%	0.183	C	C	.	.			trans	-64.8	149.8	-178.4	-54.6	0	0	0	0	112.1	V386 V623 L629 L630 I635	V386-V625 HydrophobicContact CG1-CG1 3.81Å; V623-V625 HydrophobicContact CG1-CG1 4.39Å; V623-V625 HydrophobicContact CG1-CG2 3.81Å; V625-L629 HydrophobicContact CB-CB 4.46Å; V625-L629 HydrophobicContact CB-CD1 4.28Å; V625-L629 HydrophobicContact CG2-CB 4.24Å; V625-L630 HydrophobicContact CG2-CD2 3.62Å; V625-L630 HydrophobicContact CG2-CG 3.96Å; V625-I635 HydrophobicContact CG1-CD1 3.99Å; V625-I635 HydrophobicContact CG2-CD1 4.41Å
626	P	98.9	Very high	98.2	Very high	12 Å²	12	37.2 Å²	37.2	8%	0.078	19%	0.187	C	C	.	.			trans	-61.9	151.8	-179.4	-25.5	37.4	0	0	0	113.7	A628 L629 L630 L761 M763	P626-A628 PolarHBondContact O-N 3.28Å; P626-A628 VanDerWaalsContact O-N 3.11Å; P626-L629 PolarHBondContact O-N 3.3Å; P626-L630 PolarHBondContact O-N 2.84Å; P626-L761 HydrophobicContact CG-CD2 3.69Å; P626-M763 HydrophobicContact CB-CG 4.11Å; P626-M763 HydrophobicContact CB-SD 3.72Å
627	L	98.9	Very high	98.3	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-49.9	-39.8	-179.5	-179.4	66.7	0	0	0	113	L629 L630 Q631 I649 L652 M763 I780 A794	L627-L629 VanDerWaalsContact C-N 3.28Å; L627-L629 PolarHBondContact O-N 2.78Å; L627-L630 WeakPolarHBondContact O-CB 3.43Å; L627-L630 PolarHBondContact O-N 3.13Å; L627-Q631 HydrophobicContact CD1-CG 4.45Å; L627-Q631 HydrophobicContact CG-CG 4.33Å; L627-Q631 WeakPolarHBondContact O-CG 2.96Å; L627-Q631 PolarHBondContact O-N 3.06Å; L627-I649 HydrophobicContact CD1-CG2 4.24Å; L627-L652 HydrophobicContact CD1-CB 4.42Å; L627-L652 HydrophobicContact CD2-CB 3.55Å; L627-L652 HydrophobicContact CD2-CD1 4.48Å; L627-M763 HydrophobicContact CB-CE 4Å; L627-M763 HydrophobicContact CB-SD 3.77Å; L627-I780 HydrophobicContact CD1-CD1 4.22Å; L627-A794 HydrophobicContact CB-CB 3.82Å; L627-A794 HydrophobicContact CD1-CB 4.32Å; L627-A794 HydrophobicContact CD2-CB 4.34Å; L627-A794 HydrophobicContact CG-CB 4.39Å
628	A	98.8	Very high	98.3	Very high	6 Å²	6	35.7 Å²	35.7	5%	0.05	18%	0.179	C	C	.	.	H	α-helix	trans	-60.5	-31.9	178.4	0	0	0	0	0	113.8	P626 K632 A654 Q762 M763	P626-A628 PolarHBondContact O-N 3.28Å; P626-A628 VanDerWaalsContact O-N 3.11Å; A628-K632 WeakPolarHBondContact O-CB 3.28Å; A628-K632 WeakPolarHBondContact O-CG 3.38Å; A628-K632 PolarHBondContact O-N 3.14Å; A628-A654 HydrophobicContact CB-CB 3.98Å; A628-Q762 HydrophobicContact CB-CB 3.93Å; A628-M763 HydrophobicContact CB-CB 4.3Å; A628-M763 HydrophobicContact CB-CG 4.36Å; A628-M763 HydrophobicContact CB-SD 4.05Å
629	L	98.6	Very high	98.3	Very high	10 Å²	10	38 Å²	38	5%	0.052	19%	0.193	C	C	.	.	H	α-helix	trans	-76.6	-34.3	176.5	-61.1	-162	0	0	0	112.2	V625 P626 L627 K632 N633 T634 W760 Q762	V625-L629 HydrophobicContact CB-CB 4.46Å; V625-L629 HydrophobicContact CB-CD1 4.28Å; V625-L629 HydrophobicContact CG2-CB 4.24Å; P626-L629 PolarHBondContact O-N 3.3Å; L627-L629 VanDerWaalsContact C-N 3.28Å; L627-L629 PolarHBondContact O-N 2.78Å; L629-K632 PolarHBondContact O-N 2.84Å; L629-N633 PolarHBondContact O-N 3.21Å; L629-T634 PolarHBondContact O-N 2.76Å; L629-T634 PolarHBondContact O-OG1 3.34Å; L629-W760 HydrophobicContact CD1-CE3 4.23Å; L629-W760 WeakPolarHBondContact CD1-O 3.15Å; L629-Q762 HydrophobicContact CD2-CG 4.39Å
630	L	98.5	Very high	98.3	Very high	16 Å²	16	39.5 Å²	39.5	8%	0.084	21%	0.209	C	C	.	.	H	α-helix	trans	-66.1	-45.7	172.2	-60.8	179	0	0	0	110.7	V623 V625 P626 L627 K632 N633 I649	V623-L630 HydrophobicContact CG1-CD2 4.42Å; V625-L630 HydrophobicContact CG2-CD2 3.62Å; V625-L630 HydrophobicContact CG2-CG 3.96Å; P626-L630 PolarHBondContact O-N 2.84Å; L627-L630 WeakPolarHBondContact O-CB 3.43Å; L627-L630 PolarHBondContact O-N 3.13Å; L630-K632 PolarHBondContact O-N 2.76Å; L630-N633 PolarHBondContact O-N 3.06Å; L630-I649 HydrophobicContact CB-CD1 4.19Å; L630-I649 HydrophobicContact CB-CG1 4.48Å; L630-I649 HydrophobicContact CB-CG2 3.97Å; L630-I649 HydrophobicContact CD1-CD1 4.43Å
631	Q	98.6	Very high	98.2	Very high	47 Å²	47	39 Å²	39	22%	0.22	21%	0.208	C	C	.	.	H	α-helix	trans	-59.6	-31.3	175.2	-73.7	176.8	-10.6	0	0	112.9	L627 I649 L652	L627-Q631 HydrophobicContact CD1-CG 4.45Å; L627-Q631 HydrophobicContact CG-CG 4.33Å; L627-Q631 WeakPolarHBondContact O-CG 2.96Å; L627-Q631 PolarHBondContact O-N 3.06Å; Q631-I649 HydrophobicContact CB-CG2 4.37Å; Q631-I649 HydrophobicContact CG-CG2 3.57Å; Q631-I649 PolarHBondContact NE2-O 3.29Å; Q631-L652 PolarHBondContact NE2-O 3.11Å
632	K	97.8	Very high	98.2	Very high	133 Å²	133	41.9 Å²	41.9	58%	0.578	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	2.2	176.4	-71.8	-175.3	175.7	-171.4	0	114.6	A628 L629 L630 T634 Q762	A628-K632 WeakPolarHBondContact O-CB 3.28Å; A628-K632 WeakPolarHBondContact O-CG 3.38Å; A628-K632 PolarHBondContact O-N 3.14Å; L629-K632 PolarHBondContact O-N 2.84Å; L630-K632 PolarHBondContact O-N 2.76Å; K632-T634 PolarHBondContact O-N 3.19Å; K632-Q762 VanDerWaalsContact CD-OE1 3.28Å; K632-Q762 VanDerWaalsContact CE-OE1 3.26Å
633	N	94.8	Very high	98.2	Very high	106 Å²	106	48.3 Å²	48.3	57%	0.567	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	41.5	-175.9	-56.2	-60.8	0	0	0	112.8	L629 L630 I635	L629-N633 PolarHBondContact O-N 3.21Å; L630-N633 PolarHBondContact O-N 3.06Å; N633-I635 PolarHBondContact O-N 3.27Å
634	T	95.5	Very high	98.2	Very high	42 Å²	42	53 Å²	53	26%	0.258	28%	0.278	S	S	.	.			trans	-67.1	-24.8	-174.6	-47.4	0	0	0	0	112.3	L629 K632 W760	L629-T634 PolarHBondContact O-N 2.76Å; L629-T634 PolarHBondContact O-OG1 3.34Å; K632-T634 PolarHBondContact O-N 3.19Å; T634-W760 HydrophobicContact CG2-CZ3 3.97Å
635	I	98.3	Very high	98.2	Very high	14 Å²	14	52.6 Å²	52.6	7%	0.072	28%	0.275	C	S	.	.	S	Bend	trans	-107.5	128.2	169.9	-62.5	175.2	0	0	0	108	V386 V596 H597 I599 V625 N633 F637	V386-I635 HydrophobicContact CG1-CD1 4.16Å; V596-I635 HydrophobicContact CB-CD1 4.28Å; V596-I635 HydrophobicContact CG1-CD1 4.1Å; V596-I635 HydrophobicContact CG1-CG1 4.29Å; V596-I635 HydrophobicContact CG1-CG2 4.21Å; H597-I635 WeakPolarHBondContact O-CA 3.39Å; I599-I635 HydrophobicContact CB-CG2 4.45Å; I599-I635 HydrophobicContact CD1-CG2 3.9Å; I599-I635 HydrophobicContact CG1-CG2 3.81Å; V625-I635 HydrophobicContact CG1-CD1 3.99Å; V625-I635 HydrophobicContact CG2-CD1 4.41Å; N633-I635 PolarHBondContact O-N 3.27Å; I635-F637 HydrophobicContact CB-CE2 4.01Å; I635-F637 HydrophobicContact CB-CZ 4.45Å; I635-F637 HydrophobicContact CG2-CD2 4.26Å; I635-F637 HydrophobicContact CG2-CE2 3.84Å; I635-F637 HydrophobicContact CG2-CZ 4.02Å; I635-F637 WeakPolarHBondContact O-CD2 3.32Å
636	Q	98.4	Very high	98.2	Very high	116 Å²	116	54 Å²	54	54%	0.542	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	133.5	170.4	-58	-179	13.5	0	0	109.9	H597 S598 I599	H597-Q636 PolarHBondContact NE2-NE2 2.71Å; H597-Q636 PolarHBondContact O-N 2.96Å; S598-Q636 CarbonylContact C-O 3.06Å; S598-Q636 VanDerWaalsContact CA-O 3.24Å; S598-Q636 WeakPolarHBondContact CA-O 3.29Å; I599-Q636 PolarHBondContact N-O 3.12Å
637	F	98.8	Very high	98.2	Very high	28 Å²	28	59.8 Å²	59.8	12%	0.123	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	130.8	175.8	-70.5	-93.9	0	0	0	109.4	I599 Y601 V623 I635 P639 P640 L641 I788 F790	I599-F637 HydrophobicContact CB-CD1 4.19Å; I599-F637 HydrophobicContact CB-CE1 4.32Å; I599-F637 HydrophobicContact CD1-CE1 3.9Å; I599-F637 HydrophobicContact CD1-CZ 4.27Å; I599-F637 WeakPolarHBondContact O-CA 3.43Å; Y601-F637 HydrophobicContact CE1-CB 4.44Å; V623-F637 HydrophobicContact CG2-CE1 4.19Å; V623-F637 HydrophobicContact CG2-CZ 4.23Å; I635-F637 HydrophobicContact CB-CE2 4.01Å; I635-F637 HydrophobicContact CB-CZ 4.45Å; I635-F637 HydrophobicContact CG2-CD2 4.26Å; I635-F637 HydrophobicContact CG2-CE2 3.84Å; I635-F637 HydrophobicContact CG2-CZ 4.02Å; I635-F637 WeakPolarHBondContact O-CD2 3.32Å; F637-P639 CarbonylContact C-O 3.52Å; F637-P639 WeakPolarHBondContact CB-O 3.33Å; F637-P639 CarbonylContact O-C 3.44Å; F637-P639 VanDerWaalsContact O-C 3.3Å; F637-P640 WeakPolarHBondContact O-CA 3.49Å; F637-L641 HydrophobicContact CB-CD2 4.2Å; F637-L641 HydrophobicContact CB-CG 4.21Å; F637-L641 HydrophobicContact CD1-CD2 3.75Å; F637-L641 HydrophobicContact CD1-CG 4.4Å; F637-L641 HydrophobicContact CD2-CD1 3.93Å; F637-L641 HydrophobicContact CD2-CD2 4.04Å; F637-L641 HydrophobicContact CD2-CG 3.79Å; F637-L641 HydrophobicContact CE1-CD2 4.07Å; F637-L641 HydrophobicContact CE2-CD1 3.93Å; F637-L641 HydrophobicContact CE2-CD2 4.34Å; F637-L641 HydrophobicContact CE2-CG 4.25Å; F637-L641 HydrophobicContact CG-CD1 4.47Å; F637-L641 HydrophobicContact CG-CD2 3.73Å; F637-L641 HydrophobicContact CG-CG 3.88Å; F637-L641 HydrophobicContact CZ-CD1 4.46Å; F637-L641 HydrophobicContact CZ-CD2 4.36Å; F637-I788 HydrophobicContact CD1-CD1 3.94Å; F637-I788 HydrophobicContact CE1-CD1 4.16Å; F637-I788 HydrophobicContact CE1-CG2 4.44Å; F637-F790 HydrophobicContact CE1-CZ 4.48Å
638	N	98.1	Very high	98.1	Very high	78 Å²	78	60 Å²	60	42%	0.417	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	115.7	170.8	-175.1	39.5	0	0	0	111	I599 D600 Y601	I599-N638 PolarHBondContact O-N 3.29Å; D600-N638 CarbonylContact C-O 3.55Å; D600-N638 WeakPolarHBondContact CA-O 3.17Å; D600-N638 HydrophobicContact CB-CB 4.47Å; D600-N638 PolarHBondContact OD2-ND2 3.16Å; Y601-N638 WeakPolarHBondContact CD1-O 3.47Å; Y601-N638 PolarHBondContact N-O 3.01Å
639	P	98.3	Very high	98.2	Very high	50 Å²	50	59.7 Å²	59.7	33%	0.325	31%	0.305	S	S	.	.	S	Bend	cis	-58.8	164.2	-7.5	-26	36.2	0	0	0	114.4	Y601 F637	Y601-P639 WeakPolarHBondContact CE1-O 3.26Å; Y601-P639 HydrophobicContact CE2-CG 4.47Å; Y601-P639 PolarHBondContact OH-O 3Å; Y601-P639 VanDerWaalsContact OH-O 3.05Å; F637-P639 CarbonylContact C-O 3.52Å; F637-P639 WeakPolarHBondContact CB-O 3.33Å; F637-P639 CarbonylContact O-C 3.44Å; F637-P639 VanDerWaalsContact O-C 3.3Å
640	P	98.3	Very high	98.2	Very high	101 Å²	101	62.5 Å²	62.5	66%	0.656	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-64.5	153.9	177.3	-24	35.3	0	0	0	113.8	F637	F637-P640 WeakPolarHBondContact O-CA 3.49Å
641	L	98.3	Very high	98.2	Very high	21 Å²	21	63.2 Å²	63.2	11%	0.11	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-60.7	142.1	170.1	-57.2	-177.6	0	0	0	110.9	F637 K645 I646 I649 I784 F790	F637-L641 HydrophobicContact CB-CD2 4.2Å; F637-L641 HydrophobicContact CB-CG 4.21Å; F637-L641 HydrophobicContact CD1-CD2 3.75Å; F637-L641 HydrophobicContact CD1-CG 4.4Å; F637-L641 HydrophobicContact CD2-CD1 3.93Å; F637-L641 HydrophobicContact CD2-CD2 4.04Å; F637-L641 HydrophobicContact CD2-CG 3.79Å; F637-L641 HydrophobicContact CE1-CD2 4.07Å; F637-L641 HydrophobicContact CE2-CD1 3.93Å; F637-L641 HydrophobicContact CE2-CD2 4.34Å; F637-L641 HydrophobicContact CE2-CG 4.25Å; F637-L641 HydrophobicContact CG-CD1 4.47Å; F637-L641 HydrophobicContact CG-CD2 3.73Å; F637-L641 HydrophobicContact CG-CG 3.88Å; F637-L641 HydrophobicContact CZ-CD1 4.46Å; F637-L641 HydrophobicContact CZ-CD2 4.36Å; L641-K645 HydrophobicContact CD1-CD 4.46Å; L641-K645 HydrophobicContact CD2-CD 4.45Å; L641-I646 HydrophobicContact CB-CD1 4Å; L641-I646 HydrophobicContact CB-CG1 4.2Å; L641-I646 HydrophobicContact CD1-CD1 4.2Å; L641-I649 HydrophobicContact CD1-CD1 4.16Å; L641-I784 HydrophobicContact CD2-CD1 3.61Å; L641-F790 HydrophobicContact CD2-CZ 3.95Å
642	S	98.4	Very high	98.2	Very high	61 Å²	61	61 Å²	61	43%	0.427	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-63.2	149	-178	71.1	0	0	0	0	112.7	K644 K645 I646	S642-K644 PolarHBondContact O-N 2.92Å; S642-K644 VanDerWaalsContact O-N 3.11Å; S642-K645 PolarHBondContact O-N 3.48Å; S642-K645 PolarHBondContact OG-N 3.33Å; S642-I646 PolarHBondContact O-N 3.15Å
643	E	98.4	Very high	98.2	Very high	135 Å²	135	54.8 Å²	54.8	63%	0.631	29%	0.29	S	S	*	.	H	α-helix	trans	-51.9	-37	174.9	-76.6	-166.7	-157.7	0	0	112.8	I646 K647	E643-I646 PolarHBondContact O-N 3.38Å; E643-K647 VanDerWaalsContact O-CB 3.28Å; E643-K647 WeakPolarHBondContact O-CB 3.43Å; E643-K647 WeakPolarHBondContact O-CD 3.37Å; E643-K647 VanDerWaalsContact O-CG 3.23Å; E643-K647 WeakPolarHBondContact O-CG 3.44Å; E643-K647 PolarHBondContact O-N 2.66Å; E643-K647 IonicContact OE2-NZ 3.48Å; E643-K647 PolarHBondContact OE2-NZ 3.07Å
644	K	98.6	Very high	98.4	Very high	101 Å²	101	51.3 Å²	51.3	44%	0.439	28%	0.276	S	S	.	.	H	α-helix	trans	-58.1	-48.2	176.7	-174.9	-164.9	170.1	-162.1	0	110.8	S642 K647 A648 I779 E782	S642-K644 PolarHBondContact O-N 2.92Å; S642-K644 VanDerWaalsContact O-N 3.11Å; K644-K647 PolarHBondContact O-N 2.78Å; K644-A648 PolarHBondContact O-N 3.37Å; K644-I779 HydrophobicContact CD-CG2 4.21Å; K644-I779 HydrophobicContact CG-CG2 3.9Å; K644-E782 IonicContact NZ-OE1 3.41Å; K644-E782 PolarHBondContact NZ-OE1 3.14Å; K644-E782 IonicContact NZ-OE2 3.71Å; K644-E782 PolarHBondContact NZ-OE2 2.9Å
645	K	98.7	Very high	98.6	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.017	26%	0.264	C	S	.	.	H	α-helix	trans	-69	-41	177.8	-174.8	169.1	-69.9	-131.4	0	111.8	L641 S642 K647 A648 I649 I779 I780 E782 F790	L641-K645 HydrophobicContact CD1-CD 4.46Å; L641-K645 HydrophobicContact CD2-CD 4.45Å; S642-K645 PolarHBondContact O-N 3.48Å; S642-K645 PolarHBondContact OG-N 3.33Å; K645-K647 PolarHBondContact O-N 2.62Å; K645-A648 PolarHBondContact O-N 2.74Å; K645-I649 HydrophobicContact CG-CD1 3.84Å; K645-I649 HydrophobicContact CG-CG1 4.36Å; K645-I649 WeakPolarHBondContact O-CB 3.41Å; K645-I649 VanDerWaalsContact O-CG1 3.24Å; K645-I649 WeakPolarHBondContact O-CG1 3.38Å; K645-I649 PolarHBondContact O-N 2.88Å; K645-I779 VanDerWaalsContact CE-O 3.28Å; K645-I779 WeakPolarHBondContact CE-O 3.27Å; K645-I780 PolarHBondContact NZ-O 2.8Å; K645-E782 PolarHBondContact NZ-O 3.19Å; K645-F790 HydrophobicContact CD-CE1 4.37Å; K645-F790 HydrophobicContact CD-CE2 4.33Å; K645-F790 HydrophobicContact CD-CZ 4.09Å
646	I	98.6	Very high	98.6	Very high	53 Å²	53	50.2 Å²	50.2	27%	0.272	27%	0.27	S	S	.	.	H	α-helix	trans	-62.1	-40.3	175	-64.8	-62.8	0	0	0	111.9	L641 S642 E643 I649 N650	L641-I646 HydrophobicContact CB-CD1 4Å; L641-I646 HydrophobicContact CB-CG1 4.2Å; L641-I646 HydrophobicContact CD1-CD1 4.2Å; S642-I646 PolarHBondContact O-N 3.15Å; E643-I646 PolarHBondContact O-N 3.38Å; I646-I649 HydrophobicContact CD1-CD1 4.4Å; I646-N650 PolarHBondContact O-N 2.6Å; I646-N650 VanDerWaalsContact O-N 3.12Å; I646-N650 PolarHBondContact O-ND2 2.91Å
647	K	98.6	Very high	98.6	Very high	132 Å²	132	45.4 Å²	45.4	57%	0.574	25%	0.248	S	C	*	.	H	α-helix	trans	-64.6	-42.2	174.8	-75.4	161.9	177	163.6	0	111.4	E643 K644 K645 N650 S651	E643-K647 VanDerWaalsContact O-CB 3.28Å; E643-K647 WeakPolarHBondContact O-CB 3.43Å; E643-K647 WeakPolarHBondContact O-CD 3.37Å; E643-K647 VanDerWaalsContact O-CG 3.23Å; E643-K647 WeakPolarHBondContact O-CG 3.44Å; E643-K647 PolarHBondContact O-N 2.66Å; E643-K647 IonicContact OE2-NZ 3.48Å; E643-K647 PolarHBondContact OE2-NZ 3.07Å; K644-K647 PolarHBondContact O-N 2.78Å; K645-K647 PolarHBondContact O-N 2.62Å; K647-N650 PolarHBondContact O-N 2.91Å; K647-S651 WeakPolarHBondContact O-CB 3.47Å; K647-S651 PolarHBondContact O-N 2.96Å; K647-S651 PolarHBondContact O-OG 2.95Å
648	A	98.8	Very high	98.6	Very high	6 Å²	6	44.1 Å²	44.1	5%	0.05	24%	0.242	C	C	.	.	H	α-helix	trans	-62.1	-50.2	174	0	0	0	0	0	112.5	K644 K645 N650 S651 L652 A776 I779 I780	K644-A648 PolarHBondContact O-N 3.37Å; K645-A648 PolarHBondContact O-N 2.74Å; A648-N650 PolarHBondContact O-N 3.1Å; A648-S651 PolarHBondContact O-N 3.17Å; A648-S651 PolarHBondContact O-OG 2.78Å; A648-L652 PolarHBondContact O-N 3.32Å; A648-A776 HydrophobicContact CB-CB 4.03Å; A648-I779 HydrophobicContact CB-CB 3.78Å; A648-I779 HydrophobicContact CB-CG2 3.54Å; A648-I780 HydrophobicContact CB-CG1 4.09Å
649	I	98.8	Very high	98.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-51.8	-40.2	176.2	-73.4	165.2	0	0	0	111.6	L627 L630 Q631 L641 K645 I646 I780	L627-I649 HydrophobicContact CD1-CG2 4.24Å; L630-I649 HydrophobicContact CB-CD1 4.19Å; L630-I649 HydrophobicContact CB-CG1 4.48Å; L630-I649 HydrophobicContact CB-CG2 3.97Å; L630-I649 HydrophobicContact CD1-CD1 4.43Å; Q631-I649 HydrophobicContact CB-CG2 4.37Å; Q631-I649 HydrophobicContact CG-CG2 3.57Å; Q631-I649 PolarHBondContact NE2-O 3.29Å; L641-I649 HydrophobicContact CD1-CD1 4.16Å; K645-I649 HydrophobicContact CG-CD1 3.84Å; K645-I649 HydrophobicContact CG-CG1 4.36Å; K645-I649 WeakPolarHBondContact O-CB 3.41Å; K645-I649 VanDerWaalsContact O-CG1 3.24Å; K645-I649 WeakPolarHBondContact O-CG1 3.38Å; K645-I649 PolarHBondContact O-N 2.88Å; I646-I649 HydrophobicContact CD1-CD1 4.4Å; I649-I780 HydrophobicContact CG1-CD1 4.27Å; I649-I780 HydrophobicContact CG1-CG1 3.94Å
650	N	98.8	Very high	98.6	Very high	68 Å²	68	39 Å²	39	36%	0.364	21%	0.211	S	C	.	.	H	α-helix	trans	-89.2	-10.8	-177.7	-72.8	-74.2	0	0	0	114.7	I646 K647 A648 K769	I646-N650 PolarHBondContact O-N 2.6Å; I646-N650 VanDerWaalsContact O-N 3.12Å; I646-N650 PolarHBondContact O-ND2 2.91Å; K647-N650 PolarHBondContact O-N 2.91Å; A648-N650 PolarHBondContact O-N 3.1Å; N650-K769 PolarHBondContact O-NZ 3.17Å
651	S	98.7	Very high	98.6	Very high	31 Å²	31	34.1 Å²	34.1	22%	0.217	18%	0.18	C	C	.	.	H	α-helix	trans	-85.9	-19.5	173.8	71.6	0	0	0	0	113.4	K647 A648 K769 A776	K647-S651 WeakPolarHBondContact O-CB 3.47Å; K647-S651 PolarHBondContact O-N 2.96Å; K647-S651 PolarHBondContact O-OG 2.95Å; A648-S651 PolarHBondContact O-N 3.17Å; A648-S651 PolarHBondContact O-OG 2.78Å; S651-K769 WeakPolarHBondContact O-CB 3.38Å; S651-K769 PolarHBondContact O-N 2.66Å; S651-A776 WeakPolarHBondContact OG-CB 3.48Å
652	L	98.9	Very high	98.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	151.8	164.2	-61.9	-171.6	0	0	0	111	L627 Q631 A648 F767 V768 K769 A776 Y777 I780	L627-L652 HydrophobicContact CD1-CB 4.42Å; L627-L652 HydrophobicContact CD2-CB 3.55Å; L627-L652 HydrophobicContact CD2-CD1 4.48Å; Q631-L652 PolarHBondContact NE2-O 3.11Å; A648-L652 PolarHBondContact O-N 3.32Å; L652-F767 CarbonylContact C-O 3.54Å; L652-F767 WeakPolarHBondContact CA-O 3.45Å; L652-V768 HydrophobicContact CD2-CB 4.46Å; L652-V768 HydrophobicContact CD2-CG2 3.84Å; L652-K769 VanDerWaalsContact O-CD 3.26Å; L652-K769 WeakPolarHBondContact O-CD 3.17Å; L652-A776 HydrophobicContact CD1-CB 4.39Å; L652-A776 HydrophobicContact CD2-CB 3.88Å; L652-A776 HydrophobicContact CG-CB 3.87Å; L652-Y777 HydrophobicContact CD1-CD1 4.04Å; L652-Y777 HydrophobicContact CD1-CD2 3.9Å; L652-Y777 HydrophobicContact CD1-CE1 3.95Å; L652-Y777 HydrophobicContact CD1-CE2 3.8Å; L652-Y777 HydrophobicContact CD1-CG 4.02Å; L652-Y777 HydrophobicContact CD2-CD2 3.91Å; L652-Y777 HydrophobicContact CD2-CE2 3.45Å; L652-Y777 VanDerWaalsContact CD2-CE2 3.45Å; L652-Y777 HydrophobicContact CG-CE2 4.3Å; L652-I780 HydrophobicContact CD1-CD1 3.64Å; L652-I780 HydrophobicContact CG-CD1 4.34Å
653	G	98.8	Very high	98.7	Very high	3 Å²	3	31.5 Å²	31.5	3%	0.031	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	139	175.6	0	0	0	0	0	111.8	G655 S766 F767	G653-G655 VanDerWaalsContact C-N 3.35Å; G653-G655 PolarHBondContact O-N 2.94Å; G653-G655 VanDerWaalsContact O-N 3.15Å; G653-S766 VanDerWaalsContact O-CA 3.27Å; G653-S766 WeakPolarHBondContact O-CA 3.17Å; G653-F767 PolarHBondContact N-O 3.22Å; G653-F767 PolarHBondContact O-N 3.07Å; G653-F767 VanDerWaalsContact O-N 3.1Å
654	A	98.7	Very high	98.7	Very high	33 Å²	33	25.1 Å²	25.1	27%	0.273	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	82.3	169	0	0	0	0	0	109.3	A628 M763	A628-A654 HydrophobicContact CB-CB 3.98Å; A654-M763 HydrophobicContact CB-CB 4.05Å; A654-M763 HydrophobicContact CB-CE 4.41Å; A654-M763 HydrophobicContact CB-SD 4.28Å
655	G	98.4	Very high	98.7	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	146.8	178.1	0	0	0	0	0	112	G546 G653 A764 Y765	G546-G655 CarbonylContact O-C 3.57Å; G546-G655 WeakPolarHBondContact O-CA 3.45Å; G653-G655 VanDerWaalsContact C-N 3.35Å; G653-G655 PolarHBondContact O-N 2.94Å; G653-G655 VanDerWaalsContact O-N 3.15Å; G655-A764 PolarHBondContact O-N 3.08Å; G655-Y765 CarbonylContact C-O 3.59Å; G655-Y765 WeakPolarHBondContact CA-O 3.27Å; G655-Y765 PolarHBondContact N-O 3.31Å; G655-Y765 PolarHBondContact O-N 2.64Å; G655-Y765 VanDerWaalsContact O-N 3.16Å; G655-Y765 VanDerWaalsContact O-O 3.13Å
656	V	98.3	Very high	98.6	Very high	33 Å²	33	29.4 Å²	29.4	20%	0.2	16%	0.155	C	C	.	.			trans	-141.4	136.3	-175.4	62.6	0	0	0	0	111.3	G546 V716	G546-V656 PolarHBondContact O-N 2.97Å; V656-V716 HydrophobicContact CG1-CG1 4.06Å; V656-V716 HydrophobicContact CG2-CG1 4.32Å
657	I	98.5	Very high	98.6	Very high	14 Å²	14	28.4 Å²	28.4	7%	0.072	15%	0.148	C	C	.	.			trans	-130.2	159.1	164.5	58.7	161.6	0	0	0	107.6	Y543 V710 V711 A764 Y765	Y543-I657 HydrophobicContact CD2-CD1 4.18Å; Y543-I657 HydrophobicContact CD2-CG2 4.29Å; Y543-I657 HydrophobicContact CE2-CD1 3.81Å; I657-V710 HydrophobicContact CB-CG1 3.88Å; I657-V710 HydrophobicContact CD1-CG1 3.79Å; I657-V710 HydrophobicContact CG1-CG1 4.41Å; I657-V710 HydrophobicContact CG2-CG1 4.24Å; I657-V711 WeakPolarHBondContact CA-O 3.44Å; I657-V711 WeakPolarHBondContact CB-O 3.5Å; I657-A764 HydrophobicContact CG1-CB 3.75Å; I657-Y765 HydrophobicContact CD1-CE1 3.89Å; I657-Y765 WeakPolarHBondContact CD1-OH 3.17Å; I657-Y765 HydrophobicContact CG1-CE1 3.97Å
658	E	98.7	Very high	98.6	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	152.8	167.4	-58.1	-70.7	-169.5	0	0	109.4	V710 V711 V716 I719 T753 R754 W755 S756	E658-V710 CarbonylContact O-C 3.56Å; E658-V710 WeakPolarHBondContact O-CA 3.49Å; E658-V711 PolarHBondContact N-O 3.09Å; E658-V711 PolarHBondContact O-N 2.76Å; E658-V716 HydrophobicContact CG-CG1 4.24Å; E658-I719 HydrophobicContact CB-CD1 4.01Å; E658-I719 HydrophobicContact CG-CD1 4.15Å; E658-T753 VanDerWaalsContact CA-OG1 3.3Å; E658-T753 WeakPolarHBondContact CA-OG1 2.98Å; E658-T753 VanDerWaalsContact CD-O 3.31Å; E658-T753 WeakPolarHBondContact OE2-CB 3.26Å; E658-T753 VanDerWaalsContact OE2-O 3.07Å; E658-T753 PolarHBondContact OE2-OG1 3.48Å; E658-R754 VanDerWaalsContact OE1-CA 3.29Å; E658-R754 WeakPolarHBondContact OE1-CA 3.46Å; E658-R754 WeakPolarHBondContact OE2-CA 3.42Å; E658-R754 PolarHBondContact OE2-N 3.17Å; E658-W755 VanDerWaalsContact CD-N 3.29Å; E658-W755 PolarHBondContact OE1-N 3.32Å; E658-W755 PolarHBondContact OE2-N 3.27Å; E658-S756 VanDerWaalsContact OE1-CB 3.23Å; E658-S756 WeakPolarHBondContact OE1-CB 3.2Å; E658-S756 PolarHBondContact OE1-N 2.84Å; E658-S756 PolarHBondContact OE1-OG 3.4Å
659	K	98.8	Very high	98.6	Very high	19 Å²	19	22.3 Å²	22.3	8%	0.083	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	146.3	176.4	-77.3	-179.5	164.9	-176.1	0	111.1	G431 G433 M708 S709 V710 F751 V752 T753	G431-K659 WeakPolarHBondContact O-CD 3.43Å; G431-K659 PolarHBondContact O-NZ 2.67Å; G433-K659 PolarHBondContact O-NZ 2.84Å; K659-M708 HydrophobicContact CB-SD 4.45Å; K659-M708 HydrophobicContact CD-CG 4.27Å; K659-M708 HydrophobicContact CD-SD 3.73Å; K659-M708 VanDerWaalsContact CE-SD 3.54Å; K659-M708 HydrophobicContact CG-SD 3.85Å; K659-S709 WeakPolarHBondContact CA-O 3.36Å; K659-V710 HydrophobicContact CG-CG2 4.36Å; K659-F751 HydrophobicContact CB-CE2 4.38Å; K659-V752 CarbonylContact O-C 3.58Å; K659-V752 WeakPolarHBondContact O-CA 3.5Å; K659-T753 HydrophobicContact CB-CG2 3.98Å; K659-T753 PolarHBondContact N-OG1 3.39Å; K659-T753 PolarHBondContact O-N 3.02Å
660	I	98.8	Very high	98.5	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	142	159.1	-169.5	172.8	0	0	0	108.7	L662 F692 M708 S709 L728 C731 F751 V752	I660-L662 HydrophobicContact CB-CD1 4.41Å; I660-L662 HydrophobicContact CD1-CD1 4.03Å; I660-L662 HydrophobicContact CD1-CD2 4.34Å; I660-L662 HydrophobicContact CD1-CG 4.21Å; I660-L662 HydrophobicContact CG1-CD1 3.79Å; I660-L662 HydrophobicContact CG1-CG 4.18Å; I660-L662 HydrophobicContact CG2-CD1 3.96Å; I660-F692 HydrophobicContact CB-CE1 4.39Å; I660-F692 HydrophobicContact CG2-CD1 3.77Å; I660-F692 HydrophobicContact CG2-CE1 3.62Å; I660-M708 CarbonylContact O-C 3.5Å; I660-M708 WeakPolarHBondContact O-CA 3.46Å; I660-S709 PolarHBondContact N-O 3.12Å; I660-S709 PolarHBondContact O-N 2.77Å; I660-L728 HydrophobicContact CD1-CD1 4.03Å; I660-C731 HydrophobicContact CD1-CB 3.71Å; I660-F751 WeakPolarHBondContact CA-O 3.26Å; I660-F751 WeakPolarHBondContact CG1-O 3.29Å; I660-V752 HydrophobicContact CD1-CG2 4.12Å; I660-V752 HydrophobicContact CG1-CG2 4.01Å
661	A	98.9	Very high	98.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	138.5	169	0	0	0	0	0	109.7	F425 V430 L707 F750 F751	F425-A661 HydrophobicContact CZ-CB 4.15Å; V430-A661 HydrophobicContact CG1-CB 3.74Å; A661-L707 CarbonylContact C-O 3.56Å; A661-L707 WeakPolarHBondContact CA-O 3.34Å; A661-F750 CarbonylContact O-C 3.6Å; A661-F750 WeakPolarHBondContact O-CA 3.35Å; A661-F750 VanDerWaalsContact O-CB 3.23Å; A661-F750 WeakPolarHBondContact O-CB 3.28Å; A661-F751 HydrophobicContact CB-CD1 4.04Å; A661-F751 HydrophobicContact CB-CD2 4.32Å; A661-F751 HydrophobicContact CB-CE1 3.61Å; A661-F751 HydrophobicContact CB-CE2 3.91Å; A661-F751 HydrophobicContact CB-CG 4.36Å; A661-F751 HydrophobicContact CB-CZ 3.53Å; A661-F751 PolarHBondContact N-O 3.41Å; A661-F751 PolarHBondContact O-N 3.15Å
662	L	98.9	Very high	98.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	125.3	-171.8	-53.6	90.3	0	0	0	109.6	I660 F664 I706 L707 L728 M732 L735 P747	I660-L662 HydrophobicContact CB-CD1 4.41Å; I660-L662 HydrophobicContact CD1-CD1 4.03Å; I660-L662 HydrophobicContact CD1-CD2 4.34Å; I660-L662 HydrophobicContact CD1-CG 4.21Å; I660-L662 HydrophobicContact CG1-CD1 3.79Å; I660-L662 HydrophobicContact CG1-CG 4.18Å; I660-L662 HydrophobicContact CG2-CD1 3.96Å; L662-F664 HydrophobicContact CB-CE2 3.6Å; L662-F664 HydrophobicContact CB-CZ 3.65Å; L662-F664 HydrophobicContact CD2-CZ 3.95Å; L662-F664 HydrophobicContact CG-CZ 4.4Å; L662-I706 CarbonylContact O-C 3.59Å; L662-I706 VanDerWaalsContact O-CA 3.29Å; L662-I706 WeakPolarHBondContact O-CA 3.45Å; L662-L707 PolarHBondContact N-O 2.71Å; L662-L707 PolarHBondContact O-N 2.71Å; L662-L728 HydrophobicContact CD2-CD1 3.58Å; L662-L728 HydrophobicContact CG-CD1 4.16Å; L662-M732 HydrophobicContact CD2-CG 4.35Å; L662-M732 HydrophobicContact CD2-SD 3.76Å; L662-L735 HydrophobicContact CD2-CD1 4.39Å; L662-P747 HydrophobicContact CB-CB 4.27Å; L662-P747 HydrophobicContact CD2-CB 4.45Å; L662-P747 HydrophobicContact CD2-CG 4.43Å
663	Q	98.8	Very high	98.2	Very high	26 Å²	26	25.5 Å²	25.5	12%	0.121	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	134.3	170.4	-172.5	178.1	-21	0	0	109.8	F425 S705 I706 P747 V748 K749	F425-Q663 HydrophobicContact CD1-CB 3.9Å; F425-Q663 HydrophobicContact CE1-CB 3.96Å; Q663-S705 CarbonylContact C-O 3.57Å; Q663-S705 WeakPolarHBondContact CA-O 3.13Å; Q663-I706 HydrophobicContact CB-CG1 3.99Å; Q663-I706 HydrophobicContact CG-CG1 3.78Å; Q663-P747 CarbonylContact O-C 3.35Å; Q663-P747 WeakPolarHBondContact O-CA 3.25Å; Q663-P747 WeakPolarHBondContact O-CB 3.48Å; Q663-V748 HydrophobicContact CB-CG2 4.08Å; Q663-V748 HydrophobicContact CG-CG2 3.84Å; Q663-V748 WeakPolarHBondContact O-CG2 3.4Å; Q663-V748 PolarHBondContact O-N 3.43Å; Q663-K749 HydrophobicContact CB-CB 4.08Å; Q663-K749 PolarHBondContact N-O 2.95Å
664	F	98.8	Very high	98	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.009	17%	0.167	C	C	.	.			trans	-114	167.4	179.8	-59.8	-84.4	0	0	0	111.5	L662 F668 W669 S705 L707 M732 L735 P745 P747	L662-F664 HydrophobicContact CB-CE2 3.6Å; L662-F664 HydrophobicContact CB-CZ 3.65Å; L662-F664 HydrophobicContact CD2-CZ 3.95Å; L662-F664 HydrophobicContact CG-CZ 4.4Å; F664-F668 HydrophobicContact CD1-CD1 4.3Å; F664-F668 AromaticContact CD1-CE1 3.89Å; F664-F668 HydrophobicContact CD1-CE1 3.89Å; F664-F668 HydrophobicContact CD2-CD1 4.47Å; F664-F668 AromaticContact CD2-CE1 3.84Å; F664-F668 HydrophobicContact CD2-CE1 3.84Å; F664-F668 AromaticContact CE1-CE1 3.87Å; F664-F668 HydrophobicContact CE1-CE1 3.87Å; F664-F668 AromaticContact CE2-CE1 3.83Å; F664-F668 HydrophobicContact CE2-CE1 3.83Å; F664-F668 HydrophobicContact CG-CD1 4.17Å; F664-F668 AromaticContact CG-CE1 3.86Å; F664-F668 HydrophobicContact CG-CE1 3.86Å; F664-F668 AromaticContact CZ-CE1 3.84Å; F664-F668 HydrophobicContact CZ-CE1 3.84Å; F664-F668 HydrophobicContact CZ-CZ 4.41Å; F664-W669 HydrophobicContact CD2-CH2 4.31Å; F664-W669 AromaticContact CD2-CZ3 3.81Å; F664-W669 HydrophobicContact CD2-CZ3 3.81Å; F664-W669 HydrophobicContact CE2-CZ3 4.34Å; F664-S705 PolarHBondContact N-O 3.2Å; F664-S705 PolarHBondContact O-OG 2.83Å; F664-L707 HydrophobicContact CE2-CB 4.32Å; F664-L707 HydrophobicContact CE2-CD1 4.12Å; F664-L707 HydrophobicContact CE2-CG 4.26Å; F664-M732 HydrophobicContact CE1-CE 4.04Å; F664-M732 HydrophobicContact CE1-SD 3.77Å; F664-M732 HydrophobicContact CZ-SD 4.06Å; F664-L735 HydrophobicContact CZ-CD1 3.82Å; F664-P745 HydrophobicContact CB-CG 4.35Å; F664-P745 HydrophobicContact CD1-CG 4.23Å; F664-P745 WeakPolarHBondContact CD1-O 3.46Å; F664-P747 HydrophobicContact CD1-CB 4.17Å; F664-P747 HydrophobicContact CE1-CB 3.91Å; F664-P747 HydrophobicContact CZ-CB 4.41Å
665	P	98.3	Very high	97.8	Very high	80 Å²	80	32.7 Å²	32.7	52%	0.519	18%	0.183	S	C	.	.	S	Bend	trans	-68.5	-31.2	174.5	-18	31.4	0	0	0	113.8	P745 V748	P665-P745 HydrophobicContact CG-CB 4.18Å; P665-V748 HydrophobicContact CG-CG1 3.88Å
666	Y	98	Very high	97.8	Very high	114 Å²	114	33.3 Å²	33.3	45%	0.447	19%	0.188	S	C	.	.	S	Bend	trans	-150.6	163.9	178.7	60.2	-92.2	0	0	0	111.3	F668 S705 P745	Y666-F668 VanDerWaalsContact C-N 3.35Å; Y666-F668 HydrophobicContact CD2-CB 4.04Å; Y666-F668 HydrophobicContact CE2-CB 3.61Å; Y666-F668 PolarHBondContact O-N 2.71Å; Y666-S705 PolarHBondContact N-OG 3.21Å; Y666-S705 VanDerWaalsContact O-CB 3.31Å; Y666-S705 WeakPolarHBondContact O-CB 3.27Å; Y666-P745 HydrophobicContact CD1-CG 4.42Å; Y666-P745 HydrophobicContact CE1-CB 3.97Å; Y666-P745 HydrophobicContact CE1-CG 3.85Å; Y666-P745 HydrophobicContact CE2-CG 4.23Å
667	R	98.3	Very high	97.8	Very high	33 Å²	33	33 Å²	33	13%	0.125	19%	0.185	C	C	.	.			trans	-79.4	77.4	-178.6	-65.5	176.6	57.8	83	4.2	110.7	W669 D670 D697 G702 Q704	R667-W669 HydrophobicContact CG-CZ2 4.34Å; R667-W669 PolarHBondContact O-N 3.37Å; R667-W669 VanDerWaalsContact O-N 3.13Å; R667-D670 WeakPolarHBondContact CB-OD2 3.47Å; R667-D670 WeakPolarHBondContact CD-OD2 3.42Å; R667-D670 IonicContact CZ-OD1 3.19Å; R667-D670 IonicContact CZ-OD2 2.64Å; R667-D670 IonicContact NE-OD1 2.91Å; R667-D670 PolarHBondContact NE-OD1 3.04Å; R667-D670 VanDerWaalsContact NE-OD1 3.12Å; R667-D670 IonicContact NE-OD2 3.32Å; R667-D670 PolarHBondContact NE-OD2 2.62Å; R667-D670 IonicContact NH2-OD1 3.16Å; R667-D670 PolarHBondContact NH2-OD1 2.6Å; R667-D670 IonicContact NH2-OD2 3.93Å; R667-D697 IonicContact CZ-OD1 2.64Å; R667-D697 IonicContact CZ-OD2 2.67Å; R667-D697 IonicContact NH1-OD1 3.85Å; R667-D697 PolarHBondContact NH1-OD1 2.99Å; R667-D697 IonicContact NH1-OD2 4Å; R667-D697 PolarHBondContact NH1-OD2 3.22Å; R667-D697 IonicContact NH2-OD2 2.62Å; R667-D697 PolarHBondContact NH2-OD2 2.92Å; R667-G702 WeakPolarHBondContact CD-O 3.37Å; R667-Q704 WeakPolarHBondContact CD-O 3.45Å; R667-Q704 WeakPolarHBondContact CG-O 3.43Å; R667-Q704 PolarHBondContact NH1-O 3.46Å
668	F	98.5	Very high	97.8	Very high	8 Å²	8	34 Å²	34	4%	0.035	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.6	-174.8	68.4	-96.8	0	0	0	113.9	F664 Y666 L707 L735 F739 Q742 V744 P745	F664-F668 HydrophobicContact CD1-CD1 4.3Å; F664-F668 AromaticContact CD1-CE1 3.89Å; F664-F668 HydrophobicContact CD1-CE1 3.89Å; F664-F668 HydrophobicContact CD2-CD1 4.47Å; F664-F668 AromaticContact CD2-CE1 3.84Å; F664-F668 HydrophobicContact CD2-CE1 3.84Å; F664-F668 AromaticContact CE1-CE1 3.87Å; F664-F668 HydrophobicContact CE1-CE1 3.87Å; F664-F668 AromaticContact CE2-CE1 3.83Å; F664-F668 HydrophobicContact CE2-CE1 3.83Å; F664-F668 HydrophobicContact CG-CD1 4.17Å; F664-F668 AromaticContact CG-CE1 3.86Å; F664-F668 HydrophobicContact CG-CE1 3.86Å; F664-F668 AromaticContact CZ-CE1 3.84Å; F664-F668 HydrophobicContact CZ-CE1 3.84Å; F664-F668 HydrophobicContact CZ-CZ 4.41Å; Y666-F668 VanDerWaalsContact C-N 3.35Å; Y666-F668 HydrophobicContact CD2-CB 4.04Å; Y666-F668 HydrophobicContact CE2-CB 3.61Å; Y666-F668 PolarHBondContact O-N 2.71Å; F668-L707 HydrophobicContact CE1-CD1 4.44Å; F668-L707 HydrophobicContact CZ-CD1 4.02Å; F668-L735 HydrophobicContact CZ-CD1 4.4Å; F668-L735 HydrophobicContact CZ-CD2 4.28Å; F668-F739 HydrophobicContact CD2-CD1 4.27Å; F668-F739 HydrophobicContact CD2-CG 4.3Å; F668-F739 HydrophobicContact CE2-CD1 4.29Å; F668-F739 AromaticContact CE2-CD2 3.83Å; F668-F739 HydrophobicContact CE2-CD2 3.83Å; F668-F739 HydrophobicContact CE2-CE1 4.41Å; F668-F739 AromaticContact CE2-CE2 3.97Å; F668-F739 HydrophobicContact CE2-CE2 3.97Å; F668-F739 HydrophobicContact CE2-CG 4.01Å; F668-F739 HydrophobicContact CE2-CZ 4.27Å; F668-Q742 PolarHBondContact O-NE2 2.91Å; F668-V744 HydrophobicContact CD1-CG1 4.23Å; F668-V744 HydrophobicContact CD2-CG1 4.26Å; F668-V744 HydrophobicContact CD2-CG2 4.1Å; F668-V744 HydrophobicContact CE1-CG1 3.84Å; F668-V744 HydrophobicContact CE2-CG1 3.9Å; F668-V744 HydrophobicContact CE2-CG2 4.01Å; F668-V744 HydrophobicContact CG-CG1 4.43Å; F668-V744 HydrophobicContact CZ-CG1 3.68Å; F668-P745 HydrophobicContact CB-CG 4.48Å; F668-P745 HydrophobicContact CD1-CG 4.06Å
669	W	98.4	Very high	97.8	Very high	1 Å²	1	34 Å²	34	0%	0.004	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-14.1	-172.7	58.1	93.3	0	0	0	115.3	F664 R667 S671 K672 I673 D697 L707 F739	F664-W669 HydrophobicContact CD2-CH2 4.31Å; F664-W669 AromaticContact CD2-CZ3 3.81Å; F664-W669 HydrophobicContact CD2-CZ3 3.81Å; F664-W669 HydrophobicContact CE2-CZ3 4.34Å; R667-W669 HydrophobicContact CG-CZ2 4.34Å; R667-W669 PolarHBondContact O-N 3.37Å; R667-W669 VanDerWaalsContact O-N 3.13Å; W669-S671 PolarHBondContact O-N 3.17Å; W669-S671 VanDerWaalsContact O-N 3.11Å; W669-K672 PolarHBondContact O-N 3.16Å; W669-I673 HydrophobicContact CB-CG1 3.8Å; W669-I673 HydrophobicContact CG-CG1 4.35Å; W669-I673 WeakPolarHBondContact O-CB 3.26Å; W669-I673 WeakPolarHBondContact O-CG1 3.28Å; W669-I673 PolarHBondContact O-N 2.74Å; W669-D697 PolarHBondContact NE1-OD2 2.97Å; W669-L707 HydrophobicContact CD2-CD1 4.39Å; W669-L707 HydrophobicContact CD2-CD2 4.05Å; W669-L707 HydrophobicContact CD2-CG 4.36Å; W669-L707 HydrophobicContact CE3-CD1 3.98Å; W669-L707 HydrophobicContact CE3-CD2 4.32Å; W669-L707 HydrophobicContact CE3-CG 4.12Å; W669-L707 HydrophobicContact CH2-CD1 4.39Å; W669-L707 HydrophobicContact CH2-CD2 3.91Å; W669-L707 HydrophobicContact CH2-CG 3.67Å; W669-L707 HydrophobicContact CZ2-CD2 3.64Å; W669-L707 HydrophobicContact CZ2-CG 3.97Å; W669-L707 HydrophobicContact CZ3-CD1 3.99Å; W669-L707 HydrophobicContact CZ3-CD2 4.26Å; W669-L707 HydrophobicContact CZ3-CG 3.78Å; W669-F739 HydrophobicContact CB-CE1 3.63Å; W669-F739 HydrophobicContact CB-CZ 3.59Å
670	D	97.1	Very high	97.7	Very high	62 Å²	62	33.1 Å²	33.1	33%	0.332	19%	0.185	S	C	.	.	H	α-helix	trans	-57	-32.8	-172.1	-76.8	-24.2	0	0	0	113.5	R667 K672 Q674	R667-D670 WeakPolarHBondContact CB-OD2 3.47Å; R667-D670 WeakPolarHBondContact CD-OD2 3.42Å; R667-D670 IonicContact CZ-OD1 3.19Å; R667-D670 IonicContact CZ-OD2 2.64Å; R667-D670 IonicContact NE-OD1 2.91Å; R667-D670 PolarHBondContact NE-OD1 3.04Å; R667-D670 VanDerWaalsContact NE-OD1 3.12Å; R667-D670 IonicContact NE-OD2 3.32Å; R667-D670 PolarHBondContact NE-OD2 2.62Å; R667-D670 IonicContact NH2-OD1 3.16Å; R667-D670 PolarHBondContact NH2-OD1 2.6Å; R667-D670 IonicContact NH2-OD2 3.93Å; D670-K672 PolarHBondContact O-N 2.9Å; D670-Q674 WeakPolarHBondContact O-CA 3.42Å; D670-Q674 PolarHBondContact O-N 2.66Å
671	S	95.8	Very high	97.7	Very high	76 Å²	76	33.2 Å²	33.2	53%	0.531	19%	0.185	S	C	.	.	H	α-helix	trans	-54.5	-45.3	175.4	50.7	0	0	0	0	113.6	W669 Q742	W669-S671 PolarHBondContact O-N 3.17Å; W669-S671 VanDerWaalsContact O-N 3.11Å; S671-Q742 PolarHBondContact OG-OE1 2.97Å
672	K	97.1	Very high	97.7	Very high	24 Å²	24	33.5 Å²	33.5	10%	0.104	19%	0.187	C	C	.	.	H	α-helix	trans	-93.7	-44.3	-175.2	-171.9	-165.7	-63.8	-76.7	0	111.4	I466 G470 I472 W669 D670 L738 F739 E741	I466-K672 HydrophobicContact CD1-CD 3.73Å; I466-K672 HydrophobicContact CG1-CD 4.5Å; G470-K672 PolarHBondContact O-NZ 2.84Å; I472-K672 HydrophobicContact CD1-CG 4Å; I472-K672 HydrophobicContact CG1-CG 4.48Å; W669-K672 PolarHBondContact O-N 3.16Å; D670-K672 PolarHBondContact O-N 2.9Å; K672-L738 VanDerWaalsContact CE-O 3.29Å; K672-L738 WeakPolarHBondContact CE-O 3.29Å; K672-F739 HydrophobicContact CB-CD1 4.46Å; K672-F739 HydrophobicContact CB-CE1 3.94Å; K672-F739 HydrophobicContact CD-CD1 4.14Å; K672-F739 HydrophobicContact CD-CE1 3.8Å; K672-F739 HydrophobicContact CD-CZ 4.31Å; K672-F739 VanDerWaalsContact CE-CD1 3.41Å; K672-F739 HydrophobicContact CG-CE1 4.48Å; K672-E741 WeakPolarHBondContact CE-OE1 3.34Å; K672-E741 IonicContact NZ-OE1 2.79Å; K672-E741 PolarHBondContact NZ-OE1 2.92Å; K672-E741 IonicContact NZ-OE2 3Å
673	I	96.4	Very high	97.6	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-83.8	-23	-170	-54.9	-51.9	0	0	0	112.4	I466 W669 G675 A676 F679 F739	I466-I673 HydrophobicContact CD1-CD1 3.62Å; W669-I673 HydrophobicContact CB-CG1 3.8Å; W669-I673 HydrophobicContact CG-CG1 4.35Å; W669-I673 WeakPolarHBondContact O-CB 3.26Å; W669-I673 WeakPolarHBondContact O-CG1 3.28Å; W669-I673 PolarHBondContact O-N 2.74Å; I673-G675 PolarHBondContact O-N 3.44Å; I673-G675 VanDerWaalsContact O-N 3.1Å; I673-A676 HydrophobicContact CG2-CB 3.93Å; I673-A676 WeakPolarHBondContact CG2-O 3.46Å; I673-A676 PolarHBondContact O-N 2.99Å; I673-F679 HydrophobicContact CD1-CB 3.79Å; I673-F679 HydrophobicContact CD1-CD1 3.57Å; I673-F679 HydrophobicContact CD1-CD2 4.41Å; I673-F679 HydrophobicContact CD1-CE1 4.2Å; I673-F679 HydrophobicContact CD1-CG 3.68Å; I673-F679 HydrophobicContact CG1-CD1 3.75Å; I673-F679 HydrophobicContact CG1-CE1 4.06Å; I673-F679 HydrophobicContact CG1-CG 4.38Å; I673-F679 HydrophobicContact CG2-CD1 4.18Å; I673-F739 HydrophobicContact CD1-CE1 4.49Å; I673-F739 HydrophobicContact CD1-CZ 4.08Å; I673-F739 HydrophobicContact CG1-CE1 4.29Å; I673-F739 HydrophobicContact CG1-CZ 4.02Å
674	Q	95.1	Very high	97.3	Very high	129 Å²	129	33.7 Å²	33.7	60%	0.603	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	32.8	168.1	-59	171.2	-16.6	0	0	114.4	D670	D670-Q674 WeakPolarHBondContact O-CA 3.42Å; D670-Q674 PolarHBondContact O-N 2.66Å
675	G	94.3	Very high	97.1	Very high	59 Å²	59	36.1 Å²	36.1	61%	0.608	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.1	16.9	179.6	0	0	0	0	0	115.7	I673	I673-G675 PolarHBondContact O-N 3.44Å; I673-G675 VanDerWaalsContact O-N 3.1Å
676	A	97.3	Very high	96.9	Very high	14 Å²	14	35.6 Å²	35.6	12%	0.116	20%	0.202	C	C	.	.			trans	-69.4	139.6	162.7	0	0	0	0	0	110.8	R462 I673 F678	R462-A676 HydrophobicContact CB-CB 4.32Å; R462-A676 HydrophobicContact CG-CB 4.16Å; I673-A676 HydrophobicContact CG2-CB 3.93Å; I673-A676 WeakPolarHBondContact CG2-O 3.46Å; I673-A676 PolarHBondContact O-N 2.99Å; A676-F678 PolarHBondContact O-N 3.14Å
677	D	98.3	Very high	96.7	Very high	26 Å²	26	33.8 Å²	33.8	14%	0.139	21%	0.206	C	C	.	.	S	Bend	trans	-68	-20.7	-175.8	-64	-58.1	0	0	0	113.8	H457 L459 G460 D697	H457-D677 IonicContact CD2-OD1 2.88Å; H457-D677 IonicContact CE1-OD1 2.71Å; H457-D677 IonicContact NE2-OD1 3.99Å; H457-D677 PolarHBondContact NE2-OD1 3.5Å; H457-D677 IonicContact NE2-OD2 3.12Å; L459-D677 WeakPolarHBondContact CA-OD2 3.45Å; L459-D677 HydrophobicContact CD2-CB 4.07Å; G460-D677 PolarHBondContact N-OD2 3.01Å; D677-D697 PolarHBondContact O-N 3.03Å
678	F	98.6	Very high	96.5	Very high	35 Å²	35	36 Å²	36	15%	0.154	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	161.1	-179.8	41.2	-85.5	0	0	0	111.8	L459 G460 C463 A676 V694 F695 Y696	L459-F678 HydrophobicContact CB-CE1 4.02Å; L459-F678 HydrophobicContact CD1-CE1 4.31Å; L459-F678 HydrophobicContact CD2-CD1 4.41Å; L459-F678 HydrophobicContact CD2-CE1 4.06Å; L459-F678 HydrophobicContact CG-CE1 4.34Å; G460-F678 WeakPolarHBondContact O-CZ 3.4Å; C463-F678 HydrophobicContact CB-CD2 3.72Å; C463-F678 HydrophobicContact CB-CE2 3.72Å; A676-F678 PolarHBondContact O-N 3.14Å; F678-V694 HydrophobicContact CB-CG1 3.95Å; F678-V694 HydrophobicContact CD2-CG1 4.44Å; F678-F695 CarbonylContact C-O 3.59Å; F678-F695 WeakPolarHBondContact CA-O 3.34Å; F678-F695 WeakPolarHBondContact CB-O 3.43Å; F678-Y696 HydrophobicContact CB-CD1 3.86Å; F678-Y696 HydrophobicContact CB-CE1 4.33Å; F678-Y696 HydrophobicContact CB-CG 4.3Å; F678-Y696 HydrophobicContact CD1-CD1 4.05Å; F678-Y696 HydrophobicContact CD1-CE1 4.31Å; F678-Y696 HydrophobicContact CG-CD1 4.14Å; F678-Y696 HydrophobicContact CG-CE1 4.3Å
679	F	98.8	Very high	96.4	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.009	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	149.8	174.8	57.5	-91.7	0	0	0	111.6	I466 I673 V694 F695 L707 L735 L738 F739	I466-F679 HydrophobicContact CD1-CB 3.99Å; I466-F679 HydrophobicContact CD1-CD2 3.7Å; I466-F679 HydrophobicContact CD1-CE2 4.41Å; I466-F679 HydrophobicContact CD1-CG 4.01Å; I673-F679 HydrophobicContact CD1-CB 3.79Å; I673-F679 HydrophobicContact CD1-CD1 3.57Å; I673-F679 HydrophobicContact CD1-CD2 4.41Å; I673-F679 HydrophobicContact CD1-CE1 4.2Å; I673-F679 HydrophobicContact CD1-CG 3.68Å; I673-F679 HydrophobicContact CG1-CD1 3.75Å; I673-F679 HydrophobicContact CG1-CE1 4.06Å; I673-F679 HydrophobicContact CG1-CG 4.38Å; I673-F679 HydrophobicContact CG2-CD1 4.18Å; F679-V694 WeakPolarHBondContact O-CA 3.39Å; F679-F695 HydrophobicContact CD1-CB 4.22Å; F679-F695 HydrophobicContact CD2-CB 4.01Å; F679-F695 HydrophobicContact CD2-CD2 4.29Å; F679-F695 HydrophobicContact CD2-CG 4.49Å; F679-F695 HydrophobicContact CE1-CB 3.77Å; F679-F695 HydrophobicContact CE2-CB 3.54Å; F679-F695 AromaticContact CE2-CD2 3.68Å; F679-F695 HydrophobicContact CE2-CD2 3.68Å; F679-F695 AromaticContact CE2-CG 3.74Å; F679-F695 HydrophobicContact CE2-CG 3.74Å; F679-F695 HydrophobicContact CG-CB 4.34Å; F679-F695 HydrophobicContact CZ-CB 3.41Å; F679-F695 VanDerWaalsContact CZ-CB 3.41Å; F679-F695 HydrophobicContact CZ-CD1 4.48Å; F679-F695 HydrophobicContact CZ-CD2 4.25Å; F679-F695 AromaticContact CZ-CG 3.82Å; F679-F695 HydrophobicContact CZ-CG 3.82Å; F679-F695 PolarHBondContact N-O 2.86Å; F679-F695 PolarHBondContact O-N 3.14Å; F679-L707 HydrophobicContact CE1-CD2 4.25Å; F679-L707 HydrophobicContact CZ-CD1 4.26Å; F679-L735 HydrophobicContact CZ-CD2 4.32Å; F679-L738 HydrophobicContact CE2-CD1 4.12Å; F679-F739 HydrophobicContact CE1-CZ 4.31Å; F679-F739 AromaticContact CE2-CE2 3.87Å; F679-F739 HydrophobicContact CE2-CE2 3.87Å; F679-F739 HydrophobicContact CE2-CZ 4.22Å; F679-F739 AromaticContact CZ-CE2 3.76Å; F679-F739 HydrophobicContact CZ-CE2 3.76Å; F679-F739 AromaticContact CZ-CZ 3.91Å; F679-F739 HydrophobicContact CZ-CZ 3.91Å
680	G	98.6	Very high	96.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	148.9	-179.3	0	0	0	0	0	112.4	D464 I466	D464-G680 PolarHBondContact O-N 2.95Å; I466-G680 PolarHBondContact N-O 2.98Å
681	H	98.6	Very high	96.4	Very high	3 Å²	3	35.4 Å²	35.4	1%	0.014	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	113.3	170.8	165	-150.9	0	0	0	108.2	P683 L691 F692 S693 L738	H681-P683 WeakPolarHBondContact O-CD 3.39Å; H681-L691 PolarHBondContact CE1-O 2.82Å; H681-L691 PolarHBondContact ND1-O 3.45Å; H681-L691 VanDerWaalsContact ND1-O 3.08Å; H681-F692 VanDerWaalsContact CB-O 3.3Å; H681-F692 WeakPolarHBondContact CB-O 3.44Å; H681-F692 PolarHBondContact ND1-O 2.93Å; H681-S693 PolarHBondContact N-O 2.89Å; H681-L738 HydrophobicContact CB-CD1 4.07Å; H681-L738 HydrophobicContact CB-CD2 4.46Å
682	V	98.5	Very high	96.5	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.03	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	111.4	172.5	178.4	0	0	0	0	108	L465 I466 Q467 L529 K532 V533	L465-V682 HydrophobicContact CB-CG2 3.74Å; I466-V682 PolarHBondContact O-N 3.27Å; Q467-V682 HydrophobicContact CG-CB 4.12Å; Q467-V682 HydrophobicContact CG-CG1 4.34Å; Q467-V682 HydrophobicContact CG-CG2 4.22Å; L529-V682 HydrophobicContact CD1-CG1 4.22Å; K532-V682 HydrophobicContact CB-CG1 3.66Å; V533-V682 HydrophobicContact CG2-CG1 4.12Å; V533-V682 HydrophobicContact CG2-CG2 4.22Å
683	P	96.6	Very high	96.5	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.013	18%	0.184	C	C	.	.			trans	-74.3	149.1	-165.7	30.1	-37.3	0	0	0	112.8	K532 Q535 H681 N685 R689	K532-P683 WeakPolarHBondContact CG-O 3.43Å; K532-P683 WeakPolarHBondContact O-CD 3.38Å; Q535-P683 HydrophobicContact CB-CG 3.82Å; H681-P683 WeakPolarHBondContact O-CD 3.39Å; P683-N685 VanDerWaalsContact C-N 3.26Å; P683-N685 PolarHBondContact O-N 3.36Å; P683-R689 HydrophobicContact CB-CB 4.16Å; P683-R689 HydrophobicContact CG-CB 3.9Å
684	P	93.3	Very high	96.6	Very high	28 Å²	28	31.1 Å²	31.1	18%	0.182	19%	0.186	C	C	.	.	S	Bend	trans	-67.4	-23.2	-178.4	24.9	-34.5	0	0	0	114	K532 Q688	K532-P684 WeakPolarHBondContact CE-O 3.24Å; K532-P684 PolarHBondContact NZ-O 3.03Å; P684-Q688 HydrophobicContact CG-CB 4.26Å
685	N	93.4	Very high	96.8	Very high	53 Å²	53	25 Å²	25	28%	0.283	16%	0.157	S	C	.	.	S	Bend	trans	-165.8	166.5	176	60.3	82.7	0	0	0	111	P683 S687 Q688 R689	P683-N685 VanDerWaalsContact C-N 3.26Å; P683-N685 PolarHBondContact O-N 3.36Å; N685-S687 PolarHBondContact O-N 2.64Å; N685-S687 PolarHBondContact OD1-N 2.99Å; N685-S687 VanDerWaalsContact OD1-N 3.14Å; N685-S687 PolarHBondContact OD1-OG 3.43Å; N685-Q688 PolarHBondContact ND2-NE2 2.78Å; N685-Q688 PolarHBondContact O-N 3.11Å; N685-Q688 PolarHBondContact OD1-N 3.5Å; N685-R689 PolarHBondContact O-N 3.27Å
686	S	93.9	Very high	97	Very high	70 Å²	70	23.5 Å²	23.5	49%	0.49	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-58.9	-37.8	-178.4	53.3	0	0	0	0	114.4	Q688 R689	S686-Q688 PolarHBondContact O-N 3.29Å; S686-R689 VanDerWaalsContact O-CG 3.29Å; S686-R689 WeakPolarHBondContact O-CG 3.31Å; S686-R689 PolarHBondContact O-N 2.58Å
687	S	93.2	Very high	97.1	Very high	76 Å²	76	23.5 Å²	23.5	53%	0.531	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-68.9	-19	-179.4	75.6	0	0	0	0	113.8	N685	N685-S687 PolarHBondContact O-N 2.64Å; N685-S687 PolarHBondContact OD1-N 2.99Å; N685-S687 VanDerWaalsContact OD1-N 3.14Å; N685-S687 PolarHBondContact OD1-OG 3.43Å
688	Q	94.6	Very high	97.1	Very high	79 Å²	79	22.6 Å²	22.6	37%	0.369	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	-105.6	2.1	179.6	-66.9	-179.8	32.5	0	0	113	P684 N685 S686 G690 L691	P684-Q688 HydrophobicContact CG-CB 4.26Å; N685-Q688 PolarHBondContact ND2-NE2 2.78Å; N685-Q688 PolarHBondContact O-N 3.11Å; N685-Q688 PolarHBondContact OD1-N 3.5Å; S686-Q688 PolarHBondContact O-N 3.29Å; Q688-G690 PolarHBondContact O-N 3.32Å; Q688-G690 VanDerWaalsContact O-N 3.07Å; Q688-L691 HydrophobicContact CB-CD1 4.14Å; Q688-L691 HydrophobicContact CG-CD1 4.12Å; Q688-L691 WeakPolarHBondContact O-CB 3.28Å; Q688-L691 PolarHBondContact O-N 2.87Å
689	R	97.1	Very high	97	Very high	36 Å²	36	21.7 Å²	21.7	14%	0.136	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-30.3	-174.4	77.7	-175	178.3	-156.5	-2.7	114.4	Q535 S539 E542 P683 N685 S686 L691	Q535-R689 HydrophobicContact CB-CB 4.18Å; S539-R689 WeakPolarHBondContact CB-O 3.42Å; S539-R689 PolarHBondContact OG-O 2.86Å; E542-R689 IonicContact OE1-CZ 3.41Å; E542-R689 IonicContact OE1-NE 2.69Å; E542-R689 IonicContact OE1-NH2 2.71Å; E542-R689 PolarHBondContact OE1-NH2 3.19Å; E542-R689 IonicContact OE2-CZ 3.55Å; E542-R689 IonicContact OE2-NE 3.2Å; E542-R689 PolarHBondContact OE2-NE 3.2Å; E542-R689 IonicContact OE2-NH2 3.28Å; E542-R689 PolarHBondContact OE2-NH2 3.22Å; P683-R689 HydrophobicContact CB-CB 4.16Å; P683-R689 HydrophobicContact CG-CB 3.9Å; N685-R689 PolarHBondContact O-N 3.27Å; S686-R689 VanDerWaalsContact O-CG 3.29Å; S686-R689 WeakPolarHBondContact O-CG 3.31Å; S686-R689 PolarHBondContact O-N 2.58Å; R689-L691 VanDerWaalsContact C-N 3.34Å
690	G	97.3	Very high	96.7	Very high	3 Å²	3	24 Å²	24	3%	0.031	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-0	177.1	0	0	0	0	0	115.8	Q688 V711 T712 A715	Q688-G690 PolarHBondContact O-N 3.32Å; Q688-G690 VanDerWaalsContact O-N 3.07Å; G690-V711 VanDerWaalsContact O-CA 3.3Å; G690-V711 WeakPolarHBondContact O-CA 3.35Å; G690-T712 WeakPolarHBondContact CA-O 3.37Å; G690-T712 PolarHBondContact O-N 3.14Å; G690-A715 WeakPolarHBondContact O-CB 3.23Å
691	L	97.3	Very high	96.4	Very high	20 Å²	20	30.4 Å²	30.4	11%	0.105	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	103.6	177.2	-73.4	170.6	0	0	0	110.8	H681 Q688 R689 S693 V711 A715 I719	H681-L691 PolarHBondContact CE1-O 2.82Å; H681-L691 PolarHBondContact ND1-O 3.45Å; H681-L691 VanDerWaalsContact ND1-O 3.08Å; Q688-L691 HydrophobicContact CB-CD1 4.14Å; Q688-L691 HydrophobicContact CG-CD1 4.12Å; Q688-L691 WeakPolarHBondContact O-CB 3.28Å; Q688-L691 PolarHBondContact O-N 2.87Å; R689-L691 VanDerWaalsContact C-N 3.34Å; L691-S693 PolarHBondContact O-N 3.2Å; L691-V711 HydrophobicContact CD2-CG1 4.34Å; L691-A715 HydrophobicContact CD2-CB 3.78Å; L691-A715 HydrophobicContact CG-CB 3.71Å; L691-I719 HydrophobicContact CD2-CG2 4.09Å
692	F	98.2	Very high	96	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.3	45.1	170.2	-41.2	-64.9	0	0	0	113	I660 H681 V694 F695 S709 V710 V711 V727 Q730 C731 V734	I660-F692 HydrophobicContact CB-CE1 4.39Å; I660-F692 HydrophobicContact CG2-CD1 3.77Å; I660-F692 HydrophobicContact CG2-CE1 3.62Å; H681-F692 VanDerWaalsContact CB-O 3.3Å; H681-F692 WeakPolarHBondContact CB-O 3.44Å; H681-F692 PolarHBondContact ND1-O 2.93Å; F692-V694 VanDerWaalsContact C-N 3.31Å; F692-V694 PolarHBondContact O-N 3.28Å; F692-F695 HydrophobicContact CB-CE2 3.82Å; F692-F695 HydrophobicContact CB-CZ 3.68Å; F692-F695 HydrophobicContact CG-CZ 4.42Å; F692-F695 WeakPolarHBondContact O-CE2 3.36Å; F692-S709 VanDerWaalsContact CA-OG 3.23Å; F692-S709 WeakPolarHBondContact CA-OG 3.34Å; F692-S709 WeakPolarHBondContact CB-OG 3.25Å; F692-V710 VanDerWaalsContact CA-O 3.28Å; F692-V710 WeakPolarHBondContact CA-O 3.33Å; F692-V710 PolarHBondContact N-O 2.73Å; F692-V710 VanDerWaalsContact N-O 3.13Å; F692-V711 HydrophobicContact CD1-CG2 3.86Å; F692-V711 HydrophobicContact CE1-CG2 3.48Å; F692-V711 VanDerWaalsContact CE1-CG2 3.48Å; F692-V711 HydrophobicContact CZ-CG2 4.11Å; F692-V727 HydrophobicContact CE1-CG1 4.39Å; F692-V727 HydrophobicContact CZ-CG1 4.05Å; F692-Q730 HydrophobicContact CE2-CB 4.1Å; F692-C731 HydrophobicContact CD1-CB 4.28Å; F692-C731 HydrophobicContact CD2-CB 4.22Å; F692-C731 HydrophobicContact CE1-CB 3.88Å; F692-C731 HydrophobicContact CE2-CB 3.83Å; F692-C731 HydrophobicContact CG-CB 4.44Å; F692-C731 HydrophobicContact CZ-CB 3.64Å; F692-V734 HydrophobicContact CD2-CG2 4.21Å
693	S	97	Very high	95.8	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	-27.9	-171.8	55.3	0	0	0	0	114.1	F536 S539 H681 L691	F536-S693 WeakPolarHBondContact CE2-O 3Å; S539-S693 VanDerWaalsContact OG-CB 3.23Å; S539-S693 WeakPolarHBondContact OG-CB 3.28Å; H681-S693 PolarHBondContact N-O 2.89Å; L691-S693 PolarHBondContact O-N 3.2Å
694	V	98.7	Very high	95.8	Very high	10 Å²	10	40.1 Å²	40.1	6%	0.061	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	136.5	172.9	-178.9	0	0	0	0	109.3	F536 F678 F679 F692 Y696 S709	F536-V694 HydrophobicContact CE2-CG2 3.94Å; F536-V694 HydrophobicContact CZ-CG2 4.27Å; F678-V694 HydrophobicContact CB-CG1 3.95Å; F678-V694 HydrophobicContact CD2-CG1 4.44Å; F679-V694 WeakPolarHBondContact O-CA 3.39Å; F692-V694 VanDerWaalsContact C-N 3.31Å; F692-V694 PolarHBondContact O-N 3.28Å; V694-Y696 HydrophobicContact CB-CE2 3.98Å; V694-Y696 HydrophobicContact CG1-CD2 4.1Å; V694-Y696 HydrophobicContact CG1-CE1 4.13Å; V694-Y696 HydrophobicContact CG1-CE2 3.66Å; V694-S709 WeakPolarHBondContact O-CA 3.3Å; V694-S709 WeakPolarHBondContact O-CB 3.47Å; V694-S709 PolarHBondContact O-OG 2.98Å
695	F	98.9	Very high	96	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	130.5	168.7	-72.8	-96.6	0	0	0	109.3	F678 F679 F692 L707 M708 V734 L735 L738	F678-F695 CarbonylContact C-O 3.59Å; F678-F695 WeakPolarHBondContact CA-O 3.34Å; F678-F695 WeakPolarHBondContact CB-O 3.43Å; F679-F695 HydrophobicContact CD1-CB 4.22Å; F679-F695 HydrophobicContact CD2-CB 4.01Å; F679-F695 HydrophobicContact CD2-CD2 4.29Å; F679-F695 HydrophobicContact CD2-CG 4.49Å; F679-F695 HydrophobicContact CE1-CB 3.77Å; F679-F695 HydrophobicContact CE2-CB 3.54Å; F679-F695 AromaticContact CE2-CD2 3.68Å; F679-F695 HydrophobicContact CE2-CD2 3.68Å; F679-F695 AromaticContact CE2-CG 3.74Å; F679-F695 HydrophobicContact CE2-CG 3.74Å; F679-F695 HydrophobicContact CG-CB 4.34Å; F679-F695 HydrophobicContact CZ-CB 3.41Å; F679-F695 VanDerWaalsContact CZ-CB 3.41Å; F679-F695 HydrophobicContact CZ-CD1 4.48Å; F679-F695 HydrophobicContact CZ-CD2 4.25Å; F679-F695 AromaticContact CZ-CG 3.82Å; F679-F695 HydrophobicContact CZ-CG 3.82Å; F679-F695 PolarHBondContact N-O 2.86Å; F679-F695 PolarHBondContact O-N 3.14Å; F692-F695 HydrophobicContact CB-CE2 3.82Å; F692-F695 HydrophobicContact CB-CZ 3.68Å; F692-F695 HydrophobicContact CG-CZ 4.42Å; F692-F695 WeakPolarHBondContact O-CE2 3.36Å; F695-L707 HydrophobicContact CD1-CB 4.49Å; F695-L707 HydrophobicContact CD1-CD1 4.28Å; F695-M708 CarbonylContact C-O 3.57Å; F695-M708 WeakPolarHBondContact CA-O 3.38Å; F695-V734 HydrophobicContact CE2-CG1 4.1Å; F695-V734 HydrophobicContact CZ-CG1 4.21Å; F695-L735 HydrophobicContact CD1-CD2 3.85Å; F695-L735 HydrophobicContact CD1-CG 4.48Å; F695-L735 HydrophobicContact CE1-CD1 3.98Å; F695-L735 HydrophobicContact CE1-CD2 3.53Å; F695-L735 HydrophobicContact CE1-CG 3.7Å; F695-L735 HydrophobicContact CE2-CD2 4.27Å; F695-L735 HydrophobicContact CG-CD2 4.36Å; F695-L735 HydrophobicContact CZ-CD2 3.75Å; F695-L735 HydrophobicContact CZ-CG 3.85Å; F695-L738 HydrophobicContact CD2-CD1 4.22Å; F695-L738 HydrophobicContact CE2-CD1 3.86Å
696	Y	98.8	Very high	96.3	Very high	27 Å²	27	36.9 Å²	36.9	11%	0.106	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	134.8	179	-59.3	-96.1	0	0	0	109.9	I436 F678 V694 L707 M708 V710	I436-Y696 HydrophobicContact CD1-CE1 4.09Å; F678-Y696 HydrophobicContact CB-CD1 3.86Å; F678-Y696 HydrophobicContact CB-CE1 4.33Å; F678-Y696 HydrophobicContact CB-CG 4.3Å; F678-Y696 HydrophobicContact CD1-CD1 4.05Å; F678-Y696 HydrophobicContact CD1-CE1 4.31Å; F678-Y696 HydrophobicContact CG-CD1 4.14Å; F678-Y696 HydrophobicContact CG-CE1 4.3Å; V694-Y696 HydrophobicContact CB-CE2 3.98Å; V694-Y696 HydrophobicContact CG1-CD2 4.1Å; V694-Y696 HydrophobicContact CG1-CE1 4.13Å; V694-Y696 HydrophobicContact CG1-CE2 3.66Å; Y696-L707 CarbonylContact O-C 3.59Å; Y696-L707 WeakPolarHBondContact O-CA 3.43Å; Y696-M708 HydrophobicContact CD2-CE 3.38Å; Y696-M708 HydrophobicContact CD2-SD 4.16Å; Y696-M708 HydrophobicContact CE2-CE 3.97Å; Y696-M708 HydrophobicContact CG-CE 3.77Å; Y696-M708 PolarHBondContact N-O 3.17Å; Y696-M708 PolarHBondContact O-N 3.38Å; Y696-V710 HydrophobicContact CE2-CG2 4.25Å
697	D	98.6	Very high	96.5	Very high	15 Å²	15	33.5 Å²	33.5	8%	0.08	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	128.2	166.1	-158.6	-36.7	0	0	0	109.5	R667 W669 D677 D699	R667-D697 IonicContact CZ-OD1 2.64Å; R667-D697 IonicContact CZ-OD2 2.67Å; R667-D697 IonicContact NH1-OD1 3.85Å; R667-D697 PolarHBondContact NH1-OD1 2.99Å; R667-D697 IonicContact NH1-OD2 4Å; R667-D697 PolarHBondContact NH1-OD2 3.22Å; R667-D697 IonicContact NH2-OD2 2.62Å; R667-D697 PolarHBondContact NH2-OD2 2.92Å; W669-D697 PolarHBondContact NE1-OD2 2.97Å; D677-D697 PolarHBondContact O-N 3.03Å; D697-D699 PolarHBondContact OD1-N 2.91Å; D697-D699 VanDerWaalsContact OD1-N 3.08Å
698	M	98.4	Very high	96.8	Very high	7 Å²	7	30.3 Å²	30.3	3%	0.034	16%	0.156	C	C	.	.	S	Bend	trans	-95.4	-2.4	-176.7	-58.8	-54.3	-49.8	0	0	113.4	V428 V430 L572 I706 M708	V428-M698 HydrophobicContact CG1-CB 3.92Å; V428-M698 VanDerWaalsContact CG1-O 3.25Å; V428-M698 WeakPolarHBondContact CG1-O 3.47Å; V430-M698 HydrophobicContact CG1-CE 4.37Å; V430-M698 HydrophobicContact CG1-CG 4.48Å; L572-M698 HydrophobicContact CD1-CE 4.03Å; L572-M698 HydrophobicContact CD2-CE 4.29Å; M698-I706 HydrophobicContact CB-CB 4.11Å; M698-I706 HydrophobicContact CB-CG2 3.89Å; M698-I706 HydrophobicContact CG-CG2 3.97Å; M698-I706 PolarHBondContact N-O 3.07Å; M698-M708 HydrophobicContact CG-CB 3.75Å; M698-M708 HydrophobicContact SD-CB 3.43Å; M698-M708 WeakPolarHBondContact SD-CB 3.48Å; M698-M708 HydrophobicContact SD-CE 4.32Å; M698-M708 HydrophobicContact SD-CG 4.29Å
699	D	97.1	Very high	97	Very high	15 Å²	15	26.5 Å²	26.5	8%	0.08	14%	0.139	C	C	.	.			trans	-123.3	93.5	173.9	-175.8	17.3	0	0	0	113.3	V428 D697 E701 G702 K703 Q704	V428-D699 HydrophobicContact CG2-CB 3.93Å; D697-D699 PolarHBondContact OD1-N 2.91Å; D697-D699 VanDerWaalsContact OD1-N 3.08Å; D699-E701 PolarHBondContact O-N 2.93Å; D699-E701 WeakPolarHBondContact OD1-CB 3.46Å; D699-E701 PolarHBondContact OD1-N 2.88Å; D699-G702 PolarHBondContact O-N 2.57Å; D699-K703 WeakPolarHBondContact OD2-CA 3.49Å; D699-K703 WeakPolarHBondContact OD2-CB 3.47Å; D699-K703 PolarHBondContact OD2-N 3.14Å; D699-Q704 HydrophobicContact CB-CB 4.1Å; D699-Q704 PolarHBondContact OD2-N 3Å
700	P	91.6	Very high	97.1	Very high	50 Å²	50	25 Å²	25	33%	0.325	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-12.1	172	-27.2	37.6	0	0	0	115.7	H457 L572 T574	H457-P700 HydrophobicContact CB-CB 4.17Å; H457-P700 HydrophobicContact CB-CG 3.85Å; H457-P700 WeakPolarHBondContact CD2-CG 3.3Å; L572-P700 HydrophobicContact CD2-CG 4.09Å; T574-P700 HydrophobicContact CG2-CG 3.93Å
701	E	92.6	Very high	97.1	Very high	136 Å²	136	25 Å²	25	64%	0.636	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-7.4	173	-55.9	-164.3	163.2	0	0	113.3	D699 K703	D699-E701 PolarHBondContact O-N 2.93Å; D699-E701 WeakPolarHBondContact OD1-CB 3.46Å; D699-E701 PolarHBondContact OD1-N 2.88Å; E701-K703 VanDerWaalsContact C-N 3.33Å; E701-K703 HydrophobicContact CB-CD 3.9Å; E701-K703 HydrophobicContact CB-CG 4.27Å; E701-K703 PolarHBondContact O-N 3.49Å; E701-K703 WeakPolarHBondContact OE2-CE 3.5Å; E701-K703 IonicContact OE2-NZ 3.72Å; E701-K703 PolarHBondContact OE2-NZ 2.7Å
702	G	91.1	Very high	97.1	Very high	38 Å²	38	24 Å²	24	39%	0.392	13%	0.128	S	C	.	.	S	Bend	trans	68.9	22.8	177.2	0	0	0	0	0	115	R667 D699	R667-G702 WeakPolarHBondContact CD-O 3.37Å; D699-G702 PolarHBondContact O-N 2.57Å
703	K	93.1	Very high	97	Very high	137 Å²	137	24.5 Å²	24.5	60%	0.596	13%	0.132	S	C	*	.			trans	-106	-28	-172.4	-66.5	165.7	-170.9	170.1	0	113.4	D699 E701	D699-K703 WeakPolarHBondContact OD2-CA 3.49Å; D699-K703 WeakPolarHBondContact OD2-CB 3.47Å; D699-K703 PolarHBondContact OD2-N 3.14Å; E701-K703 VanDerWaalsContact C-N 3.33Å; E701-K703 HydrophobicContact CB-CD 3.9Å; E701-K703 HydrophobicContact CB-CG 4.27Å; E701-K703 PolarHBondContact O-N 3.49Å; E701-K703 WeakPolarHBondContact OE2-CE 3.5Å; E701-K703 IonicContact OE2-NZ 3.72Å; E701-K703 PolarHBondContact OE2-NZ 2.7Å
704	Q	97.4	Very high	96.8	Very high	39 Å²	39	28.1 Å²	28.1	18%	0.182	15%	0.152	C	C	.	.	S	Bend	trans	-112.5	154.3	178.8	-49.3	-52.4	-50.2	0	0	110.4	K426 V428 R667 D699 I706	K426-Q704 WeakPolarHBondContact O-CG 3.48Å; V428-Q704 HydrophobicContact CG2-CB 4.01Å; V428-Q704 HydrophobicContact CG2-CG 3.92Å; R667-Q704 WeakPolarHBondContact CD-O 3.45Å; R667-Q704 WeakPolarHBondContact CG-O 3.43Å; R667-Q704 PolarHBondContact NH1-O 3.46Å; D699-Q704 HydrophobicContact CB-CB 4.1Å; D699-Q704 PolarHBondContact OD2-N 3Å; Q704-I706 HydrophobicContact CB-CD1 4.34Å
705	S	98.2	Very high	96.7	Very high	11 Å²	11	27.7 Å²	27.7	8%	0.077	15%	0.149	C	C	.	.			trans	-111.6	80.3	-177.7	36.9	0	0	0	0	110.2	Q663 F664 Y666	Q663-S705 CarbonylContact C-O 3.57Å; Q663-S705 WeakPolarHBondContact CA-O 3.13Å; F664-S705 PolarHBondContact N-O 3.2Å; F664-S705 PolarHBondContact O-OG 2.83Å; Y666-S705 PolarHBondContact N-OG 3.21Å; Y666-S705 VanDerWaalsContact O-CB 3.31Å; Y666-S705 WeakPolarHBondContact O-CB 3.27Å
706	I	98.8	Very high	96.6	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	122.4	176.8	-60.4	155.2	0	0	0	109.5	F425 V428 V430 L662 Q663 M698 Q704	F425-I706 HydrophobicContact CB-CD1 3.77Å; F425-I706 HydrophobicContact CD1-CD1 4.04Å; F425-I706 HydrophobicContact CD1-CG1 4.11Å; F425-I706 HydrophobicContact CD1-CG2 4.21Å; F425-I706 HydrophobicContact CE1-CG2 4.43Å; F425-I706 HydrophobicContact CG-CD1 4.27Å; V428-I706 HydrophobicContact CB-CD1 3.62Å; V428-I706 HydrophobicContact CG1-CD1 3.98Å; V428-I706 HydrophobicContact CG2-CD1 3.94Å; V430-I706 HydrophobicContact CG2-CG2 3.95Å; L662-I706 CarbonylContact O-C 3.59Å; L662-I706 VanDerWaalsContact O-CA 3.29Å; L662-I706 WeakPolarHBondContact O-CA 3.45Å; Q663-I706 HydrophobicContact CB-CG1 3.99Å; Q663-I706 HydrophobicContact CG-CG1 3.78Å; M698-I706 HydrophobicContact CB-CB 4.11Å; M698-I706 HydrophobicContact CB-CG2 3.89Å; M698-I706 HydrophobicContact CG-CG2 3.97Å; M698-I706 PolarHBondContact N-O 3.07Å; Q704-I706 HydrophobicContact CB-CD1 4.34Å
707	L	98.9	Very high	96.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	148.8	170.1	-66.1	176.9	0	0	0	110.5	A661 L662 F664 F668 W669 F679 F695 Y696 L735	A661-L707 CarbonylContact C-O 3.56Å; A661-L707 WeakPolarHBondContact CA-O 3.34Å; L662-L707 PolarHBondContact N-O 2.71Å; L662-L707 PolarHBondContact O-N 2.71Å; F664-L707 HydrophobicContact CE2-CB 4.32Å; F664-L707 HydrophobicContact CE2-CD1 4.12Å; F664-L707 HydrophobicContact CE2-CG 4.26Å; F668-L707 HydrophobicContact CE1-CD1 4.44Å; F668-L707 HydrophobicContact CZ-CD1 4.02Å; W669-L707 HydrophobicContact CD2-CD1 4.39Å; W669-L707 HydrophobicContact CD2-CD2 4.05Å; W669-L707 HydrophobicContact CD2-CG 4.36Å; W669-L707 HydrophobicContact CE3-CD1 3.98Å; W669-L707 HydrophobicContact CE3-CD2 4.32Å; W669-L707 HydrophobicContact CE3-CG 4.12Å; W669-L707 HydrophobicContact CH2-CD1 4.39Å; W669-L707 HydrophobicContact CH2-CD2 3.91Å; W669-L707 HydrophobicContact CH2-CG 3.67Å; W669-L707 HydrophobicContact CZ2-CD2 3.64Å; W669-L707 HydrophobicContact CZ2-CG 3.97Å; W669-L707 HydrophobicContact CZ3-CD1 3.99Å; W669-L707 HydrophobicContact CZ3-CD2 4.26Å; W669-L707 HydrophobicContact CZ3-CG 3.78Å; F679-L707 HydrophobicContact CE1-CD2 4.25Å; F679-L707 HydrophobicContact CZ-CD1 4.26Å; F695-L707 HydrophobicContact CD1-CB 4.49Å; F695-L707 HydrophobicContact CD1-CD1 4.28Å; Y696-L707 CarbonylContact O-C 3.59Å; Y696-L707 WeakPolarHBondContact O-CA 3.43Å; L707-L735 HydrophobicContact CD1-CD1 4.41Å; L707-L735 HydrophobicContact CD1-CD2 4.08Å
708	M	98.8	Very high	95.9	Very high	8 Å²	8	34.8 Å²	34.8	4%	0.039	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	142.2	167.5	-175.7	-82.5	-63.1	0	0	109.5	K659 I660 F695 Y696 M698 V710	K659-M708 HydrophobicContact CB-SD 4.45Å; K659-M708 HydrophobicContact CD-CG 4.27Å; K659-M708 HydrophobicContact CD-SD 3.73Å; K659-M708 VanDerWaalsContact CE-SD 3.54Å; K659-M708 HydrophobicContact CG-SD 3.85Å; I660-M708 CarbonylContact O-C 3.5Å; I660-M708 WeakPolarHBondContact O-CA 3.46Å; F695-M708 CarbonylContact C-O 3.57Å; F695-M708 WeakPolarHBondContact CA-O 3.38Å; Y696-M708 HydrophobicContact CD2-CE 3.38Å; Y696-M708 HydrophobicContact CD2-SD 4.16Å; Y696-M708 HydrophobicContact CE2-CE 3.97Å; Y696-M708 HydrophobicContact CG-CE 3.77Å; Y696-M708 PolarHBondContact N-O 3.17Å; Y696-M708 PolarHBondContact O-N 3.38Å; M698-M708 HydrophobicContact CG-CB 3.75Å; M698-M708 HydrophobicContact SD-CB 3.43Å; M698-M708 WeakPolarHBondContact SD-CB 3.48Å; M698-M708 HydrophobicContact SD-CE 4.32Å; M698-M708 HydrophobicContact SD-CG 4.29Å; M708-V710 HydrophobicContact SD-CG2 4.06Å
709	S	98.8	Very high	95.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	163.5	175	-169.1	0	0	0	0	111.4	K659 I660 F692 V694	K659-S709 WeakPolarHBondContact CA-O 3.36Å; I660-S709 PolarHBondContact N-O 3.12Å; I660-S709 PolarHBondContact O-N 2.77Å; F692-S709 VanDerWaalsContact CA-OG 3.23Å; F692-S709 WeakPolarHBondContact CA-OG 3.34Å; F692-S709 WeakPolarHBondContact CB-OG 3.25Å; V694-S709 WeakPolarHBondContact O-CA 3.3Å; V694-S709 WeakPolarHBondContact O-CB 3.47Å; V694-S709 PolarHBondContact O-OG 2.98Å
710	V	98.5	Very high	95.4	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.024	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	143.5	-170	-173.2	0	0	0	0	110.8	Y543 I657 E658 K659 F692 Y696 M708	Y543-V710 HydrophobicContact CD2-CB 4.45Å; Y543-V710 HydrophobicContact CD2-CG1 3.76Å; Y543-V710 HydrophobicContact CE2-CB 4.46Å; Y543-V710 HydrophobicContact CE2-CG1 3.95Å; Y543-V710 HydrophobicContact CE2-CG2 4.09Å; I657-V710 HydrophobicContact CB-CG1 3.88Å; I657-V710 HydrophobicContact CD1-CG1 3.79Å; I657-V710 HydrophobicContact CG1-CG1 4.41Å; I657-V710 HydrophobicContact CG2-CG1 4.24Å; E658-V710 CarbonylContact O-C 3.56Å; E658-V710 WeakPolarHBondContact O-CA 3.49Å; K659-V710 HydrophobicContact CG-CG2 4.36Å; F692-V710 VanDerWaalsContact CA-O 3.28Å; F692-V710 WeakPolarHBondContact CA-O 3.33Å; F692-V710 PolarHBondContact N-O 2.73Å; F692-V710 VanDerWaalsContact N-O 3.13Å; Y696-V710 HydrophobicContact CE2-CG2 4.25Å; M708-V710 HydrophobicContact SD-CG2 4.06Å
711	V	98.4	Very high	95.3	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.8	169.4	-175.2	0	0	0	0	108.7	I657 E658 G690 L691 F692 A715 V716 I719	I657-V711 WeakPolarHBondContact CA-O 3.44Å; I657-V711 WeakPolarHBondContact CB-O 3.5Å; E658-V711 PolarHBondContact N-O 3.09Å; E658-V711 PolarHBondContact O-N 2.76Å; G690-V711 VanDerWaalsContact O-CA 3.3Å; G690-V711 WeakPolarHBondContact O-CA 3.35Å; L691-V711 HydrophobicContact CD2-CG1 4.34Å; F692-V711 HydrophobicContact CD1-CG2 3.86Å; F692-V711 HydrophobicContact CE1-CG2 3.48Å; F692-V711 VanDerWaalsContact CE1-CG2 3.48Å; F692-V711 HydrophobicContact CZ-CG2 4.11Å; V711-A715 HydrophobicContact CG1-CB 3.54Å; V711-V716 HydrophobicContact CG1-CG2 4.18Å; V711-V716 WeakPolarHBondContact O-CG2 3.32Å; V711-I719 HydrophobicContact CB-CD1 4.04Å; V711-I719 HydrophobicContact CG1-CD1 3.88Å; V711-I719 HydrophobicContact CG1-CG1 4.1Å; V711-I719 HydrophobicContact CG1-CG2 4.32Å; V711-I719 HydrophobicContact CG2-CD1 4.16Å
712	T	97.1	Very high	95.5	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	22%	0.215	C	C	.	.			trans	-138.3	172.8	-174.5	-166.9	0	0	0	0	112.6	E542 Y543 G690 A715	E542-T712 VanDerWaalsContact C-OG1 3.22Å; E542-T712 HydrophobicContact CB-CG2 4.13Å; E542-T712 PolarHBondContact O-OG1 2.63Å; Y543-T712 WeakPolarHBondContact CA-OG1 3.44Å; Y543-T712 PolarHBondContact N-OG1 2.86Å; G690-T712 WeakPolarHBondContact CA-O 3.37Å; G690-T712 PolarHBondContact O-N 3.14Å; T712-A715 VanDerWaalsContact O-CB 3.3Å; T712-A715 WeakPolarHBondContact O-CB 3.46Å; T712-A715 PolarHBondContact O-N 3.49Å
713	G	96.2	Very high	95.8	Very high	10 Å²	10	41.1 Å²	41.1	10%	0.103	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	-139.7	177.5	0	0	0	0	0	113	A715 V716	G713-A715 PolarHBondContact O-N 2.8Å; G713-V716 PolarHBondContact O-N 3.1Å
714	D	93.4	Very high	96	Very high	80 Å²	80	37.7 Å²	37.7	43%	0.428	21%	0.205	S	C	.	.	H	α-helix	trans	-62.8	-23.1	180	-66	-20.5	0	0	0	113.6	N548 V716 T717 T718	N548-D714 PolarHBondContact ND2-OD1 2.93Å; N548-D714 PolarHBondContact ND2-OD2 3.19Å; D714-V716 PolarHBondContact O-N 2.89Å; D714-T717 WeakPolarHBondContact O-CB 3.4Å; D714-T717 PolarHBondContact O-N 3.46Å; D714-T717 VanDerWaalsContact O-N 3.08Å; D714-T718 PolarHBondContact O-N 3.44Å; D714-T718 PolarHBondContact O-OG1 2.99Å
715	A	96.2	Very high	96.1	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.008	23%	0.229	C	C	.	.	H	α-helix	trans	-64.9	-29.2	179.5	0	0	0	0	0	112.2	G690 L691 V711 T712 G713 T717 T718 I719	G690-A715 WeakPolarHBondContact O-CB 3.23Å; L691-A715 HydrophobicContact CD2-CB 3.78Å; L691-A715 HydrophobicContact CG-CB 3.71Å; V711-A715 HydrophobicContact CG1-CB 3.54Å; T712-A715 VanDerWaalsContact O-CB 3.3Å; T712-A715 WeakPolarHBondContact O-CB 3.46Å; T712-A715 PolarHBondContact O-N 3.49Å; G713-A715 PolarHBondContact O-N 2.8Å; A715-T717 VanDerWaalsContact C-N 3.3Å; A715-T717 PolarHBondContact O-N 3.49Å; A715-T718 WeakPolarHBondContact O-CB 3.4Å; A715-T718 PolarHBondContact O-N 2.97Å; A715-T718 VanDerWaalsContact O-N 3.13Å; A715-I719 WeakPolarHBondContact O-CG1 3.48Å; A715-I719 PolarHBondContact O-N 3.28Å
716	V	96.1	Very high	96.1	Very high	12 Å²	12	47.1 Å²	47.1	7%	0.073	25%	0.246	C	C	.	.	H	α-helix	trans	-62.9	-38.8	173.5	-177.2	0	0	0	0	110.8	V656 E658 V711 G713 D714 K720	V656-V716 HydrophobicContact CG1-CG1 4.06Å; V656-V716 HydrophobicContact CG2-CG1 4.32Å; E658-V716 HydrophobicContact CG-CG1 4.24Å; V711-V716 HydrophobicContact CG1-CG2 4.18Å; V711-V716 WeakPolarHBondContact O-CG2 3.32Å; G713-V716 PolarHBondContact O-N 3.1Å; D714-V716 PolarHBondContact O-N 2.89Å; V716-K720 PolarHBondContact O-N 3.03Å
717	T	91.8	Very high	96.1	Very high	101 Å²	101	47 Å²	47	62%	0.62	25%	0.245	S	C	*	.	H	α-helix	trans	-66.9	-39.3	173.5	-59.6	0	0	0	0	111.1	D714 A715 K720	D714-T717 WeakPolarHBondContact O-CB 3.4Å; D714-T717 PolarHBondContact O-N 3.46Å; D714-T717 VanDerWaalsContact O-N 3.08Å; A715-T717 VanDerWaalsContact C-N 3.3Å; A715-T717 PolarHBondContact O-N 3.49Å; T717-K720 WeakPolarHBondContact O-CB 3.35Å; T717-K720 PolarHBondContact O-N 3.3Å
718	T	90.8	Very high	96.1	Very high	77 Å²	77	48.3 Å²	48.3	47%	0.472	25%	0.252	S	S	.	.	H	α-helix	trans	-62.6	-46.5	177.8	-56.8	0	0	0	0	112	D714 A715 K720	D714-T718 PolarHBondContact O-N 3.44Å; D714-T718 PolarHBondContact O-OG1 2.99Å; A715-T718 WeakPolarHBondContact O-CB 3.4Å; A715-T718 PolarHBondContact O-N 2.97Å; A715-T718 VanDerWaalsContact O-N 3.13Å; T718-K720 VanDerWaalsContact C-N 3.29Å; T718-K720 PolarHBondContact O-N 3.16Å
719	I	93.7	Very high	96	Very high	2 Å²	2	53 Å²	53	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-77.8	-9.4	179.1	67.9	158.3	0	0	0	114.2	E658 L691 V711 A715 N721 L722 V727 R754	E658-I719 HydrophobicContact CB-CD1 4.01Å; E658-I719 HydrophobicContact CG-CD1 4.15Å; L691-I719 HydrophobicContact CD2-CG2 4.09Å; V711-I719 HydrophobicContact CB-CD1 4.04Å; V711-I719 HydrophobicContact CG1-CD1 3.88Å; V711-I719 HydrophobicContact CG1-CG1 4.1Å; V711-I719 HydrophobicContact CG1-CG2 4.32Å; V711-I719 HydrophobicContact CG2-CD1 4.16Å; A715-I719 WeakPolarHBondContact O-CG1 3.48Å; A715-I719 PolarHBondContact O-N 3.28Å; I719-N721 VanDerWaalsContact C-N 3.26Å; I719-N721 PolarHBondContact O-N 2.87Å; I719-L722 HydrophobicContact CG2-CD1 4.42Å; I719-L722 PolarHBondContact O-N 3.48Å; I719-L722 VanDerWaalsContact O-N 3.15Å; I719-V727 HydrophobicContact CB-CG2 3.82Å; I719-V727 HydrophobicContact CG2-CG1 4.44Å; I719-V727 HydrophobicContact CG2-CG2 4.01Å; I719-R754 PolarHBondContact O-NH1 3.39Å
720	K	90.9	Very high	96	Very high	112 Å²	112	56.1 Å²	56.1	49%	0.487	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-37.2	-173.7	-176.1	175.6	176.5	178.2	0	113.4	V716 T717 T718 K757	V716-K720 PolarHBondContact O-N 3.03Å; T717-K720 WeakPolarHBondContact O-CB 3.35Å; T717-K720 PolarHBondContact O-N 3.3Å; T718-K720 VanDerWaalsContact C-N 3.29Å; T718-K720 PolarHBondContact O-N 3.16Å; K720-K757 WeakPolarHBondContact O-CE 3.48Å; K720-K757 PolarHBondContact O-NZ 3.28Å
721	N	90.8	Very high	96	Very high	146 Å²	146	56 Å²	56	78%	0.781	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-4.5	-177.5	-65.4	-11.8	0	0	0	113.3	I719	I719-N721 VanDerWaalsContact C-N 3.26Å; I719-N721 PolarHBondContact O-N 2.87Å
722	L	96.5	Very high	96	Very high	39 Å²	39	56 Å²	56	20%	0.204	29%	0.288	C	S	.	.	S	Bend	trans	-82.9	146.3	176	-59.3	-176.8	0	0	0	110.8	I719 Q726 V727 R754	I719-L722 HydrophobicContact CG2-CD1 4.42Å; I719-L722 PolarHBondContact O-N 3.48Å; I719-L722 VanDerWaalsContact O-N 3.15Å; L722-Q726 VanDerWaalsContact CA-OE1 3.24Å; L722-Q726 HydrophobicContact CB-CB 3.96Å; L722-Q726 HydrophobicContact CD2-CB 4.37Å; L722-V727 HydrophobicContact CB-CG2 3.9Å; L722-V727 HydrophobicContact CD1-CG2 4.37Å; L722-R754 PolarHBondContact O-NH1 3Å; L722-R754 PolarHBondContact O-NH2 2.99Å
723	D	97.3	Very high	96.1	Very high	81 Å²	81	59.2 Å²	59.2	43%	0.433	31%	0.307	S	S	.	.			trans	-74.7	168.9	167	77.5	47.7	0	0	0	111.9	K725 Q726 V727 R754	D723-K725 VanDerWaalsContact C-N 3.29Å; D723-K725 PolarHBondContact O-N 2.85Å; D723-K725 VanDerWaalsContact OD1-CA 3.31Å; D723-K725 WeakPolarHBondContact OD1-CA 3.26Å; D723-K725 VanDerWaalsContact OD1-CB 3.28Å; D723-K725 WeakPolarHBondContact OD1-CB 3.17Å; D723-K725 PolarHBondContact OD1-N 2.76Å; D723-Q726 PolarHBondContact O-N 2.75Å; D723-Q726 PolarHBondContact OD1-N 3.07Å; D723-V727 WeakPolarHBondContact O-CG2 3.47Å; D723-V727 PolarHBondContact O-N 3.06Å; D723-V727 VanDerWaalsContact O-N 3.1Å; D723-R754 PolarHBondContact O-NH2 3.25Å
724	D	98.2	Very high	96.2	Very high	65 Å²	65	59.5 Å²	59.5	35%	0.348	31%	0.307	S	S	.	.	H	α-helix	trans	-68.1	-26.6	-174.7	-61.6	-14.8	0	0	0	112.9	L728 F750 V752 R754	D724-L728 WeakPolarHBondContact O-CB 3.29Å; D724-L728 PolarHBondContact O-N 3.39Å; D724-F750 HydrophobicContact CB-CE2 4Å; D724-F750 WeakPolarHBondContact O-CE2 3.41Å; D724-V752 HydrophobicContact CB-CB 4.1Å; D724-V752 HydrophobicContact CB-CG2 4Å; D724-R754 IonicContact OD1-CZ 3.7Å; D724-R754 IonicContact OD1-NE 2.82Å; D724-R754 PolarHBondContact OD1-NE 3.39Å; D724-R754 IonicContact OD1-NH2 3.47Å; D724-R754 PolarHBondContact OD1-NH2 3.04Å
725	K	98.1	Very high	96.5	Very high	157 Å²	157	55.7 Å²	55.7	68%	0.683	29%	0.286	S	S	*	.	H	α-helix	trans	-74.9	-34.6	174	-61.8	-178.5	178.3	-179	0	111.6	D723 L728 Q729 F750	D723-K725 VanDerWaalsContact C-N 3.29Å; D723-K725 PolarHBondContact O-N 2.85Å; D723-K725 VanDerWaalsContact OD1-CA 3.31Å; D723-K725 WeakPolarHBondContact OD1-CA 3.26Å; D723-K725 VanDerWaalsContact OD1-CB 3.28Å; D723-K725 WeakPolarHBondContact OD1-CB 3.17Å; D723-K725 PolarHBondContact OD1-N 2.76Å; K725-L728 WeakPolarHBondContact O-CB 3.3Å; K725-L728 PolarHBondContact O-N 2.95Å; K725-Q729 WeakPolarHBondContact O-CB 3.36Å; K725-Q729 PolarHBondContact O-N 3.25Å; K725-F750 HydrophobicContact CG-CZ 4.38Å
726	Q	98.4	Very high	96.6	Very high	90 Å²	90	59.8 Å²	59.8	42%	0.421	30%	0.301	S	S	.	.	H	α-helix	trans	-66.1	-41.3	174.1	-70.2	174.5	-29.9	0	0	111.3	L722 D723 Q729 Q730	L722-Q726 VanDerWaalsContact CA-OE1 3.24Å; L722-Q726 HydrophobicContact CB-CB 3.96Å; L722-Q726 HydrophobicContact CD2-CB 4.37Å; D723-Q726 PolarHBondContact O-N 2.75Å; D723-Q726 PolarHBondContact OD1-N 3.07Å; Q726-Q729 PolarHBondContact O-N 3.12Å; Q726-Q730 PolarHBondContact O-N 2.76Å; Q726-Q730 VanDerWaalsContact O-N 3.11Å
727	V	98.4	Very high	96.7	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-66.5	-40.8	173.1	179.2	0	0	0	0	111.3	F692 I719 L722 D723 Q729 Q730 C731 V752	F692-V727 HydrophobicContact CE1-CG1 4.39Å; F692-V727 HydrophobicContact CZ-CG1 4.05Å; I719-V727 HydrophobicContact CB-CG2 3.82Å; I719-V727 HydrophobicContact CG2-CG1 4.44Å; I719-V727 HydrophobicContact CG2-CG2 4.01Å; L722-V727 HydrophobicContact CB-CG2 3.9Å; L722-V727 HydrophobicContact CD1-CG2 4.37Å; D723-V727 WeakPolarHBondContact O-CG2 3.47Å; D723-V727 PolarHBondContact O-N 3.06Å; D723-V727 VanDerWaalsContact O-N 3.1Å; V727-Q729 VanDerWaalsContact C-N 3.34Å; V727-Q729 PolarHBondContact O-N 2.87Å; V727-Q730 PolarHBondContact O-N 2.71Å; V727-C731 PolarHBondContact O-N 2.75Å; V727-V752 HydrophobicContact CB-CG1 4.39Å; V727-V752 HydrophobicContact CB-CG2 4.09Å; V727-V752 HydrophobicContact CG1-CG1 4.03Å; V727-V752 HydrophobicContact CG1-CG2 3.98Å
728	L	98.7	Very high	97	Very high	26 Å²	26	56.8 Å²	56.8	14%	0.136	28%	0.28	C	S	.	.	H	α-helix	trans	-57.4	-46	171.8	-177.5	70.2	0	0	0	111.9	I660 L662 D724 K725 Q730 C731 M732 P747 F750	I660-L728 HydrophobicContact CD1-CD1 4.03Å; L662-L728 HydrophobicContact CD2-CD1 3.58Å; L662-L728 HydrophobicContact CG-CD1 4.16Å; D724-L728 WeakPolarHBondContact O-CB 3.29Å; D724-L728 PolarHBondContact O-N 3.39Å; K725-L728 WeakPolarHBondContact O-CB 3.3Å; K725-L728 PolarHBondContact O-N 2.95Å; L728-Q730 VanDerWaalsContact C-N 3.33Å; L728-Q730 PolarHBondContact O-N 2.83Å; L728-C731 PolarHBondContact O-N 3.17Å; L728-M732 HydrophobicContact CD1-CG 4.37Å; L728-M732 HydrophobicContact CG-CG 4.35Å; L728-M732 WeakPolarHBondContact O-CB 3.48Å; L728-M732 WeakPolarHBondContact O-CG 3.47Å; L728-M732 PolarHBondContact O-N 2.89Å; L728-P747 HydrophobicContact CD1-CG 3.92Å; L728-P747 HydrophobicContact CD2-CG 4.21Å; L728-P747 HydrophobicContact CG-CG 4.39Å; L728-F750 HydrophobicContact CB-CD2 4.13Å; L728-F750 HydrophobicContact CB-CE2 3.97Å; L728-F750 HydrophobicContact CB-CZ 4.42Å; L728-F750 HydrophobicContact CD1-CB 3.87Å; L728-F750 HydrophobicContact CD1-CD1 4.31Å; L728-F750 HydrophobicContact CD1-CD2 3.83Å; L728-F750 HydrophobicContact CD1-CE2 4.45Å; L728-F750 HydrophobicContact CD1-CG 3.75Å; L728-F750 HydrophobicContact CD2-CD1 3.72Å; L728-F750 HydrophobicContact CD2-CD2 4.16Å; L728-F750 HydrophobicContact CD2-CE1 3.69Å; L728-F750 HydrophobicContact CD2-CE2 4.11Å; L728-F750 HydrophobicContact CD2-CG 3.97Å; L728-F750 HydrophobicContact CD2-CZ 3.9Å; L728-F750 HydrophobicContact CG-CD2 4.27Å; L728-F750 HydrophobicContact CG-CE2 4.42Å; L728-F750 HydrophobicContact CG-CG 4.35Å
729	Q	98.5	Very high	97.4	Very high	106 Å²	106	53.1 Å²	53.1	50%	0.495	26%	0.257	S	S	.	.	H	α-helix	trans	-62.6	-39.3	-179.8	-178.6	57.7	77	0	0	111.9	K725 Q726 V727 T733	K725-Q729 WeakPolarHBondContact O-CB 3.36Å; K725-Q729 PolarHBondContact O-N 3.25Å; Q726-Q729 PolarHBondContact O-N 3.12Å; V727-Q729 VanDerWaalsContact C-N 3.34Å; V727-Q729 PolarHBondContact O-N 2.87Å; Q729-T733 PolarHBondContact NE2-OG1 2.81Å; Q729-T733 PolarHBondContact O-N 3.01Å; Q729-T733 PolarHBondContact O-OG1 3.47Å
730	Q	98.2	Very high	97.6	Very high	67 Å²	67	58.4 Å²	58.4	31%	0.313	28%	0.28	S	S	.	.	H	α-helix	trans	-64	-45.4	173.7	-71.4	-180	-13.7	0	0	111.8	F692 Q726 V727 L728 M732 T733 V734	F692-Q730 HydrophobicContact CE2-CB 4.1Å; Q726-Q730 PolarHBondContact O-N 2.76Å; Q726-Q730 VanDerWaalsContact O-N 3.11Å; V727-Q730 PolarHBondContact O-N 2.71Å; L728-Q730 VanDerWaalsContact C-N 3.33Å; L728-Q730 PolarHBondContact O-N 2.83Å; Q730-M732 PolarHBondContact O-N 2.98Å; Q730-T733 PolarHBondContact O-N 3.04Å; Q730-V734 PolarHBondContact O-N 2.61Å
731	C	98.6	Very high	97.9	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.6	-41.1	177.6	-168.5	0	0	0	0	112.3	I660 F692 V727 L728 V734 L735	I660-C731 HydrophobicContact CD1-CB 3.71Å; F692-C731 HydrophobicContact CD1-CB 4.28Å; F692-C731 HydrophobicContact CD2-CB 4.22Å; F692-C731 HydrophobicContact CE1-CB 3.88Å; F692-C731 HydrophobicContact CE2-CB 3.83Å; F692-C731 HydrophobicContact CG-CB 4.44Å; F692-C731 HydrophobicContact CZ-CB 3.64Å; V727-C731 PolarHBondContact O-N 2.75Å; L728-C731 PolarHBondContact O-N 3.17Å; C731-V734 PolarHBondContact O-N 3.09Å; C731-L735 PolarHBondContact O-N 3.07Å
732	M	98.8	Very high	98.2	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.02	26%	0.259	C	S	.	.	H	α-helix	trans	-69.3	-30.7	176.3	-73.1	-56.4	-56.4	0	0	113.3	L662 F664 L728 Q730 L735 R736 V744 P745 P747	L662-M732 HydrophobicContact CD2-CG 4.35Å; L662-M732 HydrophobicContact CD2-SD 3.76Å; F664-M732 HydrophobicContact CE1-CE 4.04Å; F664-M732 HydrophobicContact CE1-SD 3.77Å; F664-M732 HydrophobicContact CZ-SD 4.06Å; L728-M732 HydrophobicContact CD1-CG 4.37Å; L728-M732 HydrophobicContact CG-CG 4.35Å; L728-M732 WeakPolarHBondContact O-CB 3.48Å; L728-M732 WeakPolarHBondContact O-CG 3.47Å; L728-M732 PolarHBondContact O-N 2.89Å; Q730-M732 PolarHBondContact O-N 2.98Å; M732-L735 HydrophobicContact SD-CD1 4.17Å; M732-R736 WeakPolarHBondContact O-CB 3.42Å; M732-R736 WeakPolarHBondContact O-CD 3.27Å; M732-R736 VanDerWaalsContact O-CG 3.26Å; M732-R736 WeakPolarHBondContact O-CG 3.34Å; M732-R736 PolarHBondContact O-N 3.44Å; M732-R736 VanDerWaalsContact O-N 3.11Å; M732-V744 HydrophobicContact CE-CG1 3.93Å; M732-P745 WeakPolarHBondContact CE-O 3.46Å; M732-P747 HydrophobicContact CG-CG 4.2Å; M732-P747 HydrophobicContact SD-CG 3.88Å
733	T	98.4	Very high	98.2	Very high	68 Å²	68	60.5 Å²	60.5	42%	0.417	29%	0.286	S	S	.	.	H	α-helix	trans	-64.5	-50	169.2	-63	0	0	0	0	110.4	Q729 Q730 L735 R736 E737	Q729-T733 PolarHBondContact NE2-OG1 2.81Å; Q729-T733 PolarHBondContact O-N 3.01Å; Q729-T733 PolarHBondContact O-OG1 3.47Å; Q730-T733 PolarHBondContact O-N 3.04Å; T733-L735 PolarHBondContact O-N 3.1Å; T733-R736 PolarHBondContact O-N 3.27Å; T733-R736 VanDerWaalsContact O-N 3.1Å; T733-E737 PolarHBondContact O-N 3.31Å
734	V	98.4	Very high	98.3	Very high	15 Å²	15	57.1 Å²	57.1	9%	0.091	27%	0.268	C	S	.	.	H	α-helix	trans	-56.6	-49.8	177.1	170.5	0	0	0	0	111.2	F692 F695 Q730 C731 R736 E737 L738	F692-V734 HydrophobicContact CD2-CG2 4.21Å; F695-V734 HydrophobicContact CE2-CG1 4.1Å; F695-V734 HydrophobicContact CZ-CG1 4.21Å; Q730-V734 PolarHBondContact O-N 2.61Å; C731-V734 PolarHBondContact O-N 3.09Å; V734-R736 VanDerWaalsContact C-N 3.26Å; V734-R736 PolarHBondContact O-N 2.68Å; V734-E737 PolarHBondContact O-N 3.13Å; V734-L738 HydrophobicContact CG1-CD1 3.81Å; V734-L738 HydrophobicContact CG1-CG 4.11Å; V734-L738 WeakPolarHBondContact O-CG 3.37Å; V734-L738 PolarHBondContact O-N 3.17Å
735	L	98.8	Very high	98.3	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58.5	-35.9	177.3	-75.7	173	0	0	0	113.1	L662 F664 F668 F679 F695 L707 C731 M732 T733 E737 L738 F739 V744	L662-L735 HydrophobicContact CD2-CD1 4.39Å; F664-L735 HydrophobicContact CZ-CD1 3.82Å; F668-L735 HydrophobicContact CZ-CD1 4.4Å; F668-L735 HydrophobicContact CZ-CD2 4.28Å; F679-L735 HydrophobicContact CZ-CD2 4.32Å; F695-L735 HydrophobicContact CD1-CD2 3.85Å; F695-L735 HydrophobicContact CD1-CG 4.48Å; F695-L735 HydrophobicContact CE1-CD1 3.98Å; F695-L735 HydrophobicContact CE1-CD2 3.53Å; F695-L735 HydrophobicContact CE1-CG 3.7Å; F695-L735 HydrophobicContact CE2-CD2 4.27Å; F695-L735 HydrophobicContact CG-CD2 4.36Å; F695-L735 HydrophobicContact CZ-CD2 3.75Å; F695-L735 HydrophobicContact CZ-CG 3.85Å; L707-L735 HydrophobicContact CD1-CD1 4.41Å; L707-L735 HydrophobicContact CD1-CD2 4.08Å; C731-L735 PolarHBondContact O-N 3.07Å; M732-L735 HydrophobicContact SD-CD1 4.17Å; T733-L735 PolarHBondContact O-N 3.1Å; L735-E737 VanDerWaalsContact C-N 3.33Å; L735-L738 PolarHBondContact O-N 2.88Å; L735-F739 HydrophobicContact CD2-CE2 4.41Å; L735-F739 WeakPolarHBondContact O-CD2 3.47Å; L735-F739 PolarHBondContact O-N 2.89Å; L735-V744 HydrophobicContact CB-CG1 4.33Å
736	R	98.7	Very high	98.3	Very high	87 Å²	87	52.8 Å²	52.8	33%	0.328	25%	0.254	S	S	.	.	H	α-helix	trans	-72.4	-22.7	175.6	-75.9	170.2	175.4	151.5	6.5	113.6	M732 T733 V734 K740 V744 D746	M732-R736 WeakPolarHBondContact O-CB 3.42Å; M732-R736 WeakPolarHBondContact O-CD 3.27Å; M732-R736 VanDerWaalsContact O-CG 3.26Å; M732-R736 WeakPolarHBondContact O-CG 3.34Å; M732-R736 PolarHBondContact O-N 3.44Å; M732-R736 VanDerWaalsContact O-N 3.11Å; T733-R736 PolarHBondContact O-N 3.27Å; T733-R736 VanDerWaalsContact O-N 3.1Å; V734-R736 VanDerWaalsContact C-N 3.26Å; V734-R736 PolarHBondContact O-N 2.68Å; R736-K740 WeakPolarHBondContact O-CA 3.46Å; R736-K740 WeakPolarHBondContact O-CD 3.24Å; R736-K740 PolarHBondContact O-N 2.87Å; R736-V744 HydrophobicContact CG-CB 3.92Å; R736-V744 HydrophobicContact CG-CG2 4.28Å; R736-V744 PolarHBondContact NH2-O 3.12Å; R736-D746 IonicContact CZ-OD1 2.69Å; R736-D746 IonicContact NH1-OD1 2.68Å; R736-D746 IonicContact NH2-OD1 2.69Å; R736-D746 PolarHBondContact NH2-OD1 3.31Å
737	E	98.4	Very high	98.3	Very high	50 Å²	50	49.6 Å²	49.6	23%	0.234	24%	0.241	C	C	.	.	H	α-helix	trans	-84.2	-33.9	170.2	-62	-52.1	133.8	0	0	112.7	E468 G469 G470 T733 V734 L735 F739 K740	E468-E737 HydrophobicContact CB-CB 3.94Å; E468-E737 HydrophobicContact CG-CB 3.91Å; G469-E737 PolarHBondContact N-O 2.74Å; G470-E737 PolarHBondContact N-O 3.16Å; T733-E737 PolarHBondContact O-N 3.31Å; V734-E737 PolarHBondContact O-N 3.13Å; L735-E737 VanDerWaalsContact C-N 3.33Å; E737-F739 VanDerWaalsContact C-N 3.3Å; E737-F739 PolarHBondContact O-N 2.84Å; E737-K740 IonicContact OE1-NZ 2.71Å; E737-K740 PolarHBondContact OE1-NZ 3.43Å; E737-K740 WeakPolarHBondContact OE2-CD 3.39Å; E737-K740 IonicContact OE2-NZ 3.64Å; E737-K740 PolarHBondContact OE2-NZ 2.85Å
738	L	98.6	Very high	98.3	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-72.8	-19.3	177.3	-63.6	179.9	0	0	0	113.8	I466 G470 K672 F679 H681 F695 V734 L735	I466-L738 HydrophobicContact CB-CD2 4.02Å; I466-L738 HydrophobicContact CG2-CB 4.07Å; I466-L738 HydrophobicContact CG2-CD2 3.82Å; I466-L738 WeakPolarHBondContact CG2-O 3.08Å; I466-L738 WeakPolarHBondContact O-CD2 3.44Å; G470-L738 WeakPolarHBondContact CA-O 3.46Å; K672-L738 VanDerWaalsContact CE-O 3.29Å; K672-L738 WeakPolarHBondContact CE-O 3.29Å; F679-L738 HydrophobicContact CE2-CD1 4.12Å; H681-L738 HydrophobicContact CB-CD1 4.07Å; H681-L738 HydrophobicContact CB-CD2 4.46Å; F695-L738 HydrophobicContact CD2-CD1 4.22Å; F695-L738 HydrophobicContact CE2-CD1 3.86Å; V734-L738 HydrophobicContact CG1-CD1 3.81Å; V734-L738 HydrophobicContact CG1-CG 4.11Å; V734-L738 WeakPolarHBondContact O-CG 3.37Å; V734-L738 PolarHBondContact O-N 3.17Å; L735-L738 PolarHBondContact O-N 2.88Å
739	F	98.5	Very high	98.3	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.4	36	178.8	-66.6	-96.7	0	0	0	111.3	F668 W669 K672 I673 F679 L735 E737 E741 Q742 V744	F668-F739 HydrophobicContact CD2-CD1 4.27Å; F668-F739 HydrophobicContact CD2-CG 4.3Å; F668-F739 HydrophobicContact CE2-CD1 4.29Å; F668-F739 AromaticContact CE2-CD2 3.83Å; F668-F739 HydrophobicContact CE2-CD2 3.83Å; F668-F739 HydrophobicContact CE2-CE1 4.41Å; F668-F739 AromaticContact CE2-CE2 3.97Å; F668-F739 HydrophobicContact CE2-CE2 3.97Å; F668-F739 HydrophobicContact CE2-CG 4.01Å; F668-F739 HydrophobicContact CE2-CZ 4.27Å; W669-F739 HydrophobicContact CB-CE1 3.63Å; W669-F739 HydrophobicContact CB-CZ 3.59Å; K672-F739 HydrophobicContact CB-CD1 4.46Å; K672-F739 HydrophobicContact CB-CE1 3.94Å; K672-F739 HydrophobicContact CD-CD1 4.14Å; K672-F739 HydrophobicContact CD-CE1 3.8Å; K672-F739 HydrophobicContact CD-CZ 4.31Å; K672-F739 VanDerWaalsContact CE-CD1 3.41Å; K672-F739 HydrophobicContact CG-CE1 4.48Å; I673-F739 HydrophobicContact CD1-CE1 4.49Å; I673-F739 HydrophobicContact CD1-CZ 4.08Å; I673-F739 HydrophobicContact CG1-CE1 4.29Å; I673-F739 HydrophobicContact CG1-CZ 4.02Å; F679-F739 HydrophobicContact CE1-CZ 4.31Å; F679-F739 AromaticContact CE2-CE2 3.87Å; F679-F739 HydrophobicContact CE2-CE2 3.87Å; F679-F739 HydrophobicContact CE2-CZ 4.22Å; F679-F739 AromaticContact CZ-CE2 3.76Å; F679-F739 HydrophobicContact CZ-CE2 3.76Å; F679-F739 AromaticContact CZ-CZ 3.91Å; F679-F739 HydrophobicContact CZ-CZ 3.91Å; L735-F739 HydrophobicContact CD2-CE2 4.41Å; L735-F739 WeakPolarHBondContact O-CD2 3.47Å; L735-F739 PolarHBondContact O-N 2.89Å; E737-F739 VanDerWaalsContact C-N 3.3Å; E737-F739 PolarHBondContact O-N 2.84Å; F739-E741 PolarHBondContact O-N 3.11Å; F739-Q742 HydrophobicContact CB-CG 3.95Å; F739-Q742 WeakPolarHBondContact O-CG 3.41Å; F739-Q742 PolarHBondContact O-N 3.01Å; F739-V744 HydrophobicContact CB-CG2 3.75Å
740	K	97.9	Very high	98.3	Very high	114 Å²	114	54.2 Å²	54.2	50%	0.496	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-29.9	-168.4	-165.6	66.8	172.1	-144	0	115.3	R736 E737 Q742	R736-K740 WeakPolarHBondContact O-CA 3.46Å; R736-K740 WeakPolarHBondContact O-CD 3.24Å; R736-K740 PolarHBondContact O-N 2.87Å; E737-K740 IonicContact OE1-NZ 2.71Å; E737-K740 PolarHBondContact OE1-NZ 3.43Å; E737-K740 WeakPolarHBondContact OE2-CD 3.39Å; E737-K740 IonicContact OE2-NZ 3.64Å; E737-K740 PolarHBondContact OE2-NZ 2.85Å; K740-Q742 VanDerWaalsContact C-N 3.31Å
741	E	97	Very high	98.3	Very high	112 Å²	112	51.4 Å²	51.4	52%	0.523	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	0.2	-179.5	71.9	-68.1	161	0	0	115.1	G470 K672 F739	G470-E741 WeakPolarHBondContact CA-OE2 3.28Å; K672-E741 WeakPolarHBondContact CE-OE1 3.34Å; K672-E741 IonicContact NZ-OE1 2.79Å; K672-E741 PolarHBondContact NZ-OE1 2.92Å; K672-E741 IonicContact NZ-OE2 3Å; F739-E741 PolarHBondContact O-N 3.11Å
742	Q	97.1	Very high	98.3	Very high	62 Å²	62	51.9 Å²	51.9	29%	0.29	26%	0.255	S	S	.	.	S	Bend	trans	-143.2	164	179.3	55	164.2	88.9	0	0	112.3	F668 S671 F739 K740	F668-Q742 PolarHBondContact O-NE2 2.91Å; S671-Q742 PolarHBondContact OG-OE1 2.97Å; F739-Q742 HydrophobicContact CB-CG 3.95Å; F739-Q742 WeakPolarHBondContact O-CG 3.41Å; F739-Q742 PolarHBondContact O-N 3.01Å; K740-Q742 VanDerWaalsContact C-N 3.31Å
743	E	97.2	Very high	98.3	Very high	166 Å²	166	52 Å²	52	78%	0.776	26%	0.256	S	S	*	.			trans	-76.8	130.5	175.7	-66.5	-169.5	169.3	0	0	111.9
744	V	98.6	Very high	98.3	Very high	10 Å²	10	51 Å²	51	6%	0.061	25%	0.245	C	C	.	.			trans	-103.6	112.3	171.1	-178.6	0	0	0	0	108.6	F668 M732 L735 R736 F739	F668-V744 HydrophobicContact CD1-CG1 4.23Å; F668-V744 HydrophobicContact CD2-CG1 4.26Å; F668-V744 HydrophobicContact CD2-CG2 4.1Å; F668-V744 HydrophobicContact CE1-CG1 3.84Å; F668-V744 HydrophobicContact CE2-CG1 3.9Å; F668-V744 HydrophobicContact CE2-CG2 4.01Å; F668-V744 HydrophobicContact CG-CG1 4.43Å; F668-V744 HydrophobicContact CZ-CG1 3.68Å; M732-V744 HydrophobicContact CE-CG1 3.93Å; L735-V744 HydrophobicContact CB-CG1 4.33Å; R736-V744 HydrophobicContact CG-CB 3.92Å; R736-V744 HydrophobicContact CG-CG2 4.28Å; R736-V744 PolarHBondContact NH2-O 3.12Å; F739-V744 HydrophobicContact CB-CG2 3.75Å
745	P	98.5	Very high	98.3	Very high	21 Å²	21	51.1 Å²	51.1	14%	0.136	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-67.7	155	-176	30.1	-36.2	0	0	0	111.4	F664 P665 Y666 F668 M732	F664-P745 HydrophobicContact CB-CG 4.35Å; F664-P745 HydrophobicContact CD1-CG 4.23Å; F664-P745 WeakPolarHBondContact CD1-O 3.46Å; P665-P745 HydrophobicContact CG-CB 4.18Å; Y666-P745 HydrophobicContact CD1-CG 4.42Å; Y666-P745 HydrophobicContact CE1-CB 3.97Å; Y666-P745 HydrophobicContact CE1-CG 3.85Å; Y666-P745 HydrophobicContact CE2-CG 4.23Å; F668-P745 HydrophobicContact CB-CG 4.48Å; F668-P745 HydrophobicContact CD1-CG 4.06Å; M732-P745 WeakPolarHBondContact CE-O 3.46Å
746	D	98.6	Very high	98.1	Very high	110 Å²	110	53 Å²	53	59%	0.588	26%	0.257	S	S	*	.	P	Polyproline II helix	trans	-66.8	144.8	173.4	-73.5	-42.8	0	0	0	111.6	R736	R736-D746 IonicContact CZ-OD1 2.69Å; R736-D746 IonicContact NH1-OD1 2.68Å; R736-D746 IonicContact NH2-OD1 2.69Å; R736-D746 PolarHBondContact NH2-OD1 3.31Å
747	P	98.3	Very high	98	Very high	24 Å²	24	54.4 Å²	54.4	16%	0.156	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-76.1	127.5	-178.7	29.3	-32.1	0	0	0	110.8	L662 Q663 F664 L728 M732 K749	L662-P747 HydrophobicContact CB-CB 4.27Å; L662-P747 HydrophobicContact CD2-CB 4.45Å; L662-P747 HydrophobicContact CD2-CG 4.43Å; Q663-P747 CarbonylContact O-C 3.35Å; Q663-P747 WeakPolarHBondContact O-CA 3.25Å; Q663-P747 WeakPolarHBondContact O-CB 3.48Å; F664-P747 HydrophobicContact CD1-CB 4.17Å; F664-P747 HydrophobicContact CE1-CB 3.91Å; F664-P747 HydrophobicContact CZ-CB 4.41Å; L728-P747 HydrophobicContact CD1-CG 3.92Å; L728-P747 HydrophobicContact CD2-CG 4.21Å; L728-P747 HydrophobicContact CG-CG 4.39Å; M732-P747 HydrophobicContact CG-CG 4.2Å; M732-P747 HydrophobicContact SD-CG 3.88Å; P747-K749 VanDerWaalsContact C-N 3.28Å; P747-K749 PolarHBondContact O-N 2.57Å
748	V	98.3	Very high	97.9	Very high	93 Å²	93	53 Å²	53	56%	0.564	26%	0.26	S	S	*	.	S	Bend	trans	-75.4	-18.1	179.7	-60.5	0	0	0	0	113.1	Q663 P665	Q663-V748 HydrophobicContact CB-CG2 4.08Å; Q663-V748 HydrophobicContact CG-CG2 3.84Å; Q663-V748 WeakPolarHBondContact O-CG2 3.4Å; Q663-V748 PolarHBondContact O-N 3.43Å; P665-V748 HydrophobicContact CG-CG1 3.88Å
749	K	98.6	Very high	97.9	Very high	68 Å²	68	57 Å²	57	30%	0.296	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	147	179.6	177.9	171.7	-178.2	155.7	0	110	T424 F425 Q663 P747	T424-K749 PolarHBondContact O-NZ 2.78Å; T424-K749 WeakPolarHBondContact OG1-CE 3.26Å; T424-K749 PolarHBondContact OG1-NZ 3.02Å; F425-K749 HydrophobicContact CD1-CD 4.29Å; F425-K749 HydrophobicContact CE1-CD 4.24Å; F425-K749 HydrophobicContact CE1-CG 4.06Å; F425-K749 HydrophobicContact CZ-CG 4.38Å; Q663-K749 HydrophobicContact CB-CB 4.08Å; Q663-K749 PolarHBondContact N-O 2.95Å; P747-K749 VanDerWaalsContact C-N 3.28Å; P747-K749 PolarHBondContact O-N 2.57Å
750	F	98.8	Very high	97.9	Very high	67 Å²	67	60.6 Å²	60.6	29%	0.294	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	167.5	174.6	74.6	-73	0	0	0	112.3	A661 D724 K725 L728 V752	A661-F750 CarbonylContact O-C 3.6Å; A661-F750 WeakPolarHBondContact O-CA 3.35Å; A661-F750 VanDerWaalsContact O-CB 3.23Å; A661-F750 WeakPolarHBondContact O-CB 3.28Å; D724-F750 HydrophobicContact CB-CE2 4Å; D724-F750 WeakPolarHBondContact O-CE2 3.41Å; K725-F750 HydrophobicContact CG-CZ 4.38Å; L728-F750 HydrophobicContact CB-CD2 4.13Å; L728-F750 HydrophobicContact CB-CE2 3.97Å; L728-F750 HydrophobicContact CB-CZ 4.42Å; L728-F750 HydrophobicContact CD1-CB 3.87Å; L728-F750 HydrophobicContact CD1-CD1 4.31Å; L728-F750 HydrophobicContact CD1-CD2 3.83Å; L728-F750 HydrophobicContact CD1-CE2 4.45Å; L728-F750 HydrophobicContact CD1-CG 3.75Å; L728-F750 HydrophobicContact CD2-CD1 3.72Å; L728-F750 HydrophobicContact CD2-CD2 4.16Å; L728-F750 HydrophobicContact CD2-CE1 3.69Å; L728-F750 HydrophobicContact CD2-CE2 4.11Å; L728-F750 HydrophobicContact CD2-CG 3.97Å; L728-F750 HydrophobicContact CD2-CZ 3.9Å; L728-F750 HydrophobicContact CG-CD2 4.27Å; L728-F750 HydrophobicContact CG-CE2 4.42Å; L728-F750 HydrophobicContact CG-CG 4.35Å; F750-V752 HydrophobicContact CD2-CG2 4.26Å; F750-V752 HydrophobicContact CE2-CG2 4.28Å
751	F	98.8	Very high	97.8	Very high	9 Å²	9	55.7 Å²	55.7	4%	0.039	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	157.5	155.2	68.3	-114.8	0	0	0	110.6	D422 F425 V430 R432 K659 I660 A661 T753	D422-F751 HydrophobicContact CB-CD1 4.22Å; D422-F751 HydrophobicContact CB-CE1 3.88Å; F425-F751 AromaticContact CE2-CD1 3.63Å; F425-F751 HydrophobicContact CE2-CD1 3.63Å; F425-F751 AromaticContact CE2-CE1 3.71Å; F425-F751 HydrophobicContact CE2-CE1 3.71Å; F425-F751 AromaticContact CZ-CD1 3.83Å; F425-F751 HydrophobicContact CZ-CD1 3.83Å; F425-F751 HydrophobicContact CZ-CE1 4.12Å; V430-F751 HydrophobicContact CB-CE1 4.17Å; V430-F751 HydrophobicContact CG1-CE1 3.95Å; V430-F751 HydrophobicContact CG1-CZ 3.86Å; R432-F751 HydrophobicContact CB-CE2 4.32Å; R432-F751 HydrophobicContact CB-CZ 4.25Å; R432-F751 HydrophobicContact CG-CD1 4.17Å; R432-F751 HydrophobicContact CG-CD2 4.15Å; R432-F751 HydrophobicContact CG-CE1 3.71Å; R432-F751 HydrophobicContact CG-CE2 3.72Å; R432-F751 HydrophobicContact CG-CG 4.4Å; R432-F751 HydrophobicContact CG-CZ 3.48Å; R432-F751 VanDerWaalsContact CG-CZ 3.48Å; K659-F751 HydrophobicContact CB-CE2 4.38Å; I660-F751 WeakPolarHBondContact CA-O 3.26Å; I660-F751 WeakPolarHBondContact CG1-O 3.29Å; A661-F751 HydrophobicContact CB-CD1 4.04Å; A661-F751 HydrophobicContact CB-CD2 4.32Å; A661-F751 HydrophobicContact CB-CE1 3.61Å; A661-F751 HydrophobicContact CB-CE2 3.91Å; A661-F751 HydrophobicContact CB-CG 4.36Å; A661-F751 HydrophobicContact CB-CZ 3.53Å; A661-F751 PolarHBondContact N-O 3.41Å; A661-F751 PolarHBondContact O-N 3.15Å; F751-T753 HydrophobicContact CD2-CG2 4Å; F751-T753 HydrophobicContact CE2-CG2 3.76Å
752	V	98.8	Very high	97.9	Very high	9 Å²	9	52.5 Å²	52.5	6%	0.055	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	138.8	163.2	-179.7	0	0	0	0	107.2	K659 I660 D724 V727 F750	K659-V752 CarbonylContact O-C 3.58Å; K659-V752 WeakPolarHBondContact O-CA 3.5Å; I660-V752 HydrophobicContact CD1-CG2 4.12Å; I660-V752 HydrophobicContact CG1-CG2 4.01Å; D724-V752 HydrophobicContact CB-CB 4.1Å; D724-V752 HydrophobicContact CB-CG2 4Å; V727-V752 HydrophobicContact CB-CG1 4.39Å; V727-V752 HydrophobicContact CB-CG2 4.09Å; V727-V752 HydrophobicContact CG1-CG1 4.03Å; V727-V752 HydrophobicContact CG1-CG2 3.98Å; F750-V752 HydrophobicContact CD2-CG2 4.26Å; F750-V752 HydrophobicContact CE2-CG2 4.28Å
753	T	98.6	Very high	97.9	Very high	6 Å²	6	49.6 Å²	49.6	4%	0.037	25%	0.249	C	C	.	.			trans	-87.2	155.7	174.4	69.2	0	0	0	0	111.4	R432 E658 K659 F751	R432-T753 HydrophobicContact CB-CG2 3.9Å; R432-T753 HydrophobicContact CG-CG2 4.37Å; E658-T753 VanDerWaalsContact CA-OG1 3.3Å; E658-T753 WeakPolarHBondContact CA-OG1 2.98Å; E658-T753 VanDerWaalsContact CD-O 3.31Å; E658-T753 WeakPolarHBondContact OE2-CB 3.26Å; E658-T753 VanDerWaalsContact OE2-O 3.07Å; E658-T753 PolarHBondContact OE2-OG1 3.48Å; K659-T753 HydrophobicContact CB-CG2 3.98Å; K659-T753 PolarHBondContact N-OG1 3.39Å; K659-T753 PolarHBondContact O-N 3.02Å; F751-T753 HydrophobicContact CD2-CG2 4Å; F751-T753 HydrophobicContact CE2-CG2 3.76Å
754	R	97.9	Very high	98	Very high	48 Å²	48	42.3 Å²	42.3	18%	0.181	22%	0.218	C	C	.	.			trans	-136.3	44.5	178.9	-57.8	-65.3	179.1	165.9	7	110.6	E658 I719 L722 D723 D724 S756 K757 D758	E658-R754 VanDerWaalsContact OE1-CA 3.29Å; E658-R754 WeakPolarHBondContact OE1-CA 3.46Å; E658-R754 WeakPolarHBondContact OE2-CA 3.42Å; E658-R754 PolarHBondContact OE2-N 3.17Å; I719-R754 PolarHBondContact O-NH1 3.39Å; L722-R754 PolarHBondContact O-NH1 3Å; L722-R754 PolarHBondContact O-NH2 2.99Å; D723-R754 PolarHBondContact O-NH2 3.25Å; D724-R754 IonicContact OD1-CZ 3.7Å; D724-R754 IonicContact OD1-NE 2.82Å; D724-R754 PolarHBondContact OD1-NE 3.39Å; D724-R754 IonicContact OD1-NH2 3.47Å; D724-R754 PolarHBondContact OD1-NH2 3.04Å; R754-S756 PolarHBondContact O-N 3.34Å; R754-K757 HydrophobicContact CB-CB 4.35Å; R754-K757 WeakPolarHBondContact O-CA 3.19Å; R754-K757 PolarHBondContact O-N 2.85Å; R754-D758 PolarHBondContact O-N 3.01Å
755	W	98.1	Very high	98	Very high	18 Å²	18	43.4 Å²	43.4	7%	0.068	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-54.8	-34.1	177.8	-63.9	117.4	0	0	0	112.2	W420 R432 E658 K757 D758 L761 Q762	W420-W755 HydrophobicContact CB-CH2 3.82Å; W420-W755 HydrophobicContact CB-CZ2 4.34Å; W420-W755 AromaticContact CE3-CH2 3.8Å; W420-W755 HydrophobicContact CE3-CH2 3.8Å; W420-W755 HydrophobicContact CE3-CZ2 4.31Å; W420-W755 HydrophobicContact CE3-CZ3 4.28Å; R432-W755 HydrophobicContact CB-CZ2 4.17Å; R432-W755 PolarHBondContact O-NE1 2.78Å; E658-W755 VanDerWaalsContact CD-N 3.29Å; E658-W755 PolarHBondContact OE1-N 3.32Å; E658-W755 PolarHBondContact OE2-N 3.27Å; W755-K757 PolarHBondContact O-N 2.85Å; W755-D758 PolarHBondContact O-N 3.07Å; W755-L761 HydrophobicContact CE3-CD1 3.63Å; W755-L761 HydrophobicContact CH2-CD1 4.48Å; W755-L761 HydrophobicContact CZ3-CD1 3.33Å; W755-Q762 CarbonylContact O-C 3.52Å; W755-Q762 VanDerWaalsContact O-CA 3.24Å; W755-Q762 WeakPolarHBondContact O-CA 3.5Å; W755-Q762 PolarHBondContact O-N 3.23Å
756	S	95.6	Very high	98	Very high	40 Å²	40	42.4 Å²	42.4	28%	0.28	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-57.9	-22.5	171.1	55.6	0	0	0	0	115.1	E658 R754	E658-S756 VanDerWaalsContact OE1-CB 3.23Å; E658-S756 WeakPolarHBondContact OE1-CB 3.2Å; E658-S756 PolarHBondContact OE1-N 2.84Å; E658-S756 PolarHBondContact OE1-OG 3.4Å; R754-S756 PolarHBondContact O-N 3.34Å
757	K	95.8	Very high	98	Very high	115 Å²	115	37.9 Å²	37.9	50%	0.5	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-111.2	-6.7	-179.3	-61.1	-177.1	-178	176.4	0	113.4	K720 R754 W755 P759	K720-K757 WeakPolarHBondContact O-CE 3.48Å; K720-K757 PolarHBondContact O-NZ 3.28Å; R754-K757 HydrophobicContact CB-CB 4.35Å; R754-K757 WeakPolarHBondContact O-CA 3.19Å; R754-K757 PolarHBondContact O-N 2.85Å; W755-K757 PolarHBondContact O-N 2.85Å; K757-P759 WeakPolarHBondContact O-CD 3.5Å
758	D	97.4	Very high	98.1	Very high	22 Å²	22	36.8 Å²	36.8	12%	0.118	18%	0.183	C	C	.	.			trans	-68.8	114	179	-175.6	-46.4	0	0	0	109.9	K412 R754 W755 W760 L761 Q762	K412-D758 WeakPolarHBondContact CE-OD1 3.32Å; K412-D758 WeakPolarHBondContact CE-OD2 3.26Å; K412-D758 IonicContact NZ-OD1 2.64Å; K412-D758 PolarHBondContact NZ-OD1 3.46Å; K412-D758 IonicContact NZ-OD2 2.71Å; K412-D758 PolarHBondContact NZ-OD2 3.44Å; R754-D758 PolarHBondContact O-N 3.01Å; W755-D758 PolarHBondContact O-N 3.07Å; D758-W760 PolarHBondContact O-N 3.2Å; D758-W760 VanDerWaalsContact O-N 3.1Å; D758-W760 PolarHBondContact OD1-N 3.28Å; D758-L761 HydrophobicContact CB-CB 4.17Å; D758-L761 PolarHBondContact O-N 3.27Å; D758-L761 VanDerWaalsContact O-N 3.1Å; D758-L761 PolarHBondContact OD1-N 3.45Å; D758-Q762 WeakPolarHBondContact O-CG 3.36Å; D758-Q762 PolarHBondContact O-N 3.08Å
759	P	97.4	Very high	98.1	Very high	82 Å²	82	35.9 Å²	35.9	53%	0.532	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.7	-168.8	26.3	-35.7	0	0	0	113.8	K757 Q762	K757-P759 WeakPolarHBondContact O-CD 3.5Å; P759-Q762 PolarHBondContact O-NE2 2.9Å
760	W	98.1	Very high	98.1	Very high	77 Å²	77	35 Å²	35	29%	0.292	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	2.6	-178.2	-58	127.1	0	0	0	113.3	A411 K412 P595 L629 T634 D758	A411-W760 HydrophobicContact CB-CB 4.22Å; A411-W760 HydrophobicContact CB-CD2 3.6Å; A411-W760 HydrophobicContact CB-CE3 4.04Å; A411-W760 HydrophobicContact CB-CG 3.67Å; A411-W760 HydrophobicContact CB-CZ2 4.5Å; A411-W760 PolarHBondContact O-NE1 3.19Å; K412-W760 HydrophobicContact CG-CB 4.4Å; P595-W760 HydrophobicContact CB-CH2 3.55Å; P595-W760 HydrophobicContact CB-CZ2 3.54Å; P595-W760 HydrophobicContact CB-CZ3 4.21Å; P595-W760 HydrophobicContact CG-CH2 4.42Å; P595-W760 HydrophobicContact CG-CZ2 4.15Å; L629-W760 HydrophobicContact CD1-CE3 4.23Å; L629-W760 WeakPolarHBondContact CD1-O 3.15Å; T634-W760 HydrophobicContact CG2-CZ3 3.97Å; D758-W760 PolarHBondContact O-N 3.2Å; D758-W760 VanDerWaalsContact O-N 3.1Å; D758-W760 PolarHBondContact OD1-N 3.28Å
761	L	97.3	Very high	98	Very high	10 Å²	10	33.4 Å²	33.4	5%	0.052	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130	-56.6	179.5	-60.6	174.1	0	0	0	113	R418 P626 W755 D758 M763	R418-L761 HydrophobicContact CG-CD1 4.15Å; R418-L761 HydrophobicContact CG-CD2 4.16Å; P626-L761 HydrophobicContact CG-CD2 3.69Å; W755-L761 HydrophobicContact CE3-CD1 3.63Å; W755-L761 HydrophobicContact CH2-CD1 4.48Å; W755-L761 HydrophobicContact CZ3-CD1 3.33Å; D758-L761 HydrophobicContact CB-CB 4.17Å; D758-L761 PolarHBondContact O-N 3.27Å; D758-L761 VanDerWaalsContact O-N 3.1Å; D758-L761 PolarHBondContact OD1-N 3.45Å; L761-M763 WeakPolarHBondContact O-CG 3.43Å; L761-M763 PolarHBondContact O-N 3.44Å
762	Q	97.3	Very high	98	Very high	46 Å²	46	33 Å²	33	22%	0.215	17%	0.172	C	C	.	.			trans	57.7	7.9	173.6	-49	-176.9	35.7	0	0	116.7	A628 L629 K632 W755 D758 P759	A628-Q762 HydrophobicContact CB-CB 3.93Å; L629-Q762 HydrophobicContact CD2-CG 4.39Å; K632-Q762 VanDerWaalsContact CD-OE1 3.28Å; K632-Q762 VanDerWaalsContact CE-OE1 3.26Å; W755-Q762 CarbonylContact O-C 3.52Å; W755-Q762 VanDerWaalsContact O-CA 3.24Å; W755-Q762 WeakPolarHBondContact O-CA 3.5Å; W755-Q762 PolarHBondContact O-N 3.23Å; D758-Q762 WeakPolarHBondContact O-CG 3.36Å; D758-Q762 PolarHBondContact O-N 3.08Å; P759-Q762 PolarHBondContact O-NE2 2.9Å
763	M	98.6	Very high	98	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.176	C	C	.	.			trans	-157	164.6	-175.7	72	-175.9	-75.4	0	0	111.9	P626 L627 A628 A654 L761	P626-M763 HydrophobicContact CB-CG 4.11Å; P626-M763 HydrophobicContact CB-SD 3.72Å; L627-M763 HydrophobicContact CB-CE 4Å; L627-M763 HydrophobicContact CB-SD 3.77Å; A628-M763 HydrophobicContact CB-CB 4.3Å; A628-M763 HydrophobicContact CB-CG 4.36Å; A628-M763 HydrophobicContact CB-SD 4.05Å; A654-M763 HydrophobicContact CB-CB 4.05Å; A654-M763 HydrophobicContact CB-CE 4.41Å; A654-M763 HydrophobicContact CB-SD 4.28Å; L761-M763 WeakPolarHBondContact O-CG 3.43Å; L761-M763 PolarHBondContact O-N 3.44Å
764	A	98.7	Very high	97.9	Very high	14 Å²	14	33.2 Å²	33.2	12%	0.116	18%	0.175	C	C	.	.	S	Bend	trans	-96.4	-54	168.3	0	0	0	0	0	111.9	R418 G655 I657	R418-A764 WeakPolarHBondContact CD-O 3.37Å; R418-A764 PolarHBondContact NH1-O 2.69Å; G655-A764 PolarHBondContact O-N 3.08Å; I657-A764 HydrophobicContact CG1-CB 3.75Å
765	Y	98.8	Very high	98	Very high	32 Å²	32	35.5 Å²	35.5	13%	0.125	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	161.4	-177.6	35	-96.1	0	0	0	111.7	Y543 G655 I657 Q801	Y543-Y765 PolarHBondContact O-OH 2.86Å; G655-Y765 CarbonylContact C-O 3.59Å; G655-Y765 WeakPolarHBondContact CA-O 3.27Å; G655-Y765 PolarHBondContact N-O 3.31Å; G655-Y765 PolarHBondContact O-N 2.64Å; G655-Y765 VanDerWaalsContact O-N 3.16Å; G655-Y765 VanDerWaalsContact O-O 3.13Å; I657-Y765 HydrophobicContact CD1-CE1 3.89Å; I657-Y765 WeakPolarHBondContact CD1-OH 3.17Å; I657-Y765 HydrophobicContact CG1-CE1 3.97Å; Y765-Q801 HydrophobicContact CD2-CB 4.26Å; Y765-Q801 HydrophobicContact CD2-CG 4.06Å; Y765-Q801 HydrophobicContact CG-CB 4.09Å; Y765-Q801 HydrophobicContact CG-CG 4.32Å
766	S	98.9	Very high	98	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	159.5	-177.9	63.5	0	0	0	0	114.4	G653 Y777 E793 Q801	G653-S766 VanDerWaalsContact O-CA 3.27Å; G653-S766 WeakPolarHBondContact O-CA 3.17Å; S766-Y777 WeakPolarHBondContact OG-CE1 3.46Å; S766-Y777 PolarHBondContact OG-OH 3.46Å; S766-E793 PolarHBondContact N-OE2 3.43Å; S766-E793 PolarHBondContact OG-OE2 2.97Å; S766-Q801 VanDerWaalsContact O-CG 3.29Å; S766-Q801 WeakPolarHBondContact O-CG 3.47Å; S766-Q801 PolarHBondContact O-NE2 2.91Å
767	F	98.9	Very high	98.2	Very high	16 Å²	16	33 Å²	33	7%	0.07	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	170.1	165.7	68.9	-86	0	0	0	110.1	C545 S547 Q551 V552 L652 G653 K769	C545-F767 WeakPolarHBondContact O-CB 3.24Å; C545-F767 WeakPolarHBondContact O-CD1 3.47Å; S547-F767 VanDerWaalsContact CB-CE1 3.44Å; S547-F767 VanDerWaalsContact OG-CZ 3.31Å; S547-F767 WeakPolarHBondContact OG-CZ 3.38Å; Q551-F767 HydrophobicContact CB-CE2 4.15Å; Q551-F767 HydrophobicContact CB-CZ 4.11Å; V552-F767 HydrophobicContact CB-CD2 4.37Å; V552-F767 HydrophobicContact CG1-CD2 4.4Å; V552-F767 HydrophobicContact CG2-CD2 3.86Å; V552-F767 HydrophobicContact CG2-CE2 3.97Å; L652-F767 CarbonylContact C-O 3.54Å; L652-F767 WeakPolarHBondContact CA-O 3.45Å; G653-F767 PolarHBondContact N-O 3.22Å; G653-F767 PolarHBondContact O-N 3.07Å; G653-F767 VanDerWaalsContact O-N 3.1Å; F767-K769 HydrophobicContact CE2-CB 4.45Å; F767-K769 HydrophobicContact CE2-CG 3.73Å; F767-K769 HydrophobicContact CZ-CG 4.02Å
768	V	98.9	Very high	98.3	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	117.8	173.9	-176.9	0	0	0	0	109.9	S553 H559 L652 Y777	S553-V768 PolarHBondContact N-O 3.26Å; H559-V768 WeakPolarHBondContact CD2-CG2 3.48Å; L652-V768 HydrophobicContact CD2-CB 4.46Å; L652-V768 HydrophobicContact CD2-CG2 3.84Å; V768-Y777 HydrophobicContact CG2-CE2 4.01Å
769	K	98.8	Very high	98.4	Very high	73 Å²	73	31 Å²	31	32%	0.317	17%	0.167	S	C	.	.	B	Isolated β-bridge	trans	-71.9	158.1	175.3	-68.3	159.2	57.4	-173.2	0	110.9	Q551 N650 S651 L652 F767 G771 G772	Q551-K769 VanDerWaalsContact O-CA 3.24Å; Q551-K769 WeakPolarHBondContact O-CA 3.23Å; N650-K769 PolarHBondContact O-NZ 3.17Å; S651-K769 WeakPolarHBondContact O-CB 3.38Å; S651-K769 PolarHBondContact O-N 2.66Å; L652-K769 VanDerWaalsContact O-CD 3.26Å; L652-K769 WeakPolarHBondContact O-CD 3.17Å; F767-K769 HydrophobicContact CE2-CB 4.45Å; F767-K769 HydrophobicContact CE2-CG 3.73Å; F767-K769 HydrophobicContact CZ-CG 4.02Å; K769-G771 PolarHBondContact O-N 2.96Å; K769-G772 WeakPolarHBondContact O-CA 3.4Å; K769-G772 PolarHBondContact O-N 2.7Å
770	T	98.8	Very high	98.5	Very high	50 Å²	50	27.1 Å²	27.1	31%	0.307	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	129.6	169.4	-49	0	0	0	0	111.7	D504 V505 P506 Q551 V552	D504-T770 HydrophobicContact CB-CG2 4.3Å; D504-T770 WeakPolarHBondContact OD2-CA 3.42Å; V505-T770 VanDerWaalsContact C-CG2 3.43Å; P506-T770 HydrophobicContact CG-CG2 4.32Å; Q551-T770 PolarHBondContact O-N 3.3Å; Q551-T770 PolarHBondContact O-OG1 2.84Å; V552-T770 PolarHBondContact O-OG1 2.78Å
771	G	97.4	Very high	98.5	Very high	33 Å²	33	23.9 Å²	23.9	34%	0.34	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	-7.7	-172.6	0	0	0	0	0	114.9	D504 K769	D504-G771 PolarHBondContact OD2-N 3.48Å; K769-G771 PolarHBondContact O-N 2.96Å
772	G	97.7	Very high	98.6	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.01	15%	0.145	C	C	.	.			trans	-79.4	-170.8	-177.3	0	0	0	0	0	115.6	Q501 K769	Q501-G772 PolarHBondContact NE2-O 2.87Å; K769-G772 WeakPolarHBondContact O-CA 3.4Å; K769-G772 PolarHBondContact O-N 2.7Å
773	S	98.3	Very high	98.6	Very high	18 Å²	18	27.5 Å²	27.5	13%	0.126	15%	0.15	C	C	.	.			trans	-157.4	151.4	174.1	170.8	0	0	0	0	109.1	Q501 E775 A776	Q501-S773 VanDerWaalsContact NE2-CB 3.31Å; S773-E775 PolarHBondContact O-N 3.05Å; S773-E775 WeakPolarHBondContact OG-CB 3.37Å; S773-E775 WeakPolarHBondContact OG-CG 3.32Å; S773-E775 PolarHBondContact OG-N 3.2Å; S773-E775 PolarHBondContact OG-OE2 3.32Å; S773-A776 WeakPolarHBondContact O-CB 3.31Å; S773-A776 PolarHBondContact O-N 3.29Å; S773-A776 VanDerWaalsContact O-N 3.09Å
774	G	98.3	Very high	98.6	Very high	2 Å²	2	28.7 Å²	28.7	2%	0.021	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.4	170.6	0	0	0	0	0	113.7	H559 A776 Y777 R797	H559-G774 WeakPolarHBondContact ND1-CA 3.43Å; G774-A776 PolarHBondContact O-N 3.36Å; G774-A776 VanDerWaalsContact O-N 3.16Å; G774-Y777 WeakPolarHBondContact O-CD2 3.37Å; G774-Y777 PolarHBondContact O-N 3.28Å; G774-Y777 VanDerWaalsContact O-N 3.16Å; G774-R797 VanDerWaalsContact O-CD 3.28Å; G774-R797 WeakPolarHBondContact O-CD 3.3Å; G774-R797 WeakPolarHBondContact O-CG 3.49Å
775	E	98.6	Very high	98.5	Very high	95 Å²	95	35 Å²	35	44%	0.444	18%	0.183	S	C	.	.	H	α-helix	trans	-59.2	-22.8	173.7	-67.7	156.1	160.1	0	0	113.1	S773 Y777 D778 I779	S773-E775 PolarHBondContact O-N 3.05Å; S773-E775 WeakPolarHBondContact OG-CB 3.37Å; S773-E775 WeakPolarHBondContact OG-CG 3.32Å; S773-E775 PolarHBondContact OG-N 3.2Å; S773-E775 PolarHBondContact OG-OE2 3.32Å; E775-Y777 PolarHBondContact O-N 3.03Å; E775-D778 PolarHBondContact O-N 3.32Å; E775-D778 VanDerWaalsContact O-N 3.12Å; E775-I779 WeakPolarHBondContact O-CG1 3.35Å; E775-I779 PolarHBondContact O-N 3.25Å
776	A	98.8	Very high	98.5	Very high	3 Å²	3	33.8 Å²	33.8	3%	0.025	18%	0.18	C	C	.	.	H	α-helix	trans	-59.3	-35.3	176.3	0	0	0	0	0	112.2	A648 S651 L652 S773 G774 D778 I779 I780	A648-A776 HydrophobicContact CB-CB 4.03Å; S651-A776 WeakPolarHBondContact OG-CB 3.48Å; L652-A776 HydrophobicContact CD1-CB 4.39Å; L652-A776 HydrophobicContact CD2-CB 3.88Å; L652-A776 HydrophobicContact CG-CB 3.87Å; S773-A776 WeakPolarHBondContact O-CB 3.31Å; S773-A776 PolarHBondContact O-N 3.29Å; S773-A776 VanDerWaalsContact O-N 3.09Å; G774-A776 PolarHBondContact O-N 3.36Å; G774-A776 VanDerWaalsContact O-N 3.16Å; A776-D778 PolarHBondContact O-N 3.18Å; A776-I779 PolarHBondContact O-N 2.98Å; A776-I780 WeakPolarHBondContact O-CD1 2.98Å; A776-I780 WeakPolarHBondContact O-CG1 3.36Å; A776-I780 PolarHBondContact O-N 3.27Å
777	Y	98.9	Very high	98.4	Very high	2 Å²	2	35 Å²	35	1%	0.008	19%	0.188	C	C	.	.	H	α-helix	trans	-63.1	-41	175.5	-70.5	-98.3	0	0	0	111.8	H559 L652 S766 V768 G774 E775 I780 A781 A794 P800	H559-Y777 AromaticContact CE1-CD2 3.76Å; H559-Y777 AromaticContact CE1-CE2 3.56Å; H559-Y777 AromaticContact NE2-CD2 3.83Å; H559-Y777 AromaticContact NE2-CE2 3.16Å; H559-Y777 WeakPolarHBondContact NE2-CE2 3.22Å; H559-Y777 AromaticContact NE2-CZ 3.83Å; L652-Y777 HydrophobicContact CD1-CD1 4.04Å; L652-Y777 HydrophobicContact CD1-CD2 3.9Å; L652-Y777 HydrophobicContact CD1-CE1 3.95Å; L652-Y777 HydrophobicContact CD1-CE2 3.8Å; L652-Y777 HydrophobicContact CD1-CG 4.02Å; L652-Y777 HydrophobicContact CD2-CD2 3.91Å; L652-Y777 HydrophobicContact CD2-CE2 3.45Å; L652-Y777 VanDerWaalsContact CD2-CE2 3.45Å; L652-Y777 HydrophobicContact CG-CE2 4.3Å; S766-Y777 WeakPolarHBondContact OG-CE1 3.46Å; S766-Y777 PolarHBondContact OG-OH 3.46Å; V768-Y777 HydrophobicContact CG2-CE2 4.01Å; G774-Y777 WeakPolarHBondContact O-CD2 3.37Å; G774-Y777 PolarHBondContact O-N 3.28Å; G774-Y777 VanDerWaalsContact O-N 3.16Å; E775-Y777 PolarHBondContact O-N 3.03Å; Y777-I780 PolarHBondContact O-N 3.11Å; Y777-A781 WeakPolarHBondContact O-CB 3.22Å; Y777-A781 PolarHBondContact O-N 3.28Å; Y777-A794 VanDerWaalsContact CD1-C 3.46Å; Y777-P800 HydrophobicContact CD1-CB 4.34Å; Y777-P800 HydrophobicContact CE1-CB 3.5Å; Y777-P800 VanDerWaalsContact CE1-CB 3.5Å
778	D	98.9	Very high	98.4	Very high	61 Å²	61	34.3 Å²	34.3	33%	0.326	18%	0.184	S	C	.	.	H	α-helix	trans	-68.3	-43	178	-56.3	-30.8	0	0	0	110.7	E775 A776 I780 A781 E782 R797	E775-D778 PolarHBondContact O-N 3.32Å; E775-D778 VanDerWaalsContact O-N 3.12Å; A776-D778 PolarHBondContact O-N 3.18Å; D778-I780 VanDerWaalsContact C-N 3.28Å; D778-I780 PolarHBondContact O-N 3.14Å; D778-A781 CarbonylContact O-C 3.5Å; D778-A781 WeakPolarHBondContact O-CA 2.9Å; D778-A781 WeakPolarHBondContact O-CB 3.42Å; D778-A781 PolarHBondContact O-N 3.22Å; D778-E782 PolarHBondContact O-N 3.47Å; D778-R797 VanDerWaalsContact CG-CD 3.5Å; D778-R797 WeakPolarHBondContact OD1-CB 3.37Å; D778-R797 WeakPolarHBondContact OD1-CD 3.32Å; D778-R797 WeakPolarHBondContact OD2-CD 3.35Å; D778-R797 IonicContact OD2-CZ 3.12Å; D778-R797 IonicContact OD2-NE 2.83Å; D778-R797 IonicContact OD2-NH1 2.75Å; D778-R797 PolarHBondContact OD2-NH1 2.98Å
779	I	98.9	Very high	98.4	Very high	35 Å²	35	34.2 Å²	34.2	18%	0.179	18%	0.184	C	C	.	.	H	α-helix	trans	-65	-32.3	177.6	-63.7	170.5	0	0	0	111.5	K644 K645 A648 E775 A776	K644-I779 HydrophobicContact CD-CG2 4.21Å; K644-I779 HydrophobicContact CG-CG2 3.9Å; K645-I779 VanDerWaalsContact CE-O 3.28Å; K645-I779 WeakPolarHBondContact CE-O 3.27Å; A648-I779 HydrophobicContact CB-CB 3.78Å; A648-I779 HydrophobicContact CB-CG2 3.54Å; E775-I779 WeakPolarHBondContact O-CG1 3.35Å; E775-I779 PolarHBondContact O-N 3.25Å; A776-I779 PolarHBondContact O-N 2.98Å
780	I	98.9	Very high	98.4	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-71.5	-35.1	171.2	-62.8	161	0	0	0	110.1	L627 K645 A648 I649 L652 A776 Y777 D778 F790 T795	L627-I780 HydrophobicContact CD1-CD1 4.22Å; K645-I780 PolarHBondContact NZ-O 2.8Å; A648-I780 HydrophobicContact CB-CG1 4.09Å; I649-I780 HydrophobicContact CG1-CD1 4.27Å; I649-I780 HydrophobicContact CG1-CG1 3.94Å; L652-I780 HydrophobicContact CD1-CD1 3.64Å; L652-I780 HydrophobicContact CG-CD1 4.34Å; A776-I780 WeakPolarHBondContact O-CD1 2.98Å; A776-I780 WeakPolarHBondContact O-CG1 3.36Å; A776-I780 PolarHBondContact O-N 3.27Å; Y777-I780 PolarHBondContact O-N 3.11Å; D778-I780 VanDerWaalsContact C-N 3.28Å; D778-I780 PolarHBondContact O-N 3.14Å; I780-F790 WeakPolarHBondContact O-CB 3.17Å; I780-F790 WeakPolarHBondContact O-CG 3.1Å; I780-T795 HydrophobicContact CG2-CG2 3.8Å
781	A	98.8	Very high	98.4	Very high	8 Å²	8	28.7 Å²	28.7	7%	0.066	16%	0.157	C	C	.	.	H	α-helix	trans	-76.6	-10.4	176.1	0	0	0	0	0	115.9	Y777 D778 D783 K816	Y777-A781 WeakPolarHBondContact O-CB 3.22Å; Y777-A781 PolarHBondContact O-N 3.28Å; D778-A781 CarbonylContact O-C 3.5Å; D778-A781 WeakPolarHBondContact O-CA 2.9Å; D778-A781 WeakPolarHBondContact O-CB 3.42Å; D778-A781 PolarHBondContact O-N 3.22Å; A781-D783 PolarHBondContact O-N 3.33Å; A781-K816 PolarHBondContact O-NZ 3.37Å
782	E	98.8	Very high	98.5	Very high	74 Å²	74	27.5 Å²	27.5	35%	0.346	14%	0.144	S	C	.	.			trans	-58.7	128.1	171.3	-76	169.9	-169.7	0	0	109.8	K644 K645 D778 F790	K644-E782 IonicContact NZ-OE1 3.41Å; K644-E782 PolarHBondContact NZ-OE1 3.14Å; K644-E782 IonicContact NZ-OE2 3.71Å; K644-E782 PolarHBondContact NZ-OE2 2.9Å; K645-E782 PolarHBondContact NZ-O 3.19Å; D778-E782 PolarHBondContact O-N 3.47Å; E782-F790 WeakPolarHBondContact O-CD2 3.45Å
783	D	98.6	Very high	98.5	Very high	59 Å²	59	27.7 Å²	27.7	32%	0.316	15%	0.145	S	C	.	.			trans	-74.4	166.6	170.7	65.9	-88.4	0	0	0	111	A781 G786 I788 F789	A781-D783 PolarHBondContact O-N 3.33Å; D783-G786 VanDerWaalsContact OD2-CA 3.31Å; D783-G786 WeakPolarHBondContact OD2-CA 3.39Å; D783-G786 PolarHBondContact OD2-N 3.2Å; D783-I788 CarbonylContact C-O 3.53Å; D783-I788 WeakPolarHBondContact CA-O 3.39Å; D783-I788 WeakPolarHBondContact CB-O 3.33Å; D783-F789 HydrophobicContact CB-CD1 3.65Å; D783-F789 HydrophobicContact CB-CE1 3.74Å; D783-F789 HydrophobicContact CB-CG 4.35Å; D783-F789 HydrophobicContact CB-CZ 4.49Å
784	I	98.4	Very high	98.6	Very high	25 Å²	25	27.1 Å²	27.1	13%	0.128	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-114.9	112.3	174.6	-55.7	173.2	0	0	0	107.4	Y601 L641 G786 T787 I788 F790	Y601-I784 HydrophobicContact CD2-CG2 4.47Å; Y601-I784 HydrophobicContact CE2-CG2 3.56Å; L641-I784 HydrophobicContact CD2-CD1 3.61Å; I784-G786 PolarHBondContact O-N 3.06Å; I784-G786 VanDerWaalsContact O-N 3.17Å; I784-T787 PolarHBondContact O-N 3Å; I784-I788 HydrophobicContact CB-CB 4.22Å; I784-I788 PolarHBondContact N-O 3.37Å; I784-I788 PolarHBondContact O-N 3.47Å; I784-I788 VanDerWaalsContact O-N 3.07Å; I784-F790 HydrophobicContact CD1-CE2 3.9Å; I784-F790 HydrophobicContact CD1-CZ 4.11Å; I784-F790 HydrophobicContact CG1-CE2 4.1Å
785	Q	97.3	Very high	98.6	Very high	147 Å²	147	27.3 Å²	27.3	69%	0.687	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	29.5	174.6	-56.7	169.5	5.4	0	0	113.7	T787	Q785-T787 PolarHBondContact O-N 3.27Å; Q785-T787 VanDerWaalsContact O-N 3.17Å; Q785-T787 PolarHBondContact O-OG1 3.23Å; Q785-T787 VanDerWaalsContact O-OG1 3.07Å
786	G	96.9	Very high	98.6	Very high	5 Å²	5	23.4 Å²	23.4	5%	0.052	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	24.4	-173.3	0	0	0	0	0	113.7	K620 D783 I784 F789 F820	K620-G786 WeakPolarHBondContact CD-O 3.18Å; K620-G786 WeakPolarHBondContact CE-O 3.25Å; K620-G786 PolarHBondContact NZ-O 3.14Å; D783-G786 VanDerWaalsContact OD2-CA 3.31Å; D783-G786 WeakPolarHBondContact OD2-CA 3.39Å; D783-G786 PolarHBondContact OD2-N 3.2Å; I784-G786 PolarHBondContact O-N 3.06Å; I784-G786 VanDerWaalsContact O-N 3.17Å; G786-F789 VanDerWaalsContact C-CZ 3.4Å; G786-F789 WeakPolarHBondContact O-CE2 3.5Å; G786-F789 WeakPolarHBondContact O-CZ 3.25Å; G786-F820 VanDerWaalsContact CA-CZ 3.45Å
787	T	97.9	Very high	98.6	Very high	27 Å²	27	25.6 Å²	25.6	17%	0.166	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.8	-42	-167.8	-65.3	0	0	0	0	113.3	V606 K620 V621 I784 Q785	V606-T787 HydrophobicContact CG2-CG2 3.38Å; K620-T787 PolarHBondContact NZ-OG1 2.76Å; K620-T787 VanDerWaalsContact NZ-OG1 3.1Å; V621-T787 PolarHBondContact N-O 2.76Å; I784-T787 PolarHBondContact O-N 3Å; Q785-T787 PolarHBondContact O-N 3.27Å; Q785-T787 VanDerWaalsContact O-N 3.17Å; Q785-T787 PolarHBondContact O-OG1 3.23Å; Q785-T787 VanDerWaalsContact O-OG1 3.07Å
788	I	98.6	Very high	98.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	123.7	166.3	-53.3	-160.4	0	0	0	110.2	I599 Y601 V621 V623 F637 D783 I784 F790	I599-I788 HydrophobicContact CG2-CD1 3.69Å; Y601-I788 HydrophobicContact CD1-CD1 3.23Å; Y601-I788 HydrophobicContact CD1-CG1 4.11Å; Y601-I788 HydrophobicContact CD2-CD1 4.33Å; Y601-I788 HydrophobicContact CD2-CG1 4.4Å; Y601-I788 HydrophobicContact CE1-CD1 3.51Å; Y601-I788 HydrophobicContact CE1-CG1 4.49Å; Y601-I788 HydrophobicContact CG-CD1 3.66Å; Y601-I788 HydrophobicContact CG-CG1 4.02Å; V621-I788 HydrophobicContact CG1-CB 4.1Å; V621-I788 HydrophobicContact CG1-CD1 4.09Å; V621-I788 HydrophobicContact CG1-CG1 3.65Å; V621-I788 HydrophobicContact CG1-CG2 4.04Å; V621-I788 WeakPolarHBondContact O-CA 3.21Å; V623-I788 HydrophobicContact CG2-CG2 4.19Å; F637-I788 HydrophobicContact CD1-CD1 3.94Å; F637-I788 HydrophobicContact CE1-CD1 4.16Å; F637-I788 HydrophobicContact CE1-CG2 4.44Å; D783-I788 CarbonylContact C-O 3.53Å; D783-I788 WeakPolarHBondContact CA-O 3.39Å; D783-I788 WeakPolarHBondContact CB-O 3.33Å; I784-I788 HydrophobicContact CB-CB 4.22Å; I784-I788 PolarHBondContact N-O 3.37Å; I784-I788 PolarHBondContact O-N 3.47Å; I784-I788 VanDerWaalsContact O-N 3.07Å; I788-F790 HydrophobicContact CB-CE2 4.25Å; I788-F790 HydrophobicContact CG2-CD2 4.23Å; I788-F790 HydrophobicContact CG2-CE2 3.46Å; I788-F790 VanDerWaalsContact CG2-CE2 3.46Å; I788-F790 HydrophobicContact CG2-CZ 3.64Å
789	F	98.9	Very high	98.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	158.9	179.1	-62.2	-89.3	0	0	0	111.2	K620 V621 L622 V623 D783 G786 E813 K816 I817 F820	K620-F789 HydrophobicContact CB-CE2 4.38Å; K620-F789 HydrophobicContact CD-CE2 3.95Å; V621-F789 PolarHBondContact O-N 3.16Å; L622-F789 HydrophobicContact CB-CB 4.34Å; L622-F789 HydrophobicContact CD1-CB 3.73Å; V623-F789 PolarHBondContact N-O 2.65Å; D783-F789 HydrophobicContact CB-CD1 3.65Å; D783-F789 HydrophobicContact CB-CE1 3.74Å; D783-F789 HydrophobicContact CB-CG 4.35Å; D783-F789 HydrophobicContact CB-CZ 4.49Å; G786-F789 VanDerWaalsContact C-CZ 3.4Å; G786-F789 WeakPolarHBondContact O-CE2 3.5Å; G786-F789 WeakPolarHBondContact O-CZ 3.25Å; F789-E813 HydrophobicContact CB-CB 4.37Å; F789-E813 HydrophobicContact CB-CG 4.41Å; F789-K816 HydrophobicContact CD1-CB 4.17Å; F789-K816 HydrophobicContact CD1-CD 3.97Å; F789-K816 HydrophobicContact CE1-CB 3.84Å; F789-K816 HydrophobicContact CE1-CD 4.1Å; F789-I817 HydrophobicContact CB-CD1 4.09Å; F789-I817 HydrophobicContact CB-CG1 4.4Å; F789-I817 HydrophobicContact CD1-CD1 4.46Å; F789-I817 HydrophobicContact CD1-CG1 3.9Å; F789-I817 HydrophobicContact CD2-CD1 3.87Å; F789-I817 HydrophobicContact CD2-CG1 3.51Å; F789-I817 HydrophobicContact CE1-CG1 4.02Å; F789-I817 HydrophobicContact CE2-CD1 4.48Å; F789-I817 HydrophobicContact CE2-CG1 3.66Å; F789-I817 HydrophobicContact CG-CD1 3.86Å; F789-I817 HydrophobicContact CG-CG1 3.64Å; F789-I817 HydrophobicContact CZ-CG1 3.9Å; F789-F820 HydrophobicContact CE1-CD2 4.38Å; F789-F820 AromaticContact CE1-CE2 3.82Å; F789-F820 HydrophobicContact CE1-CE2 3.82Å; F789-F820 AromaticContact CZ-CD2 3.86Å; F789-F820 HydrophobicContact CZ-CD2 3.86Å; F789-F820 AromaticContact CZ-CE2 3.59Å; F789-F820 HydrophobicContact CZ-CE2 3.59Å
790	F	98.9	Very high	98.6	Very high	3 Å²	3	26 Å²	26	1%	0.013	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	121.7	-173.4	-68.3	-95.6	0	0	0	111.6	V623 F637 L641 K645 I780 E782 I784 I788 R812 E813	V623-F790 HydrophobicContact CB-CD1 4.19Å; V623-F790 HydrophobicContact CB-CE1 4.26Å; V623-F790 WeakPolarHBondContact O-CA 3.5Å; F637-F790 HydrophobicContact CE1-CZ 4.48Å; L641-F790 HydrophobicContact CD2-CZ 3.95Å; K645-F790 HydrophobicContact CD-CE1 4.37Å; K645-F790 HydrophobicContact CD-CE2 4.33Å; K645-F790 HydrophobicContact CD-CZ 4.09Å; I780-F790 WeakPolarHBondContact O-CB 3.17Å; I780-F790 WeakPolarHBondContact O-CG 3.1Å; E782-F790 WeakPolarHBondContact O-CD2 3.45Å; I784-F790 HydrophobicContact CD1-CE2 3.9Å; I784-F790 HydrophobicContact CD1-CZ 4.11Å; I784-F790 HydrophobicContact CG1-CE2 4.1Å; I788-F790 HydrophobicContact CB-CE2 4.25Å; I788-F790 HydrophobicContact CG2-CD2 4.23Å; I788-F790 HydrophobicContact CG2-CE2 3.46Å; I788-F790 VanDerWaalsContact CG2-CE2 3.46Å; I788-F790 HydrophobicContact CG2-CZ 3.64Å; F790-R812 PolarHBondContact O-NH2 3.28Å; F790-E813 PolarHBondContact N-OE2 3.13Å; F790-E813 VanDerWaalsContact O-CD 3.26Å; F790-E813 VanDerWaalsContact O-CG 3.25Å; F790-E813 WeakPolarHBondContact O-CG 3.45Å
791	A	98.9	Very high	98.6	Very high	4 Å²	4	29 Å²	29	3%	0.033	15%	0.145	C	C	.	.			trans	-131.2	174.6	174.7	0	0	0	0	0	111.5	A391 L622 V623 T624 T795 E813	A391-A791 HydrophobicContact CB-CB 4.05Å; L622-A791 HydrophobicContact CD1-CB 3.87Å; V623-A791 PolarHBondContact O-N 3.43Å; T624-A791 WeakPolarHBondContact CA-O 3.46Å; T624-A791 HydrophobicContact CG2-CB 3.99Å; A791-T795 VanDerWaalsContact C-CG2 3.49Å; A791-T795 WeakPolarHBondContact CA-OG1 3.42Å; A791-T795 WeakPolarHBondContact O-CG2 3.43Å; A791-E813 HydrophobicContact CB-CG 3.85Å
792	G	98.8	Very high	98.6	Very high	7 Å²	7	30.5 Å²	30.5	7%	0.072	15%	0.154	C	C	.	.	S	Bend	trans	121.8	161.7	-170.8	0	0	0	0	0	111.1	A794 T795 S809	G792-A794 VanDerWaalsContact C-N 3.28Å; G792-A794 PolarHBondContact O-N 3.25Å; G792-T795 PolarHBondContact N-OG1 3.02Å; G792-T795 WeakPolarHBondContact O-CA 3.45Å; G792-T795 WeakPolarHBondContact O-CB 3.5Å; G792-T795 PolarHBondContact O-N 3.34Å; G792-T795 PolarHBondContact O-OG1 3.25Å; G792-S809 PolarHBondContact N-OG 2.93Å; G792-S809 PolarHBondContact O-OG 3.2Å
793	E	98.8	Very high	98.6	Very high	5 Å²	5	27.8 Å²	27.8	2%	0.023	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-61.1	-35.7	-179.9	47.9	72.1	-130.6	0	0	113	R418 S766 T795 N796 Q801 A806	R418-E793 IonicContact CZ-OE1 2.72Å; R418-E793 IonicContact NH1-OE1 3.51Å; R418-E793 PolarHBondContact NH1-OE1 3.21Å; R418-E793 IonicContact NH1-OE2 2.79Å; R418-E793 IonicContact NH2-OE1 3.76Å; R418-E793 PolarHBondContact NH2-OE1 2.91Å; S766-E793 PolarHBondContact N-OE2 3.43Å; S766-E793 PolarHBondContact OG-OE2 2.97Å; E793-T795 PolarHBondContact O-N 3.49Å; E793-N796 PolarHBondContact O-N 3.39Å; E793-Q801 WeakPolarHBondContact OE2-CA 3.19Å; E793-Q801 PolarHBondContact OE2-N 3.42Å; E793-A806 HydrophobicContact CB-CB 4.31Å
794	A	98.9	Very high	98.6	Very high	7 Å²	7	25.1 Å²	25.1	6%	0.058	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-66.9	9.2	170	0	0	0	0	0	115.1	L627 Y777 G792	L627-A794 HydrophobicContact CB-CB 3.82Å; L627-A794 HydrophobicContact CD1-CB 4.32Å; L627-A794 HydrophobicContact CD2-CB 4.34Å; L627-A794 HydrophobicContact CG-CB 4.39Å; Y777-A794 VanDerWaalsContact CD1-C 3.46Å; G792-A794 VanDerWaalsContact C-N 3.28Å; G792-A794 PolarHBondContact O-N 3.25Å
795	T	98.9	Very high	98.6	Very high	5 Å²	5	24 Å²	24	3%	0.031	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-121.7	1.6	173.8	82	0	0	0	0	112.6	I780 A791 G792 E793 S809 R812	I780-T795 HydrophobicContact CG2-CG2 3.8Å; A791-T795 VanDerWaalsContact C-CG2 3.49Å; A791-T795 WeakPolarHBondContact CA-OG1 3.42Å; A791-T795 WeakPolarHBondContact O-CG2 3.43Å; G792-T795 PolarHBondContact N-OG1 3.02Å; G792-T795 WeakPolarHBondContact O-CA 3.45Å; G792-T795 WeakPolarHBondContact O-CB 3.5Å; G792-T795 PolarHBondContact O-N 3.34Å; G792-T795 PolarHBondContact O-OG1 3.25Å; E793-T795 PolarHBondContact O-N 3.49Å; T795-S809 WeakPolarHBondContact OG1-CB 3.37Å; T795-R812 PolarHBondContact O-NH1 3.33Å; T795-R812 PolarHBondContact OG1-NH2 3.47Å
796	N	98.9	Very high	98.7	Very high	13 Å²	13	17.5 Å²	17.5	7%	0.07	9%	0.094	C	C	.	.			trans	-113.3	96.4	-176	-167.8	-26.4	0	0	0	110.9	E793 H798 F799 P800 G805	E793-N796 PolarHBondContact O-N 3.39Å; N796-H798 VanDerWaalsContact C-N 3.32Å; N796-H798 PolarHBondContact O-N 3.3Å; N796-H798 PolarHBondContact OD1-N 3.26Å; N796-F799 CarbonylContact O-C 3.42Å; N796-F799 VanDerWaalsContact O-C 3.3Å; N796-F799 PolarHBondContact O-N 3.46Å; N796-F799 PolarHBondContact OD1-N 3.13Å; N796-P800 WeakPolarHBondContact O-CA 3.29Å; N796-G805 PolarHBondContact ND2-O 3.42Å
797	R	98.9	Very high	98.8	Very high	49 Å²	49	17.4 Å²	17.4	19%	0.185	9%	0.092	C	C	.	.	S	Bend	trans	-64.4	-33.3	-177.8	-176.6	174.7	176.6	176.2	1.7	114.1	H559 F563 G774 D778	H559-R797 PolarHBondContact CE1-O 3.35Å; F563-R797 HydrophobicContact CE2-CG 3.78Å; F563-R797 HydrophobicContact CZ-CG 4.31Å; G774-R797 VanDerWaalsContact O-CD 3.28Å; G774-R797 WeakPolarHBondContact O-CD 3.3Å; G774-R797 WeakPolarHBondContact O-CG 3.49Å; D778-R797 VanDerWaalsContact CG-CD 3.5Å; D778-R797 WeakPolarHBondContact OD1-CB 3.37Å; D778-R797 WeakPolarHBondContact OD1-CD 3.32Å; D778-R797 WeakPolarHBondContact OD2-CD 3.35Å; D778-R797 IonicContact OD2-CZ 3.12Å; D778-R797 IonicContact OD2-NE 2.83Å; D778-R797 IonicContact OD2-NH1 2.75Å; D778-R797 PolarHBondContact OD2-NH1 2.98Å
798	H	98.7	Very high	98.9	Very high	80 Å²	80	17.5 Å²	17.5	37%	0.37	9%	0.091	S	C	.	.	S	Bend	trans	-77	-38.5	-178.5	-70.7	-142.1	0	0	0	111	F563 Q565 N796	F563-H798 HydrophobicContact CB-CB 4.34Å; F563-H798 AromaticContact CD1-CD2 3.78Å; F563-H798 AromaticContact CD1-CE1 3.41Å; F563-H798 VanDerWaalsContact CD1-CE1 3.41Å; F563-H798 WeakPolarHBondContact CD1-CE1 3.33Å; F563-H798 AromaticContact CD1-ND1 3.84Å; F563-H798 AromaticContact CD1-NE2 3.37Å; F563-H798 WeakPolarHBondContact CD1-NE2 3.31Å; F563-H798 AromaticContact CE1-CD2 3.96Å; F563-H798 AromaticContact CE1-CE1 3.92Å; F563-H798 AromaticContact CE1-NE2 3.44Å; F563-H798 WeakPolarHBondContact CE1-NE2 3.24Å; F563-H798 AromaticContact CG-CD2 3.81Å; F563-H798 AromaticContact CG-CE1 3.93Å; F563-H798 AromaticContact CG-CG 3.82Å; F563-H798 AromaticContact CG-ND1 3.88Å; F563-H798 AromaticContact CG-NE2 3.9Å; Q565-H798 PolarHBondContact NE2-O 2.93Å; Q565-H798 PolarHBondContact OE1-O 3.14Å; N796-H798 VanDerWaalsContact C-N 3.32Å; N796-H798 PolarHBondContact O-N 3.3Å; N796-H798 PolarHBondContact OD1-N 3.26Å
799	F	98.7	Very high	98.9	Very high	17 Å²	17	17.5 Å²	17.5	8%	0.075	9%	0.091	C	C	.	.	S	Bend	trans	-135	70.7	-175	-44.7	-60.3	0	0	0	109.6	A279 A564 F566 N796 G805 L808	A279-F799 HydrophobicContact CB-CE1 3.73Å; A279-F799 HydrophobicContact CB-CZ 3.58Å; A564-F799 WeakPolarHBondContact O-CE1 3.4Å; F566-F799 AromaticContact CD2-CD1 3.67Å; F566-F799 HydrophobicContact CD2-CD1 3.67Å; F566-F799 AromaticContact CD2-CE1 3.79Å; F566-F799 HydrophobicContact CD2-CE1 3.79Å; F566-F799 HydrophobicContact CD2-CG 4.19Å; F566-F799 HydrophobicContact CD2-CZ 4.38Å; F566-F799 HydrophobicContact CE2-CB 4.41Å; F566-F799 AromaticContact CE2-CD1 3.5Å; F566-F799 HydrophobicContact CE2-CD1 3.5Å; F566-F799 AromaticContact CE2-CD2 3.79Å; F566-F799 HydrophobicContact CE2-CD2 3.79Å; F566-F799 AromaticContact CE2-CE1 3.6Å; F566-F799 HydrophobicContact CE2-CE1 3.6Å; F566-F799 AromaticContact CE2-CE2 3.87Å; F566-F799 HydrophobicContact CE2-CE2 3.87Å; F566-F799 AromaticContact CE2-CG 3.61Å; F566-F799 HydrophobicContact CE2-CG 3.61Å; F566-F799 AromaticContact CE2-CZ 3.79Å; F566-F799 HydrophobicContact CE2-CZ 3.79Å; F566-F799 HydrophobicContact CZ-CD2 4.42Å; F566-F799 HydrophobicContact CZ-CE1 4.4Å; F566-F799 HydrophobicContact CZ-CE2 4.19Å; F566-F799 HydrophobicContact CZ-CZ 4.19Å; N796-F799 CarbonylContact O-C 3.42Å; N796-F799 VanDerWaalsContact O-C 3.3Å; N796-F799 PolarHBondContact O-N 3.46Å; N796-F799 PolarHBondContact OD1-N 3.13Å; F799-G805 WeakPolarHBondContact O-CA 3.36Å; F799-L808 HydrophobicContact CD2-CD1 3.75Å; F799-L808 HydrophobicContact CE2-CD1 4.07Å
800	P	98.8	Very high	98.9	Very high	10 Å²	10	17.5 Å²	17.5	7%	0.065	9%	0.091	C	C	.	.			trans	-68.1	176.8	176.5	31.9	-37.3	0	0	0	110.7	N560 Y777 N796 T802	N560-P800 HydrophobicContact CB-CG 4Å; Y777-P800 HydrophobicContact CD1-CB 4.34Å; Y777-P800 HydrophobicContact CE1-CB 3.5Å; Y777-P800 VanDerWaalsContact CE1-CB 3.5Å; N796-P800 WeakPolarHBondContact O-CA 3.29Å; P800-T802 PolarHBondContact O-N 3.38Å; P800-T802 PolarHBondContact O-OG1 2.91Å
801	Q	98.8	Very high	98.9	Very high	64 Å²	64	17.8 Å²	17.8	30%	0.299	9%	0.093	S	C	.	.	S	Bend	trans	64	-40.1	172.2	-50.3	-175.3	-34.4	0	0	118.5	A544 Y765 S766 E793	A544-Q801 PolarHBondContact O-NE2 2.82Å; A544-Q801 PolarHBondContact O-OE1 2.96Å; Y765-Q801 HydrophobicContact CD2-CB 4.26Å; Y765-Q801 HydrophobicContact CD2-CG 4.06Å; Y765-Q801 HydrophobicContact CG-CB 4.09Å; Y765-Q801 HydrophobicContact CG-CG 4.32Å; S766-Q801 VanDerWaalsContact O-CG 3.29Å; S766-Q801 WeakPolarHBondContact O-CG 3.47Å; S766-Q801 PolarHBondContact O-NE2 2.91Å; E793-Q801 WeakPolarHBondContact OE2-CA 3.19Å; E793-Q801 PolarHBondContact OE2-N 3.42Å
802	T	98.9	Very high	98.9	Very high	40 Å²	40	21.1 Å²	21.1	25%	0.245	11%	0.105	C	C	.	.	S	Bend	trans	-86.2	158.5	-160.9	59	0	0	0	0	113.9	P800 T804 G805 A806	P800-T802 PolarHBondContact O-N 3.38Å; P800-T802 PolarHBondContact O-OG1 2.91Å; T802-T804 PolarHBondContact O-N 3.39Å; T802-G805 PolarHBondContact O-N 3.02Å; T802-G805 VanDerWaalsContact O-N 3.14Å; T802-G805 PolarHBondContact OG1-N 3.05Å; T802-A806 PolarHBondContact O-N 2.76Å
803	V	98.9	Very high	98.9	Very high	17 Å²	17	20.8 Å²	20.8	10%	0.103	10%	0.102	C	C	.	.	H	α-helix	trans	-59.3	-38.8	169.4	-173.7	0	0	0	0	110.6	A390 V419 A434 M445 Y577 A806 Y807	A390-V803 HydrophobicContact CB-CG1 3.85Å; V419-V803 HydrophobicContact CG2-CG1 4.3Å; V419-V803 HydrophobicContact CG2-CG2 4.08Å; A434-V803 HydrophobicContact CB-CG2 3.4Å; M445-V803 HydrophobicContact CE-CG1 3.9Å; M445-V803 HydrophobicContact SD-CG1 4.22Å; Y577-V803 HydrophobicContact CD1-CB 4.29Å; Y577-V803 HydrophobicContact CD1-CG1 3.87Å; Y577-V803 HydrophobicContact CD1-CG2 4.32Å; Y577-V803 HydrophobicContact CD2-CG2 4.32Å; Y577-V803 HydrophobicContact CE1-CB 3.84Å; Y577-V803 HydrophobicContact CE1-CG1 3.84Å; Y577-V803 HydrophobicContact CE1-CG2 4.09Å; Y577-V803 HydrophobicContact CE2-CG2 4.1Å; Y577-V803 HydrophobicContact CG-CG2 4.42Å; V803-A806 PolarHBondContact O-N 3.23Å; V803-Y807 WeakPolarHBondContact O-CB 3.36Å; V803-Y807 PolarHBondContact O-N 3.05Å
804	T	98.9	Very high	98.9	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.018	10%	0.1	C	C	.	.	H	α-helix	trans	-58.9	-46.4	172	-57.9	0	0	0	0	112.1	N443 P444 M445 F566 T802 Y807 L808	N443-T804 PolarHBondContact ND2-OG1 3.02Å; N443-T804 VanDerWaalsContact OD1-CG2 3.32Å; N443-T804 WeakPolarHBondContact OD1-CG2 3.44Å; N443-T804 PolarHBondContact OD1-OG1 3.04Å; P444-T804 HydrophobicContact CG-CG2 4.37Å; M445-T804 WeakPolarHBondContact CG-OG1 3.27Å; F566-T804 HydrophobicContact CD2-CG2 4.2Å; F566-T804 HydrophobicContact CE1-CG2 4.48Å; F566-T804 HydrophobicContact CE2-CG2 3.51Å; F566-T804 HydrophobicContact CZ-CG2 3.7Å; T802-T804 PolarHBondContact O-N 3.39Å; T804-Y807 PolarHBondContact O-N 2.85Å; T804-L808 HydrophobicContact CG2-CD1 3.85Å; T804-L808 HydrophobicContact CG2-CG 4.5Å; T804-L808 WeakPolarHBondContact O-CB 3.39Å; T804-L808 WeakPolarHBondContact O-CG 3.25Å; T804-L808 PolarHBondContact O-N 2.7Å
805	G	98.9	Very high	98.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59	-47.8	175.8	0	0	0	0	0	113.6	N796 F799 T802 L808 S809	N796-G805 PolarHBondContact ND2-O 3.42Å; F799-G805 WeakPolarHBondContact O-CA 3.36Å; T802-G805 PolarHBondContact O-N 3.02Å; T802-G805 VanDerWaalsContact O-N 3.14Å; T802-G805 PolarHBondContact OG1-N 3.05Å; G805-L808 PolarHBondContact O-N 3.43Å; G805-S809 PolarHBondContact O-N 3.17Å; G805-S809 PolarHBondContact O-OG 3.33Å
806	A	98.9	Very high	98.9	Very high	11 Å²	11	22.9 Å²	22.9	9%	0.091	11%	0.11	C	C	.	.	H	α-helix	trans	-60.5	-50.7	174.4	0	0	0	0	0	111.5	A390 A391 E793 T802 V803 L808 S809 G810	A390-A806 HydrophobicContact CB-CB 4.06Å; A391-A806 VanDerWaalsContact CA-O 3.29Å; A391-A806 WeakPolarHBondContact CA-O 3.24Å; A391-A806 HydrophobicContact CB-CB 4.16Å; A391-A806 VanDerWaalsContact CB-O 3.27Å; A391-A806 WeakPolarHBondContact CB-O 3.13Å; E793-A806 HydrophobicContact CB-CB 4.31Å; T802-A806 PolarHBondContact O-N 2.76Å; V803-A806 PolarHBondContact O-N 3.23Å; A806-L808 PolarHBondContact O-N 2.99Å; A806-S809 PolarHBondContact O-N 2.83Å; A806-S809 PolarHBondContact O-OG 3.19Å; A806-G810 PolarHBondContact O-N 2.94Å; A806-G810 VanDerWaalsContact O-N 3.11Å
807	Y	98.9	Very high	98.9	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.016	11%	0.106	C	C	.	.	H	α-helix	trans	-53.4	-51.7	176.5	174.6	-85.2	0	0	0	111.7	T362 G363 A394 P444 M445 M448 L584 V803 T804 S809 G810 V811	T362-Y807 PolarHBondContact OG1-OH 3.48Å; G363-Y807 VanDerWaalsContact CA-OH 3.31Å; G363-Y807 WeakPolarHBondContact CA-OH 3.38Å; G363-Y807 PolarHBondContact N-OH 2.91Å; A394-Y807 HydrophobicContact CB-CD2 3.46Å; A394-Y807 VanDerWaalsContact CB-CD2 3.46Å; A394-Y807 HydrophobicContact CB-CE2 3.75Å; A394-Y807 HydrophobicContact CB-CG 3.98Å; A394-Y807 WeakPolarHBondContact CB-O 3.29Å; P444-Y807 HydrophobicContact CB-CD1 3.62Å; P444-Y807 HydrophobicContact CB-CE1 3.6Å; P444-Y807 HydrophobicContact CB-CG 4.46Å; P444-Y807 HydrophobicContact CG-CD1 3.96Å; P444-Y807 HydrophobicContact CG-CE1 4.06Å; M445-Y807 HydrophobicContact CE-CD2 4.23Å; M445-Y807 HydrophobicContact CE-CG 3.88Å; M448-Y807 HydrophobicContact CE-CD2 3.69Å; M448-Y807 HydrophobicContact CE-CE2 3.68Å; M448-Y807 HydrophobicContact CE-CG 4.24Å; M448-Y807 HydrophobicContact SD-CD2 4.29Å; M448-Y807 HydrophobicContact SD-CE2 3.77Å; L584-Y807 HydrophobicContact CD1-CD2 4.24Å; L584-Y807 HydrophobicContact CD1-CE2 4.33Å; L584-Y807 HydrophobicContact CD2-CE2 4.33Å; V803-Y807 WeakPolarHBondContact O-CB 3.36Å; V803-Y807 PolarHBondContact O-N 3.05Å; T804-Y807 PolarHBondContact O-N 2.85Å; Y807-S809 VanDerWaalsContact C-N 3.32Å; Y807-S809 PolarHBondContact O-N 3.14Å; Y807-G810 WeakPolarHBondContact O-CA 3.35Å; Y807-G810 PolarHBondContact O-N 2.89Å; Y807-V811 HydrophobicContact CD1-CG2 4.06Å; Y807-V811 HydrophobicContact CE1-CG2 3.49Å; Y807-V811 VanDerWaalsContact CE1-CG2 3.49Å; Y807-V811 PolarHBondContact O-N 3.13Å
808	L	98.9	Very high	98.8	Very high	29 Å²	29	19.9 Å²	19.9	15%	0.152	10%	0.098	C	C	.	.	H	α-helix	trans	-64.2	-34.2	-178.7	-72.6	169.3	0	0	0	112.9	L280 P444 F566 F799 T804 G805 A806 G810 V811 R812	L280-L808 HydrophobicContact CD1-CD1 4.18Å; L280-L808 HydrophobicContact CD1-CD2 4.03Å; P444-L808 HydrophobicContact CG-CD1 4.33Å; P444-L808 HydrophobicContact CG-CD2 3.75Å; P444-L808 HydrophobicContact CG-CG 4.04Å; F566-L808 HydrophobicContact CE2-CD1 4.14Å; F566-L808 HydrophobicContact CZ-CD1 3.84Å; F799-L808 HydrophobicContact CD2-CD1 3.75Å; F799-L808 HydrophobicContact CE2-CD1 4.07Å; T804-L808 HydrophobicContact CG2-CD1 3.85Å; T804-L808 HydrophobicContact CG2-CG 4.5Å; T804-L808 WeakPolarHBondContact O-CB 3.39Å; T804-L808 WeakPolarHBondContact O-CG 3.25Å; T804-L808 PolarHBondContact O-N 2.7Å; G805-L808 PolarHBondContact O-N 3.43Å; A806-L808 PolarHBondContact O-N 2.99Å; L808-G810 VanDerWaalsContact C-N 3.31Å; L808-G810 PolarHBondContact O-N 3.39Å; L808-V811 PolarHBondContact O-N 2.93Å; L808-R812 WeakPolarHBondContact O-CB 3.41Å; L808-R812 PolarHBondContact O-N 3.2Å
809	S	98.9	Very high	98.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-65.7	-34.2	172.5	69.6	0	0	0	0	112.5	G792 T795 G805 A806 Y807 R812 E813	G792-S809 PolarHBondContact N-OG 2.93Å; G792-S809 PolarHBondContact O-OG 3.2Å; T795-S809 WeakPolarHBondContact OG1-CB 3.37Å; G805-S809 PolarHBondContact O-N 3.17Å; G805-S809 PolarHBondContact O-OG 3.33Å; A806-S809 PolarHBondContact O-N 2.83Å; A806-S809 PolarHBondContact O-OG 3.19Å; Y807-S809 VanDerWaalsContact C-N 3.32Å; Y807-S809 PolarHBondContact O-N 3.14Å; S809-R812 PolarHBondContact O-N 2.82Å; S809-E813 WeakPolarHBondContact O-CG 3.42Å; S809-E813 PolarHBondContact O-N 2.94Å
810	G	98.9	Very high	97.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-66.1	-45.2	173.3	0	0	0	0	0	112.5	A391 A395 A806 Y807 L808 R812 E813 A814	A391-G810 VanDerWaalsContact O-CA 3.32Å; A391-G810 WeakPolarHBondContact O-CA 3.38Å; A395-G810 WeakPolarHBondContact CB-O 3.42Å; A806-G810 PolarHBondContact O-N 2.94Å; A806-G810 VanDerWaalsContact O-N 3.11Å; Y807-G810 WeakPolarHBondContact O-CA 3.35Å; Y807-G810 PolarHBondContact O-N 2.89Å; L808-G810 VanDerWaalsContact C-N 3.31Å; L808-G810 PolarHBondContact O-N 3.39Å; G810-R812 VanDerWaalsContact C-N 3.33Å; G810-R812 PolarHBondContact O-N 3.44Å; G810-E813 PolarHBondContact O-N 2.71Å; G810-A814 WeakPolarHBondContact O-CB 3.46Å; G810-A814 PolarHBondContact O-N 3.04Å
811	V	98.9	Very high	97.9	Very high	8 Å²	8	24.3 Å²	24.3	5%	0.048	13%	0.127	C	C	.	.	H	α-helix	trans	-60.4	-42.7	173.7	178.4	0	0	0	0	111.3	A394 Q398 Y807 L808 A814 S815	A394-V811 HydrophobicContact CB-CG2 4.44Å; Q398-V811 HydrophobicContact CG-CG2 4.16Å; Y807-V811 HydrophobicContact CD1-CG2 4.06Å; Y807-V811 HydrophobicContact CE1-CG2 3.49Å; Y807-V811 VanDerWaalsContact CE1-CG2 3.49Å; Y807-V811 PolarHBondContact O-N 3.13Å; L808-V811 PolarHBondContact O-N 2.93Å; V811-A814 PolarHBondContact O-N 2.7Å; V811-S815 PolarHBondContact O-N 2.79Å
812	R	98.9	Very high	97.8	Very high	75 Å²	75	22.2 Å²	22.2	28%	0.283	12%	0.118	S	C	.	.	H	α-helix	trans	-59.2	-50.1	176.5	-176.5	-166	68.8	-147.3	-7.5	112	F790 T795 L808 S809 G810 S815 K816	F790-R812 PolarHBondContact O-NH2 3.28Å; T795-R812 PolarHBondContact O-NH1 3.33Å; T795-R812 PolarHBondContact OG1-NH2 3.47Å; L808-R812 WeakPolarHBondContact O-CB 3.41Å; L808-R812 PolarHBondContact O-N 3.2Å; S809-R812 PolarHBondContact O-N 2.82Å; G810-R812 VanDerWaalsContact C-N 3.33Å; G810-R812 PolarHBondContact O-N 3.44Å; R812-S815 WeakPolarHBondContact O-CB 3.33Å; R812-S815 PolarHBondContact O-N 2.95Å; R812-K816 PolarHBondContact O-N 3.39Å; R812-K816 VanDerWaalsContact O-N 3.13Å
813	E	98.9	Very high	97.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-69	-35.6	178.9	-60.4	-48.4	105.7	0	0	112	L622 F789 F790 A791 S809 G810 S815 K816 I817	L622-E813 HydrophobicContact CD1-CB 3.78Å; L622-E813 HydrophobicContact CD1-CG 3.76Å; L622-E813 HydrophobicContact CD2-CB 4.16Å; F789-E813 HydrophobicContact CB-CB 4.37Å; F789-E813 HydrophobicContact CB-CG 4.41Å; F790-E813 PolarHBondContact N-OE2 3.13Å; F790-E813 VanDerWaalsContact O-CD 3.26Å; F790-E813 VanDerWaalsContact O-CG 3.25Å; F790-E813 WeakPolarHBondContact O-CG 3.45Å; A791-E813 HydrophobicContact CB-CG 3.85Å; S809-E813 WeakPolarHBondContact O-CG 3.42Å; S809-E813 PolarHBondContact O-N 2.94Å; G810-E813 PolarHBondContact O-N 2.71Å; E813-S815 VanDerWaalsContact C-N 3.3Å; E813-S815 PolarHBondContact O-N 2.69Å; E813-K816 PolarHBondContact O-N 3.46Å; E813-K816 VanDerWaalsContact O-N 3.11Å; E813-K816 WeakPolarHBondContact OE1-CE 3.44Å; E813-K816 IonicContact OE1-NZ 2.71Å; E813-K816 PolarHBondContact OE1-NZ 3.01Å; E813-K816 WeakPolarHBondContact OE2-CD 3.45Å; E813-K816 IonicContact OE2-NZ 2.76Å; E813-K816 PolarHBondContact OE2-NZ 3.5Å; E813-I817 HydrophobicContact CB-CD1 4.42Å; E813-I817 WeakPolarHBondContact O-CB 3.47Å; E813-I817 WeakPolarHBondContact O-CD1 3.46Å; E813-I817 VanDerWaalsContact O-CG1 3.24Å; E813-I817 WeakPolarHBondContact O-CG1 3.42Å; E813-I817 PolarHBondContact O-N 3.29Å
814	A	98.9	Very high	97.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-58.6	-41.6	171	0	0	0	0	0	112	A395 Q398 L399 G810 V811 K816 I817 A818	A395-A814 HydrophobicContact CB-CB 4.48Å; Q398-A814 HydrophobicContact CB-CB 3.79Å; L399-A814 HydrophobicContact CD1-CB 4.44Å; L399-A814 HydrophobicContact CD2-CB 4.14Å; L399-A814 HydrophobicContact CG-CB 3.84Å; G810-A814 WeakPolarHBondContact O-CB 3.46Å; G810-A814 PolarHBondContact O-N 3.04Å; V811-A814 PolarHBondContact O-N 2.7Å; A814-K816 VanDerWaalsContact C-N 3.31Å; A814-K816 PolarHBondContact O-N 2.78Å; A814-I817 PolarHBondContact O-N 3.23Å; A814-A818 WeakPolarHBondContact O-CB 3.27Å; A814-A818 PolarHBondContact O-N 3.25Å
815	S	98.8	Very high	97.7	Very high	9 Å²	9	22.6 Å²	22.6	6%	0.063	12%	0.117	C	C	.	.	H	α-helix	trans	-63.8	-31.4	174.3	-179.5	0	0	0	0	113.6	R356 V811 R812 E813 A819	R356-S815 VanDerWaalsContact O-CA 3.3Å; R356-S815 WeakPolarHBondContact O-CA 3.23Å; R356-S815 WeakPolarHBondContact O-CB 3.3Å; R356-S815 PolarHBondContact O-OG 2.86Å; V811-S815 PolarHBondContact O-N 2.79Å; R812-S815 WeakPolarHBondContact O-CB 3.33Å; R812-S815 PolarHBondContact O-N 2.95Å; E813-S815 VanDerWaalsContact C-N 3.3Å; E813-S815 PolarHBondContact O-N 2.69Å; S815-A819 WeakPolarHBondContact O-CB 3.24Å
816	K	98.7	Very high	97.6	Very high	51 Å²	51	24.1 Å²	24.1	22%	0.222	13%	0.125	C	C	.	.	H	α-helix	trans	-74	-51.5	173.9	-65.7	-179.8	-171.9	169.5	0	110.7	A781 F789 R812 E813 A814 A818 A819 F820	A781-K816 PolarHBondContact O-NZ 3.37Å; F789-K816 HydrophobicContact CD1-CB 4.17Å; F789-K816 HydrophobicContact CD1-CD 3.97Å; F789-K816 HydrophobicContact CE1-CB 3.84Å; F789-K816 HydrophobicContact CE1-CD 4.1Å; R812-K816 PolarHBondContact O-N 3.39Å; R812-K816 VanDerWaalsContact O-N 3.13Å; E813-K816 PolarHBondContact O-N 3.46Å; E813-K816 VanDerWaalsContact O-N 3.11Å; E813-K816 WeakPolarHBondContact OE1-CE 3.44Å; E813-K816 IonicContact OE1-NZ 2.71Å; E813-K816 PolarHBondContact OE1-NZ 3.01Å; E813-K816 WeakPolarHBondContact OE2-CD 3.45Å; E813-K816 IonicContact OE2-NZ 2.76Å; E813-K816 PolarHBondContact OE2-NZ 3.5Å; A814-K816 VanDerWaalsContact C-N 3.31Å; A814-K816 PolarHBondContact O-N 2.78Å; K816-A818 PolarHBondContact O-N 3.16Å; K816-A819 WeakPolarHBondContact O-CB 3.35Å; K816-A819 PolarHBondContact O-N 2.97Å; K816-F820 VanDerWaalsContact O-CD2 3.24Å; K816-F820 WeakPolarHBondContact O-CD2 3.09Å; K816-F820 PolarHBondContact O-N 2.92Å
817	I	98.7	Very high	97.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.5	-34.8	-176	-69.9	163.3	0	0	0	111.4	V383 L399 L622 F789 E813 A814	V383-I817 HydrophobicContact CG1-CD1 4.35Å; V383-I817 HydrophobicContact CG1-CG2 4.49Å; V383-I817 HydrophobicContact CG2-CG2 3.65Å; L399-I817 HydrophobicContact CD1-CD1 4.25Å; L399-I817 HydrophobicContact CD1-CG2 4.23Å; L399-I817 HydrophobicContact CD2-CB 4.12Å; L399-I817 HydrophobicContact CD2-CG2 3.8Å; L622-I817 HydrophobicContact CB-CD1 4.16Å; L622-I817 HydrophobicContact CD2-CD1 4.36Å; F789-I817 HydrophobicContact CB-CD1 4.09Å; F789-I817 HydrophobicContact CB-CG1 4.4Å; F789-I817 HydrophobicContact CD1-CD1 4.46Å; F789-I817 HydrophobicContact CD1-CG1 3.9Å; F789-I817 HydrophobicContact CD2-CD1 3.87Å; F789-I817 HydrophobicContact CD2-CG1 3.51Å; F789-I817 HydrophobicContact CE1-CG1 4.02Å; F789-I817 HydrophobicContact CE2-CD1 4.48Å; F789-I817 HydrophobicContact CE2-CG1 3.66Å; F789-I817 HydrophobicContact CG-CD1 3.86Å; F789-I817 HydrophobicContact CG-CG1 3.64Å; F789-I817 HydrophobicContact CZ-CG1 3.9Å; E813-I817 HydrophobicContact CB-CD1 4.42Å; E813-I817 WeakPolarHBondContact O-CB 3.47Å; E813-I817 WeakPolarHBondContact O-CD1 3.46Å; E813-I817 VanDerWaalsContact O-CG1 3.24Å; E813-I817 WeakPolarHBondContact O-CG1 3.42Å; E813-I817 PolarHBondContact O-N 3.29Å; A814-I817 PolarHBondContact O-N 3.23Å
818	A	98.3	Very high	97.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	3.8	174.5	0	0	0	0	0	114.6	R356 L374 Y378 L399 F402 I404 A814 K816	R356-A818 WeakPolarHBondContact CD-O 3.12Å; R356-A818 HydrophobicContact CG-CB 4.21Å; L374-A818 HydrophobicContact CD1-CB 4.48Å; Y378-A818 WeakPolarHBondContact CD1-O 3.42Å; Y378-A818 WeakPolarHBondContact CE1-O 3.45Å; L399-A818 HydrophobicContact CD2-CB 4.36Å; F402-A818 HydrophobicContact CD2-CB 3.79Å; F402-A818 HydrophobicContact CE2-CB 4.17Å; I404-A818 HydrophobicContact CD1-CB 3.69Å; A814-A818 WeakPolarHBondContact O-CB 3.27Å; A814-A818 PolarHBondContact O-N 3.25Å; K816-A818 PolarHBondContact O-N 3.16Å
819	A	95.4	Very high	97.2	Very high	59 Å²	59	26.5 Å²	26.5	49%	0.488	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-20.5	173.8	0	0	0	0	0	113.1	S815 K816	S815-A819 WeakPolarHBondContact O-CB 3.24Å; K816-A819 WeakPolarHBondContact O-CB 3.35Å; K816-A819 PolarHBondContact O-N 2.97Å
820	F	83.3	Confident	97.1	Very high	116 Å²	116	28.9 Å²	28.9	51%	0.509	15%	0.147	S	C	.	.			trans	-70.7	0	153.2	-61.1	-81.8	0	0	0	109.9	K381 G786 F789 K816	K381-F820 WeakPolarHBondContact CE-O 3.36Å; K381-F820 WeakPolarHBondContact CE-OXT 3.17Å; K381-F820 PolarHBondContact NZ-O 3.11Å; K381-F820 PolarHBondContact NZ-OXT 2.88Å; G786-F820 VanDerWaalsContact CA-CZ 3.45Å; F789-F820 HydrophobicContact CE1-CD2 4.38Å; F789-F820 AromaticContact CE1-CE2 3.82Å; F789-F820 HydrophobicContact CE1-CE2 3.82Å; F789-F820 AromaticContact CZ-CD2 3.86Å; F789-F820 HydrophobicContact CZ-CD2 3.86Å; F789-F820 AromaticContact CZ-CE2 3.59Å; F789-F820 HydrophobicContact CZ-CE2 3.59Å; K816-F820 VanDerWaalsContact O-CD2 3.24Å; K816-F820 WeakPolarHBondContact O-CD2 3.09Å; K816-F820 PolarHBondContact O-N 2.92Å

Retrieved 820 of 820 residues in 155 ms (Link to these results)

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