A0A3Q0KCT0_SCHMA Loading...

Amine oxidase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KCT0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,000 aa.

						>A0A3Q0KCT0_SCHMA|A0A3Q0KCT0
MPGTEFKLKSSNEIHYDQYHQLLNVERELPENSNSQELSIFSDKTNIGPNNVNNNSGRSFPQKNWLKLIILLLISICIIFPTIYFLCYTFIHCHTNNLMNNNNNNNTTYIKSNIITSESNHNHDSILSSINNNYNIDNSYLNPSIQTINEDEYNSIKQNNNNNINLDFGIFDEPNNEEYQNVINFLKLKFNSIYAFNSFIKTNKSLNNNNNNSNNNNDSNDNNNNNGTLFEPLKMNYLWSLNLYIPNKKERSNYFNSLLRNNNHSNSNHSNNNSNGNNNNNGSSSFERYGIAIILFGSYKIPKIKEYLIGPLKQPKLIKLLNIYPYYKRPLTNIEYKMVLDYLTIQTNRMNHIIMETYSASYFMYKPLHNYWLYKYNNTWFNQFNERNSLCQKSIHNNNDNTNKGRPNCLIPIFASPMITTEAPERRRIWIRLCRQVTPFIQYPVDIQFHIDQTSLDPDEWELLGIWFQGQMFTSIEELLSKYHSGEFKVIKHPFIDMYHNQLKPGPNQQSTTHINEFMKSNSETANRKSNLIHVNRRRIQYDRWDFHVTVRRDTGLRVFNVYFANVSLISEAGLEETVTSYWGKSPFMQAMTSLESVFGIGGMTSELSPGLDCPKNAIYLPVRLIDSGETGPKLIKNGICLFEWKTNPYHGPIRRHFEFHINDYFGEKNDAKYTNFGHGITSNSLIVRTISTLFNYDYIFDIIFYSSGVIEFSVTPTGYIHVDVELDPFQYNFKYGFPAVINPIYMVIHHHLFHFKIDIDIVNKENFIKVVKIHGSLTEDQIKLDPLQQTTNRSNGSNDSELLWLSIDIPKTEMEARFSTKFEFPKQYLICSTNSNMNGSFNKTSQYYRNDKCLVIVNKGQVKTIFSDQYTKSFAWSRHQLYVTQQHDNESFASSIFNGVDLNSPVVDFTKFSSNNESIFNEDLVLWLTVGNYHLPRHEDLPNTATSGGPLSIFIMPHNLFTYSPDAFGCNRFYTESLNEWITGPQIKEECQMEPIPML
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	29.9	Very low	238 Å²	238	151.6 Å²	151.6	100%	1.172	83%	0.833	S	S	*	*				0	119.7	0	-74.6	175.5	163	0	0	107.4
2	P	29.5	Very low	30.3	Very low	134 Å²	134	150.9 Å²	150.9	87%	0.87	83%	0.827	S	S	*	*			trans	-85.7	136.6	172.4	32.3	-26.1	0	0	0	110.5
3	G	30.7	Very low	30.3	Very low	77 Å²	77	151.2 Å²	151.2	79%	0.794	82%	0.819	S	S	*	*			trans	75.2	71.8	156.4	0	0	0	0	0	117.3	E5	G3-E5 PolarHBondContact O-N 3.06Å
4	T	30.8	Very low	30.4	Very low	128 Å²	128	151.1 Å²	151.1	79%	0.785	82%	0.815	S	S	*	*			trans	-88.6	91.6	153.3	-0.3	0	0	0	0	107.9	F6	T4-F6 PolarHBondContact O-N 2.96Å
5	E	27.4	Very low	30.1	Very low	151 Å²	151	151.6 Å²	151.6	71%	0.706	81%	0.81	S	S	*	*			trans	-61.1	112.6	163.2	-93.8	-175.4	167.6	0	0	108.7	G3 K7	G3-E5 PolarHBondContact O-N 3.06Å; E5-K7 VanDerWaalsContact C-N 3.25Å; E5-K7 PolarHBondContact O-N 2.85Å; E5-K7 IonicContact OE2-NZ 2.67Å
6	F	27.2	Very low	30	Very low	198 Å²	198	155.9 Å²	155.9	87%	0.868	81%	0.814	S	S	*	*			trans	-72.7	83.4	164.6	-79.3	-88.3	0	0	0	108.7	T4 L8	T4-F6 PolarHBondContact O-N 2.96Å; F6-L8 PolarHBondContact O-N 3.03Å
7	K	26.1	Very low	29.9	Very low	167 Å²	167	153.5 Å²	153.5	73%	0.726	80%	0.802	S	S	*	*			trans	-74.3	104.7	161.1	-80.6	-176.8	-179.8	175	0	108	E5 K9	E5-K7 VanDerWaalsContact C-N 3.25Å; E5-K7 PolarHBondContact O-N 2.85Å; E5-K7 IonicContact OE2-NZ 2.67Å; K7-K9 VanDerWaalsContact C-N 3.33Å; K7-K9 PolarHBondContact O-N 3.3Å
8	L	28.4	Very low	29.7	Very low	175 Å²	175	154.1 Å²	154.1	92%	0.916	80%	0.8	S	S	*	*			trans	-54.8	97.7	164.4	-74.7	160.7	0	0	0	107.9	F6 S10	F6-L8 PolarHBondContact O-N 3.03Å; L8-S10 PolarHBondContact O-N 3.25Å
9	K	27.4	Very low	29.5	Very low	179 Å²	179	158.7 Å²	158.7	78%	0.778	81%	0.808	S	S	*	*			trans	-65.1	130.8	169.8	-83.6	-172.5	171.4	-169.9	0	108.1	K7	K7-K9 VanDerWaalsContact C-N 3.33Å; K7-K9 PolarHBondContact O-N 3.3Å
10	S	29.7	Very low	29.3	Very low	102 Å²	102	158.1 Å²	158.1	71%	0.713	80%	0.801	S	S	*	*			trans	-49.5	144.6	177.4	51.4	0	0	0	0	112.3	L8 N12	L8-S10 PolarHBondContact O-N 3.25Å; S10-N12 PolarHBondContact O-N 3.27Å
11	S	38.3	Very low	29.1	Very low	119 Å²	119	158.9 Å²	158.9	83%	0.832	80%	0.802	S	S	*	*	S	Bend	trans	-63.3	25.8	-168.6	53.8	0	0	0	0	117.9
12	N	34.6	Very low	28.6	Very low	143 Å²	143	155.4 Å²	155.4	77%	0.765	79%	0.787	S	S	*	*			trans	-111.9	13	-176.4	-77.3	6.1	0	0	0	115.4	S10	S10-N12 PolarHBondContact O-N 3.27Å
13	E	30	Very low	28.5	Very low	155 Å²	155	156.5 Å²	156.5	72%	0.724	79%	0.785	S	S	*	*			trans	-134.6	63	175.8	-71.6	-174.5	161.7	0	0	112.5
14	I	32	Very low	28.1	Very low	149 Å²	149	160.6 Å²	160.6	76%	0.764	79%	0.789	S	S	*	*			trans	-136.2	91.2	154.2	-58.1	-178.6	0	0	0	107.7	Y16	I14-Y16 HydrophobicContact CG2-CD2 3.85Å; I14-Y16 HydrophobicContact CG2-CE2 4.35Å; I14-Y16 PolarHBondContact O-N 3.47Å
15	H	26.3	Very low	27.9	Very low	159 Å²	159	160.9 Å²	160.9	74%	0.736	79%	0.79	S	S	*	*			trans	-65.1	103.4	163.9	-94.1	-96.5	0	0	0	108.9	D17	H15-D17 IonicContact CE1-OD2 3.34Å; H15-D17 IonicContact CG-OD2 3.05Å; H15-D17 IonicContact ND1-OD2 2.79Å; H15-D17 PolarHBondContact ND1-OD2 3.28Å
16	Y	28.9	Very low	27.7	Very low	221 Å²	221	161.9 Å²	161.9	87%	0.867	79%	0.794	S	S	*	*			trans	-109.2	84.8	151.3	-99.4	-81.3	0	0	0	107.1	I14	I14-Y16 HydrophobicContact CG2-CD2 3.85Å; I14-Y16 HydrophobicContact CG2-CE2 4.35Å; I14-Y16 PolarHBondContact O-N 3.47Å
17	D	27.2	Very low	27.6	Very low	115 Å²	115	162.7 Å²	162.7	62%	0.615	79%	0.792	S	S	*	*			trans	-63.5	145.4	167.9	-83.4	-54.6	0	0	0	110.7	H15	H15-D17 IonicContact CE1-OD2 3.34Å; H15-D17 IonicContact CG-OD2 3.05Å; H15-D17 IonicContact ND1-OD2 2.79Å; H15-D17 PolarHBondContact ND1-OD2 3.28Å
18	Q	27.1	Very low	27.5	Very low	163 Å²	163	162.9 Å²	162.9	76%	0.762	80%	0.795	S	S	*	*			trans	81.4	74.1	159.8	-63.1	172.9	-0.6	0	0	118.6
19	Y	25.5	Very low	27.1	Very low	242 Å²	242	162.2 Å²	162.2	95%	0.949	79%	0.792	S	S	*	*	S	Bend		-125.4	124.7	125.5	-110.5	-92.9	0	0	0	108.9
20	H	26	Very low	27.1	Very low	147 Å²	147	159.7 Å²	159.7	68%	0.681	79%	0.794	S	S	*	*			trans	-60.3	134.6	-158.2	-81.7	-97.3	0	0	0	116.7	L22	H20-L22 PolarHBondContact O-N 3.36Å
21	Q	24.1	Very low	26.8	Very low	174 Å²	174	162.9 Å²	162.9	81%	0.813	80%	0.797	S	S	*	*				19.7	100.8	125.2	-69.7	175.2	-32.4	0	0	116.6
22	L	24	Very low	26.3	Very low	166 Å²	166	164.2 Å²	164.2	87%	0.869	80%	0.795	S	S	*	*			trans	-147.3	133.2	143.5	-96.7	169.8	0	0	0	108.6	H20	H20-L22 PolarHBondContact O-N 3.36Å
23	L	26.5	Very low	25.8	Very low	157 Å²	157	161.8 Å²	161.8	82%	0.822	79%	0.789	S	S	*	*			trans	92.8	66.7	175.4	-51.4	172.1	0	0	0	116.3	V25	L23-V25 PolarHBondContact O-N 3.31Å
24	N	22.5	Very low	25.7	Very low	163 Å²	163	161.4 Å²	161.4	87%	0.872	79%	0.792	S	S	*	*			trans	-51.8	113.6	139.7	-75.7	-22.3	0	0	0	109.6
25	V	27.2	Very low	25.3	Very low	134 Å²	134	158.8 Å²	158.8	81%	0.812	79%	0.787	S	S	*	*			trans	-130.9	108.7	145.3	178.2	0	0	0	0	106.6	L23	L23-V25 PolarHBondContact O-N 3.31Å
26	E	22.5	Very low	25.1	Very low	171 Å²	171	158.9 Å²	158.9	80%	0.799	79%	0.788	S	S	*	*			trans	-55	140.7	171.3	-60.9	166.1	145.8	0	0	111.2
27	R	25.3	Very low	24.9	Very low	215 Å²	215	155.9 Å²	155.9	81%	0.811	78%	0.782	S	S	*	*				178.2	123.6	111.2	-96.4	177.1	-174.7	-175.4	-0.2	113.1
28	E	25	Very low	24.7	Very low	172 Å²	172	158.3 Å²	158.3	80%	0.804	79%	0.794	S	S	*	*			trans	74.3	107.2	137.3	-67	175.5	-171.2	0	0	120.5
29	L	20.2	Very low	24.4	Very low	161 Å²	161	154.9 Å²	154.9	84%	0.843	79%	0.788	S	S	*	*			trans	-52.1	153.7	157.1	-65.8	153.8	0	0	0	113.1
30	P	26	Very low	24.3	Very low	125 Å²	125	149.9 Å²	149.9	81%	0.812	78%	0.776	S	S	*	*			trans	-110.3	128	132	14.5	2.8	0	0	0	110.7
31	E	23.3	Very low	24.3	Very low	169 Å²	169	151.9 Å²	151.9	79%	0.79	78%	0.783	S	S	*	*			trans	-59.2	137.1	167.1	-60.3	169.6	144.2	0	0	111.3
32	N	28.1	Very low	24.3	Very low	148 Å²	148	148.6 Å²	148.6	79%	0.791	78%	0.779	S	S	*	*				-173.7	124.4	118	-102.2	-31.6	0	0	0	114.7
33	S	25.4	Very low	24.5	Very low	91 Å²	91	147 Å²	147	64%	0.636	77%	0.772	S	S	*	*			trans	69	113.1	134.7	69.1	0	0	0	0	122
34	N	26.3	Very low	24.3	Very low	147 Å²	147	148.7 Å²	148.7	79%	0.786	77%	0.772	S	S	*	*				90.8	86	127.3	-63.6	-4.9	0	0	0	119.9
35	S	23.8	Very low	24.6	Very low	94 Å²	94	147.5 Å²	147.5	66%	0.657	77%	0.771	S	S	*	*				37.4	120.7	110.9	65.6	0	0	0	0	120.5
36	Q	23.6	Very low	24.3	Very low	161 Å²	161	148.6 Å²	148.6	75%	0.752	77%	0.773	S	S	*	*				77.7	121.2	128.9	-73.7	-177.2	-39.5	0	0	120.8
37	E	22.9	Very low	24.7	Very low	158 Å²	158	148.5 Å²	148.5	74%	0.738	78%	0.776	S	S	*	*			trans	58.2	116.6	132.5	-62.9	-178.3	170.5	0	0	118.8
38	L	23.5	Very low	24.6	Very low	167 Å²	167	141.3 Å²	141.3	87%	0.874	77%	0.768	S	S	*	*				-179.5	128.5	105.7	-97.6	149.4	0	0	0	112.2
39	S	21.1	Very low	25	Very low	91 Å²	91	139 Å²	139	64%	0.636	77%	0.768	S	S	*	*			trans	-72.9	159.3	159.1	53.3	0	0	0	0	111.9
40	I	22.8	Very low	25.4	Very low	137 Å²	137	139.2 Å²	139.2	70%	0.703	77%	0.771	S	S	*	*			trans	90.5	103.7	162.5	-49.9	159.1	0	0	0	114.6
41	F	27.3	Very low	25.3	Very low	189 Å²	189	140 Å²	140	83%	0.829	77%	0.768	S	S	*	*				-148	98.2	129.3	-98	-76.8	0	0	0	109.3	D43	F41-D43 WeakPolarHBondContact CD1-OD2 3.46Å
42	S	23.2	Very low	25.3	Very low	104 Å²	104	137.1 Å²	137.1	73%	0.727	76%	0.761	S	S	*	*			trans	-77.9	113.9	149.6	53.1	0	0	0	0	106.9
43	D	27.5	Very low	25.2	Very low	132 Å²	132	137.8 Å²	137.8	71%	0.706	77%	0.765	S	S	*	*			trans	-125.9	123.6	165.1	-98.8	-32.1	0	0	0	111.9	F41	F41-D43 WeakPolarHBondContact CD1-OD2 3.46Å
44	K	22.9	Very low	25.1	Very low	193 Å²	193	140.2 Å²	140.2	84%	0.839	77%	0.771	S	S	*	*			trans	-70.7	125.8	171	-69.2	167.3	171.9	173.4	0	108.2
45	T	28.7	Very low	25.2	Very low	139 Å²	139	140.4 Å²	140.4	85%	0.853	77%	0.772	S	S	*	*			trans	-107.3	108.7	159	39.1	0	0	0	0	109.3
46	N	21.6	Very low	25.2	Very low	157 Å²	157	141.4 Å²	141.4	84%	0.84	78%	0.779	S	S	*	*			trans	-69.9	124.3	163.7	-80.8	-34.3	0	0	0	109.4
47	I	29.5	Very low	25.4	Very low	168 Å²	168	137.3 Å²	137.3	86%	0.862	78%	0.78	S	S	*	*			trans	-135.7	125.7	148.4	-61.5	-177.1	0	0	0	107.9
48	G	24.8	Very low	25.7	Very low	64 Å²	64	141.1 Å²	141.1	66%	0.66	79%	0.787	S	S	*	*			trans	-82.8	-166.7	-175.1	0	0	0	0	0	115.3
49	P	33	Very low	25.9	Very low	123 Å²	123	138.7 Å²	138.7	80%	0.799	79%	0.785	S	S	*	*			trans	-104.3	151.5	-141.2	37.5	-32.6	0	0	0	114.3
50	N	28.1	Very low	26.4	Very low	167 Å²	167	143.4 Å²	143.4	89%	0.893	79%	0.794	S	S	*	*			trans	-136.1	102.1	157	-99	-21.1	0	0	0	111.5
51	N	24.5	Very low	27.1	Very low	142 Å²	142	142.2 Å²	142.2	76%	0.759	80%	0.795	S	S	*	*			trans	11.3	127.1	142.8	-80.5	-17.7	0	0	0	122.1
52	V	23.1	Very low	27.8	Very low	107 Å²	107	142.1 Å²	142.1	65%	0.648	80%	0.798	S	S	*	*				74.2	105.3	124.4	-174.7	0	0	0	0	117.5
53	N	26.6	Very low	28.9	Very low	162 Å²	162	146.2 Å²	146.2	87%	0.866	80%	0.802	S	S	*	*				-155.4	127.1	111	-100.4	-27.7	0	0	0	112.5
54	N	23.1	Very low	30.1	Very low	142 Å²	142	145.4 Å²	145.4	76%	0.759	80%	0.798	S	S	*	*			trans	-66.4	140.9	171.9	-73.9	-41.2	0	0	0	110.9
55	N	27	Very low	31.9	Very low	151 Å²	151	145.7 Å²	145.7	81%	0.807	79%	0.794	S	S	*	*				-170.8	102.9	125.3	-94.1	-18	0	0	0	111.8	G57	N55-G57 PolarHBondContact O-N 2.9Å
56	S	24.9	Very low	34	Very low	115 Å²	115	145.1 Å²	145.1	80%	0.804	79%	0.785	S	S	*	*			trans	24.5	89.8	138.8	60.8	0	0	0	0	118.8
57	G	27.9	Very low	36.4	Very low	75 Å²	75	144.6 Å²	144.6	77%	0.773	78%	0.775	S	S	*	*			trans	-107.2	105.7	155.9	0	0	0	0	0	109.6	N55 S59	N55-G57 PolarHBondContact O-N 2.9Å; G57-S59 PolarHBondContact O-N 3.39Å
58	R	29.2	Very low	38.8	Very low	238 Å²	238	141.9 Å²	141.9	90%	0.898	76%	0.762	S	S	*	*			trans	-56.4	120.2	176.7	-79	176.9	173.3	169.5	-2.3	110.5	F60	R58-F60 PolarHBondContact O-N 2.75Å
59	S	27.6	Very low	41.5	Very low	117 Å²	117	142.5 Å²	142.5	82%	0.818	75%	0.749	S	S	*	*			trans	-64.2	111.1	170.3	53.6	0	0	0	0	111.1	G57	G57-S59 PolarHBondContact O-N 3.39Å
60	F	31.5	Very low	43.8	Very low	189 Å²	189	140.7 Å²	140.7	83%	0.829	73%	0.732	S	S	*	*			trans	-95.6	137.5	158.2	-100.6	-91.1	0	0	0	108.9	R58 Q62	R58-F60 PolarHBondContact O-N 2.75Å; F60-Q62 PolarHBondContact O-N 3.32Å
61	P	37.7	Very low	46.4	Very low	113 Å²	113	138.3 Å²	138.3	73%	0.734	72%	0.718	S	S	*	*			trans	-78.8	114.2	-164.5	30.8	-32.2	0	0	0	111.5	K63	P61-K63 PolarHBondContact O-N 3.26Å
62	Q	40.6	Very low	49.2	Very low	187 Å²	187	136.3 Å²	136.3	87%	0.874	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	26.6	-175.2	-146.3	175.9	3.3	0	0	114.6	F60	F60-Q62 PolarHBondContact O-N 3.32Å
63	K	46.6	Very low	52	Low	189 Å²	189	135.9 Å²	135.9	82%	0.822	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	0.8	-173.6	-93.4	-173.3	176.7	-179.4	0	116.7	P61	P61-K63 PolarHBondContact O-N 3.26Å
64	N	52.7	Low	54.7	Low	115 Å²	115	132.5 Å²	132.5	62%	0.615	68%	0.682	S	S	*	*	S	Bend	trans	-109.6	-9	-179.6	-79.2	-11.5	0	0	0	115.9	L66 K67 L68	N64-L66 PolarHBondContact O-N 3.37Å; N64-K67 PolarHBondContact O-N 3.28Å; N64-L68 PolarHBondContact O-N 2.95Å; N64-L68 VanDerWaalsContact O-N 3.1Å
65	W	61.4	Low	57.3	Low	200 Å²	200	128.8 Å²	128.8	76%	0.758	67%	0.667	S	S	*	*	H	α-helix	trans	-66	-41	-177.1	-110.8	61.3	0	0	0	113.3	K67 L68 I69	W65-K67 PolarHBondContact O-N 3.34Å; W65-L68 PolarHBondContact O-N 3.14Å; W65-I69 HydrophobicContact CE3-CD1 3.88Å; W65-I69 HydrophobicContact CZ3-CD1 4.36Å; W65-I69 WeakPolarHBondContact O-CG1 3.28Å; W65-I69 PolarHBondContact O-N 3.41Å
66	L	72.7	Confident	59.8	Low	127 Å²	127	125.3 Å²	125.3	67%	0.665	65%	0.648	S	S	*	*	H	α-helix	trans	-66.1	-38.1	179.5	-166	71.7	0	0	0	112.2	N64 L68 I69 I70	N64-L66 PolarHBondContact O-N 3.37Å; L66-L68 VanDerWaalsContact C-N 3.35Å; L66-I69 PolarHBondContact O-N 3.03Å; L66-I70 HydrophobicContact CG-CD1 4.07Å; L66-I70 WeakPolarHBondContact O-CB 3.1Å; L66-I70 WeakPolarHBondContact O-CD1 3.45Å; L66-I70 VanDerWaalsContact O-CG1 3.22Å; L66-I70 WeakPolarHBondContact O-CG1 3.34Å; L66-I70 PolarHBondContact O-N 2.99Å
67	K	72.1	Confident	62.3	Low	146 Å²	146	124.2 Å²	124.2	64%	0.635	64%	0.639	S	S	*	*	H	α-helix	trans	-65	-39.5	173.8	-81.4	-175.6	175.5	-178.7	0	111.7	N64 W65 I70 L71	N64-K67 PolarHBondContact O-N 3.28Å; W65-K67 PolarHBondContact O-N 3.34Å; K67-I70 PolarHBondContact O-N 3.45Å; K67-L71 WeakPolarHBondContact O-CB 3.37Å; K67-L71 WeakPolarHBondContact O-CG 3.24Å; K67-L71 PolarHBondContact O-N 3.37Å
68	L	79.7	Confident	64.8	Low	111 Å²	111	125.7 Å²	125.7	58%	0.581	63%	0.628	S	S	*	*	H	α-helix	trans	-64.2	-45.5	177.2	-141.2	95.7	0	0	0	111.1	N64 W65 L66 L71 L72	N64-L68 PolarHBondContact O-N 2.95Å; N64-L68 VanDerWaalsContact O-N 3.1Å; W65-L68 PolarHBondContact O-N 3.14Å; L66-L68 VanDerWaalsContact C-N 3.35Å; L68-L71 PolarHBondContact O-N 2.93Å; L68-L72 WeakPolarHBondContact O-CB 3.46Å; L68-L72 PolarHBondContact O-N 3.15Å
69	I	81.7	Confident	67.2	Low	76 Å²	76	118.3 Å²	118.3	39%	0.39	61%	0.605	S	S	.	*	H	α-helix	trans	-62.5	-44.2	178	-68.6	166.9	0	0	0	111.1	W65 L66 L72 L73	W65-I69 HydrophobicContact CE3-CD1 3.88Å; W65-I69 HydrophobicContact CZ3-CD1 4.36Å; W65-I69 WeakPolarHBondContact O-CG1 3.28Å; W65-I69 PolarHBondContact O-N 3.41Å; L66-I69 PolarHBondContact O-N 3.03Å; I69-L72 PolarHBondContact O-N 3.27Å; I69-L73 HydrophobicContact CG2-CD1 3.87Å; I69-L73 HydrophobicContact CG2-CG 4.38Å; I69-L73 WeakPolarHBondContact O-CB 3.39Å; I69-L73 WeakPolarHBondContact O-CG 2.92Å; I69-L73 PolarHBondContact O-N 3.45Å
70	I	81.5	Confident	69.3	Low	85 Å²	85	119.8 Å²	119.8	44%	0.436	60%	0.597	S	S	.	*	H	α-helix	trans	-63.8	-43.3	178.1	-68.9	166.7	0	0	0	110.9	L66 K67 L72 L73 I74	L66-I70 HydrophobicContact CG-CD1 4.07Å; L66-I70 WeakPolarHBondContact O-CB 3.1Å; L66-I70 WeakPolarHBondContact O-CD1 3.45Å; L66-I70 VanDerWaalsContact O-CG1 3.22Å; L66-I70 WeakPolarHBondContact O-CG1 3.34Å; L66-I70 PolarHBondContact O-N 2.99Å; K67-I70 PolarHBondContact O-N 3.45Å; I70-L72 VanDerWaalsContact C-N 3.33Å; I70-L72 PolarHBondContact O-N 2.76Å; I70-L73 PolarHBondContact O-N 2.81Å; I70-I74 HydrophobicContact CG2-CD1 3.74Å; I70-I74 HydrophobicContact CG2-CG1 4.42Å; I70-I74 VanDerWaalsContact O-CG1 3.24Å; I70-I74 WeakPolarHBondContact O-CG1 3.02Å; I70-I74 PolarHBondContact O-N 3.41Å
71	L	82.5	Confident	71.3	Confident	117 Å²	117	114.2 Å²	114.2	61%	0.613	58%	0.58	S	S	*	*	H	α-helix	trans	-62.5	-39.6	175.4	-82.1	160.9	0	0	0	112	K67 L68 I74 S75	K67-L71 WeakPolarHBondContact O-CB 3.37Å; K67-L71 WeakPolarHBondContact O-CG 3.24Å; K67-L71 PolarHBondContact O-N 3.37Å; L68-L71 PolarHBondContact O-N 2.93Å; L71-I74 PolarHBondContact O-N 2.86Å; L71-S75 WeakPolarHBondContact O-CB 3.47Å; L71-S75 PolarHBondContact O-N 2.86Å
72	L	83.2	Confident	73.2	Confident	100 Å²	100	112.3 Å²	112.3	52%	0.524	57%	0.566	S	S	.	*	H	α-helix	trans	-66.8	-42	177.9	-132.2	142.9	0	0	0	111.6	L68 I69 I70 S75 I76	L68-L72 WeakPolarHBondContact O-CB 3.46Å; L68-L72 PolarHBondContact O-N 3.15Å; I69-L72 PolarHBondContact O-N 3.27Å; I70-L72 VanDerWaalsContact C-N 3.33Å; I70-L72 PolarHBondContact O-N 2.76Å; L72-S75 PolarHBondContact O-N 2.98Å; L72-I76 HydrophobicContact CD2-CD1 3.84Å; L72-I76 HydrophobicContact CD2-CG1 4.49Å; L72-I76 VanDerWaalsContact O-CG1 3.27Å; L72-I76 WeakPolarHBondContact O-CG1 3.33Å; L72-I76 PolarHBondContact O-N 3.46Å
73	L	82	Confident	74.9	Confident	99 Å²	99	107.6 Å²	107.6	52%	0.518	55%	0.546	S	S	.	.	H	α-helix	trans	-64.7	-43.2	175.2	-73.6	169.2	0	0	0	111.9	I69 I70 I76 C77	I69-L73 HydrophobicContact CG2-CD1 3.87Å; I69-L73 HydrophobicContact CG2-CG 4.38Å; I69-L73 WeakPolarHBondContact O-CB 3.39Å; I69-L73 WeakPolarHBondContact O-CG 2.92Å; I69-L73 PolarHBondContact O-N 3.45Å; I70-L73 PolarHBondContact O-N 2.81Å; L73-I76 PolarHBondContact O-N 3.15Å; L73-C77 WeakPolarHBondContact O-CB 3.37Å; L73-C77 PolarHBondContact O-N 3.28Å; L73-C77 PolarHBondContact O-SG 2.6Å
74	I	82.5	Confident	76.4	Confident	90 Å²	90	106.2 Å²	106.2	46%	0.462	54%	0.537	S	S	.	.	H	α-helix	trans	-62.9	-43.2	175.9	-67.8	166.5	0	0	0	110.6	I70 L71 I76 C77 I78	I70-I74 HydrophobicContact CG2-CD1 3.74Å; I70-I74 HydrophobicContact CG2-CG1 4.42Å; I70-I74 VanDerWaalsContact O-CG1 3.24Å; I70-I74 WeakPolarHBondContact O-CG1 3.02Å; I70-I74 PolarHBondContact O-N 3.41Å; L71-I74 PolarHBondContact O-N 2.86Å; I74-I76 PolarHBondContact O-N 3.36Å; I74-C77 PolarHBondContact O-N 3.5Å; I74-I78 HydrophobicContact CG2-CD1 3.77Å; I74-I78 WeakPolarHBondContact O-CG1 3.42Å; I74-I78 PolarHBondContact O-N 3.27Å; I74-I78 VanDerWaalsContact O-N 3.14Å
75	S	78.7	Confident	77.5	Confident	64 Å²	64	107.5 Å²	107.5	45%	0.448	54%	0.538	S	S	.	.	H	α-helix	trans	-61.1	-43.6	174.9	-100.5	0	0	0	0	112.2	L71 L72 I78 I79	L71-S75 WeakPolarHBondContact O-CB 3.47Å; L71-S75 PolarHBondContact O-N 2.86Å; L72-S75 PolarHBondContact O-N 2.98Å; S75-I78 PolarHBondContact O-N 3.36Å; S75-I79 VanDerWaalsContact O-CB 3.25Å; S75-I79 WeakPolarHBondContact O-CB 3.36Å; S75-I79 WeakPolarHBondContact O-CD1 3.48Å; S75-I79 WeakPolarHBondContact O-CG1 3.35Å; S75-I79 PolarHBondContact O-N 2.91Å
76	I	79.7	Confident	77.9	Confident	79 Å²	79	103.7 Å²	103.7	41%	0.405	53%	0.531	S	S	.	.	H	α-helix	trans	-61.9	-45.4	176.6	-69.9	165.3	0	0	0	110.5	L72 L73 I74 I78 F80	L72-I76 HydrophobicContact CD2-CD1 3.84Å; L72-I76 HydrophobicContact CD2-CG1 4.49Å; L72-I76 VanDerWaalsContact O-CG1 3.27Å; L72-I76 WeakPolarHBondContact O-CG1 3.33Å; L72-I76 PolarHBondContact O-N 3.46Å; L73-I76 PolarHBondContact O-N 3.15Å; I74-I76 PolarHBondContact O-N 3.36Å; I76-I78 VanDerWaalsContact C-N 3.26Å; I76-I78 PolarHBondContact O-N 3.01Å; I76-F80 HydrophobicContact CG2-CD2 4.15Å; I76-F80 WeakPolarHBondContact O-CB 3.27Å; I76-F80 PolarHBondContact O-N 3.23Å; I76-F80 VanDerWaalsContact O-N 3.12Å
77	C	76.2	Confident	77.7	Confident	91 Å²	91	100.9 Å²	100.9	62%	0.615	52%	0.521	S	S	*	.	H	α-helix	trans	-66.1	-21.9	-179.3	-71.5	0	0	0	0	114.4	L73 I74 P81	L73-C77 WeakPolarHBondContact O-CB 3.37Å; L73-C77 PolarHBondContact O-N 3.28Å; L73-C77 PolarHBondContact O-SG 2.6Å; I74-C77 PolarHBondContact O-N 3.5Å; C77-P81 WeakPolarHBondContact O-CD 3.37Å; C77-P81 WeakPolarHBondContact O-CG 3.36Å
78	I	80.2	Confident	77.7	Confident	106 Å²	106	99.5 Å²	99.5	54%	0.544	51%	0.513	S	S	.	.	H	α-helix	trans	-96.9	-40.6	178.9	-63	169.9	0	0	0	111.3	I74 S75 I76 T82	I74-I78 HydrophobicContact CG2-CD1 3.77Å; I74-I78 WeakPolarHBondContact O-CG1 3.42Å; I74-I78 PolarHBondContact O-N 3.27Å; I74-I78 VanDerWaalsContact O-N 3.14Å; S75-I78 PolarHBondContact O-N 3.36Å; I76-I78 VanDerWaalsContact C-N 3.26Å; I76-I78 PolarHBondContact O-N 3.01Å; I78-T82 WeakPolarHBondContact O-CG2 3.27Å; I78-T82 PolarHBondContact O-OG1 2.88Å
79	I	79.8	Confident	77	Confident	83 Å²	83	96.9 Å²	96.9	43%	0.426	50%	0.502	S	S	.	.	H	α-helix	trans	-75.8	-39.6	-174	-64.7	168.2	0	0	0	111.2	S75 T82 I83	S75-I79 VanDerWaalsContact O-CB 3.25Å; S75-I79 WeakPolarHBondContact O-CB 3.36Å; S75-I79 WeakPolarHBondContact O-CD1 3.48Å; S75-I79 WeakPolarHBondContact O-CG1 3.35Å; S75-I79 PolarHBondContact O-N 2.91Å; I79-T82 WeakPolarHBondContact CA-OG1 3.4Å; I79-T82 PolarHBondContact O-N 2.78Å; I79-T82 PolarHBondContact O-OG1 2.93Å; I79-I83 HydrophobicContact CG2-CD1 3.5Å; I79-I83 HydrophobicContact CG2-CG1 4.15Å; I79-I83 WeakPolarHBondContact O-CB 3.25Å; I79-I83 VanDerWaalsContact O-CG1 3.31Å; I79-I83 WeakPolarHBondContact O-CG1 3.49Å; I79-I83 PolarHBondContact O-N 3.22Å
80	F	72	Confident	75.7	Confident	148 Å²	148	100.4 Å²	100.4	65%	0.649	52%	0.515	S	S	*	.	H	α-helix	trans	-65.5	-46.2	-178.3	-103.4	-94.7	0	0	0	113.7	I76 T82 I83 Y84	I76-F80 HydrophobicContact CG2-CD2 4.15Å; I76-F80 WeakPolarHBondContact O-CB 3.27Å; I76-F80 PolarHBondContact O-N 3.23Å; I76-F80 VanDerWaalsContact O-N 3.12Å; F80-T82 VanDerWaalsContact C-N 3.32Å; F80-T82 PolarHBondContact O-N 3.18Å; F80-I83 PolarHBondContact O-N 2.96Å; F80-Y84 VanDerWaalsContact O-CB 3.29Å; F80-Y84 WeakPolarHBondContact O-CB 3.49Å; F80-Y84 PolarHBondContact O-N 3.42Å
81	P	74.3	Confident	74.8	Confident	72 Å²	72	101.7 Å²	101.7	47%	0.468	52%	0.521	S	S	.	.	H	α-helix	trans	-65.6	-35.1	178.1	-23.7	35.2	0	0	0	112.8	C77 Y84 F85	C77-P81 WeakPolarHBondContact O-CD 3.37Å; C77-P81 WeakPolarHBondContact O-CG 3.36Å; P81-Y84 PolarHBondContact O-N 3.49Å; P81-F85 VanDerWaalsContact O-CB 3.31Å; P81-F85 WeakPolarHBondContact O-CB 3.36Å; P81-F85 PolarHBondContact O-N 2.87Å
82	T	76.9	Confident	73.2	Confident	73 Å²	73	100.4 Å²	100.4	45%	0.448	51%	0.512	S	S	.	.	H	α-helix	trans	-70.8	-41.9	178.6	44.9	0	0	0	0	112	I78 I79 F80 F85 L86	I78-T82 WeakPolarHBondContact O-CG2 3.27Å; I78-T82 PolarHBondContact O-OG1 2.88Å; I79-T82 WeakPolarHBondContact CA-OG1 3.4Å; I79-T82 PolarHBondContact O-N 2.78Å; I79-T82 PolarHBondContact O-OG1 2.93Å; F80-T82 VanDerWaalsContact C-N 3.32Å; F80-T82 PolarHBondContact O-N 3.18Å; T82-F85 PolarHBondContact O-N 3.42Å; T82-L86 WeakPolarHBondContact O-CB 3.38Å; T82-L86 WeakPolarHBondContact O-CG 3.24Å; T82-L86 PolarHBondContact O-N 3.25Å
83	I	77.3	Confident	71.3	Confident	89 Å²	89	100.2 Å²	100.2	46%	0.456	52%	0.518	S	S	.	.	H	α-helix	trans	-62.9	-44	171.7	-68	174.1	0	0	0	110.4	I79 F80 F85 L86 C87	I79-I83 HydrophobicContact CG2-CD1 3.5Å; I79-I83 HydrophobicContact CG2-CG1 4.15Å; I79-I83 WeakPolarHBondContact O-CB 3.25Å; I79-I83 VanDerWaalsContact O-CG1 3.31Å; I79-I83 WeakPolarHBondContact O-CG1 3.49Å; I79-I83 PolarHBondContact O-N 3.22Å; F80-I83 PolarHBondContact O-N 2.96Å; I83-F85 VanDerWaalsContact C-N 3.34Å; I83-F85 PolarHBondContact O-N 3.1Å; I83-L86 PolarHBondContact O-N 2.92Å; I83-C87 WeakPolarHBondContact O-CB 3.23Å; I83-C87 PolarHBondContact O-N 3.22Å; I83-C87 PolarHBondContact O-SG 2.72Å; I83-C87 VanDerWaalsContact O-SG 3.38Å
84	Y	78.5	Confident	69.2	Low	160 Å²	160	101.2 Å²	101.2	63%	0.627	52%	0.519	S	S	*	.	H	α-helix	trans	-59.7	-44.7	177	-175.3	-94	0	0	0	111.6	F80 P81 C87 Y88	F80-Y84 VanDerWaalsContact O-CB 3.29Å; F80-Y84 WeakPolarHBondContact O-CB 3.49Å; F80-Y84 PolarHBondContact O-N 3.42Å; P81-Y84 PolarHBondContact O-N 3.49Å; Y84-C87 PolarHBondContact O-N 3.32Å; Y84-Y88 WeakPolarHBondContact O-CB 3.42Å; Y84-Y88 PolarHBondContact O-N 2.97Å
85	F	74.5	Confident	67.2	Low	142 Å²	142	100 Å²	100	62%	0.623	52%	0.516	S	S	*	.	H	α-helix	trans	-67	-38.7	178.6	-153.5	-87.9	0	0	0	112.3	P81 T82 I83 Y88 T89	P81-F85 VanDerWaalsContact O-CB 3.31Å; P81-F85 WeakPolarHBondContact O-CB 3.36Å; P81-F85 PolarHBondContact O-N 2.87Å; T82-F85 PolarHBondContact O-N 3.42Å; I83-F85 VanDerWaalsContact C-N 3.34Å; I83-F85 PolarHBondContact O-N 3.1Å; F85-Y88 PolarHBondContact O-N 2.92Å; F85-T89 HydrophobicContact CD1-CG2 4.02Å; F85-T89 HydrophobicContact CE1-CG2 3.92Å; F85-T89 WeakPolarHBondContact O-CB 2.98Å; F85-T89 WeakPolarHBondContact O-CG2 3.13Å; F85-T89 PolarHBondContact O-N 3.34Å; F85-T89 PolarHBondContact O-OG1 2.98Å
86	L	70.4	Confident	65.1	Low	120 Å²	120	102.8 Å²	102.8	63%	0.628	53%	0.526	S	S	*	.	H	α-helix	trans	-66.6	-43.9	174.3	-75.9	167.5	0	0	0	111.6	T82 I83 T89 F90	T82-L86 WeakPolarHBondContact O-CB 3.38Å; T82-L86 WeakPolarHBondContact O-CG 3.24Å; T82-L86 PolarHBondContact O-N 3.25Å; I83-L86 PolarHBondContact O-N 2.92Å; L86-T89 WeakPolarHBondContact CA-OG1 3.44Å; L86-T89 PolarHBondContact O-OG1 3.47Å; L86-F90 WeakPolarHBondContact O-CB 3.21Å; L86-F90 PolarHBondContact O-N 2.99Å
87	C	69.3	Low	62.8	Low	67 Å²	67	105.4 Å²	105.4	45%	0.453	54%	0.541	S	S	.	.	H	α-helix	trans	-63.7	-42.8	174.7	-73.5	0	0	0	0	111.6	I83 Y84 F90 I91	I83-C87 WeakPolarHBondContact O-CB 3.23Å; I83-C87 PolarHBondContact O-N 3.22Å; I83-C87 PolarHBondContact O-SG 2.72Å; I83-C87 VanDerWaalsContact O-SG 3.38Å; Y84-C87 PolarHBondContact O-N 3.32Å; C87-F90 PolarHBondContact O-N 3.49Å; C87-I91 WeakPolarHBondContact O-CB 3.36Å; C87-I91 WeakPolarHBondContact O-CD1 3.47Å; C87-I91 WeakPolarHBondContact O-CG1 3.45Å; C87-I91 PolarHBondContact O-N 2.94Å
88	Y	72.3	Confident	60.5	Low	118 Å²	118	107.7 Å²	107.7	46%	0.463	55%	0.546	S	S	.	.	H	α-helix	trans	-63.3	-45.1	179	-171.9	-94.9	0	0	0	111.9	Y84 F85 I91 H92	Y84-Y88 WeakPolarHBondContact O-CB 3.42Å; Y84-Y88 PolarHBondContact O-N 2.97Å; F85-Y88 PolarHBondContact O-N 2.92Å; Y88-I91 PolarHBondContact O-N 3.44Å; Y88-H92 AromaticContact CE1-CD2 3.46Å; Y88-H92 VanDerWaalsContact CE1-CD2 3.46Å; Y88-H92 WeakPolarHBondContact CE1-CD2 3.22Å; Y88-H92 AromaticContact CZ-CD2 3.46Å; Y88-H92 VanDerWaalsContact CZ-CD2 3.46Å; Y88-H92 AromaticContact CZ-NE2 3.59Å; Y88-H92 WeakPolarHBondContact O-CB 3.49Å; Y88-H92 PolarHBondContact O-N 3.02Å; Y88-H92 PolarHBondContact OH-NE2 3.36Å
89	T	63.1	Low	58	Low	56 Å²	56	110.8 Å²	110.8	34%	0.344	56%	0.56	S	S	.	*	H	α-helix	trans	-66.8	-38	176.4	47.6	0	0	0	0	112.4	F85 L86 H92 C93	F85-T89 HydrophobicContact CD1-CG2 4.02Å; F85-T89 HydrophobicContact CE1-CG2 3.92Å; F85-T89 WeakPolarHBondContact O-CB 2.98Å; F85-T89 WeakPolarHBondContact O-CG2 3.13Å; F85-T89 PolarHBondContact O-N 3.34Å; F85-T89 PolarHBondContact O-OG1 2.98Å; L86-T89 WeakPolarHBondContact CA-OG1 3.44Å; L86-T89 PolarHBondContact O-OG1 3.47Å; T89-H92 PolarHBondContact O-N 3.38Å; T89-C93 WeakPolarHBondContact O-CB 3.22Å; T89-C93 PolarHBondContact O-N 2.03Å
90	F	55.4	Low	55.5	Low	150 Å²	150	113.8 Å²	113.8	66%	0.658	58%	0.578	S	S	*	*	H	α-helix	trans	-66.9	-42.5	176.8	-138.2	-89.7	0	0	0	112.2	L86 C87 H94	L86-F90 WeakPolarHBondContact O-CB 3.21Å; L86-F90 PolarHBondContact O-N 2.99Å; C87-F90 PolarHBondContact O-N 3.49Å; F90-H94 PolarHBondContact O-N 3.41Å
91	I	61.8	Low	53.2	Low	111 Å²	111	113.2 Å²	113.2	57%	0.569	58%	0.581	S	S	*	*	H	α-helix	trans	-64.4	-44.1	177.2	-68.6	165.4	0	0	0	110.2	C87 Y88 H94 T95	C87-I91 WeakPolarHBondContact O-CB 3.36Å; C87-I91 WeakPolarHBondContact O-CD1 3.47Å; C87-I91 WeakPolarHBondContact O-CG1 3.45Å; C87-I91 PolarHBondContact O-N 2.94Å; Y88-I91 PolarHBondContact O-N 3.44Å; I91-H94 PolarHBondContact O-N 2.9Å; I91-T95 WeakPolarHBondContact O-CG2 3.42Å; I91-T95 PolarHBondContact O-N 3.14Å; I91-T95 VanDerWaalsContact O-N 3.13Å; I91-T95 PolarHBondContact O-OG1 2.91Å
92	H	48.8	Very low	50.9	Low	90 Å²	90	117.2 Å²	117.2	42%	0.417	60%	0.599	S	S	.	*	H	α-helix	trans	-73.9	-31.9	-179.1	-96.2	-23.7	0	0	0	115	Y88 T89 H94 T95 N96	Y88-H92 AromaticContact CE1-CD2 3.46Å; Y88-H92 VanDerWaalsContact CE1-CD2 3.46Å; Y88-H92 WeakPolarHBondContact CE1-CD2 3.22Å; Y88-H92 AromaticContact CZ-CD2 3.46Å; Y88-H92 VanDerWaalsContact CZ-CD2 3.46Å; Y88-H92 AromaticContact CZ-NE2 3.59Å; Y88-H92 WeakPolarHBondContact O-CB 3.49Å; Y88-H92 PolarHBondContact O-N 3.02Å; Y88-H92 PolarHBondContact OH-NE2 3.36Å; T89-H92 PolarHBondContact O-N 3.38Å; H92-H94 VanDerWaalsContact C-N 3.31Å; H92-T95 WeakPolarHBondContact CA-OG1 3.47Å; H92-T95 PolarHBondContact O-OG1 2.91Å; H92-N96 PolarHBondContact O-N 3.19Å
93	C	43.4	Very low	48.4	Very low	96 Å²	96	120.1 Å²	120.1	65%	0.649	61%	0.612	S	S	*	*	H	α-helix	trans	-67.6	-32.7	171.8	-87	0	0	0	0	112.1	T89	T89-C93 WeakPolarHBondContact O-CB 3.22Å; T89-C93 PolarHBondContact O-N 2.03Å
94	H	39.2	Very low	45.7	Very low	121 Å²	121	122.4 Å²	122.4	56%	0.56	62%	0.624	S	S	*	*	H	α-helix	trans	-79.2	-29.7	179.3	-120.9	-59.1	0	0	0	113.7	F90 I91 H92	F90-H94 PolarHBondContact O-N 3.41Å; I91-H94 PolarHBondContact O-N 2.9Å; H92-H94 VanDerWaalsContact C-N 3.31Å
95	T	40.6	Very low	43.1	Very low	64 Å²	64	121.6 Å²	121.6	39%	0.393	63%	0.631	S	S	.	*	H	α-helix	trans	-73.1	-30.4	177.2	50.1	0	0	0	0	113.2	I91 H92 N97 L98	I91-T95 WeakPolarHBondContact O-CG2 3.42Å; I91-T95 PolarHBondContact O-N 3.14Å; I91-T95 VanDerWaalsContact O-N 3.13Å; I91-T95 PolarHBondContact O-OG1 2.91Å; H92-T95 WeakPolarHBondContact CA-OG1 3.47Å; H92-T95 PolarHBondContact O-OG1 2.91Å; T95-N97 VanDerWaalsContact C-N 3.35Å; T95-N97 PolarHBondContact O-N 2.77Å; T95-L98 PolarHBondContact O-N 2.7Å
96	N	34.1	Very low	40.7	Very low	122 Å²	122	120.9 Å²	120.9	65%	0.652	63%	0.634	S	S	*	*	H	α-helix	trans	-74.2	-22.1	-179.5	-79.8	-10.2	0	0	0	113.9	H92	H92-N96 PolarHBondContact O-N 3.19Å
97	N	30.2	Very low	38.3	Very low	134 Å²	134	120.7 Å²	120.7	72%	0.717	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-11.9	175.4	-90.5	-16.2	0	0	0	114.2	T95	T95-N97 VanDerWaalsContact C-N 3.35Å; T95-N97 PolarHBondContact O-N 2.77Å
98	L	27.9	Very low	36	Very low	140 Å²	140	123.2 Å²	123.2	73%	0.733	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-9.6	-180	-86.2	157.7	0	0	0	114.1	T95	T95-L98 PolarHBondContact O-N 2.7Å
99	M	28.9	Very low	33.5	Very low	170 Å²	170	128.1 Å²	128.1	84%	0.837	67%	0.67	S	S	*	*	S	Bend	trans	-98.3	-4.6	-178.4	-81.9	-88.5	-147	0	0	114.9
100	N	26.9	Very low	31.7	Very low	147 Å²	147	133.4 Å²	133.4	79%	0.786	70%	0.695	S	S	*	*	S	Bend	trans	-102.1	11.8	-176	-104.4	1.1	0	0	0	115.8
101	N	23.6	Very low	29.9	Very low	136 Å²	136	134.7 Å²	134.7	73%	0.727	70%	0.7	S	S	*	*			trans	-120.8	80.3	173.4	-83.4	-18.5	0	0	0	110.6
102	N	27.2	Very low	27.9	Very low	156 Å²	156	134.1 Å²	134.1	83%	0.834	71%	0.706	S	S	*	*			trans	-155.8	82.8	146.6	-94.2	-25.3	0	0	0	109.8
103	N	24.2	Very low	26.7	Very low	134 Å²	134	137 Å²	137	72%	0.717	72%	0.724	S	S	*	*			trans	22.9	115.9	132.2	-70.6	-29.3	0	0	0	116.6
104	N	20.6	Very low	25.7	Very low	136 Å²	136	139.8 Å²	139.8	73%	0.727	73%	0.731	S	S	*	*				50.8	103.1	88.2	-77	-19.8	0	0	0	112.4
105	N	24	Very low	25	Very low	143 Å²	143	141.2 Å²	141.2	77%	0.765	74%	0.742	S	S	*	*				-178.2	119	119.9	-89.1	-22.7	0	0	0	111.9
106	N	22.5	Very low	24	Very low	128 Å²	128	144 Å²	144	68%	0.684	76%	0.759	S	S	*	*				70.3	110	126.5	-70.8	-8.8	0	0	0	121.2
107	T	21.3	Very low	23.5	Very low	116 Å²	116	143.3 Å²	143.3	71%	0.712	76%	0.763	S	S	*	*				59.1	139	121.2	63.4	0	0	0	0	118.2
108	T	21.3	Very low	23.1	Very low	120 Å²	120	146.3 Å²	146.3	74%	0.736	77%	0.773	S	S	*	*			cis	-172.7	148.1	38.1	-15.3	0	0	0	0	107.6	I110	T108-I110 PolarHBondContact O-N 2.92Å
109	Y	19.6	Very low	23	Very low	220 Å²	220	145 Å²	145	86%	0.863	78%	0.775	S	S	*	*			trans	-50.7	128.4	167.2	-81.3	-101.6	0	0	0	112.6
110	I	23.7	Very low	22.6	Very low	167 Å²	167	144 Å²	144	86%	0.856	77%	0.774	S	S	*	*			trans	-108.6	100.4	158.6	-65.1	175.6	0	0	0	107.2	T108	T108-I110 PolarHBondContact O-N 2.92Å
111	K	18.3	Very low	22.5	Very low	178 Å²	178	145.3 Å²	145.3	77%	0.774	78%	0.775	S	S	*	*			trans	-86.7	156.9	157.3	-94.8	180	173.2	178.7	0	108.4
112	S	20.6	Very low	22.6	Very low	98 Å²	98	145.5 Å²	145.5	69%	0.685	78%	0.775	S	S	*	*			trans	70.7	112.2	166.7	65.1	0	0	0	0	118.2
113	N	23.9	Very low	22.4	Very low	150 Å²	150	147.2 Å²	147.2	80%	0.802	78%	0.778	S	S	*	*				-151.5	109.2	107.6	-91.1	-21.5	0	0	0	110.6
114	I	20.8	Very low	22.5	Very low	156 Å²	156	148.6 Å²	148.6	80%	0.8	79%	0.785	S	S	*	*			trans	-75.8	116.5	163.3	-69.5	164.7	0	0	0	105.5	T116	I114-T116 HydrophobicContact CG2-CG2 4.26Å
115	I	24.1	Very low	22.8	Very low	151 Å²	151	145.6 Å²	145.6	77%	0.774	78%	0.775	S	S	*	*			trans	-109.9	111.3	162.4	-67.3	176.7	0	0	0	106.7
116	T	20	Very low	22.8	Very low	123 Å²	123	145.7 Å²	145.7	76%	0.755	77%	0.774	S	S	*	*			trans	-68.8	120	166.2	47.1	0	0	0	0	109.5	I114	I114-T116 HydrophobicContact CG2-CG2 4.26Å
117	S	24.2	Very low	22.9	Very low	106 Å²	106	147.3 Å²	147.3	74%	0.741	78%	0.782	S	S	*	*			trans	-129.7	112.3	155.5	62.2	0	0	0	0	108.1	S119	S117-S119 PolarHBondContact O-N 2.61Å
118	E	21	Very low	23	Very low	198 Å²	198	145.8 Å²	145.8	93%	0.925	78%	0.776	S	S	*	*			trans	-59.1	118.4	172.9	-63.9	168.4	145.2	0	0	110.4
119	S	25.5	Very low	23.1	Very low	111 Å²	111	144.6 Å²	144.6	78%	0.776	77%	0.773	S	S	*	*			trans	-147.3	103.8	146.9	54.7	0	0	0	0	108.6	S117 H121	S117-S119 PolarHBondContact O-N 2.61Å; S119-H121 PolarHBondContact O-N 3.45Å
120	N	21.8	Very low	23.4	Very low	151 Å²	151	140.3 Å²	140.3	81%	0.807	76%	0.763	S	S	*	*			trans	-49.7	119.2	164.1	-74.2	-41.1	0	0	0	109.2
121	H	25.3	Very low	23.3	Very low	174 Å²	174	138.5 Å²	138.5	81%	0.806	76%	0.755	S	S	*	*	S	Bend	trans	179.1	117.1	130.3	-90.8	-58.9	0	0	0	109.6	S119	S119-H121 PolarHBondContact O-N 3.45Å
122	N	24.3	Very low	23.4	Very low	139 Å²	139	137.1 Å²	137.1	74%	0.743	76%	0.757	S	S	*	*			trans	62.1	68.1	161	-60.3	-8.3	0	0	0	117.2	D124	N122-D124 VanDerWaalsContact C-N 3.25Å; N122-D124 PolarHBondContact O-N 2.95Å; N122-D124 VanDerWaalsContact O-N 3.09Å
123	H	24.6	Very low	23.5	Very low	192 Å²	192	137.6 Å²	137.6	89%	0.889	75%	0.752	S	S	*	*			trans	-68.1	86.7	144.9	-87.3	-77.8	0	0	0	108.7
124	D	25.7	Very low	23.5	Very low	163 Å²	163	140.9 Å²	140.9	87%	0.872	75%	0.754	S	S	*	*	S	Bend	trans	-176.3	49.6	156.8	-92.1	-20.5	0	0	0	110.8	N122	N122-D124 VanDerWaalsContact C-N 3.25Å; N122-D124 PolarHBondContact O-N 2.95Å; N122-D124 VanDerWaalsContact O-N 3.09Å
125	S	25.7	Very low	23.6	Very low	74 Å²	74	139.2 Å²	139.2	52%	0.517	75%	0.747	S	S	.	*	S	Bend	trans	-149	1.8	172.1	62.9	0	0	0	0	116.2
126	I	25.5	Very low	23.7	Very low	144 Å²	144	137.6 Å²	137.6	74%	0.738	74%	0.739	S	S	*	*	S	Bend	trans	-98.2	-12	179.5	-63.4	176.2	0	0	0	112.7
127	L	22.8	Very low	23.9	Very low	163 Å²	163	137.7 Å²	137.7	85%	0.853	74%	0.735	S	S	*	*	S	Bend	trans	-108.9	-0	175.8	-96	125	0	0	0	114.8
128	S	23.4	Very low	24.1	Very low	83 Å²	83	136.5 Å²	136.5	58%	0.58	72%	0.72	S	S	*	*	S	Bend	trans	-100.6	-1.7	174.1	55.8	0	0	0	0	114.2
129	S	24.4	Very low	24.4	Very low	96 Å²	96	128.6 Å²	128.6	67%	0.671	69%	0.687	S	S	*	*	S	Bend	trans	-91.3	3	175.7	56	0	0	0	0	114.7
130	I	24.9	Very low	24.6	Very low	129 Å²	129	132 Å²	132	66%	0.662	68%	0.684	S	S	*	*	S	Bend	trans	-102.3	-12.6	175.7	-64.8	175.8	0	0	0	112.5
131	N	21.5	Very low	25.1	Very low	129 Å²	129	128.5 Å²	128.5	69%	0.69	67%	0.665	S	S	*	*	S	Bend	trans	-120.3	90.6	177.3	-83	-21.4	0	0	0	110.4
132	N	21.7	Very low	25	Very low	150 Å²	150	124 Å²	124	80%	0.802	65%	0.646	S	S	*	*	S	Bend	trans	162.9	137.8	136.7	-80.7	-26.1	0	0	0	108.6
133	N	23.2	Very low	25.1	Very low	108 Å²	108	121.8 Å²	121.8	58%	0.578	64%	0.64	S	S	*	*			trans	77.4	66.2	175.2	-54.7	-10.3	0	0	0	115.8	N135 D218	N133-N135 PolarHBondContact O-N 3.49Å; N133-D218 PolarHBondContact ND2-OD2 3.21Å
134	Y	22.5	Very low	25.1	Very low	218 Å²	218	117.5 Å²	117.5	86%	0.855	63%	0.631	S	S	*	*			trans	-65.6	74.4	142.2	-79.1	-84.7	0	0	0	108.2	I136	Y134-I136 PolarHBondContact O-N 2.99Å
135	N	24.1	Very low	25.4	Very low	122 Å²	122	112.8 Å²	112.8	65%	0.652	61%	0.605	S	S	*	*			trans	-60.3	131.6	158.2	-88.1	-35	0	0	0	106.8	N133 D137	N133-N135 PolarHBondContact O-N 3.49Å; N135-D137 PolarHBondContact O-N 3.45Å
136	I	26.1	Very low	25.5	Very low	116 Å²	116	116.9 Å²	116.9	60%	0.595	62%	0.616	S	S	*	*			trans	-37.6	107.6	174.9	-63.4	164.9	0	0	0	108.4	Y134 N138	Y134-I136 PolarHBondContact O-N 2.99Å; I136-N138 PolarHBondContact O-N 2.98Å
137	D	24.6	Very low	25.9	Very low	126 Å²	126	113.5 Å²	113.5	67%	0.674	60%	0.602	S	S	*	*			trans	-71	88.7	-178.3	-157.7	20.4	0	0	0	106.9	N135 S139	N135-D137 PolarHBondContact O-N 3.45Å; D137-S139 PolarHBondContact O-N 2.89Å; D137-S139 PolarHBondContact OD1-OG 3.27Å; D137-S139 PolarHBondContact OD2-OG 3.47Å
138	N	27	Very low	26.6	Very low	81 Å²	81	107.8 Å²	107.8	43%	0.433	57%	0.572	S	S	.	*	G	3₁₀ helix	trans	-70.6	16.6	175.7	-80.8	-31.2	0	0	0	111.6	I136 Y140 L141 N142	I136-N138 PolarHBondContact O-N 2.98Å; N138-Y140 PolarHBondContact O-N 2.94Å; N138-Y140 VanDerWaalsContact O-N 3.11Å; N138-L141 PolarHBondContact O-N 3.46Å; N138-N142 PolarHBondContact O-N 2.95Å
139	S	26.9	Very low	27.6	Very low	32 Å²	32	109.6 Å²	109.6	22%	0.224	58%	0.575	C	S	.	*	G	3₁₀ helix	trans	-60	-14.4	176.3	55.4	0	0	0	0	114	D137 N142	D137-S139 PolarHBondContact O-N 2.89Å; D137-S139 PolarHBondContact OD1-OG 3.27Å; D137-S139 PolarHBondContact OD2-OG 3.47Å; S139-N142 CarbonylContact C-O 3.51Å; S139-N142 VanDerWaalsContact CA-O 3.28Å; S139-N142 WeakPolarHBondContact CA-O 3.33Å; S139-N142 CarbonylContact O-C 2.99Å
140	Y	31.5	Very low	28.6	Very low	182 Å²	182	110.7 Å²	110.7	71%	0.714	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-94.3	-21.7	171.7	-67.4	-82.1	0	0	0	114	N138	N138-Y140 PolarHBondContact O-N 2.94Å; N138-Y140 VanDerWaalsContact O-N 3.11Å
141	L	30.7	Very low	29.6	Very low	78 Å²	78	110.1 Å²	110.1	41%	0.408	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.1	-20.1	175	-74.6	170.4	0	0	0	112.2	N138 Y336 L340 F363	N138-L141 PolarHBondContact O-N 3.46Å; L141-Y336 HydrophobicContact CD2-CE1 4.08Å; L141-L340 HydrophobicContact CD1-CD1 4.29Å; L141-L340 HydrophobicContact CD2-CD1 4.33Å; L141-F363 HydrophobicContact CD1-CE2 4.15Å; L141-F363 HydrophobicContact CD1-CZ 4.42Å
142	N	24.7	Very low	30.9	Very low	79 Å²	79	108.2 Å²	108.2	42%	0.422	56%	0.555	S	S	.	*	S	Bend	trans	-126.8	112.1	161.2	-92.4	-37.4	0	0	0	105	N138 S139 S144	N138-N142 PolarHBondContact O-N 2.95Å; S139-N142 CarbonylContact C-O 3.51Å; S139-N142 VanDerWaalsContact CA-O 3.28Å; S139-N142 WeakPolarHBondContact CA-O 3.33Å; S139-N142 CarbonylContact O-C 2.99Å; N142-S144 PolarHBondContact O-N 3.38Å; N142-S144 VanDerWaalsContact O-N 3.07Å
143	P	25.7	Very low	32.1	Very low	93 Å²	93	103.1 Å²	103.1	60%	0.604	53%	0.525	S	S	*	.			trans	-48	130.5	163.3	22.7	-30.8	0	0	0	105.8	I145	P143-I145 HydrophobicContact CG-CG1 4.39Å; P143-I145 WeakPolarHBondContact O-CG1 3.46Å; P143-I145 PolarHBondContact O-N 2.94Å
144	S	24.1	Very low	33.3	Very low	101 Å²	101	101.9 Å²	101.9	71%	0.706	52%	0.518	S	S	*	.			trans	-58.2	86.6	179.5	46.5	0	0	0	0	109	N142 Q146	N142-S144 PolarHBondContact O-N 3.38Å; N142-S144 VanDerWaalsContact O-N 3.07Å; S144-Q146 PolarHBondContact O-N 3.35Å; S144-Q146 VanDerWaalsContact O-N 3.07Å
145	I	31.4	Very low	34.6	Very low	65 Å²	65	94.1 Å²	94.1	33%	0.333	50%	0.496	S	S	.	.			trans	-75.7	99	178.6	-67.7	158	0	0	0	105.1	P143 T147	P143-I145 HydrophobicContact CG-CG1 4.39Å; P143-I145 WeakPolarHBondContact O-CG1 3.46Å; P143-I145 PolarHBondContact O-N 2.94Å; I145-T147 VanDerWaalsContact C-N 3.32Å; I145-T147 HydrophobicContact CG2-CG2 4.31Å; I145-T147 PolarHBondContact O-N 3.39Å
146	Q	29	Very low	35.8	Very low	160 Å²	160	91.7 Å²	91.7	75%	0.748	48%	0.482	S	S	*	.			trans	-64.4	99.4	161.7	-75.3	-175.6	-12.9	0	0	107.4	S144 I148	S144-Q146 PolarHBondContact O-N 3.35Å; S144-Q146 VanDerWaalsContact O-N 3.07Å; Q146-I148 HydrophobicContact CB-CG1 4.32Å; Q146-I148 PolarHBondContact O-N 2.93Å
147	T	33.2	Very low	36.6	Very low	72 Å²	72	91.5 Å²	91.5	44%	0.442	48%	0.477	S	S	.	.			trans	-68.7	106.8	159.9	46.5	0	0	0	0	106.8	I145	I145-T147 VanDerWaalsContact C-N 3.32Å; I145-T147 HydrophobicContact CG2-CG2 4.31Å; I145-T147 PolarHBondContact O-N 3.39Å
148	I	38.4	Very low	37.5	Very low	43 Å²	43	93.3 Å²	93.3	22%	0.221	48%	0.481	C	S	.	.			trans	-87.2	134	178.6	-70.4	164.6	0	0	0	109.1	Q146 E152 K637	Q146-I148 HydrophobicContact CB-CG1 4.32Å; Q146-I148 PolarHBondContact O-N 2.93Å; I148-E152 WeakPolarHBondContact CD1-OE2 3.48Å; I148-E152 HydrophobicContact CG2-CB 3.21Å; I148-E152 HydrophobicContact CG2-CG 4Å; I148-E152 VanDerWaalsContact CG2-OE2 3.26Å; I148-E152 WeakPolarHBondContact CG2-OE2 3.24Å; I148-K637 VanDerWaalsContact CD1-NZ 3.33Å
149	N	43.3	Very low	38.2	Very low	121 Å²	121	95.7 Å²	95.7	65%	0.647	49%	0.494	S	S	*	.			trans	-63.7	145	172.2	-87.1	-14.2	0	0	0	110.4	D151 E152	N149-D151 PolarHBondContact O-N 3.35Å; N149-E152 PolarHBondContact O-N 3.33Å
150	E	46	Very low	38.8	Very low	119 Å²	119	98.2 Å²	98.2	56%	0.556	51%	0.505	S	S	*	.	H	α-helix	trans	-50.7	-22.5	176.8	-70.6	-179.7	156.6	0	0	113.8	E152 Y153 N154	E150-E152 VanDerWaalsContact C-N 3.31Å; E150-E152 PolarHBondContact O-N 3.5Å; E150-Y153 WeakPolarHBondContact O-CB 3.27Å; E150-Y153 PolarHBondContact O-N 3.27Å; E150-N154 PolarHBondContact O-N 3.31Å; E150-N154 PolarHBondContact O-ND2 3.14Å
151	D	45.4	Very low	39.2	Very low	118 Å²	118	97 Å²	97	63%	0.631	51%	0.511	S	S	*	.	H	α-helix	trans	-58.3	-36	174.6	-59.4	-36.4	0	0	0	113.6	N149 N154 S155	N149-D151 PolarHBondContact O-N 3.35Å; D151-N154 PolarHBondContact O-N 2.77Å; D151-S155 PolarHBondContact O-N 2.98Å
152	E	49.1	Very low	40.1	Very low	88 Å²	88	97.5 Å²	97.5	41%	0.411	51%	0.514	S	S	.	.	H	α-helix	trans	-77	-28.5	177.8	-120.6	-172.3	-130.7	0	0	112.1	I148 N149 E150 N154 S155 I156 K637	I148-E152 WeakPolarHBondContact CD1-OE2 3.48Å; I148-E152 HydrophobicContact CG2-CB 3.21Å; I148-E152 HydrophobicContact CG2-CG 4Å; I148-E152 VanDerWaalsContact CG2-OE2 3.26Å; I148-E152 WeakPolarHBondContact CG2-OE2 3.24Å; N149-E152 PolarHBondContact O-N 3.33Å; E150-E152 VanDerWaalsContact C-N 3.31Å; E150-E152 PolarHBondContact O-N 3.5Å; E152-N154 VanDerWaalsContact C-N 3.35Å; E152-S155 PolarHBondContact O-N 2.92Å; E152-S155 PolarHBondContact O-OG 3.12Å; E152-I156 WeakPolarHBondContact O-CG1 3.2Å; E152-I156 PolarHBondContact O-N 3.45Å; E152-K637 IonicContact OE2-NZ 3.27Å; E152-K637 PolarHBondContact OE2-NZ 3.12Å
153	Y	46.6	Very low	42	Very low	43 Å²	43	102.2 Å²	102.2	17%	0.169	54%	0.539	C	S	.	.	H	α-helix	trans	-68.1	-39.1	170.3	174.9	-98.3	0	0	0	110.9	E150 S155 I156 K157 D167 F168	E150-Y153 WeakPolarHBondContact O-CB 3.27Å; E150-Y153 PolarHBondContact O-N 3.27Å; Y153-S155 VanDerWaalsContact C-N 3.28Å; Y153-S155 PolarHBondContact O-N 3.29Å; Y153-I156 PolarHBondContact O-N 2.95Å; Y153-K157 PolarHBondContact O-N 2.74Å; Y153-D167 WeakPolarHBondContact OH-CA 3.36Å; Y153-D167 PolarHBondContact OH-OD1 2.92Å; Y153-F168 AromaticContact CE2-CE2 3.9Å; Y153-F168 HydrophobicContact CE2-CE2 3.9Å
154	N	49.7	Very low	44.1	Very low	82 Å²	82	99.8 Å²	99.8	44%	0.439	52%	0.521	S	S	.	.	H	α-helix	trans	-64.5	-31.6	176.3	-70.6	-34.7	0	0	0	112.4	E150 D151 E152 K157 Q158	E150-N154 PolarHBondContact O-N 3.31Å; E150-N154 PolarHBondContact O-ND2 3.14Å; D151-N154 PolarHBondContact O-N 2.77Å; E152-N154 VanDerWaalsContact C-N 3.35Å; N154-K157 WeakPolarHBondContact O-CB 3.46Å; N154-K157 PolarHBondContact O-N 3.44Å; N154-Q158 PolarHBondContact O-N 3.22Å
155	S	49.3	Very low	46.8	Very low	55 Å²	55	97 Å²	97	39%	0.385	50%	0.498	S	S	.	.	H	α-helix	trans	-70.1	-36.1	175	75.5	0	0	0	0	112.8	D151 E152 Y153 K157 Q158 N159	D151-S155 PolarHBondContact O-N 2.98Å; E152-S155 PolarHBondContact O-N 2.92Å; E152-S155 PolarHBondContact O-OG 3.12Å; Y153-S155 VanDerWaalsContact C-N 3.28Å; Y153-S155 PolarHBondContact O-N 3.29Å; S155-K157 VanDerWaalsContact C-N 3.26Å; S155-K157 PolarHBondContact O-N 2.88Å; S155-Q158 PolarHBondContact O-N 2.99Å; S155-N159 PolarHBondContact O-N 3.27Å
156	I	48.3	Very low	49.2	Very low	72 Å²	72	95.3 Å²	95.3	37%	0.369	49%	0.49	S	S	.	.	H	α-helix	trans	-61.2	-38.6	171.9	-64	168	0	0	0	110.6	E152 Y153 Q158 N159	E152-I156 WeakPolarHBondContact O-CG1 3.2Å; E152-I156 PolarHBondContact O-N 3.45Å; Y153-I156 PolarHBondContact O-N 2.95Å; I156-Q158 VanDerWaalsContact C-N 3.26Å; I156-Q158 PolarHBondContact O-N 2.67Å; I156-N159 PolarHBondContact O-N 3.44Å
157	K	43.8	Very low	51.9	Low	112 Å²	112	89.3 Å²	89.3	49%	0.487	46%	0.463	S	S	.	.	H	α-helix	trans	-63.4	-29.3	178.7	-141.7	174.6	-172.3	168.9	0	113.2	Y153 N154 S155 D167	Y153-K157 PolarHBondContact O-N 2.74Å; N154-K157 WeakPolarHBondContact O-CB 3.46Å; N154-K157 PolarHBondContact O-N 3.44Å; S155-K157 VanDerWaalsContact C-N 3.26Å; S155-K157 PolarHBondContact O-N 2.88Å; K157-D167 WeakPolarHBondContact CE-OD1 3.46Å; K157-D167 IonicContact NZ-OD1 2.68Å; K157-D167 PolarHBondContact NZ-OD1 3.38Å; K157-D167 IonicContact NZ-OD2 2.97Å; K157-D167 PolarHBondContact NZ-OD2 3.43Å
158	Q	43.9	Very low	54.7	Low	163 Å²	163	87 Å²	87	76%	0.762	45%	0.446	S	S	*	.	H	α-helix	trans	-86.4	-23.9	-178.3	-71.9	-174.1	-10.1	0	0	114.2	N154 S155 I156	N154-Q158 PolarHBondContact O-N 3.22Å; S155-Q158 PolarHBondContact O-N 2.99Å; I156-Q158 VanDerWaalsContact C-N 3.26Å; I156-Q158 PolarHBondContact O-N 2.67Å
159	N	40.8	Very low	57.1	Low	132 Å²	132	85.6 Å²	85.6	71%	0.706	44%	0.443	S	S	*	.	S	Bend	trans	-89.1	-3	-173.1	-85.6	-13.9	0	0	0	115.6	S155 I156	S155-N159 PolarHBondContact O-N 3.27Å; I156-N159 PolarHBondContact O-N 3.44Å
160	N	39.7	Very low	59.4	Low	84 Å²	84	81 Å²	81	45%	0.449	42%	0.418	S	S	.	.			trans	-96.8	102	175.3	-81	-18.6	0	0	0	110.7	N162 L166	N160-N162 PolarHBondContact O-N 3.14Å; N160-L166 WeakPolarHBondContact ND2-CD1 3.25Å
161	N	41	Very low	61.7	Low	158 Å²	158	75.8 Å²	75.8	85%	0.845	39%	0.394	S	S	*	.			trans	-65	7.1	170.5	-88	-13.3	0	0	0	114.4
162	N	49.4	Very low	64	Low	87 Å²	87	70.4 Å²	70.4	47%	0.465	37%	0.365	S	S	.	.	S	Bend	trans	-107.7	139.6	178.3	-68.1	-14.5	0	0	0	109.6	N160 I164	N160-N162 PolarHBondContact O-N 3.14Å; N162-I164 HydrophobicContact CB-CD1 4.1Å; N162-I164 HydrophobicContact CB-CG1 4.08Å; N162-I164 PolarHBondContact O-N 2.89Å
163	N	63.1	Low	66.2	Low	178 Å²	178	66.3 Å²	66.3	95%	0.952	35%	0.346	S	S	*	.			trans	-60.8	22.4	176.1	-79.9	-21.4	0	0	0	115.3	N165	N163-N165 PolarHBondContact O-N 3.18Å
164	I	71	Confident	68.6	Low	43 Å²	43	64.3 Å²	64.3	22%	0.221	34%	0.338	C	S	.	.			trans	-80.6	112.3	-178.7	-63.3	176.8	0	0	0	108.6	N162 L166 V535 I619	N162-I164 HydrophobicContact CB-CD1 4.1Å; N162-I164 HydrophobicContact CB-CG1 4.08Å; N162-I164 PolarHBondContact O-N 2.89Å; I164-L166 HydrophobicContact CG2-CD2 3.6Å; I164-L166 HydrophobicContact CG2-CG 4.06Å; I164-L166 PolarHBondContact O-N 2.89Å; I164-V535 HydrophobicContact CG2-CB 4.07Å; I164-I619 HydrophobicContact CD1-CD1 4.14Å; I164-I619 HydrophobicContact CD1-CG1 4.36Å; I164-I619 HydrophobicContact CG2-CG2 4.47Å
165	N	79.6	Confident	70.6	Confident	43 Å²	43	62 Å²	62	23%	0.23	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-85.1	103.8	175.1	-171.3	-3.4	0	0	0	110.6	N163 D167 R537	N163-N165 PolarHBondContact O-N 3.18Å; N165-D167 VanDerWaalsContact C-N 3.25Å; N165-D167 PolarHBondContact O-N 3.01Å; N165-D167 WeakPolarHBondContact OD1-CB 3.42Å; N165-D167 PolarHBondContact OD1-N 3.47Å; N165-D167 PolarHBondContact OD1-OD2 3.45Å; N165-R537 WeakPolarHBondContact O-CA 3.09Å; N165-R537 PolarHBondContact O-N 3.04Å
166	L	82.8	Confident	72.7	Confident	29 Å²	29	62.8 Å²	62.8	15%	0.152	33%	0.325	C	S	.	.			trans	-83.9	6.8	177.4	-59.4	177.1	0	0	0	113.8	N160 I164 I619 L621	N160-L166 WeakPolarHBondContact ND2-CD1 3.25Å; I164-L166 HydrophobicContact CG2-CD2 3.6Å; I164-L166 HydrophobicContact CG2-CG 4.06Å; I164-L166 PolarHBondContact O-N 2.89Å; L166-I619 HydrophobicContact CD2-CG2 4.22Å; L166-L621 HydrophobicContact CD2-CD2 3.61Å
167	D	85.8	Confident	74.8	Confident	34 Å²	34	64.6 Å²	64.6	18%	0.182	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-61.1	157	176.7	-72.6	-28.7	0	0	0	112.2	Y153 K157 N165 R537	Y153-D167 WeakPolarHBondContact OH-CA 3.36Å; Y153-D167 PolarHBondContact OH-OD1 2.92Å; K157-D167 WeakPolarHBondContact CE-OD1 3.46Å; K157-D167 IonicContact NZ-OD1 2.68Å; K157-D167 PolarHBondContact NZ-OD1 3.38Å; K157-D167 IonicContact NZ-OD2 2.97Å; K157-D167 PolarHBondContact NZ-OD2 3.43Å; N165-D167 VanDerWaalsContact C-N 3.25Å; N165-D167 PolarHBondContact O-N 3.01Å; N165-D167 WeakPolarHBondContact OD1-CB 3.42Å; N165-D167 PolarHBondContact OD1-N 3.47Å; N165-D167 PolarHBondContact OD1-OD2 3.45Å; D167-R537 HydrophobicContact CB-CG 4.15Å; D167-R537 CarbonylContact O-C 3.47Å; D167-R537 WeakPolarHBondContact O-CA 3.35Å; D167-R537 VanDerWaalsContact O-CB 3.29Å; D167-R537 WeakPolarHBondContact O-CB 3.38Å
168	F	91.2	Very high	77.3	Confident	22 Å²	22	59.5 Å²	59.5	10%	0.096	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-73.9	151.4	-179	-63.7	-97.5	0	0	0	112.1	Y153 D172 R538 P622 R624 L635	Y153-F168 AromaticContact CE2-CE2 3.9Å; Y153-F168 HydrophobicContact CE2-CE2 3.9Å; F168-D172 VanDerWaalsContact CA-OD2 3.3Å; F168-D172 WeakPolarHBondContact CA-OD2 3.48Å; F168-D172 HydrophobicContact CB-CB 4.34Å; F168-D172 WeakPolarHBondContact CB-OD2 3.16Å; F168-D172 HydrophobicContact CD1-CB 4.13Å; F168-R538 VanDerWaalsContact CE1-NH2 3.3Å; F168-P622 HydrophobicContact CE1-CB 4.48Å; F168-P622 HydrophobicContact CE1-CG 4.4Å; F168-P622 WeakPolarHBondContact CE1-O 3.21Å; F168-P622 HydrophobicContact CE2-CG 4.18Å; F168-P622 HydrophobicContact CZ-CB 3.9Å; F168-P622 HydrophobicContact CZ-CG 3.81Å; F168-R624 HydrophobicContact CD1-CB 4.49Å; F168-R624 HydrophobicContact CD1-CG 3.81Å; F168-R624 HydrophobicContact CE1-CB 3.85Å; F168-R624 HydrophobicContact CE1-CG 3.67Å; F168-R624 VanDerWaalsContact CE1-NE 3.31Å; F168-R624 HydrophobicContact CZ-CB 4.34Å; F168-R624 HydrophobicContact CZ-CG 4.5Å; F168-L635 HydrophobicContact CE1-CD1 4.43Å; F168-L635 HydrophobicContact CZ-CD1 3.62Å
169	G	89.9	Confident	79.7	Confident	14 Å²	14	51.7 Å²	51.7	14%	0.144	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-92.6	173.6	176.6	0	0	0	0	0	112.6	F171 D172 R538	G169-F171 PolarHBondContact O-N 2.96Å; G169-D172 PolarHBondContact N-OD2 3.06Å; G169-D172 PolarHBondContact O-N 3.03Å; G169-R538 VanDerWaalsContact N-CG 3.34Å
170	I	90.9	Very high	82.2	Confident	26 Å²	26	46.3 Å²	46.3	13%	0.133	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-21	-177.9	-162.5	156.2	0	0	0	113.4	L243 Y254 F286 R288	I170-L243 WeakPolarHBondContact O-CD2 3.39Å; I170-Y254 HydrophobicContact CG2-CE1 4.04Å; I170-F286 HydrophobicContact CB-CE1 4.43Å; I170-F286 HydrophobicContact CB-CZ 4.07Å; I170-F286 HydrophobicContact CD1-CD1 3.55Å; I170-F286 HydrophobicContact CD1-CD2 3.89Å; I170-F286 HydrophobicContact CD1-CE1 3.26Å; I170-F286 HydrophobicContact CD1-CE2 3.61Å; I170-F286 HydrophobicContact CD1-CG 3.86Å; I170-F286 HydrophobicContact CD1-CZ 3.29Å; I170-F286 HydrophobicContact CG1-CD1 4.5Å; I170-F286 HydrophobicContact CG1-CD2 4.36Å; I170-F286 HydrophobicContact CG1-CE1 3.82Å; I170-F286 HydrophobicContact CG1-CE2 3.63Å; I170-F286 HydrophobicContact CG1-CZ 3.32Å; I170-F286 HydrophobicContact CG2-CE1 3.85Å; I170-F286 HydrophobicContact CG2-CZ 3.61Å; I170-R288 HydrophobicContact CD1-CG 4.46Å; I170-R288 HydrophobicContact CG1-CG 3.81Å; I170-R288 PolarHBondContact O-NE 2.86Å
171	F	94	Very high	84.9	Confident	9 Å²	9	44.2 Å²	44.2	4%	0.039	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	0.5	178.9	-56.3	-53.9	0	0	0	114.7	G169 L243 I245 P246 R251 Y254 F255 F286 T550 F560	G169-F171 PolarHBondContact O-N 2.96Å; F171-L243 VanDerWaalsContact C-CD2 3.4Å; F171-L243 VanDerWaalsContact CA-CD2 3.41Å; F171-L243 HydrophobicContact CB-CD2 4.47Å; F171-L243 WeakPolarHBondContact O-CD2 3.42Å; F171-I245 HydrophobicContact CB-CD1 4.14Å; F171-I245 HydrophobicContact CD1-CD1 4.12Å; F171-P246 HydrophobicContact CE1-CG 4.26Å; F171-R251 HydrophobicContact CE1-CG 4.18Å; F171-R251 HydrophobicContact CZ-CG 4.1Å; F171-Y254 HydrophobicContact CE2-CD1 4.49Å; F171-Y254 HydrophobicContact CE2-CE1 4.34Å; F171-Y254 HydrophobicContact CZ-CD1 4.26Å; F171-Y254 HydrophobicContact CZ-CE1 4.47Å; F171-F255 HydrophobicContact CD2-CZ 4.45Å; F171-F255 HydrophobicContact CE2-CE1 4.02Å; F171-F255 HydrophobicContact CE2-CE2 4.19Å; F171-F255 AromaticContact CE2-CZ 3.43Å; F171-F255 HydrophobicContact CE2-CZ 3.43Å; F171-F255 VanDerWaalsContact CE2-CZ 3.43Å; F171-F255 HydrophobicContact CZ-CE2 4.36Å; F171-F255 HydrophobicContact CZ-CZ 4.02Å; F171-F286 HydrophobicContact CD1-CZ 4.31Å; F171-F286 HydrophobicContact CE1-CE1 4.33Å; F171-F286 HydrophobicContact CE1-CE2 4.47Å; F171-F286 AromaticContact CE1-CZ 3.58Å; F171-F286 HydrophobicContact CE1-CZ 3.58Å; F171-F286 HydrophobicContact CZ-CE1 4.37Å; F171-F286 HydrophobicContact CZ-CZ 4.05Å; F171-T550 HydrophobicContact CB-CG2 4.42Å; F171-T550 PolarHBondContact O-OG1 2.89Å; F171-F560 HydrophobicContact CB-CE2 4.19Å; F171-F560 HydrophobicContact CD2-CD2 4.1Å; F171-F560 HydrophobicContact CD2-CE2 4.46Å; F171-F560 HydrophobicContact CG-CD2 4.45Å; F171-F560 HydrophobicContact CG-CE2 4.36Å
172	D	95	Very high	87.5	Confident	5 Å²	5	36.7 Å²	36.7	3%	0.027	19%	0.193	C	C	.	.	S	Bend	trans	-71.7	165.5	172.2	-70.6	-44.4	0	0	0	111.2	F168 G169 L243 R288 R538 T550	F168-D172 VanDerWaalsContact CA-OD2 3.3Å; F168-D172 WeakPolarHBondContact CA-OD2 3.48Å; F168-D172 HydrophobicContact CB-CB 4.34Å; F168-D172 WeakPolarHBondContact CB-OD2 3.16Å; F168-D172 HydrophobicContact CD1-CB 4.13Å; G169-D172 PolarHBondContact N-OD2 3.06Å; G169-D172 PolarHBondContact O-N 3.03Å; D172-L243 VanDerWaalsContact O-CD2 3.28Å; D172-L243 WeakPolarHBondContact O-CD2 3.47Å; D172-R288 PolarHBondContact O-NH2 2.87Å; D172-R538 IonicContact OD1-NE 3.49Å; D172-R538 PolarHBondContact OD1-NE 2.67Å; D172-R538 IonicContact OD1-NH2 2.76Å; D172-R538 WeakPolarHBondContact OD2-CG 3.03Å; D172-R538 IonicContact OD2-CZ 2.64Å; D172-R538 IonicContact OD2-NE 3.59Å; D172-R538 PolarHBondContact OD2-NE 3.01Å; D172-R538 IonicContact OD2-NH2 3.6Å; D172-R538 PolarHBondContact OD2-NH2 2.69Å; D172-T550 WeakPolarHBondContact CA-OG1 3.38Å; D172-T550 PolarHBondContact OD1-OG1 2.83Å
173	E	95.4	Very high	89.5	Confident	2 Å²	2	32.7 Å²	32.7	1%	0.009	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-64.8	164.5	177.5	-64	-64.1	166.2	0	0	112.8	N242 L243 R288 R553 R624 L625	E173-N242 VanDerWaalsContact OE2-CA 3.29Å; E173-N242 WeakPolarHBondContact OE2-CA 3.49Å; E173-L243 PolarHBondContact OE2-N 3Å; E173-R288 PolarHBondContact O-NH2 3.4Å; E173-R288 VanDerWaalsContact O-NH2 3.09Å; E173-R553 PolarHBondContact OE1-N 3.49Å; E173-R624 HydrophobicContact CB-CG 4.35Å; E173-R624 WeakPolarHBondContact CB-O 3.28Å; E173-R624 WeakPolarHBondContact O-CD 3.31Å; E173-L625 HydrophobicContact CG-CD2 4.19Å
174	P	95.2	Very high	91	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-58.8	144.8	179.1	-24.2	34.9	0	0	0	113.1	E178 L241 L312 I626	P174-E178 VanDerWaalsContact CA-OE2 3.31Å; P174-E178 WeakPolarHBondContact CA-OE2 3.37Å; P174-E178 HydrophobicContact CB-CB 4.04Å; P174-L241 HydrophobicContact CB-CD2 4.49Å; P174-L241 HydrophobicContact CG-CD2 4.43Å; P174-L241 HydrophobicContact CG-CG 4.29Å; P174-L312 HydrophobicContact CB-CD1 4.14Å; P174-L312 HydrophobicContact CG-CD1 3.85Å; P174-I626 HydrophobicContact CB-CD1 3.97Å; P174-I626 HydrophobicContact CG-CD1 4.23Å
175	N	93	Very high	92.1	Very high	33 Å²	33	27 Å²	27	18%	0.176	14%	0.14	C	C	.	.			trans	-84.6	179.8	175.2	75.2	6.9	0	0	0	112.6	E177 E178 Y179 R624	N175-E177 PolarHBondContact O-N 2.82Å; N175-E177 WeakPolarHBondContact OD1-CB 3.02Å; N175-E177 PolarHBondContact OD1-N 3.31Å; N175-E177 VanDerWaalsContact OD1-N 3.13Å; N175-E178 PolarHBondContact N-OE2 3.5Å; N175-E178 PolarHBondContact O-N 3.41Å; N175-E178 VanDerWaalsContact OD1-CB 3.25Å; N175-E178 WeakPolarHBondContact OD1-CB 3.4Å; N175-E178 VanDerWaalsContact OD1-CG 3.23Å; N175-E178 WeakPolarHBondContact OD1-CG 3.33Å; N175-E178 PolarHBondContact OD1-N 2.95Å; N175-Y179 VanDerWaalsContact O-CB 3.3Å; N175-Y179 WeakPolarHBondContact O-CB 3.3Å; N175-Y179 PolarHBondContact O-N 3.43Å; N175-R624 VanDerWaalsContact CB-NH1 3.29Å
176	N	92.2	Very high	92.8	Very high	72 Å²	72	25 Å²	25	39%	0.385	13%	0.129	S	C	.	.	H	α-helix	trans	-57.4	-45.7	178.1	-71.9	-16.2	0	0	0	112.8	Y179 Q180 P633	N176-Y179 PolarHBondContact O-N 2.83Å; N176-Q180 WeakPolarHBondContact O-CG 3.11Å; N176-Q180 PolarHBondContact O-N 2.78Å; N176-P633 WeakPolarHBondContact OD1-CB 3.24Å
177	E	94	Very high	93.2	Very high	111 Å²	111	27.5 Å²	27.5	52%	0.519	14%	0.139	S	C	.	.	H	α-helix	trans	-62	-51.4	179.4	-172.2	-168.5	170.4	0	0	111.6	N175 Y179 Q180 N181	N175-E177 PolarHBondContact O-N 2.82Å; N175-E177 WeakPolarHBondContact OD1-CB 3.02Å; N175-E177 PolarHBondContact OD1-N 3.31Å; N175-E177 VanDerWaalsContact OD1-N 3.13Å; E177-Y179 VanDerWaalsContact C-N 3.34Å; E177-Y179 PolarHBondContact O-N 3.47Å; E177-Q180 PolarHBondContact O-N 3.48Å; E177-N181 WeakPolarHBondContact O-CB 3.29Å; E177-N181 PolarHBondContact O-N 3.17Å; E177-N181 PolarHBondContact O-ND2 3.13Å
178	E	95.4	Very high	93.4	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.019	17%	0.169	C	C	.	.	H	α-helix	trans	-58.7	-43.6	177.3	-74	173.8	147.5	0	0	111.6	P174 N175 N181 V182 R288 L312	P174-E178 VanDerWaalsContact CA-OE2 3.31Å; P174-E178 WeakPolarHBondContact CA-OE2 3.37Å; P174-E178 HydrophobicContact CB-CB 4.04Å; N175-E178 PolarHBondContact N-OE2 3.5Å; N175-E178 PolarHBondContact O-N 3.41Å; N175-E178 VanDerWaalsContact OD1-CB 3.25Å; N175-E178 WeakPolarHBondContact OD1-CB 3.4Å; N175-E178 VanDerWaalsContact OD1-CG 3.23Å; N175-E178 WeakPolarHBondContact OD1-CG 3.33Å; N175-E178 PolarHBondContact OD1-N 2.95Å; E178-N181 PolarHBondContact O-N 3.25Å; E178-V182 WeakPolarHBondContact O-CG2 3.41Å; E178-V182 PolarHBondContact O-N 3.46Å; E178-R288 IonicContact OE1-CZ 4Å; E178-R288 IonicContact OE1-NH1 3.51Å; E178-R288 PolarHBondContact OE1-NH1 3.36Å; E178-R288 IonicContact OE2-CZ 3.8Å; E178-R288 IonicContact OE2-NH1 3.86Å; E178-R288 PolarHBondContact OE2-NH1 2.83Å; E178-R288 IonicContact OE2-NH2 2.6Å; E178-L312 HydrophobicContact CB-CB 3.93Å; E178-L312 HydrophobicContact CG-CB 3.73Å
179	Y	95	Very high	93.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.9	-51.2	174.3	177.5	-95.3	0	0	0	111.3	N175 N176 E177 N181 V182 I183 F196 L238 L241 I626 G629 P633	N175-Y179 VanDerWaalsContact O-CB 3.3Å; N175-Y179 WeakPolarHBondContact O-CB 3.3Å; N175-Y179 PolarHBondContact O-N 3.43Å; N176-Y179 PolarHBondContact O-N 2.83Å; E177-Y179 VanDerWaalsContact C-N 3.34Å; E177-Y179 PolarHBondContact O-N 3.47Å; Y179-N181 VanDerWaalsContact C-N 3.31Å; Y179-N181 PolarHBondContact O-N 2.66Å; Y179-V182 PolarHBondContact O-N 3.37Å; Y179-V182 VanDerWaalsContact O-N 3.16Å; Y179-I183 HydrophobicContact CD1-CG1 4.06Å; Y179-I183 HydrophobicContact CE1-CD1 4.2Å; Y179-I183 HydrophobicContact CE1-CG1 3.59Å; Y179-I183 HydrophobicContact CE2-CD1 4.14Å; Y179-I183 HydrophobicContact CE2-CG1 4.29Å; Y179-I183 WeakPolarHBondContact O-CG1 3.31Å; Y179-I183 PolarHBondContact O-N 3.37Å; Y179-F196 HydrophobicContact CE1-CB 4.22Å; Y179-F196 HydrophobicContact CE1-CD1 4.21Å; Y179-F196 WeakPolarHBondContact OH-CB 3.48Å; Y179-F196 PolarHBondContact OH-N 2.93Å; Y179-L238 HydrophobicContact CE2-CD2 4.22Å; Y179-L241 HydrophobicContact CD2-CD2 3.87Å; Y179-I626 HydrophobicContact CD2-CD1 3.79Å; Y179-I626 HydrophobicContact CD2-CG2 4.36Å; Y179-I626 HydrophobicContact CE2-CG2 4.19Å; Y179-I626 HydrophobicContact CG-CD1 4.45Å; Y179-G629 PolarHBondContact OH-O 3.5Å; Y179-P633 HydrophobicContact CD1-CG 4.05Å; Y179-P633 HydrophobicContact CD2-CG 4.12Å; Y179-P633 HydrophobicContact CG-CG 3.64Å
180	Q	93.5	Very high	93.4	Very high	19 Å²	19	38.5 Å²	38.5	9%	0.089	19%	0.188	C	C	.	.	H	α-helix	trans	-61.7	-39.1	179.2	-70.3	-55.4	-35.9	0	0	112.3	N176 E177 V182 I183 N184 S198	N176-Q180 WeakPolarHBondContact O-CG 3.11Å; N176-Q180 PolarHBondContact O-N 2.78Å; E177-Q180 PolarHBondContact O-N 3.48Å; Q180-V182 VanDerWaalsContact C-N 3.33Å; Q180-V182 PolarHBondContact O-N 3.34Å; Q180-I183 PolarHBondContact O-N 3.48Å; Q180-N184 WeakPolarHBondContact O-CB 3.44Å; Q180-N184 VanDerWaalsContact O-CG 3.26Å; Q180-N184 PolarHBondContact O-N 3.09Å; Q180-N184 PolarHBondContact O-ND2 3Å; Q180-S198 PolarHBondContact NE2-OG 2.83Å
181	N	95.8	Very high	92.7	Very high	40 Å²	40	44.3 Å²	44.3	21%	0.214	22%	0.22	C	C	.	.	H	α-helix	trans	-60.5	-43	175.4	-70.6	-24.7	0	0	0	111.7	E177 E178 Y179 F185 L312 K313 P315	E177-N181 WeakPolarHBondContact O-CB 3.29Å; E177-N181 PolarHBondContact O-N 3.17Å; E177-N181 PolarHBondContact O-ND2 3.13Å; E178-N181 PolarHBondContact O-N 3.25Å; Y179-N181 VanDerWaalsContact C-N 3.31Å; Y179-N181 PolarHBondContact O-N 2.66Å; N181-F185 VanDerWaalsContact O-CB 3.32Å; N181-F185 WeakPolarHBondContact O-CB 3.38Å; N181-F185 PolarHBondContact O-N 2.81Å; N181-L312 WeakPolarHBondContact CB-O 3.11Å; N181-K313 PolarHBondContact ND2-O 3.43Å; N181-P315 HydrophobicContact CB-CG 4.07Å
182	V	95.1	Very high	91.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65.7	-44	175.4	171.4	0	0	0	0	111.3	E178 Y179 Q180 N184 F185 L186 L241 I309 L312 P315	E178-V182 WeakPolarHBondContact O-CG2 3.41Å; E178-V182 PolarHBondContact O-N 3.46Å; Y179-V182 PolarHBondContact O-N 3.37Å; Y179-V182 VanDerWaalsContact O-N 3.16Å; Q180-V182 VanDerWaalsContact C-N 3.33Å; Q180-V182 PolarHBondContact O-N 3.34Å; V182-N184 PolarHBondContact O-N 3.32Å; V182-F185 PolarHBondContact O-N 2.99Å; V182-L186 HydrophobicContact CG1-CD1 3.77Å; V182-L186 HydrophobicContact CG1-CG 4.11Å; V182-L186 VanDerWaalsContact O-CB 3.3Å; V182-L186 WeakPolarHBondContact O-CB 3.44Å; V182-L186 VanDerWaalsContact O-CG 3.28Å; V182-L186 WeakPolarHBondContact O-CG 3.21Å; V182-L186 PolarHBondContact O-N 2.65Å; V182-L241 HydrophobicContact CB-CD2 3.88Å; V182-L241 HydrophobicContact CG1-CD1 4.07Å; V182-L241 HydrophobicContact CG1-CD2 3.93Å; V182-L241 HydrophobicContact CG2-CD1 4.47Å; V182-L241 HydrophobicContact CG2-CD2 3.99Å; V182-I309 HydrophobicContact CG1-CD1 4.07Å; V182-I309 HydrophobicContact CG1-CG2 4.31Å; V182-I309 HydrophobicContact CG2-CG2 4.1Å; V182-L312 HydrophobicContact CG2-CD2 3.57Å; V182-P315 HydrophobicContact CG2-CG 3.9Å
183	I	92.6	Very high	91.2	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-58.3	-47.9	176.4	-65.7	-48.1	0	0	0	111.4	Y179 Q180 F185 L186 K187 A195 L238	Y179-I183 HydrophobicContact CD1-CG1 4.06Å; Y179-I183 HydrophobicContact CE1-CD1 4.2Å; Y179-I183 HydrophobicContact CE1-CG1 3.59Å; Y179-I183 HydrophobicContact CE2-CD1 4.14Å; Y179-I183 HydrophobicContact CE2-CG1 4.29Å; Y179-I183 WeakPolarHBondContact O-CG1 3.31Å; Y179-I183 PolarHBondContact O-N 3.37Å; Q180-I183 PolarHBondContact O-N 3.48Å; I183-F185 VanDerWaalsContact C-N 3.35Å; I183-F185 PolarHBondContact O-N 3.41Å; I183-L186 PolarHBondContact O-N 3.06Å; I183-K187 HydrophobicContact CG2-CD 4.03Å; I183-K187 HydrophobicContact CG2-CG 4.47Å; I183-K187 WeakPolarHBondContact O-CG 3.24Å; I183-K187 PolarHBondContact O-N 3.38Å; I183-A195 HydrophobicContact CD1-CB 3.48Å; I183-A195 VanDerWaalsContact CD1-CB 3.48Å; I183-A195 HydrophobicContact CG1-CB 4.38Å; I183-L238 HydrophobicContact CD1-CD2 3.3Å
184	N	92.7	Very high	90.5	Very high	78 Å²	78	54 Å²	54	42%	0.417	27%	0.273	S	S	.	.	H	α-helix	trans	-62	-44.3	179.6	-71.1	-22.7	0	0	0	111.4	Q180 V182 K187 L188	Q180-N184 WeakPolarHBondContact O-CB 3.44Å; Q180-N184 VanDerWaalsContact O-CG 3.26Å; Q180-N184 PolarHBondContact O-N 3.09Å; Q180-N184 PolarHBondContact O-ND2 3Å; V182-N184 PolarHBondContact O-N 3.32Å; N184-K187 PolarHBondContact O-N 3.08Å; N184-L188 WeakPolarHBondContact O-CG 3.38Å; N184-L188 PolarHBondContact O-N 3.3Å
185	F	95.1	Very high	89.7	Confident	23 Å²	23	54.9 Å²	54.9	10%	0.101	28%	0.28	C	S	.	.	H	α-helix	trans	-63.1	-42.6	176.2	175.5	-108.8	0	0	0	112.7	N181 V182 I183 L188 K189 I309 P315 I318	N181-F185 VanDerWaalsContact O-CB 3.32Å; N181-F185 WeakPolarHBondContact O-CB 3.38Å; N181-F185 PolarHBondContact O-N 2.81Å; V182-F185 PolarHBondContact O-N 2.99Å; I183-F185 VanDerWaalsContact C-N 3.35Å; I183-F185 PolarHBondContact O-N 3.41Å; F185-L188 PolarHBondContact O-N 3.38Å; F185-K189 HydrophobicContact CE1-CG 4.31Å; F185-K189 HydrophobicContact CE2-CG 4.28Å; F185-K189 HydrophobicContact CZ-CG 4.12Å; F185-K189 WeakPolarHBondContact O-CG 3.42Å; F185-K189 PolarHBondContact O-N 3.43Å; F185-I309 HydrophobicContact CD1-CG2 3.94Å; F185-I309 HydrophobicContact CE1-CG2 4Å; F185-P315 HydrophobicContact CB-CB 3.77Å; F185-P315 HydrophobicContact CB-CG 4.33Å; F185-P315 HydrophobicContact CD1-CB 3.71Å; F185-P315 HydrophobicContact CD2-CB 4.15Å; F185-P315 WeakPolarHBondContact CD2-O 3.46Å; F185-P315 HydrophobicContact CE1-CB 4.26Å; F185-P315 WeakPolarHBondContact CE2-O 3.14Å; F185-P315 HydrophobicContact CG-CB 3.62Å; F185-I318 HydrophobicContact CE1-CB 3.9Å; F185-I318 HydrophobicContact CE1-CG2 4.33Å; F185-I318 HydrophobicContact CZ-CB 4.16Å; F185-I318 HydrophobicContact CZ-CG2 4.18Å
186	L	94	Very high	88.9	Confident	1 Å²	1	55 Å²	55	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-64.5	-41.2	177.9	-78.8	180	0	0	0	112.4	V182 I183 L188 K189 F190 I193 L238 I294 I309 I318	V182-L186 HydrophobicContact CG1-CD1 3.77Å; V182-L186 HydrophobicContact CG1-CG 4.11Å; V182-L186 VanDerWaalsContact O-CB 3.3Å; V182-L186 WeakPolarHBondContact O-CB 3.44Å; V182-L186 VanDerWaalsContact O-CG 3.28Å; V182-L186 WeakPolarHBondContact O-CG 3.21Å; V182-L186 PolarHBondContact O-N 2.65Å; I183-L186 PolarHBondContact O-N 3.06Å; L186-L188 PolarHBondContact O-N 2.78Å; L186-K189 PolarHBondContact O-N 2.98Å; L186-F190 HydrophobicContact CD2-CD2 3.86Å; L186-F190 HydrophobicContact CD2-CE2 3.59Å; L186-F190 PolarHBondContact O-N 3.05Å; L186-I193 HydrophobicContact CB-CD1 3.76Å; L186-I193 HydrophobicContact CD2-CD1 4.38Å; L186-I193 HydrophobicContact CG-CD1 4.49Å; L186-L238 HydrophobicContact CD1-CD1 4.08Å; L186-L238 HydrophobicContact CD1-CD2 4.46Å; L186-I294 HydrophobicContact CD1-CD1 4.1Å; L186-I294 HydrophobicContact CD2-CD1 3.73Å; L186-I309 HydrophobicContact CD1-CD1 4.14Å; L186-I309 HydrophobicContact CD2-CD1 3.59Å; L186-I309 HydrophobicContact CG-CD1 4Å; L186-I318 HydrophobicContact CD2-CD1 4.02Å
187	K	90.7	Very high	87.6	Confident	83 Å²	83	53.3 Å²	53.3	36%	0.361	27%	0.27	S	S	.	.	H	α-helix	trans	-61.4	-29.2	175.1	-75.3	172.9	178.5	171.4	0	113.2	I183 N184	I183-K187 HydrophobicContact CG2-CD 4.03Å; I183-K187 HydrophobicContact CG2-CG 4.47Å; I183-K187 WeakPolarHBondContact O-CG 3.24Å; I183-K187 PolarHBondContact O-N 3.38Å; N184-K187 PolarHBondContact O-N 3.08Å
188	L	91.1	Very high	85.8	Confident	154 Å²	154	50.1 Å²	50.1	81%	0.806	26%	0.26	S	S	*	.	H	α-helix	trans	-77.1	-29.8	173.6	-66.9	172.7	0	0	0	112.6	N184 F185 L186	N184-L188 WeakPolarHBondContact O-CG 3.38Å; N184-L188 PolarHBondContact O-N 3.3Å; F185-L188 PolarHBondContact O-N 3.38Å; L186-L188 PolarHBondContact O-N 2.78Å
189	K	91.2	Very high	83.8	Confident	113 Å²	113	56.1 Å²	56.1	49%	0.491	29%	0.286	S	S	.	.	H	α-helix	trans	-86.1	-33.3	-176.7	-72.4	-64.1	-174	-175.4	0	113.6	F185 L186	F185-K189 HydrophobicContact CE1-CG 4.31Å; F185-K189 HydrophobicContact CE2-CG 4.28Å; F185-K189 HydrophobicContact CZ-CG 4.12Å; F185-K189 WeakPolarHBondContact O-CG 3.42Å; F185-K189 PolarHBondContact O-N 3.43Å; L186-K189 PolarHBondContact O-N 2.98Å
190	F	89.8	Confident	81.7	Confident	33 Å²	33	61.1 Å²	61.1	15%	0.145	31%	0.312	C	S	.	.	S	Bend	trans	-128.3	132.5	-174.6	-55.1	-72.2	0	0	0	109.9	L186 S192 I193 I294 F296 Y307 I318	L186-F190 HydrophobicContact CD2-CD2 3.86Å; L186-F190 HydrophobicContact CD2-CE2 3.59Å; L186-F190 PolarHBondContact O-N 3.05Å; F190-S192 PolarHBondContact O-N 3.4Å; F190-S192 VanDerWaalsContact O-N 3.13Å; F190-I193 HydrophobicContact CB-CD1 3.58Å; F190-I193 HydrophobicContact CB-CG1 3.95Å; F190-I193 HydrophobicContact CD2-CD1 3.45Å; F190-I193 VanDerWaalsContact CD2-CD1 3.45Å; F190-I193 HydrophobicContact CE2-CD1 4.46Å; F190-I193 HydrophobicContact CG-CD1 3.89Å; F190-I294 HydrophobicContact CD2-CD1 4.41Å; F190-I294 HydrophobicContact CE2-CD1 4.02Å; F190-F296 AromaticContact CD1-CE1 3.74Å; F190-F296 HydrophobicContact CD1-CE1 3.74Å; F190-F296 AromaticContact CD1-CZ 3.91Å; F190-F296 HydrophobicContact CD1-CZ 3.91Å; F190-F296 AromaticContact CE1-CE1 4Å; F190-F296 HydrophobicContact CE1-CE1 4Å; F190-F296 AromaticContact CE1-CZ 3.74Å; F190-F296 HydrophobicContact CE1-CZ 3.74Å; F190-F296 HydrophobicContact CE2-CZ 4.38Å; F190-F296 HydrophobicContact CG-CE1 4.19Å; F190-F296 HydrophobicContact CG-CZ 4.3Å; F190-F296 AromaticContact CZ-CZ 3.98Å; F190-F296 HydrophobicContact CZ-CZ 3.98Å; F190-Y307 HydrophobicContact CZ-CE1 4.44Å; F190-Y307 HydrophobicContact CZ-CE2 4.05Å; F190-Y307 AromaticContact CZ-CZ 3.87Å; F190-I318 HydrophobicContact CE2-CD1 3.66Å; F190-I318 HydrophobicContact CZ-CD1 3.82Å
191	N	76.4	Confident	79.4	Confident	149 Å²	149	66.2 Å²	66.2	80%	0.797	33%	0.333	S	S	*	.	S	Bend	trans	-61.8	117.9	174.6	-67.8	2.1	0	0	0	109.1	N236	N191-N236 PolarHBondContact O-ND2 3.25Å
192	S	74.9	Confident	76.5	Confident	102 Å²	102	67.7 Å²	67.7	71%	0.713	34%	0.344	S	S	*	.			trans	51.6	93	175.4	-59.3	0	0	0	0	114.8	F190	F190-S192 PolarHBondContact O-N 3.4Å; F190-S192 VanDerWaalsContact O-N 3.13Å
193	I	82.2	Confident	73.3	Confident	16 Å²	16	72.9 Å²	72.9	8%	0.082	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124.5	166.8	-72.8	173.6	0	0	0	109.8	L186 F190 A195 N236 L238 I294	L186-I193 HydrophobicContact CB-CD1 3.76Å; L186-I193 HydrophobicContact CD2-CD1 4.38Å; L186-I193 HydrophobicContact CG-CD1 4.49Å; F190-I193 HydrophobicContact CB-CD1 3.58Å; F190-I193 HydrophobicContact CB-CG1 3.95Å; F190-I193 HydrophobicContact CD2-CD1 3.45Å; F190-I193 VanDerWaalsContact CD2-CD1 3.45Å; F190-I193 HydrophobicContact CE2-CD1 4.46Å; F190-I193 HydrophobicContact CG-CD1 3.89Å; I193-A195 HydrophobicContact CG2-CB 4.34Å; I193-N236 CarbonylContact C-O 3.49Å; I193-N236 WeakPolarHBondContact CA-O 2.93Å; I193-N236 HydrophobicContact CG1-CB 3.98Å; I193-L238 HydrophobicContact CG2-CB 4.12Å; I193-I294 HydrophobicContact CD1-CD1 4.28Å
194	Y	81.1	Confident	70.5	Confident	102 Å²	102	79.6 Å²	79.6	40%	0.4	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	121.4	166.9	-173.8	-87.3	0	0	0	109.8	N236 Y237 L238 I334 E630	Y194-N236 PolarHBondContact N-O 3.3Å; Y194-Y237 AromaticContact CD1-CD2 3.31Å; Y194-Y237 HydrophobicContact CD1-CD2 3.31Å; Y194-Y237 AromaticContact CD1-CE2 3.34Å; Y194-Y237 HydrophobicContact CD1-CE2 3.34Å; Y194-Y237 HydrophobicContact CD1-CG 4.46Å; Y194-Y237 HydrophobicContact CE1-CD2 4.04Å; Y194-Y237 AromaticContact CE1-CE2 3.6Å; Y194-Y237 HydrophobicContact CE1-CE2 3.6Å; Y194-Y237 HydrophobicContact CG-CD2 4.08Å; Y194-Y237 HydrophobicContact CG-CE2 4.47Å; Y194-L238 PolarHBondContact O-N 3.09Å; Y194-I334 HydrophobicContact CD1-CD1 4.26Å; Y194-I334 HydrophobicContact CE1-CD1 4.05Å; Y194-E630 HydrophobicContact CE1-CB 3.99Å
195	A	78.8	Confident	67.6	Low	17 Å²	17	80.5 Å²	80.5	14%	0.14	41%	0.413	C	S	.	.			trans	-160.3	162.1	175.5	0	0	0	0	0	109.7	I183 I193 N197 L238 G629	I183-A195 HydrophobicContact CD1-CB 3.48Å; I183-A195 VanDerWaalsContact CD1-CB 3.48Å; I183-A195 HydrophobicContact CG1-CB 4.38Å; I193-A195 HydrophobicContact CG2-CB 4.34Å; A195-N197 PolarHBondContact O-N 2.83Å; A195-L238 HydrophobicContact CB-CB 4.02Å; A195-L238 HydrophobicContact CB-CD2 4.28Å; A195-G629 CarbonylContact C-O 3.6Å; A195-G629 WeakPolarHBondContact CA-O 3.46Å
196	F	74.8	Confident	64.5	Low	35 Å²	35	85.5 Å²	85.5	15%	0.154	44%	0.441	C	S	.	.			trans	-56.7	134.8	174.3	-175.6	-107.4	0	0	0	111	Y179 G629 E630	Y179-F196 HydrophobicContact CE1-CB 4.22Å; Y179-F196 HydrophobicContact CE1-CD1 4.21Å; Y179-F196 WeakPolarHBondContact OH-CB 3.48Å; Y179-F196 PolarHBondContact OH-N 2.93Å; F196-G629 WeakPolarHBondContact CB-O 3.41Å; F196-G629 PolarHBondContact N-O 2.78Å; F196-E630 VanDerWaalsContact CB-O 3.31Å; F196-E630 WeakPolarHBondContact CB-O 3.44Å; F196-E630 VanDerWaalsContact CD2-O 3.24Å; F196-E630 WeakPolarHBondContact CD2-O 3.31Å
197	N	65.1	Low	61.2	Low	38 Å²	38	92.1 Å²	92.1	20%	0.203	48%	0.476	C	S	.	.			trans	-131.2	110.4	175.1	-172.3	-7.6	0	0	0	109.4	A195 F199 I200	A195-N197 PolarHBondContact O-N 2.83Å; N197-F199 VanDerWaalsContact C-N 3.25Å; N197-F199 PolarHBondContact O-N 3.49Å; N197-F199 WeakPolarHBondContact OD1-CD2 3.49Å; N197-F199 PolarHBondContact OD1-N 3.37Å; N197-I200 HydrophobicContact CB-CD1 3.9Å; N197-I200 HydrophobicContact CB-CG1 4.09Å; N197-I200 PolarHBondContact O-N 3.21Å
198	S	56.6	Low	58.2	Low	44 Å²	44	95.1 Å²	95.1	31%	0.308	50%	0.496	S	S	.	.	H	α-helix	trans	-61.5	-33.5	-178	53.3	0	0	0	0	112.5	Q180 I200 K201	Q180-S198 PolarHBondContact NE2-OG 2.83Å; S198-I200 PolarHBondContact O-N 3.2Å; S198-K201 PolarHBondContact O-N 3.19Å
199	F	53.2	Low	55.2	Low	129 Å²	129	94.9 Å²	94.9	57%	0.566	50%	0.495	S	S	*	.	H	α-helix	trans	-68.7	-15.2	-176.5	-62	-76.4	0	0	0	114.3	N197 T202	N197-F199 VanDerWaalsContact C-N 3.25Å; N197-F199 PolarHBondContact O-N 3.49Å; N197-F199 WeakPolarHBondContact OD1-CD2 3.49Å; N197-F199 PolarHBondContact OD1-N 3.37Å; F199-T202 PolarHBondContact O-OG1 3.38Å
200	I	52.2	Low	52.1	Low	106 Å²	106	96.5 Å²	96.5	54%	0.544	51%	0.509	S	S	.	.	H	α-helix	trans	-78.7	-29.2	177.6	-61.6	178.7	0	0	0	111.2	N197 S198	N197-I200 HydrophobicContact CB-CD1 3.9Å; N197-I200 HydrophobicContact CB-CG1 4.09Å; N197-I200 PolarHBondContact O-N 3.21Å; S198-I200 PolarHBondContact O-N 3.2Å
201	K	44.8	Very low	49.1	Very low	125 Å²	125	102.4 Å²	102.4	54%	0.543	54%	0.543	S	S	.	.	H	α-helix	trans	-71	-36.4	177.1	-84	-176.3	174.4	-179.7	0	112.4	S198	S198-K201 PolarHBondContact O-N 3.19Å
202	T	34.1	Very low	46.7	Very low	71 Å²	71	103.5 Å²	103.5	44%	0.436	55%	0.548	S	S	.	.	H	α-helix	trans	-73.2	-35.9	-177.8	48.8	0	0	0	0	112.9	F199 K204 S205 L206	F199-T202 PolarHBondContact O-OG1 3.38Å; T202-K204 VanDerWaalsContact C-N 3.33Å; T202-K204 PolarHBondContact O-N 3.13Å; T202-S205 PolarHBondContact O-N 3.34Å; T202-S205 VanDerWaalsContact O-N 3.12Å; T202-L206 PolarHBondContact O-N 3.45Å
203	N	28.5	Very low	44.4	Very low	110 Å²	110	103.6 Å²	103.6	59%	0.588	55%	0.549	S	S	*	.	H	α-helix	trans	-71.2	-21.9	179.5	-79	-8.6	0	0	0	114.4	S205	N203-S205 VanDerWaalsContact C-N 3.31Å
204	K	32.5	Very low	41.7	Very low	142 Å²	142	110.1 Å²	110.1	62%	0.617	58%	0.584	S	S	*	*	H	α-helix	trans	-74.5	-19.5	171.1	-81	-173.2	174.3	-176	0	112.7	T202 D221	T202-K204 VanDerWaalsContact C-N 3.33Å; T202-K204 PolarHBondContact O-N 3.13Å; K204-D221 IonicContact NZ-OD1 3.64Å; K204-D221 PolarHBondContact NZ-OD1 2.99Å; K204-D221 IonicContact NZ-OD2 2.89Å
205	S	33.2	Very low	39	Very low	97 Å²	97	112.3 Å²	112.3	68%	0.678	60%	0.603	S	S	*	*	H	α-helix	trans	-92.7	-26.5	178.7	177.8	0	0	0	0	114.1	T202 N203	T202-S205 PolarHBondContact O-N 3.34Å; T202-S205 VanDerWaalsContact O-N 3.12Å; N203-S205 VanDerWaalsContact C-N 3.31Å
206	L	28.4	Very low	36.4	Very low	129 Å²	129	119.2 Å²	119.2	68%	0.675	64%	0.637	S	S	*	*	H	α-helix	trans	-94.2	-15.9	-172.6	-87.7	138	0	0	0	114.7	T202	T202-L206 PolarHBondContact O-N 3.45Å
207	N	26.2	Very low	33.9	Very low	140 Å²	140	122.3 Å²	122.3	75%	0.749	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	11.4	-177.6	-95.7	1.8	0	0	0	115.6
208	N	27.8	Very low	32.1	Very low	145 Å²	145	127.4 Å²	127.4	78%	0.775	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	15.4	177.3	-92.7	5	0	0	0	115.3
209	N	26.8	Very low	30.7	Very low	149 Å²	149	129.1 Å²	129.1	80%	0.797	70%	0.695	S	S	*	*	S	Bend	trans	-111.5	72.3	166.6	-78.4	-11.7	0	0	0	109.9
210	N	26.1	Very low	29.3	Very low	147 Å²	147	128 Å²	128	79%	0.786	69%	0.694	S	S	*	*	S	Bend	trans	169.7	96.4	149.4	-86.1	-22.8	0	0	0	109.8
211	N	27.4	Very low	28.2	Very low	158 Å²	158	129.6 Å²	129.6	85%	0.845	71%	0.705	S	S	*	*			trans	150.9	110.1	135.7	-76.7	-24.9	0	0	0	111.6	S213	N211-S213 PolarHBondContact O-N 3.28Å
212	N	25.4	Very low	27.2	Very low	171 Å²	171	128.8 Å²	128.8	91%	0.914	71%	0.706	S	S	*	*			trans	-49.1	122.6	156.3	-73.5	-32.7	0	0	0	110.6
213	S	27.7	Very low	26.9	Very low	104 Å²	104	132.2 Å²	132.2	73%	0.727	72%	0.722	S	S	*	*			trans	162.8	110.1	140.9	171.5	0	0	0	0	109.6	N211 N215	N211-S213 PolarHBondContact O-N 3.28Å; S213-N215 PolarHBondContact O-N 3.44Å
214	N	24.3	Very low	26.8	Very low	154 Å²	154	134 Å²	134	82%	0.824	73%	0.731	S	S	*	*			trans	7.9	102.9	147.9	-66.8	-18.2	0	0	0	115.7
215	N	24.5	Very low	26.8	Very low	148 Å²	148	133.4 Å²	133.4	79%	0.791	74%	0.735	S	S	*	*			trans	-161.2	106.9	145.6	-94	-29.6	0	0	0	109.8	S213 N217	S213-N215 PolarHBondContact O-N 3.44Å; N215-N217 PolarHBondContact O-N 2.82Å
216	N	23.8	Very low	26.8	Very low	161 Å²	161	137.2 Å²	137.2	86%	0.861	75%	0.748	S	S	*	*			trans	-53.9	103.7	159.8	-67.6	-34.4	0	0	0	108.3
217	N	23.6	Very low	27.5	Very low	100 Å²	100	133.3 Å²	133.3	54%	0.535	74%	0.739	S	S	.	*			trans	-164.8	67.6	166	-87.4	-31.1	0	0	0	109.6	N215 S219	N215-N217 PolarHBondContact O-N 2.82Å; N217-S219 PolarHBondContact O-N 3Å
218	D	27.1	Very low	28.6	Very low	145 Å²	145	131.2 Å²	131.2	78%	0.775	73%	0.731	S	S	*	*			trans	-73.5	64.2	158.4	-88.3	-24.3	0	0	0	109.2	N133	N133-D218 PolarHBondContact ND2-OD2 3.21Å
219	S	27.6	Very low	29.9	Very low	81 Å²	81	126.7 Å²	126.7	57%	0.566	71%	0.706	S	S	*	*			trans	-165.1	55.3	172.7	59.4	0	0	0	0	109.1	N217	N217-S219 PolarHBondContact O-N 3Å
220	N	22.8	Very low	31.6	Very low	104 Å²	104	120.1 Å²	120.1	56%	0.556	67%	0.671	S	S	*	*			trans	-134.1	56.5	175.2	-87	-23.1	0	0	0	110.9	N222	N220-N222 PolarHBondContact O-N 3.09Å; N220-N222 PolarHBondContact OD1-ND2 2.9Å
221	D	29.8	Very low	33.5	Very low	141 Å²	141	116.9 Å²	116.9	75%	0.754	65%	0.651	S	S	*	*			trans	-81.5	57.1	134.7	-86.8	-20.4	0	0	0	106.8	K204 N223	K204-D221 IonicContact NZ-OD1 3.64Å; K204-D221 PolarHBondContact NZ-OD1 2.99Å; K204-D221 IonicContact NZ-OD2 2.89Å; D221-N223 VanDerWaalsContact C-N 3.29Å; D221-N223 PolarHBondContact O-N 3.34Å
222	N	23.5	Very low	35.6	Very low	108 Å²	108	111.5 Å²	111.5	58%	0.578	63%	0.625	S	S	*	*			trans	-90.2	68.8	173	-95.5	-21.4	0	0	0	108.3	N220 N224	N220-N222 PolarHBondContact O-N 3.09Å; N220-N222 PolarHBondContact OD1-ND2 2.9Å; N222-N224 PolarHBondContact O-N 3.42Å
223	N	28.5	Very low	38.1	Very low	142 Å²	142	103.7 Å²	103.7	76%	0.759	58%	0.583	S	S	*	*			trans	-78.3	106.6	145.7	-91.4	-21.6	0	0	0	105.9	D221 N225	D221-N223 VanDerWaalsContact C-N 3.29Å; D221-N223 PolarHBondContact O-N 3.34Å; N223-N225 PolarHBondContact O-N 2.85Å
224	N	26.7	Very low	40.7	Very low	149 Å²	149	102.3 Å²	102.3	80%	0.797	56%	0.563	S	S	*	*			trans	-59.8	60.8	168.4	-84.4	-24.4	0	0	0	111.6	N222	N222-N224 PolarHBondContact O-N 3.42Å
225	N	32.5	Very low	43.6	Very low	129 Å²	129	98.1 Å²	98.1	69%	0.69	54%	0.54	S	S	*	.			trans	-98.6	110.5	170.8	-78.2	-14.3	0	0	0	107.7	N223 G227	N223-N225 PolarHBondContact O-N 2.85Å; N225-G227 PolarHBondContact O-N 2.75Å
226	N	33	Very low	46.8	Very low	177 Å²	177	91.6 Å²	91.6	95%	0.947	51%	0.505	S	S	*	.			trans	-57.3	28.1	157.9	-71.1	-26.4	0	0	0	112.9	T228	N226-T228 PolarHBondContact O-N 3Å
227	G	42.7	Very low	49.9	Very low	47 Å²	47	84.3 Å²	84.3	49%	0.485	47%	0.466	S	S	.	.			trans	-74.1	119.1	171.6	0	0	0	0	0	108.2	N225 L229	N225-G227 PolarHBondContact O-N 2.75Å; G227-L229 PolarHBondContact O-N 2.85Å
228	T	48.5	Very low	53.2	Low	95 Å²	95	79.6 Å²	79.6	58%	0.583	44%	0.44	S	S	*	.			trans	-54	129.2	175.2	48	0	0	0	0	110	N226 F230 E231	N226-T228 PolarHBondContact O-N 3Å; T228-F230 PolarHBondContact O-N 2.94Å; T228-E231 WeakPolarHBondContact O-CB 3.48Å; T228-E231 WeakPolarHBondContact O-CG 2.96Å; T228-E231 PolarHBondContact O-N 2.83Å
229	L	55.7	Low	56.3	Low	50 Å²	50	73.2 Å²	73.2	26%	0.262	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.5	-35.5	-167.3	-170	83.2	0	0	0	116.8	G227 E231 P232 H369 Y371	G227-L229 PolarHBondContact O-N 2.85Å; L229-E231 PolarHBondContact O-N 3.36Å; L229-P232 WeakPolarHBondContact O-CD 3.42Å; L229-H369 HydrophobicContact CD1-CB 3.88Å; L229-H369 HydrophobicContact CD2-CB 3.71Å; L229-H369 HydrophobicContact CG-CB 4.26Å; L229-Y371 HydrophobicContact CB-CG 4.46Å; L229-Y371 HydrophobicContact CD2-CD1 3.94Å; L229-Y371 HydrophobicContact CD2-CG 3.76Å
230	F	62.2	Low	59.4	Low	12 Å²	12	69.4 Å²	69.4	5%	0.053	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-1.6	-177.1	-48.8	-51.8	0	0	0	113.8	T228 P232 L233 K234 Y371 W372 D457 P458 D459	T228-F230 PolarHBondContact O-N 2.94Å; F230-P232 VanDerWaalsContact C-N 3.26Å; F230-L233 PolarHBondContact O-N 3.01Å; F230-K234 PolarHBondContact O-N 3.06Å; F230-Y371 HydrophobicContact CE1-CD1 4.49Å; F230-Y371 HydrophobicContact CE2-CE1 4.2Å; F230-Y371 AromaticContact CZ-CD1 3.95Å; F230-Y371 HydrophobicContact CZ-CD1 3.95Å; F230-Y371 AromaticContact CZ-CE1 3.67Å; F230-Y371 HydrophobicContact CZ-CE1 3.67Å; F230-W372 HydrophobicContact CE1-CZ2 4.35Å; F230-W372 HydrophobicContact CZ-CZ2 4.41Å; F230-D457 WeakPolarHBondContact CD2-OD1 3.1Å; F230-D457 WeakPolarHBondContact CE2-OD1 3.4Å; F230-P458 HydrophobicContact CD1-CB 4.26Å; F230-P458 HydrophobicContact CD1-CG 3.57Å; F230-P458 HydrophobicContact CE1-CB 3.71Å; F230-P458 HydrophobicContact CE1-CG 3.55Å; F230-P458 HydrophobicContact CG-CG 4.37Å; F230-P458 HydrophobicContact CZ-CB 4.17Å; F230-P458 HydrophobicContact CZ-CG 4.35Å; F230-D459 HydrophobicContact CE2-CB 4.47Å
231	E	66.4	Low	62.9	Low	79 Å²	79	64.5 Å²	64.5	37%	0.369	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-44.5	-42.8	173.5	-88.2	-74	144.6	0	0	113.4	T228 L229 L233 K234 M235	T228-E231 WeakPolarHBondContact O-CB 3.48Å; T228-E231 WeakPolarHBondContact O-CG 2.96Å; T228-E231 PolarHBondContact O-N 2.83Å; L229-E231 PolarHBondContact O-N 3.36Å; E231-L233 VanDerWaalsContact C-N 3.3Å; E231-L233 PolarHBondContact O-N 3.03Å; E231-K234 CarbonylContact O-C 3.14Å; E231-K234 VanDerWaalsContact O-CA 3.24Å; E231-K234 WeakPolarHBondContact O-CA 3.3Å; E231-K234 WeakPolarHBondContact O-CB 3.46Å; E231-K234 PolarHBondContact O-N 2.93Å; E231-M235 HydrophobicContact CB-CE 4.22Å; E231-M235 WeakPolarHBondContact O-CG 3.37Å; E231-M235 PolarHBondContact O-N 3.49Å
232	P	71.5	Confident	66	Low	45 Å²	45	58 Å²	58	29%	0.292	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-58.5	-34.9	179.3	-26	37	0	0	0	114.6	L229 F230 K234 M235 I334	L229-P232 WeakPolarHBondContact O-CD 3.42Å; F230-P232 VanDerWaalsContact C-N 3.26Å; P232-K234 VanDerWaalsContact C-N 3.26Å; P232-M235 PolarHBondContact O-N 3.46Å; P232-I334 HydrophobicContact CB-CD1 4.16Å; P232-I334 HydrophobicContact CB-CG2 3.84Å
233	L	77.8	Confident	69.4	Low	6 Å²	6	52.9 Å²	52.9	3%	0.031	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-72.5	-23.3	172.7	-71.9	176.6	0	0	0	112.4	F230 E231 Y326 I334 E335 M338 P458	F230-L233 PolarHBondContact O-N 3.01Å; E231-L233 VanDerWaalsContact C-N 3.3Å; E231-L233 PolarHBondContact O-N 3.03Å; L233-Y326 PolarHBondContact O-OH 2.8Å; L233-I334 HydrophobicContact CD2-CB 4.45Å; L233-I334 HydrophobicContact CD2-CG2 3.86Å; L233-I334 HydrophobicContact CG-CG2 4.09Å; L233-E335 HydrophobicContact CD2-CB 3.79Å; L233-E335 HydrophobicContact CD2-CG 4.3Å; L233-M338 HydrophobicContact CD1-CG 4.15Å; L233-P458 HydrophobicContact CD1-CG 4.18Å
234	K	83	Confident	72.6	Confident	75 Å²	75	49.7 Å²	49.7	33%	0.326	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-95.5	6.8	175.3	-62	176.5	-179.3	173.1	0	112.4	F230 E231 P232 G297 S298 L456	F230-K234 PolarHBondContact O-N 3.06Å; E231-K234 CarbonylContact O-C 3.14Å; E231-K234 VanDerWaalsContact O-CA 3.24Å; E231-K234 WeakPolarHBondContact O-CA 3.3Å; E231-K234 WeakPolarHBondContact O-CB 3.46Å; E231-K234 PolarHBondContact O-N 2.93Å; P232-K234 VanDerWaalsContact C-N 3.26Å; K234-G297 CarbonylContact O-C 2.98Å; K234-S298 WeakPolarHBondContact O-CA 3.41Å; K234-S298 VanDerWaalsContact O-CB 3.26Å; K234-S298 WeakPolarHBondContact O-CB 3.25Å; K234-S298 PolarHBondContact O-N 2.96Å; K234-L456 HydrophobicContact CG-CB 4.47Å
235	M	85.1	Confident	75.8	Confident	66 Å²	66	43.8 Å²	43.8	33%	0.325	24%	0.236	S	C	.	.	S	Bend	trans	-83.6	166.7	175.5	-78.4	-179.7	-174	0	0	111.7	E231 P232 G297	E231-M235 HydrophobicContact CB-CE 4.22Å; E231-M235 WeakPolarHBondContact O-CG 3.37Å; E231-M235 PolarHBondContact O-N 3.49Å; P232-M235 PolarHBondContact O-N 3.46Å; M235-G297 WeakPolarHBondContact O-CA 3.46Å; M235-G297 PolarHBondContact O-N 2.64Å
236	N	90.6	Very high	78.7	Confident	11 Å²	11	38 Å²	38	6%	0.059	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	121.6	163.3	-57.3	-36.7	0	0	0	108	N191 I193 Y194 L295 F296 S298	N191-N236 PolarHBondContact O-ND2 3.25Å; I193-N236 CarbonylContact C-O 3.49Å; I193-N236 WeakPolarHBondContact CA-O 2.93Å; I193-N236 HydrophobicContact CG1-CB 3.98Å; Y194-N236 PolarHBondContact N-O 3.3Å; N236-L295 CarbonylContact C-O 3.52Å; N236-L295 VanDerWaalsContact CA-O 3.29Å; N236-L295 WeakPolarHBondContact CA-O 3Å; N236-F296 HydrophobicContact CB-CD1 4.31Å; N236-F296 WeakPolarHBondContact OD1-CA 3.46Å; N236-F296 WeakPolarHBondContact OD1-CD1 3.21Å; N236-S298 VanDerWaalsContact CG-OG 3.27Å; N236-S298 PolarHBondContact ND2-OG 3.44Å; N236-S298 PolarHBondContact OD1-OG 3.11Å
237	Y	88.8	Confident	81.6	Confident	9 Å²	9	31.4 Å²	31.4	4%	0.035	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	123.8	-172.4	179	-84.9	0	0	0	109.7	Y194 W239 I294 L295 T332 I334 E630	Y194-Y237 AromaticContact CD1-CD2 3.31Å; Y194-Y237 HydrophobicContact CD1-CD2 3.31Å; Y194-Y237 AromaticContact CD1-CE2 3.34Å; Y194-Y237 HydrophobicContact CD1-CE2 3.34Å; Y194-Y237 HydrophobicContact CD1-CG 4.46Å; Y194-Y237 HydrophobicContact CE1-CD2 4.04Å; Y194-Y237 AromaticContact CE1-CE2 3.6Å; Y194-Y237 HydrophobicContact CE1-CE2 3.6Å; Y194-Y237 HydrophobicContact CG-CD2 4.08Å; Y194-Y237 HydrophobicContact CG-CE2 4.47Å; Y237-W239 HydrophobicContact CD1-CB 4.08Å; Y237-W239 HydrophobicContact CE1-CB 4.1Å; Y237-W239 PolarHBondContact O-N 2.89Å; Y237-I294 CarbonylContact O-C 3.36Å; Y237-I294 WeakPolarHBondContact O-CA 3.37Å; Y237-L295 HydrophobicContact CD1-CD1 3.81Å; Y237-L295 HydrophobicContact CD1-CG 4.24Å; Y237-L295 HydrophobicContact CE1-CD1 4.46Å; Y237-L295 PolarHBondContact N-O 3.19Å; Y237-L295 PolarHBondContact O-N 3.19Å; Y237-T332 HydrophobicContact CE1-CG2 4.19Å; Y237-I334 HydrophobicContact CD2-CD1 3.86Å; Y237-I334 HydrophobicContact CE2-CD1 3.7Å; Y237-I334 HydrophobicContact CE2-CG1 4.44Å; Y237-E630 HydrophobicContact CE2-CB 4.32Å; Y237-E630 WeakPolarHBondContact OH-CB 3.48Å; Y237-E630 WeakPolarHBondContact OH-CG 3.2Å; Y237-E630 PolarHBondContact OH-OE2 2.95Å
238	L	92.8	Very high	84	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	111.8	169.7	179.6	69.2	0	0	0	108	Y179 I183 L186 I193 Y194 A195 S240 A292 I294 G629	Y179-L238 HydrophobicContact CE2-CD2 4.22Å; I183-L238 HydrophobicContact CD1-CD2 3.3Å; L186-L238 HydrophobicContact CD1-CD1 4.08Å; L186-L238 HydrophobicContact CD1-CD2 4.46Å; I193-L238 HydrophobicContact CG2-CB 4.12Å; Y194-L238 PolarHBondContact O-N 3.09Å; A195-L238 HydrophobicContact CB-CB 4.02Å; A195-L238 HydrophobicContact CB-CD2 4.28Å; L238-S240 WeakPolarHBondContact CD1-O 3.45Å; L238-A292 HydrophobicContact CD1-CB 4.05Å; L238-I294 HydrophobicContact CD1-CG1 3.89Å; L238-G629 VanDerWaalsContact O-CA 3.23Å; L238-G629 WeakPolarHBondContact O-CA 3.3Å
239	W	91.8	Very high	86	Confident	12 Å²	12	31.5 Å²	31.5	5%	0.045	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-44.9	179.9	-179.6	82.1	0	0	0	112.5	Y237 I293 L295 P330 S628 G629 I897	Y237-W239 HydrophobicContact CD1-CB 4.08Å; Y237-W239 HydrophobicContact CE1-CB 4.1Å; Y237-W239 PolarHBondContact O-N 2.89Å; W239-I293 HydrophobicContact CB-CG2 4.36Å; W239-I293 HydrophobicContact CE3-CB 4.07Å; W239-I293 HydrophobicContact CE3-CD1 4.08Å; W239-I293 HydrophobicContact CE3-CG2 4.08Å; W239-I293 HydrophobicContact CZ3-CD1 4.05Å; W239-I293 PolarHBondContact N-O 2.92Å; W239-L295 HydrophobicContact CB-CD1 4.14Å; W239-L295 HydrophobicContact CB-CD2 4.24Å; W239-L295 HydrophobicContact CB-CG 3.95Å; W239-L295 HydrophobicContact CG-CD1 4.48Å; W239-P330 HydrophobicContact CD2-CG 4.29Å; W239-P330 HydrophobicContact CH2-CG 4.13Å; W239-P330 HydrophobicContact CZ2-CB 3.72Å; W239-P330 HydrophobicContact CZ2-CG 3.5Å; W239-S628 CarbonylContact O-C 3.53Å; W239-S628 VanDerWaalsContact O-CA 3.3Å; W239-S628 WeakPolarHBondContact O-CA 3.18Å; W239-G629 PolarHBondContact O-N 2.81Å; W239-I897 HydrophobicContact CE3-CD1 3.84Å; W239-I897 HydrophobicContact CH2-CB 4.4Å; W239-I897 HydrophobicContact CH2-CD1 3.34Å; W239-I897 HydrophobicContact CH2-CG1 4.44Å; W239-I897 HydrophobicContact CH2-CG2 4.35Å; W239-I897 HydrophobicContact CZ2-CD1 4.29Å; W239-I897 HydrophobicContact CZ3-CD1 3.08Å; W239-I897 HydrophobicContact CZ3-CG1 4.47Å
240	S	93.6	Very high	87.7	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.007	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	157.3	175.4	67.7	0	0	0	0	112.4	L238 A292 I293 R553	L238-S240 WeakPolarHBondContact CD1-O 3.45Å; S240-A292 WeakPolarHBondContact O-CA 3.25Å; S240-I293 PolarHBondContact N-O 3.44Å; S240-I293 PolarHBondContact O-N 2.84Å; S240-I293 WeakPolarHBondContact OG-CB 3.24Å; S240-I293 WeakPolarHBondContact OG-CG1 3.41Å; S240-R553 VanDerWaalsContact CB-NH1 3.29Å
241	L	95.4	Very high	89.1	Confident	0 Å²	0	34 Å²	34	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	108.1	165.1	176.9	66.4	0	0	0	107.6	P174 Y179 V182 I291 A292 I626	P174-L241 HydrophobicContact CB-CD2 4.49Å; P174-L241 HydrophobicContact CG-CD2 4.43Å; P174-L241 HydrophobicContact CG-CG 4.29Å; Y179-L241 HydrophobicContact CD2-CD2 3.87Å; V182-L241 HydrophobicContact CB-CD2 3.88Å; V182-L241 HydrophobicContact CG1-CD1 4.07Å; V182-L241 HydrophobicContact CG1-CD2 3.93Å; V182-L241 HydrophobicContact CG2-CD1 4.47Å; V182-L241 HydrophobicContact CG2-CD2 3.99Å; L241-I291 WeakPolarHBondContact CA-O 3.39Å; L241-A292 HydrophobicContact CD1-CB 4.07Å; L241-I626 HydrophobicContact CB-CD1 4.4Å; L241-I626 HydrophobicContact CD2-CD1 4.4Å; L241-I626 WeakPolarHBondContact O-CD1 3.18Å
242	N	95.3	Very high	90.3	Very high	4 Å²	4	31 Å²	31	2%	0.021	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	157.9	178.9	-60.9	-12.9	0	0	0	109.7	E173 Y244 G290 I291 R553 D554	E173-N242 VanDerWaalsContact OE2-CA 3.29Å; E173-N242 WeakPolarHBondContact OE2-CA 3.49Å; N242-Y244 PolarHBondContact O-N 2.76Å; N242-G290 CarbonylContact O-C 3.59Å; N242-G290 WeakPolarHBondContact O-CA 3.29Å; N242-I291 PolarHBondContact N-O 3.36Å; N242-I291 PolarHBondContact O-N 2.93Å; N242-R553 WeakPolarHBondContact OD1-CD 3.48Å; N242-D554 PolarHBondContact ND2-OD1 2.78Å; N242-D554 PolarHBondContact ND2-OD2 3.22Å
243	L	96.2	Very high	91.1	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	133.7	171	-175.9	75.8	0	0	0	110.4	I170 F171 D172 E173 I245 R288 Y289 L312	I170-L243 WeakPolarHBondContact O-CD2 3.39Å; F171-L243 VanDerWaalsContact C-CD2 3.4Å; F171-L243 VanDerWaalsContact CA-CD2 3.41Å; F171-L243 HydrophobicContact CB-CD2 4.47Å; F171-L243 WeakPolarHBondContact O-CD2 3.42Å; D172-L243 VanDerWaalsContact O-CD2 3.28Å; D172-L243 WeakPolarHBondContact O-CD2 3.47Å; E173-L243 PolarHBondContact OE2-N 3Å; L243-I245 HydrophobicContact CD2-CD1 3.71Å; L243-I245 HydrophobicContact CG-CD1 4.41Å; L243-I245 PolarHBondContact O-N 3.05Å; L243-R288 HydrophobicContact CD1-CB 4.08Å; L243-R288 HydrophobicContact CD1-CG 4.4Å; L243-Y289 WeakPolarHBondContact CD1-O 3.42Å; L243-L312 HydrophobicContact CD1-CD1 4.04Å
244	Y	95.7	Very high	91.7	Very high	75 Å²	75	34.5 Å²	34.5	29%	0.294	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	115.8	162.3	174.7	-99.8	0	0	0	109.2	N242 P246 Y289 I291 L308	N242-Y244 PolarHBondContact O-N 2.76Å; Y244-P246 WeakPolarHBondContact O-CD 3.45Å; Y244-Y289 WeakPolarHBondContact CB-O 3.42Å; Y244-Y289 PolarHBondContact N-O 2.79Å; Y244-I291 HydrophobicContact CD2-CD1 4.11Å; Y244-I291 HydrophobicContact CD2-CG1 4.15Å; Y244-L308 HydrophobicContact CD1-CD1 4.07Å; Y244-L308 HydrophobicContact CD2-CD1 3.69Å; Y244-L308 HydrophobicContact CE2-CD1 4.33Å; Y244-L308 HydrophobicContact CG-CD1 3.53Å
245	I	94	Very high	92	Very high	24 Å²	24	31.2 Å²	31.2	12%	0.123	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-77.3	121.8	172.8	-58.2	-62.6	0	0	0	108.1	F171 L243 F560	F171-I245 HydrophobicContact CB-CD1 4.14Å; F171-I245 HydrophobicContact CD1-CD1 4.12Å; L243-I245 HydrophobicContact CD2-CD1 3.71Å; L243-I245 HydrophobicContact CG-CD1 4.41Å; L243-I245 PolarHBondContact O-N 3.05Å; I245-F560 HydrophobicContact CD1-CZ 4.29Å; I245-F560 HydrophobicContact CG2-CE1 4.04Å; I245-F560 HydrophobicContact CG2-CZ 4.11Å
246	P	92.7	Very high	92.1	Very high	8 Å²	8	31.3 Å²	31.3	5%	0.052	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-54	154.4	174.8	-24.1	32.6	0	0	0	112	F171 Y244 E250 R251 F286	F171-P246 HydrophobicContact CE1-CG 4.26Å; Y244-P246 WeakPolarHBondContact O-CD 3.45Å; P246-E250 HydrophobicContact CB-CB 3.79Å; P246-E250 WeakPolarHBondContact CB-OE2 3.15Å; P246-R251 HydrophobicContact CB-CG 4.08Å; P246-R251 WeakPolarHBondContact O-CD 3.46Å; P246-R251 WeakPolarHBondContact O-CG 3.08Å; P246-R251 PolarHBondContact O-NH1 2.86Å; P246-F286 HydrophobicContact CG-CD2 3.95Å; P246-F286 HydrophobicContact CG-CE2 3.35Å; P246-F286 HydrophobicContact CG-CZ 3.78Å
247	N	93.5	Very high	91.8	Very high	38 Å²	38	32 Å²	32	20%	0.203	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-67.9	169.6	-179.6	75.3	12.8	0	0	0	112.2	K249 E250 R251 D889	N247-K249 VanDerWaalsContact C-N 3.25Å; N247-K249 PolarHBondContact O-N 2.91Å; N247-K249 PolarHBondContact OD1-N 3.26Å; N247-E250 PolarHBondContact N-OE2 3.48Å; N247-E250 PolarHBondContact O-N 3.19Å; N247-E250 WeakPolarHBondContact OD1-CB 3.46Å; N247-E250 VanDerWaalsContact OD1-CG 3.26Å; N247-E250 WeakPolarHBondContact OD1-CG 3.29Å; N247-E250 PolarHBondContact OD1-N 3.41Å; N247-R251 WeakPolarHBondContact O-CG 3.48Å; N247-R251 PolarHBondContact O-N 2.92Å; N247-D889 HydrophobicContact CB-CB 4.07Å; N247-D889 VanDerWaalsContact CB-CG 3.5Å; N247-D889 WeakPolarHBondContact CB-OD2 3.26Å; N247-D889 PolarHBondContact ND2-OD2 3.29Å; N247-D889 VanDerWaalsContact ND2-OD2 3.15Å
248	K	93	Very high	91.3	Very high	3 Å²	3	33.1 Å²	33.1	1%	0.013	16%	0.161	C	C	.	.	H	α-helix	trans	-59.4	-38.1	-171.8	-172	174.5	-177	175.1	0	112.2	S252 S571 D759 D761 Q887 D889 D924	K248-S252 WeakPolarHBondContact O-CB 3.36Å; K248-S252 PolarHBondContact O-N 2.78Å; K248-S252 PolarHBondContact O-OG 2.91Å; K248-S571 WeakPolarHBondContact CE-OG 3.48Å; K248-D759 WeakPolarHBondContact CD-OD2 3.18Å; K248-D759 IonicContact NZ-OD1 3.6Å; K248-D759 PolarHBondContact NZ-OD1 3.29Å; K248-D759 IonicContact NZ-OD2 3.93Å; K248-D761 WeakPolarHBondContact CE-OD1 3.41Å; K248-D761 WeakPolarHBondContact CE-OD2 3.48Å; K248-D761 VanDerWaalsContact NZ-CG 3.34Å; K248-D761 IonicContact NZ-OD1 3.64Å; K248-D761 PolarHBondContact NZ-OD1 2.81Å; K248-D761 IonicContact NZ-OD2 2.89Å; K248-D761 PolarHBondContact NZ-OD2 2.83Å; K248-Q887 HydrophobicContact CD-CG 3.99Å; K248-D889 PolarHBondContact N-OD1 3.34Å; K248-D924 WeakPolarHBondContact CE-OD2 3.29Å; K248-D924 IonicContact NZ-OD1 3.77Å; K248-D924 PolarHBondContact NZ-OD1 3.16Å; K248-D924 IonicContact NZ-OD2 3.56Å; K248-D924 PolarHBondContact NZ-OD2 3.44Å
249	K	91	Very high	90.6	Very high	142 Å²	142	36 Å²	36	62%	0.617	18%	0.177	S	C	*	.	H	α-helix	trans	-64.4	-47.4	178.2	-175.7	177.1	-179.7	176.7	0	112.6	N247 S252 N253	N247-K249 VanDerWaalsContact C-N 3.25Å; N247-K249 PolarHBondContact O-N 2.91Å; N247-K249 PolarHBondContact OD1-N 3.26Å; K249-S252 PolarHBondContact O-N 2.95Å; K249-N253 PolarHBondContact O-N 3.37Å; K249-N253 VanDerWaalsContact O-N 3.07Å; K249-N253 PolarHBondContact O-ND2 3.25Å
250	E	91.2	Very high	89.8	Confident	99 Å²	99	44.1 Å²	44.1	46%	0.463	21%	0.207	S	C	.	.	H	α-helix	trans	-62.8	-44.1	177.7	-72.2	171.4	163.6	0	0	111.3	P246 N247 N253 Y254	P246-E250 HydrophobicContact CB-CB 3.79Å; P246-E250 WeakPolarHBondContact CB-OE2 3.15Å; N247-E250 PolarHBondContact N-OE2 3.48Å; N247-E250 PolarHBondContact O-N 3.19Å; N247-E250 WeakPolarHBondContact OD1-CB 3.46Å; N247-E250 VanDerWaalsContact OD1-CG 3.26Å; N247-E250 WeakPolarHBondContact OD1-CG 3.29Å; N247-E250 PolarHBondContact OD1-N 3.41Å; E250-N253 PolarHBondContact O-N 3.38Å; E250-Y254 PolarHBondContact O-N 3.23Å; E250-Y254 VanDerWaalsContact O-N 3.08Å
251	R	92.5	Very high	88.6	Confident	15 Å²	15	47.4 Å²	47.4	6%	0.057	22%	0.224	C	C	.	.	H	α-helix	trans	-60.7	-46.7	174.6	-65.7	-169.4	-51.7	-117.7	19.3	112	F171 P246 N247 N253 Y254 F255 E572	F171-R251 HydrophobicContact CE1-CG 4.18Å; F171-R251 HydrophobicContact CZ-CG 4.1Å; P246-R251 HydrophobicContact CB-CG 4.08Å; P246-R251 WeakPolarHBondContact O-CD 3.46Å; P246-R251 WeakPolarHBondContact O-CG 3.08Å; P246-R251 PolarHBondContact O-NH1 2.86Å; N247-R251 WeakPolarHBondContact O-CG 3.48Å; N247-R251 PolarHBondContact O-N 2.92Å; R251-N253 VanDerWaalsContact C-N 3.29Å; R251-N253 PolarHBondContact O-N 3.28Å; R251-Y254 WeakPolarHBondContact O-CB 3.43Å; R251-Y254 PolarHBondContact O-N 3Å; R251-Y254 VanDerWaalsContact O-N 3.14Å; R251-F255 HydrophobicContact CB-CD2 4.35Å; R251-F255 HydrophobicContact CB-CE2 4.07Å; R251-F255 WeakPolarHBondContact O-CD2 3.2Å; R251-F255 PolarHBondContact O-N 2.79Å; R251-E572 IonicContact CZ-OE2 2.69Å; R251-E572 IonicContact NH1-OE2 3.85Å; R251-E572 PolarHBondContact NH1-OE2 2.9Å; R251-E572 IonicContact NH2-OE2 3.58Å; R251-E572 PolarHBondContact NH2-OE2 2.81Å
252	S	90.1	Very high	87	Confident	16 Å²	16	50.7 Å²	50.7	11%	0.112	24%	0.242	C	C	.	.	H	α-helix	trans	-55.8	-45.2	177.9	-60.1	0	0	0	0	111.2	K248 K249 Y254 F255 N256 K765	K248-S252 WeakPolarHBondContact O-CB 3.36Å; K248-S252 PolarHBondContact O-N 2.78Å; K248-S252 PolarHBondContact O-OG 2.91Å; K249-S252 PolarHBondContact O-N 2.95Å; S252-Y254 PolarHBondContact O-N 2.96Å; S252-F255 PolarHBondContact O-N 2.91Å; S252-N256 WeakPolarHBondContact O-CB 3.29Å; S252-N256 VanDerWaalsContact O-CG 3.22Å; S252-N256 PolarHBondContact O-N 3.1Å; S252-N256 PolarHBondContact O-ND2 3.49Å; S252-N256 VanDerWaalsContact O-ND2 3.12Å; S252-K765 PolarHBondContact OG-NZ 2.89Å
253	N	89.6	Confident	84.8	Confident	100 Å²	100	56.2 Å²	56.2	54%	0.535	27%	0.272	S	S	.	.	H	α-helix	trans	-63.3	-42.3	178.2	-70.8	-21.6	0	0	0	112.2	K249 E250 R251 N256 S257	K249-N253 PolarHBondContact O-N 3.37Å; K249-N253 VanDerWaalsContact O-N 3.07Å; K249-N253 PolarHBondContact O-ND2 3.25Å; E250-N253 PolarHBondContact O-N 3.38Å; R251-N253 VanDerWaalsContact C-N 3.29Å; R251-N253 PolarHBondContact O-N 3.28Å; N253-N256 PolarHBondContact O-N 3.27Å; N253-S257 PolarHBondContact O-N 3.26Å; N253-S257 VanDerWaalsContact O-N 3.09Å
254	Y	89.4	Confident	82.2	Confident	25 Å²	25	63 Å²	63	10%	0.098	30%	0.303	C	S	.	.	H	α-helix	trans	-59.7	-52.4	176	169.6	-105.9	0	0	0	111.7	I170 F171 E250 R251 S252 N256 S257 L258 F286	I170-Y254 HydrophobicContact CG2-CE1 4.04Å; F171-Y254 HydrophobicContact CE2-CD1 4.49Å; F171-Y254 HydrophobicContact CE2-CE1 4.34Å; F171-Y254 HydrophobicContact CZ-CD1 4.26Å; F171-Y254 HydrophobicContact CZ-CE1 4.47Å; E250-Y254 PolarHBondContact O-N 3.23Å; E250-Y254 VanDerWaalsContact O-N 3.08Å; R251-Y254 WeakPolarHBondContact O-CB 3.43Å; R251-Y254 PolarHBondContact O-N 3Å; R251-Y254 VanDerWaalsContact O-N 3.14Å; S252-Y254 PolarHBondContact O-N 2.96Å; Y254-N256 VanDerWaalsContact C-N 3.34Å; Y254-N256 PolarHBondContact O-N 3.04Å; Y254-S257 WeakPolarHBondContact O-CB 3.12Å; Y254-S257 PolarHBondContact O-N 3.28Å; Y254-S257 VanDerWaalsContact O-N 3.11Å; Y254-S257 PolarHBondContact O-OG 3.45Å; Y254-L258 HydrophobicContact CD1-CD1 4.26Å; Y254-L258 HydrophobicContact CE1-CD1 3.59Å; Y254-L258 HydrophobicContact CE1-CG 4.44Å; Y254-L258 HydrophobicContact CE2-CD1 4.26Å; Y254-L258 HydrophobicContact CE2-CG 4.36Å; Y254-L258 PolarHBondContact O-N 3.43Å; Y254-F286 HydrophobicContact CD1-CE1 4.1Å; Y254-F286 AromaticContact CD2-CD1 3.74Å; Y254-F286 HydrophobicContact CD2-CD1 3.74Å; Y254-F286 AromaticContact CD2-CE1 3.7Å; Y254-F286 HydrophobicContact CD2-CE1 3.7Å; Y254-F286 HydrophobicContact CE1-CE1 4.47Å; Y254-F286 HydrophobicContact CE2-CD1 4.35Å; Y254-F286 HydrophobicContact CE2-CE1 4.12Å; Y254-F286 HydrophobicContact CG-CD1 4.01Å; Y254-F286 AromaticContact CG-CE1 3.68Å; Y254-F286 HydrophobicContact CG-CE1 3.68Å
255	F	89.6	Confident	79.6	Confident	6 Å²	6	63.2 Å²	63.2	3%	0.026	32%	0.315	C	S	.	.	H	α-helix	trans	-64.6	-38	-179.2	-66.5	-59	0	0	0	112.6	F171 R251 S252 S257 L258 L259 H548 F560 N561	F171-F255 HydrophobicContact CD2-CZ 4.45Å; F171-F255 HydrophobicContact CE2-CE1 4.02Å; F171-F255 HydrophobicContact CE2-CE2 4.19Å; F171-F255 AromaticContact CE2-CZ 3.43Å; F171-F255 HydrophobicContact CE2-CZ 3.43Å; F171-F255 VanDerWaalsContact CE2-CZ 3.43Å; F171-F255 HydrophobicContact CZ-CE2 4.36Å; F171-F255 HydrophobicContact CZ-CZ 4.02Å; R251-F255 HydrophobicContact CB-CD2 4.35Å; R251-F255 HydrophobicContact CB-CE2 4.07Å; R251-F255 WeakPolarHBondContact O-CD2 3.2Å; R251-F255 PolarHBondContact O-N 2.79Å; S252-F255 PolarHBondContact O-N 2.91Å; F255-S257 VanDerWaalsContact C-N 3.27Å; F255-S257 PolarHBondContact O-N 2.95Å; F255-L258 HydrophobicContact CD1-CD1 4.28Å; F255-L258 WeakPolarHBondContact O-CB 3.48Å; F255-L258 PolarHBondContact O-N 2.72Å; F255-L259 PolarHBondContact O-N 3.48Å; F255-H548 AromaticContact CD1-CE1 3.77Å; F255-H548 AromaticContact CD1-ND1 4Å; F255-H548 HydrophobicContact CE1-CB 4.41Å; F255-H548 AromaticContact CE1-CD2 3.96Å; F255-H548 AromaticContact CE1-CE1 3.46Å; F255-H548 VanDerWaalsContact CE1-CE1 3.46Å; F255-H548 WeakPolarHBondContact CE1-CE1 3.17Å; F255-H548 AromaticContact CE1-CG 3.68Å; F255-H548 AromaticContact CE1-ND1 3.35Å; F255-H548 VanDerWaalsContact CE1-ND1 3.35Å; F255-H548 WeakPolarHBondContact CE1-ND1 3.32Å; F255-H548 AromaticContact CE1-NE2 3.82Å; F255-F560 HydrophobicContact CE2-CB 4.29Å; F255-F560 HydrophobicContact CZ-CB 3.88Å; F255-N561 HydrophobicContact CB-CB 4.49Å; F255-N561 HydrophobicContact CD1-CB 3.97Å; F255-N561 HydrophobicContact CD2-CB 3.38Å; F255-N561 HydrophobicContact CE1-CB 3.93Å; F255-N561 HydrophobicContact CE2-CB 3.32Å; F255-N561 HydrophobicContact CG-CB 3.7Å; F255-N561 WeakPolarHBondContact CG-ND2 3.31Å; F255-N561 HydrophobicContact CZ-CB 3.58Å
256	N	86.5	Confident	76.7	Confident	67 Å²	67	68.9 Å²	68.9	36%	0.358	35%	0.346	S	S	.	.	H	α-helix	trans	-60.5	-35.9	173.6	-77.5	-31.4	0	0	0	112.7	S252 N253 Y254 R260	S252-N256 WeakPolarHBondContact O-CB 3.29Å; S252-N256 VanDerWaalsContact O-CG 3.22Å; S252-N256 PolarHBondContact O-N 3.1Å; S252-N256 PolarHBondContact O-ND2 3.49Å; S252-N256 VanDerWaalsContact O-ND2 3.12Å; N253-N256 PolarHBondContact O-N 3.27Å; Y254-N256 VanDerWaalsContact C-N 3.34Å; Y254-N256 PolarHBondContact O-N 3.04Å; N256-R260 WeakPolarHBondContact O-CG 3.37Å; N256-R260 PolarHBondContact O-N 3.23Å; N256-R260 VanDerWaalsContact O-N 3.15Å
257	S	84.4	Confident	73.8	Confident	25 Å²	25	72.1 Å²	72.1	18%	0.175	37%	0.369	C	S	.	.	H	α-helix	trans	-67.9	-38.7	175.9	78.5	0	0	0	0	112.5	N253 Y254 F255 R260 N261 S284	N253-S257 PolarHBondContact O-N 3.26Å; N253-S257 VanDerWaalsContact O-N 3.09Å; Y254-S257 WeakPolarHBondContact O-CB 3.12Å; Y254-S257 PolarHBondContact O-N 3.28Å; Y254-S257 VanDerWaalsContact O-N 3.11Å; Y254-S257 PolarHBondContact O-OG 3.45Å; F255-S257 VanDerWaalsContact C-N 3.27Å; F255-S257 PolarHBondContact O-N 2.95Å; S257-R260 PolarHBondContact O-N 2.74Å; S257-N261 PolarHBondContact O-N 3.47Å; S257-S284 PolarHBondContact OG-OG 2.98Å
258	L	80	Confident	70.7	Confident	33 Å²	33	76.3 Å²	76.3	17%	0.173	39%	0.391	C	S	.	.	H	α-helix	trans	-64	-42.4	176.2	-69.2	178.1	0	0	0	111.7	Y254 F255 N261 N262	Y254-L258 HydrophobicContact CD1-CD1 4.26Å; Y254-L258 HydrophobicContact CE1-CD1 3.59Å; Y254-L258 HydrophobicContact CE1-CG 4.44Å; Y254-L258 HydrophobicContact CE2-CD1 4.26Å; Y254-L258 HydrophobicContact CE2-CG 4.36Å; Y254-L258 PolarHBondContact O-N 3.43Å; F255-L258 HydrophobicContact CD1-CD1 4.28Å; F255-L258 WeakPolarHBondContact O-CB 3.48Å; F255-L258 PolarHBondContact O-N 2.72Å; L258-N261 PolarHBondContact O-N 3.12Å; L258-N262 PolarHBondContact O-N 3.28Å
259	L	76.5	Confident	67.7	Low	62 Å²	62	85.6 Å²	85.6	33%	0.325	43%	0.434	S	S	.	.	H	α-helix	trans	-64.5	-40.7	177.7	-70.4	171.8	0	0	0	111.9	F255 N263	F255-L259 PolarHBondContact O-N 3.48Å; L259-N263 PolarHBondContact O-N 3.48Å
260	R	76.6	Confident	64.6	Low	181 Å²	181	83.1 Å²	83.1	68%	0.683	44%	0.435	S	S	*	.	H	α-helix	trans	-66.2	-41.8	177.1	-71.5	178.9	-161.8	172.7	5.3	112.9	N256 S257 N262 N263 H264	N256-R260 WeakPolarHBondContact O-CG 3.37Å; N256-R260 PolarHBondContact O-N 3.23Å; N256-R260 VanDerWaalsContact O-N 3.15Å; S257-R260 PolarHBondContact O-N 2.74Å; R260-N262 VanDerWaalsContact C-N 3.3Å; R260-N262 PolarHBondContact O-N 3.17Å; R260-N263 PolarHBondContact O-N 3.44Å; R260-H264 PolarHBondContact O-N 2.88Å
261	N	66.9	Low	61.5	Low	70 Å²	70	85.4 Å²	85.4	37%	0.374	45%	0.45	S	S	.	.	H	α-helix	trans	-64	-34.7	-179.1	-74.1	-9	0	0	0	112.2	S257 L258 H264 S265 G282	S257-N261 PolarHBondContact O-N 3.47Å; L258-N261 PolarHBondContact O-N 3.12Å; N261-H264 PolarHBondContact O-N 2.86Å; N261-S265 PolarHBondContact O-N 3.29Å; N261-G282 PolarHBondContact ND2-O 2.92Å
262	N	61.8	Low	58.3	Low	69 Å²	69	91.2 Å²	91.2	37%	0.369	48%	0.482	S	S	.	.	H	α-helix	trans	-67.7	-31.5	175.3	-83.5	6.7	0	0	0	113.5	L258 R260 H264 S265 N266 R539	L258-N262 PolarHBondContact O-N 3.28Å; R260-N262 VanDerWaalsContact C-N 3.3Å; R260-N262 PolarHBondContact O-N 3.17Å; N262-H264 VanDerWaalsContact C-N 3.33Å; N262-H264 PolarHBondContact O-N 2.81Å; N262-S265 WeakPolarHBondContact CA-OG 3.3Å; N262-S265 PolarHBondContact O-OG 3.29Å; N262-N266 PolarHBondContact O-N 3.11Å; N262-R539 PolarHBondContact ND2-NH1 3.24Å; N262-R539 VanDerWaalsContact ND2-NH1 3.18Å
263	N	49.9	Very low	55.2	Low	120 Å²	120	97.1 Å²	97.1	64%	0.642	51%	0.513	S	S	*	.	H	α-helix	trans	-71.3	-28	178.3	-75.1	-10.4	0	0	0	112.6	L259 R260	L259-N263 PolarHBondContact O-N 3.48Å; R260-N263 PolarHBondContact O-N 3.44Å
264	H	42.2	Very low	52.2	Low	146 Å²	146	97.3 Å²	97.3	68%	0.676	52%	0.522	S	S	*	.	H	α-helix	trans	-76.6	-34.4	174.9	-85.8	-20.5	0	0	0	113.3	R260 N261 N262 N266 S267	R260-H264 PolarHBondContact O-N 2.88Å; N261-H264 PolarHBondContact O-N 2.86Å; N262-H264 VanDerWaalsContact C-N 3.33Å; N262-H264 PolarHBondContact O-N 2.81Å; H264-N266 VanDerWaalsContact C-N 3.26Å; H264-N266 PolarHBondContact O-N 3.05Å; H264-S267 PolarHBondContact O-N 3.2Å; H264-S267 PolarHBondContact O-OG 3.18Å; H264-S267 VanDerWaalsContact O-OG 3.07Å
265	S	39.1	Very low	49.2	Very low	78 Å²	78	103.9 Å²	103.9	55%	0.545	56%	0.559	S	S	.	*	H	α-helix	trans	-67	-24	176.4	47.7	0	0	0	0	113.9	N261 N262	N261-S265 PolarHBondContact O-N 3.29Å; N262-S265 WeakPolarHBondContact CA-OG 3.3Å; N262-S265 PolarHBondContact O-OG 3.29Å
266	N	33.8	Very low	46.1	Very low	143 Å²	143	107.3 Å²	107.3	77%	0.765	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-6.8	176.9	-79.7	-3.6	0	0	0	114.6	N262 H264	N262-N266 PolarHBondContact O-N 3.11Å; H264-N266 VanDerWaalsContact C-N 3.26Å; H264-N266 PolarHBondContact O-N 3.05Å
267	S	32.3	Very low	43.1	Very low	76 Å²	76	110.8 Å²	110.8	53%	0.531	61%	0.614	S	S	.	*	S	Bend	trans	-93.8	-7.4	-178.9	69.5	0	0	0	0	115.2	H264	H264-S267 PolarHBondContact O-N 3.2Å; H264-S267 PolarHBondContact O-OG 3.18Å; H264-S267 VanDerWaalsContact O-OG 3.07Å
268	N	29	Very low	40.3	Very low	127 Å²	127	117.3 Å²	117.3	68%	0.679	65%	0.647	S	S	*	*			trans	-117	69	-179.6	-74.7	-16.3	0	0	0	111.4
269	H	29.1	Very low	37.8	Very low	198 Å²	198	121.7 Å²	121.7	92%	0.917	67%	0.671	S	S	*	*			trans	-105.7	60.5	161	-117.5	21.1	0	0	0	109.9
270	S	25.9	Very low	35.6	Very low	90 Å²	90	126.7 Å²	126.7	63%	0.629	70%	0.697	S	S	*	*			trans	-164.1	131.1	158.3	62.7	0	0	0	0	109.4
271	N	26.3	Very low	33.4	Very low	146 Å²	146	125.1 Å²	125.1	78%	0.781	70%	0.703	S	S	*	*			trans	98	95.1	169.9	-58.8	-21.4	0	0	0	118.4
272	N	24.9	Very low	31.8	Very low	138 Å²	138	124.3 Å²	124.3	74%	0.738	71%	0.711	S	S	*	*				49.3	130.1	117.5	-72.4	-10.3	0	0	0	121.9
273	N	25.6	Very low	31.1	Very low	140 Å²	140	124.1 Å²	124.1	75%	0.749	72%	0.715	S	S	*	*			trans	75	112.1	139.2	-72.1	-8.3	0	0	0	120.5
274	S	27.1	Very low	31.1	Very low	104 Å²	104	121.5 Å²	121.5	73%	0.727	71%	0.706	S	S	*	*				73.2	135.6	125.7	-47.8	0	0	0	0	120.1
275	N	25.7	Very low	32.1	Very low	163 Å²	163	119 Å²	119	87%	0.872	71%	0.706	S	S	*	*			trans	88.4	102.1	169.4	-66.1	-12	0	0	0	117	N277	N275-N277 PolarHBondContact O-N 3.05Å
276	G	24.4	Very low	33.9	Very low	77 Å²	77	118 Å²	118	79%	0.794	69%	0.691	S	S	*	*			trans	-59.2	119.3	168.3	0	0	0	0	0	111.7
277	N	24.1	Very low	36.6	Very low	141 Å²	141	115.8 Å²	115.8	75%	0.754	68%	0.676	S	S	*	*			trans	-136.9	106.8	144	-98.8	-23.5	0	0	0	105.3	N275 N279	N275-N277 PolarHBondContact O-N 3.05Å; N277-N279 PolarHBondContact O-N 2.91Å
278	N	26.1	Very low	39.6	Very low	162 Å²	162	113.8 Å²	113.8	87%	0.866	66%	0.657	S	S	*	*			trans	-65.6	69	168	-83.8	-18.4	0	0	0	109	N280	N278-N280 PolarHBondContact O-N 2.99Å
279	N	26.3	Very low	42.9	Very low	125 Å²	125	110.5 Å²	110.5	67%	0.668	64%	0.636	S	S	*	*			trans	-79.7	105.1	161.4	-81	-12.2	0	0	0	106.1	N277 N281	N277-N279 PolarHBondContact O-N 2.91Å; N279-N281 PolarHBondContact O-N 2.04Å
280	N	31.3	Very low	46.1	Very low	166 Å²	166	101 Å²	101	89%	0.888	59%	0.592	S	S	*	*			trans	-48.8	91.9	165.7	-77.1	-37.4	0	0	0	108.9	N278 G282	N278-N280 PolarHBondContact O-N 2.99Å; N280-G282 PolarHBondContact O-N 2.88Å
281	N	29.6	Very low	49.5	Very low	148 Å²	148	97.5 Å²	97.5	79%	0.791	57%	0.566	S	S	*	*			trans	-65	102.6	179.4	-83.5	-21.3	0	0	0	109.3	N279 S283	N279-N281 PolarHBondContact O-N 2.04Å; N281-S283 PolarHBondContact O-N 2.86Å
282	G	33.7	Very low	52.8	Low	54 Å²	54	90.6 Å²	90.6	56%	0.557	53%	0.529	S	S	*	.			trans	67.7	18	137.9	0	0	0	0	0	119.3	N261 N280 S284	N261-G282 PolarHBondContact ND2-O 2.92Å; N280-G282 PolarHBondContact O-N 2.88Å; G282-S284 PolarHBondContact O-N 2.8Å; G282-S284 VanDerWaalsContact O-N 3.08Å
283	S	45.9	Very low	56.2	Low	65 Å²	65	84.3 Å²	84.3	46%	0.455	50%	0.495	S	S	.	.			trans	-66.9	106.2	161.2	171.5	0	0	0	0	107.1	N281 S285	N281-S283 PolarHBondContact O-N 2.86Å; S283-S285 PolarHBondContact O-N 2.95Å
284	S	50	Low	59.5	Low	64 Å²	64	77.6 Å²	77.6	45%	0.448	46%	0.459	S	S	.	.			trans	-61.5	86.8	170.1	65.4	0	0	0	0	108.4	S257 G282 F286	S257-S284 PolarHBondContact OG-OG 2.98Å; G282-S284 PolarHBondContact O-N 2.8Å; G282-S284 VanDerWaalsContact O-N 3.08Å; S284-F286 PolarHBondContact O-N 2.9Å
285	S	63	Low	62.8	Low	95 Å²	95	72.7 Å²	72.7	66%	0.664	43%	0.425	S	S	*	.			trans	-70.5	106.1	173.7	66.9	0	0	0	0	106.3	S283	S283-S285 PolarHBondContact O-N 2.95Å
286	F	78.3	Confident	66	Low	55 Å²	55	65 Å²	65	24%	0.241	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-68.6	144.6	167.2	61.4	-96	0	0	0	108.9	I170 F171 P246 Y254 S284 R288	I170-F286 HydrophobicContact CB-CE1 4.43Å; I170-F286 HydrophobicContact CB-CZ 4.07Å; I170-F286 HydrophobicContact CD1-CD1 3.55Å; I170-F286 HydrophobicContact CD1-CD2 3.89Å; I170-F286 HydrophobicContact CD1-CE1 3.26Å; I170-F286 HydrophobicContact CD1-CE2 3.61Å; I170-F286 HydrophobicContact CD1-CG 3.86Å; I170-F286 HydrophobicContact CD1-CZ 3.29Å; I170-F286 HydrophobicContact CG1-CD1 4.5Å; I170-F286 HydrophobicContact CG1-CD2 4.36Å; I170-F286 HydrophobicContact CG1-CE1 3.82Å; I170-F286 HydrophobicContact CG1-CE2 3.63Å; I170-F286 HydrophobicContact CG1-CZ 3.32Å; I170-F286 HydrophobicContact CG2-CE1 3.85Å; I170-F286 HydrophobicContact CG2-CZ 3.61Å; F171-F286 HydrophobicContact CD1-CZ 4.31Å; F171-F286 HydrophobicContact CE1-CE1 4.33Å; F171-F286 HydrophobicContact CE1-CE2 4.47Å; F171-F286 AromaticContact CE1-CZ 3.58Å; F171-F286 HydrophobicContact CE1-CZ 3.58Å; F171-F286 HydrophobicContact CZ-CE1 4.37Å; F171-F286 HydrophobicContact CZ-CZ 4.05Å; P246-F286 HydrophobicContact CG-CD2 3.95Å; P246-F286 HydrophobicContact CG-CE2 3.35Å; P246-F286 HydrophobicContact CG-CZ 3.78Å; Y254-F286 HydrophobicContact CD1-CE1 4.1Å; Y254-F286 AromaticContact CD2-CD1 3.74Å; Y254-F286 HydrophobicContact CD2-CD1 3.74Å; Y254-F286 AromaticContact CD2-CE1 3.7Å; Y254-F286 HydrophobicContact CD2-CE1 3.7Å; Y254-F286 HydrophobicContact CE1-CE1 4.47Å; Y254-F286 HydrophobicContact CE2-CD1 4.35Å; Y254-F286 HydrophobicContact CE2-CE1 4.12Å; Y254-F286 HydrophobicContact CG-CD1 4.01Å; Y254-F286 AromaticContact CG-CE1 3.68Å; Y254-F286 HydrophobicContact CG-CE1 3.68Å; S284-F286 PolarHBondContact O-N 2.9Å; F286-R288 PolarHBondContact O-N 2.74Å
287	E	90.6	Very high	69.1	Low	97 Å²	97	61.6 Å²	61.6	45%	0.453	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-61.6	128	175.9	-72.5	-177.6	150.3	0	0	109.1	Y289 P311 K316	E287-Y289 HydrophobicContact CB-CE2 3.92Å; E287-Y289 VanDerWaalsContact O-CD2 3.27Å; E287-Y289 WeakPolarHBondContact O-CD2 3.34Å; E287-Y289 WeakPolarHBondContact O-CE2 3.37Å; E287-Y289 PolarHBondContact OE2-OH 2.78Å; E287-P311 HydrophobicContact CB-CB 3.88Å; E287-P311 HydrophobicContact CB-CG 3.81Å; E287-P311 HydrophobicContact CG-CB 4.02Å; E287-P311 HydrophobicContact CG-CG 3.71Å; E287-P311 VanDerWaalsContact OE1-CG 3.27Å; E287-P311 WeakPolarHBondContact OE1-CG 3.15Å; E287-P311 WeakPolarHBondContact OE2-CG 3.43Å; E287-K316 IonicContact OE1-NZ 2.75Å
288	R	95	Very high	72.1	Confident	34 Å²	34	58 Å²	58	13%	0.128	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-82.1	138.8	176.4	-66.2	172.1	75	-149.7	0.1	109.6	I170 D172 E173 E178 L243 F286 P311 L312	I170-R288 HydrophobicContact CD1-CG 4.46Å; I170-R288 HydrophobicContact CG1-CG 3.81Å; I170-R288 PolarHBondContact O-NE 2.86Å; D172-R288 PolarHBondContact O-NH2 2.87Å; E173-R288 PolarHBondContact O-NH2 3.4Å; E173-R288 VanDerWaalsContact O-NH2 3.09Å; E178-R288 IonicContact OE1-CZ 4Å; E178-R288 IonicContact OE1-NH1 3.51Å; E178-R288 PolarHBondContact OE1-NH1 3.36Å; E178-R288 IonicContact OE2-CZ 3.8Å; E178-R288 IonicContact OE2-NH1 3.86Å; E178-R288 PolarHBondContact OE2-NH1 2.83Å; E178-R288 IonicContact OE2-NH2 2.6Å; L243-R288 HydrophobicContact CD1-CB 4.08Å; L243-R288 HydrophobicContact CD1-CG 4.4Å; F286-R288 PolarHBondContact O-N 2.74Å; R288-P311 CarbonylContact O-C 3.54Å; R288-P311 VanDerWaalsContact O-CA 3.31Å; R288-P311 WeakPolarHBondContact O-CA 3.38Å; R288-L312 HydrophobicContact CB-CD1 4.02Å; R288-L312 HydrophobicContact CB-CG 4.45Å; R288-L312 PolarHBondContact O-N 2.89Å
289	Y	97.2	Very high	75	Confident	58 Å²	58	54.3 Å²	54.3	23%	0.227	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	155.3	175.4	-66.1	-98.2	0	0	0	109.6	L243 Y244 E287 L308 I309 L317	L243-Y289 WeakPolarHBondContact CD1-O 3.42Å; Y244-Y289 WeakPolarHBondContact CB-O 3.42Å; Y244-Y289 PolarHBondContact N-O 2.79Å; E287-Y289 HydrophobicContact CB-CE2 3.92Å; E287-Y289 VanDerWaalsContact O-CD2 3.27Å; E287-Y289 WeakPolarHBondContact O-CD2 3.34Å; E287-Y289 WeakPolarHBondContact O-CE2 3.37Å; E287-Y289 PolarHBondContact OE2-OH 2.78Å; Y289-L308 HydrophobicContact CD1-CD2 4.46Å; Y289-L308 HydrophobicContact CD1-CG 4.28Å; Y289-L308 HydrophobicContact CG-CD1 4.43Å; Y289-I309 CarbonylContact C-O 3.54Å; Y289-I309 WeakPolarHBondContact CA-O 3.44Å; Y289-L317 HydrophobicContact CE1-CD2 3.97Å
290	G	96.6	Very high	77.9	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	152.6	173.1	0	0	0	0	0	112	N242 L308 I309	N242-G290 CarbonylContact O-C 3.59Å; N242-G290 WeakPolarHBondContact O-CA 3.29Å; G290-L308 CarbonylContact O-C 3.58Å; G290-L308 WeakPolarHBondContact O-CA 3.12Å; G290-I309 PolarHBondContact N-O 2.97Å; G290-I309 PolarHBondContact O-N 3.16Å
291	I	96.9	Very high	80.8	Confident	16 Å²	16	56.1 Å²	56.1	8%	0.082	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	113.1	166.2	-57.1	178.8	0	0	0	107.1	L241 N242 Y244 E306 Y307	L241-I291 WeakPolarHBondContact CA-O 3.39Å; N242-I291 PolarHBondContact N-O 3.36Å; N242-I291 PolarHBondContact O-N 2.93Å; Y244-I291 HydrophobicContact CD2-CD1 4.11Å; Y244-I291 HydrophobicContact CD2-CG1 4.15Å; I291-E306 HydrophobicContact CG2-CG 3.59Å; I291-E306 VanDerWaalsContact CG2-OE1 3.27Å; I291-E306 WeakPolarHBondContact CG2-OE1 3.48Å; I291-Y307 CarbonylContact C-O 3.56Å; I291-Y307 WeakPolarHBondContact CA-O 3.48Å
292	A	96.8	Very high	83.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.4	176.8	0	0	0	0	0	110.4	L238 S240 L241 E306 Y307 I309	L238-A292 HydrophobicContact CD1-CB 4.05Å; S240-A292 WeakPolarHBondContact O-CA 3.25Å; L241-A292 HydrophobicContact CD1-CB 4.07Å; A292-E306 WeakPolarHBondContact O-CA 3.38Å; A292-Y307 PolarHBondContact N-O 2.76Å; A292-Y307 PolarHBondContact O-N 2.83Å; A292-I309 HydrophobicContact CB-CD1 3.45Å; A292-I309 VanDerWaalsContact CB-CD1 3.45Å; A292-I309 HydrophobicContact CB-CG1 4.19Å
293	I	96.3	Very high	86.9	Confident	6 Å²	6	52 Å²	52	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	117.6	174.4	-60.7	-179.6	0	0	0	108.1	W239 S240 I304 E306 I897 F898	W239-I293 HydrophobicContact CB-CG2 4.36Å; W239-I293 HydrophobicContact CE3-CB 4.07Å; W239-I293 HydrophobicContact CE3-CD1 4.08Å; W239-I293 HydrophobicContact CE3-CG2 4.08Å; W239-I293 HydrophobicContact CZ3-CD1 4.05Å; W239-I293 PolarHBondContact N-O 2.92Å; S240-I293 PolarHBondContact N-O 3.44Å; S240-I293 PolarHBondContact O-N 2.84Å; S240-I293 WeakPolarHBondContact OG-CB 3.24Å; S240-I293 WeakPolarHBondContact OG-CG1 3.41Å; I293-I304 HydrophobicContact CG2-CG2 3.75Å; I293-E306 HydrophobicContact CG1-CG 4.28Å; I293-I897 HydrophobicContact CD1-CD1 3.55Å; I293-F898 HydrophobicContact CD1-CE2 4.24Å; I293-F898 HydrophobicContact CD1-CZ 4.01Å; I293-F898 HydrophobicContact CG2-CZ 3.91Å
294	I	95.5	Very high	89.3	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	126.3	-178	-54.6	172.8	0	0	0	109.2	L186 F190 I193 Y237 L238 F296 K305 Y307	L186-I294 HydrophobicContact CD1-CD1 4.1Å; L186-I294 HydrophobicContact CD2-CD1 3.73Å; F190-I294 HydrophobicContact CD2-CD1 4.41Å; F190-I294 HydrophobicContact CE2-CD1 4.02Å; I193-I294 HydrophobicContact CD1-CD1 4.28Å; Y237-I294 CarbonylContact O-C 3.36Å; Y237-I294 WeakPolarHBondContact O-CA 3.37Å; L238-I294 HydrophobicContact CD1-CG1 3.89Å; I294-F296 HydrophobicContact CB-CD2 4.22Å; I294-F296 HydrophobicContact CB-CE2 3.59Å; I294-F296 HydrophobicContact CB-CZ 4.14Å; I294-F296 HydrophobicContact CD1-CZ 4.37Å; I294-F296 HydrophobicContact CG2-CD2 3.89Å; I294-F296 HydrophobicContact CG2-CE1 4.28Å; I294-F296 HydrophobicContact CG2-CE2 3.43Å; I294-F296 VanDerWaalsContact CG2-CE2 3.43Å; I294-F296 HydrophobicContact CG2-CG 4.47Å; I294-F296 HydrophobicContact CG2-CZ 3.67Å; I294-K305 PolarHBondContact N-O 2.92Å; I294-K305 PolarHBondContact O-N 2.84Å; I294-Y307 HydrophobicContact CD1-CD2 4.05Å; I294-Y307 HydrophobicContact CD1-CE2 4.31Å
295	L	94.7	Very high	91.6	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	106.7	173.3	-46	-180	0	0	0	107.8	N236 Y237 W239 G297 I304 Y326 R329 T332	N236-L295 CarbonylContact C-O 3.52Å; N236-L295 VanDerWaalsContact CA-O 3.29Å; N236-L295 WeakPolarHBondContact CA-O 3Å; Y237-L295 HydrophobicContact CD1-CD1 3.81Å; Y237-L295 HydrophobicContact CD1-CG 4.24Å; Y237-L295 HydrophobicContact CE1-CD1 4.46Å; Y237-L295 PolarHBondContact N-O 3.19Å; Y237-L295 PolarHBondContact O-N 3.19Å; W239-L295 HydrophobicContact CB-CD1 4.14Å; W239-L295 HydrophobicContact CB-CD2 4.24Å; W239-L295 HydrophobicContact CB-CG 3.95Å; W239-L295 HydrophobicContact CG-CD1 4.48Å; L295-G297 PolarHBondContact O-N 2.86Å; L295-I304 HydrophobicContact CD2-CB 4.41Å; L295-I304 HydrophobicContact CD2-CD1 4.19Å; L295-I304 HydrophobicContact CD2-CG1 3.84Å; L295-I304 HydrophobicContact CD2-CG2 3.99Å; L295-Y326 HydrophobicContact CB-CE2 3.71Å; L295-R329 HydrophobicContact CD1-CB 4.37Å; L295-R329 HydrophobicContact CD2-CB 3.99Å; L295-T332 HydrophobicContact CD1-CG2 3.63Å
296	F	94.2	Very high	93.2	Very high	1 Å²	1	44.1 Å²	44.1	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	79.4	176.3	-71	-92.1	0	0	0	110.3	F190 N236 I294 S298 Y299 P302 K303 K305 Y307	F190-F296 AromaticContact CD1-CE1 3.74Å; F190-F296 HydrophobicContact CD1-CE1 3.74Å; F190-F296 AromaticContact CD1-CZ 3.91Å; F190-F296 HydrophobicContact CD1-CZ 3.91Å; F190-F296 AromaticContact CE1-CE1 4Å; F190-F296 HydrophobicContact CE1-CE1 4Å; F190-F296 AromaticContact CE1-CZ 3.74Å; F190-F296 HydrophobicContact CE1-CZ 3.74Å; F190-F296 HydrophobicContact CE2-CZ 4.38Å; F190-F296 HydrophobicContact CG-CE1 4.19Å; F190-F296 HydrophobicContact CG-CZ 4.3Å; F190-F296 AromaticContact CZ-CZ 3.98Å; F190-F296 HydrophobicContact CZ-CZ 3.98Å; N236-F296 HydrophobicContact CB-CD1 4.31Å; N236-F296 WeakPolarHBondContact OD1-CA 3.46Å; N236-F296 WeakPolarHBondContact OD1-CD1 3.21Å; I294-F296 HydrophobicContact CB-CD2 4.22Å; I294-F296 HydrophobicContact CB-CE2 3.59Å; I294-F296 HydrophobicContact CB-CZ 4.14Å; I294-F296 HydrophobicContact CD1-CZ 4.37Å; I294-F296 HydrophobicContact CG2-CD2 3.89Å; I294-F296 HydrophobicContact CG2-CE1 4.28Å; I294-F296 HydrophobicContact CG2-CE2 3.43Å; I294-F296 VanDerWaalsContact CG2-CE2 3.43Å; I294-F296 HydrophobicContact CG2-CG 4.47Å; I294-F296 HydrophobicContact CG2-CZ 3.67Å; F296-S298 VanDerWaalsContact C-N 3.26Å; F296-S298 PolarHBondContact O-N 2.53Å; F296-Y299 HydrophobicContact CB-CD1 4.09Å; F296-Y299 HydrophobicContact CB-CD2 3.92Å; F296-Y299 HydrophobicContact CB-CE1 4.11Å; F296-Y299 HydrophobicContact CB-CE2 3.95Å; F296-Y299 HydrophobicContact CB-CG 4.01Å; F296-Y299 HydrophobicContact CD1-CD1 4.17Å; F296-Y299 AromaticContact CD1-CE1 3.41Å; F296-Y299 HydrophobicContact CD1-CE1 3.41Å; F296-Y299 VanDerWaalsContact CD1-CE1 3.41Å; F296-Y299 HydrophobicContact CD1-CE2 4.09Å; F296-Y299 AromaticContact CD1-CZ 3.36Å; F296-Y299 WeakPolarHBondContact CD1-OH 3.31Å; F296-Y299 HydrophobicContact CE1-CE1 4.19Å; F296-Y299 AromaticContact CE1-CZ 3.97Å; F296-Y299 WeakPolarHBondContact CE1-OH 3.24Å; F296-Y299 HydrophobicContact CG-CD2 4.48Å; F296-Y299 HydrophobicContact CG-CE1 4.05Å; F296-Y299 HydrophobicContact CG-CE2 4Å; F296-Y299 AromaticContact CG-CZ 3.76Å; F296-P302 VanDerWaalsContact O-CA 3.27Å; F296-P302 WeakPolarHBondContact O-CA 3.39Å; F296-K303 WeakPolarHBondContact CA-O 3.1Å; F296-K303 WeakPolarHBondContact CB-O 3.46Å; F296-K303 PolarHBondContact N-O 2.86Å; F296-K303 PolarHBondContact O-N 3.31Å; F296-K305 HydrophobicContact CD2-CB 4.06Å; F296-K305 HydrophobicContact CD2-CD 3.88Å; F296-K305 HydrophobicContact CD2-CG 3.83Å; F296-K305 HydrophobicContact CE2-CB 3.81Å; F296-K305 HydrophobicContact CE2-CD 3.73Å; F296-K305 HydrophobicContact CE2-CG 3.95Å; F296-K305 HydrophobicContact CZ-CD 4.43Å; F296-Y307 AromaticContact CE2-CE2 3.87Å; F296-Y307 HydrophobicContact CE2-CE2 3.87Å; F296-Y307 HydrophobicContact CZ-CE2 4.12Å
297	G	89.6	Confident	94.2	Very high	5 Å²	5	42.3 Å²	42.3	5%	0.052	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-23.6	174.5	0	0	0	0	0	113.4	K234 M235 L295 Y299	K234-G297 CarbonylContact O-C 2.98Å; M235-G297 WeakPolarHBondContact O-CA 3.46Å; M235-G297 PolarHBondContact O-N 2.64Å; L295-G297 PolarHBondContact O-N 2.86Å; G297-Y299 VanDerWaalsContact C-N 3.26Å; G297-Y299 PolarHBondContact O-N 2.91Å
298	S	85.9	Confident	94.5	Very high	67 Å²	67	38.9 Å²	38.9	47%	0.469	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-9.2	-170.8	67.4	0	0	0	0	114	K234 N236 F296	K234-S298 WeakPolarHBondContact O-CA 3.41Å; K234-S298 VanDerWaalsContact O-CB 3.26Å; K234-S298 WeakPolarHBondContact O-CB 3.25Å; K234-S298 PolarHBondContact O-N 2.96Å; N236-S298 VanDerWaalsContact CG-OG 3.27Å; N236-S298 PolarHBondContact ND2-OG 3.44Å; N236-S298 PolarHBondContact OD1-OG 3.11Å; F296-S298 VanDerWaalsContact C-N 3.26Å; F296-S298 PolarHBondContact O-N 2.53Å
299	Y	87.9	Confident	94.7	Very high	83 Å²	83	37.2 Å²	37.2	33%	0.325	18%	0.179	S	C	.	.	S	Bend	trans	-75.5	150.3	-179.5	-74	8.3	0	0	0	110.7	F296 G297 I301 P302 K305	F296-Y299 HydrophobicContact CB-CD1 4.09Å; F296-Y299 HydrophobicContact CB-CD2 3.92Å; F296-Y299 HydrophobicContact CB-CE1 4.11Å; F296-Y299 HydrophobicContact CB-CE2 3.95Å; F296-Y299 HydrophobicContact CB-CG 4.01Å; F296-Y299 HydrophobicContact CD1-CD1 4.17Å; F296-Y299 AromaticContact CD1-CE1 3.41Å; F296-Y299 HydrophobicContact CD1-CE1 3.41Å; F296-Y299 VanDerWaalsContact CD1-CE1 3.41Å; F296-Y299 HydrophobicContact CD1-CE2 4.09Å; F296-Y299 AromaticContact CD1-CZ 3.36Å; F296-Y299 WeakPolarHBondContact CD1-OH 3.31Å; F296-Y299 HydrophobicContact CE1-CE1 4.19Å; F296-Y299 AromaticContact CE1-CZ 3.97Å; F296-Y299 WeakPolarHBondContact CE1-OH 3.24Å; F296-Y299 HydrophobicContact CG-CD2 4.48Å; F296-Y299 HydrophobicContact CG-CE1 4.05Å; F296-Y299 HydrophobicContact CG-CE2 4Å; F296-Y299 AromaticContact CG-CZ 3.76Å; G297-Y299 VanDerWaalsContact C-N 3.26Å; G297-Y299 PolarHBondContact O-N 2.91Å; Y299-I301 VanDerWaalsContact CB-O 3.26Å; Y299-I301 WeakPolarHBondContact CB-O 3.36Å; Y299-I301 CarbonylContact O-C 3.57Å; Y299-I301 PolarHBondContact O-N 3.28Å; Y299-I301 VanDerWaalsContact O-N 3.12Å; Y299-P302 WeakPolarHBondContact O-CD 3.46Å; Y299-K305 PolarHBondContact OH-NZ 3.04Å
300	K	87.8	Confident	94.6	Very high	213 Å²	213	34.5 Å²	34.5	93%	0.926	17%	0.168	S	C	*	.	S	Bend	trans	-50.8	-38.4	172.3	-175.3	178.8	-179.2	-179.6	0	112.4
301	I	92	Very high	94.7	Very high	116 Å²	116	35 Å²	35	60%	0.595	17%	0.171	S	C	*	.	S	Bend	trans	-117.3	107.1	165.9	-58.2	173.9	0	0	0	105.9	Y299	Y299-I301 VanDerWaalsContact CB-O 3.26Å; Y299-I301 WeakPolarHBondContact CB-O 3.36Å; Y299-I301 CarbonylContact O-C 3.57Å; Y299-I301 PolarHBondContact O-N 3.28Å; Y299-I301 VanDerWaalsContact O-N 3.12Å
302	P	94.2	Very high	94.7	Very high	34 Å²	34	34.2 Å²	34.2	22%	0.221	17%	0.167	C	C	.	.			trans	-56.2	142.8	177.3	-29.2	37.3	0	0	0	112	F296 Y299 Y326 L456	F296-P302 VanDerWaalsContact O-CA 3.27Å; F296-P302 WeakPolarHBondContact O-CA 3.39Å; Y299-P302 WeakPolarHBondContact O-CD 3.46Å; P302-Y326 HydrophobicContact CB-CD1 3.73Å; P302-Y326 HydrophobicContact CB-CD2 3.67Å; P302-Y326 HydrophobicContact CB-CE1 4.29Å; P302-Y326 HydrophobicContact CB-CE2 4.19Å; P302-Y326 HydrophobicContact CB-CG 3.41Å; P302-Y326 VanDerWaalsContact CB-CG 3.41Å; P302-Y326 WeakPolarHBondContact O-CB 3.47Å; P302-L456 HydrophobicContact CB-CD1 4.15Å; P302-L456 HydrophobicContact CG-CD1 3.71Å
303	K	95.9	Very high	94.6	Very high	82 Å²	82	41.4 Å²	41.4	36%	0.357	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	153.9	-179.3	-65.6	-175.4	-177.6	-172	0	111.5	F296 I323	F296-K303 WeakPolarHBondContact CA-O 3.1Å; F296-K303 WeakPolarHBondContact CB-O 3.46Å; F296-K303 PolarHBondContact N-O 2.86Å; F296-K303 PolarHBondContact O-N 3.31Å; K303-I323 HydrophobicContact CB-CG2 4.23Å; K303-I323 HydrophobicContact CD-CG2 3.83Å; K303-I323 HydrophobicContact CG-CG2 4.42Å
304	I	97.2	Very high	94.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	135.3	167.6	-52.1	174.3	0	0	0	106.8	I293 L295 I323 Y324 Y326 K328 R329 F898	I293-I304 HydrophobicContact CG2-CG2 3.75Å; L295-I304 HydrophobicContact CD2-CB 4.41Å; L295-I304 HydrophobicContact CD2-CD1 4.19Å; L295-I304 HydrophobicContact CD2-CG1 3.84Å; L295-I304 HydrophobicContact CD2-CG2 3.99Å; I304-I323 CarbonylContact O-C 3.53Å; I304-I323 WeakPolarHBondContact O-CA 3.25Å; I304-Y324 HydrophobicContact CB-CD2 4.33Å; I304-Y324 HydrophobicContact CG2-CD2 4.13Å; I304-Y324 PolarHBondContact N-O 3.07Å; I304-Y324 PolarHBondContact O-N 2.9Å; I304-Y326 HydrophobicContact CG1-CD2 4.25Å; I304-K328 HydrophobicContact CD1-CB 4.37Å; I304-R329 HydrophobicContact CD1-CB 3.75Å; I304-R329 HydrophobicContact CG1-CB 4.43Å; I304-F898 HydrophobicContact CD1-CD1 4.31Å; I304-F898 HydrophobicContact CD1-CE1 3.82Å; I304-F898 HydrophobicContact CG2-CE1 4.04Å; I304-F898 HydrophobicContact CG2-CZ 3.81Å
305	K	97.6	Very high	94.7	Very high	30 Å²	30	49.2 Å²	49.2	13%	0.13	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136.5	173.1	-59.4	-174.4	179.3	171	0	110.4	I294 F296 Y299 Y307 L320 N322 I323	I294-K305 PolarHBondContact N-O 2.92Å; I294-K305 PolarHBondContact O-N 2.84Å; F296-K305 HydrophobicContact CD2-CB 4.06Å; F296-K305 HydrophobicContact CD2-CD 3.88Å; F296-K305 HydrophobicContact CD2-CG 3.83Å; F296-K305 HydrophobicContact CE2-CB 3.81Å; F296-K305 HydrophobicContact CE2-CD 3.73Å; F296-K305 HydrophobicContact CE2-CG 3.95Å; F296-K305 HydrophobicContact CZ-CD 4.43Å; Y299-K305 PolarHBondContact OH-NZ 3.04Å; K305-Y307 HydrophobicContact CB-CD2 4.13Å; K305-Y307 HydrophobicContact CB-CE2 3.46Å; K305-Y307 VanDerWaalsContact CB-CE2 3.46Å; K305-Y307 HydrophobicContact CD-CE2 4.02Å; K305-Y307 WeakPolarHBondContact CD-OH 3.46Å; K305-Y307 HydrophobicContact CG-CE2 4.42Å; K305-L320 HydrophobicContact CB-CD1 3.86Å; K305-L320 HydrophobicContact CD-CD1 4.09Å; K305-L320 HydrophobicContact CG-CD1 4.22Å; K305-N322 WeakPolarHBondContact CA-O 3.06Å; K305-I323 HydrophobicContact CG-CG1 4.31Å
306	E	97.6	Very high	94.7	Very high	28 Å²	28	55.6 Å²	55.6	13%	0.131	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	128	177.2	-176.2	176.2	-153.7	0	0	109.1	I291 A292 I293 L321 N322 Y324	I291-E306 HydrophobicContact CG2-CG 3.59Å; I291-E306 VanDerWaalsContact CG2-OE1 3.27Å; I291-E306 WeakPolarHBondContact CG2-OE1 3.48Å; A292-E306 WeakPolarHBondContact O-CA 3.38Å; I293-E306 HydrophobicContact CG1-CG 4.28Å; E306-L321 HydrophobicContact CG-CB 4.38Å; E306-L321 HydrophobicContact CG-CD1 4.38Å; E306-L321 PolarHBondContact O-N 3.48Å; E306-N322 HydrophobicContact CB-CB 4.18Å; E306-N322 PolarHBondContact N-O 3.49Å; E306-N322 PolarHBondContact O-N 3.19Å; E306-N322 PolarHBondContact OE2-ND2 3.5Å; E306-Y324 HydrophobicContact CB-CE2 4.38Å; E306-Y324 PolarHBondContact OE2-OH 2.7Å; E306-Y324 VanDerWaalsContact OE2-OH 3.05Å
307	Y	98.3	Very high	94.8	Very high	18 Å²	18	59.3 Å²	59.3	7%	0.071	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	136.7	-174.5	-71.6	-81.1	0	0	0	111.7	F190 I291 A292 I294 F296 K305 I318 K319 L320	F190-Y307 HydrophobicContact CZ-CE1 4.44Å; F190-Y307 HydrophobicContact CZ-CE2 4.05Å; F190-Y307 AromaticContact CZ-CZ 3.87Å; I291-Y307 CarbonylContact C-O 3.56Å; I291-Y307 WeakPolarHBondContact CA-O 3.48Å; A292-Y307 PolarHBondContact N-O 2.76Å; A292-Y307 PolarHBondContact O-N 2.83Å; I294-Y307 HydrophobicContact CD1-CD2 4.05Å; I294-Y307 HydrophobicContact CD1-CE2 4.31Å; F296-Y307 AromaticContact CE2-CE2 3.87Å; F296-Y307 HydrophobicContact CE2-CE2 3.87Å; F296-Y307 HydrophobicContact CZ-CE2 4.12Å; K305-Y307 HydrophobicContact CB-CD2 4.13Å; K305-Y307 HydrophobicContact CB-CE2 3.46Å; K305-Y307 VanDerWaalsContact CB-CE2 3.46Å; K305-Y307 HydrophobicContact CD-CE2 4.02Å; K305-Y307 WeakPolarHBondContact CD-OH 3.46Å; K305-Y307 HydrophobicContact CG-CE2 4.42Å; Y307-I318 HydrophobicContact CD1-CD1 3.83Å; Y307-I318 HydrophobicContact CD1-CG1 3.49Å; Y307-I318 VanDerWaalsContact CD1-CG1 3.49Å; Y307-I318 HydrophobicContact CE1-CD1 4.23Å; Y307-I318 HydrophobicContact CE1-CG1 4.12Å; Y307-I318 HydrophobicContact CG-CD1 3.99Å; Y307-I318 HydrophobicContact CG-CG1 3.96Å; Y307-K319 CarbonylContact C-O 3.38Å; Y307-K319 VanDerWaalsContact CA-O 3.3Å; Y307-K319 WeakPolarHBondContact CA-O 3.38Å; Y307-L320 HydrophobicContact CD1-CB 4.07Å; Y307-L320 HydrophobicContact CD1-CD1 4.14Å; Y307-L320 HydrophobicContact CE1-CB 3.74Å; Y307-L320 HydrophobicContact CE1-CD1 3.66Å; Y307-L320 HydrophobicContact CE1-CG 4.3Å; Y307-L320 HydrophobicContact CE2-CD1 4.31Å
308	L	97.9	Very high	95.2	Very high	24 Å²	24	61.2 Å²	61.2	13%	0.126	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	124.4	159.4	-173.2	72.9	0	0	0	108.5	Y244 Y289 G290 I318 K319 L321	Y244-L308 HydrophobicContact CD1-CD1 4.07Å; Y244-L308 HydrophobicContact CD2-CD1 3.69Å; Y244-L308 HydrophobicContact CE2-CD1 4.33Å; Y244-L308 HydrophobicContact CG-CD1 3.53Å; Y289-L308 HydrophobicContact CD1-CD2 4.46Å; Y289-L308 HydrophobicContact CD1-CG 4.28Å; Y289-L308 HydrophobicContact CG-CD1 4.43Å; G290-L308 CarbonylContact O-C 3.58Å; G290-L308 WeakPolarHBondContact O-CA 3.12Å; L308-I318 WeakPolarHBondContact O-CA 3.5Å; L308-K319 HydrophobicContact CB-CB 4.33Å; L308-K319 PolarHBondContact N-O 3.39Å; L308-K319 PolarHBondContact O-N 3.5Å; L308-L321 HydrophobicContact CB-CD1 4.06Å; L308-L321 HydrophobicContact CB-CD2 4.07Å; L308-L321 HydrophobicContact CB-CG 4.11Å
309	I	98.2	Very high	95.8	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	135.2	-179.3	-59	-178.4	0	0	0	109.4	V182 F185 L186 Y289 G290 A292 P315 L317 I318	V182-I309 HydrophobicContact CG1-CD1 4.07Å; V182-I309 HydrophobicContact CG1-CG2 4.31Å; V182-I309 HydrophobicContact CG2-CG2 4.1Å; F185-I309 HydrophobicContact CD1-CG2 3.94Å; F185-I309 HydrophobicContact CE1-CG2 4Å; L186-I309 HydrophobicContact CD1-CD1 4.14Å; L186-I309 HydrophobicContact CD2-CD1 3.59Å; L186-I309 HydrophobicContact CG-CD1 4Å; Y289-I309 CarbonylContact C-O 3.54Å; Y289-I309 WeakPolarHBondContact CA-O 3.44Å; G290-I309 PolarHBondContact N-O 2.97Å; G290-I309 PolarHBondContact O-N 3.16Å; A292-I309 HydrophobicContact CB-CD1 3.45Å; A292-I309 VanDerWaalsContact CB-CD1 3.45Å; A292-I309 HydrophobicContact CB-CG1 4.19Å; I309-P315 HydrophobicContact CG2-CB 3.96Å; I309-L317 WeakPolarHBondContact CA-O 3.46Å; I309-I318 HydrophobicContact CD1-CD1 4.18Å; I309-I318 HydrophobicContact CG1-CD1 4.24Å; I309-I318 HydrophobicContact CG1-CG1 4.11Å
310	G	96.4	Very high	96.3	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.4	-172	168.6	0	0	0	0	0	114.6	K316 L317	G310-K316 PolarHBondContact O-N 3.01Å; G310-K316 VanDerWaalsContact O-N 3.15Å; G310-L317 PolarHBondContact N-O 2.88Å; G310-L317 VanDerWaalsContact N-O 3.16Å; G310-L317 WeakPolarHBondContact O-CB 3.47Å; G310-L317 PolarHBondContact O-N 2.89Å
311	P	97	Very high	96.7	Very high	10 Å²	10	56.2 Å²	56.2	7%	0.065	27%	0.269	C	S	.	.			cis	-59.8	143.8	-7.2	-24	36.6	0	0	0	112.3	E287 R288 K313 Q314 P315	E287-P311 HydrophobicContact CB-CB 3.88Å; E287-P311 HydrophobicContact CB-CG 3.81Å; E287-P311 HydrophobicContact CG-CB 4.02Å; E287-P311 HydrophobicContact CG-CG 3.71Å; E287-P311 VanDerWaalsContact OE1-CG 3.27Å; E287-P311 WeakPolarHBondContact OE1-CG 3.15Å; E287-P311 WeakPolarHBondContact OE2-CG 3.43Å; R288-P311 CarbonylContact O-C 3.54Å; R288-P311 VanDerWaalsContact O-CA 3.31Å; R288-P311 WeakPolarHBondContact O-CA 3.38Å; P311-K313 VanDerWaalsContact C-N 3.26Å; P311-K313 PolarHBondContact O-N 2.67Å; P311-Q314 CarbonylContact O-C 3.59Å; P311-Q314 PolarHBondContact O-N 3.27Å; P311-P315 WeakPolarHBondContact O-CA 3.44Å; P311-P315 WeakPolarHBondContact O-CD 3.49Å
312	L	96.9	Very high	96.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-32.6	-173.6	-72.4	177.2	0	0	0	114.2	P174 E178 N181 V182 L243 R288 Q314	P174-L312 HydrophobicContact CB-CD1 4.14Å; P174-L312 HydrophobicContact CG-CD1 3.85Å; E178-L312 HydrophobicContact CB-CB 3.93Å; E178-L312 HydrophobicContact CG-CB 3.73Å; N181-L312 WeakPolarHBondContact CB-O 3.11Å; V182-L312 HydrophobicContact CG2-CD2 3.57Å; L243-L312 HydrophobicContact CD1-CD1 4.04Å; R288-L312 HydrophobicContact CB-CD1 4.02Å; R288-L312 HydrophobicContact CB-CG 4.45Å; R288-L312 PolarHBondContact O-N 2.89Å; L312-Q314 VanDerWaalsContact C-N 3.32Å; L312-Q314 PolarHBondContact O-N 2.87Å
313	K	95.5	Very high	97.1	Very high	151 Å²	151	56.6 Å²	56.6	66%	0.657	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-29	175.6	-70.3	-174.1	174.7	-175	0	113.6	N181 P311	N181-K313 PolarHBondContact ND2-O 3.43Å; P311-K313 VanDerWaalsContact C-N 3.26Å; P311-K313 PolarHBondContact O-N 2.67Å
314	Q	96.1	Very high	97.2	Very high	152 Å²	152	54 Å²	54	71%	0.71	26%	0.258	S	S	*	.	S	Bend	trans	-152.2	78.4	178.1	-167.4	177.4	26.5	0	0	109.3	P311 L312 K316	P311-Q314 CarbonylContact O-C 3.59Å; P311-Q314 PolarHBondContact O-N 3.27Å; L312-Q314 VanDerWaalsContact C-N 3.32Å; L312-Q314 PolarHBondContact O-N 2.87Å; Q314-K316 PolarHBondContact O-N 3.18Å
315	P	97.1	Very high	97.2	Very high	18 Å²	18	56.5 Å²	56.5	12%	0.117	27%	0.274	C	S	.	.			trans	-61.7	123.2	-174.2	-26	36.2	0	0	0	111	N181 V182 F185 I309 P311	N181-P315 HydrophobicContact CB-CG 4.07Å; V182-P315 HydrophobicContact CG2-CG 3.9Å; F185-P315 HydrophobicContact CB-CB 3.77Å; F185-P315 HydrophobicContact CB-CG 4.33Å; F185-P315 HydrophobicContact CD1-CB 3.71Å; F185-P315 HydrophobicContact CD2-CB 4.15Å; F185-P315 WeakPolarHBondContact CD2-O 3.46Å; F185-P315 HydrophobicContact CE1-CB 4.26Å; F185-P315 WeakPolarHBondContact CE2-O 3.14Å; F185-P315 HydrophobicContact CG-CB 3.62Å; I309-P315 HydrophobicContact CG2-CB 3.96Å; P311-P315 WeakPolarHBondContact O-CA 3.44Å; P311-P315 WeakPolarHBondContact O-CD 3.49Å
316	K	96.2	Very high	97.1	Very high	136 Å²	136	56 Å²	56	59%	0.591	27%	0.272	S	S	*	.			trans	-130.6	-26	179	64.6	-167.8	176	-164.5	0	111.9	E287 G310 Q314	E287-K316 IonicContact OE1-NZ 2.75Å; G310-K316 PolarHBondContact O-N 3.01Å; G310-K316 VanDerWaalsContact O-N 3.15Å; Q314-K316 PolarHBondContact O-N 3.18Å
317	L	96.5	Very high	96.9	Very high	79 Å²	79	56.6 Å²	56.6	41%	0.414	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	138.6	177.6	-175.7	74.3	0	0	0	110.5	Y289 I309 G310	Y289-L317 HydrophobicContact CE1-CD2 3.97Å; I309-L317 WeakPolarHBondContact CA-O 3.46Å; G310-L317 PolarHBondContact N-O 2.88Å; G310-L317 VanDerWaalsContact N-O 3.16Å; G310-L317 WeakPolarHBondContact O-CB 3.47Å; G310-L317 PolarHBondContact O-N 2.89Å
318	I	97.2	Very high	96.8	Very high	45 Å²	45	56.1 Å²	56.1	23%	0.231	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	123.7	163.3	-174.7	160.9	0	0	0	108.5	F185 L186 F190 Y307 L308 I309	F185-I318 HydrophobicContact CE1-CB 3.9Å; F185-I318 HydrophobicContact CE1-CG2 4.33Å; F185-I318 HydrophobicContact CZ-CB 4.16Å; F185-I318 HydrophobicContact CZ-CG2 4.18Å; L186-I318 HydrophobicContact CD2-CD1 4.02Å; F190-I318 HydrophobicContact CE2-CD1 3.66Å; F190-I318 HydrophobicContact CZ-CD1 3.82Å; Y307-I318 HydrophobicContact CD1-CD1 3.83Å; Y307-I318 HydrophobicContact CD1-CG1 3.49Å; Y307-I318 VanDerWaalsContact CD1-CG1 3.49Å; Y307-I318 HydrophobicContact CE1-CD1 4.23Å; Y307-I318 HydrophobicContact CE1-CG1 4.12Å; Y307-I318 HydrophobicContact CG-CD1 3.99Å; Y307-I318 HydrophobicContact CG-CG1 3.96Å; L308-I318 WeakPolarHBondContact O-CA 3.5Å; I309-I318 HydrophobicContact CD1-CD1 4.18Å; I309-I318 HydrophobicContact CG1-CD1 4.24Å; I309-I318 HydrophobicContact CG1-CG1 4.11Å
319	K	97.6	Very high	96.7	Very high	122 Å²	122	55.1 Å²	55.1	53%	0.53	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125.1	178.4	179.1	-175.6	176.8	-173.5	0	108.9	Y307 L308 L321	Y307-K319 CarbonylContact C-O 3.38Å; Y307-K319 VanDerWaalsContact CA-O 3.3Å; Y307-K319 WeakPolarHBondContact CA-O 3.38Å; L308-K319 HydrophobicContact CB-CB 4.33Å; L308-K319 PolarHBondContact N-O 3.39Å; L308-K319 PolarHBondContact O-N 3.5Å; K319-L321 HydrophobicContact CD-CD2 4.45Å; K319-L321 PolarHBondContact O-N 3.42Å
320	L	98.1	Very high	96.5	Very high	74 Å²	74	55.3 Å²	55.3	39%	0.387	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	127.1	172.2	-179.2	67.3	0	0	0	109.1	K305 Y307 N322 I323	K305-L320 HydrophobicContact CB-CD1 3.86Å; K305-L320 HydrophobicContact CD-CD1 4.09Å; K305-L320 HydrophobicContact CG-CD1 4.22Å; Y307-L320 HydrophobicContact CD1-CB 4.07Å; Y307-L320 HydrophobicContact CD1-CD1 4.14Å; Y307-L320 HydrophobicContact CE1-CB 3.74Å; Y307-L320 HydrophobicContact CE1-CD1 3.66Å; Y307-L320 HydrophobicContact CE1-CG 4.3Å; Y307-L320 HydrophobicContact CE2-CD1 4.31Å; L320-N322 WeakPolarHBondContact CD1-O 3.47Å; L320-I323 HydrophobicContact CD1-CG1 4.13Å; L320-I323 HydrophobicContact CD2-CD1 3.89Å; L320-I323 HydrophobicContact CD2-CG1 3.94Å; L320-I323 HydrophobicContact CG-CG1 4.43Å
321	L	96.5	Very high	96.2	Very high	62 Å²	62	56.8 Å²	56.8	33%	0.325	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-57.4	175.2	-60.8	-178.6	0	0	0	110.1	E306 L308 K319	E306-L321 HydrophobicContact CG-CB 4.38Å; E306-L321 HydrophobicContact CG-CD1 4.38Å; E306-L321 PolarHBondContact O-N 3.48Å; L308-L321 HydrophobicContact CB-CD1 4.06Å; L308-L321 HydrophobicContact CB-CD2 4.07Å; L308-L321 HydrophobicContact CB-CG 4.11Å; K319-L321 HydrophobicContact CD-CD2 4.45Å; K319-L321 PolarHBondContact O-N 3.42Å
322	N	97.2	Very high	95.8	Very high	71 Å²	71	56.7 Å²	56.7	38%	0.38	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	157.8	-173.2	-62.3	-62.3	0	0	0	112.5	K305 E306 L320 Y324	K305-N322 WeakPolarHBondContact CA-O 3.06Å; E306-N322 HydrophobicContact CB-CB 4.18Å; E306-N322 PolarHBondContact N-O 3.49Å; E306-N322 PolarHBondContact O-N 3.19Å; E306-N322 PolarHBondContact OE2-ND2 3.5Å; L320-N322 WeakPolarHBondContact CD1-O 3.47Å; N322-Y324 HydrophobicContact CB-CE1 3.97Å; N322-Y324 HydrophobicContact CB-CE2 3.79Å; N322-Y324 WeakPolarHBondContact CB-OH 3.34Å; N322-Y324 VanDerWaalsContact CG-OH 3.31Å; N322-Y324 PolarHBondContact ND2-OH 2.93Å
323	I	98.3	Very high	95.3	Very high	86 Å²	86	59.4 Å²	59.4	44%	0.441	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	130.2	172.5	-56.3	179.1	0	0	0	108.2	K303 I304 K305 L320	K303-I323 HydrophobicContact CB-CG2 4.23Å; K303-I323 HydrophobicContact CD-CG2 3.83Å; K303-I323 HydrophobicContact CG-CG2 4.42Å; I304-I323 CarbonylContact O-C 3.53Å; I304-I323 WeakPolarHBondContact O-CA 3.25Å; K305-I323 HydrophobicContact CG-CG1 4.31Å; L320-I323 HydrophobicContact CD1-CG1 4.13Å; L320-I323 HydrophobicContact CD2-CD1 3.89Å; L320-I323 HydrophobicContact CD2-CG1 3.94Å; L320-I323 HydrophobicContact CG-CG1 4.43Å
324	Y	97.5	Very high	94.8	Very high	29 Å²	29	53 Å²	53	11%	0.114	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	153.3	176.5	-45.1	-71.5	0	0	0	111.8	I304 E306 N322 F898 V907	I304-Y324 HydrophobicContact CB-CD2 4.33Å; I304-Y324 HydrophobicContact CG2-CD2 4.13Å; I304-Y324 PolarHBondContact N-O 3.07Å; I304-Y324 PolarHBondContact O-N 2.9Å; E306-Y324 HydrophobicContact CB-CE2 4.38Å; E306-Y324 PolarHBondContact OE2-OH 2.7Å; E306-Y324 VanDerWaalsContact OE2-OH 3.05Å; N322-Y324 HydrophobicContact CB-CE1 3.97Å; N322-Y324 HydrophobicContact CB-CE2 3.79Å; N322-Y324 WeakPolarHBondContact CB-OH 3.34Å; N322-Y324 VanDerWaalsContact CG-OH 3.31Å; N322-Y324 PolarHBondContact ND2-OH 2.93Å; Y324-F898 AromaticContact CD2-CD2 3.99Å; Y324-F898 HydrophobicContact CD2-CD2 3.99Å; Y324-F898 AromaticContact CD2-CE2 3.57Å; Y324-F898 HydrophobicContact CD2-CE2 3.57Å; Y324-F898 AromaticContact CD2-CZ 3.88Å; Y324-F898 HydrophobicContact CD2-CZ 3.88Å; Y324-F898 AromaticContact CE2-CD2 3.82Å; Y324-F898 HydrophobicContact CE2-CD2 3.82Å; Y324-F898 AromaticContact CE2-CE2 3.33Å; Y324-F898 HydrophobicContact CE2-CE2 3.33Å; Y324-F898 HydrophobicContact CE2-CZ 4.03Å; Y324-V907 HydrophobicContact CD1-CB 4.09Å; Y324-V907 HydrophobicContact CD1-CG1 3.59Å; Y324-V907 HydrophobicContact CE1-CB 3.71Å; Y324-V907 HydrophobicContact CE1-CG1 3.77Å; Y324-V907 HydrophobicContact CE1-CG2 4.26Å; Y324-V907 HydrophobicContact CG-CG1 4.36Å
325	P	96.4	Very high	94.5	Very high	52 Å²	52	45.8 Å²	45.8	34%	0.338	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	142.9	169.4	-23	33.3	0	0	0	111.9	Y327 K328	P325-Y327 HydrophobicContact CB-CD1 3.67Å; P325-Y327 HydrophobicContact CB-CD2 4.25Å; P325-Y327 HydrophobicContact CB-CE1 3.32Å; P325-Y327 HydrophobicContact CB-CE2 3.95Å; P325-Y327 HydrophobicContact CB-CG 4.14Å; P325-Y327 VanDerWaalsContact CB-CZ 3.47Å; P325-Y327 HydrophobicContact CG-CE1 3.99Å; P325-Y327 HydrophobicContact CG-CE2 4.36Å; P325-Y327 PolarHBondContact O-N 2.82Å; P325-K328 PolarHBondContact O-N 2.72Å; P325-K328 VanDerWaalsContact O-N 3.15Å
326	Y	95.5	Very high	94.3	Very high	20 Å²	20	47.4 Å²	47.4	8%	0.078	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-67.7	-21.1	-175.3	-157.1	-105.3	0	0	0	114.5	L233 L295 P302 I304 K328 R329 L456	L233-Y326 PolarHBondContact O-OH 2.8Å; L295-Y326 HydrophobicContact CB-CE2 3.71Å; P302-Y326 HydrophobicContact CB-CD1 3.73Å; P302-Y326 HydrophobicContact CB-CD2 3.67Å; P302-Y326 HydrophobicContact CB-CE1 4.29Å; P302-Y326 HydrophobicContact CB-CE2 4.19Å; P302-Y326 HydrophobicContact CB-CG 3.41Å; P302-Y326 VanDerWaalsContact CB-CG 3.41Å; P302-Y326 WeakPolarHBondContact O-CB 3.47Å; I304-Y326 HydrophobicContact CG1-CD2 4.25Å; Y326-K328 PolarHBondContact O-N 3.12Å; Y326-R329 WeakPolarHBondContact O-CG 3.04Å; Y326-R329 PolarHBondContact O-N 3.32Å; Y326-R329 PolarHBondContact O-NH1 2.98Å; Y326-L456 HydrophobicContact CD1-CD1 3.9Å; Y326-L456 HydrophobicContact CD1-CD2 3.79Å; Y326-L456 HydrophobicContact CD1-CG 4.37Å; Y326-L456 HydrophobicContact CE1-CD1 3.65Å; Y326-L456 HydrophobicContact CE1-CD2 3.49Å; Y326-L456 VanDerWaalsContact CE1-CD2 3.49Å; Y326-L456 HydrophobicContact CE1-CG 4.21Å
327	Y	94.7	Very high	94.1	Very high	40 Å²	40	45 Å²	45	16%	0.157	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-65.8	-21.5	175.6	59.1	-114.6	0	0	0	112.7	P325 R329 I419 E425 R427	P325-Y327 HydrophobicContact CB-CD1 3.67Å; P325-Y327 HydrophobicContact CB-CD2 4.25Å; P325-Y327 HydrophobicContact CB-CE1 3.32Å; P325-Y327 HydrophobicContact CB-CE2 3.95Å; P325-Y327 HydrophobicContact CB-CG 4.14Å; P325-Y327 VanDerWaalsContact CB-CZ 3.47Å; P325-Y327 HydrophobicContact CG-CE1 3.99Å; P325-Y327 HydrophobicContact CG-CE2 4.36Å; P325-Y327 PolarHBondContact O-N 2.82Å; Y327-R329 VanDerWaalsContact C-N 3.26Å; Y327-R329 PolarHBondContact O-N 3.35Å; Y327-I419 HydrophobicContact CD2-CD1 3.42Å; Y327-I419 VanDerWaalsContact CD2-CD1 3.42Å; Y327-I419 HydrophobicContact CE2-CD1 4.14Å; Y327-I419 HydrophobicContact CG-CD1 4.28Å; Y327-I419 WeakPolarHBondContact O-CD1 3.35Å; Y327-E425 HydrophobicContact CD1-CB 4Å; Y327-E425 HydrophobicContact CE1-CB 3.68Å; Y327-E425 HydrophobicContact CE1-CG 3.8Å; Y327-E425 HydrophobicContact CE2-CB 4.31Å; Y327-E425 HydrophobicContact CE2-CG 4.27Å; Y327-E425 HydrophobicContact CG-CB 4.43Å; Y327-E425 PolarHBondContact OH-OE1 2.66Å; Y327-R427 PolarHBondContact O-NH1 3.45Å
328	K	96	Very high	93.9	Very high	7 Å²	7	41.4 Å²	41.4	3%	0.03	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-80.4	1.3	178	-64.3	-171.7	175.8	-74.5	0	114	I304 P325 Y326 F898 V901 D902 S905 V907	I304-K328 HydrophobicContact CD1-CB 4.37Å; P325-K328 PolarHBondContact O-N 2.72Å; P325-K328 VanDerWaalsContact O-N 3.15Å; Y326-K328 PolarHBondContact O-N 3.12Å; K328-F898 WeakPolarHBondContact O-CD1 3.45Å; K328-V901 WeakPolarHBondContact O-CG1 3.35Å; K328-V901 WeakPolarHBondContact O-CG2 3.48Å; K328-D902 IonicContact NZ-OD2 3.54Å; K328-D902 PolarHBondContact NZ-OD2 2.85Å; K328-S905 PolarHBondContact NZ-O 3.14Å; K328-V907 HydrophobicContact CD-CG1 3.85Å
329	R	94.7	Very high	93.8	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.015	19%	0.192	C	C	.	.			trans	-63.3	143	-177.6	70.2	-174.3	-179.4	-85.4	1.7	110.9	L295 I304 Y326 Y327 E335 R427	L295-R329 HydrophobicContact CD1-CB 4.37Å; L295-R329 HydrophobicContact CD2-CB 3.99Å; I304-R329 HydrophobicContact CD1-CB 3.75Å; I304-R329 HydrophobicContact CG1-CB 4.43Å; Y326-R329 WeakPolarHBondContact O-CG 3.04Å; Y326-R329 PolarHBondContact O-N 3.32Å; Y326-R329 PolarHBondContact O-NH1 2.98Å; Y327-R329 VanDerWaalsContact C-N 3.26Å; Y327-R329 PolarHBondContact O-N 3.35Å; R329-E335 IonicContact CZ-OE1 3.41Å; R329-E335 IonicContact CZ-OE2 3.47Å; R329-E335 IonicContact NE-OE1 3.84Å; R329-E335 IonicContact NE-OE2 3.37Å; R329-E335 PolarHBondContact NE-OE2 2.86Å; R329-E335 VanDerWaalsContact NE-OE2 3.07Å; R329-E335 IonicContact NH2-OE1 2.7Å; R329-E335 PolarHBondContact NH2-OE1 3.3Å; R329-E335 IonicContact NH2-OE2 3.23Å; R329-R427 PolarHBondContact O-NH1 2.81Å; R329-R427 PolarHBondContact O-NH2 2.99Å
330	P	93.9	Very high	93.7	Very high	4 Å²	4	33.6 Å²	33.6	3%	0.026	17%	0.167	C	C	.	.			trans	-60	157	165.7	-24.8	37.1	0	0	0	111.1	W239 T332 V598 I897 V901	W239-P330 HydrophobicContact CD2-CG 4.29Å; W239-P330 HydrophobicContact CH2-CG 4.13Å; W239-P330 HydrophobicContact CZ2-CB 3.72Å; W239-P330 HydrophobicContact CZ2-CG 3.5Å; P330-T332 PolarHBondContact O-N 3.14Å; P330-V598 HydrophobicContact CB-CG2 4.16Å; P330-V598 HydrophobicContact CG-CG2 4.32Å; P330-I897 HydrophobicContact CG-CD1 4.35Å; P330-V901 HydrophobicContact CG-CG2 4.35Å
331	L	91.9	Very high	93.6	Very high	30 Å²	30	30.1 Å²	30.1	16%	0.157	15%	0.148	C	C	.	.			trans	-66.1	115.8	175.3	-175.1	65.9	0	0	0	108.8	E335 Y336 F414 M418	L331-E335 HydrophobicContact CD1-CB 3.95Å; L331-E335 HydrophobicContact CD1-CG 3.63Å; L331-Y336 HydrophobicContact CD2-CD2 3.92Å; L331-F414 HydrophobicContact CD2-CD1 3.97Å; L331-F414 HydrophobicContact CD2-CE1 3.71Å; L331-F414 HydrophobicContact CD2-CE2 4.35Å; L331-F414 HydrophobicContact CD2-CG 4.39Å; L331-F414 HydrophobicContact CD2-CZ 3.91Å; L331-M418 HydrophobicContact CB-CE 4.08Å; L331-M418 HydrophobicContact CB-SD 4.02Å
332	T	88.5	Confident	93.5	Very high	8 Å²	8	28 Å²	28	5%	0.049	14%	0.136	C	C	.	.			trans	-84	159.8	178.7	67.8	0	0	0	0	110.9	Y237 L295 P330 I334 E335 Y336	Y237-T332 HydrophobicContact CE1-CG2 4.19Å; L295-T332 HydrophobicContact CD1-CG2 3.63Å; P330-T332 PolarHBondContact O-N 3.14Å; T332-I334 PolarHBondContact O-N 3.07Å; T332-E335 PolarHBondContact O-N 2.73Å; T332-E335 VanDerWaalsContact OG1-CB 3.25Å; T332-E335 WeakPolarHBondContact OG1-CB 3.32Å; T332-E335 PolarHBondContact OG1-N 3.36Å; T332-Y336 WeakPolarHBondContact O-CB 3.36Å; T332-Y336 PolarHBondContact O-N 2.97Å
333	N	85.6	Confident	93.5	Very high	58 Å²	58	24.6 Å²	24.6	31%	0.31	12%	0.118	S	C	.	.	H	α-helix	trans	-65.6	-30.2	176	-63.3	-18.5	0	0	0	112.1	K337 E630	N333-K337 VanDerWaalsContact O-CG 3.29Å; N333-K337 WeakPolarHBondContact O-CG 3.33Å; N333-K337 PolarHBondContact O-N 2.9Å; N333-E630 WeakPolarHBondContact CB-OE1 3.11Å; N333-E630 WeakPolarHBondContact CB-OE2 3.32Å; N333-E630 PolarHBondContact ND2-OE1 3.49Å
334	I	85.9	Confident	93.4	Very high	17 Å²	17	20.5 Å²	20.5	9%	0.087	10%	0.097	C	C	.	.	H	α-helix	trans	-63.1	-49.7	172.3	-64	172.5	0	0	0	109.9	Y194 P232 L233 Y237 T332 Y336 K337 M338	Y194-I334 HydrophobicContact CD1-CD1 4.26Å; Y194-I334 HydrophobicContact CE1-CD1 4.05Å; P232-I334 HydrophobicContact CB-CD1 4.16Å; P232-I334 HydrophobicContact CB-CG2 3.84Å; L233-I334 HydrophobicContact CD2-CB 4.45Å; L233-I334 HydrophobicContact CD2-CG2 3.86Å; L233-I334 HydrophobicContact CG-CG2 4.09Å; Y237-I334 HydrophobicContact CD2-CD1 3.86Å; Y237-I334 HydrophobicContact CE2-CD1 3.7Å; Y237-I334 HydrophobicContact CE2-CG1 4.44Å; T332-I334 PolarHBondContact O-N 3.07Å; I334-Y336 VanDerWaalsContact C-N 3.34Å; I334-Y336 PolarHBondContact O-N 3.09Å; I334-K337 PolarHBondContact O-N 3.21Å; I334-M338 WeakPolarHBondContact O-CG 3.43Å; I334-M338 PolarHBondContact O-N 2.74Å
335	E	90.1	Very high	93.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.2	-42.9	177.8	-169	173.2	-172.7	0	0	111.1	L233 R329 L331 T332 K337 M338 V339 R427	L233-E335 HydrophobicContact CD2-CB 3.79Å; L233-E335 HydrophobicContact CD2-CG 4.3Å; R329-E335 IonicContact CZ-OE1 3.41Å; R329-E335 IonicContact CZ-OE2 3.47Å; R329-E335 IonicContact NE-OE1 3.84Å; R329-E335 IonicContact NE-OE2 3.37Å; R329-E335 PolarHBondContact NE-OE2 2.86Å; R329-E335 VanDerWaalsContact NE-OE2 3.07Å; R329-E335 IonicContact NH2-OE1 2.7Å; R329-E335 PolarHBondContact NH2-OE1 3.3Å; R329-E335 IonicContact NH2-OE2 3.23Å; L331-E335 HydrophobicContact CD1-CB 3.95Å; L331-E335 HydrophobicContact CD1-CG 3.63Å; T332-E335 PolarHBondContact O-N 2.73Å; T332-E335 VanDerWaalsContact OG1-CB 3.25Å; T332-E335 WeakPolarHBondContact OG1-CB 3.32Å; T332-E335 PolarHBondContact OG1-N 3.36Å; E335-K337 PolarHBondContact O-N 2.84Å; E335-M338 WeakPolarHBondContact O-CB 3.35Å; E335-M338 PolarHBondContact O-N 3.38Å; E335-V339 WeakPolarHBondContact O-CG2 3.49Å; E335-V339 PolarHBondContact O-N 2.75Å; E335-R427 VanDerWaalsContact CD-NH2 3.34Å; E335-R427 IonicContact OE1-CZ 2.73Å; E335-R427 IonicContact OE1-NE 2.64Å; E335-R427 PolarHBondContact OE1-NE 2.75Å; E335-R427 IonicContact OE1-NH2 3.73Å; E335-R427 PolarHBondContact OE1-NH2 3.23Å; E335-R427 IonicContact OE2-NH2 2.91Å; E335-R427 PolarHBondContact OE2-NH2 3.13Å; E335-R427 VanDerWaalsContact OE2-NH2 3.16Å
336	Y	92.1	Very high	93.2	Very high	52 Å²	52	17 Å²	17	20%	0.204	8%	0.077	C	C	.	.	H	α-helix	trans	-60.7	-42.1	176.2	-172.5	-118.1	0	0	0	112.2	L141 L331 T332 I334 M338 V339 L340 P412 F414	L141-Y336 HydrophobicContact CD2-CE1 4.08Å; L331-Y336 HydrophobicContact CD2-CD2 3.92Å; T332-Y336 WeakPolarHBondContact O-CB 3.36Å; T332-Y336 PolarHBondContact O-N 2.97Å; I334-Y336 VanDerWaalsContact C-N 3.34Å; I334-Y336 PolarHBondContact O-N 3.09Å; Y336-M338 VanDerWaalsContact C-N 3.26Å; Y336-M338 PolarHBondContact O-N 2.75Å; Y336-V339 WeakPolarHBondContact O-CA 3.33Å; Y336-V339 WeakPolarHBondContact O-CB 3.4Å; Y336-V339 PolarHBondContact O-N 3.39Å; Y336-V339 VanDerWaalsContact O-N 3.09Å; Y336-L340 HydrophobicContact CD1-CD1 4.23Å; Y336-L340 HydrophobicContact CD1-CG 4.39Å; Y336-L340 HydrophobicContact CE1-CD1 4.04Å; Y336-L340 HydrophobicContact CE1-CD2 4.09Å; Y336-L340 HydrophobicContact CE1-CG 4.19Å; Y336-L340 HydrophobicContact CE2-CD2 4.38Å; Y336-L340 WeakPolarHBondContact O-CG 3.38Å; Y336-L340 PolarHBondContact O-N 3.22Å; Y336-P412 PolarHBondContact OH-O 3.49Å; Y336-F414 HydrophobicContact CE2-CD1 4.36Å
337	K	91.4	Very high	93.2	Very high	86 Å²	86	16 Å²	16	37%	0.374	7%	0.073	S	C	.	.	H	α-helix	trans	-60.1	-35.1	173.6	-73.7	170	-175	172.4	0	112.7	N333 I334 E335 L340 D341 L368	N333-K337 VanDerWaalsContact O-CG 3.29Å; N333-K337 WeakPolarHBondContact O-CG 3.33Å; N333-K337 PolarHBondContact O-N 2.9Å; I334-K337 PolarHBondContact O-N 3.21Å; E335-K337 PolarHBondContact O-N 2.84Å; K337-L340 WeakPolarHBondContact O-CB 3.45Å; K337-L340 PolarHBondContact O-N 2.94Å; K337-D341 PolarHBondContact O-N 3.24Å; K337-D341 VanDerWaalsContact O-N 3.12Å; K337-L368 HydrophobicContact CB-CD1 4.22Å; K337-L368 HydrophobicContact CG-CD1 4.12Å
338	M	92.6	Very high	93.1	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.01	7%	0.067	C	C	.	.	H	α-helix	trans	-69.8	-37.8	174.4	-61.8	-61.1	160.2	0	0	111.8	L233 I334 E335 Y336 L340 D341 Y342 H369 P458 W461	L233-M338 HydrophobicContact CD1-CG 4.15Å; I334-M338 WeakPolarHBondContact O-CG 3.43Å; I334-M338 PolarHBondContact O-N 2.74Å; E335-M338 WeakPolarHBondContact O-CB 3.35Å; E335-M338 PolarHBondContact O-N 3.38Å; Y336-M338 VanDerWaalsContact C-N 3.26Å; Y336-M338 PolarHBondContact O-N 2.75Å; M338-L340 VanDerWaalsContact C-N 3.31Å; M338-L340 PolarHBondContact O-N 2.85Å; M338-D341 PolarHBondContact O-N 2.92Å; M338-Y342 WeakPolarHBondContact O-CB 3.32Å; M338-Y342 PolarHBondContact O-N 2.75Å; M338-H369 WeakPolarHBondContact CE-CE1 3.22Å; M338-H369 WeakPolarHBondContact CE-NE2 3.09Å; M338-P458 HydrophobicContact CB-CG 4.01Å; M338-P458 HydrophobicContact CG-CG 4.1Å; M338-P458 HydrophobicContact SD-CG 4.36Å; M338-W461 HydrophobicContact CB-CH2 3.63Å; M338-W461 HydrophobicContact CB-CZ2 4.46Å; M338-W461 HydrophobicContact CB-CZ3 4.14Å
339	V	95.4	Very high	93	Very high	2 Å²	2	18 Å²	18	1%	0.012	8%	0.081	C	C	.	.	H	α-helix	trans	-59.2	-42.8	170.5	172.7	0	0	0	0	111.1	E335 Y336 D341 Y342 L343 I429 I431 Q453 W461	E335-V339 WeakPolarHBondContact O-CG2 3.49Å; E335-V339 PolarHBondContact O-N 2.75Å; Y336-V339 WeakPolarHBondContact O-CA 3.33Å; Y336-V339 WeakPolarHBondContact O-CB 3.4Å; Y336-V339 PolarHBondContact O-N 3.39Å; Y336-V339 VanDerWaalsContact O-N 3.09Å; V339-D341 PolarHBondContact O-N 2.97Å; V339-Y342 PolarHBondContact O-N 2.6Å; V339-L343 HydrophobicContact CG1-CD1 3.89Å; V339-L343 HydrophobicContact CG1-CG 4.35Å; V339-L343 WeakPolarHBondContact O-CB 3.41Å; V339-L343 VanDerWaalsContact O-CG 3.28Å; V339-L343 WeakPolarHBondContact O-CG 3.25Å; V339-L343 PolarHBondContact O-N 3.46Å; V339-I429 HydrophobicContact CG1-CD1 4.47Å; V339-I429 HydrophobicContact CG2-CD1 4.34Å; V339-I431 HydrophobicContact CG1-CD1 3.26Å; V339-Q453 VanDerWaalsContact CG2-OE1 3.25Å; V339-W461 HydrophobicContact CB-CZ3 4.42Å; V339-W461 HydrophobicContact CG2-CH2 3.77Å; V339-W461 HydrophobicContact CG2-CZ3 3.8Å
340	L	96.4	Very high	92.9	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.01	8%	0.081	C	C	.	.	H	α-helix	trans	-61.3	-42.5	176.6	-63.6	179.2	0	0	0	112.4	L141 Y336 K337 M338 T344 Y362 F363 M364 P412	L141-L340 HydrophobicContact CD1-CD1 4.29Å; L141-L340 HydrophobicContact CD2-CD1 4.33Å; Y336-L340 HydrophobicContact CD1-CD1 4.23Å; Y336-L340 HydrophobicContact CD1-CG 4.39Å; Y336-L340 HydrophobicContact CE1-CD1 4.04Å; Y336-L340 HydrophobicContact CE1-CD2 4.09Å; Y336-L340 HydrophobicContact CE1-CG 4.19Å; Y336-L340 HydrophobicContact CE2-CD2 4.38Å; Y336-L340 WeakPolarHBondContact O-CG 3.38Å; Y336-L340 PolarHBondContact O-N 3.22Å; K337-L340 WeakPolarHBondContact O-CB 3.45Å; K337-L340 PolarHBondContact O-N 2.94Å; M338-L340 VanDerWaalsContact C-N 3.31Å; M338-L340 PolarHBondContact O-N 2.85Å; L340-T344 PolarHBondContact O-N 2.81Å; L340-T344 PolarHBondContact O-OG1 2.78Å; L340-Y362 PolarHBondContact O-OH 2.97Å; L340-F363 HydrophobicContact CD1-CZ 4.18Å; L340-F363 HydrophobicContact CD2-CE1 4.05Å; L340-F363 HydrophobicContact CD2-CZ 4.04Å; L340-M364 HydrophobicContact CB-CE 4.45Å; L340-M364 HydrophobicContact CB-SD 3.86Å; L340-M364 HydrophobicContact CD1-SD 4.47Å; L340-P412 HydrophobicContact CD2-CG 3.37Å
341	D	94.3	Very high	92.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.6	-46.2	175.8	-79.9	6.9	0	0	0	111.9	K337 M338 V339 L343 T344 I345 P367 L368 H369	K337-D341 PolarHBondContact O-N 3.24Å; K337-D341 VanDerWaalsContact O-N 3.12Å; M338-D341 PolarHBondContact O-N 2.92Å; V339-D341 PolarHBondContact O-N 2.97Å; D341-L343 VanDerWaalsContact C-N 3.34Å; D341-L343 PolarHBondContact O-N 3.26Å; D341-T344 VanDerWaalsContact O-CB 3.32Å; D341-T344 WeakPolarHBondContact O-CB 3.37Å; D341-T344 PolarHBondContact O-N 3.21Å; D341-T344 VanDerWaalsContact O-N 3.1Å; D341-I345 PolarHBondContact O-N 3.4Å; D341-I345 VanDerWaalsContact O-N 3.1Å; D341-P367 HydrophobicContact CB-CB 4.02Å; D341-P367 WeakPolarHBondContact OD1-CA 3.32Å; D341-L368 WeakPolarHBondContact OD1-CB 3.26Å; D341-L368 PolarHBondContact OD1-N 3.35Å; D341-H369 WeakPolarHBondContact OD2-CB 3.24Å; D341-H369 IonicContact OD2-CE1 3.43Å; D341-H369 IonicContact OD2-CG 3.82Å; D341-H369 PolarHBondContact OD2-N 2.73Å; D341-H369 IonicContact OD2-ND1 4Å; D341-H369 PolarHBondContact OD2-ND1 3Å
342	Y	95.5	Very high	92.9	Very high	17 Å²	17	22.5 Å²	22.5	7%	0.067	10%	0.101	C	C	.	.	H	α-helix	trans	-57.9	-48	176.8	-171.2	-89.5	0	0	0	111	M338 V339 T344 I345 Q346 I451 W461 L463	M338-Y342 WeakPolarHBondContact O-CB 3.32Å; M338-Y342 PolarHBondContact O-N 2.75Å; V339-Y342 PolarHBondContact O-N 2.6Å; Y342-T344 VanDerWaalsContact C-N 3.3Å; Y342-T344 PolarHBondContact O-N 3.02Å; Y342-I345 WeakPolarHBondContact O-CB 3.31Å; Y342-I345 PolarHBondContact O-N 2.79Å; Y342-Q346 HydrophobicContact CD1-CG 3.84Å; Y342-Q346 HydrophobicContact CE1-CG 3.62Å; Y342-Q346 WeakPolarHBondContact O-CG 3.36Å; Y342-Q346 PolarHBondContact O-N 3.21Å; Y342-I451 HydrophobicContact CD1-CD1 3.95Å; Y342-I451 HydrophobicContact CD1-CG2 4.43Å; Y342-I451 HydrophobicContact CE1-CD1 4.13Å; Y342-I451 HydrophobicContact CE1-CG1 4.33Å; Y342-I451 HydrophobicContact CE1-CG2 4.12Å; Y342-W461 HydrophobicContact CD2-CB 4.13Å; Y342-W461 AromaticContact CD2-CE3 3.87Å; Y342-W461 HydrophobicContact CD2-CE3 3.87Å; Y342-W461 HydrophobicContact CE2-CB 3.68Å; Y342-W461 AromaticContact CG-CE3 3.94Å; Y342-W461 HydrophobicContact CG-CE3 3.94Å; Y342-W461 PolarHBondContact OH-O 3.31Å; Y342-W461 VanDerWaalsContact OH-O 3.1Å; Y342-L463 PolarHBondContact OH-N 2.96Å
343	L	97.3	Very high	93.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.6	-34	175.6	-72.7	170	0	0	0	112.7	V339 D341 I345 Q346 T347 Y362 P412 I431 F449 I451	V339-L343 HydrophobicContact CG1-CD1 3.89Å; V339-L343 HydrophobicContact CG1-CG 4.35Å; V339-L343 WeakPolarHBondContact O-CB 3.41Å; V339-L343 VanDerWaalsContact O-CG 3.28Å; V339-L343 WeakPolarHBondContact O-CG 3.25Å; V339-L343 PolarHBondContact O-N 3.46Å; D341-L343 VanDerWaalsContact C-N 3.34Å; D341-L343 PolarHBondContact O-N 3.26Å; L343-I345 VanDerWaalsContact C-N 3.28Å; L343-I345 PolarHBondContact O-N 3.35Å; L343-Q346 PolarHBondContact O-N 2.9Å; L343-T347 VanDerWaalsContact O-CB 3.31Å; L343-T347 WeakPolarHBondContact O-CB 3.41Å; L343-T347 VanDerWaalsContact O-CG2 3.27Å; L343-T347 WeakPolarHBondContact O-CG2 3.26Å; L343-T347 PolarHBondContact O-N 3.13Å; L343-T347 PolarHBondContact O-OG1 2.88Å; L343-Y362 HydrophobicContact CB-CE1 4.37Å; L343-Y362 HydrophobicContact CB-CE2 4.46Å; L343-P412 HydrophobicContact CD1-CB 3.62Å; L343-P412 HydrophobicContact CD1-CG 3.96Å; L343-I431 HydrophobicContact CD1-CD1 3.77Å; L343-I431 HydrophobicContact CD1-CG2 3.9Å; L343-I431 HydrophobicContact CD2-CD1 4.36Å; L343-I431 HydrophobicContact CD2-CG2 4.49Å; L343-I431 HydrophobicContact CG-CD1 4.34Å; L343-F449 HydrophobicContact CD2-CB 4.17Å; L343-F449 HydrophobicContact CD2-CD1 4.42Å; L343-F449 HydrophobicContact CD2-CD2 3.73Å; L343-F449 HydrophobicContact CD2-CE2 4.22Å; L343-F449 HydrophobicContact CD2-CG 3.85Å; L343-I451 HydrophobicContact CD2-CD1 3.89Å; L343-I451 HydrophobicContact CG-CD1 4.39Å
344	T	95.2	Very high	93.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60.1	-43	174.5	-54.5	0	0	0	0	110.6	L340 D341 Y342 T347 N348 Y362 M364 P367	L340-T344 PolarHBondContact O-N 2.81Å; L340-T344 PolarHBondContact O-OG1 2.78Å; D341-T344 VanDerWaalsContact O-CB 3.32Å; D341-T344 WeakPolarHBondContact O-CB 3.37Å; D341-T344 PolarHBondContact O-N 3.21Å; D341-T344 VanDerWaalsContact O-N 3.1Å; Y342-T344 VanDerWaalsContact C-N 3.3Å; Y342-T344 PolarHBondContact O-N 3.02Å; T344-T347 PolarHBondContact O-OG1 3.49Å; T344-N348 VanDerWaalsContact O-CB 3.26Å; T344-N348 WeakPolarHBondContact O-CB 3.39Å; T344-N348 PolarHBondContact O-N 3.37Å; T344-Y362 WeakPolarHBondContact OG1-CE1 3.46Å; T344-M364 HydrophobicContact CG2-CB 4.13Å; T344-M364 WeakPolarHBondContact OG1-CB 2.94Å; T344-M364 WeakPolarHBondContact OG1-CE 3.44Å; T344-P367 HydrophobicContact CG2-CG 4.36Å
345	I	93.9	Very high	94.2	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-63.5	-48.7	176	-64.6	156.4	0	0	0	110.4	D341 Y342 L343 N348 R349 P367 W372 Y376 W380 F381	D341-I345 PolarHBondContact O-N 3.4Å; D341-I345 VanDerWaalsContact O-N 3.1Å; Y342-I345 WeakPolarHBondContact O-CB 3.31Å; Y342-I345 PolarHBondContact O-N 2.79Å; L343-I345 VanDerWaalsContact C-N 3.28Å; L343-I345 PolarHBondContact O-N 3.35Å; I345-N348 PolarHBondContact O-N 2.77Å; I345-R349 WeakPolarHBondContact O-CG 3.47Å; I345-R349 PolarHBondContact O-N 2.85Å; I345-P367 HydrophobicContact CG1-CG 4.26Å; I345-W372 HydrophobicContact CD1-CB 4.28Å; I345-W372 HydrophobicContact CD1-CD2 3.53Å; I345-W372 HydrophobicContact CD1-CE3 3.36Å; I345-W372 HydrophobicContact CD1-CG 3.97Å; I345-W372 HydrophobicContact CD1-CH2 4.32Å; I345-W372 HydrophobicContact CD1-CZ2 4.48Å; I345-W372 HydrophobicContact CD1-CZ3 3.78Å; I345-Y376 HydrophobicContact CD1-CD2 4.4Å; I345-Y376 HydrophobicContact CD1-CE2 3.8Å; I345-Y376 HydrophobicContact CG1-CE2 4.15Å; I345-Y376 HydrophobicContact CG2-CE1 4.26Å; I345-Y376 HydrophobicContact CG2-CE2 3.93Å; I345-W380 HydrophobicContact CG2-CH2 4.37Å; I345-F381 HydrophobicContact CG1-CZ 3.99Å
346	Q	95.5	Very high	94.5	Very high	6 Å²	6	24 Å²	24	3%	0.028	11%	0.106	C	C	.	.	H	α-helix	trans	-65	-45.5	-178.1	-56.9	-37.7	-39.5	0	0	112.4	Y342 L343 N348 R349 F449 L463 I476	Y342-Q346 HydrophobicContact CD1-CG 3.84Å; Y342-Q346 HydrophobicContact CE1-CG 3.62Å; Y342-Q346 WeakPolarHBondContact O-CG 3.36Å; Y342-Q346 PolarHBondContact O-N 3.21Å; L343-Q346 PolarHBondContact O-N 2.9Å; Q346-N348 PolarHBondContact O-N 2.82Å; Q346-R349 PolarHBondContact O-N 2.76Å; Q346-F449 HydrophobicContact CB-CD1 4.48Å; Q346-F449 HydrophobicContact CB-CE1 4.13Å; Q346-L463 HydrophobicContact CG-CD2 4.35Å; Q346-I476 HydrophobicContact CB-CD1 4.04Å; Q346-I476 WeakPolarHBondContact O-CD1 3.16Å
347	T	95.9	Very high	94.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-67.2	-35.6	179.6	54.2	0	0	0	0	112.2	L343 T344 R349 M350 N351 I354 Y362 L433 F449	L343-T347 VanDerWaalsContact O-CB 3.31Å; L343-T347 WeakPolarHBondContact O-CB 3.41Å; L343-T347 VanDerWaalsContact O-CG2 3.27Å; L343-T347 WeakPolarHBondContact O-CG2 3.26Å; L343-T347 PolarHBondContact O-N 3.13Å; L343-T347 PolarHBondContact O-OG1 2.88Å; T344-T347 PolarHBondContact O-OG1 3.49Å; T347-R349 VanDerWaalsContact C-N 3.35Å; T347-R349 PolarHBondContact O-N 3Å; T347-M350 CarbonylContact O-C 3.56Å; T347-M350 WeakPolarHBondContact O-CG 3.49Å; T347-M350 PolarHBondContact O-N 3.34Å; T347-M350 VanDerWaalsContact O-N 3.16Å; T347-N351 WeakPolarHBondContact O-CA 3.33Å; T347-N351 PolarHBondContact O-N 2.88Å; T347-I354 HydrophobicContact CG2-CD1 4.32Å; T347-Y362 HydrophobicContact CG2-CD2 4.04Å; T347-Y362 HydrophobicContact CG2-CG 4Å; T347-Y362 WeakPolarHBondContact OG1-CB 3.43Å; T347-Y362 WeakPolarHBondContact OG1-CD1 3.43Å; T347-L433 HydrophobicContact CG2-CD1 4.2Å; T347-F449 HydrophobicContact CG2-CE2 4.19Å; T347-F449 HydrophobicContact CG2-CZ 3.81Å
348	N	93.3	Very high	94.9	Very high	6 Å²	6	17.4 Å²	17.4	3%	0.032	8%	0.078	C	C	.	.	H	α-helix	trans	-60.2	-42.1	174.4	-82.3	-8.2	0	0	0	112.2	T344 I345 Q346 M350 N351 Y365 W380 F381 F384	T344-N348 VanDerWaalsContact O-CB 3.26Å; T344-N348 WeakPolarHBondContact O-CB 3.39Å; T344-N348 PolarHBondContact O-N 3.37Å; I345-N348 PolarHBondContact O-N 2.77Å; Q346-N348 PolarHBondContact O-N 2.82Å; N348-M350 PolarHBondContact O-N 2.87Å; N348-M350 VanDerWaalsContact O-N 3.11Å; N348-N351 WeakPolarHBondContact O-CB 3.46Å; N348-N351 PolarHBondContact O-N 3.42Å; N348-N351 VanDerWaalsContact O-N 3.13Å; N348-Y365 PolarHBondContact ND2-O 2.94Å; N348-W380 HydrophobicContact CB-CH2 3.74Å; N348-W380 HydrophobicContact CB-CZ2 4.44Å; N348-W380 HydrophobicContact CB-CZ3 4.29Å; N348-F381 WeakPolarHBondContact ND2-CD1 3.48Å; N348-F381 WeakPolarHBondContact ND2-CE1 3.02Å; N348-F384 HydrophobicContact CB-CD1 4.16Å; N348-F384 HydrophobicContact CB-CD2 4.04Å; N348-F384 HydrophobicContact CB-CE1 4.3Å; N348-F384 HydrophobicContact CB-CE2 4.18Å; N348-F384 HydrophobicContact CB-CG 4.03Å; N348-F384 HydrophobicContact CB-CZ 4.31Å; N348-F384 WeakPolarHBondContact O-CE1 3.36Å; N348-F384 VanDerWaalsContact O-CZ 3.22Å; N348-F384 WeakPolarHBondContact O-CZ 3.28Å
349	R	93	Very high	95	Very high	84 Å²	84	20 Å²	20	32%	0.317	10%	0.096	S	C	.	.	H	α-helix	trans	-58.1	-26.7	177.3	-67.2	165.5	67.3	-170.9	6.7	113.3	I345 Q346 T347 W380 I476 E477	I345-R349 WeakPolarHBondContact O-CG 3.47Å; I345-R349 PolarHBondContact O-N 2.85Å; Q346-R349 PolarHBondContact O-N 2.76Å; T347-R349 VanDerWaalsContact C-N 3.35Å; T347-R349 PolarHBondContact O-N 3Å; R349-W380 HydrophobicContact CG-CH2 4.1Å; R349-W380 HydrophobicContact CG-CZ2 3.82Å; R349-I476 HydrophobicContact CB-CD1 3.95Å; R349-I476 HydrophobicContact CB-CG2 4.1Å; R349-E477 IonicContact CZ-OE1 3.93Å; R349-E477 IonicContact NE-OE1 2.68Å; R349-E477 IonicContact NH2-OE1 2.78Å; R349-E477 PolarHBondContact NH2-OE1 2.71Å; R349-E477 IonicContact NH2-OE2 2.59Å; R349-E477 PolarHBondContact NH2-OE2 2.92Å
350	M	94	Very high	95	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	16.9	179.7	63.7	169.4	70.6	0	0	113.3	T347 N348 H352 I353 I354 F449 I466 I476 L479	T347-M350 CarbonylContact O-C 3.56Å; T347-M350 WeakPolarHBondContact O-CG 3.49Å; T347-M350 PolarHBondContact O-N 3.34Å; T347-M350 VanDerWaalsContact O-N 3.16Å; N348-M350 PolarHBondContact O-N 2.87Å; N348-M350 VanDerWaalsContact O-N 3.11Å; M350-H352 VanDerWaalsContact C-N 3.26Å; M350-H352 PolarHBondContact O-N 2.85Å; M350-I353 HydrophobicContact CB-CG2 3.87Å; M350-I353 WeakPolarHBondContact O-CG2 3.25Å; M350-I353 PolarHBondContact O-N 2.8Å; M350-I354 HydrophobicContact CG-CD1 3.65Å; M350-I354 HydrophobicContact CG-CG1 4.04Å; M350-I354 WeakPolarHBondContact O-CG1 3.42Å; M350-I354 PolarHBondContact O-N 3.49Å; M350-I354 VanDerWaalsContact O-N 3.12Å; M350-I354 HydrophobicContact SD-CD1 3.84Å; M350-I354 HydrophobicContact SD-CG1 4.16Å; M350-F449 HydrophobicContact CE-CE1 3.82Å; M350-F449 HydrophobicContact CE-CZ 4.28Å; M350-F449 HydrophobicContact SD-CE1 4.22Å; M350-F449 HydrophobicContact SD-CZ 4.06Å; M350-I466 HydrophobicContact CE-CD1 3.5Å; M350-I466 VanDerWaalsContact CE-CD1 3.5Å; M350-I466 HydrophobicContact CE-CG2 4.22Å; M350-I476 HydrophobicContact CB-CG2 4.28Å; M350-I476 HydrophobicContact CE-CB 4.44Å; M350-I476 HydrophobicContact CE-CD1 3.72Å; M350-I476 HydrophobicContact CE-CG1 3.57Å; M350-I476 HydrophobicContact CE-CG2 4.26Å; M350-L479 HydrophobicContact CE-CD2 4.23Å
351	N	93.3	Very high	95	Very high	12 Å²	12	19.8 Å²	19.8	6%	0.064	10%	0.095	C	C	.	.	H	α-helix	trans	-61.9	-33.2	-170.8	-178.4	55.1	0	0	0	112.7	T347 N348 I354 M355 S361 F384	T347-N351 WeakPolarHBondContact O-CA 3.33Å; T347-N351 PolarHBondContact O-N 2.88Å; N348-N351 WeakPolarHBondContact O-CB 3.46Å; N348-N351 PolarHBondContact O-N 3.42Å; N348-N351 VanDerWaalsContact O-N 3.13Å; N351-I354 PolarHBondContact O-N 3.38Å; N351-M355 VanDerWaalsContact ND2-CE 3.28Å; N351-M355 WeakPolarHBondContact ND2-CE 3.4Å; N351-M355 PolarHBondContact ND2-SD 3.18Å; N351-M355 WeakPolarHBondContact O-CB 3.2Å; N351-M355 VanDerWaalsContact O-CG 3.27Å; N351-M355 WeakPolarHBondContact O-CG 3.33Å; N351-M355 PolarHBondContact O-N 3.09Å; N351-S361 PolarHBondContact OD1-OG 3.06Å; N351-F384 HydrophobicContact CB-CD1 4.33Å; N351-F384 HydrophobicContact CB-CE1 4.21Å
352	H	91.7	Very high	95.1	Very high	119 Å²	119	20 Å²	20	55%	0.551	10%	0.096	S	C	*	.	H	α-helix	trans	-58.3	-52.2	176.7	178.6	-83	0	0	0	112.2	M350 I354 M355 E356	M350-H352 VanDerWaalsContact C-N 3.26Å; M350-H352 PolarHBondContact O-N 2.85Å; H352-I354 VanDerWaalsContact C-N 3.34Å; H352-I354 PolarHBondContact O-N 3Å; H352-M355 PolarHBondContact O-N 2.99Å; H352-E356 IonicContact CE1-OE2 2.99Å; H352-E356 PolarHBondContact O-N 3.25Å
353	I	96	Very high	95.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-68.3	-34.9	-179.2	-167	176.7	0	0	0	111.1	M350 T357 F468 L479 L480 Y483 F488 V490	M350-I353 HydrophobicContact CB-CG2 3.87Å; M350-I353 WeakPolarHBondContact O-CG2 3.25Å; M350-I353 PolarHBondContact O-N 2.8Å; I353-T357 WeakPolarHBondContact O-CB 3.5Å; I353-T357 PolarHBondContact O-N 2.81Å; I353-T357 PolarHBondContact O-OG1 2.93Å; I353-F468 HydrophobicContact CD1-CE1 4.35Å; I353-F468 HydrophobicContact CD1-CZ 4.29Å; I353-F468 HydrophobicContact CG1-CZ 4.12Å; I353-F468 HydrophobicContact CG2-CE2 4.49Å; I353-L479 HydrophobicContact CD1-CD1 4.39Å; I353-L480 HydrophobicContact CG2-CD2 4.12Å; I353-Y483 HydrophobicContact CD1-CD1 4.25Å; I353-Y483 HydrophobicContact CD1-CD2 3.52Å; I353-Y483 HydrophobicContact CD1-CE2 4.05Å; I353-Y483 HydrophobicContact CD1-CG 3.63Å; I353-Y483 HydrophobicContact CG1-CD2 4.07Å; I353-Y483 HydrophobicContact CG1-CE2 4.06Å; I353-Y483 HydrophobicContact CG1-CG 4.4Å; I353-F488 HydrophobicContact CD1-CE1 4.33Å; I353-V490 HydrophobicContact CD1-CG1 3.64Å; I353-V490 HydrophobicContact CG1-CG1 3.65Å
354	I	96.7	Very high	94.8	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.2	-48.5	172.9	-65.1	179	0	0	0	110.8	T347 M350 N351 H352 T357 Y358 L410 I447	T347-I354 HydrophobicContact CG2-CD1 4.32Å; M350-I354 HydrophobicContact CG-CD1 3.65Å; M350-I354 HydrophobicContact CG-CG1 4.04Å; M350-I354 WeakPolarHBondContact O-CG1 3.42Å; M350-I354 PolarHBondContact O-N 3.49Å; M350-I354 VanDerWaalsContact O-N 3.12Å; M350-I354 HydrophobicContact SD-CD1 3.84Å; M350-I354 HydrophobicContact SD-CG1 4.16Å; N351-I354 PolarHBondContact O-N 3.38Å; H352-I354 VanDerWaalsContact C-N 3.34Å; H352-I354 PolarHBondContact O-N 3Å; I354-T357 PolarHBondContact O-N 3.09Å; I354-Y358 HydrophobicContact CG2-CD2 4.48Å; I354-Y358 PolarHBondContact O-N 2.93Å; I354-L410 HydrophobicContact CG2-CD1 3.65Å; I354-I447 HydrophobicContact CD1-CD1 4.19Å; I354-I447 HydrophobicContact CG1-CD1 3.85Å; I354-I447 HydrophobicContact CG2-CD1 4.31Å
355	M	95	Very high	94.5	Very high	49 Å²	49	23 Å²	23	24%	0.241	11%	0.109	C	C	.	.	H	α-helix	trans	-64.1	-44	-179.4	-74.2	-172.9	-58	0	0	112.1	N351 H352 S359 A360 S361 N388 L390	N351-M355 VanDerWaalsContact ND2-CE 3.28Å; N351-M355 WeakPolarHBondContact ND2-CE 3.4Å; N351-M355 PolarHBondContact ND2-SD 3.18Å; N351-M355 WeakPolarHBondContact O-CB 3.2Å; N351-M355 VanDerWaalsContact O-CG 3.27Å; N351-M355 WeakPolarHBondContact O-CG 3.33Å; N351-M355 PolarHBondContact O-N 3.09Å; H352-M355 PolarHBondContact O-N 2.99Å; M355-S359 WeakPolarHBondContact O-CA 3.31Å; M355-S359 PolarHBondContact O-N 3.15Å; M355-A360 WeakPolarHBondContact CA-O 3.37Å; M355-A360 WeakPolarHBondContact CG-O 3.45Å; M355-S361 WeakPolarHBondContact CG-OG 3.24Å; M355-N388 VanDerWaalsContact SD-O 3.37Å; M355-L390 HydrophobicContact CB-CD1 4.04Å; M355-L390 HydrophobicContact CG-CD1 3.86Å; M355-L390 HydrophobicContact CG-CG 4.15Å; M355-L390 HydrophobicContact SD-CD1 4.28Å; M355-L390 HydrophobicContact SD-CG 4.01Å
356	E	95.5	Very high	94.3	Very high	64 Å²	64	27.4 Å²	27.4	30%	0.299	13%	0.128	S	C	.	.	H	α-helix	trans	-61.6	-45.5	176.5	-178.5	-174.5	171.4	0	0	111.6	H352 Y483	H352-E356 IonicContact CE1-OE2 2.99Å; H352-E356 PolarHBondContact O-N 3.25Å; E356-Y483 PolarHBondContact OE2-OH 3.39Å
357	T	96.9	Very high	94.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-73	-48.7	-173.4	-54.6	0	0	0	0	110.9	I353 I354 F468 V490 I491 K492 H493	I353-T357 WeakPolarHBondContact O-CB 3.5Å; I353-T357 PolarHBondContact O-N 2.81Å; I353-T357 PolarHBondContact O-OG1 2.93Å; I354-T357 PolarHBondContact O-N 3.09Å; T357-F468 HydrophobicContact CG2-CE1 4.29Å; T357-F468 HydrophobicContact CG2-CZ 4.28Å; T357-V490 HydrophobicContact CG2-CB 4.38Å; T357-V490 WeakPolarHBondContact OG1-CG1 3.41Å; T357-I491 WeakPolarHBondContact CG2-O 3.49Å; T357-K492 CarbonylContact O-C 3.59Å; T357-K492 WeakPolarHBondContact O-CA 3.49Å; T357-H493 PolarHBondContact O-N 2.96Å
358	Y	96	Very high	93.8	Very high	1 Å²	1	31.4 Å²	31.4	0%	0.004	15%	0.15	C	C	.	.	H	α-helix	trans	-110.7	-4.1	-168.4	-60.8	-71.9	0	0	0	114.1	I354 A360 R435 V445 D446 I447 F468 Q469 H493	I354-Y358 HydrophobicContact CG2-CD2 4.48Å; I354-Y358 PolarHBondContact O-N 2.93Å; Y358-A360 PolarHBondContact O-N 2.89Å; Y358-R435 PolarHBondContact O-NH1 3.06Å; Y358-R435 PolarHBondContact O-NH2 2.83Å; Y358-V445 HydrophobicContact CD1-CB 3.78Å; Y358-V445 HydrophobicContact CD1-CG1 3.61Å; Y358-V445 HydrophobicContact CD2-CB 4.48Å; Y358-V445 HydrophobicContact CE1-CB 3.65Å; Y358-V445 HydrophobicContact CE1-CG1 3.98Å; Y358-V445 HydrophobicContact CE2-CB 4.38Å; Y358-V445 HydrophobicContact CG-CB 4.19Å; Y358-V445 HydrophobicContact CG-CG1 4.02Å; Y358-D446 PolarHBondContact OH-N 3.5Å; Y358-D446 PolarHBondContact OH-O 3.18Å; Y358-I447 HydrophobicContact CD2-CD1 3.76Å; Y358-I447 HydrophobicContact CD2-CG1 4.37Å; Y358-I447 HydrophobicContact CE2-CD1 3.42Å; Y358-I447 VanDerWaalsContact CE2-CD1 3.42Å; Y358-I447 HydrophobicContact CE2-CG1 3.54Å; Y358-F468 HydrophobicContact CE2-CE2 4.35Å; Y358-F468 AromaticContact CE2-CZ 3.96Å; Y358-F468 HydrophobicContact CE2-CZ 3.96Å; Y358-Q469 WeakPolarHBondContact OH-CG 3.33Å; Y358-H493 HydrophobicContact CD1-CB 3.94Å; Y358-H493 HydrophobicContact CE1-CB 3.9Å
359	S	95.4	Very high	93.5	Very high	55 Å²	55	33.3 Å²	33.3	39%	0.385	16%	0.158	S	C	.	.	S	Bend	trans	52.4	36.4	-172.3	-54.3	0	0	0	0	112.1	M355 L390 N408	M355-S359 WeakPolarHBondContact O-CA 3.31Å; M355-S359 PolarHBondContact O-N 3.15Å; S359-L390 VanDerWaalsContact C-CD1 3.45Å; S359-N408 PolarHBondContact O-OD1 3.39Å
360	A	95.2	Very high	93.1	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.			trans	-144.3	166.2	-177.6	0	0	0	0	0	110.3	M355 Y358 N408 L410	M355-A360 WeakPolarHBondContact CA-O 3.37Å; M355-A360 WeakPolarHBondContact CG-O 3.45Å; Y358-A360 PolarHBondContact O-N 2.89Å; A360-N408 WeakPolarHBondContact CA-O 3.38Å; A360-N408 WeakPolarHBondContact CB-O 3.47Å; A360-L410 HydrophobicContact CB-CD1 4.14Å; A360-L410 HydrophobicContact CB-CD2 3.89Å; A360-L410 HydrophobicContact CB-CG 3.77Å
361	S	95.7	Very high	92.7	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.007	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	159.5	171.1	-60.9	0	0	0	0	109.4	N351 M355 L390 N408 L410	N351-S361 PolarHBondContact OD1-OG 3.06Å; M355-S361 WeakPolarHBondContact CG-OG 3.24Å; S361-L390 PolarHBondContact OG-N 3.21Å; S361-N408 PolarHBondContact N-O 3.37Å; S361-L410 PolarHBondContact O-N 2.93Å
362	Y	96.2	Very high	92.4	Very high	3 Å²	3	37.3 Å²	37.3	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	143.1	169.7	-170.4	-119.3	0	0	0	110.6	L340 L343 T344 T347 M364 L410 P412 L433	L340-Y362 PolarHBondContact O-OH 2.97Å; L343-Y362 HydrophobicContact CB-CE1 4.37Å; L343-Y362 HydrophobicContact CB-CE2 4.46Å; T344-Y362 WeakPolarHBondContact OG1-CE1 3.46Å; T347-Y362 HydrophobicContact CG2-CD2 4.04Å; T347-Y362 HydrophobicContact CG2-CG 4Å; T347-Y362 WeakPolarHBondContact OG1-CB 3.43Å; T347-Y362 WeakPolarHBondContact OG1-CD1 3.43Å; Y362-M364 HydrophobicContact CD1-CB 3.97Å; Y362-M364 VanDerWaalsContact CD1-O 3.26Å; Y362-M364 WeakPolarHBondContact CD1-O 3.26Å; Y362-M364 HydrophobicContact CE1-CB 3.84Å; Y362-M364 HydrophobicContact CE1-CG 4.42Å; Y362-M364 HydrophobicContact CE1-SD 4.46Å; Y362-M364 PolarHBondContact O-N 3.39Å; Y362-L410 VanDerWaalsContact CD2-O 3.29Å; Y362-L410 WeakPolarHBondContact CD2-O 2.94Å; Y362-P412 HydrophobicContact CE2-CB 4.43Å; Y362-P412 HydrophobicContact CE2-CG 4.11Å; Y362-L433 HydrophobicContact CD2-CD2 4.05Å; Y362-L433 HydrophobicContact CE2-CD2 3.95Å
363	F	94.6	Very high	92.1	Very high	22 Å²	22	32.7 Å²	32.7	10%	0.096	16%	0.16	C	C	.	.	S	Bend	trans	-65.1	-26.3	-170.7	81.7	-76.9	0	0	0	112.8	L141 L340 Q392 C409 L410 I411 P412	L141-F363 HydrophobicContact CD1-CE2 4.15Å; L141-F363 HydrophobicContact CD1-CZ 4.42Å; L340-F363 HydrophobicContact CD1-CZ 4.18Å; L340-F363 HydrophobicContact CD2-CE1 4.05Å; L340-F363 HydrophobicContact CD2-CZ 4.04Å; F363-Q392 PolarHBondContact O-NE2 2.78Å; F363-C409 HydrophobicContact CB-CB 4.3Å; F363-L410 WeakPolarHBondContact CB-O 3.21Å; F363-L410 WeakPolarHBondContact CD1-O 3.29Å; F363-L410 PolarHBondContact N-O 2.78Å; F363-I411 HydrophobicContact CB-CG2 4Å; F363-I411 HydrophobicContact CD1-CG2 3.96Å; F363-I411 HydrophobicContact CG-CG2 3.91Å; F363-P412 HydrophobicContact CE1-CG 4.34Å
364	M	92.9	Very high	91.6	Very high	16 Å²	16	40.6 Å²	40.6	8%	0.079	19%	0.191	C	C	.	.			trans	-99.8	130.9	170.1	-67.5	168	58.8	0	0	109.6	L340 T344 Y362 K366 L368	L340-M364 HydrophobicContact CB-CE 4.45Å; L340-M364 HydrophobicContact CB-SD 3.86Å; L340-M364 HydrophobicContact CD1-SD 4.47Å; T344-M364 HydrophobicContact CG2-CB 4.13Å; T344-M364 WeakPolarHBondContact OG1-CB 2.94Å; T344-M364 WeakPolarHBondContact OG1-CE 3.44Å; Y362-M364 HydrophobicContact CD1-CB 3.97Å; Y362-M364 VanDerWaalsContact CD1-O 3.26Å; Y362-M364 WeakPolarHBondContact CD1-O 3.26Å; Y362-M364 HydrophobicContact CE1-CB 3.84Å; Y362-M364 HydrophobicContact CE1-CG 4.42Å; Y362-M364 HydrophobicContact CE1-SD 4.46Å; Y362-M364 PolarHBondContact O-N 3.39Å; M364-K366 WeakPolarHBondContact CE-O 3.32Å; M364-L368 HydrophobicContact CE-CD1 4.4Å; M364-L368 HydrophobicContact CE-CD2 4.08Å; M364-L368 HydrophobicContact CE-CG 3.63Å
365	Y	88.9	Confident	91	Very high	43 Å²	43	45.3 Å²	45.3	17%	0.169	21%	0.211	C	C	.	.	S	Bend	trans	-94.2	-19.5	170.9	68.1	-89	0	0	0	112.3	N348 F384 E386 Q392	N348-Y365 PolarHBondContact ND2-O 2.94Å; Y365-F384 WeakPolarHBondContact CD2-O 3.42Å; Y365-E386 HydrophobicContact CE1-CB 4.37Å; Y365-E386 HydrophobicContact CE1-CG 4.31Å; Y365-Q392 HydrophobicContact CD1-CG 3.63Å; Y365-Q392 HydrophobicContact CE1-CG 4.2Å; Y365-Q392 HydrophobicContact CG-CG 4.43Å
366	K	89.6	Confident	90.5	Very high	93 Å²	93	46.9 Å²	46.9	40%	0.404	22%	0.215	S	C	.	.	S	Bend	trans	-138.9	148.1	177.5	69	178.9	-179.7	-170.4	0	110.8	M364 L373	M364-K366 WeakPolarHBondContact CE-O 3.32Å; K366-L373 HydrophobicContact CB-CD2 4.21Å
367	P	90.8	Very high	89.6	Confident	5 Å²	5	48.3 Å²	48.3	3%	0.032	23%	0.225	C	C	.	.			trans	-56.3	151.2	171.6	-28	35.8	0	0	0	112.9	D341 T344 I345 H369 W372 L373 F381	D341-P367 HydrophobicContact CB-CB 4.02Å; D341-P367 WeakPolarHBondContact OD1-CA 3.32Å; T344-P367 HydrophobicContact CG2-CG 4.36Å; I345-P367 HydrophobicContact CG1-CG 4.26Å; P367-H369 VanDerWaalsContact C-N 3.34Å; P367-W372 HydrophobicContact CB-CB 3.83Å; P367-W372 HydrophobicContact CB-CG 4.12Å; P367-W372 HydrophobicContact CG-CB 3.69Å; P367-W372 HydrophobicContact CG-CG 4.23Å; P367-L373 HydrophobicContact CG-CD2 4.49Å; P367-F381 VanDerWaalsContact CD-CZ 3.43Å; P367-F381 HydrophobicContact CG-CE1 3.88Å; P367-F381 HydrophobicContact CG-CE2 4.3Å; P367-F381 HydrophobicContact CG-CZ 3.53Å
368	L	88.6	Confident	88.4	Confident	85 Å²	85	51.8 Å²	51.8	45%	0.445	24%	0.243	S	C	.	.	S	Bend	trans	-67.1	-36.4	171.6	-63.1	174.7	0	0	0	111.3	K337 D341 M364	K337-L368 HydrophobicContact CB-CD1 4.22Å; K337-L368 HydrophobicContact CG-CD1 4.12Å; D341-L368 WeakPolarHBondContact OD1-CB 3.26Å; D341-L368 PolarHBondContact OD1-N 3.35Å; M364-L368 HydrophobicContact CE-CD1 4.4Å; M364-L368 HydrophobicContact CE-CD2 4.08Å; M364-L368 HydrophobicContact CE-CG 3.63Å
369	H	88.3	Confident	87.1	Confident	47 Å²	47	55.5 Å²	55.5	22%	0.218	27%	0.266	C	S	.	.	S	Bend	trans	-97.9	124.6	-175.5	-56.5	86.2	0	0	0	112.6	L229 M338 D341 P367 Y371 W372	L229-H369 HydrophobicContact CD1-CB 3.88Å; L229-H369 HydrophobicContact CD2-CB 3.71Å; L229-H369 HydrophobicContact CG-CB 4.26Å; M338-H369 WeakPolarHBondContact CE-CE1 3.22Å; M338-H369 WeakPolarHBondContact CE-NE2 3.09Å; D341-H369 WeakPolarHBondContact OD2-CB 3.24Å; D341-H369 IonicContact OD2-CE1 3.43Å; D341-H369 IonicContact OD2-CG 3.82Å; D341-H369 PolarHBondContact OD2-N 2.73Å; D341-H369 IonicContact OD2-ND1 4Å; D341-H369 PolarHBondContact OD2-ND1 3Å; P367-H369 VanDerWaalsContact C-N 3.34Å; H369-Y371 PolarHBondContact O-N 3.04Å; H369-W372 PolarHBondContact O-N 2.81Å
370	N	84.8	Confident	86.2	Confident	99 Å²	99	55.7 Å²	55.7	53%	0.529	26%	0.259	S	S	.	.	H	α-helix	trans	-56.8	-26	-177	-72.5	-21.9	0	0	0	114.6	W372 L373 Y374	N370-W372 VanDerWaalsContact C-N 3.25Å; N370-W372 PolarHBondContact O-N 2.93Å; N370-L373 WeakPolarHBondContact O-CA 3.04Å; N370-L373 WeakPolarHBondContact O-CB 3.38Å; N370-L373 PolarHBondContact O-N 2.91Å; N370-Y374 HydrophobicContact CB-CD2 4.34Å; N370-Y374 HydrophobicContact CB-CE2 3.91Å; N370-Y374 WeakPolarHBondContact O-CD2 3.37Å; N370-Y374 PolarHBondContact O-N 3.48Å
371	Y	85.4	Confident	85.3	Confident	78 Å²	78	56.1 Å²	56.1	31%	0.306	26%	0.261	S	S	.	.	H	α-helix	trans	-48.9	-48	176	173.2	-104.6	0	0	0	112.6	L229 F230 H369 L373 Y374 K375 D459	L229-Y371 HydrophobicContact CB-CG 4.46Å; L229-Y371 HydrophobicContact CD2-CD1 3.94Å; L229-Y371 HydrophobicContact CD2-CG 3.76Å; F230-Y371 HydrophobicContact CE1-CD1 4.49Å; F230-Y371 HydrophobicContact CE2-CE1 4.2Å; F230-Y371 AromaticContact CZ-CD1 3.95Å; F230-Y371 HydrophobicContact CZ-CD1 3.95Å; F230-Y371 AromaticContact CZ-CE1 3.67Å; F230-Y371 HydrophobicContact CZ-CE1 3.67Å; H369-Y371 PolarHBondContact O-N 3.04Å; Y371-L373 VanDerWaalsContact C-N 3.27Å; Y371-L373 PolarHBondContact O-N 3.32Å; Y371-Y374 PolarHBondContact O-N 3.39Å; Y371-K375 HydrophobicContact CE1-CD 3.93Å; Y371-K375 WeakPolarHBondContact O-CB 3.01Å; Y371-K375 PolarHBondContact O-N 3.07Å; Y371-D459 WeakPolarHBondContact CE1-OD1 3.19Å; Y371-D459 WeakPolarHBondContact CE1-OD2 3.37Å; Y371-D459 PolarHBondContact OH-OD2 3.02Å
372	W	86.9	Confident	84.1	Confident	4 Å²	4	61.1 Å²	61.1	2%	0.015	29%	0.287	C	S	.	.	H	α-helix	trans	-63.5	-36.9	-179.8	-64.3	116.3	0	0	0	111.9	F230 I345 P367 H369 N370 Y374 K375 Y376 P458 D459	F230-W372 HydrophobicContact CE1-CZ2 4.35Å; F230-W372 HydrophobicContact CZ-CZ2 4.41Å; I345-W372 HydrophobicContact CD1-CB 4.28Å; I345-W372 HydrophobicContact CD1-CD2 3.53Å; I345-W372 HydrophobicContact CD1-CE3 3.36Å; I345-W372 HydrophobicContact CD1-CG 3.97Å; I345-W372 HydrophobicContact CD1-CH2 4.32Å; I345-W372 HydrophobicContact CD1-CZ2 4.48Å; I345-W372 HydrophobicContact CD1-CZ3 3.78Å; P367-W372 HydrophobicContact CB-CB 3.83Å; P367-W372 HydrophobicContact CB-CG 4.12Å; P367-W372 HydrophobicContact CG-CB 3.69Å; P367-W372 HydrophobicContact CG-CG 4.23Å; H369-W372 PolarHBondContact O-N 2.81Å; N370-W372 VanDerWaalsContact C-N 3.25Å; N370-W372 PolarHBondContact O-N 2.93Å; W372-Y374 VanDerWaalsContact C-N 3.34Å; W372-K375 HydrophobicContact CE3-CD 4.24Å; W372-K375 HydrophobicContact CZ3-CD 4.19Å; W372-K375 PolarHBondContact O-N 2.98Å; W372-Y376 HydrophobicContact CE3-CD2 4.37Å; W372-Y376 AromaticContact CE3-CE2 3.9Å; W372-Y376 HydrophobicContact CE3-CE2 3.9Å; W372-Y376 HydrophobicContact CZ3-CE2 4.24Å; W372-Y376 WeakPolarHBondContact O-CD2 3.26Å; W372-Y376 PolarHBondContact O-N 2.97Å; W372-P458 HydrophobicContact CH2-CB 4.27Å; W372-P458 HydrophobicContact CZ2-CB 3.78Å; W372-D459 WeakPolarHBondContact CH2-OD1 3.48Å; W372-D459 WeakPolarHBondContact CZ3-OD1 3Å
373	L	84.3	Confident	82.9	Confident	21 Å²	21	66.9 Å²	66.9	11%	0.11	31%	0.314	C	S	.	.	H	α-helix	trans	-64.3	-40.5	177.4	-50.4	179	0	0	0	111.3	K366 P367 N370 Y371 N377 N378 F381	K366-L373 HydrophobicContact CB-CD2 4.21Å; P367-L373 HydrophobicContact CG-CD2 4.49Å; N370-L373 WeakPolarHBondContact O-CA 3.04Å; N370-L373 WeakPolarHBondContact O-CB 3.38Å; N370-L373 PolarHBondContact O-N 2.91Å; Y371-L373 VanDerWaalsContact C-N 3.27Å; Y371-L373 PolarHBondContact O-N 3.32Å; L373-N377 CarbonylContact O-C 3.15Å; L373-N377 WeakPolarHBondContact O-CA 3.24Å; L373-N377 PolarHBondContact O-N 2.95Å; L373-N378 WeakPolarHBondContact CB-OD1 3.33Å; L373-N378 PolarHBondContact O-N 3.42Å; L373-N378 PolarHBondContact O-OD1 3.2Å; L373-F381 HydrophobicContact CD2-CB 4.4Å; L373-F381 HydrophobicContact CD2-CD2 3.63Å; L373-F381 HydrophobicContact CD2-CE2 3.92Å; L373-F381 HydrophobicContact CD2-CG 3.96Å; L373-F381 HydrophobicContact CD2-CZ 4.49Å
374	Y	85	Confident	81.8	Confident	167 Å²	167	67.6 Å²	67.6	66%	0.655	32%	0.317	S	S	*	.	H	α-helix	trans	-69.2	-46.6	174.1	-65.4	-61.4	0	0	0	112.3	N370 Y371 W372 Y376 N377	N370-Y374 HydrophobicContact CB-CD2 4.34Å; N370-Y374 HydrophobicContact CB-CE2 3.91Å; N370-Y374 WeakPolarHBondContact O-CD2 3.37Å; N370-Y374 PolarHBondContact O-N 3.48Å; Y371-Y374 PolarHBondContact O-N 3.39Å; W372-Y374 VanDerWaalsContact C-N 3.34Å; Y374-Y376 PolarHBondContact O-N 2.97Å; Y374-N377 PolarHBondContact O-N 2.92Å; Y374-N377 VanDerWaalsContact O-N 3.08Å
375	K	85.9	Confident	80.7	Confident	99 Å²	99	69.7 Å²	69.7	43%	0.43	33%	0.329	S	S	.	.	H	α-helix	trans	-58.9	-45.4	-178.4	178.4	171.7	178	171.1	0	112.4	Y371 W372 N377 D459	Y371-K375 HydrophobicContact CE1-CD 3.93Å; Y371-K375 WeakPolarHBondContact O-CB 3.01Å; Y371-K375 PolarHBondContact O-N 3.07Å; W372-K375 HydrophobicContact CE3-CD 4.24Å; W372-K375 HydrophobicContact CZ3-CD 4.19Å; W372-K375 PolarHBondContact O-N 2.98Å; K375-N377 VanDerWaalsContact C-N 3.27Å; K375-N377 PolarHBondContact O-N 3.09Å; K375-D459 IonicContact NZ-OD1 3.25Å; K375-D459 PolarHBondContact NZ-OD1 2.01Å; K375-D459 IonicContact NZ-OD2 2.77Å; K375-D459 PolarHBondContact NZ-OD2 2.79Å
376	Y	83.8	Confident	79.6	Confident	81 Å²	81	71.3 Å²	71.3	32%	0.318	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	5.2	178.7	-75.6	-84.4	0	0	0	113.6	I345 W372 Y374 W380 F381	I345-Y376 HydrophobicContact CD1-CD2 4.4Å; I345-Y376 HydrophobicContact CD1-CE2 3.8Å; I345-Y376 HydrophobicContact CG1-CE2 4.15Å; I345-Y376 HydrophobicContact CG2-CE1 4.26Å; I345-Y376 HydrophobicContact CG2-CE2 3.93Å; W372-Y376 HydrophobicContact CE3-CD2 4.37Å; W372-Y376 AromaticContact CE3-CE2 3.9Å; W372-Y376 HydrophobicContact CE3-CE2 3.9Å; W372-Y376 HydrophobicContact CZ3-CE2 4.24Å; W372-Y376 WeakPolarHBondContact O-CD2 3.26Å; W372-Y376 PolarHBondContact O-N 2.97Å; Y374-Y376 PolarHBondContact O-N 2.97Å; Y376-W380 HydrophobicContact CD1-CD2 4.48Å; Y376-W380 HydrophobicContact CD1-CE3 4.28Å; Y376-W380 HydrophobicContact CD1-CZ3 4.48Å; Y376-W380 HydrophobicContact CG-CE3 4.21Å; Y376-W380 HydrophobicContact CG-CZ3 4.48Å; Y376-W380 WeakPolarHBondContact O-CB 3.31Å; Y376-F381 HydrophobicContact CD2-CE2 4.34Å; Y376-F381 HydrophobicContact CG-CE2 4.33Å
377	N	77.5	Confident	78.6	Confident	95 Å²	95	76.5 Å²	76.5	51%	0.508	36%	0.355	S	S	.	.			trans	60.1	122.6	-168.9	-178.1	-12.5	0	0	0	111.3	L373 Y374 K375 T379 W380	L373-N377 CarbonylContact O-C 3.15Å; L373-N377 WeakPolarHBondContact O-CA 3.24Å; L373-N377 PolarHBondContact O-N 2.95Å; Y374-N377 PolarHBondContact O-N 2.92Å; Y374-N377 VanDerWaalsContact O-N 3.08Å; K375-N377 VanDerWaalsContact C-N 3.27Å; K375-N377 PolarHBondContact O-N 3.09Å; N377-T379 PolarHBondContact ND2-OG1 3.44Å; N377-T379 PolarHBondContact O-N 2.98Å; N377-T379 PolarHBondContact OD1-N 3.34Å; N377-T379 PolarHBondContact OD1-OG1 3.42Å; N377-W380 WeakPolarHBondContact O-CB 3.29Å; N377-W380 PolarHBondContact O-N 2.84Å
378	N	70.1	Confident	78	Confident	72 Å²	72	79.7 Å²	79.7	39%	0.385	37%	0.372	S	S	.	.	H	α-helix	trans	-44.9	-32.3	-179.3	-77.5	-27.2	0	0	0	113.2	L373 W380 F381 N382	L373-N378 WeakPolarHBondContact CB-OD1 3.33Å; L373-N378 PolarHBondContact O-N 3.42Å; L373-N378 PolarHBondContact O-OD1 3.2Å; N378-W380 PolarHBondContact O-N 3.43Å; N378-F381 PolarHBondContact O-N 3.31Å; N378-N382 PolarHBondContact O-N 3.02Å; N378-N382 PolarHBondContact O-ND2 2.74Å; N378-N382 PolarHBondContact O-OD1 2.92Å
379	T	69.9	Low	77.9	Confident	80 Å²	80	75.9 Å²	75.9	49%	0.491	35%	0.352	S	S	.	.	H	α-helix	trans	-61.6	-33.4	176.9	56.9	0	0	0	0	115	N377 N382 Q383	N377-T379 PolarHBondContact ND2-OG1 3.44Å; N377-T379 PolarHBondContact O-N 2.98Å; N377-T379 PolarHBondContact OD1-N 3.34Å; N377-T379 PolarHBondContact OD1-OG1 3.42Å; T379-N382 WeakPolarHBondContact O-CB 3.29Å; T379-N382 PolarHBondContact O-N 3.33Å; T379-Q383 PolarHBondContact O-N 2.69Å
380	W	76.3	Confident	78	Confident	58 Å²	58	76 Å²	76	22%	0.22	35%	0.354	C	S	.	.	H	α-helix	trans	-63.5	-48.8	175	-175.9	76.5	0	0	0	110.7	I345 N348 R349 Y376 N377 N378 N382 Q383 F384	I345-W380 HydrophobicContact CG2-CH2 4.37Å; N348-W380 HydrophobicContact CB-CH2 3.74Å; N348-W380 HydrophobicContact CB-CZ2 4.44Å; N348-W380 HydrophobicContact CB-CZ3 4.29Å; R349-W380 HydrophobicContact CG-CH2 4.1Å; R349-W380 HydrophobicContact CG-CZ2 3.82Å; Y376-W380 HydrophobicContact CD1-CD2 4.48Å; Y376-W380 HydrophobicContact CD1-CE3 4.28Å; Y376-W380 HydrophobicContact CD1-CZ3 4.48Å; Y376-W380 HydrophobicContact CG-CE3 4.21Å; Y376-W380 HydrophobicContact CG-CZ3 4.48Å; Y376-W380 WeakPolarHBondContact O-CB 3.31Å; N377-W380 WeakPolarHBondContact O-CB 3.29Å; N377-W380 PolarHBondContact O-N 2.84Å; N378-W380 PolarHBondContact O-N 3.43Å; W380-N382 VanDerWaalsContact C-N 3.28Å; W380-N382 PolarHBondContact O-N 3.39Å; W380-Q383 VanDerWaalsContact O-CB 3.31Å; W380-Q383 WeakPolarHBondContact O-CB 3.3Å; W380-Q383 PolarHBondContact O-N 3.33Å; W380-Q383 VanDerWaalsContact O-N 3.14Å; W380-F384 HydrophobicContact CD2-CD2 4.44Å; W380-F384 HydrophobicContact CD2-CE2 4.09Å; W380-F384 AromaticContact CE2-CE2 3.66Å; W380-F384 HydrophobicContact CH2-CE2 4.19Å; W380-F384 HydrophobicContact CZ2-CD2 4.47Å; W380-F384 AromaticContact CZ2-CE2 3.7Å; W380-F384 HydrophobicContact CZ2-CE2 3.7Å; W380-F384 HydrophobicContact CZ2-CZ 4.36Å; W380-F384 AromaticContact NE1-CE2 3.98Å; W380-F384 WeakPolarHBondContact O-CD2 3.2Å
381	F	76.2	Confident	78.2	Confident	10 Å²	10	71.2 Å²	71.2	4%	0.044	33%	0.329	C	S	.	.	H	α-helix	trans	-67.8	-26	174.6	-74.1	-73.1	0	0	0	113.2	I345 N348 P367 L373 Y376 N378 Q383 F384 N385	I345-F381 HydrophobicContact CG1-CZ 3.99Å; N348-F381 WeakPolarHBondContact ND2-CD1 3.48Å; N348-F381 WeakPolarHBondContact ND2-CE1 3.02Å; P367-F381 VanDerWaalsContact CD-CZ 3.43Å; P367-F381 HydrophobicContact CG-CE1 3.88Å; P367-F381 HydrophobicContact CG-CE2 4.3Å; P367-F381 HydrophobicContact CG-CZ 3.53Å; L373-F381 HydrophobicContact CD2-CB 4.4Å; L373-F381 HydrophobicContact CD2-CD2 3.63Å; L373-F381 HydrophobicContact CD2-CE2 3.92Å; L373-F381 HydrophobicContact CD2-CG 3.96Å; L373-F381 HydrophobicContact CD2-CZ 4.49Å; Y376-F381 HydrophobicContact CD2-CE2 4.34Å; Y376-F381 HydrophobicContact CG-CE2 4.33Å; N378-F381 PolarHBondContact O-N 3.31Å; F381-Q383 PolarHBondContact O-N 3.29Å; F381-F384 CarbonylContact O-C 3.05Å; F381-F384 VanDerWaalsContact O-CA 3.3Å; F381-F384 WeakPolarHBondContact O-CA 3.42Å; F381-F384 PolarHBondContact O-N 2.63Å; F381-N385 PolarHBondContact O-N 3.46Å
382	N	70.6	Confident	78.2	Confident	105 Å²	105	68.1 Å²	68.1	56%	0.561	32%	0.317	S	S	*	.	H	α-helix	trans	-63.7	-24.3	173.1	-69.7	-21.1	0	0	0	112.7	N378 T379 W380 F384 N385	N378-N382 PolarHBondContact O-N 3.02Å; N378-N382 PolarHBondContact O-ND2 2.74Å; N378-N382 PolarHBondContact O-OD1 2.92Å; T379-N382 WeakPolarHBondContact O-CB 3.29Å; T379-N382 PolarHBondContact O-N 3.33Å; W380-N382 VanDerWaalsContact C-N 3.28Å; W380-N382 PolarHBondContact O-N 3.39Å; N382-F384 VanDerWaalsContact C-N 3.28Å; N382-N385 WeakPolarHBondContact O-CB 3.41Å
383	Q	71.2	Confident	77.9	Confident	125 Å²	125	72.6 Å²	72.6	58%	0.584	34%	0.337	S	S	*	.	H	α-helix	trans	-68.2	-32	169.6	-58.5	179.2	-8.2	0	0	111.3	T379 W380 F381 N385 N388	T379-Q383 PolarHBondContact O-N 2.69Å; W380-Q383 VanDerWaalsContact O-CB 3.31Å; W380-Q383 WeakPolarHBondContact O-CB 3.3Å; W380-Q383 PolarHBondContact O-N 3.33Å; W380-Q383 VanDerWaalsContact O-N 3.14Å; F381-Q383 PolarHBondContact O-N 3.29Å; Q383-N385 VanDerWaalsContact C-N 3.34Å; Q383-N385 PolarHBondContact O-N 2.8Å; Q383-N388 PolarHBondContact O-ND2 3.11Å
384	F	71.1	Confident	77.1	Confident	36 Å²	36	73.2 Å²	73.2	16%	0.158	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	50.9	174.4	-53.9	-75.9	0	0	0	110.5	N348 N351 Y365 W380 F381 N382	N348-F384 HydrophobicContact CB-CD1 4.16Å; N348-F384 HydrophobicContact CB-CD2 4.04Å; N348-F384 HydrophobicContact CB-CE1 4.3Å; N348-F384 HydrophobicContact CB-CE2 4.18Å; N348-F384 HydrophobicContact CB-CG 4.03Å; N348-F384 HydrophobicContact CB-CZ 4.31Å; N348-F384 WeakPolarHBondContact O-CE1 3.36Å; N348-F384 VanDerWaalsContact O-CZ 3.22Å; N348-F384 WeakPolarHBondContact O-CZ 3.28Å; N351-F384 HydrophobicContact CB-CD1 4.33Å; N351-F384 HydrophobicContact CB-CE1 4.21Å; Y365-F384 WeakPolarHBondContact CD2-O 3.42Å; W380-F384 HydrophobicContact CD2-CD2 4.44Å; W380-F384 HydrophobicContact CD2-CE2 4.09Å; W380-F384 AromaticContact CE2-CE2 3.66Å; W380-F384 HydrophobicContact CH2-CE2 4.19Å; W380-F384 HydrophobicContact CZ2-CD2 4.47Å; W380-F384 AromaticContact CZ2-CE2 3.7Å; W380-F384 HydrophobicContact CZ2-CE2 3.7Å; W380-F384 HydrophobicContact CZ2-CZ 4.36Å; W380-F384 AromaticContact NE1-CE2 3.98Å; W380-F384 WeakPolarHBondContact O-CD2 3.2Å; F381-F384 CarbonylContact O-C 3.05Å; F381-F384 VanDerWaalsContact O-CA 3.3Å; F381-F384 WeakPolarHBondContact O-CA 3.42Å; F381-F384 PolarHBondContact O-N 2.63Å; N382-F384 VanDerWaalsContact C-N 3.28Å
385	N	68.7	Low	76	Confident	60 Å²	60	68.2 Å²	68.2	32%	0.321	33%	0.327	S	S	.	.			trans	-71.7	167.1	178.3	64.8	29.6	0	0	0	112.1	F381 N382 Q383 R387 N388 S389	F381-N385 PolarHBondContact O-N 3.46Å; N382-N385 WeakPolarHBondContact O-CB 3.41Å; Q383-N385 VanDerWaalsContact C-N 3.34Å; Q383-N385 PolarHBondContact O-N 2.8Å; N385-R387 PolarHBondContact O-N 2.89Å; N385-R387 VanDerWaalsContact O-N 3.09Å; N385-R387 WeakPolarHBondContact OD1-CA 3.49Å; N385-R387 WeakPolarHBondContact OD1-CB 3.29Å; N385-R387 PolarHBondContact OD1-N 3.43Å; N385-R387 VanDerWaalsContact OD1-N 3.13Å; N385-N388 PolarHBondContact O-N 3.22Å; N385-N388 PolarHBondContact OD1-N 2.78Å; N385-S389 PolarHBondContact O-N 3.23Å
386	E	66.6	Low	74.4	Confident	78 Å²	78	70 Å²	70	36%	0.364	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-33.9	176.4	-164.5	174.7	-177.8	0	0	112.8	Y365 N388 S389 Q392	Y365-E386 HydrophobicContact CE1-CB 4.37Å; Y365-E386 HydrophobicContact CE1-CG 4.31Å; E386-N388 VanDerWaalsContact C-N 3.3Å; E386-N388 PolarHBondContact O-N 3.41Å; E386-S389 PolarHBondContact O-N 2.96Å; E386-Q392 HydrophobicContact CB-CB 4.46Å; E386-Q392 HydrophobicContact CG-CB 3.48Å; E386-Q392 VanDerWaalsContact CG-CB 3.48Å; E386-Q392 HydrophobicContact CG-CG 3.89Å; E386-Q392 WeakPolarHBondContact O-CB 3.49Å
387	R	68.8	Low	72.9	Confident	201 Å²	201	72.3 Å²	72.3	76%	0.758	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-24.1	177.5	-57.3	-178	-178.2	179.5	0.5	113.1	N385 K393	N385-R387 PolarHBondContact O-N 2.89Å; N385-R387 VanDerWaalsContact O-N 3.09Å; N385-R387 WeakPolarHBondContact OD1-CA 3.49Å; N385-R387 WeakPolarHBondContact OD1-CB 3.29Å; N385-R387 PolarHBondContact OD1-N 3.43Å; N385-R387 VanDerWaalsContact OD1-N 3.13Å; R387-K393 WeakPolarHBondContact O-CD 3.43Å; R387-K393 WeakPolarHBondContact O-CE 3.46Å; R387-K393 PolarHBondContact O-NZ 3.49Å
388	N	77.8	Confident	71.3	Confident	73 Å²	73	73.6 Å²	73.6	39%	0.39	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-17.2	179.7	-72.3	-15.2	0	0	0	113	M355 Q383 N385 E386	M355-N388 VanDerWaalsContact SD-O 3.37Å; Q383-N388 PolarHBondContact O-ND2 3.11Å; N385-N388 PolarHBondContact O-N 3.22Å; N385-N388 PolarHBondContact OD1-N 2.78Å; E386-N388 VanDerWaalsContact C-N 3.3Å; E386-N388 PolarHBondContact O-N 3.41Å
389	S	87.6	Confident	70.2	Confident	5 Å²	5	77.6 Å²	77.6	4%	0.035	38%	0.383	C	S	.	.			trans	-79.5	119.8	173.6	178.8	0	0	0	0	111	N385 E386 C391 Q392 K393	N385-S389 PolarHBondContact O-N 3.23Å; E386-S389 PolarHBondContact O-N 2.96Å; S389-C391 PolarHBondContact O-N 2.75Å; S389-C391 PolarHBondContact OG-N 3.06Å; S389-Q392 PolarHBondContact O-N 2.81Å; S389-Q392 PolarHBondContact OG-N 3.37Å; S389-K393 PolarHBondContact O-N 2.89Å
390	L	88.5	Confident	69.1	Low	48 Å²	48	80.4 Å²	80.4	25%	0.251	39%	0.394	S	S	.	.	H	α-helix	trans	-62.7	-30.9	173.7	-68.1	178.7	0	0	0	111.8	M355 S359 S361 K393 S394 N408	M355-L390 HydrophobicContact CB-CD1 4.04Å; M355-L390 HydrophobicContact CG-CD1 3.86Å; M355-L390 HydrophobicContact CG-CG 4.15Å; M355-L390 HydrophobicContact SD-CD1 4.28Å; M355-L390 HydrophobicContact SD-CG 4.01Å; S359-L390 VanDerWaalsContact C-CD1 3.45Å; S361-L390 PolarHBondContact OG-N 3.21Å; L390-K393 HydrophobicContact CD2-CD 4.15Å; L390-S394 PolarHBondContact O-N 3.41Å; L390-N408 HydrophobicContact CB-CB 4.35Å
391	C	90.2	Very high	67.6	Low	0 Å²	0	84.7 Å²	84.7	0%	0	42%	0.422	C	S	.	.	H	α-helix	trans	-61.4	-50.3	173.8	174.5	0	0	0	0	111	S389 S394 N408 C409	S389-C391 PolarHBondContact O-N 2.75Å; S389-C391 PolarHBondContact OG-N 3.06Å; C391-S394 PolarHBondContact O-N 2.85Å; C391-S394 PolarHBondContact O-OG 2.94Å; C391-N408 WeakPolarHBondContact CA-O 3.5Å; C391-N408 WeakPolarHBondContact CB-O 3.32Å; C391-N408 PolarHBondContact N-O 3.06Å; C391-C409 WeakPolarHBondContact CA-SG 3.29Å; C391-C409 HydrophobicContact CB-CB 3.84Å; C391-C409 WeakPolarHBondContact CB-SG 3.35Å; C391-C409 WeakPolarHBondContact SG-CB 3.2Å; C391-C409 CovalentContact SG-SG 2.03Å; C391-C409 PolarHBondContact SG-SG 2.77Å
392	Q	86.1	Confident	66.5	Low	13 Å²	13	87.6 Å²	87.6	6%	0.061	44%	0.44	C	S	.	.	H	α-helix	trans	-71.7	-34.4	-176.9	-54.7	-58.1	-44	0	0	112.5	F363 Y365 E386 S389 S394 I395	F363-Q392 PolarHBondContact O-NE2 2.78Å; Y365-Q392 HydrophobicContact CD1-CG 3.63Å; Y365-Q392 HydrophobicContact CE1-CG 4.2Å; Y365-Q392 HydrophobicContact CG-CG 4.43Å; E386-Q392 HydrophobicContact CB-CB 4.46Å; E386-Q392 HydrophobicContact CG-CB 3.48Å; E386-Q392 VanDerWaalsContact CG-CB 3.48Å; E386-Q392 HydrophobicContact CG-CG 3.89Å; E386-Q392 WeakPolarHBondContact O-CB 3.49Å; S389-Q392 PolarHBondContact O-N 2.81Å; S389-Q392 PolarHBondContact OG-N 3.37Å; Q392-S394 PolarHBondContact O-N 2.96Å; Q392-I395 WeakPolarHBondContact O-CB 3.35Å; Q392-I395 PolarHBondContact O-N 3.09Å; Q392-I395 VanDerWaalsContact OE1-CD1 3.28Å
393	K	79.7	Confident	65.8	Low	98 Å²	98	90.2 Å²	90.2	43%	0.426	45%	0.454	S	S	.	.	H	α-helix	trans	-54.8	-36	172.6	-83.1	167.5	153	145.8	0	113.5	R387 S389 L390 I395 H396	R387-K393 WeakPolarHBondContact O-CD 3.43Å; R387-K393 WeakPolarHBondContact O-CE 3.46Å; R387-K393 PolarHBondContact O-NZ 3.49Å; S389-K393 PolarHBondContact O-N 2.89Å; L390-K393 HydrophobicContact CD2-CD 4.15Å; K393-I395 PolarHBondContact O-N 2.91Å; K393-H396 PolarHBondContact O-N 3.15Å
394	S	67.7	Low	65.6	Low	34 Å²	34	86.1 Å²	86.1	24%	0.238	44%	0.435	C	S	.	.	H	α-helix	trans	-66.5	-23.5	178.9	67.2	0	0	0	0	114	L390 C391 Q392 H396 N397	L390-S394 PolarHBondContact O-N 3.41Å; C391-S394 PolarHBondContact O-N 2.85Å; C391-S394 PolarHBondContact O-OG 2.94Å; Q392-S394 PolarHBondContact O-N 2.96Å; S394-H396 PolarHBondContact O-N 3.08Å; S394-N397 PolarHBondContact O-N 3.24Å
395	I	62.1	Low	66.1	Low	62 Å²	62	86 Å²	86	32%	0.318	44%	0.444	S	S	.	.	H	α-helix	trans	-65.5	-27.3	179.1	-58.4	174.2	0	0	0	111.1	Q392 K393	Q392-I395 WeakPolarHBondContact O-CB 3.35Å; Q392-I395 PolarHBondContact O-N 3.09Å; Q392-I395 VanDerWaalsContact OE1-CD1 3.28Å; K393-I395 PolarHBondContact O-N 2.91Å
396	H	52.3	Low	67.2	Low	135 Å²	135	86.4 Å²	86.4	63%	0.625	44%	0.441	S	S	*	.	H	α-helix	trans	-89.5	-17.5	-178.7	-67.1	-52.7	0	0	0	114.4	K393 S394 N398	K393-H396 PolarHBondContact O-N 3.15Å; S394-H396 PolarHBondContact O-N 3.08Å; H396-N398 PolarHBondContact O-N 2.84Å
397	N	51.5	Low	68.3	Low	130 Å²	130	84.1 Å²	84.1	70%	0.695	43%	0.433	S	S	*	.			trans	-96.5	68.5	178.9	-77.7	-9.3	0	0	0	110.7	S394 N399	S394-N397 PolarHBondContact O-N 3.24Å; N397-N399 PolarHBondContact O-N 2.97Å
398	N	45.1	Very low	69.5	Low	122 Å²	122	77.1 Å²	77.1	65%	0.652	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	23.3	-175	-90.3	-18.2	0	0	0	116.6	H396	H396-N398 PolarHBondContact O-N 2.84Å
399	N	46.7	Very low	70.3	Confident	157 Å²	157	73.7 Å²	73.7	84%	0.84	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-15.4	176.3	-79.5	-8.6	0	0	0	114.2	N397 N401	N397-N399 PolarHBondContact O-N 2.97Å; N399-N401 VanDerWaalsContact C-N 3.31Å; N399-N401 PolarHBondContact O-N 3.19Å; N399-N401 VanDerWaalsContact O-N 3.11Å
400	D	47.1	Very low	70.8	Confident	138 Å²	138	73.4 Å²	73.4	74%	0.738	39%	0.39	S	S	*	.			trans	-87.7	75.8	171.7	-77.5	-22.1	0	0	0	109.6	T402	D400-T402 HydrophobicContact CB-CG2 4.31Å; D400-T402 PolarHBondContact O-N 2.64Å
401	N	44	Very low	71.2	Confident	148 Å²	148	72.6 Å²	72.6	79%	0.791	39%	0.386	S	S	*	.			trans	-62.7	44.7	160.8	-87.4	-21.1	0	0	0	111.4	N399 N403	N399-N401 VanDerWaalsContact C-N 3.31Å; N399-N401 PolarHBondContact O-N 3.19Å; N399-N401 VanDerWaalsContact O-N 3.11Å; N401-N403 PolarHBondContact O-N 3.43Å
402	T	52.4	Low	71.6	Confident	72 Å²	72	72.9 Å²	72.9	44%	0.442	39%	0.387	S	S	.	.			trans	-77.5	110.4	167.9	69.9	0	0	0	0	105.5	D400 K404	D400-T402 HydrophobicContact CB-CG2 4.31Å; D400-T402 PolarHBondContact O-N 2.64Å; T402-K404 PolarHBondContact O-N 2.8Å
403	N	56.7	Low	72	Confident	160 Å²	160	73.3 Å²	73.3	86%	0.856	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	24.7	172.4	-70	-19.8	0	0	0	113.3	N401	N401-N403 PolarHBondContact O-N 3.43Å
404	K	66.1	Low	72.7	Confident	38 Å²	38	70.8 Å²	70.8	17%	0.165	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-2.8	-163	-66.3	-179.4	178.6	162.5	0	113.9	T402 V437 T438 D497 H500	T402-K404 PolarHBondContact O-N 2.8Å; K404-V437 CarbonylContact O-C 3.56Å; K404-V437 WeakPolarHBondContact O-CA 3.46Å; K404-V437 VanDerWaalsContact O-CB 3.23Å; K404-V437 WeakPolarHBondContact O-CB 3.29Å; K404-T438 PolarHBondContact O-N 2.9Å; K404-D497 IonicContact NZ-OD1 3.89Å; K404-D497 IonicContact NZ-OD2 3.78Å; K404-D497 PolarHBondContact NZ-OD2 3.1Å; K404-H500 PolarHBondContact NZ-O 3.09Å
405	G	83.1	Confident	74	Confident	34 Å²	34	69.2 Å²	69.2	35%	0.351	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	105.2	-155.5	175.3	0	0	0	0	0	114.4	P407 Q436	G405-P407 WeakPolarHBondContact O-CD 3.48Å; G405-Q436 CarbonylContact C-O 3.59Å
406	R	90.4	Very high	75.5	Confident	68 Å²	68	66.6 Å²	66.6	26%	0.257	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	88.2	-174	-55.9	-171.1	-63.9	-175.3	-1.3	111.3	N408 C409 Q436	R406-N408 PolarHBondContact O-N 3.43Å; R406-C409 HydrophobicContact CB-CB 3.82Å; R406-C409 WeakPolarHBondContact CB-SG 3.35Å; R406-C409 WeakPolarHBondContact O-CB 3.36Å; R406-C409 PolarHBondContact O-N 3.01Å; R406-Q436 PolarHBondContact N-O 2.83Å
407	P	90.9	Very high	77.5	Confident	30 Å²	30	60.5 Å²	60.5	20%	0.195	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	-22.5	-175	24.9	-34.6	0	0	0	114.5	G405 C409 R435 V437 F495	G405-P407 WeakPolarHBondContact O-CD 3.48Å; P407-C409 VanDerWaalsContact C-N 3.28Å; P407-R435 WeakPolarHBondContact O-CD 3.42Å; P407-R435 PolarHBondContact O-NH1 3.18Å; P407-V437 HydrophobicContact CB-CG1 3.89Å; P407-F495 HydrophobicContact CB-CB 3.95Å; P407-F495 HydrophobicContact CB-CD1 3.51Å; P407-F495 HydrophobicContact CB-CD2 3.61Å; P407-F495 HydrophobicContact CB-CE1 3.84Å; P407-F495 HydrophobicContact CB-CE2 3.94Å; P407-F495 HydrophobicContact CB-CG 3.38Å; P407-F495 HydrophobicContact CB-CZ 4.05Å; P407-F495 HydrophobicContact CG-CD1 4.16Å; P407-F495 HydrophobicContact CG-CE1 4.34Å; P407-F495 HydrophobicContact CG-CG 4.46Å
408	N	93.2	Very high	79.6	Confident	55 Å²	55	54.6 Å²	54.6	29%	0.294	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	1.1	177.2	-60.3	-21	0	0	0	112.8	S359 A360 S361 L390 C391 R406	S359-N408 PolarHBondContact O-OD1 3.39Å; A360-N408 WeakPolarHBondContact CA-O 3.38Å; A360-N408 WeakPolarHBondContact CB-O 3.47Å; S361-N408 PolarHBondContact N-O 3.37Å; L390-N408 HydrophobicContact CB-CB 4.35Å; C391-N408 WeakPolarHBondContact CA-O 3.5Å; C391-N408 WeakPolarHBondContact CB-O 3.32Å; C391-N408 PolarHBondContact N-O 3.06Å; R406-N408 PolarHBondContact O-N 3.43Å
409	C	95.3	Very high	82	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.8	177.6	-60.8	0	0	0	0	110.5	F363 C391 R406 P407 R435 Q436	F363-C409 HydrophobicContact CB-CB 4.3Å; C391-C409 WeakPolarHBondContact CA-SG 3.29Å; C391-C409 HydrophobicContact CB-CB 3.84Å; C391-C409 WeakPolarHBondContact CB-SG 3.35Å; C391-C409 WeakPolarHBondContact SG-CB 3.2Å; C391-C409 CovalentContact SG-SG 2.03Å; C391-C409 PolarHBondContact SG-SG 2.77Å; R406-C409 HydrophobicContact CB-CB 3.82Å; R406-C409 WeakPolarHBondContact CB-SG 3.35Å; R406-C409 WeakPolarHBondContact O-CB 3.36Å; R406-C409 PolarHBondContact O-N 3.01Å; P407-C409 VanDerWaalsContact C-N 3.28Å; C409-R435 WeakPolarHBondContact O-CA 3.49Å; C409-Q436 HydrophobicContact CB-CB 4.04Å; C409-Q436 PolarHBondContact O-N 3.49Å
410	L	97.5	Very high	83.9	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.9	173.6	-57.2	178.3	0	0	0	110.4	I354 A360 S361 Y362 F363 L433 C434 R435 V445	I354-L410 HydrophobicContact CG2-CD1 3.65Å; A360-L410 HydrophobicContact CB-CD1 4.14Å; A360-L410 HydrophobicContact CB-CD2 3.89Å; A360-L410 HydrophobicContact CB-CG 3.77Å; S361-L410 PolarHBondContact O-N 2.93Å; Y362-L410 VanDerWaalsContact CD2-O 3.29Å; Y362-L410 WeakPolarHBondContact CD2-O 2.94Å; F363-L410 WeakPolarHBondContact CB-O 3.21Å; F363-L410 WeakPolarHBondContact CD1-O 3.29Å; F363-L410 PolarHBondContact N-O 2.78Å; L410-L433 HydrophobicContact CB-CB 4.35Å; L410-L433 HydrophobicContact CB-CD1 4.35Å; L410-L433 HydrophobicContact CD1-CD1 4.13Å; L410-C434 CarbonylContact C-O 3.48Å; L410-C434 VanDerWaalsContact CA-O 3.25Å; L410-C434 WeakPolarHBondContact CA-O 3.45Å; L410-R435 HydrophobicContact CD2-CG 4.41Å; L410-V445 HydrophobicContact CD1-CG2 4.15Å; L410-V445 HydrophobicContact CD2-CG1 3.82Å; L410-V445 HydrophobicContact CD2-CG2 4.04Å
411	I	97.2	Very high	85.7	Confident	30 Å²	30	38.9 Å²	38.9	15%	0.154	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	148.7	175.9	54.5	165	0	0	0	110.5	F363 L433 C434 Q436 F440	F363-I411 HydrophobicContact CB-CG2 4Å; F363-I411 HydrophobicContact CD1-CG2 3.96Å; F363-I411 HydrophobicContact CG-CG2 3.91Å; I411-L433 CarbonylContact O-C 3.55Å; I411-L433 WeakPolarHBondContact O-CA 3.34Å; I411-C434 HydrophobicContact CG1-CB 4.41Å; I411-C434 WeakPolarHBondContact CG1-O 3.44Å; I411-C434 PolarHBondContact N-O 3.46Å; I411-C434 PolarHBondContact O-N 2.98Å; I411-Q436 HydrophobicContact CD1-CB 4.45Å; I411-Q436 HydrophobicContact CD1-CG 4.31Å; I411-Q436 HydrophobicContact CG1-CB 4.3Å; I411-Q436 HydrophobicContact CG2-CB 3.93Å; I411-Q436 HydrophobicContact CG2-CG 3.96Å; I411-F440 HydrophobicContact CD1-CB 4.04Å; I411-F440 HydrophobicContact CD1-CD1 4.5Å; I411-F440 HydrophobicContact CD1-CD2 4.15Å; I411-F440 HydrophobicContact CD1-CG 3.97Å
412	P	97.6	Very high	87.7	Confident	6 Å²	6	40 Å²	40	4%	0.039	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	147.3	176.9	34.2	-31.5	0	0	0	111.8	Y336 L340 L343 Y362 F363 I431 R432 L433	Y336-P412 PolarHBondContact OH-O 3.49Å; L340-P412 HydrophobicContact CD2-CG 3.37Å; L343-P412 HydrophobicContact CD1-CB 3.62Å; L343-P412 HydrophobicContact CD1-CG 3.96Å; Y362-P412 HydrophobicContact CE2-CB 4.43Å; Y362-P412 HydrophobicContact CE2-CG 4.11Å; F363-P412 HydrophobicContact CE1-CG 4.34Å; P412-I431 HydrophobicContact CB-CG2 3.53Å; P412-R432 WeakPolarHBondContact CA-O 3.49Å; P412-L433 HydrophobicContact CB-CD2 4.08Å
413	I	95.5	Very high	89.5	Confident	23 Å²	23	36.9 Å²	36.9	12%	0.118	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	146.2	164.1	60.9	174.5	0	0	0	109	I431 R432 C434 F440 I441 F588	I413-I431 CarbonylContact O-C 3.48Å; I413-I431 VanDerWaalsContact O-CA 3.29Å; I413-I431 WeakPolarHBondContact O-CA 3.44Å; I413-I431 WeakPolarHBondContact O-CG2 3.49Å; I413-R432 HydrophobicContact CD1-CG 3.94Å; I413-R432 VanDerWaalsContact CD1-NH2 3.3Å; I413-R432 HydrophobicContact CG1-CG 3.49Å; I413-R432 VanDerWaalsContact CG1-CG 3.49Å; I413-R432 PolarHBondContact N-O 3.5Å; I413-R432 PolarHBondContact O-N 3.12Å; I413-C434 WeakPolarHBondContact CD1-SG 3.36Å; I413-F440 HydrophobicContact CG2-CD2 4.23Å; I413-F440 HydrophobicContact CG2-CE2 3.88Å; I413-I441 HydrophobicContact CD1-CG1 3.99Å; I413-F588 HydrophobicContact CG1-CZ 4.3Å; I413-F588 WeakPolarHBondContact O-CE2 3.41Å
414	F	95.1	Very high	91.2	Very high	44 Å²	44	32.7 Å²	32.7	19%	0.193	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	154.1	-176.2	69	-88.4	0	0	0	111.9	L331 Y336 W430 I431 F588 F599	L331-F414 HydrophobicContact CD2-CD1 3.97Å; L331-F414 HydrophobicContact CD2-CE1 3.71Å; L331-F414 HydrophobicContact CD2-CE2 4.35Å; L331-F414 HydrophobicContact CD2-CG 4.39Å; L331-F414 HydrophobicContact CD2-CZ 3.91Å; Y336-F414 HydrophobicContact CE2-CD1 4.36Å; F414-W430 CarbonylContact C-O 3.53Å; F414-W430 VanDerWaalsContact CA-O 3.3Å; F414-W430 WeakPolarHBondContact CA-O 3.35Å; F414-I431 HydrophobicContact CB-CG1 4.12Å; F414-F588 VanDerWaalsContact C-CE2 3.47Å; F414-F599 HydrophobicContact CE2-CE1 4.12Å; F414-F599 HydrophobicContact CE2-CZ 4.2Å; F414-F599 AromaticContact CZ-CE1 3.83Å; F414-F599 HydrophobicContact CZ-CE1 3.83Å; F414-F599 HydrophobicContact CZ-CZ 4.26Å
415	A	94.2	Very high	92.6	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.008	20%	0.196	C	C	.	.			trans	-93.8	139.3	169.4	0	0	0	0	0	110.1	W430 F588 M592	A415-W430 HydrophobicContact CB-CB 4.28Å; A415-W430 PolarHBondContact N-O 2.93Å; A415-F588 HydrophobicContact CB-CD1 4.33Å; A415-F588 HydrophobicContact CB-CD2 3.97Å; A415-F588 HydrophobicContact CB-CE1 4.08Å; A415-F588 HydrophobicContact CB-CE2 3.73Å; A415-F588 HydrophobicContact CB-CG 4.27Å; A415-F588 HydrophobicContact CB-CZ 3.79Å; A415-F588 VanDerWaalsContact N-CE2 3.27Å; A415-M592 HydrophobicContact CB-CB 4.06Å; A415-M592 HydrophobicContact CB-CG 4.26Å
416	S	93.7	Very high	93.2	Very high	7 Å²	7	39.5 Å²	39.5	5%	0.049	20%	0.198	C	C	.	.	S	Bend	trans	-88.7	152.3	163.2	-67.5	0	0	0	0	109.9	A591 M592 T593 F599	S416-A591 VanDerWaalsContact O-O 3.11Å; S416-M592 CarbonylContact O-C 3.57Å; S416-M592 VanDerWaalsContact O-CA 3.27Å; S416-M592 WeakPolarHBondContact O-CA 3.47Å; S416-T593 CarbonylContact C-O 3.4Å; S416-T593 PolarHBondContact O-N 3.49Å; S416-F599 WeakPolarHBondContact OG-CZ 3.29Å
417	P	95	Very high	93.5	Very high	8 Å²	8	36.3 Å²	36.3	5%	0.052	19%	0.186	C	C	.	.			cis	-83.2	179.1	2.7	38.7	-40.4	0	0	0	112.2	T420 A591 T593 L903	P417-T420 HydrophobicContact CG-CG2 4.14Å; P417-A591 WeakPolarHBondContact CD-O 3.48Å; P417-T593 WeakPolarHBondContact CD-O 3.23Å; P417-L903 HydrophobicContact CB-CD1 4.21Å; P417-L903 HydrophobicContact CB-CG 3.9Å; P417-L903 HydrophobicContact CG-CD1 3.66Å; P417-L903 HydrophobicContact CG-CG 3.79Å
418	M	94.1	Very high	93.7	Very high	6 Å²	6	38.5 Å²	38.5	3%	0.03	19%	0.19	C	C	.	.	S	Bend	trans	-93.8	-16.6	172.6	-65.8	176.1	-100.5	0	0	112.9	L331 R427 R428 I429 V901	L331-M418 HydrophobicContact CB-CE 4.08Å; L331-M418 HydrophobicContact CB-SD 4.02Å; M418-R427 CarbonylContact O-C 3.56Å; M418-R427 VanDerWaalsContact O-CA 3.27Å; M418-R427 WeakPolarHBondContact O-CA 3.03Å; M418-R427 VanDerWaalsContact SD-CZ 3.59Å; M418-R427 PolarHBondContact SD-NH2 2.94Å; M418-R428 PolarHBondContact O-N 3.13Å; M418-R428 VanDerWaalsContact O-O 3.08Å; M418-I429 HydrophobicContact CB-CG2 4.14Å; M418-I429 HydrophobicContact CG-CG2 3.71Å; M418-V901 HydrophobicContact CB-CG1 4.15Å; M418-V901 HydrophobicContact CE-CB 4.31Å; M418-V901 HydrophobicContact CE-CG1 3.85Å; M418-V901 HydrophobicContact CE-CG2 3.8Å; M418-V901 PolarHBondContact N-O 2.99Å
419	I	95.2	Very high	93.8	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-128.7	120.6	178.5	-59.3	170.1	0	0	0	107.7	Y327 R426 R427 V901 D902	Y327-I419 HydrophobicContact CD2-CD1 3.42Å; Y327-I419 VanDerWaalsContact CD2-CD1 3.42Å; Y327-I419 HydrophobicContact CE2-CD1 4.14Å; Y327-I419 HydrophobicContact CG-CD1 4.28Å; Y327-I419 WeakPolarHBondContact O-CD1 3.35Å; I419-R426 WeakPolarHBondContact CG1-O 3.43Å; I419-R427 HydrophobicContact CG1-CG 4.45Å; I419-V901 HydrophobicContact CD1-CG1 4.39Å; I419-V901 PolarHBondContact N-O 3Å; I419-D902 HydrophobicContact CB-CB 4.04Å; I419-D902 HydrophobicContact CD1-CB 4.13Å; I419-D902 HydrophobicContact CG2-CB 4.34Å
420	T	87.2	Confident	93.9	Very high	32 Å²	32	37.5 Å²	37.5	20%	0.196	18%	0.182	C	C	.	.			trans	-108.5	168	-179.3	67.4	0	0	0	0	110.8	P417 E422 A423	P417-T420 HydrophobicContact CG-CG2 4.14Å; T420-E422 PolarHBondContact O-N 2.89Å; T420-E422 PolarHBondContact OG1-N 2.85Å; T420-A423 CarbonylContact O-C 3.45Å; T420-A423 PolarHBondContact O-N 2.83Å
421	T	84.7	Confident	93.9	Very high	55 Å²	55	37.7 Å²	37.7	34%	0.337	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-29.1	174	-48.5	0	0	0	0	112.5	A423 P424	T421-A423 VanDerWaalsContact C-N 3.33Å; T421-P424 WeakPolarHBondContact O-CD 3.36Å
422	E	86.3	Confident	93.9	Very high	171 Å²	171	36.3 Å²	36.3	80%	0.799	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-25.5	-178.9	-62.9	155.9	-177.6	0	0	112.7	T420	T420-E422 PolarHBondContact O-N 2.89Å; T420-E422 PolarHBondContact OG1-N 2.85Å
423	A	91.4	Very high	93.9	Very high	7 Å²	7	36 Å²	36	6%	0.058	17%	0.174	C	C	.	.	S	Bend	trans	-137.9	69.2	-178.9	0	0	0	0	0	111.3	T420 T421 E425 R426 R428	T420-A423 CarbonylContact O-C 3.45Å; T420-A423 PolarHBondContact O-N 2.83Å; T421-A423 VanDerWaalsContact C-N 3.33Å; A423-E425 PolarHBondContact O-N 2.84Å; A423-R426 HydrophobicContact CB-CB 3.92Å; A423-R426 HydrophobicContact CB-CG 4.4Å; A423-R426 PolarHBondContact O-N 2.71Å; A423-R426 VanDerWaalsContact O-N 3.17Å; A423-R428 HydrophobicContact CB-CG 4.36Å
424	P	92.4	Very high	94	Very high	71 Å²	71	34.9 Å²	34.9	46%	0.461	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	139.7	178.5	-23	34.2	0	0	0	111.4	T421 R426	T421-P424 WeakPolarHBondContact O-CD 3.36Å; P424-R426 PolarHBondContact O-N 3.33Å
425	E	94.3	Very high	94	Very high	112 Å²	112	33 Å²	33	52%	0.523	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	1.2	179.8	-44.2	-162.1	138.5	0	0	115.8	Y327 A423	Y327-E425 HydrophobicContact CD1-CB 4Å; Y327-E425 HydrophobicContact CE1-CB 3.68Å; Y327-E425 HydrophobicContact CE1-CG 3.8Å; Y327-E425 HydrophobicContact CE2-CB 4.31Å; Y327-E425 HydrophobicContact CE2-CG 4.27Å; Y327-E425 HydrophobicContact CG-CB 4.43Å; Y327-E425 PolarHBondContact OH-OE1 2.66Å; A423-E425 PolarHBondContact O-N 2.84Å
426	R	96.4	Very high	94	Very high	103 Å²	103	34.2 Å²	34.2	39%	0.389	17%	0.166	S	C	.	.			trans	-101.8	131	175.7	-60.6	-65.6	-63.2	179.6	-4.8	109.9	I419 A423 P424 R428 D452 T454	I419-R426 WeakPolarHBondContact CG1-O 3.43Å; A423-R426 HydrophobicContact CB-CB 3.92Å; A423-R426 HydrophobicContact CB-CG 4.4Å; A423-R426 PolarHBondContact O-N 2.71Å; A423-R426 VanDerWaalsContact O-N 3.17Å; P424-R426 PolarHBondContact O-N 3.33Å; R426-R428 HydrophobicContact CB-CG 4.31Å; R426-R428 PolarHBondContact O-N 3.25Å; R426-D452 IonicContact CZ-OD1 3.7Å; R426-D452 IonicContact CZ-OD2 2.73Å; R426-D452 IonicContact NE-OD1 3.07Å; R426-D452 IonicContact NE-OD2 3.52Å; R426-D452 PolarHBondContact NE-OD2 2.97Å; R426-D452 IonicContact NH2-OD1 3.8Å; R426-D452 PolarHBondContact NH2-OD1 2.81Å; R426-D452 IonicContact NH2-OD2 3.46Å; R426-D452 PolarHBondContact NH2-OD2 2.85Å; R426-T454 WeakPolarHBondContact CA-OG1 3.21Å; R426-T454 VanDerWaalsContact CZ-CB 3.46Å; R426-T454 VanDerWaalsContact CZ-OG1 3.29Å; R426-T454 PolarHBondContact NE-OG1 2.78Å
427	R	96.6	Very high	93.8	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	17%	0.165	C	C	.	.			trans	-86	90.9	176.5	-63	174.2	64.6	78.3	-9.5	109.2	Y327 R329 E335 M418 I419 Q453 T454	Y327-R427 PolarHBondContact O-NH1 3.45Å; R329-R427 PolarHBondContact O-NH1 2.81Å; R329-R427 PolarHBondContact O-NH2 2.99Å; E335-R427 VanDerWaalsContact CD-NH2 3.34Å; E335-R427 IonicContact OE1-CZ 2.73Å; E335-R427 IonicContact OE1-NE 2.64Å; E335-R427 PolarHBondContact OE1-NE 2.75Å; E335-R427 IonicContact OE1-NH2 3.73Å; E335-R427 PolarHBondContact OE1-NH2 3.23Å; E335-R427 IonicContact OE2-NH2 2.91Å; E335-R427 PolarHBondContact OE2-NH2 3.13Å; E335-R427 VanDerWaalsContact OE2-NH2 3.16Å; M418-R427 CarbonylContact O-C 3.56Å; M418-R427 VanDerWaalsContact O-CA 3.27Å; M418-R427 WeakPolarHBondContact O-CA 3.03Å; M418-R427 VanDerWaalsContact SD-CZ 3.59Å; M418-R427 PolarHBondContact SD-NH2 2.94Å; I419-R427 HydrophobicContact CG1-CG 4.45Å; R427-Q453 HydrophobicContact CB-CG 4.03Å; R427-Q453 WeakPolarHBondContact O-CG 3.31Å; R427-Q453 PolarHBondContact O-N 3.32Å; R427-T454 PolarHBondContact N-OG1 3.43Å
428	R	95.7	Very high	93.5	Very high	77 Å²	77	37.2 Å²	37.2	29%	0.291	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	127.1	177.8	-66.8	-176.9	179.2	176.6	-4.6	109.9	M418 A423 R426 I451 D452 L464	M418-R428 PolarHBondContact O-N 3.13Å; M418-R428 VanDerWaalsContact O-O 3.08Å; A423-R428 HydrophobicContact CB-CG 4.36Å; R426-R428 HydrophobicContact CB-CG 4.31Å; R426-R428 PolarHBondContact O-N 3.25Å; R428-I451 CarbonylContact C-O 3.57Å; R428-I451 VanDerWaalsContact CA-O 3.31Å; R428-I451 WeakPolarHBondContact CA-O 3.39Å; R428-D452 HydrophobicContact CG-CB 4.12Å; R428-D452 IonicContact CZ-OD2 2.71Å; R428-D452 IonicContact NE-OD2 3.54Å; R428-D452 PolarHBondContact NE-OD2 3.07Å; R428-D452 VanDerWaalsContact NE-OD2 3.12Å; R428-D452 IonicContact NH2-OD2 2.66Å; R428-L464 HydrophobicContact CG-CD1 3.96Å
429	I	94.9	Very high	93.3	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	141.6	-176.4	59.5	168.8	0	0	0	111.4	V339 M418 I431 H450 I451 Q453	V339-I429 HydrophobicContact CG1-CD1 4.47Å; V339-I429 HydrophobicContact CG2-CD1 4.34Å; M418-I429 HydrophobicContact CB-CG2 4.14Å; M418-I429 HydrophobicContact CG-CG2 3.71Å; I429-I431 HydrophobicContact CD1-CD1 3.65Å; I429-I431 HydrophobicContact CD1-CG1 3.89Å; I429-I431 HydrophobicContact CG1-CD1 4.38Å; I429-I431 HydrophobicContact CG1-CG1 4.26Å; I429-H450 WeakPolarHBondContact O-CA 3.4Å; I429-I451 HydrophobicContact CG1-CB 4.2Å; I429-I451 PolarHBondContact N-O 3.48Å; I429-I451 PolarHBondContact O-N 2.68Å; I429-Q453 HydrophobicContact CD1-CG 4.45Å; I429-Q453 HydrophobicContact CG1-CG 4.38Å
430	W	97.2	Very high	93.2	Very high	32 Å²	32	40.9 Å²	40.9	12%	0.121	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	128.6	165.2	-77.2	98.8	0	0	0	109.4	F414 A415 Q448 F449 H450 W467 M472 P587 F588 A591	F414-W430 CarbonylContact C-O 3.53Å; F414-W430 VanDerWaalsContact CA-O 3.3Å; F414-W430 WeakPolarHBondContact CA-O 3.35Å; A415-W430 HydrophobicContact CB-CB 4.28Å; A415-W430 PolarHBondContact N-O 2.93Å; W430-Q448 HydrophobicContact CE3-CB 4.08Å; W430-Q448 HydrophobicContact CZ3-CB 4.24Å; W430-F449 WeakPolarHBondContact CA-O 3.44Å; W430-H450 HydrophobicContact CD2-CB 4.02Å; W430-H450 AromaticContact CE2-CD2 3.73Å; W430-H450 AromaticContact CE2-CG 3.68Å; W430-H450 HydrophobicContact CE3-CB 3.89Å; W430-H450 HydrophobicContact CH2-CB 3.58Å; W430-H450 HydrophobicContact CZ2-CB 3.68Å; W430-H450 AromaticContact CZ2-CG 3.61Å; W430-H450 AromaticContact CZ2-ND1 3.76Å; W430-H450 HydrophobicContact CZ3-CB 3.68Å; W430-H450 AromaticContact NE1-CD2 3.71Å; W430-H450 AromaticContact NE1-NE2 3.9Å; W430-W467 HydrophobicContact CZ3-CB 4.46Å; W430-M472 HydrophobicContact CH2-CE 3.78Å; W430-M472 HydrophobicContact CH2-SD 3.78Å; W430-M472 HydrophobicContact CZ3-SD 4.36Å; W430-P587 HydrophobicContact CD2-CB 3.84Å; W430-P587 HydrophobicContact CE3-CB 3.91Å; W430-P587 HydrophobicContact CH2-CB 3.34Å; W430-P587 HydrophobicContact CH2-CG 3.69Å; W430-P587 HydrophobicContact CZ2-CB 3.28Å; W430-P587 HydrophobicContact CZ2-CG 4.05Å; W430-P587 HydrophobicContact CZ3-CB 3.67Å; W430-P587 HydrophobicContact CZ3-CG 4.07Å; W430-F588 HydrophobicContact CB-CB 4.49Å; W430-F588 HydrophobicContact CB-CD2 4.06Å; W430-A591 HydrophobicContact CG-CB 4.37Å
431	I	97.9	Very high	93.5	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.015	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.8	175.1	-58.5	-177.5	0	0	0	108.1	V339 L343 P412 I413 F414 I429 Q448 F449 I451	V339-I431 HydrophobicContact CG1-CD1 3.26Å; L343-I431 HydrophobicContact CD1-CD1 3.77Å; L343-I431 HydrophobicContact CD1-CG2 3.9Å; L343-I431 HydrophobicContact CD2-CD1 4.36Å; L343-I431 HydrophobicContact CD2-CG2 4.49Å; L343-I431 HydrophobicContact CG-CD1 4.34Å; P412-I431 HydrophobicContact CB-CG2 3.53Å; I413-I431 CarbonylContact O-C 3.48Å; I413-I431 VanDerWaalsContact O-CA 3.29Å; I413-I431 WeakPolarHBondContact O-CA 3.44Å; I413-I431 WeakPolarHBondContact O-CG2 3.49Å; F414-I431 HydrophobicContact CB-CG1 4.12Å; I429-I431 HydrophobicContact CD1-CD1 3.65Å; I429-I431 HydrophobicContact CD1-CG1 3.89Å; I429-I431 HydrophobicContact CG1-CD1 4.38Å; I429-I431 HydrophobicContact CG1-CG1 4.26Å; I431-Q448 CarbonylContact O-C 3.59Å; I431-Q448 WeakPolarHBondContact O-CA 3.36Å; I431-F449 PolarHBondContact N-O 2.85Å; I431-F449 PolarHBondContact O-N 2.73Å; I431-I451 HydrophobicContact CD1-CD1 3.87Å
432	R	97.1	Very high	93.9	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	158.3	170.2	68.5	-176.5	177.2	140.2	19.4	111.1	P412 I413 I447 Q448 F588 H722 V723	P412-R432 WeakPolarHBondContact CA-O 3.49Å; I413-R432 HydrophobicContact CD1-CG 3.94Å; I413-R432 VanDerWaalsContact CD1-NH2 3.3Å; I413-R432 HydrophobicContact CG1-CG 3.49Å; I413-R432 VanDerWaalsContact CG1-CG 3.49Å; I413-R432 PolarHBondContact N-O 3.5Å; I413-R432 PolarHBondContact O-N 3.12Å; R432-I447 WeakPolarHBondContact CA-O 3.41Å; R432-Q448 HydrophobicContact CB-CB 4.34Å; R432-Q448 HydrophobicContact CB-CG 3.92Å; R432-F588 HydrophobicContact CB-CD2 3.76Å; R432-F588 HydrophobicContact CB-CE2 4.11Å; R432-F588 HydrophobicContact CB-CG 4.2Å; R432-F588 HydrophobicContact CG-CD1 4.33Å; R432-F588 HydrophobicContact CG-CD2 3.68Å; R432-F588 HydrophobicContact CG-CE1 4.28Å; R432-F588 HydrophobicContact CG-CE2 3.57Å; R432-F588 HydrophobicContact CG-CG 4.07Å; R432-F588 HydrophobicContact CG-CZ 3.9Å; R432-F588 VanDerWaalsContact NE-CE1 3.28Å; R432-H722 PolarHBondContact NE-CE1 3.34Å; R432-H722 PolarHBondContact NH2-CE1 2.93Å; R432-H722 PolarHBondContact NH2-ND1 2.82Å; R432-H722 PolarHBondContact NH2-NE2 3.23Å; R432-V723 PolarHBondContact NH1-O 2.89Å
433	L	97.9	Very high	94.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	142	174.3	-60.8	-174.3	0	0	0	111	T347 Y362 L410 I411 P412 V445 I447 F449	T347-L433 HydrophobicContact CG2-CD1 4.2Å; Y362-L433 HydrophobicContact CD2-CD2 4.05Å; Y362-L433 HydrophobicContact CE2-CD2 3.95Å; L410-L433 HydrophobicContact CB-CB 4.35Å; L410-L433 HydrophobicContact CB-CD1 4.35Å; L410-L433 HydrophobicContact CD1-CD1 4.13Å; I411-L433 CarbonylContact O-C 3.55Å; I411-L433 WeakPolarHBondContact O-CA 3.34Å; P412-L433 HydrophobicContact CB-CD2 4.08Å; L433-V445 HydrophobicContact CB-CG2 3.52Å; L433-V445 WeakPolarHBondContact O-CG2 3.33Å; L433-V445 PolarHBondContact O-N 3.09Å; L433-I447 HydrophobicContact CD1-CB 4.27Å; L433-I447 HydrophobicContact CD1-CD1 4.12Å; L433-I447 HydrophobicContact CD1-CG2 4.16Å; L433-I447 HydrophobicContact CG-CB 4.44Å; L433-I447 HydrophobicContact CG-CG2 4.5Å; L433-I447 PolarHBondContact N-O 3.22Å; L433-I447 VanDerWaalsContact N-O 3.09Å; L433-F449 HydrophobicContact CD1-CE2 4.02Å; L433-F449 HydrophobicContact CD2-CE2 4.35Å; L433-F449 HydrophobicContact CG-CE2 4.03Å
434	C	96.6	Very high	94.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	152.9	175.5	-69.1	0	0	0	0	110	L410 I411 I413 F440 Y443	L410-C434 CarbonylContact C-O 3.48Å; L410-C434 VanDerWaalsContact CA-O 3.25Å; L410-C434 WeakPolarHBondContact CA-O 3.45Å; I411-C434 HydrophobicContact CG1-CB 4.41Å; I411-C434 WeakPolarHBondContact CG1-O 3.44Å; I411-C434 PolarHBondContact N-O 3.46Å; I411-C434 PolarHBondContact O-N 2.98Å; I413-C434 WeakPolarHBondContact CD1-SG 3.36Å; C434-F440 WeakPolarHBondContact CB-O 3.45Å; C434-Y443 CarbonylContact C-O 3.59Å; C434-Y443 WeakPolarHBondContact CA-O 3.41Å
435	R	95.2	Very high	94.6	Very high	5 Å²	5	26.5 Å²	26.5	2%	0.019	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	137.8	171	-57.5	-92.5	-173.2	-178.8	-3.3	109	Y358 P407 C409 L410 V437 F440 Y443 V445 H493 P494 F495	Y358-R435 PolarHBondContact O-NH1 3.06Å; Y358-R435 PolarHBondContact O-NH2 2.83Å; P407-R435 WeakPolarHBondContact O-CD 3.42Å; P407-R435 PolarHBondContact O-NH1 3.18Å; C409-R435 WeakPolarHBondContact O-CA 3.49Å; L410-R435 HydrophobicContact CD2-CG 4.41Å; R435-V437 HydrophobicContact CB-CG2 3.86Å; R435-V437 PolarHBondContact O-N 3.01Å; R435-F440 VanDerWaalsContact O-CB 3.29Å; R435-F440 WeakPolarHBondContact O-CB 3.45Å; R435-Y443 PolarHBondContact N-O 3.11Å; R435-V445 HydrophobicContact CG-CG1 4.41Å; R435-H493 PolarHBondContact NH2-O 2.95Å; R435-P494 VanDerWaalsContact NH2-C 3.25Å; R435-F495 HydrophobicContact CG-CD2 4.46Å
436	Q	94	Very high	94.7	Very high	26 Å²	26	21.4 Å²	21.4	12%	0.121	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	61.8	176	-165.7	-171.2	-9.8	0	0	111.7	G405 R406 C409 I411	G405-Q436 CarbonylContact C-O 3.59Å; R406-Q436 PolarHBondContact N-O 2.83Å; C409-Q436 HydrophobicContact CB-CB 4.04Å; C409-Q436 PolarHBondContact O-N 3.49Å; I411-Q436 HydrophobicContact CD1-CB 4.45Å; I411-Q436 HydrophobicContact CD1-CG 4.31Å; I411-Q436 HydrophobicContact CG1-CB 4.3Å; I411-Q436 HydrophobicContact CG2-CB 3.93Å; I411-Q436 HydrophobicContact CG2-CG 3.96Å
437	V	90.7	Very high	94.7	Very high	7 Å²	7	16.5 Å²	16.5	4%	0.042	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	163.7	177.5	-64.6	0	0	0	0	109.7	K404 P407 R435 P439 F440 Y443 F495	K404-V437 CarbonylContact O-C 3.56Å; K404-V437 WeakPolarHBondContact O-CA 3.46Å; K404-V437 VanDerWaalsContact O-CB 3.23Å; K404-V437 WeakPolarHBondContact O-CB 3.29Å; P407-V437 HydrophobicContact CB-CG1 3.89Å; R435-V437 HydrophobicContact CB-CG2 3.86Å; R435-V437 PolarHBondContact O-N 3.01Å; V437-P439 CarbonylContact O-C 3.48Å; V437-P439 VanDerWaalsContact O-C 3.22Å; V437-F440 WeakPolarHBondContact O-CA 3.47Å; V437-F440 WeakPolarHBondContact O-CB 3.36Å; V437-F440 PolarHBondContact O-N 2.85Å; V437-Y443 HydrophobicContact CG2-CD1 3.81Å; V437-Y443 HydrophobicContact CG2-CD2 3.36Å; V437-Y443 HydrophobicContact CG2-CE1 4.13Å; V437-Y443 HydrophobicContact CG2-CE2 3.73Å; V437-Y443 HydrophobicContact CG2-CG 3.4Å; V437-Y443 VanDerWaalsContact CG2-CG 3.4Å; V437-F495 HydrophobicContact CB-CE2 4.4Å; V437-F495 HydrophobicContact CG1-CE2 3.92Å; V437-F495 HydrophobicContact CG1-CZ 4.17Å; V437-F495 HydrophobicContact CG2-CE2 3.99Å
438	T	88	Confident	94.8	Very high	70 Å²	70	16.5 Å²	16.5	43%	0.429	8%	0.078	S	C	.	.	S	Bend	trans	-87.9	131.8	175.7	-56.2	0	0	0	0	110.5	K404 L503	K404-T438 PolarHBondContact O-N 2.9Å; T438-L503 HydrophobicContact CG2-CD1 4.15Å; T438-L503 WeakPolarHBondContact O-CD1 3.34Å
439	P	90.4	Very high	94.9	Very high	9 Å²	9	12.9 Å²	12.9	6%	0.058	6%	0.064	C	C	.	.	S	Bend	cis	-82.9	123.3	-18.3	33.9	-37.9	0	0	0	112.3	V437 I441 Q442 Y443 Y499 Y720	V437-P439 CarbonylContact O-C 3.48Å; V437-P439 VanDerWaalsContact O-C 3.22Å; P439-I441 PolarHBondContact O-N 2.9Å; P439-Q442 HydrophobicContact CG-CB 4.22Å; P439-Q442 HydrophobicContact CG-CG 4.33Å; P439-Q442 PolarHBondContact O-N 2.91Å; P439-Q442 VanDerWaalsContact O-N 3.12Å; P439-Y443 VanDerWaalsContact O-CD2 3.28Å; P439-Y443 WeakPolarHBondContact O-CD2 3.02Å; P439-Y499 HydrophobicContact CG-CD2 4.46Å; P439-Y499 HydrophobicContact CG-CE2 4.12Å; P439-Y720 HydrophobicContact CB-CD1 3.48Å; P439-Y720 VanDerWaalsContact CB-CD1 3.48Å; P439-Y720 HydrophobicContact CB-CD2 3.99Å; P439-Y720 HydrophobicContact CB-CE1 3.59Å; P439-Y720 HydrophobicContact CB-CE2 4.07Å; P439-Y720 HydrophobicContact CB-CG 3.7Å; P439-Y720 HydrophobicContact CG-CD1 3.33Å; P439-Y720 HydrophobicContact CG-CE1 3.42Å; P439-Y720 VanDerWaalsContact CG-CE1 3.42Å; P439-Y720 HydrophobicContact CG-CG 4.04Å
440	F	92.9	Very high	95.1	Very high	75 Å²	75	14.3 Å²	14.3	33%	0.329	7%	0.071	S	C	.	.	G	3₁₀ helix	trans	-61.3	-29	-166.9	62	-95.6	0	0	0	113.6	I411 I413 C434 R435 V437 Q442 Y443	I411-F440 HydrophobicContact CD1-CB 4.04Å; I411-F440 HydrophobicContact CD1-CD1 4.5Å; I411-F440 HydrophobicContact CD1-CD2 4.15Å; I411-F440 HydrophobicContact CD1-CG 3.97Å; I413-F440 HydrophobicContact CG2-CD2 4.23Å; I413-F440 HydrophobicContact CG2-CE2 3.88Å; C434-F440 WeakPolarHBondContact CB-O 3.45Å; R435-F440 VanDerWaalsContact O-CB 3.29Å; R435-F440 WeakPolarHBondContact O-CB 3.45Å; V437-F440 WeakPolarHBondContact O-CA 3.47Å; V437-F440 WeakPolarHBondContact O-CB 3.36Å; V437-F440 PolarHBondContact O-N 2.85Å; F440-Q442 PolarHBondContact O-N 2.94Å; F440-Y443 PolarHBondContact O-N 3.34Å
441	I	92.7	Very high	95.1	Very high	11 Å²	11	12.9 Å²	12.9	6%	0.056	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-67.8	-20.4	-175.9	-126.5	155.8	0	0	0	113.5	I413 P439 N696	I413-I441 HydrophobicContact CD1-CG1 3.99Å; P439-I441 PolarHBondContact O-N 2.9Å; I441-N696 HydrophobicContact CB-CB 4.27Å; I441-N696 HydrophobicContact CD1-CB 3.52Å; I441-N696 HydrophobicContact CG1-CB 4.38Å; I441-N696 HydrophobicContact CG2-CB 3.7Å
442	Q	93.5	Very high	95.1	Very high	2 Å²	2	12.9 Å²	12.9	1%	0.009	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-94.7	-0.3	175.6	-67.7	178.3	-17.7	0	0	112.9	P439 F440 P444 M498 Y499 I721 V723 P943	P439-Q442 HydrophobicContact CG-CB 4.22Å; P439-Q442 HydrophobicContact CG-CG 4.33Å; P439-Q442 PolarHBondContact O-N 2.91Å; P439-Q442 VanDerWaalsContact O-N 3.12Å; F440-Q442 PolarHBondContact O-N 2.94Å; Q442-P444 VanDerWaalsContact O-CD 3.23Å; Q442-P444 WeakPolarHBondContact O-CD 3.48Å; Q442-M498 HydrophobicContact CB-CE 4.34Å; Q442-M498 WeakPolarHBondContact O-CE 3.22Å; Q442-Y499 HydrophobicContact CB-CE2 4.47Å; Q442-Y499 PolarHBondContact OE1-OH 2.86Å; Q442-I721 WeakPolarHBondContact CG-O 3.13Å; Q442-V723 HydrophobicContact CB-CG2 4.42Å; Q442-V723 HydrophobicContact CG-CG1 4.22Å; Q442-P943 PolarHBondContact NE2-O 2.77Å; Q442-P943 PolarHBondContact OE1-O 3.09Å
443	Y	94.1	Very high	95.1	Very high	13 Å²	13	12.9 Å²	12.9	5%	0.051	7%	0.066	C	C	.	.			trans	-115.7	55.5	174	-65.3	-98.3	0	0	0	112	C434 R435 V437 P439 F440 F495 I496 M498 Y499	C434-Y443 CarbonylContact C-O 3.59Å; C434-Y443 WeakPolarHBondContact CA-O 3.41Å; R435-Y443 PolarHBondContact N-O 3.11Å; V437-Y443 HydrophobicContact CG2-CD1 3.81Å; V437-Y443 HydrophobicContact CG2-CD2 3.36Å; V437-Y443 HydrophobicContact CG2-CE1 4.13Å; V437-Y443 HydrophobicContact CG2-CE2 3.73Å; V437-Y443 HydrophobicContact CG2-CG 3.4Å; V437-Y443 VanDerWaalsContact CG2-CG 3.4Å; P439-Y443 VanDerWaalsContact O-CD2 3.28Å; P439-Y443 WeakPolarHBondContact O-CD2 3.02Å; F440-Y443 PolarHBondContact O-N 3.34Å; Y443-F495 HydrophobicContact CD1-CD2 4.24Å; Y443-F495 AromaticContact CD1-CE2 3.69Å; Y443-F495 HydrophobicContact CD1-CE2 3.69Å; Y443-F495 HydrophobicContact CE1-CD2 4.38Å; Y443-F495 AromaticContact CE1-CE2 3.53Å; Y443-F495 HydrophobicContact CE1-CE2 3.53Å; Y443-F495 HydrophobicContact CE1-CZ 4.17Å; Y443-I496 VanDerWaalsContact CE1-O 3.3Å; Y443-I496 WeakPolarHBondContact CE1-O 3.39Å; Y443-M498 HydrophobicContact CD1-CE 3.63Å; Y443-M498 HydrophobicContact CD2-CE 3.92Å; Y443-M498 HydrophobicContact CE1-CB 4.33Å; Y443-M498 HydrophobicContact CE1-CE 3.41Å; Y443-M498 VanDerWaalsContact CE1-CE 3.41Å; Y443-M498 HydrophobicContact CE1-CG 3.89Å; Y443-M498 HydrophobicContact CE1-SD 4.34Å; Y443-M498 HydrophobicContact CE2-CE 3.73Å; Y443-M498 HydrophobicContact CG-CE 3.87Å; Y443-M498 VanDerWaalsContact CZ-CE 3.47Å; Y443-M498 PolarHBondContact OH-N 2.84Å; Y443-Y499 HydrophobicContact CE2-CD2 4.23Å; Y443-Y499 HydrophobicContact CE2-CE2 4.21Å
444	P	94.8	Very high	95	Very high	6 Å²	6	14.2 Å²	14.2	4%	0.039	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	152.5	172.7	29.9	-33	0	0	0	111	Q442 V723 V725	Q442-P444 VanDerWaalsContact O-CD 3.23Å; Q442-P444 WeakPolarHBondContact O-CD 3.48Å; P444-V723 HydrophobicContact CG-CG2 3.81Å; P444-V725 HydrophobicContact CB-CG2 3.83Å; P444-V725 HydrophobicContact CG-CG2 3.71Å
445	V	95.8	Very high	94.8	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.012	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	152.1	159.3	-62.6	0	0	0	0	108.2	Y358 L410 L433 R435 I447	Y358-V445 HydrophobicContact CD1-CB 3.78Å; Y358-V445 HydrophobicContact CD1-CG1 3.61Å; Y358-V445 HydrophobicContact CD2-CB 4.48Å; Y358-V445 HydrophobicContact CE1-CB 3.65Å; Y358-V445 HydrophobicContact CE1-CG1 3.98Å; Y358-V445 HydrophobicContact CE2-CB 4.38Å; Y358-V445 HydrophobicContact CG-CB 4.19Å; Y358-V445 HydrophobicContact CG-CG1 4.02Å; L410-V445 HydrophobicContact CD1-CG2 4.15Å; L410-V445 HydrophobicContact CD2-CG1 3.82Å; L410-V445 HydrophobicContact CD2-CG2 4.04Å; L433-V445 HydrophobicContact CB-CG2 3.52Å; L433-V445 WeakPolarHBondContact O-CG2 3.33Å; L433-V445 PolarHBondContact O-N 3.09Å; R435-V445 HydrophobicContact CG-CG1 4.41Å; V445-I447 HydrophobicContact CG2-CB 4.42Å; V445-I447 HydrophobicContact CG2-CD1 4.17Å; V445-I447 HydrophobicContact CG2-CG1 4.24Å; V445-I447 PolarHBondContact O-N 3.41Å
446	D	96	Very high	94.6	Very high	5 Å²	5	16.4 Å²	16.4	3%	0.027	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	60.1	-173.4	-158.2	28.3	0	0	0	111.9	Y358 W467 F468 Q469 G470 V725 L727	Y358-D446 PolarHBondContact OH-N 3.5Å; Y358-D446 PolarHBondContact OH-O 3.18Å; D446-W467 VanDerWaalsContact OD1-CD1 3.23Å; D446-W467 PolarHBondContact OD1-NE1 3.04Å; D446-W467 PolarHBondContact OD2-NE1 2.98Å; D446-W467 VanDerWaalsContact OD2-NE1 3.14Å; D446-F468 WeakPolarHBondContact O-CA 3.36Å; D446-Q469 PolarHBondContact O-N 2.77Å; D446-Q469 VanDerWaalsContact OD2-C 3.26Å; D446-Q469 WeakPolarHBondContact OD2-CA 3.39Å; D446-Q469 PolarHBondContact OD2-N 3.21Å; D446-G470 PolarHBondContact OD2-N 2.64Å; D446-V725 HydrophobicContact CB-CB 3.97Å; D446-V725 HydrophobicContact CB-CG1 4Å; D446-V725 HydrophobicContact CB-CG2 4.06Å; D446-L727 HydrophobicContact CB-CD2 4.22Å
447	I	97.9	Very high	94.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	123.6	174.2	-53.2	172.3	0	0	0	107.7	I354 Y358 R432 L433 V445 F449 W467 F468	I354-I447 HydrophobicContact CD1-CD1 4.19Å; I354-I447 HydrophobicContact CG1-CD1 3.85Å; I354-I447 HydrophobicContact CG2-CD1 4.31Å; Y358-I447 HydrophobicContact CD2-CD1 3.76Å; Y358-I447 HydrophobicContact CD2-CG1 4.37Å; Y358-I447 HydrophobicContact CE2-CD1 3.42Å; Y358-I447 VanDerWaalsContact CE2-CD1 3.42Å; Y358-I447 HydrophobicContact CE2-CG1 3.54Å; R432-I447 WeakPolarHBondContact CA-O 3.41Å; L433-I447 HydrophobicContact CD1-CB 4.27Å; L433-I447 HydrophobicContact CD1-CD1 4.12Å; L433-I447 HydrophobicContact CD1-CG2 4.16Å; L433-I447 HydrophobicContact CG-CB 4.44Å; L433-I447 HydrophobicContact CG-CG2 4.5Å; L433-I447 PolarHBondContact N-O 3.22Å; L433-I447 VanDerWaalsContact N-O 3.09Å; V445-I447 HydrophobicContact CG2-CB 4.42Å; V445-I447 HydrophobicContact CG2-CD1 4.17Å; V445-I447 HydrophobicContact CG2-CG1 4.24Å; V445-I447 PolarHBondContact O-N 3.41Å; I447-F449 HydrophobicContact CG2-CD2 4.44Å; I447-F449 HydrophobicContact CG2-CE2 3.62Å; I447-F449 HydrophobicContact CG2-CZ 3.76Å; I447-W467 CarbonylContact C-O 3.52Å; I447-W467 WeakPolarHBondContact CA-O 3.38Å; I447-F468 HydrophobicContact CD1-CD2 4.39Å; I447-F468 HydrophobicContact CD1-CE2 3.85Å; I447-F468 HydrophobicContact CG1-CD2 3.82Å; I447-F468 HydrophobicContact CG1-CE2 3.71Å; I447-F468 HydrophobicContact CG1-CZ 4.47Å; I447-F468 HydrophobicContact CG2-CD2 4.31Å
448	Q	98.2	Very high	94.4	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	146.1	176.4	-32.7	176.5	-10.1	0	0	110.8	W430 I431 R432 I466 W467 S586 F588	W430-Q448 HydrophobicContact CE3-CB 4.08Å; W430-Q448 HydrophobicContact CZ3-CB 4.24Å; I431-Q448 CarbonylContact O-C 3.59Å; I431-Q448 WeakPolarHBondContact O-CA 3.36Å; R432-Q448 HydrophobicContact CB-CB 4.34Å; R432-Q448 HydrophobicContact CB-CG 3.92Å; Q448-I466 CarbonylContact O-C 3.54Å; Q448-I466 WeakPolarHBondContact O-CA 3.41Å; Q448-W467 HydrophobicContact CB-CB 3.83Å; Q448-W467 HydrophobicContact CB-CG 4.49Å; Q448-W467 HydrophobicContact CG-CB 3.97Å; Q448-W467 HydrophobicContact CG-CG 4.1Å; Q448-W467 PolarHBondContact N-O 2.66Å; Q448-W467 PolarHBondContact O-N 3.37Å; Q448-S586 PolarHBondContact NE2-OG 3.39Å; Q448-S586 VanDerWaalsContact NE2-OG 3.08Å; Q448-F588 VanDerWaalsContact CD-CB 3.46Å; Q448-F588 HydrophobicContact CG-CB 4.42Å
449	F	98.5	Very high	94.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.8	-179.8	-59.1	-90.3	0	0	0	109	L343 Q346 T347 M350 W430 I431 L433 I447 I451 L463 I466	L343-F449 HydrophobicContact CD2-CB 4.17Å; L343-F449 HydrophobicContact CD2-CD1 4.42Å; L343-F449 HydrophobicContact CD2-CD2 3.73Å; L343-F449 HydrophobicContact CD2-CE2 4.22Å; L343-F449 HydrophobicContact CD2-CG 3.85Å; Q346-F449 HydrophobicContact CB-CD1 4.48Å; Q346-F449 HydrophobicContact CB-CE1 4.13Å; T347-F449 HydrophobicContact CG2-CE2 4.19Å; T347-F449 HydrophobicContact CG2-CZ 3.81Å; M350-F449 HydrophobicContact CE-CE1 3.82Å; M350-F449 HydrophobicContact CE-CZ 4.28Å; M350-F449 HydrophobicContact SD-CE1 4.22Å; M350-F449 HydrophobicContact SD-CZ 4.06Å; W430-F449 WeakPolarHBondContact CA-O 3.44Å; I431-F449 PolarHBondContact N-O 2.85Å; I431-F449 PolarHBondContact O-N 2.73Å; L433-F449 HydrophobicContact CD1-CE2 4.02Å; L433-F449 HydrophobicContact CD2-CE2 4.35Å; L433-F449 HydrophobicContact CG-CE2 4.03Å; I447-F449 HydrophobicContact CG2-CD2 4.44Å; I447-F449 HydrophobicContact CG2-CE2 3.62Å; I447-F449 HydrophobicContact CG2-CZ 3.76Å; F449-I451 HydrophobicContact CB-CD1 4.18Å; F449-I451 HydrophobicContact CB-CG1 4.11Å; F449-L463 HydrophobicContact CB-CD1 4.09Å; F449-L463 HydrophobicContact CD1-CD1 3.93Å; F449-I466 HydrophobicContact CD1-CG1 4.3Å
450	H	98.1	Very high	94.7	Very high	33 Å²	33	21.4 Å²	21.4	15%	0.153	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	112.8	171	-170.9	-158.1	0	0	0	109	I429 W430 L464 G465	I429-H450 WeakPolarHBondContact O-CA 3.4Å; W430-H450 HydrophobicContact CD2-CB 4.02Å; W430-H450 AromaticContact CE2-CD2 3.73Å; W430-H450 AromaticContact CE2-CG 3.68Å; W430-H450 HydrophobicContact CE3-CB 3.89Å; W430-H450 HydrophobicContact CH2-CB 3.58Å; W430-H450 HydrophobicContact CZ2-CB 3.68Å; W430-H450 AromaticContact CZ2-CG 3.61Å; W430-H450 AromaticContact CZ2-ND1 3.76Å; W430-H450 HydrophobicContact CZ3-CB 3.68Å; W430-H450 AromaticContact NE1-CD2 3.71Å; W430-H450 AromaticContact NE1-NE2 3.9Å; H450-L464 HydrophobicContact CB-CB 4.25Å; H450-L464 PolarHBondContact O-N 3.38Å; H450-G465 PolarHBondContact N-O 3.06Å
451	I	97.9	Very high	94.9	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.6	-170.8	-55.3	174.8	0	0	0	109.3	Y342 L343 R428 I429 I431 F449 E462 L463	Y342-I451 HydrophobicContact CD1-CD1 3.95Å; Y342-I451 HydrophobicContact CD1-CG2 4.43Å; Y342-I451 HydrophobicContact CE1-CD1 4.13Å; Y342-I451 HydrophobicContact CE1-CG1 4.33Å; Y342-I451 HydrophobicContact CE1-CG2 4.12Å; L343-I451 HydrophobicContact CD2-CD1 3.89Å; L343-I451 HydrophobicContact CG-CD1 4.39Å; R428-I451 CarbonylContact C-O 3.57Å; R428-I451 VanDerWaalsContact CA-O 3.31Å; R428-I451 WeakPolarHBondContact CA-O 3.39Å; I429-I451 HydrophobicContact CG1-CB 4.2Å; I429-I451 PolarHBondContact N-O 3.48Å; I429-I451 PolarHBondContact O-N 2.68Å; I431-I451 HydrophobicContact CD1-CD1 3.87Å; F449-I451 HydrophobicContact CB-CD1 4.18Å; F449-I451 HydrophobicContact CB-CG1 4.11Å; I451-E462 WeakPolarHBondContact CA-O 3.49Å; I451-L463 HydrophobicContact CG1-CD1 4.26Å
452	D	97.6	Very high	95.1	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.021	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	108.2	164.6	-163.2	-41.2	0	0	0	109.4	R426 R428 T454 W461 E462 L464	R426-D452 IonicContact CZ-OD1 3.7Å; R426-D452 IonicContact CZ-OD2 2.73Å; R426-D452 IonicContact NE-OD1 3.07Å; R426-D452 IonicContact NE-OD2 3.52Å; R426-D452 PolarHBondContact NE-OD2 2.97Å; R426-D452 IonicContact NH2-OD1 3.8Å; R426-D452 PolarHBondContact NH2-OD1 2.81Å; R426-D452 IonicContact NH2-OD2 3.46Å; R426-D452 PolarHBondContact NH2-OD2 2.85Å; R428-D452 HydrophobicContact CG-CB 4.12Å; R428-D452 IonicContact CZ-OD2 2.71Å; R428-D452 IonicContact NE-OD2 3.54Å; R428-D452 PolarHBondContact NE-OD2 3.07Å; R428-D452 VanDerWaalsContact NE-OD2 3.12Å; R428-D452 IonicContact NH2-OD2 2.66Å; D452-T454 WeakPolarHBondContact OD1-CB 3.37Å; D452-T454 PolarHBondContact OD1-N 3.3Å; D452-T454 PolarHBondContact OD1-OG1 3.25Å; D452-W461 WeakPolarHBondContact O-CA 3.42Å; D452-E462 HydrophobicContact CB-CB 4.33Å; D452-E462 PolarHBondContact N-O 2.9Å; D452-E462 PolarHBondContact O-N 3.14Å; D452-E462 VanDerWaalsContact O-N 3.14Å; D452-L464 HydrophobicContact CB-CD1 3.96Å; D452-L464 HydrophobicContact CB-CD2 4.25Å; D452-L464 HydrophobicContact CB-CG 4.08Å
453	Q	95.8	Very high	95.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.123	C	C	.	.			trans	-110.6	30.6	178.5	60.3	169.1	2.3	0	0	111.7	V339 R427 I429 S455 W461	V339-Q453 VanDerWaalsContact CG2-OE1 3.25Å; R427-Q453 HydrophobicContact CB-CG 4.03Å; R427-Q453 WeakPolarHBondContact O-CG 3.31Å; R427-Q453 PolarHBondContact O-N 3.32Å; I429-Q453 HydrophobicContact CD1-CG 4.45Å; I429-Q453 HydrophobicContact CG1-CG 4.38Å; Q453-S455 VanDerWaalsContact C-N 3.31Å; Q453-S455 PolarHBondContact O-N 2.74Å; Q453-W461 HydrophobicContact CB-CD2 3.84Å; Q453-W461 HydrophobicContact CB-CE3 4.38Å; Q453-W461 HydrophobicContact CB-CG 4.22Å; Q453-W461 HydrophobicContact CB-CH2 4.4Å; Q453-W461 HydrophobicContact CB-CZ2 3.89Å
454	T	95.7	Very high	95.5	Very high	29 Å²	29	25.8 Å²	25.8	18%	0.178	13%	0.131	C	C	.	.			trans	-63.2	-39.3	-179.4	-56	0	0	0	0	111.8	R426 R427 D452	R426-T454 WeakPolarHBondContact CA-OG1 3.21Å; R426-T454 VanDerWaalsContact CZ-CB 3.46Å; R426-T454 VanDerWaalsContact CZ-OG1 3.29Å; R426-T454 PolarHBondContact NE-OG1 2.78Å; R427-T454 PolarHBondContact N-OG1 3.43Å; D452-T454 WeakPolarHBondContact OD1-CB 3.37Å; D452-T454 PolarHBondContact OD1-N 3.3Å; D452-T454 PolarHBondContact OD1-OG1 3.25Å
455	S	93.1	Very high	95.7	Very high	29 Å²	29	25.6 Å²	25.6	20%	0.203	13%	0.13	C	C	.	.	S	Bend	trans	-66.5	145.9	177.3	-171.9	0	0	0	0	111.2	Q453 D457 E460 W461	Q453-S455 VanDerWaalsContact C-N 3.31Å; Q453-S455 PolarHBondContact O-N 2.74Å; S455-D457 PolarHBondContact OG-N 2.88Å; S455-E460 WeakPolarHBondContact CB-OE2 3.07Å; S455-E460 PolarHBondContact OG-OE2 3.4Å; S455-W461 PolarHBondContact O-NE1 2.74Å
456	L	90.7	Very high	95.8	Very high	22 Å²	22	25.5 Å²	25.5	12%	0.115	13%	0.129	C	C	.	.	S	Bend	trans	-80.8	-3.6	168.1	-58.1	-173.2	0	0	0	112.4	K234 P302 Y326 P458	K234-L456 HydrophobicContact CG-CB 4.47Å; P302-L456 HydrophobicContact CB-CD1 4.15Å; P302-L456 HydrophobicContact CG-CD1 3.71Å; Y326-L456 HydrophobicContact CD1-CD1 3.9Å; Y326-L456 HydrophobicContact CD1-CD2 3.79Å; Y326-L456 HydrophobicContact CD1-CG 4.37Å; Y326-L456 HydrophobicContact CE1-CD1 3.65Å; Y326-L456 HydrophobicContact CE1-CD2 3.49Å; Y326-L456 VanDerWaalsContact CE1-CD2 3.49Å; Y326-L456 HydrophobicContact CE1-CG 4.21Å; L456-P458 WeakPolarHBondContact O-CD 3.32Å
457	D	90.4	Very high	95.9	Very high	33 Å²	33	26.3 Å²	26.3	18%	0.176	13%	0.132	C	C	.	.	S	Bend	trans	-100.7	107.2	169.4	-163.1	-32.7	0	0	0	109.5	F230 S455 D459 E460	F230-D457 WeakPolarHBondContact CD2-OD1 3.1Å; F230-D457 WeakPolarHBondContact CE2-OD1 3.4Å; S455-D457 PolarHBondContact OG-N 2.88Å; D457-D459 PolarHBondContact O-N 3.05Å; D457-D459 VanDerWaalsContact O-N 3.13Å; D457-D459 VanDerWaalsContact OD1-CB 3.29Å; D457-D459 WeakPolarHBondContact OD1-CB 3.43Å; D457-D459 PolarHBondContact OD1-N 3.38Å; D457-E460 HydrophobicContact CB-CB 4.36Å; D457-E460 HydrophobicContact CB-CG 3.98Å; D457-E460 WeakPolarHBondContact O-CB 3.38Å; D457-E460 PolarHBondContact O-N 2.91Å
458	P	91.4	Very high	95.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-53.7	-21.3	172.4	-29.5	36	0	0	0	115.7	F230 L233 M338 W372 L456 E460 W461	F230-P458 HydrophobicContact CD1-CB 4.26Å; F230-P458 HydrophobicContact CD1-CG 3.57Å; F230-P458 HydrophobicContact CE1-CB 3.71Å; F230-P458 HydrophobicContact CE1-CG 3.55Å; F230-P458 HydrophobicContact CG-CG 4.37Å; F230-P458 HydrophobicContact CZ-CB 4.17Å; F230-P458 HydrophobicContact CZ-CG 4.35Å; L233-P458 HydrophobicContact CD1-CG 4.18Å; M338-P458 HydrophobicContact CB-CG 4.01Å; M338-P458 HydrophobicContact CG-CG 4.1Å; M338-P458 HydrophobicContact SD-CG 4.36Å; W372-P458 HydrophobicContact CH2-CB 4.27Å; W372-P458 HydrophobicContact CZ2-CB 3.78Å; L456-P458 WeakPolarHBondContact O-CD 3.32Å; P458-E460 VanDerWaalsContact C-N 3.26Å; P458-W461 HydrophobicContact CB-CD2 4.11Å; P458-W461 HydrophobicContact CB-CE3 4.21Å; P458-W461 HydrophobicContact CB-CH2 4.44Å; P458-W461 HydrophobicContact CB-CZ2 4.32Å; P458-W461 HydrophobicContact CB-CZ3 4.36Å; P458-W461 HydrophobicContact CG-CH2 4.29Å; P458-W461 HydrophobicContact CG-CZ2 4.01Å; P458-W461 WeakPolarHBondContact O-CB 2.98Å; P458-W461 PolarHBondContact O-N 2.58Å
459	D	90.1	Very high	95.7	Very high	48 Å²	48	26.8 Å²	26.8	26%	0.257	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-71.2	-23.3	172.4	-84	-14.4	0	0	0	113.5	F230 Y371 W372 K375 D457 W461	F230-D459 HydrophobicContact CE2-CB 4.47Å; Y371-D459 WeakPolarHBondContact CE1-OD1 3.19Å; Y371-D459 WeakPolarHBondContact CE1-OD2 3.37Å; Y371-D459 PolarHBondContact OH-OD2 3.02Å; W372-D459 WeakPolarHBondContact CH2-OD1 3.48Å; W372-D459 WeakPolarHBondContact CZ3-OD1 3Å; K375-D459 IonicContact NZ-OD1 3.25Å; K375-D459 PolarHBondContact NZ-OD1 2.01Å; K375-D459 IonicContact NZ-OD2 2.77Å; K375-D459 PolarHBondContact NZ-OD2 2.79Å; D457-D459 PolarHBondContact O-N 3.05Å; D457-D459 VanDerWaalsContact O-N 3.13Å; D457-D459 VanDerWaalsContact OD1-CB 3.29Å; D457-D459 WeakPolarHBondContact OD1-CB 3.43Å; D457-D459 PolarHBondContact OD1-N 3.38Å; D459-W461 VanDerWaalsContact C-N 3.33Å
460	E	94.2	Very high	95.5	Very high	135 Å²	135	27.9 Å²	27.9	63%	0.631	15%	0.146	S	C	*	.	G	3₁₀ helix	trans	-92.4	4	177.7	-61.1	179	171.3	0	0	112.1	S455 D457 P458	S455-E460 WeakPolarHBondContact CB-OE2 3.07Å; S455-E460 PolarHBondContact OG-OE2 3.4Å; D457-E460 HydrophobicContact CB-CB 4.36Å; D457-E460 HydrophobicContact CB-CG 3.98Å; D457-E460 WeakPolarHBondContact O-CB 3.38Å; D457-E460 PolarHBondContact O-N 2.91Å; P458-E460 VanDerWaalsContact C-N 3.26Å
461	W	96.7	Very high	95.3	Very high	14 Å²	14	30.9 Å²	30.9	5%	0.053	16%	0.16	C	C	.	.			trans	-73.7	140.7	176.5	-69.5	1.3	0	0	0	111.9	M338 V339 Y342 D452 Q453 S455 P458 D459	M338-W461 HydrophobicContact CB-CH2 3.63Å; M338-W461 HydrophobicContact CB-CZ2 4.46Å; M338-W461 HydrophobicContact CB-CZ3 4.14Å; V339-W461 HydrophobicContact CB-CZ3 4.42Å; V339-W461 HydrophobicContact CG2-CH2 3.77Å; V339-W461 HydrophobicContact CG2-CZ3 3.8Å; Y342-W461 HydrophobicContact CD2-CB 4.13Å; Y342-W461 AromaticContact CD2-CE3 3.87Å; Y342-W461 HydrophobicContact CD2-CE3 3.87Å; Y342-W461 HydrophobicContact CE2-CB 3.68Å; Y342-W461 AromaticContact CG-CE3 3.94Å; Y342-W461 HydrophobicContact CG-CE3 3.94Å; Y342-W461 PolarHBondContact OH-O 3.31Å; Y342-W461 VanDerWaalsContact OH-O 3.1Å; D452-W461 WeakPolarHBondContact O-CA 3.42Å; Q453-W461 HydrophobicContact CB-CD2 3.84Å; Q453-W461 HydrophobicContact CB-CE3 4.38Å; Q453-W461 HydrophobicContact CB-CG 4.22Å; Q453-W461 HydrophobicContact CB-CH2 4.4Å; Q453-W461 HydrophobicContact CB-CZ2 3.89Å; S455-W461 PolarHBondContact O-NE1 2.74Å; P458-W461 HydrophobicContact CB-CD2 4.11Å; P458-W461 HydrophobicContact CB-CE3 4.21Å; P458-W461 HydrophobicContact CB-CH2 4.44Å; P458-W461 HydrophobicContact CB-CZ2 4.32Å; P458-W461 HydrophobicContact CB-CZ3 4.36Å; P458-W461 HydrophobicContact CG-CH2 4.29Å; P458-W461 HydrophobicContact CG-CZ2 4.01Å; P458-W461 WeakPolarHBondContact O-CB 2.98Å; P458-W461 PolarHBondContact O-N 2.58Å; D459-W461 VanDerWaalsContact C-N 3.33Å
462	E	97.5	Very high	95.3	Very high	112 Å²	112	34.9 Å²	34.9	52%	0.523	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	132	-175.1	-168.6	179	-179.4	0	0	111.1	I451 D452 L464	I451-E462 WeakPolarHBondContact CA-O 3.49Å; D452-E462 HydrophobicContact CB-CB 4.33Å; D452-E462 PolarHBondContact N-O 2.9Å; D452-E462 PolarHBondContact O-N 3.14Å; D452-E462 VanDerWaalsContact O-N 3.14Å; E462-L464 HydrophobicContact CB-CD2 4.33Å; E462-L464 HydrophobicContact CG-CD2 3.99Å; E462-L464 PolarHBondContact O-N 2.75Å
463	L	98.1	Very high	95.4	Very high	25 Å²	25	34.8 Å²	34.8	13%	0.131	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	100.8	166.5	179.1	64.9	0	0	0	107.5	Y342 Q346 F449 I451 G465 I466 I476	Y342-L463 PolarHBondContact OH-N 2.96Å; Q346-L463 HydrophobicContact CG-CD2 4.35Å; F449-L463 HydrophobicContact CB-CD1 4.09Å; F449-L463 HydrophobicContact CD1-CD1 3.93Å; I451-L463 HydrophobicContact CG1-CD1 4.26Å; L463-G465 VanDerWaalsContact C-N 3.3Å; L463-G465 WeakPolarHBondContact CD1-O 3.21Å; L463-I466 HydrophobicContact CD1-CG1 4.17Å; L463-I466 HydrophobicContact CD2-CD1 3.67Å; L463-I466 HydrophobicContact CD2-CG1 3.82Å; L463-I466 HydrophobicContact CG-CG1 4.21Å; L463-I476 HydrophobicContact CD2-CD1 4.1Å; L463-I476 HydrophobicContact CD2-CG1 3.95Å
464	L	97.7	Very high	95.4	Very high	43 Å²	43	39.6 Å²	39.6	23%	0.225	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	-23.1	-176.9	-61.8	177.6	0	0	0	112.9	R428 H450 D452 E462	R428-L464 HydrophobicContact CG-CD1 3.96Å; H450-L464 HydrophobicContact CB-CB 4.25Å; H450-L464 PolarHBondContact O-N 3.38Å; D452-L464 HydrophobicContact CB-CD1 3.96Å; D452-L464 HydrophobicContact CB-CD2 4.25Å; D452-L464 HydrophobicContact CB-CG 4.08Å; E462-L464 HydrophobicContact CB-CD2 4.33Å; E462-L464 HydrophobicContact CG-CD2 3.99Å; E462-L464 PolarHBondContact O-N 2.75Å
465	G	98	Very high	95.5	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.9	168.2	178.4	0	0	0	0	0	113.3	H450 L463 F473	H450-G465 PolarHBondContact N-O 3.06Å; L463-G465 VanDerWaalsContact C-N 3.3Å; L463-G465 WeakPolarHBondContact CD1-O 3.21Å; G465-F473 CarbonylContact C-O 3.45Å; G465-F473 WeakPolarHBondContact CA-O 3.04Å
466	I	98.4	Very high	95.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	126	-177.9	-55.3	172.4	0	0	0	108	M350 Q448 F449 L463 M472 F473 I476	M350-I466 HydrophobicContact CE-CD1 3.5Å; M350-I466 VanDerWaalsContact CE-CD1 3.5Å; M350-I466 HydrophobicContact CE-CG2 4.22Å; Q448-I466 CarbonylContact O-C 3.54Å; Q448-I466 WeakPolarHBondContact O-CA 3.41Å; F449-I466 HydrophobicContact CD1-CG1 4.3Å; L463-I466 HydrophobicContact CD1-CG1 4.17Å; L463-I466 HydrophobicContact CD2-CD1 3.67Å; L463-I466 HydrophobicContact CD2-CG1 3.82Å; L463-I466 HydrophobicContact CG-CG1 4.21Å; I466-M472 CarbonylContact O-C 3.59Å; I466-F473 PolarHBondContact N-O 2.66Å; I466-F473 PolarHBondContact O-N 3.38Å; I466-I476 HydrophobicContact CD1-CB 4.13Å; I466-I476 HydrophobicContact CD1-CD1 4.19Å; I466-I476 HydrophobicContact CD1-CG1 3.17Å
467	W	98.1	Very high	96.1	Very high	22 Å²	22	42.4 Å²	42.4	8%	0.083	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	126.3	164.3	178.1	-85.1	0	0	0	108.7	W430 D446 I447 Q448 Q471 M472 P587	W430-W467 HydrophobicContact CZ3-CB 4.46Å; D446-W467 VanDerWaalsContact OD1-CD1 3.23Å; D446-W467 PolarHBondContact OD1-NE1 3.04Å; D446-W467 PolarHBondContact OD2-NE1 2.98Å; D446-W467 VanDerWaalsContact OD2-NE1 3.14Å; I447-W467 CarbonylContact C-O 3.52Å; I447-W467 WeakPolarHBondContact CA-O 3.38Å; Q448-W467 HydrophobicContact CB-CB 3.83Å; Q448-W467 HydrophobicContact CB-CG 4.49Å; Q448-W467 HydrophobicContact CG-CB 3.97Å; Q448-W467 HydrophobicContact CG-CG 4.1Å; Q448-W467 PolarHBondContact N-O 2.66Å; Q448-W467 PolarHBondContact O-N 3.37Å; W467-Q471 CarbonylContact C-O 3.34Å; W467-Q471 WeakPolarHBondContact CA-O 3.46Å; W467-M472 HydrophobicContact CB-SD 3.9Å; W467-M472 HydrophobicContact CE3-CG 3.74Å; W467-M472 HydrophobicContact CE3-SD 3.79Å; W467-M472 HydrophobicContact CZ3-CG 4.21Å; W467-P587 HydrophobicContact CD2-CG 4.17Å; W467-P587 HydrophobicContact CE3-CG 3.57Å; W467-P587 HydrophobicContact CZ3-CG 4.03Å
468	F	97.8	Very high	96.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	118.8	176.2	-161.7	-74.6	0	0	0	109.8	I353 T357 Y358 D446 I447 G470 Q471 F473 L479 F488 V490	I353-F468 HydrophobicContact CD1-CE1 4.35Å; I353-F468 HydrophobicContact CD1-CZ 4.29Å; I353-F468 HydrophobicContact CG1-CZ 4.12Å; I353-F468 HydrophobicContact CG2-CE2 4.49Å; T357-F468 HydrophobicContact CG2-CE1 4.29Å; T357-F468 HydrophobicContact CG2-CZ 4.28Å; Y358-F468 HydrophobicContact CE2-CE2 4.35Å; Y358-F468 AromaticContact CE2-CZ 3.96Å; Y358-F468 HydrophobicContact CE2-CZ 3.96Å; D446-F468 WeakPolarHBondContact O-CA 3.36Å; I447-F468 HydrophobicContact CD1-CD2 4.39Å; I447-F468 HydrophobicContact CD1-CE2 3.85Å; I447-F468 HydrophobicContact CG1-CD2 3.82Å; I447-F468 HydrophobicContact CG1-CE2 3.71Å; I447-F468 HydrophobicContact CG1-CZ 4.47Å; I447-F468 HydrophobicContact CG2-CD2 4.31Å; F468-G470 PolarHBondContact O-N 3.25Å; F468-Q471 PolarHBondContact N-O 3.49Å; F468-Q471 PolarHBondContact O-N 3.06Å; F468-F473 HydrophobicContact CB-CD2 4.2Å; F468-F473 HydrophobicContact CB-CE2 3.91Å; F468-L479 HydrophobicContact CB-CD1 4.18Å; F468-L479 HydrophobicContact CB-CD2 4.25Å; F468-L479 HydrophobicContact CD1-CD1 4.46Å; F468-L479 HydrophobicContact CD2-CD2 3.93Å; F468-L479 HydrophobicContact CG-CD1 4.24Å; F468-L479 HydrophobicContact CG-CD2 4.16Å; F468-F488 AromaticContact CD1-CE1 3.8Å; F468-F488 HydrophobicContact CD1-CE1 3.8Å; F468-F488 AromaticContact CD1-CZ 3.69Å; F468-F488 HydrophobicContact CD1-CZ 3.69Å; F468-F488 HydrophobicContact CE1-CE1 4.08Å; F468-F488 HydrophobicContact CE1-CZ 4.23Å; F468-V490 HydrophobicContact CE1-CG1 4.1Å
469	Q	94.9	Very high	96.8	Very high	12 Å²	12	43.1 Å²	43.1	6%	0.056	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	45	58.4	179	-62.9	-163.7	-43.9	0	0	114.5	Y358 D446 Q471 F488 I491 L727	Y358-Q469 WeakPolarHBondContact OH-CG 3.33Å; D446-Q469 PolarHBondContact O-N 2.77Å; D446-Q469 VanDerWaalsContact OD2-C 3.26Å; D446-Q469 WeakPolarHBondContact OD2-CA 3.39Å; D446-Q469 PolarHBondContact OD2-N 3.21Å; Q469-Q471 VanDerWaalsContact C-N 3.31Å; Q469-Q471 PolarHBondContact O-N 2.97Å; Q469-F488 HydrophobicContact CB-CZ 4.13Å; Q469-I491 PolarHBondContact NE2-O 3.42Å; Q469-L727 HydrophobicContact CB-CD1 3.86Å; Q469-L727 HydrophobicContact CG-CD2 4.37Å
470	G	92.7	Very high	97.2	Very high	23 Å²	23	42.6 Å²	42.6	24%	0.237	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	0.4	174.2	0	0	0	0	0	115.5	D446 F468	D446-G470 PolarHBondContact OD2-N 2.64Å; F468-G470 PolarHBondContact O-N 3.25Å
471	Q	95.4	Very high	97.3	Very high	95 Å²	95	39.9 Å²	39.9	44%	0.444	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	143.8	-175.3	-59.9	-173.4	31.9	0	0	112.1	W467 F468 Q469 F473 F488	W467-Q471 CarbonylContact C-O 3.34Å; W467-Q471 WeakPolarHBondContact CA-O 3.46Å; F468-Q471 PolarHBondContact N-O 3.49Å; F468-Q471 PolarHBondContact O-N 3.06Å; Q469-Q471 VanDerWaalsContact C-N 3.31Å; Q469-Q471 PolarHBondContact O-N 2.97Å; Q471-F473 HydrophobicContact CB-CE2 3.74Å; Q471-F473 HydrophobicContact CB-CZ 3.91Å; Q471-F488 HydrophobicContact CG-CE2 4.46Å
472	M	97.5	Very high	97.4	Very high	85 Å²	85	41.5 Å²	41.5	42%	0.419	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	139	171.9	-82.1	-59.6	-63.3	0	0	111.1	W430 I466 W467 P587	W430-M472 HydrophobicContact CH2-CE 3.78Å; W430-M472 HydrophobicContact CH2-SD 3.78Å; W430-M472 HydrophobicContact CZ3-SD 4.36Å; I466-M472 CarbonylContact O-C 3.59Å; W467-M472 HydrophobicContact CB-SD 3.9Å; W467-M472 HydrophobicContact CE3-CG 3.74Å; W467-M472 HydrophobicContact CE3-SD 3.79Å; W467-M472 HydrophobicContact CZ3-CG 4.21Å; M472-P587 HydrophobicContact SD-CG 3.95Å
473	F	98.5	Very high	97.4	Very high	3 Å²	3	38 Å²	38	1%	0.013	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	143.7	172.5	-56.4	-90.1	0	0	0	109.1	G465 I466 F468 Q471 E478 L479 K482 F488	G465-F473 CarbonylContact C-O 3.45Å; G465-F473 WeakPolarHBondContact CA-O 3.04Å; I466-F473 PolarHBondContact N-O 2.66Å; I466-F473 PolarHBondContact O-N 3.38Å; F468-F473 HydrophobicContact CB-CD2 4.2Å; F468-F473 HydrophobicContact CB-CE2 3.91Å; Q471-F473 HydrophobicContact CB-CE2 3.74Å; Q471-F473 HydrophobicContact CB-CZ 3.91Å; F473-E478 HydrophobicContact CD1-CG 4.38Å; F473-L479 HydrophobicContact CB-CB 4.24Å; F473-L479 HydrophobicContact CD1-CB 4Å; F473-L479 HydrophobicContact CD1-CD1 4.28Å; F473-L479 HydrophobicContact CD2-CB 4.3Å; F473-L479 HydrophobicContact CD2-CD1 3.95Å; F473-L479 HydrophobicContact CE1-CB 4.46Å; F473-L479 HydrophobicContact CE1-CD1 3.97Å; F473-L479 HydrophobicContact CE2-CD1 3.64Å; F473-L479 HydrophobicContact CG-CB 3.9Å; F473-L479 HydrophobicContact CG-CD1 4.27Å; F473-L479 HydrophobicContact CZ-CD1 3.64Å; F473-K482 HydrophobicContact CD1-CD 4.16Å; F473-K482 HydrophobicContact CE1-CB 4.46Å; F473-K482 HydrophobicContact CE1-CD 3.79Å; F473-F488 HydrophobicContact CZ-CD1 4.43Å; F473-F488 AromaticContact CZ-CD2 3.86Å; F473-F488 HydrophobicContact CZ-CD2 3.86Å; F473-F488 HydrophobicContact CZ-CE2 4.09Å; F473-F488 HydrophobicContact CZ-CG 4.06Å; F473-F488 HydrophobicContact CZ-CZ 4.48Å
474	T	97.7	Very high	97.4	Very high	101 Å²	101	43.6 Å²	43.6	62%	0.62	23%	0.229	S	C	*	.	S	Bend	trans	-77.6	-24	179.1	60.2	0	0	0	0	112.5	E478	T474-E478 WeakPolarHBondContact CB-OE2 3.43Å; T474-E478 PolarHBondContact N-OE2 2.75Å; T474-E478 PolarHBondContact OG1-OE2 3.3Å
475	S	97.3	Very high	97.4	Very high	35 Å²	35	45.4 Å²	45.4	25%	0.245	25%	0.246	C	C	.	.	S	Bend	trans	-153.9	168.5	179.2	69	0	0	0	0	112.6	E477 E478 L479	S475-E477 VanDerWaalsContact C-N 3.3Å; S475-E478 PolarHBondContact O-N 2.9Å; S475-E478 PolarHBondContact OG-N 3.16Å; S475-E478 VanDerWaalsContact OG-N 3.09Å; S475-L479 PolarHBondContact O-N 3.04Å
476	I	97.6	Very high	97.3	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-64.9	-39.2	172.3	-63.2	-178.4	0	0	0	110.1	Q346 R349 M350 L463 I466 E478 L479 L480	Q346-I476 HydrophobicContact CB-CD1 4.04Å; Q346-I476 WeakPolarHBondContact O-CD1 3.16Å; R349-I476 HydrophobicContact CB-CD1 3.95Å; R349-I476 HydrophobicContact CB-CG2 4.1Å; M350-I476 HydrophobicContact CB-CG2 4.28Å; M350-I476 HydrophobicContact CE-CB 4.44Å; M350-I476 HydrophobicContact CE-CD1 3.72Å; M350-I476 HydrophobicContact CE-CG1 3.57Å; M350-I476 HydrophobicContact CE-CG2 4.26Å; L463-I476 HydrophobicContact CD2-CD1 4.1Å; L463-I476 HydrophobicContact CD2-CG1 3.95Å; I466-I476 HydrophobicContact CD1-CB 4.13Å; I466-I476 HydrophobicContact CD1-CD1 4.19Å; I466-I476 HydrophobicContact CD1-CG1 3.17Å; I476-E478 VanDerWaalsContact C-N 3.31Å; I476-E478 PolarHBondContact O-N 3.03Å; I476-L479 PolarHBondContact O-N 2.82Å; I476-L480 HydrophobicContact CG2-CD1 3.73Å; I476-L480 HydrophobicContact CG2-CG 4.05Å; I476-L480 WeakPolarHBondContact O-CB 3.46Å; I476-L480 WeakPolarHBondContact O-CG 3.44Å; I476-L480 PolarHBondContact O-N 2.77Å
477	E	97.7	Very high	97.2	Very high	103 Å²	103	53.7 Å²	53.7	48%	0.481	29%	0.294	S	S	.	.	H	α-helix	trans	-59	-43.2	178	-73.8	58.6	-135.5	0	0	111.6	R349 S475 S481	R349-E477 IonicContact CZ-OE1 3.93Å; R349-E477 IonicContact NE-OE1 2.68Å; R349-E477 IonicContact NH2-OE1 2.78Å; R349-E477 PolarHBondContact NH2-OE1 2.71Å; R349-E477 IonicContact NH2-OE2 2.59Å; R349-E477 PolarHBondContact NH2-OE2 2.92Å; S475-E477 VanDerWaalsContact C-N 3.3Å; E477-S481 WeakPolarHBondContact O-CB 3.35Å; E477-S481 PolarHBondContact O-N 2.76Å
478	E	98.2	Very high	97.1	Very high	47 Å²	47	53 Å²	53	22%	0.22	29%	0.291	C	S	.	.	H	α-helix	trans	-63.4	-48.8	177	-170.6	-164.9	162.9	0	0	111	F473 T474 S475 I476 L480 S481 K482	F473-E478 HydrophobicContact CD1-CG 4.38Å; T474-E478 WeakPolarHBondContact CB-OE2 3.43Å; T474-E478 PolarHBondContact N-OE2 2.75Å; T474-E478 PolarHBondContact OG1-OE2 3.3Å; S475-E478 PolarHBondContact O-N 2.9Å; S475-E478 PolarHBondContact OG-N 3.16Å; S475-E478 VanDerWaalsContact OG-N 3.09Å; I476-E478 VanDerWaalsContact C-N 3.31Å; I476-E478 PolarHBondContact O-N 3.03Å; E478-L480 PolarHBondContact O-N 2.7Å; E478-S481 PolarHBondContact O-N 3.38Å; E478-K482 HydrophobicContact CG-CD 4.26Å; E478-K482 WeakPolarHBondContact O-CB 3.06Å; E478-K482 WeakPolarHBondContact O-CG 3.49Å; E478-K482 PolarHBondContact O-N 3.32Å; E478-K482 WeakPolarHBondContact OE1-CE 3.47Å; E478-K482 IonicContact OE1-NZ 3.33Å; E478-K482 PolarHBondContact OE1-NZ 3.4Å
479	L	98.4	Very high	97	Very high	0 Å²	0	61 Å²	61	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-55.2	-50.8	177.1	169.6	62.3	0	0	0	111.2	M350 I353 F468 F473 S475 I476 K482 Y483 F488	M350-L479 HydrophobicContact CE-CD2 4.23Å; I353-L479 HydrophobicContact CD1-CD1 4.39Å; F468-L479 HydrophobicContact CB-CD1 4.18Å; F468-L479 HydrophobicContact CB-CD2 4.25Å; F468-L479 HydrophobicContact CD1-CD1 4.46Å; F468-L479 HydrophobicContact CD2-CD2 3.93Å; F468-L479 HydrophobicContact CG-CD1 4.24Å; F468-L479 HydrophobicContact CG-CD2 4.16Å; F473-L479 HydrophobicContact CB-CB 4.24Å; F473-L479 HydrophobicContact CD1-CB 4Å; F473-L479 HydrophobicContact CD1-CD1 4.28Å; F473-L479 HydrophobicContact CD2-CB 4.3Å; F473-L479 HydrophobicContact CD2-CD1 3.95Å; F473-L479 HydrophobicContact CE1-CB 4.46Å; F473-L479 HydrophobicContact CE1-CD1 3.97Å; F473-L479 HydrophobicContact CE2-CD1 3.64Å; F473-L479 HydrophobicContact CG-CB 3.9Å; F473-L479 HydrophobicContact CG-CD1 4.27Å; F473-L479 HydrophobicContact CZ-CD1 3.64Å; S475-L479 PolarHBondContact O-N 3.04Å; I476-L479 PolarHBondContact O-N 2.82Å; L479-K482 PolarHBondContact O-N 3.19Å; L479-Y483 VanDerWaalsContact O-CB 3.29Å; L479-Y483 WeakPolarHBondContact O-CB 3.46Å; L479-Y483 PolarHBondContact O-N 3.27Å; L479-F488 HydrophobicContact CD1-CD1 3.97Å; L479-F488 HydrophobicContact CD1-CE1 3.94Å
480	L	98.1	Very high	97	Very high	37 Å²	37	61.7 Å²	61.7	19%	0.194	33%	0.331	C	S	.	.	H	α-helix	trans	-67.9	-38.3	-178.5	-67	178.9	0	0	0	112	I353 I476 E478 Y483 H484	I353-L480 HydrophobicContact CG2-CD2 4.12Å; I476-L480 HydrophobicContact CG2-CD1 3.73Å; I476-L480 HydrophobicContact CG2-CG 4.05Å; I476-L480 WeakPolarHBondContact O-CB 3.46Å; I476-L480 WeakPolarHBondContact O-CG 3.44Å; I476-L480 PolarHBondContact O-N 2.77Å; E478-L480 PolarHBondContact O-N 2.7Å; L480-Y483 PolarHBondContact O-N 3.37Å; L480-H484 WeakPolarHBondContact O-CB 3.31Å; L480-H484 PolarHBondContact O-CD2 3.44Å; L480-H484 VanDerWaalsContact O-CG 3.28Å; L480-H484 PolarHBondContact O-N 3.21Å
481	S	98.1	Very high	97.1	Very high	78 Å²	78	65 Å²	65	55%	0.545	34%	0.343	S	S	.	.	H	α-helix	trans	-61.5	-46.9	175.5	-178.4	0	0	0	0	111.7	E477 E478 H484 S485	E477-S481 WeakPolarHBondContact O-CB 3.35Å; E477-S481 PolarHBondContact O-N 2.76Å; E478-S481 PolarHBondContact O-N 3.38Å; S481-H484 PolarHBondContact O-N 3.22Å; S481-S485 WeakPolarHBondContact O-CB 3.38Å; S481-S485 PolarHBondContact O-N 2.66Å; S481-S485 PolarHBondContact O-OG 3.48Å
482	K	98.3	Very high	96.9	Very high	48 Å²	48	67.3 Å²	67.3	21%	0.209	35%	0.351	C	S	.	.	H	α-helix	trans	-65.6	-37.7	176.2	-74	-177.7	166.8	170.4	0	112.3	F473 E478 L479 S485 G486 E487 F488	F473-K482 HydrophobicContact CD1-CD 4.16Å; F473-K482 HydrophobicContact CE1-CB 4.46Å; F473-K482 HydrophobicContact CE1-CD 3.79Å; E478-K482 HydrophobicContact CG-CD 4.26Å; E478-K482 WeakPolarHBondContact O-CB 3.06Å; E478-K482 WeakPolarHBondContact O-CG 3.49Å; E478-K482 PolarHBondContact O-N 3.32Å; E478-K482 WeakPolarHBondContact OE1-CE 3.47Å; E478-K482 IonicContact OE1-NZ 3.33Å; E478-K482 PolarHBondContact OE1-NZ 3.4Å; L479-K482 PolarHBondContact O-N 3.19Å; K482-S485 WeakPolarHBondContact CA-OG 3.05Å; K482-S485 PolarHBondContact O-OG 3.15Å; K482-S485 VanDerWaalsContact O-OG 3.06Å; K482-G486 PolarHBondContact O-N 2.89Å; K482-E487 HydrophobicContact CB-CB 4.34Å; K482-E487 VanDerWaalsContact CE-OE1 3.27Å; K482-E487 WeakPolarHBondContact CE-OE1 3.11Å; K482-E487 IonicContact NZ-OE1 3.68Å; K482-E487 PolarHBondContact O-N 3.31Å; K482-F488 HydrophobicContact CB-CB 3.85Å; K482-F488 PolarHBondContact O-N 3.45Å
483	Y	97.9	Very high	96.6	Very high	40 Å²	40	64.4 Å²	64.4	16%	0.157	34%	0.337	C	S	.	.	H	α-helix	trans	-64.7	-48.6	174.1	167.8	-100.4	0	0	0	112	I353 E356 L479 L480 S485 G486 F488 V490	I353-Y483 HydrophobicContact CD1-CD1 4.25Å; I353-Y483 HydrophobicContact CD1-CD2 3.52Å; I353-Y483 HydrophobicContact CD1-CE2 4.05Å; I353-Y483 HydrophobicContact CD1-CG 3.63Å; I353-Y483 HydrophobicContact CG1-CD2 4.07Å; I353-Y483 HydrophobicContact CG1-CE2 4.06Å; I353-Y483 HydrophobicContact CG1-CG 4.4Å; E356-Y483 PolarHBondContact OE2-OH 3.39Å; L479-Y483 VanDerWaalsContact O-CB 3.29Å; L479-Y483 WeakPolarHBondContact O-CB 3.46Å; L479-Y483 PolarHBondContact O-N 3.27Å; L480-Y483 PolarHBondContact O-N 3.37Å; Y483-S485 PolarHBondContact O-N 2.91Å; Y483-G486 PolarHBondContact O-N 3.35Å; Y483-G486 VanDerWaalsContact O-N 3.14Å; Y483-F488 WeakPolarHBondContact CA-O 3.02Å; Y483-V490 HydrophobicContact CD2-CG1 4.03Å; Y483-V490 HydrophobicContact CE2-CG1 4.12Å; Y483-V490 HydrophobicContact CE2-CG2 4.22Å
484	H	97.1	Very high	96.2	Very high	141 Å²	141	67.3 Å²	67.3	65%	0.653	36%	0.356	S	S	*	.	H	α-helix	trans	-69.8	-31.7	-178.5	-71	-47.6	0	0	0	113.7	L480 S481 G486	L480-H484 WeakPolarHBondContact O-CB 3.31Å; L480-H484 PolarHBondContact O-CD2 3.44Å; L480-H484 VanDerWaalsContact O-CG 3.28Å; L480-H484 PolarHBondContact O-N 3.21Å; S481-H484 PolarHBondContact O-N 3.22Å; H484-G486 PolarHBondContact O-N 3.11Å
485	S	97.5	Very high	95.9	Very high	81 Å²	81	65.5 Å²	65.5	57%	0.566	34%	0.339	S	S	*	.	H	α-helix	trans	-74.3	-13.5	172.9	58.4	0	0	0	0	113.4	S481 K482 Y483 E487	S481-S485 WeakPolarHBondContact O-CB 3.38Å; S481-S485 PolarHBondContact O-N 2.66Å; S481-S485 PolarHBondContact O-OG 3.48Å; K482-S485 WeakPolarHBondContact CA-OG 3.05Å; K482-S485 PolarHBondContact O-OG 3.15Å; K482-S485 VanDerWaalsContact O-OG 3.06Å; Y483-S485 PolarHBondContact O-N 2.91Å; S485-E487 VanDerWaalsContact C-N 3.29Å
486	G	96.1	Very high	95.4	Very high	37 Å²	37	67.7 Å²	67.7	38%	0.381	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	5.3	-176.4	0	0	0	0	0	114.5	K482 Y483 H484 F488	K482-G486 PolarHBondContact O-N 2.89Å; Y483-G486 PolarHBondContact O-N 3.35Å; Y483-G486 VanDerWaalsContact O-N 3.14Å; H484-G486 PolarHBondContact O-N 3.11Å; G486-F488 VanDerWaalsContact C-N 3.33Å
487	E	97	Very high	94.9	Very high	138 Å²	138	70.2 Å²	70.2	65%	0.645	36%	0.361	S	S	*	.	S	Bend	trans	-63.9	-40.3	171.9	-173.6	-174.2	153.5	0	0	110.8	K482 S485	K482-E487 HydrophobicContact CB-CB 4.34Å; K482-E487 VanDerWaalsContact CE-OE1 3.27Å; K482-E487 WeakPolarHBondContact CE-OE1 3.11Å; K482-E487 IonicContact NZ-OE1 3.68Å; K482-E487 PolarHBondContact O-N 3.31Å; S485-E487 VanDerWaalsContact C-N 3.29Å
488	F	96.5	Very high	94.3	Very high	7 Å²	7	66.2 Å²	66.2	3%	0.031	34%	0.343	C	S	.	.	S	Bend	trans	-107.6	122.2	174.4	179.1	-105.4	0	0	0	110.5	I353 F468 Q469 Q471 F473 L479 K482 Y483 G486 V490	I353-F488 HydrophobicContact CD1-CE1 4.33Å; F468-F488 AromaticContact CD1-CE1 3.8Å; F468-F488 HydrophobicContact CD1-CE1 3.8Å; F468-F488 AromaticContact CD1-CZ 3.69Å; F468-F488 HydrophobicContact CD1-CZ 3.69Å; F468-F488 HydrophobicContact CE1-CE1 4.08Å; F468-F488 HydrophobicContact CE1-CZ 4.23Å; Q469-F488 HydrophobicContact CB-CZ 4.13Å; Q471-F488 HydrophobicContact CG-CE2 4.46Å; F473-F488 HydrophobicContact CZ-CD1 4.43Å; F473-F488 AromaticContact CZ-CD2 3.86Å; F473-F488 HydrophobicContact CZ-CD2 3.86Å; F473-F488 HydrophobicContact CZ-CE2 4.09Å; F473-F488 HydrophobicContact CZ-CG 4.06Å; F473-F488 HydrophobicContact CZ-CZ 4.48Å; L479-F488 HydrophobicContact CD1-CD1 3.97Å; L479-F488 HydrophobicContact CD1-CE1 3.94Å; K482-F488 HydrophobicContact CB-CB 3.85Å; K482-F488 PolarHBondContact O-N 3.45Å; Y483-F488 WeakPolarHBondContact CA-O 3.02Å; G486-F488 VanDerWaalsContact C-N 3.33Å; F488-V490 HydrophobicContact CD1-CG1 4.39Å; F488-V490 HydrophobicContact CE1-CG1 3.73Å; F488-V490 HydrophobicContact CZ-CG1 4.47Å
489	K	95	Very high	93.7	Very high	168 Å²	168	64 Å²	64	73%	0.73	33%	0.332	S	S	*	.			trans	-112.6	128.6	178	-67.1	-179.2	-177.8	175.1	0	110
490	V	95.2	Very high	92.6	Very high	27 Å²	27	69.1 Å²	69.1	16%	0.164	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-78.2	143.1	178.4	-63.2	0	0	0	0	111.8	I353 T357 F468 Y483 F488	I353-V490 HydrophobicContact CD1-CG1 3.64Å; I353-V490 HydrophobicContact CG1-CG1 3.65Å; T357-V490 HydrophobicContact CG2-CB 4.38Å; T357-V490 WeakPolarHBondContact OG1-CG1 3.41Å; F468-V490 HydrophobicContact CE1-CG1 4.1Å; Y483-V490 HydrophobicContact CD2-CG1 4.03Å; Y483-V490 HydrophobicContact CE2-CG1 4.12Å; Y483-V490 HydrophobicContact CE2-CG2 4.22Å; F488-V490 HydrophobicContact CD1-CG1 4.39Å; F488-V490 HydrophobicContact CE1-CG1 3.73Å; F488-V490 HydrophobicContact CZ-CG1 4.47Å
491	I	93.2	Very high	91.5	Very high	92 Å²	92	71.6 Å²	71.6	47%	0.472	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-99.5	118	170.3	-57.9	174	0	0	0	107.5	T357 Q469 H493	T357-I491 WeakPolarHBondContact CG2-O 3.49Å; Q469-I491 PolarHBondContact NE2-O 3.42Å; I491-H493 PolarHBondContact O-N 3.18Å
492	K	93.2	Very high	90.6	Very high	145 Å²	145	73.2 Å²	73.2	63%	0.63	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-66.1	126.4	179.4	-66.1	-174.1	179.7	180	0	110.4	T357	T357-K492 CarbonylContact O-C 3.59Å; T357-K492 WeakPolarHBondContact O-CA 3.49Å
493	H	91	Very high	89.6	Confident	23 Å²	23	73 Å²	73	11%	0.106	37%	0.369	C	S	.	.			trans	-131.2	74.1	-176.8	-168.3	-83	0	0	0	110.3	T357 Y358 R435 I491 P744	T357-H493 PolarHBondContact O-N 2.96Å; Y358-H493 HydrophobicContact CD1-CB 3.94Å; Y358-H493 HydrophobicContact CE1-CB 3.9Å; R435-H493 PolarHBondContact NH2-O 2.95Å; I491-H493 PolarHBondContact O-N 3.18Å; H493-P744 WeakPolarHBondContact CE1-CG 3.42Å; H493-P744 VanDerWaalsContact NE2-CB 3.33Å; H493-P744 WeakPolarHBondContact NE2-CB 3.21Å; H493-P744 WeakPolarHBondContact NE2-CD 3.46Å; H493-P744 WeakPolarHBondContact NE2-CG 3.33Å
494	P	89.8	Confident	88.6	Confident	64 Å²	64	77 Å²	77	42%	0.416	39%	0.387	S	S	.	.			trans	-67.6	173	-180	31.6	-36.3	0	0	0	111.8	R435	R435-P494 VanDerWaalsContact NH2-C 3.25Å
495	F	90.5	Very high	87.8	Confident	63 Å²	63	73.9 Å²	73.9	28%	0.276	38%	0.38	S	S	.	.			trans	-68.5	136.4	175.8	175.4	-107.2	0	0	0	111.1	P407 R435 V437 Y443 D497	P407-F495 HydrophobicContact CB-CB 3.95Å; P407-F495 HydrophobicContact CB-CD1 3.51Å; P407-F495 HydrophobicContact CB-CD2 3.61Å; P407-F495 HydrophobicContact CB-CE1 3.84Å; P407-F495 HydrophobicContact CB-CE2 3.94Å; P407-F495 HydrophobicContact CB-CG 3.38Å; P407-F495 HydrophobicContact CB-CZ 4.05Å; P407-F495 HydrophobicContact CG-CD1 4.16Å; P407-F495 HydrophobicContact CG-CE1 4.34Å; P407-F495 HydrophobicContact CG-CG 4.46Å; R435-F495 HydrophobicContact CG-CD2 4.46Å; V437-F495 HydrophobicContact CB-CE2 4.4Å; V437-F495 HydrophobicContact CG1-CE2 3.92Å; V437-F495 HydrophobicContact CG1-CZ 4.17Å; V437-F495 HydrophobicContact CG2-CE2 3.99Å; Y443-F495 HydrophobicContact CD1-CD2 4.24Å; Y443-F495 AromaticContact CD1-CE2 3.69Å; Y443-F495 HydrophobicContact CD1-CE2 3.69Å; Y443-F495 HydrophobicContact CE1-CD2 4.38Å; Y443-F495 AromaticContact CE1-CE2 3.53Å; Y443-F495 HydrophobicContact CE1-CE2 3.53Å; Y443-F495 HydrophobicContact CE1-CZ 4.17Å; F495-D497 HydrophobicContact CE1-CB 3.97Å; F495-D497 HydrophobicContact CZ-CB 4.15Å
496	I	87.3	Confident	87	Confident	81 Å²	81	71.5 Å²	71.5	42%	0.415	37%	0.368	S	S	.	.			trans	-124.5	122.8	173.5	-60.2	174.8	0	0	0	106.7	Y443 M498	Y443-I496 VanDerWaalsContact CE1-O 3.3Å; Y443-I496 WeakPolarHBondContact CE1-O 3.39Å; I496-M498 PolarHBondContact O-N 2.76Å
497	D	86.3	Confident	86.2	Confident	55 Å²	55	75.8 Å²	75.8	29%	0.294	39%	0.389	S	S	.	.			trans	-76.4	101.1	174.4	-179.4	9	0	0	0	110.2	K404 F495 Y499 H500	K404-D497 IonicContact NZ-OD1 3.89Å; K404-D497 IonicContact NZ-OD2 3.78Å; K404-D497 PolarHBondContact NZ-OD2 3.1Å; F495-D497 HydrophobicContact CE1-CB 3.97Å; F495-D497 HydrophobicContact CZ-CB 4.15Å; D497-Y499 PolarHBondContact OD1-N 3.12Å; D497-H500 PolarHBondContact OD1-N 3.15Å; D497-H500 WeakPolarHBondContact OD2-CA 3.34Å; D497-H500 WeakPolarHBondContact OD2-CB 3.21Å
498	M	86.5	Confident	85.3	Confident	18 Å²	18	77.2 Å²	77.2	9%	0.089	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-26.6	-173.3	-58.7	-170.4	-66.9	0	0	113	Q442 Y443 I496 I742 I745	Q442-M498 HydrophobicContact CB-CE 4.34Å; Q442-M498 WeakPolarHBondContact O-CE 3.22Å; Y443-M498 HydrophobicContact CD1-CE 3.63Å; Y443-M498 HydrophobicContact CD2-CE 3.92Å; Y443-M498 HydrophobicContact CE1-CB 4.33Å; Y443-M498 HydrophobicContact CE1-CE 3.41Å; Y443-M498 VanDerWaalsContact CE1-CE 3.41Å; Y443-M498 HydrophobicContact CE1-CG 3.89Å; Y443-M498 HydrophobicContact CE1-SD 4.34Å; Y443-M498 HydrophobicContact CE2-CE 3.73Å; Y443-M498 HydrophobicContact CG-CE 3.87Å; Y443-M498 VanDerWaalsContact CZ-CE 3.47Å; Y443-M498 PolarHBondContact OH-N 2.84Å; I496-M498 PolarHBondContact O-N 2.76Å; M498-I742 HydrophobicContact CB-CG2 3.87Å; M498-I742 HydrophobicContact CG-CG2 3.53Å; M498-I742 HydrophobicContact SD-CG2 3.61Å; M498-I745 HydrophobicContact CE-CD1 3.72Å; M498-I745 HydrophobicContact CE-CG1 4.06Å; M498-I745 HydrophobicContact SD-CD1 3.45Å; M498-I745 WeakPolarHBondContact SD-CD1 3.32Å; M498-I745 HydrophobicContact SD-CG1 3.69Å
499	Y	85.3	Confident	84.2	Confident	2 Å²	2	83 Å²	83	1%	0.008	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	41.3	-168.7	-54.4	-52.3	0	0	0	113.1	P439 Q442 Y443 D497 N501 Q502 L503 L942 P943	P439-Y499 HydrophobicContact CG-CD2 4.46Å; P439-Y499 HydrophobicContact CG-CE2 4.12Å; Q442-Y499 HydrophobicContact CB-CE2 4.47Å; Q442-Y499 PolarHBondContact OE1-OH 2.86Å; Y443-Y499 HydrophobicContact CE2-CD2 4.23Å; Y443-Y499 HydrophobicContact CE2-CE2 4.21Å; D497-Y499 PolarHBondContact OD1-N 3.12Å; Y499-N501 PolarHBondContact O-N 2.94Å; Y499-Q502 VanDerWaalsContact CD1-OE1 3.31Å; Y499-Q502 PolarHBondContact O-N 2.9Å; Y499-Q502 VanDerWaalsContact O-N 3.09Å; Y499-L503 HydrophobicContact CD2-CD1 4.35Å; Y499-L942 HydrophobicContact CE1-CB 4.19Å; Y499-P943 HydrophobicContact CD1-CB 3.81Å; Y499-P943 HydrophobicContact CD2-CB 4.12Å; Y499-P943 HydrophobicContact CE1-CB 3.73Å; Y499-P943 HydrophobicContact CE2-CB 4.03Å; Y499-P943 HydrophobicContact CG-CB 4Å
500	H	75.7	Confident	82.4	Confident	107 Å²	107	82.7 Å²	82.7	50%	0.495	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-30.9	-165.4	74.2	-75.4	0	0	0	115.1	K404 D497	K404-H500 PolarHBondContact NZ-O 3.09Å; D497-H500 PolarHBondContact OD1-N 3.15Å; D497-H500 WeakPolarHBondContact OD2-CA 3.34Å; D497-H500 WeakPolarHBondContact OD2-CB 3.21Å
501	N	75	Confident	80.5	Confident	88 Å²	88	86.5 Å²	86.5	47%	0.471	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-8.5	-177.6	-78.4	-22.3	0	0	0	115.8	Y499 K504	Y499-N501 PolarHBondContact O-N 2.94Å; N501-K504 WeakPolarHBondContact O-CE 3.27Å; N501-K504 PolarHBondContact OD1-NZ 3.49Å
502	Q	77.9	Confident	78.4	Confident	113 Å²	113	85.1 Å²	85.1	53%	0.528	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-20.8	-169.1	-68.9	170.9	-47.9	0	0	113.6	Y499 K504 P943	Y499-Q502 VanDerWaalsContact CD1-OE1 3.31Å; Y499-Q502 PolarHBondContact O-N 2.9Å; Y499-Q502 VanDerWaalsContact O-N 3.09Å; Q502-K504 PolarHBondContact O-N 3.47Å; Q502-P943 HydrophobicContact CB-CG 4.26Å
503	L	78	Confident	76.3	Confident	44 Å²	44	84.3 Å²	84.3	23%	0.23	46%	0.461	C	S	.	.	S	Bend	trans	-99.1	45.1	-179.4	-58.3	175.7	0	0	0	112.3	T438 Y499	T438-L503 HydrophobicContact CG2-CD1 4.15Å; T438-L503 WeakPolarHBondContact O-CD1 3.34Å; Y499-L503 HydrophobicContact CD2-CD1 4.35Å
504	K	77.3	Confident	74.1	Confident	122 Å²	122	88.3 Å²	88.3	53%	0.53	48%	0.479	S	S	.	.	S	Bend	trans	-145.2	161.3	177.4	63.7	-176.4	-178.3	-167.3	0	109.6	N501 Q502 G506	N501-K504 WeakPolarHBondContact O-CE 3.27Å; N501-K504 PolarHBondContact OD1-NZ 3.49Å; Q502-K504 PolarHBondContact O-N 3.47Å; K504-G506 PolarHBondContact O-N 2.78Å
505	P	79.6	Confident	71.9	Confident	76 Å²	76	91.9 Å²	91.9	49%	0.494	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-49.5	143.4	170.9	-27.1	35.5	0	0	0	111.3	Q509	P505-Q509 HydrophobicContact CB-CB 3.88Å
506	G	80	Confident	69.7	Low	31 Å²	31	95.3 Å²	95.3	32%	0.32	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-62.1	163	180	0	0	0	0	0	112	K504 N508 Q509	K504-G506 PolarHBondContact O-N 2.78Å; G506-N508 PolarHBondContact O-N 2.77Å; G506-Q509 WeakPolarHBondContact O-CB 3.31Å; G506-Q509 PolarHBondContact O-N 3.4Å; G506-Q509 VanDerWaalsContact O-N 3.07Å
507	P	79.8	Confident	67.5	Low	127 Å²	127	96.9 Å²	96.9	83%	0.825	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	136.5	172.4	-23.8	33.3	0	0	0	111.1	Q509	P507-Q509 PolarHBondContact O-N 2.6Å
508	N	78.2	Confident	65.5	Low	169 Å²	169	101.6 Å²	101.6	90%	0.904	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	0.4	-178.3	-48.8	-38.1	0	0	0	116.7	G506 Q510	G506-N508 PolarHBondContact O-N 2.77Å; N508-Q510 PolarHBondContact O-N 3.08Å
509	Q	72.7	Confident	63.4	Low	129 Å²	129	108.1 Å²	108.1	60%	0.603	57%	0.57	S	S	*	*			trans	-76.5	106.1	164.4	-65.9	-176.7	-21.2	0	0	107.8	P505 G506 P507 S511	P505-Q509 HydrophobicContact CB-CB 3.88Å; G506-Q509 WeakPolarHBondContact O-CB 3.31Å; G506-Q509 PolarHBondContact O-N 3.4Å; G506-Q509 VanDerWaalsContact O-N 3.07Å; P507-Q509 PolarHBondContact O-N 2.6Å; Q509-S511 PolarHBondContact O-N 3.45Å
510	Q	59	Low	61	Low	160 Å²	160	114.7 Å²	114.7	75%	0.748	60%	0.599	S	S	*	*			trans	-62.3	132.3	164.8	-72.3	-178.3	-2.3	0	0	107	N508 T512	N508-Q510 PolarHBondContact O-N 3.08Å; Q510-T512 HydrophobicContact CB-CG2 4.07Å; Q510-T512 PolarHBondContact O-N 3.34Å; Q510-T512 PolarHBondContact O-OG1 2.92Å
511	S	54.2	Low	59.3	Low	108 Å²	108	113.3 Å²	113.3	76%	0.755	60%	0.601	S	S	*	*			trans	-68.9	65.5	160.1	176.9	0	0	0	0	107.4	Q509 T513	Q509-S511 PolarHBondContact O-N 3.45Å; S511-T513 PolarHBondContact O-N 2.94Å
512	T	49.9	Very low	57.6	Low	62 Å²	62	114.6 Å²	114.6	38%	0.38	61%	0.608	S	S	.	*			trans	-62.5	108.8	164	29.4	0	0	0	0	104.7	Q510 H514	Q510-T512 HydrophobicContact CB-CG2 4.07Å; Q510-T512 PolarHBondContact O-N 3.34Å; Q510-T512 PolarHBondContact O-OG1 2.92Å; T512-H514 PolarHBondContact O-CD2 2.87Å; T512-H514 PolarHBondContact O-N 3.31Å; T512-H514 PolarHBondContact OG1-CD2 3.03Å; T512-H514 PolarHBondContact OG1-CE1 2.88Å; T512-H514 PolarHBondContact OG1-NE2 2.96Å
513	T	47.4	Very low	55.8	Low	129 Å²	129	112.3 Å²	112.3	79%	0.791	61%	0.605	S	S	*	*			trans	-54.2	84.8	152.4	42.8	0	0	0	0	105.3	S511 I515	S511-T513 PolarHBondContact O-N 2.94Å; T513-I515 VanDerWaalsContact C-N 3.29Å; T513-I515 PolarHBondContact O-N 3.21Å
514	H	45.7	Very low	53.7	Low	107 Å²	107	118.7 Å²	118.7	50%	0.495	63%	0.634	S	S	.	*			trans	-66.7	99.3	-175.8	-87.3	-75.9	0	0	0	106.1	T512 N516 F518	T512-H514 PolarHBondContact O-CD2 2.87Å; T512-H514 PolarHBondContact O-N 3.31Å; T512-H514 PolarHBondContact OG1-CD2 3.03Å; T512-H514 PolarHBondContact OG1-CE1 2.88Å; T512-H514 PolarHBondContact OG1-NE2 2.96Å; H514-N516 PolarHBondContact O-N 3.36Å; H514-F518 HydrophobicContact CB-CD2 4.22Å; H514-F518 HydrophobicContact CB-CE2 4.15Å; H514-F518 AromaticContact CD2-CE2 3.77Å; H514-F518 AromaticContact CE1-CE2 3.63Å; H514-F518 AromaticContact CG-CE2 3.58Å; H514-F518 AromaticContact ND1-CE2 3.5Å; H514-F518 WeakPolarHBondContact ND1-CE2 3.26Å; H514-F518 AromaticContact NE2-CE2 3.8Å
515	I	42.9	Very low	51.8	Low	139 Å²	139	118 Å²	118	71%	0.713	64%	0.639	S	S	*	*			trans	-32.8	126.5	143.3	-62.9	166.5	0	0	0	105.8	T513 E517	T513-I515 VanDerWaalsContact C-N 3.29Å; T513-I515 PolarHBondContact O-N 3.21Å; I515-E517 HydrophobicContact CG2-CG 4.14Å; I515-E517 PolarHBondContact O-N 3.17Å
516	N	45.5	Very low	49.8	Very low	135 Å²	135	116.7 Å²	116.7	72%	0.722	64%	0.635	S	S	*	*	S	Bend	trans	-58.5	47	-174.5	-76.3	-32.5	0	0	0	114.4	H514 M519	H514-N516 PolarHBondContact O-N 3.36Å; N516-M519 PolarHBondContact O-N 3.08Å
517	E	40.4	Very low	47.5	Very low	114 Å²	114	123 Å²	123	53%	0.533	66%	0.661	S	S	.	*	G	3₁₀ helix	trans	-74.8	-16.3	170.4	-65.1	-157.8	130.9	0	0	111.7	I515 M519 K520	I515-E517 HydrophobicContact CG2-CG 4.14Å; I515-E517 PolarHBondContact O-N 3.17Å; E517-M519 PolarHBondContact O-N 3.21Å; E517-K520 HydrophobicContact CB-CD 4.39Å; E517-K520 HydrophobicContact CG-CD 4.23Å; E517-K520 VanDerWaalsContact O-CB 3.31Å; E517-K520 WeakPolarHBondContact O-CB 3.33Å; E517-K520 PolarHBondContact O-N 2.85Å; E517-K520 IonicContact OE1-NZ 3.74Å; E517-K520 PolarHBondContact OE1-NZ 3.46Å
518	F	44.1	Very low	45.4	Very low	153 Å²	153	127.6 Å²	127.6	67%	0.671	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-65.4	-16.4	171.1	-77.3	-73.6	0	0	0	113.6	H514	H514-F518 HydrophobicContact CB-CD2 4.22Å; H514-F518 HydrophobicContact CB-CE2 4.15Å; H514-F518 AromaticContact CD2-CE2 3.77Å; H514-F518 AromaticContact CE1-CE2 3.63Å; H514-F518 AromaticContact CG-CE2 3.58Å; H514-F518 AromaticContact ND1-CE2 3.5Å; H514-F518 WeakPolarHBondContact ND1-CE2 3.26Å; H514-F518 AromaticContact NE2-CE2 3.8Å
519	M	41.8	Very low	43.8	Very low	155 Å²	155	125.9 Å²	125.9	76%	0.764	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-91.4	-4.2	168.8	-71.5	-161.4	-179.8	0	0	113.5	N516 E517 S521	N516-M519 PolarHBondContact O-N 3.08Å; E517-M519 PolarHBondContact O-N 3.21Å; M519-S521 PolarHBondContact O-N 3.44Å
520	K	35.8	Very low	42.7	Very low	141 Å²	141	124.8 Å²	124.8	61%	0.613	65%	0.654	S	S	*	*	S	Bend	trans	-72.1	90.8	169.3	-74.5	-179.6	179.3	171	0	108.2	E517	E517-K520 HydrophobicContact CB-CD 4.39Å; E517-K520 HydrophobicContact CG-CD 4.23Å; E517-K520 VanDerWaalsContact O-CB 3.31Å; E517-K520 WeakPolarHBondContact O-CB 3.33Å; E517-K520 PolarHBondContact O-N 2.85Å; E517-K520 IonicContact OE1-NZ 3.74Å; E517-K520 PolarHBondContact OE1-NZ 3.46Å
521	S	40.9	Very low	42.7	Very low	77 Å²	77	120.2 Å²	120.2	54%	0.538	63%	0.634	S	S	.	*			trans	48.8	89.5	143.8	-166.1	0	0	0	0	114.8	M519 S523	M519-S521 PolarHBondContact O-N 3.44Å; S521-S523 PolarHBondContact O-N 2.94Å; S521-S523 WeakPolarHBondContact OG-CB 3.29Å; S521-S523 PolarHBondContact OG-N 3.41Å; S521-S523 PolarHBondContact OG-OG 3.26Å
522	N	38.8	Very low	43.9	Very low	115 Å²	115	118.8 Å²	118.8	62%	0.615	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	23.9	156.8	-89.9	-19.6	0	0	0	113.1	E524	N522-E524 VanDerWaalsContact C-N 3.33Å; N522-E524 PolarHBondContact O-N 3.37Å
523	S	39.5	Very low	45.9	Very low	65 Å²	65	116.3 Å²	116.3	46%	0.455	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.2	-24.8	179.6	63.4	0	0	0	0	113.4	S521	S521-S523 PolarHBondContact O-N 2.94Å; S521-S523 WeakPolarHBondContact OG-CB 3.29Å; S521-S523 PolarHBondContact OG-N 3.41Å; S521-S523 PolarHBondContact OG-OG 3.26Å
524	E	35.1	Very low	48	Very low	179 Å²	179	115.7 Å²	115.7	84%	0.836	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-12.2	-170.3	-69.3	-171.4	172.3	0	0	115.3	N522	N522-E524 VanDerWaalsContact C-N 3.33Å; N522-E524 PolarHBondContact O-N 3.37Å
525	T	35.8	Very low	50.2	Low	106 Å²	106	111.1 Å²	111.1	65%	0.65	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.4	-3.2	172.6	51.3	0	0	0	0	114.3	N527	T525-N527 VanDerWaalsContact C-N 3.31Å; T525-N527 PolarHBondContact O-N 3.48Å
526	A	37.6	Very low	52.5	Low	49 Å²	49	109 Å²	109	41%	0.405	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.8	-8	-178.4	0	0	0	0	0	114.9	R528	A526-R528 VanDerWaalsContact C-N 3.3Å; A526-R528 PolarHBondContact O-N 2.81Å
527	N	32.8	Very low	54.6	Low	163 Å²	163	108.3 Å²	108.3	87%	0.872	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	11.4	177	-97.1	-5.8	0	0	0	114.5	T525	T525-N527 VanDerWaalsContact C-N 3.31Å; T525-N527 PolarHBondContact O-N 3.48Å
528	R	35.6	Very low	57.2	Low	225 Å²	225	103.2 Å²	103.2	85%	0.849	52%	0.523	S	S	*	.	S	Bend	trans	-115.3	117.4	171.8	-79.1	-174.9	177.6	172.9	-0.1	110.2	A526	A526-R528 VanDerWaalsContact C-N 3.3Å; A526-R528 PolarHBondContact O-N 2.81Å
529	K	43.4	Very low	59.6	Low	133 Å²	133	97.2 Å²	97.2	58%	0.578	50%	0.496	S	S	*	.	S	Bend	trans	85	119.5	-172.4	-59.6	178.4	167.5	-169.3	0	113.5	N531 E644	K529-N531 PolarHBondContact O-N 2.98Å; K529-E644 IonicContact NZ-OE2 2.74Å; K529-E644 PolarHBondContact NZ-OE2 3.3Å
530	S	51.4	Low	62.2	Low	106 Å²	106	89.8 Å²	89.8	74%	0.741	46%	0.459	S	S	*	.			trans	-53.3	96.9	148.1	55.4	0	0	0	0	107	L532	S530-L532 PolarHBondContact O-N 3.33Å
531	N	59	Low	65	Low	64 Å²	64	86.6 Å²	86.6	34%	0.342	45%	0.447	S	S	.	.			trans	-56.6	111.7	174.6	-92.4	-16.2	0	0	0	107	K529 I533	K529-N531 PolarHBondContact O-N 2.98Å; N531-I533 PolarHBondContact O-N 2.82Å; N531-I533 VanDerWaalsContact O-N 3.1Å
532	L	78.7	Confident	67.5	Low	78 Å²	78	83.1 Å²	83.1	41%	0.408	42%	0.422	S	S	.	.			trans	-64.6	-9.4	176	-66.4	172.2	0	0	0	112	S530 H534 Y542	S530-L532 PolarHBondContact O-N 3.33Å; L532-H534 PolarHBondContact O-CD2 2.87Å; L532-H534 PolarHBondContact O-N 3.25Å; L532-Y542 HydrophobicContact CB-CD2 3.83Å; L532-Y542 HydrophobicContact CB-CE2 3.8Å; L532-Y542 HydrophobicContact CD1-CE2 4.37Å; L532-Y542 WeakPolarHBondContact O-CA 3.13Å
533	I	91	Very high	69.8	Low	9 Å²	9	79.8 Å²	79.8	5%	0.046	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	103.1	179	-49.1	172.2	0	0	0	108.8	N531 V535 I540 Y542 I619 L642 E644 L686	N531-I533 PolarHBondContact O-N 2.82Å; N531-I533 VanDerWaalsContact O-N 3.1Å; I533-V535 HydrophobicContact CG2-CG2 3.99Å; I533-I540 HydrophobicContact CG2-CG2 4.18Å; I533-Y542 HydrophobicContact CG1-CD2 3.62Å; I533-Y542 HydrophobicContact CG1-CE2 4.12Å; I533-I619 HydrophobicContact CB-CD1 3.93Å; I533-I619 HydrophobicContact CD1-CD1 4.43Å; I533-I619 HydrophobicContact CG2-CD1 3.81Å; I533-L642 HydrophobicContact CG2-CD1 4.23Å; I533-E644 HydrophobicContact CD1-CG 4.26Å; I533-L686 HydrophobicContact CD1-CD1 3.77Å; I533-L686 HydrophobicContact CG1-CD1 4.1Å
534	H	91.8	Very high	72.3	Confident	116 Å²	116	78.1 Å²	78.1	54%	0.537	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	123.7	171.1	-59	-80.4	0	0	0	109.7	L532 Q541	L532-H534 PolarHBondContact O-CD2 2.87Å; L532-H534 PolarHBondContact O-N 3.25Å; H534-Q541 HydrophobicContact CB-CB 4.26Å; H534-Q541 PolarHBondContact N-O 2.89Å; H534-Q541 PolarHBondContact O-N 2.77Å
535	V	92.8	Very high	75.2	Confident	12 Å²	12	69.8 Å²	69.8	7%	0.073	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	120.3	179.8	-177.4	0	0	0	0	109.4	I164 I533 I540 I619 L621 L642	I164-V535 HydrophobicContact CG2-CB 4.07Å; I533-V535 HydrophobicContact CG2-CG2 3.99Å; V535-I540 HydrophobicContact CB-CD1 4.26Å; V535-I540 HydrophobicContact CG1-CD1 3.82Å; V535-I540 HydrophobicContact CG2-CD1 3.88Å; V535-I619 HydrophobicContact CG2-CD1 4.21Å; V535-I619 HydrophobicContact CG2-CG2 4.35Å; V535-L621 HydrophobicContact CG1-CD2 4.03Å; V535-L642 HydrophobicContact CG2-CD1 3.83Å
536	N	90.7	Very high	78.1	Confident	95 Å²	95	65.9 Å²	65.9	51%	0.508	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	99.1	167	-175.9	8	0	0	0	109.1	R538 R539	N536-R538 PolarHBondContact O-N 2.9Å; N536-R539 PolarHBondContact N-O 3.49Å; N536-R539 PolarHBondContact O-N 2.78Å
537	R	90.4	Very high	81	Confident	120 Å²	120	63.5 Å²	63.5	45%	0.453	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	-97.5	-171.5	-55.2	179.6	174.6	176.9	-0.9	111.6	N165 D167	N165-R537 WeakPolarHBondContact O-CA 3.09Å; N165-R537 PolarHBondContact O-N 3.04Å; D167-R537 HydrophobicContact CB-CG 4.15Å; D167-R537 CarbonylContact O-C 3.47Å; D167-R537 WeakPolarHBondContact O-CA 3.35Å; D167-R537 VanDerWaalsContact O-CB 3.29Å; D167-R537 WeakPolarHBondContact O-CB 3.38Å
538	R	94.1	Very high	84	Confident	7 Å²	7	56.6 Å²	56.6	3%	0.026	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-2.9	178.9	-66	-55.3	-178.3	-132.4	2.2	114	F168 G169 D172 N536 H548 V549 P622	F168-R538 VanDerWaalsContact CE1-NH2 3.3Å; G169-R538 VanDerWaalsContact N-CG 3.34Å; D172-R538 IonicContact OD1-NE 3.49Å; D172-R538 PolarHBondContact OD1-NE 2.67Å; D172-R538 IonicContact OD1-NH2 2.76Å; D172-R538 WeakPolarHBondContact OD2-CG 3.03Å; D172-R538 IonicContact OD2-CZ 2.64Å; D172-R538 IonicContact OD2-NE 3.59Å; D172-R538 PolarHBondContact OD2-NE 3.01Å; D172-R538 IonicContact OD2-NH2 3.6Å; D172-R538 PolarHBondContact OD2-NH2 2.69Å; N536-R538 PolarHBondContact O-N 2.9Å; R538-H548 CarbonylContact O-C 3.15Å; R538-H548 WeakPolarHBondContact O-CA 3.46Å; R538-V549 WeakPolarHBondContact CB-O 3.22Å; R538-V549 WeakPolarHBondContact CD-O 3.5Å; R538-V549 PolarHBondContact O-N 2.74Å; R538-P622 PolarHBondContact NH2-O 2.74Å
539	R	95	Very high	87	Confident	26 Å²	26	46 Å²	46	10%	0.098	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	122.9	169.9	-172.2	178.8	179.3	-174.7	-1.6	108.6	N262 N536 Q541 D546 F547	N262-R539 PolarHBondContact ND2-NH1 3.24Å; N262-R539 VanDerWaalsContact ND2-NH1 3.18Å; N536-R539 PolarHBondContact N-O 3.49Å; N536-R539 PolarHBondContact O-N 2.78Å; R539-Q541 HydrophobicContact CG-CG 4.44Å; R539-D546 IonicContact CZ-OD1 2.69Å; R539-D546 IonicContact CZ-OD2 3.74Å; R539-D546 IonicContact NE-OD1 3.46Å; R539-D546 PolarHBondContact NE-OD1 3.21Å; R539-D546 IonicContact NE-OD2 2.89Å; R539-D546 PolarHBondContact NE-OD2 3.43Å; R539-D546 IonicContact NH2-OD1 2.92Å; R539-D546 IonicContact NH2-OD2 3.87Å; R539-D546 PolarHBondContact NH2-OD2 3.07Å; R539-F547 CarbonylContact C-O 3.59Å; R539-F547 WeakPolarHBondContact CA-O 3.35Å
540	I	95.8	Very high	89.6	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	126.6	177.4	-47.5	-55.2	0	0	0	107.5	I533 V535 D546 F547 V549 L621 L642 L686	I533-I540 HydrophobicContact CG2-CG2 4.18Å; V535-I540 HydrophobicContact CB-CD1 4.26Å; V535-I540 HydrophobicContact CG1-CD1 3.82Å; V535-I540 HydrophobicContact CG2-CD1 3.88Å; I540-D546 WeakPolarHBondContact O-CA 3.46Å; I540-F547 HydrophobicContact CB-CD1 4.49Å; I540-F547 HydrophobicContact CB-CD2 4.3Å; I540-F547 HydrophobicContact CB-CE1 4.01Å; I540-F547 HydrophobicContact CB-CE2 3.79Å; I540-F547 HydrophobicContact CB-CZ 3.63Å; I540-F547 HydrophobicContact CG1-CD2 4.43Å; I540-F547 HydrophobicContact CG1-CE2 3.83Å; I540-F547 HydrophobicContact CG1-CZ 4.08Å; I540-F547 HydrophobicContact CG2-CE1 4.13Å; I540-F547 HydrophobicContact CG2-CE2 4.4Å; I540-F547 HydrophobicContact CG2-CZ 3.79Å; I540-F547 PolarHBondContact N-O 3.2Å; I540-F547 PolarHBondContact O-N 3.34Å; I540-V549 HydrophobicContact CD1-CG1 4.18Å; I540-V549 HydrophobicContact CG1-CG1 3.84Å; I540-L621 HydrophobicContact CD1-CD1 4.33Å; I540-L642 HydrophobicContact CD1-CD1 3.65Å; I540-L642 HydrophobicContact CG1-CD1 4.35Å; I540-L642 HydrophobicContact CG2-CD1 4.41Å; I540-L686 HydrophobicContact CG2-CD2 3.86Å
541	Q	94.5	Very high	91.8	Very high	74 Å²	74	34.7 Å²	34.7	35%	0.346	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.1	170.2	-56.7	179.8	-75.7	0	0	107.9	H534 R539 W545 D546	H534-Q541 HydrophobicContact CB-CB 4.26Å; H534-Q541 PolarHBondContact N-O 2.89Å; H534-Q541 PolarHBondContact O-N 2.77Å; R539-Q541 HydrophobicContact CG-CG 4.44Å; Q541-W545 VanDerWaalsContact CA-O 3.28Å; Q541-W545 WeakPolarHBondContact CA-O 3.25Å; Q541-D546 HydrophobicContact CG-CB 4.39Å; Q541-D546 PolarHBondContact NE2-OD2 3.34Å
542	Y	93.3	Very high	93.6	Very high	4 Å²	4	32 Å²	32	2%	0.016	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	123.2	-178.6	170.8	-101.8	0	0	0	109.6	L532 I533 R544 W545 E644 N684 L686	L532-Y542 HydrophobicContact CB-CD2 3.83Å; L532-Y542 HydrophobicContact CB-CE2 3.8Å; L532-Y542 HydrophobicContact CD1-CE2 4.37Å; L532-Y542 WeakPolarHBondContact O-CA 3.13Å; I533-Y542 HydrophobicContact CG1-CD2 3.62Å; I533-Y542 HydrophobicContact CG1-CE2 4.12Å; Y542-R544 PolarHBondContact O-N 3Å; Y542-W545 PolarHBondContact N-O 3.34Å; Y542-W545 WeakPolarHBondContact O-CA 3.2Å; Y542-W545 VanDerWaalsContact O-CB 3.26Å; Y542-W545 WeakPolarHBondContact O-CB 3.49Å; Y542-W545 PolarHBondContact O-N 3.21Å; Y542-E644 HydrophobicContact CE2-CG 3.85Å; Y542-E644 WeakPolarHBondContact CE2-OE1 3.46Å; Y542-E644 PolarHBondContact OH-OE1 3.37Å; Y542-N684 WeakPolarHBondContact OH-CB 3.4Å; Y542-N684 PolarHBondContact OH-O 2.96Å; Y542-L686 HydrophobicContact CD1-CB 3.36Å; Y542-L686 HydrophobicContact CD1-CD2 4.29Å; Y542-L686 HydrophobicContact CD1-CG 4.4Å; Y542-L686 HydrophobicContact CD2-CB 4.29Å; Y542-L686 HydrophobicContact CE1-CB 3.62Å; Y542-L686 HydrophobicContact CG-CB 3.72Å; Y542-L686 HydrophobicContact CG-CD2 4.04Å; Y542-L686 HydrophobicContact CG-CG 4.35Å
543	D	88.6	Confident	94.4	Very high	45 Å²	45	28.6 Å²	28.6	24%	0.241	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	-110.3	-176.4	179.4	27.1	0	0	0	110.1	M994	D543-M994 WeakPolarHBondContact OD1-CE 3.46Å
544	R	91.4	Very high	94.6	Very high	30 Å²	30	29 Å²	29	11%	0.113	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	4.3	176.3	-55.6	-177.3	-179.4	117.9	-10.4	113.6	Y542 F564 A565 P966 F969 M994 E995 I997	Y542-R544 PolarHBondContact O-N 3Å; R544-F564 HydrophobicContact CB-CD2 4.01Å; R544-F564 HydrophobicContact CB-CE2 3.72Å; R544-F564 HydrophobicContact CB-CZ 4.17Å; R544-F564 CarbonylContact O-C 3.55Å; R544-F564 WeakPolarHBondContact O-CA 3.35Å; R544-A565 HydrophobicContact CB-CB 4.23Å; R544-A565 PolarHBondContact O-N 3.08Å; R544-P966 PolarHBondContact NH1-O 3.13Å; R544-F969 PolarHBondContact NH2-O 2.9Å; R544-M994 HydrophobicContact CG-CE 3.61Å; R544-E995 PolarHBondContact NH2-O 2.9Å; R544-I997 VanDerWaalsContact CZ-CD1 3.47Å
545	W	96.4	Very high	94.8	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.015	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	140.7	178.9	-65.7	100.4	0	0	0	111.9	Q541 Y542 F547 V562 Y563 F564 L569 F705 Y706 G709 V710 I711	Q541-W545 VanDerWaalsContact CA-O 3.28Å; Q541-W545 WeakPolarHBondContact CA-O 3.25Å; Y542-W545 PolarHBondContact N-O 3.34Å; Y542-W545 WeakPolarHBondContact O-CA 3.2Å; Y542-W545 VanDerWaalsContact O-CB 3.26Å; Y542-W545 WeakPolarHBondContact O-CB 3.49Å; Y542-W545 PolarHBondContact O-N 3.21Å; W545-F547 HydrophobicContact CB-CD1 4.41Å; W545-F547 HydrophobicContact CB-CE1 4.4Å; W545-V562 HydrophobicContact CE3-CG1 4.07Å; W545-V562 HydrophobicContact CZ3-CG1 3.97Å; W545-Y563 WeakPolarHBondContact CA-O 3.39Å; W545-F564 HydrophobicContact CD2-CB 4.42Å; W545-F564 AromaticContact CD2-CD2 3.54Å; W545-F564 HydrophobicContact CD2-CD2 3.54Å; W545-F564 HydrophobicContact CD2-CE2 4.32Å; W545-F564 HydrophobicContact CD2-CG 4.41Å; W545-F564 AromaticContact CE2-CD2 3.32Å; W545-F564 AromaticContact CE2-CE2 3.77Å; W545-F564 HydrophobicContact CE3-CB 3.88Å; W545-F564 AromaticContact CE3-CD2 3.89Å; W545-F564 HydrophobicContact CE3-CD2 3.89Å; W545-F564 HydrophobicContact CE3-CG 4.33Å; W545-F564 HydrophobicContact CG-CD2 4.07Å; W545-F564 HydrophobicContact CH2-CB 3.92Å; W545-F564 AromaticContact CH2-CD2 3.85Å; W545-F564 HydrophobicContact CH2-CD2 3.85Å; W545-F564 HydrophobicContact CH2-CG 4.03Å; W545-F564 HydrophobicContact CZ2-CB 4.48Å; W545-F564 AromaticContact CZ2-CD2 3.53Å; W545-F564 HydrophobicContact CZ2-CD2 3.53Å; W545-F564 HydrophobicContact CZ2-CE2 4.02Å; W545-F564 HydrophobicContact CZ2-CG 4.15Å; W545-F564 HydrophobicContact CZ3-CB 3.61Å; W545-F564 HydrophobicContact CZ3-CD2 4.03Å; W545-F564 HydrophobicContact CZ3-CG 4.15Å; W545-F564 AromaticContact NE1-CD2 3.69Å; W545-F564 AromaticContact NE1-CE2 3.7Å; W545-L569 HydrophobicContact CH2-CD1 4.19Å; W545-L569 HydrophobicContact CZ3-CD1 3.97Å; W545-F705 HydrophobicContact CD2-CB 3.92Å; W545-F705 AromaticContact CD2-CD1 3.61Å; W545-F705 HydrophobicContact CD2-CD1 3.61Å; W545-F705 HydrophobicContact CD2-CG 4.18Å; W545-F705 AromaticContact CE3-CD1 3.54Å; W545-F705 HydrophobicContact CE3-CD1 3.54Å; W545-F705 HydrophobicContact CE3-CE1 4.14Å; W545-F705 HydrophobicContact CG-CB 3.94Å; W545-F705 HydrophobicContact CG-CD1 4.16Å; W545-F705 HydrophobicContact CG-CG 4.36Å; W545-F705 HydrophobicContact CH2-CD1 4.32Å; W545-F705 HydrophobicContact CZ2-CB 4.39Å; W545-F705 HydrophobicContact CZ2-CD1 4.35Å; W545-F705 AromaticContact CZ3-CD1 3.91Å; W545-F705 HydrophobicContact CZ3-CD1 3.91Å; W545-F705 HydrophobicContact CZ3-CE1 4.43Å; W545-Y706 VanDerWaalsContact CE2-O 3.32Å; W545-Y706 VanDerWaalsContact CZ2-O 3.24Å; W545-Y706 WeakPolarHBondContact CZ2-O 3.09Å; W545-Y706 PolarHBondContact NE1-O 2.99Å; W545-G709 WeakPolarHBondContact CH2-O 3.37Å; W545-G709 VanDerWaalsContact CZ2-C 3.49Å; W545-V710 WeakPolarHBondContact CZ2-O 3.26Å; W545-I711 HydrophobicContact CH2-CD1 3.88Å; W545-I711 HydrophobicContact CH2-CG1 3.26Å; W545-I711 HydrophobicContact CZ2-CG1 4.14Å; W545-I711 HydrophobicContact CZ3-CD1 3.64Å; W545-I711 HydrophobicContact CZ3-CG1 3.53Å
546	D	96.3	Very high	95	Very high	23 Å²	23	23 Å²	23	12%	0.123	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	121.7	171.9	-165.9	-33.2	0	0	0	109.4	R539 I540 Q541 V562 Y563	R539-D546 IonicContact CZ-OD1 2.69Å; R539-D546 IonicContact CZ-OD2 3.74Å; R539-D546 IonicContact NE-OD1 3.46Å; R539-D546 PolarHBondContact NE-OD1 3.21Å; R539-D546 IonicContact NE-OD2 2.89Å; R539-D546 PolarHBondContact NE-OD2 3.43Å; R539-D546 IonicContact NH2-OD1 2.92Å; R539-D546 IonicContact NH2-OD2 3.87Å; R539-D546 PolarHBondContact NH2-OD2 3.07Å; I540-D546 WeakPolarHBondContact O-CA 3.46Å; Q541-D546 HydrophobicContact CG-CB 4.39Å; Q541-D546 PolarHBondContact NE2-OD2 3.34Å; D546-V562 WeakPolarHBondContact O-CA 3.33Å; D546-Y563 PolarHBondContact N-O 3.41Å; D546-Y563 PolarHBondContact O-N 2.7Å
547	F	97.7	Very high	95.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	167.1	-178.6	60	-86.5	0	0	0	111.5	R539 I540 W545 V549 V559 V562 L686 V688 F705	R539-F547 CarbonylContact C-O 3.59Å; R539-F547 WeakPolarHBondContact CA-O 3.35Å; I540-F547 HydrophobicContact CB-CD1 4.49Å; I540-F547 HydrophobicContact CB-CD2 4.3Å; I540-F547 HydrophobicContact CB-CE1 4.01Å; I540-F547 HydrophobicContact CB-CE2 3.79Å; I540-F547 HydrophobicContact CB-CZ 3.63Å; I540-F547 HydrophobicContact CG1-CD2 4.43Å; I540-F547 HydrophobicContact CG1-CE2 3.83Å; I540-F547 HydrophobicContact CG1-CZ 4.08Å; I540-F547 HydrophobicContact CG2-CE1 4.13Å; I540-F547 HydrophobicContact CG2-CE2 4.4Å; I540-F547 HydrophobicContact CG2-CZ 3.79Å; I540-F547 PolarHBondContact N-O 3.2Å; I540-F547 PolarHBondContact O-N 3.34Å; W545-F547 HydrophobicContact CB-CD1 4.41Å; W545-F547 HydrophobicContact CB-CE1 4.4Å; F547-V549 HydrophobicContact CD2-CB 4.44Å; F547-V549 HydrophobicContact CE2-CB 4.22Å; F547-V559 HydrophobicContact CD2-CB 4.35Å; F547-V559 HydrophobicContact CD2-CG1 3.83Å; F547-V559 HydrophobicContact CE2-CG1 4.14Å; F547-V562 HydrophobicContact CB-CB 4.27Å; F547-V562 HydrophobicContact CB-CG1 4.27Å; F547-V562 HydrophobicContact CB-CG2 3.95Å; F547-L686 HydrophobicContact CE1-CD2 3.91Å; F547-L686 HydrophobicContact CZ-CD2 3.76Å; F547-V688 HydrophobicContact CE2-CG2 4.1Å; F547-V688 HydrophobicContact CZ-CG2 3.85Å; F547-F705 HydrophobicContact CD1-CD1 4.41Å; F547-F705 AromaticContact CD1-CE1 3.88Å; F547-F705 HydrophobicContact CD1-CE1 3.88Å; F547-F705 HydrophobicContact CD1-CE2 4.26Å; F547-F705 AromaticContact CD1-CZ 3.79Å; F547-F705 HydrophobicContact CD1-CZ 3.79Å; F547-F705 HydrophobicContact CD2-CE2 4.43Å; F547-F705 HydrophobicContact CD2-CZ 4.02Å; F547-F705 HydrophobicContact CE1-CD1 4.18Å; F547-F705 AromaticContact CE1-CD2 3.86Å; F547-F705 HydrophobicContact CE1-CD2 3.86Å; F547-F705 AromaticContact CE1-CE1 3.92Å; F547-F705 HydrophobicContact CE1-CE1 3.92Å; F547-F705 AromaticContact CE1-CE2 3.58Å; F547-F705 HydrophobicContact CE1-CE2 3.58Å; F547-F705 HydrophobicContact CE1-CG 4.14Å; F547-F705 AromaticContact CE1-CZ 3.59Å; F547-F705 HydrophobicContact CE1-CZ 3.59Å; F547-F705 AromaticContact CE2-CE2 3.78Å; F547-F705 HydrophobicContact CE2-CE2 3.78Å; F547-F705 AromaticContact CE2-CZ 3.83Å; F547-F705 HydrophobicContact CE2-CZ 3.83Å; F547-F705 HydrophobicContact CG-CE1 4.34Å; F547-F705 AromaticContact CG-CZ 3.99Å; F547-F705 HydrophobicContact CG-CZ 3.99Å; F547-F705 AromaticContact CZ-CD2 3.83Å; F547-F705 HydrophobicContact CZ-CD2 3.83Å; F547-F705 HydrophobicContact CZ-CE1 4.39Å; F547-F705 AromaticContact CZ-CE2 3.29Å; F547-F705 HydrophobicContact CZ-CE2 3.29Å; F547-F705 AromaticContact CZ-CZ 3.61Å; F547-F705 HydrophobicContact CZ-CZ 3.61Å
548	H	97.2	Very high	95.8	Very high	17 Å²	17	13.1 Å²	13.1	8%	0.079	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	139.9	169.2	-66.6	64	0	0	0	110.6	F255 R538 V559 F560	F255-H548 AromaticContact CD1-CE1 3.77Å; F255-H548 AromaticContact CD1-ND1 4Å; F255-H548 HydrophobicContact CE1-CB 4.41Å; F255-H548 AromaticContact CE1-CD2 3.96Å; F255-H548 AromaticContact CE1-CE1 3.46Å; F255-H548 VanDerWaalsContact CE1-CE1 3.46Å; F255-H548 WeakPolarHBondContact CE1-CE1 3.17Å; F255-H548 AromaticContact CE1-CG 3.68Å; F255-H548 AromaticContact CE1-ND1 3.35Å; F255-H548 VanDerWaalsContact CE1-ND1 3.35Å; F255-H548 WeakPolarHBondContact CE1-ND1 3.32Å; F255-H548 AromaticContact CE1-NE2 3.82Å; R538-H548 CarbonylContact O-C 3.15Å; R538-H548 WeakPolarHBondContact O-CA 3.46Å; H548-V559 CarbonylContact O-C 3.55Å; H548-V559 WeakPolarHBondContact O-CA 3.49Å; H548-F560 HydrophobicContact CB-CB 4.37Å; H548-F560 PolarHBondContact N-O 3.31Å; H548-F560 PolarHBondContact O-N 2.86Å
549	V	98.2	Very high	96	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.012	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	145	179.9	65.6	0	0	0	0	111.7	R538 I540 F547 L557 R558 V559 L621 I640 V688	R538-V549 WeakPolarHBondContact CB-O 3.22Å; R538-V549 WeakPolarHBondContact CD-O 3.5Å; R538-V549 PolarHBondContact O-N 2.74Å; I540-V549 HydrophobicContact CD1-CG1 4.18Å; I540-V549 HydrophobicContact CG1-CG1 3.84Å; F547-V549 HydrophobicContact CD2-CB 4.44Å; F547-V549 HydrophobicContact CE2-CB 4.22Å; V549-L557 HydrophobicContact CG2-CD1 3.71Å; V549-R558 WeakPolarHBondContact CA-O 3.13Å; V549-V559 HydrophobicContact CB-CG1 4.44Å; V549-V559 HydrophobicContact CG2-CG1 4.36Å; V549-L621 HydrophobicContact CG1-CD1 4.03Å; V549-I640 HydrophobicContact CG2-CD1 4.18Å; V549-V688 HydrophobicContact CG2-CG1 3.83Å
550	T	97	Very high	96.1	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.006	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	174.2	168.9	-166	0	0	0	0	111.1	F171 D172 R552 R558 F560	F171-T550 HydrophobicContact CB-CG2 4.42Å; F171-T550 PolarHBondContact O-OG1 2.89Å; D172-T550 WeakPolarHBondContact CA-OG1 3.38Å; D172-T550 PolarHBondContact OD1-OG1 2.83Å; T550-R552 HydrophobicContact CG2-CG 4.31Å; T550-R558 HydrophobicContact CG2-CB 4.26Å; T550-R558 PolarHBondContact N-O 3.24Å; T550-R558 PolarHBondContact O-N 2.64Å; T550-F560 HydrophobicContact CG2-CD2 4.47Å; T550-F560 HydrophobicContact CG2-CE2 3.71Å
551	V	97.8	Very high	96.1	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.012	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	122.4	168.2	173.6	0	0	0	0	107.6	G556 L557 V623 L625 I640	V551-G556 WeakPolarHBondContact CA-O 3.04Å; V551-L557 HydrophobicContact CG2-CD1 4.29Å; V551-V623 HydrophobicContact CB-CG1 3.87Å; V551-V623 HydrophobicContact CB-CG2 4.26Å; V551-V623 HydrophobicContact CG1-CG1 4.12Å; V551-V623 HydrophobicContact CG2-CG1 4.4Å; V551-V623 HydrophobicContact CG2-CG2 3.96Å; V551-L625 HydrophobicContact CG1-CD2 4.27Å; V551-I640 HydrophobicContact CG2-CD1 4Å; V551-I640 HydrophobicContact CG2-CG1 3.88Å
552	R	96.1	Very high	96.2	Very high	8 Å²	8	8.8 Å²	8.8	3%	0.03	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	139.8	176	-65.9	-162.1	62.4	-130.6	-11.2	110.2	T550 D554 T555 G556 G602 F893	T550-R552 HydrophobicContact CG2-CG 4.31Å; R552-D554 PolarHBondContact O-N 3.08Å; R552-T555 WeakPolarHBondContact CB-OG1 3.44Å; R552-T555 PolarHBondContact NH1-OG1 2.75Å; R552-T555 PolarHBondContact O-N 2.81Å; R552-G556 PolarHBondContact N-O 2.69Å; R552-G556 WeakPolarHBondContact O-CA 3.17Å; R552-G556 PolarHBondContact O-N 2.89Å; R552-G602 WeakPolarHBondContact O-CA 3.42Å; R552-F893 VanDerWaalsContact CZ-CE1 3.47Å
553	R	95.4	Very high	96.4	Very high	5 Å²	5	10.6 Å²	10.6	2%	0.019	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-49.7	-178	179.3	-139.7	150.9	119	6.4	113.3	E173 S240 N242 G600 I601 G602 G603 L625 I626 D627	E173-R553 PolarHBondContact OE1-N 3.49Å; S240-R553 VanDerWaalsContact CB-NH1 3.29Å; N242-R553 WeakPolarHBondContact OD1-CD 3.48Å; R553-G600 CarbonylContact O-C 3.42Å; R553-G600 VanDerWaalsContact O-C 3.26Å; R553-G600 WeakPolarHBondContact O-CA 3.33Å; R553-I601 PolarHBondContact O-N 2.65Å; R553-G602 CarbonylContact O-C 3.1Å; R553-G602 VanDerWaalsContact O-CA 3.29Å; R553-G602 WeakPolarHBondContact O-CA 3.43Å; R553-G602 PolarHBondContact O-N 2.83Å; R553-G603 PolarHBondContact O-N 2.72Å; R553-L625 HydrophobicContact CB-CD2 4.21Å; R553-I626 WeakPolarHBondContact CD-O 3.05Å; R553-I626 PolarHBondContact NH1-O 2.84Å; R553-D627 PolarHBondContact NH1-O 2.82Å; R553-D627 PolarHBondContact NH2-O 3.14Å
554	D	95.4	Very high	96.7	Very high	17 Å²	17	8.5 Å²	8.5	9%	0.091	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-30.6	-172	-56	-27.8	0	0	0	112.6	N242 R552 I601 I897	N242-D554 PolarHBondContact ND2-OD1 2.78Å; N242-D554 PolarHBondContact ND2-OD2 3.22Å; R552-D554 PolarHBondContact O-N 3.08Å; D554-I601 PolarHBondContact O-N 3.03Å; D554-I601 VanDerWaalsContact O-N 3.12Å; D554-I897 HydrophobicContact CB-CG2 4.37Å
555	T	96.9	Very high	96.8	Very high	2 Å²	2	8.3 Å²	8.3	1%	0.012	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	-11.9	-162.9	45.5	0	0	0	0	115.6	R552 L575 E576	R552-T555 WeakPolarHBondContact CB-OG1 3.44Å; R552-T555 PolarHBondContact NH1-OG1 2.75Å; R552-T555 PolarHBondContact O-N 2.81Å; T555-L575 VanDerWaalsContact CB-O 3.25Å; T555-L575 WeakPolarHBondContact CB-O 3.46Å; T555-L575 WeakPolarHBondContact O-CB 3.44Å; T555-E576 WeakPolarHBondContact CG2-O 3.43Å
556	G	97.2	Very high	96.5	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.01	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	85	-147.2	174.8	0	0	0	0	0	114.6	V551 R552	V551-G556 WeakPolarHBondContact CA-O 3.04Å; R552-G556 PolarHBondContact N-O 2.69Å; R552-G556 WeakPolarHBondContact O-CA 3.17Å; R552-G556 PolarHBondContact O-N 2.89Å
557	L	98.5	Very high	96.3	Very high	7 Å²	7	15.3 Å²	15.3	4%	0.037	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	132.7	-172.9	-172.3	61.4	0	0	0	112.3	V549 V551 I640 V688 T690 F701 I703	V549-L557 HydrophobicContact CG2-CD1 3.71Å; V551-L557 HydrophobicContact CG2-CD1 4.29Å; L557-I640 HydrophobicContact CD1-CG1 4.46Å; L557-V688 HydrophobicContact CD1-CG1 4.07Å; L557-V688 HydrophobicContact CD2-CG1 4.27Å; L557-T690 HydrophobicContact CB-CG2 3.69Å; L557-T690 HydrophobicContact CD1-CG2 4.47Å; L557-T690 HydrophobicContact CD2-CG2 4.25Å; L557-T690 HydrophobicContact CG-CG2 4.36Å; L557-F701 HydrophobicContact CD2-CB 4.48Å; L557-I703 HydrophobicContact CD2-CD1 3.84Å; L557-I703 HydrophobicContact CD2-CG1 3.8Å; L557-I703 HydrophobicContact CG-CD1 3.86Å; L557-I703 HydrophobicContact CG-CG1 4.38Å
558	R	98.2	Very high	96.2	Very high	1 Å²	1	16.1 Å²	16.1	0%	0.004	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	144.9	-178.4	-171.9	155	-66.4	-111.8	-7.8	112	V549 T550 F560 E572 A573 G574 L575 E576	V549-R558 WeakPolarHBondContact CA-O 3.13Å; T550-R558 HydrophobicContact CG2-CB 4.26Å; T550-R558 PolarHBondContact N-O 3.24Å; T550-R558 PolarHBondContact O-N 2.64Å; R558-F560 HydrophobicContact CB-CE2 4.44Å; R558-F560 HydrophobicContact CG-CD2 4.45Å; R558-F560 HydrophobicContact CG-CE1 4.36Å; R558-F560 HydrophobicContact CG-CE2 3.83Å; R558-F560 HydrophobicContact CG-CZ 3.78Å; R558-E572 WeakPolarHBondContact CD-OE1 3.04Å; R558-E572 HydrophobicContact CG-CG 4.46Å; R558-E572 IonicContact CZ-OE1 2.67Å; R558-E572 IonicContact NE-OE1 2.93Å; R558-E572 IonicContact NH1-OE1 3.37Å; R558-E572 PolarHBondContact NH1-OE1 2.94Å; R558-A573 WeakPolarHBondContact CA-O 3.31Å; R558-A573 WeakPolarHBondContact CG-O 3.34Å; R558-G574 PolarHBondContact NH2-O 3.11Å; R558-L575 PolarHBondContact NH2-O 3.25Å; R558-E576 IonicContact CZ-OE1 3.59Å; R558-E576 VanDerWaalsContact CZ-OE1 3.28Å; R558-E576 IonicContact NH1-OE1 2.68Å; R558-E576 PolarHBondContact NH1-OE1 2.74Å; R558-E576 IonicContact NH2-OE1 3.81Å; R558-E576 PolarHBondContact NH2-OE1 2.89Å
559	V	98.6	Very high	96.2	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	148.6	172.6	-65.8	0	0	0	0	111.7	F547 H548 V549 V562 E572 A573 I703 F705 F713	F547-V559 HydrophobicContact CD2-CB 4.35Å; F547-V559 HydrophobicContact CD2-CG1 3.83Å; F547-V559 HydrophobicContact CE2-CG1 4.14Å; H548-V559 CarbonylContact O-C 3.55Å; H548-V559 WeakPolarHBondContact O-CA 3.49Å; V549-V559 HydrophobicContact CB-CG1 4.44Å; V549-V559 HydrophobicContact CG2-CG1 4.36Å; V559-V562 HydrophobicContact CB-CG2 4.16Å; V559-V562 HydrophobicContact CG2-CG2 3.84Å; V559-E572 WeakPolarHBondContact O-CA 3.39Å; V559-A573 HydrophobicContact CG2-CB 4.17Å; V559-A573 PolarHBondContact N-O 2.69Å; V559-A573 PolarHBondContact O-N 2.88Å; V559-I703 HydrophobicContact CG1-CD1 3.68Å; V559-I703 HydrophobicContact CG2-CD1 4.18Å; V559-F705 HydrophobicContact CG1-CZ 4.3Å; V559-F713 HydrophobicContact CG2-CE1 4.25Å
560	F	97.5	Very high	96.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	145.6	179.1	-62.7	-83.6	0	0	0	111.1	F171 I245 F255 H548 T550 R558 S571 E572	F171-F560 HydrophobicContact CB-CE2 4.19Å; F171-F560 HydrophobicContact CD2-CD2 4.1Å; F171-F560 HydrophobicContact CD2-CE2 4.46Å; F171-F560 HydrophobicContact CG-CD2 4.45Å; F171-F560 HydrophobicContact CG-CE2 4.36Å; I245-F560 HydrophobicContact CD1-CZ 4.29Å; I245-F560 HydrophobicContact CG2-CE1 4.04Å; I245-F560 HydrophobicContact CG2-CZ 4.11Å; F255-F560 HydrophobicContact CE2-CB 4.29Å; F255-F560 HydrophobicContact CZ-CB 3.88Å; H548-F560 HydrophobicContact CB-CB 4.37Å; H548-F560 PolarHBondContact N-O 3.31Å; H548-F560 PolarHBondContact O-N 2.86Å; T550-F560 HydrophobicContact CG2-CD2 4.47Å; T550-F560 HydrophobicContact CG2-CE2 3.71Å; R558-F560 HydrophobicContact CB-CE2 4.44Å; R558-F560 HydrophobicContact CG-CD2 4.45Å; R558-F560 HydrophobicContact CG-CE1 4.36Å; R558-F560 HydrophobicContact CG-CE2 3.83Å; R558-F560 HydrophobicContact CG-CZ 3.78Å; F560-S571 WeakPolarHBondContact CA-O 3.37Å; F560-E572 HydrophobicContact CD1-CB 3.96Å; F560-E572 HydrophobicContact CD1-CG 3.9Å; F560-E572 HydrophobicContact CE1-CB 4.14Å; F560-E572 HydrophobicContact CE1-CG 3.61Å; F560-E572 HydrophobicContact CZ-CG 4.49Å
561	N	95.8	Very high	96.2	Very high	15 Å²	15	15.5 Å²	15.5	8%	0.08	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	51	61.9	169.8	-169.6	77.6	0	0	0	111.5	F255 Y563 I570 S571	F255-N561 HydrophobicContact CB-CB 4.49Å; F255-N561 HydrophobicContact CD1-CB 3.97Å; F255-N561 HydrophobicContact CD2-CB 3.38Å; F255-N561 HydrophobicContact CE1-CB 3.93Å; F255-N561 HydrophobicContact CE2-CB 3.32Å; F255-N561 HydrophobicContact CG-CB 3.7Å; F255-N561 WeakPolarHBondContact CG-ND2 3.31Å; F255-N561 HydrophobicContact CZ-CB 3.58Å; N561-Y563 VanDerWaalsContact CG-CE2 3.46Å; N561-Y563 WeakPolarHBondContact ND2-CE2 3.05Å; N561-Y563 WeakPolarHBondContact O-CD2 3.18Å; N561-Y563 WeakPolarHBondContact OD1-CE2 3.45Å; N561-I570 CarbonylContact C-O 3.39Å; N561-I570 WeakPolarHBondContact CA-O 3.4Å; N561-I570 PolarHBondContact N-O 2.73Å; N561-S571 PolarHBondContact N-O 2.92Å
562	V	97.6	Very high	96.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	122.4	-175.4	-172.5	0	0	0	0	110.2	W545 D546 F547 V559 L569 I570 F705 I711	W545-V562 HydrophobicContact CE3-CG1 4.07Å; W545-V562 HydrophobicContact CZ3-CG1 3.97Å; D546-V562 WeakPolarHBondContact O-CA 3.33Å; F547-V562 HydrophobicContact CB-CB 4.27Å; F547-V562 HydrophobicContact CB-CG1 4.27Å; F547-V562 HydrophobicContact CB-CG2 3.95Å; V559-V562 HydrophobicContact CB-CG2 4.16Å; V559-V562 HydrophobicContact CG2-CG2 3.84Å; V562-L569 PolarHBondContact O-N 3.32Å; V562-I570 HydrophobicContact CB-CB 4.01Å; V562-I570 HydrophobicContact CG2-CB 4.06Å; V562-I570 HydrophobicContact CG2-CG2 4.42Å; V562-I570 PolarHBondContact N-O 2.71Å; V562-I570 PolarHBondContact O-N 3.48Å; V562-F705 HydrophobicContact CG1-CE1 3.98Å; V562-I711 HydrophobicContact CG1-CD1 3.75Å
563	Y	95.9	Very high	96.3	Very high	43 Å²	43	15.4 Å²	15.4	17%	0.169	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	146.4	175.7	-70.9	-111.9	0	0	0	109.8	W545 D546 N561 V567	W545-Y563 WeakPolarHBondContact CA-O 3.39Å; D546-Y563 PolarHBondContact N-O 3.41Å; D546-Y563 PolarHBondContact O-N 2.7Å; N561-Y563 VanDerWaalsContact CG-CE2 3.46Å; N561-Y563 WeakPolarHBondContact ND2-CE2 3.05Å; N561-Y563 WeakPolarHBondContact O-CD2 3.18Å; N561-Y563 WeakPolarHBondContact OD1-CE2 3.45Å; Y563-V567 VanDerWaalsContact CA-O 3.25Å; Y563-V567 WeakPolarHBondContact CA-O 3.24Å
564	F	96	Very high	96.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	124.7	166.3	-178.2	-102.5	0	0	0	109.4	R544 W545 N566 V567 L569 S707 F962 P966 I997	R544-F564 HydrophobicContact CB-CD2 4.01Å; R544-F564 HydrophobicContact CB-CE2 3.72Å; R544-F564 HydrophobicContact CB-CZ 4.17Å; R544-F564 CarbonylContact O-C 3.55Å; R544-F564 WeakPolarHBondContact O-CA 3.35Å; W545-F564 HydrophobicContact CD2-CB 4.42Å; W545-F564 AromaticContact CD2-CD2 3.54Å; W545-F564 HydrophobicContact CD2-CD2 3.54Å; W545-F564 HydrophobicContact CD2-CE2 4.32Å; W545-F564 HydrophobicContact CD2-CG 4.41Å; W545-F564 AromaticContact CE2-CD2 3.32Å; W545-F564 AromaticContact CE2-CE2 3.77Å; W545-F564 HydrophobicContact CE3-CB 3.88Å; W545-F564 AromaticContact CE3-CD2 3.89Å; W545-F564 HydrophobicContact CE3-CD2 3.89Å; W545-F564 HydrophobicContact CE3-CG 4.33Å; W545-F564 HydrophobicContact CG-CD2 4.07Å; W545-F564 HydrophobicContact CH2-CB 3.92Å; W545-F564 AromaticContact CH2-CD2 3.85Å; W545-F564 HydrophobicContact CH2-CD2 3.85Å; W545-F564 HydrophobicContact CH2-CG 4.03Å; W545-F564 HydrophobicContact CZ2-CB 4.48Å; W545-F564 AromaticContact CZ2-CD2 3.53Å; W545-F564 HydrophobicContact CZ2-CD2 3.53Å; W545-F564 HydrophobicContact CZ2-CE2 4.02Å; W545-F564 HydrophobicContact CZ2-CG 4.15Å; W545-F564 HydrophobicContact CZ3-CB 3.61Å; W545-F564 HydrophobicContact CZ3-CD2 4.03Å; W545-F564 HydrophobicContact CZ3-CG 4.15Å; W545-F564 AromaticContact NE1-CD2 3.69Å; W545-F564 AromaticContact NE1-CE2 3.7Å; F564-N566 PolarHBondContact O-N 3.36Å; F564-V567 PolarHBondContact N-O 3.2Å; F564-V567 WeakPolarHBondContact O-CB 3.48Å; F564-V567 PolarHBondContact O-N 3.06Å; F564-L569 HydrophobicContact CB-CD1 3.71Å; F564-L569 HydrophobicContact CB-CG 4.37Å; F564-S707 WeakPolarHBondContact CZ-O 3.49Å; F564-F962 AromaticContact CD1-CE2 3.89Å; F564-F962 HydrophobicContact CD1-CE2 3.89Å; F564-F962 AromaticContact CD1-CZ 3.64Å; F564-F962 HydrophobicContact CD1-CZ 3.64Å; F564-F962 HydrophobicContact CE1-CE2 4.02Å; F564-F962 AromaticContact CE1-CZ 3.96Å; F564-F962 HydrophobicContact CE1-CZ 3.96Å; F564-P966 HydrophobicContact CE1-CB 3.54Å; F564-P966 HydrophobicContact CE1-CG 3.48Å; F564-P966 VanDerWaalsContact CE1-CG 3.48Å; F564-P966 HydrophobicContact CZ-CB 3.58Å; F564-P966 HydrophobicContact CZ-CG 4.03Å; F564-I997 HydrophobicContact CE1-CD1 4.09Å; F564-I997 HydrophobicContact CZ-CD1 4.3Å
565	A	92.5	Very high	96.5	Very high	27 Å²	27	14.6 Å²	14.6	22%	0.223	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	43.4	-178.4	0	0	0	0	0	112.8	R544 V567 F962 I997	R544-A565 HydrophobicContact CB-CB 4.23Å; R544-A565 PolarHBondContact O-N 3.08Å; A565-V567 PolarHBondContact O-N 3.18Å; A565-F962 HydrophobicContact CB-CE1 4.34Å; A565-I997 HydrophobicContact CB-CD1 3.84Å
566	N	90.9	Very high	96.6	Very high	159 Å²	159	14.6 Å²	14.6	85%	0.85	8%	0.081	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.2	8.7	-174.9	-56	-44.8	0	0	0	115.7	F564	F564-N566 PolarHBondContact O-N 3.36Å
567	V	92.9	Very high	96.6	Very high	14 Å²	14	14.6 Å²	14.6	9%	0.085	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	125.6	172.4	-175.1	0	0	0	0	109	Y563 F564 A565 L569 V763 L961 F962 M999	Y563-V567 VanDerWaalsContact CA-O 3.25Å; Y563-V567 WeakPolarHBondContact CA-O 3.24Å; F564-V567 PolarHBondContact N-O 3.2Å; F564-V567 WeakPolarHBondContact O-CB 3.48Å; F564-V567 PolarHBondContact O-N 3.06Å; A565-V567 PolarHBondContact O-N 3.18Å; V567-L569 HydrophobicContact CG1-CD2 4.19Å; V567-V763 HydrophobicContact CG1-CG2 3.97Å; V567-L961 HydrophobicContact CG1-CD1 4.28Å; V567-L961 HydrophobicContact CG1-CD2 4.27Å; V567-F962 HydrophobicContact CG2-CE1 4.14Å; V567-F962 HydrophobicContact CG2-CZ 4.35Å; V567-M999 HydrophobicContact CG2-SD 3.81Å
568	S	94.2	Very high	96.6	Very high	17 Å²	17	14.2 Å²	14.2	12%	0.119	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	133.9	171.4	177.2	0	0	0	0	109.8	D761 I762 V763	S568-D761 CarbonylContact C-O 3.56Å; S568-D761 VanDerWaalsContact CB-O 3.31Å; S568-D761 WeakPolarHBondContact CB-O 3.39Å; S568-D761 PolarHBondContact OG-O 3.05Å; S568-I762 WeakPolarHBondContact O-CA 3.45Å; S568-V763 PolarHBondContact O-N 3.03Å
569	L	97.2	Very high	96.6	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.01	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	-48	177.5	-57.4	-174.2	0	0	0	112.6	W545 V562 F564 V567 I711 D761 L855 L961	W545-L569 HydrophobicContact CH2-CD1 4.19Å; W545-L569 HydrophobicContact CZ3-CD1 3.97Å; V562-L569 PolarHBondContact O-N 3.32Å; F564-L569 HydrophobicContact CB-CD1 3.71Å; F564-L569 HydrophobicContact CB-CG 4.37Å; V567-L569 HydrophobicContact CG1-CD2 4.19Å; L569-I711 HydrophobicContact CD1-CD1 4.43Å; L569-D761 CarbonylContact O-C 3.49Å; L569-D761 PolarHBondContact O-N 3.29Å; L569-L855 HydrophobicContact CD2-CD2 4.29Å; L569-L961 HydrophobicContact CD2-CD2 3.82Å
570	I	97.9	Very high	96.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	128.1	-169.8	-57.6	-179.4	0	0	0	109.6	N561 V562 E572 A573 I711 F713 I758 D759 I760	N561-I570 CarbonylContact C-O 3.39Å; N561-I570 WeakPolarHBondContact CA-O 3.4Å; N561-I570 PolarHBondContact N-O 2.73Å; V562-I570 HydrophobicContact CB-CB 4.01Å; V562-I570 HydrophobicContact CG2-CB 4.06Å; V562-I570 HydrophobicContact CG2-CG2 4.42Å; V562-I570 PolarHBondContact N-O 2.71Å; V562-I570 PolarHBondContact O-N 3.48Å; I570-E572 WeakPolarHBondContact CG2-O 3.35Å; I570-A573 HydrophobicContact CG2-CB 3.69Å; I570-I711 HydrophobicContact CD1-CD1 3.61Å; I570-I711 HydrophobicContact CG1-CD1 4.42Å; I570-F713 HydrophobicContact CD1-CE2 4.27Å; I570-F713 HydrophobicContact CD1-CZ 4.13Å; I570-I758 HydrophobicContact CD1-CG2 3.9Å; I570-I758 HydrophobicContact CG1-CG2 4.29Å; I570-I758 HydrophobicContact CG2-CG2 4.22Å; I570-D759 CarbonylContact C-O 3.45Å; I570-D759 WeakPolarHBondContact CA-O 3.34Å; I570-D759 WeakPolarHBondContact CG2-O 3.35Å; I570-I760 HydrophobicContact CG1-CD1 4.05Å
571	S	97	Very high	96.4	Very high	6 Å²	6	14.5 Å²	14.5	4%	0.042	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	-42.9	174	-134.9	0	0	0	0	112.2	K248 F560 N561 D759 D761	K248-S571 WeakPolarHBondContact CE-OG 3.48Å; F560-S571 WeakPolarHBondContact CA-O 3.37Å; N561-S571 PolarHBondContact N-O 2.92Å; S571-D759 PolarHBondContact N-O 3.2Å; S571-D761 WeakPolarHBondContact CB-OD2 3.34Å; S571-D761 PolarHBondContact OG-OD2 3.38Å
572	E	97.7	Very high	96.3	Very high	8 Å²	8	14 Å²	14	4%	0.037	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	134.7	-177.5	175.2	176.6	-171.2	0	0	109.6	R251 R558 V559 F560 I570 K757 D759	R251-E572 IonicContact CZ-OE2 2.69Å; R251-E572 IonicContact NH1-OE2 3.85Å; R251-E572 PolarHBondContact NH1-OE2 2.9Å; R251-E572 IonicContact NH2-OE2 3.58Å; R251-E572 PolarHBondContact NH2-OE2 2.81Å; R558-E572 WeakPolarHBondContact CD-OE1 3.04Å; R558-E572 HydrophobicContact CG-CG 4.46Å; R558-E572 IonicContact CZ-OE1 2.67Å; R558-E572 IonicContact NE-OE1 2.93Å; R558-E572 IonicContact NH1-OE1 3.37Å; R558-E572 PolarHBondContact NH1-OE1 2.94Å; V559-E572 WeakPolarHBondContact O-CA 3.39Å; F560-E572 HydrophobicContact CD1-CB 3.96Å; F560-E572 HydrophobicContact CD1-CG 3.9Å; F560-E572 HydrophobicContact CE1-CB 4.14Å; F560-E572 HydrophobicContact CE1-CG 3.61Å; F560-E572 HydrophobicContact CZ-CG 4.49Å; I570-E572 WeakPolarHBondContact CG2-O 3.35Å; E572-K757 IonicContact OE2-NZ 3.39Å; E572-D759 HydrophobicContact CB-CB 4.16Å; E572-D759 WeakPolarHBondContact O-CB 3.37Å; E572-D759 PolarHBondContact O-N 3.2Å
573	A	98.6	Very high	95.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	142	169.5	0	0	0	0	0	113.2	R558 V559 I570 F713 K757 I758	R558-A573 WeakPolarHBondContact CA-O 3.31Å; R558-A573 WeakPolarHBondContact CG-O 3.34Å; V559-A573 HydrophobicContact CG2-CB 4.17Å; V559-A573 PolarHBondContact N-O 2.69Å; V559-A573 PolarHBondContact O-N 2.88Å; I570-A573 HydrophobicContact CG2-CB 3.69Å; A573-F713 HydrophobicContact CB-CE1 3.57Å; A573-F713 HydrophobicContact CB-CE2 4.35Å; A573-F713 HydrophobicContact CB-CZ 3.38Å; A573-K757 WeakPolarHBondContact CA-O 3.36Å; A573-I758 HydrophobicContact CB-CB 4.39Å; A573-I758 HydrophobicContact CB-CG1 4.25Å; A573-I758 HydrophobicContact CB-CG2 4.12Å
574	G	98.2	Very high	95.6	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.01	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.5	175.8	176.9	0	0	0	0	0	112.4	R558 F756 K757	R558-G574 PolarHBondContact NH2-O 3.11Å; G574-F756 WeakPolarHBondContact O-CA 3.4Å; G574-K757 PolarHBondContact N-O 2.87Å; G574-K757 PolarHBondContact O-N 3.23Å
575	L	98.4	Very high	95.2	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.021	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	142.8	172.9	-174.7	80.5	0	0	0	109.9	T555 R558 E577 I601 F701 F754 H755 F756	T555-L575 VanDerWaalsContact CB-O 3.25Å; T555-L575 WeakPolarHBondContact CB-O 3.46Å; T555-L575 WeakPolarHBondContact O-CB 3.44Å; R558-L575 PolarHBondContact NH2-O 3.25Å; L575-E577 WeakPolarHBondContact CD1-O 3.3Å; L575-I601 HydrophobicContact CD2-CD1 3.77Å; L575-I601 HydrophobicContact CD2-CG2 3.87Å; L575-F701 HydrophobicContact CD1-CE1 4.3Å; L575-F701 HydrophobicContact CD2-CE1 3.72Å; L575-F701 HydrophobicContact CD2-CZ 3.64Å; L575-F754 HydrophobicContact CD1-CB 3.82Å; L575-F754 HydrophobicContact CD1-CD1 4.32Å; L575-H755 CarbonylContact C-O 3.59Å; L575-H755 WeakPolarHBondContact CA-O 3.5Å; L575-H755 WeakPolarHBondContact CD1-O 3.31Å; L575-F756 HydrophobicContact CB-CD1 4.36Å; L575-F756 HydrophobicContact CB-CE1 4.14Å; L575-F756 HydrophobicContact CD1-CD2 4.38Å; L575-F756 HydrophobicContact CD1-CE1 4.14Å; L575-F756 HydrophobicContact CD1-CE2 3.99Å; L575-F756 HydrophobicContact CD1-CZ 3.87Å
576	E	97.9	Very high	95.2	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.009	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-33.6	177.2	-70.9	-69	130.8	0	0	112.5	T555 R558 H755 K757 F893 A894 W928	T555-E576 WeakPolarHBondContact CG2-O 3.43Å; R558-E576 IonicContact CZ-OE1 3.59Å; R558-E576 VanDerWaalsContact CZ-OE1 3.28Å; R558-E576 IonicContact NH1-OE1 2.68Å; R558-E576 PolarHBondContact NH1-OE1 2.74Å; R558-E576 IonicContact NH2-OE1 3.81Å; R558-E576 PolarHBondContact NH2-OE1 2.89Å; E576-H755 PolarHBondContact N-O 3.41Å; E576-K757 HydrophobicContact CG-CB 3.45Å; E576-K757 VanDerWaalsContact CG-CB 3.45Å; E576-K757 WeakPolarHBondContact OE1-CB 3.33Å; E576-K757 WeakPolarHBondContact OE1-CD 3.44Å; E576-F893 VanDerWaalsContact OE2-CA 3.22Å; E576-F893 WeakPolarHBondContact OE2-CA 3.36Å; E576-A894 HydrophobicContact CB-CB 4Å; E576-A894 HydrophobicContact CG-CB 4.16Å; E576-A894 PolarHBondContact OE2-N 2.72Å; E576-W928 HydrophobicContact CG-CE3 4.42Å; E576-W928 HydrophobicContact CG-CZ3 3.99Å
577	E	98.1	Very high	95.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	158.7	179.3	-173	58	-80.9	0	0	110	L575 L595 E596 S597 H755 W877 S895	L575-E577 WeakPolarHBondContact CD1-O 3.3Å; E577-L595 HydrophobicContact CG-CB 4.38Å; E577-L595 HydrophobicContact CG-CD2 4.43Å; E577-L595 HydrophobicContact CG-CG 4.11Å; E577-E596 PolarHBondContact OE1-N 3Å; E577-S597 WeakPolarHBondContact OE1-CB 3.11Å; E577-S597 PolarHBondContact OE1-N 2.83Å; E577-S597 PolarHBondContact OE1-OG 3.45Å; E577-S597 VanDerWaalsContact OE2-CB 3.3Å; E577-S597 WeakPolarHBondContact OE2-CB 3.31Å; E577-S597 PolarHBondContact OE2-OG 3.06Å; E577-H755 PolarHBondContact O-N 2.89Å; E577-W877 HydrophobicContact CB-CH2 4.48Å; E577-W877 HydrophobicContact CB-CZ2 3.72Å; E577-W877 HydrophobicContact CG-CH2 4.37Å; E577-W877 HydrophobicContact CG-CZ2 3.47Å; E577-W877 VanDerWaalsContact CG-CZ2 3.47Å; E577-S895 WeakPolarHBondContact OE2-CB 3.1Å; E577-S895 PolarHBondContact OE2-OG 3.42Å
578	T	97.8	Very high	95.6	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.3	159.1	173.9	0	0	0	0	109.8	L595 E596 I601 Y699 L753 F754	T578-L595 WeakPolarHBondContact O-CA 3.31Å; T578-E596 HydrophobicContact CG2-CB 3.56Å; T578-E596 HydrophobicContact CG2-CG 3.71Å; T578-E596 WeakPolarHBondContact CG2-OE2 3.29Å; T578-E596 PolarHBondContact O-N 3.44Å; T578-E596 VanDerWaalsContact O-N 3.09Å; T578-I601 HydrophobicContact CG2-CD1 3.79Å; T578-I601 HydrophobicContact CG2-CG1 4.17Å; T578-Y699 HydrophobicContact CG2-CE2 4.18Å; T578-L753 CarbonylContact C-O 3.53Å; T578-L753 WeakPolarHBondContact CA-O 3.18Å; T578-L753 WeakPolarHBondContact CB-O 3.35Å; T578-L753 PolarHBondContact OG1-O 2.68Å; T578-F754 WeakPolarHBondContact OG1-CE1 3.34Å
579	V	97.5	Very high	95.6	Very high	2 Å²	2	11.5 Å²	11.5	1%	0.012	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	128.9	168.4	64.1	0	0	0	0	110.3	T593 S594 L595 L753 F875 W877	V579-T593 HydrophobicContact CG2-CG2 3.79Å; V579-S594 VanDerWaalsContact CA-O 3.3Å; V579-S594 WeakPolarHBondContact CA-O 3.08Å; V579-L595 HydrophobicContact CB-CD1 3.98Å; V579-L595 HydrophobicContact CB-CG 4.42Å; V579-L595 HydrophobicContact CG2-CD1 3.66Å; V579-L753 HydrophobicContact CG1-CB 3.76Å; V579-L753 HydrophobicContact CG1-CD1 3.75Å; V579-L753 HydrophobicContact CG1-CG 4.21Å; V579-L753 PolarHBondContact N-O 3.24Å; V579-L753 PolarHBondContact O-N 2.6Å; V579-F875 HydrophobicContact CG1-CD2 3.91Å; V579-F875 HydrophobicContact CG1-CE2 4.33Å; V579-F875 HydrophobicContact CG1-CG 4.48Å; V579-F875 HydrophobicContact CG2-CD2 4.44Å; V579-F875 HydrophobicContact CG2-CE2 4.47Å; V579-W877 HydrophobicContact CB-CH2 4.21Å; V579-W877 HydrophobicContact CB-CZ2 4.43Å; V579-W877 HydrophobicContact CG1-CH2 3.65Å; V579-W877 HydrophobicContact CG1-CZ2 4.21Å; V579-W877 HydrophobicContact CG1-CZ3 4.4Å
580	T	96.5	Very high	95.4	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.018	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	115.8	169.7	-55.5	0	0	0	0	108.6	Y582 T593 S594 E596 Y699 H751 H752	T580-Y582 HydrophobicContact CG2-CD2 4.14Å; T580-Y582 HydrophobicContact CG2-CE2 3.45Å; T580-Y582 VanDerWaalsContact CG2-CE2 3.45Å; T580-T593 WeakPolarHBondContact O-CA 3.46Å; T580-S594 PolarHBondContact N-O 3.1Å; T580-S594 PolarHBondContact O-N 3.19Å; T580-E596 PolarHBondContact OG1-OE1 3.36Å; T580-Y699 PolarHBondContact OG1-OH 2.98Å; T580-H751 WeakPolarHBondContact CA-O 3.47Å; T580-H752 VanDerWaalsContact CG2-CE1 3.46Å; T580-H752 WeakPolarHBondContact CG2-CE1 3.36Å; T580-H752 PolarHBondContact OG1-CE1 3.18Å; T580-H752 PolarHBondContact OG1-ND1 2.93Å
581	S	95.6	Very high	95.1	Very high	1 Å²	1	18 Å²	18	1%	0.007	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126.9	-179	-177.4	0	0	0	0	109.8	W583 T593 H750 H751 Y871	S581-W583 WeakPolarHBondContact O-CH2 3.39Å; S581-W583 WeakPolarHBondContact O-CZ3 3.25Å; S581-W583 WeakPolarHBondContact OG-CH2 3.49Å; S581-W583 VanDerWaalsContact OG-CZ2 3.25Å; S581-W583 WeakPolarHBondContact OG-CZ2 3.49Å; S581-T593 VanDerWaalsContact CB-OG1 3.3Å; S581-T593 WeakPolarHBondContact CB-OG1 3.48Å; S581-T593 PolarHBondContact OG-OG1 3.28Å; S581-H750 CarbonylContact O-C 3.57Å; S581-H750 VanDerWaalsContact O-CA 3.25Å; S581-H750 WeakPolarHBondContact O-CA 3.15Å; S581-H750 VanDerWaalsContact O-CB 3.29Å; S581-H750 WeakPolarHBondContact O-CB 3.49Å; S581-H751 PolarHBondContact N-O 3.09Å; S581-H751 PolarHBondContact O-N 3.33Å; S581-Y871 PolarHBondContact OG-OH 3.38Å
582	Y	94.6	Very high	95	Very high	5 Å²	5	18.9 Å²	18.9	2%	0.02	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	157	-178.8	-69.4	-92.2	0	0	0	111.2	T580 M589 M592 H722 V748 H750	T580-Y582 HydrophobicContact CG2-CD2 4.14Å; T580-Y582 HydrophobicContact CG2-CE2 3.45Å; T580-Y582 VanDerWaalsContact CG2-CE2 3.45Å; Y582-M589 CarbonylContact C-O 3.49Å; Y582-M589 HydrophobicContact CD1-CE 3.51Å; Y582-M589 HydrophobicContact CE1-CE 4.29Å; Y582-M589 HydrophobicContact CG-CE 3.72Å; Y582-M592 HydrophobicContact CD2-CB 4.18Å; Y582-M592 HydrophobicContact CD2-CE 4.42Å; Y582-M592 HydrophobicContact CD2-CG 3.76Å; Y582-M592 HydrophobicContact CD2-SD 3.84Å; Y582-M592 HydrophobicContact CE2-CE 4.09Å; Y582-M592 HydrophobicContact CE2-CG 4.34Å; Y582-M592 HydrophobicContact CE2-SD 4.03Å; Y582-M592 PolarHBondContact N-O 2.87Å; Y582-H722 HydrophobicContact CD1-CB 4.44Å; Y582-H722 HydrophobicContact CE1-CB 3.56Å; Y582-V748 HydrophobicContact CD1-CG2 3.75Å; Y582-V748 HydrophobicContact CE1-CG2 4.31Å; Y582-H750 HydrophobicContact CD1-CB 3.44Å; Y582-H750 VanDerWaalsContact CD1-CB 3.44Å; Y582-H750 AromaticContact CD1-CG 3.83Å; Y582-H750 HydrophobicContact CE1-CB 3.69Å; Y582-H750 AromaticContact CE1-CD2 3.93Å; Y582-H750 AromaticContact CE1-CG 3.57Å; Y582-H750 AromaticContact CE1-ND1 3.8Å; Y582-H750 HydrophobicContact CG-CB 3.95Å
583	W	89.3	Confident	94.9	Very high	67 Å²	67	18.5 Å²	18.5	25%	0.254	9%	0.088	S	C	.	.			trans	-126.9	156.8	164.6	-67	-87.5	0	0	0	109.9	S581 Y736 V748 I749 H751 F867	S581-W583 WeakPolarHBondContact O-CH2 3.39Å; S581-W583 WeakPolarHBondContact O-CZ3 3.25Å; S581-W583 WeakPolarHBondContact OG-CH2 3.49Å; S581-W583 VanDerWaalsContact OG-CZ2 3.25Å; S581-W583 WeakPolarHBondContact OG-CZ2 3.49Å; W583-Y736 HydrophobicContact CB-CD1 3.93Å; W583-V748 VanDerWaalsContact O-CB 3.31Å; W583-V748 WeakPolarHBondContact O-CB 3.23Å; W583-V748 WeakPolarHBondContact O-CG1 3.25Å; W583-I749 HydrophobicContact CB-CG1 4.23Å; W583-I749 HydrophobicContact CE3-CG1 4.33Å; W583-I749 PolarHBondContact N-O 2.79Å; W583-H751 HydrophobicContact CH2-CB 4.07Å; W583-H751 HydrophobicContact CZ3-CB 3.93Å; W583-F867 AromaticContact CH2-CE1 3.28Å; W583-F867 HydrophobicContact CH2-CE1 3.28Å; W583-F867 HydrophobicContact CH2-CE2 4.18Å; W583-F867 AromaticContact CH2-CZ 3.1Å; W583-F867 HydrophobicContact CH2-CZ 3.1Å; W583-F867 AromaticContact CZ2-CD1 3.97Å; W583-F867 HydrophobicContact CZ2-CD1 3.97Å; W583-F867 AromaticContact CZ2-CE1 3.04Å; W583-F867 HydrophobicContact CZ2-CE1 3.04Å; W583-F867 HydrophobicContact CZ2-CE2 4.46Å; W583-F867 AromaticContact CZ2-CZ 3.39Å; W583-F867 HydrophobicContact CZ2-CZ 3.39Å; W583-F867 HydrophobicContact CZ3-CE1 4.43Å; W583-F867 HydrophobicContact CZ3-CZ 4.22Å
584	G	89	Confident	94.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.091	C	C	.	.			trans	-175	178.4	175.1	0	0	0	0	0	112.1	Q590	G584-Q590 WeakPolarHBondContact O-CG 3.13Å
585	K	87.4	Confident	94.7	Very high	121 Å²	121	18.8 Å²	18.8	53%	0.526	9%	0.091	S	C	.	.	S	Bend	trans	-76.2	-39.7	173	-178	-174.8	174.5	-171.9	0	110.8	Q590	K585-Q590 PolarHBondContact O-NE2 3.3Å
586	S	93.5	Very high	94.6	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.007	9%	0.092	C	C	.	.	S	Bend	trans	-76.9	149.3	-176.5	72.9	0	0	0	0	112.6	Q448 F588 M589 Q590 D724	Q448-S586 PolarHBondContact NE2-OG 3.39Å; Q448-S586 VanDerWaalsContact NE2-OG 3.08Å; S586-F588 VanDerWaalsContact C-N 3.27Å; S586-F588 PolarHBondContact O-N 2.76Å; S586-M589 PolarHBondContact O-N 3.39Å; S586-M589 VanDerWaalsContact O-N 3.15Å; S586-M589 WeakPolarHBondContact OG-CG 3.13Å; S586-Q590 WeakPolarHBondContact O-CG 3.42Å; S586-Q590 PolarHBondContact O-N 3.2Å; S586-D724 VanDerWaalsContact CB-OD2 3.24Å; S586-D724 WeakPolarHBondContact CB-OD2 3.27Å; S586-D724 PolarHBondContact OG-OD1 3Å; S586-D724 PolarHBondContact OG-OD2 3.19Å
587	P	95.2	Very high	94.5	Very high	17 Å²	17	19.2 Å²	19.2	11%	0.11	9%	0.093	C	C	.	.	H	α-helix	trans	-57.8	-37.3	179.6	-26	33.8	0	0	0	113.5	W430 W467 M472 M589 Q590 A591	W430-P587 HydrophobicContact CD2-CB 3.84Å; W430-P587 HydrophobicContact CE3-CB 3.91Å; W430-P587 HydrophobicContact CH2-CB 3.34Å; W430-P587 HydrophobicContact CH2-CG 3.69Å; W430-P587 HydrophobicContact CZ2-CB 3.28Å; W430-P587 HydrophobicContact CZ2-CG 4.05Å; W430-P587 HydrophobicContact CZ3-CB 3.67Å; W430-P587 HydrophobicContact CZ3-CG 4.07Å; W467-P587 HydrophobicContact CD2-CG 4.17Å; W467-P587 HydrophobicContact CE3-CG 3.57Å; W467-P587 HydrophobicContact CZ3-CG 4.03Å; M472-P587 HydrophobicContact SD-CG 3.95Å; P587-M589 PolarHBondContact O-N 3.48Å; P587-Q590 PolarHBondContact O-N 3.43Å; P587-A591 WeakPolarHBondContact O-CB 3.45Å; P587-A591 PolarHBondContact O-N 3.35Å
588	F	95.9	Very high	94.4	Very high	1 Å²	1	19.7 Å²	19.7	0%	0.004	10%	0.095	C	C	.	.	H	α-helix	trans	-56.6	-49.2	175.3	-175.1	-78.5	0	0	0	111.6	I413 F414 A415 W430 R432 Q448 S586 A591 M592 H722	I413-F588 HydrophobicContact CG1-CZ 4.3Å; I413-F588 WeakPolarHBondContact O-CE2 3.41Å; F414-F588 VanDerWaalsContact C-CE2 3.47Å; A415-F588 HydrophobicContact CB-CD1 4.33Å; A415-F588 HydrophobicContact CB-CD2 3.97Å; A415-F588 HydrophobicContact CB-CE1 4.08Å; A415-F588 HydrophobicContact CB-CE2 3.73Å; A415-F588 HydrophobicContact CB-CG 4.27Å; A415-F588 HydrophobicContact CB-CZ 3.79Å; A415-F588 VanDerWaalsContact N-CE2 3.27Å; W430-F588 HydrophobicContact CB-CB 4.49Å; W430-F588 HydrophobicContact CB-CD2 4.06Å; R432-F588 HydrophobicContact CB-CD2 3.76Å; R432-F588 HydrophobicContact CB-CE2 4.11Å; R432-F588 HydrophobicContact CB-CG 4.2Å; R432-F588 HydrophobicContact CG-CD1 4.33Å; R432-F588 HydrophobicContact CG-CD2 3.68Å; R432-F588 HydrophobicContact CG-CE1 4.28Å; R432-F588 HydrophobicContact CG-CE2 3.57Å; R432-F588 HydrophobicContact CG-CG 4.07Å; R432-F588 HydrophobicContact CG-CZ 3.9Å; R432-F588 VanDerWaalsContact NE-CE1 3.28Å; Q448-F588 VanDerWaalsContact CD-CB 3.46Å; Q448-F588 HydrophobicContact CG-CB 4.42Å; S586-F588 VanDerWaalsContact C-N 3.27Å; S586-F588 PolarHBondContact O-N 2.76Å; F588-A591 PolarHBondContact O-N 3.01Å; F588-M592 HydrophobicContact CE1-SD 3.7Å; F588-M592 HydrophobicContact CZ-SD 4.37Å; F588-M592 WeakPolarHBondContact O-CB 3.41Å; F588-M592 PolarHBondContact O-N 3.28Å; F588-H722 AromaticContact CE1-CE1 3.43Å; F588-H722 VanDerWaalsContact CE1-CE1 3.43Å; F588-H722 WeakPolarHBondContact CE1-CE1 3.36Å; F588-H722 AromaticContact CE1-NE2 3.57Å
589	M	94.4	Very high	94.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-70.4	-32.5	-179.6	-64	-45.1	-64.1	0	0	112.7	Y582 S586 P587 H722 D724 V748	Y582-M589 CarbonylContact C-O 3.49Å; Y582-M589 HydrophobicContact CD1-CE 3.51Å; Y582-M589 HydrophobicContact CE1-CE 4.29Å; Y582-M589 HydrophobicContact CG-CE 3.72Å; S586-M589 PolarHBondContact O-N 3.39Å; S586-M589 VanDerWaalsContact O-N 3.15Å; S586-M589 WeakPolarHBondContact OG-CG 3.13Å; P587-M589 PolarHBondContact O-N 3.48Å; M589-H722 WeakPolarHBondContact CE-ND1 2.96Å; M589-H722 PolarHBondContact SD-CE1 3.19Å; M589-H722 PolarHBondContact SD-ND1 3.27Å; M589-D724 HydrophobicContact CG-CB 4.02Å; M589-D724 VanDerWaalsContact CG-OD2 3.31Å; M589-D724 WeakPolarHBondContact CG-OD2 3.31Å; M589-V748 HydrophobicContact CE-CB 4.35Å; M589-V748 HydrophobicContact CE-CG1 4.34Å; M589-V748 HydrophobicContact CE-CG2 3.39Å; M589-V748 HydrophobicContact CG-CG1 4.36Å
590	Q	92.6	Very high	94	Very high	113 Å²	113	21.9 Å²	21.9	53%	0.528	11%	0.105	S	C	.	.	H	α-helix	trans	-68	-35.9	175.3	-68.4	-179.9	38.8	0	0	112.7	G584 K585 S586 P587	G584-Q590 WeakPolarHBondContact O-CG 3.13Å; K585-Q590 PolarHBondContact O-NE2 3.3Å; S586-Q590 WeakPolarHBondContact O-CG 3.42Å; S586-Q590 PolarHBondContact O-N 3.2Å; P587-Q590 PolarHBondContact O-N 3.43Å
591	A	92.9	Very high	94	Very high	25 Å²	25	21.7 Å²	21.7	21%	0.207	10%	0.104	C	C	.	.	H	α-helix	trans	-78.4	-22.6	-178.9	0	0	0	0	0	113	S416 P417 W430 P587 F588 T593	S416-A591 VanDerWaalsContact O-O 3.11Å; P417-A591 WeakPolarHBondContact CD-O 3.48Å; W430-A591 HydrophobicContact CG-CB 4.37Å; P587-A591 WeakPolarHBondContact O-CB 3.45Å; P587-A591 PolarHBondContact O-N 3.35Å; F588-A591 PolarHBondContact O-N 3.01Å; A591-T593 PolarHBondContact O-N 3.5Å
592	M	94.6	Very high	94	Very high	25 Å²	25	21.7 Å²	21.7	12%	0.123	10%	0.104	C	C	.	.			trans	-75.4	100.5	-166.3	-166.7	169.9	-175.6	0	0	112.8	A415 S416 Y582 F588	A415-M592 HydrophobicContact CB-CB 4.06Å; A415-M592 HydrophobicContact CB-CG 4.26Å; S416-M592 CarbonylContact O-C 3.57Å; S416-M592 VanDerWaalsContact O-CA 3.27Å; S416-M592 WeakPolarHBondContact O-CA 3.47Å; Y582-M592 HydrophobicContact CD2-CB 4.18Å; Y582-M592 HydrophobicContact CD2-CE 4.42Å; Y582-M592 HydrophobicContact CD2-CG 3.76Å; Y582-M592 HydrophobicContact CD2-SD 3.84Å; Y582-M592 HydrophobicContact CE2-CE 4.09Å; Y582-M592 HydrophobicContact CE2-CG 4.34Å; Y582-M592 HydrophobicContact CE2-SD 4.03Å; Y582-M592 PolarHBondContact N-O 2.87Å; F588-M592 HydrophobicContact CE1-SD 3.7Å; F588-M592 HydrophobicContact CZ-SD 4.37Å; F588-M592 WeakPolarHBondContact O-CB 3.41Å; F588-M592 PolarHBondContact O-N 3.28Å
593	T	95.6	Very high	94	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	112.4	168.1	-71.1	0	0	0	0	109.7	S416 P417 V579 T580 S581 A591 Y871 F875 L903	S416-T593 CarbonylContact C-O 3.4Å; S416-T593 PolarHBondContact O-N 3.49Å; P417-T593 WeakPolarHBondContact CD-O 3.23Å; V579-T593 HydrophobicContact CG2-CG2 3.79Å; T580-T593 WeakPolarHBondContact O-CA 3.46Å; S581-T593 VanDerWaalsContact CB-OG1 3.3Å; S581-T593 WeakPolarHBondContact CB-OG1 3.48Å; S581-T593 PolarHBondContact OG-OG1 3.28Å; A591-T593 PolarHBondContact O-N 3.5Å; T593-Y871 WeakPolarHBondContact CB-OH 3.36Å; T593-Y871 HydrophobicContact CG2-CE1 4.48Å; T593-Y871 PolarHBondContact OG1-OH 3.33Å; T593-F875 HydrophobicContact CG2-CE1 4.42Å; T593-F875 HydrophobicContact CG2-CZ 4.43Å; T593-L903 HydrophobicContact CG2-CD1 3.76Å
594	S	95.3	Very high	94.3	Very high	8 Å²	8	20.9 Å²	20.9	6%	0.056	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	117.3	-169.3	-160.9	0	0	0	0	111	V579 T580 F599	V579-S594 VanDerWaalsContact CA-O 3.3Å; V579-S594 WeakPolarHBondContact CA-O 3.08Å; T580-S594 PolarHBondContact N-O 3.1Å; T580-S594 PolarHBondContact O-N 3.19Å; S594-F599 VanDerWaalsContact OG-CE2 3.26Å; S594-F599 WeakPolarHBondContact OG-CE2 3.22Å
595	L	97.4	Very high	94.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	120.1	156.9	-81.8	60.5	0	0	0	106.8	E577 T578 V579 V598 S874 F875 N899 L903	E577-L595 HydrophobicContact CG-CB 4.38Å; E577-L595 HydrophobicContact CG-CD2 4.43Å; E577-L595 HydrophobicContact CG-CG 4.11Å; T578-L595 WeakPolarHBondContact O-CA 3.31Å; V579-L595 HydrophobicContact CB-CD1 3.98Å; V579-L595 HydrophobicContact CB-CG 4.42Å; V579-L595 HydrophobicContact CG2-CD1 3.66Å; L595-V598 WeakPolarHBondContact O-CG1 3.38Å; L595-S874 WeakPolarHBondContact CD2-O 3.4Å; L595-F875 HydrophobicContact CD1-CB 4.22Å; L595-F875 HydrophobicContact CD1-CD1 3.84Å; L595-F875 HydrophobicContact CD1-CG 4.21Å; L595-F875 HydrophobicContact CD2-CB 4.27Å; L595-F875 HydrophobicContact CG-CB 4.45Å; L595-N899 HydrophobicContact CD2-CB 3.81Å; L595-L903 HydrophobicContact CD1-CD2 3.67Å
596	E	96.1	Very high	95	Very high	12 Å²	12	16.9 Å²	16.9	6%	0.056	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-88.4	-13.3	-161.8	-60.2	179.3	-168.8	0	0	113.7	E577 T578 T580 V598 F599 G600 I601 L694 Y699	E577-E596 PolarHBondContact OE1-N 3Å; T578-E596 HydrophobicContact CG2-CB 3.56Å; T578-E596 HydrophobicContact CG2-CG 3.71Å; T578-E596 WeakPolarHBondContact CG2-OE2 3.29Å; T578-E596 PolarHBondContact O-N 3.44Å; T578-E596 VanDerWaalsContact O-N 3.09Å; T580-E596 PolarHBondContact OG1-OE1 3.36Å; E596-V598 PolarHBondContact O-N 3.24Å; E596-V598 VanDerWaalsContact O-N 3.09Å; E596-F599 PolarHBondContact O-N 3.15Å; E596-G600 PolarHBondContact O-N 3.49Å; E596-G600 VanDerWaalsContact O-N 3.12Å; E596-I601 HydrophobicContact CB-CG1 4.04Å; E596-L694 HydrophobicContact CB-CD2 4.06Å; E596-L694 WeakPolarHBondContact OE2-CD1 3.37Å; E596-Y699 PolarHBondContact OE1-OH 3.48Å; E596-Y699 WeakPolarHBondContact OE2-CE2 3.37Å
597	S	95.7	Very high	95.2	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.021	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-54.5	-26.5	169.2	69.4	0	0	0	0	113.2	E577 F599 G600 I897	E577-S597 WeakPolarHBondContact OE1-CB 3.11Å; E577-S597 PolarHBondContact OE1-N 2.83Å; E577-S597 PolarHBondContact OE1-OG 3.45Å; E577-S597 VanDerWaalsContact OE2-CB 3.3Å; E577-S597 WeakPolarHBondContact OE2-CB 3.31Å; E577-S597 PolarHBondContact OE2-OG 3.06Å; S597-F599 PolarHBondContact O-N 3.33Å; S597-G600 WeakPolarHBondContact O-CA 3.01Å; S597-G600 PolarHBondContact O-N 2.87Å; S597-I897 WeakPolarHBondContact O-CG2 3.35Å
598	V	94.9	Very high	95.4	Very high	9 Å²	9	20.4 Å²	20.4	6%	0.055	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-57.5	-32.6	174.3	73.3	0	0	0	0	112.6	P330 L595 E596 I897 V901	P330-V598 HydrophobicContact CB-CG2 4.16Å; P330-V598 HydrophobicContact CG-CG2 4.32Å; L595-V598 WeakPolarHBondContact O-CG1 3.38Å; E596-V598 PolarHBondContact O-N 3.24Å; E596-V598 VanDerWaalsContact O-N 3.09Å; V598-I897 WeakPolarHBondContact CG2-O 3.48Å; V598-V901 HydrophobicContact CG2-CG2 3.67Å
599	F	92.7	Very high	95.4	Very high	48 Å²	48	22.9 Å²	22.9	21%	0.211	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-28.3	174.4	-52.4	-58.8	0	0	0	111.6	F414 S416 S594 E596 S597 L694 F695	F414-F599 HydrophobicContact CE2-CE1 4.12Å; F414-F599 HydrophobicContact CE2-CZ 4.2Å; F414-F599 AromaticContact CZ-CE1 3.83Å; F414-F599 HydrophobicContact CZ-CE1 3.83Å; F414-F599 HydrophobicContact CZ-CZ 4.26Å; S416-F599 WeakPolarHBondContact OG-CZ 3.29Å; S594-F599 VanDerWaalsContact OG-CE2 3.26Å; S594-F599 WeakPolarHBondContact OG-CE2 3.22Å; E596-F599 PolarHBondContact O-N 3.15Å; S597-F599 PolarHBondContact O-N 3.33Å; F599-L694 HydrophobicContact CB-CD2 4.4Å; F599-F695 HydrophobicContact CB-CE2 4.46Å; F599-F695 AromaticContact CD1-CE2 3.94Å; F599-F695 HydrophobicContact CD1-CE2 3.94Å; F599-F695 AromaticContact CD1-CZ 3.84Å; F599-F695 HydrophobicContact CD1-CZ 3.84Å; F599-F695 AromaticContact CD2-CE2 3.71Å; F599-F695 HydrophobicContact CD2-CE2 3.71Å; F599-F695 HydrophobicContact CD2-CZ 4.43Å; F599-F695 HydrophobicContact CE1-CE2 4.03Å; F599-F695 AromaticContact CE1-CZ 3.99Å; F599-F695 HydrophobicContact CE1-CZ 3.99Å; F599-F695 AromaticContact CE2-CE2 3.75Å; F599-F695 HydrophobicContact CE2-CE2 3.75Å; F599-F695 AromaticContact CG-CE2 3.77Å; F599-F695 HydrophobicContact CG-CE2 3.77Å; F599-F695 HydrophobicContact CG-CZ 4.07Å; F599-F695 AromaticContact CZ-CE2 3.92Å; F599-F695 HydrophobicContact CZ-CE2 3.92Å; F599-F695 HydrophobicContact CZ-CZ 4.31Å
600	G	94	Very high	95.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.142	C	C	.	.			trans	95.8	96.7	-179.6	0	0	0	0	0	110.2	R553 E596 S597 G602 G603 M604	R553-G600 CarbonylContact O-C 3.42Å; R553-G600 VanDerWaalsContact O-C 3.26Å; R553-G600 WeakPolarHBondContact O-CA 3.33Å; E596-G600 PolarHBondContact O-N 3.49Å; E596-G600 VanDerWaalsContact O-N 3.12Å; S597-G600 WeakPolarHBondContact O-CA 3.01Å; S597-G600 PolarHBondContact O-N 2.87Å; G600-G602 VanDerWaalsContact C-N 3.27Å; G600-G602 PolarHBondContact O-N 2.69Å; G600-G603 CarbonylContact O-C 3.59Å; G600-G603 WeakPolarHBondContact O-CA 3.44Å; G600-G603 PolarHBondContact O-N 3.46Å; G600-M604 VanDerWaalsContact O-CG 3.3Å; G600-M604 WeakPolarHBondContact O-CG 3.28Å; G600-M604 PolarHBondContact O-N 2.89Å
601	I	96.9	Very high	95.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-42.8	-175.5	-58.7	159.9	0	0	0	110.4	R553 D554 L575 T578 E596 S692 L694 F701	R553-I601 PolarHBondContact O-N 2.65Å; D554-I601 PolarHBondContact O-N 3.03Å; D554-I601 VanDerWaalsContact O-N 3.12Å; L575-I601 HydrophobicContact CD2-CD1 3.77Å; L575-I601 HydrophobicContact CD2-CG2 3.87Å; T578-I601 HydrophobicContact CG2-CD1 3.79Å; T578-I601 HydrophobicContact CG2-CG1 4.17Å; E596-I601 HydrophobicContact CB-CG1 4.04Å; I601-S692 VanDerWaalsContact O-CB 3.29Å; I601-S692 WeakPolarHBondContact O-CB 3.23Å; I601-S692 PolarHBondContact O-OG 3.06Å; I601-L694 HydrophobicContact CG2-CD1 4.25Å; I601-F701 HydrophobicContact CG2-CE2 3.94Å; I601-F701 HydrophobicContact CG2-CZ 4.09Å
602	G	96.3	Very high	95.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-32.2	172.5	0	0	0	0	0	113.6	R552 R553 G600 M604 T605 L625	R552-G602 WeakPolarHBondContact O-CA 3.42Å; R553-G602 CarbonylContact O-C 3.1Å; R553-G602 VanDerWaalsContact O-CA 3.29Å; R553-G602 WeakPolarHBondContact O-CA 3.43Å; R553-G602 PolarHBondContact O-N 2.83Å; G600-G602 VanDerWaalsContact C-N 3.27Å; G600-G602 PolarHBondContact O-N 2.69Å; G602-M604 PolarHBondContact O-N 3.1Å; G602-T605 WeakPolarHBondContact O-CB 3.37Å; G602-T605 PolarHBondContact O-N 3.3Å; G602-T605 PolarHBondContact O-OG1 3.42Å; G602-L625 WeakPolarHBondContact O-CD1 3.3Å
603	G	94.2	Very high	95.7	Very high	2 Å²	2	28.8 Å²	28.8	2%	0.021	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-31.3	170.9	0	0	0	0	0	112.6	R553 G600 T605 K634	R553-G603 PolarHBondContact O-N 2.72Å; G600-G603 CarbonylContact O-C 3.59Å; G600-G603 WeakPolarHBondContact O-CA 3.44Å; G600-G603 PolarHBondContact O-N 3.46Å; G603-T605 VanDerWaalsContact C-N 3.3Å; G603-T605 PolarHBondContact O-N 3.39Å; G603-K634 PolarHBondContact O-NZ 3.12Å
604	M	95.1	Very high	95.8	Very high	54 Å²	54	29 Å²	29	27%	0.266	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	12.8	175.2	-59.8	-56.8	-66.4	0	0	113.8	G600 G602 S606 S692 T693 L694	G600-M604 VanDerWaalsContact O-CG 3.3Å; G600-M604 WeakPolarHBondContact O-CG 3.28Å; G600-M604 PolarHBondContact O-N 2.89Å; G602-M604 PolarHBondContact O-N 3.1Å; M604-S606 PolarHBondContact O-N 3.4Å; M604-S692 CarbonylContact O-C 3.54Å; M604-S692 WeakPolarHBondContact O-CA 3.07Å; M604-T693 WeakPolarHBondContact CE-O 3.1Å; M604-T693 PolarHBondContact O-N 3.15Å; M604-L694 HydrophobicContact CB-CD2 4.07Å; M604-L694 HydrophobicContact CB-CG 4.02Å; M604-L694 HydrophobicContact CG-CD2 3.74Å; M604-L694 HydrophobicContact CG-CG 4.21Å
605	T	97	Very high	95.7	Very high	7 Å²	7	30 Å²	30	4%	0.043	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-56.2	130.6	170.5	-59.2	0	0	0	0	109.6	G602 G603 I636 T690 I691	G602-T605 WeakPolarHBondContact O-CB 3.37Å; G602-T605 PolarHBondContact O-N 3.3Å; G602-T605 PolarHBondContact O-OG1 3.42Å; G603-T605 VanDerWaalsContact C-N 3.3Å; G603-T605 PolarHBondContact O-N 3.39Å; T605-I636 HydrophobicContact CG2-CD1 3.7Å; T605-I636 WeakPolarHBondContact O-CD1 3.28Å; T605-T690 VanDerWaalsContact CG2-OG1 3.31Å; T605-T690 WeakPolarHBondContact CG2-OG1 3Å; T605-I691 CarbonylContact C-O 3.58Å; T605-I691 WeakPolarHBondContact CA-O 3.42Å
606	S	95.4	Very high	95.4	Very high	30 Å²	30	36.7 Å²	36.7	21%	0.21	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-102.3	160.6	178.5	56.1	0	0	0	0	111.7	M604 L608 I691 T693	M604-S606 PolarHBondContact O-N 3.4Å; S606-L608 PolarHBondContact O-N 3.13Å; S606-I691 PolarHBondContact N-O 3.08Å; S606-I691 PolarHBondContact OG-O 3.3Å; S606-T693 VanDerWaalsContact CB-OG1 3.28Å; S606-T693 WeakPolarHBondContact CB-OG1 3.31Å; S606-T693 PolarHBondContact OG-OG1 3.28Å
607	E	97.4	Very high	94.9	Very high	90 Å²	90	41.6 Å²	41.6	42%	0.421	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-70.2	120.3	178.5	-173	74.6	-148.7	0	0	109.8	I636 K637 N638	E607-I636 HydrophobicContact CB-CG2 4.4Å; E607-I636 VanDerWaalsContact OE2-CG2 3.26Å; E607-I636 WeakPolarHBondContact OE2-CG2 3.25Å; E607-K637 WeakPolarHBondContact OE1-CB 3.44Å; E607-K637 PolarHBondContact OE2-N 3.23Å; E607-N638 WeakPolarHBondContact OE1-CA 3.35Å; E607-N638 WeakPolarHBondContact OE1-CB 3.3Å; E607-N638 VanDerWaalsContact OE1-CG 3.29Å; E607-N638 PolarHBondContact OE1-N 3.22Å
608	L	98.2	Very high	94.8	Very high	1 Å²	1	42 Å²	42	1%	0.005	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-74.6	131.2	179.9	-59	171.7	0	0	0	110.9	S606 P610 D613 Y620 N638 C641 I691	S606-L608 PolarHBondContact O-N 3.13Å; L608-P610 WeakPolarHBondContact O-CD 3.09Å; L608-D613 HydrophobicContact CB-CB 4.38Å; L608-D613 HydrophobicContact CD2-CB 4.14Å; L608-Y620 HydrophobicContact CB-CD1 4.49Å; L608-Y620 HydrophobicContact CB-CE1 4.23Å; L608-N638 HydrophobicContact CB-CB 4.12Å; L608-N638 WeakPolarHBondContact CB-O 3.08Å; L608-N638 VanDerWaalsContact CG-O 3.26Å; L608-N638 WeakPolarHBondContact CG-O 3.3Å; L608-N638 PolarHBondContact N-O 3.3Å; L608-N638 WeakPolarHBondContact O-CB 3.35Å; L608-N638 PolarHBondContact O-ND2 3.15Å; L608-C641 HydrophobicContact CD1-CB 3.88Å; L608-I691 HydrophobicContact CD2-CB 3.87Å; L608-I691 HydrophobicContact CD2-CD1 3.69Å; L608-I691 HydrophobicContact CD2-CG1 3.58Å
609	S	96.4	Very high	94.9	Very high	53 Å²	53	42.4 Å²	42.4	37%	0.371	24%	0.239	S	C	.	.			trans	-91.9	113.9	-178.7	-178.8	0	0	0	0	112.1	G611 L612 D613	S609-G611 PolarHBondContact O-N 3.01Å; S609-L612 PolarHBondContact O-N 2.64Å; S609-L612 VanDerWaalsContact O-N 3.12Å; S609-D613 VanDerWaalsContact CB-OD2 3.31Å; S609-D613 WeakPolarHBondContact CB-OD2 3.38Å; S609-D613 PolarHBondContact N-OD2 2.86Å; S609-D613 PolarHBondContact O-N 2.92Å
610	P	95.1	Very high	95	Very high	60 Å²	60	41.6 Å²	41.6	39%	0.39	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-64.1	125.5	178.3	-21.9	33.8	0	0	0	113.3	L608 Y620	L608-P610 WeakPolarHBondContact O-CD 3.09Å; P610-Y620 VanDerWaalsContact CA-OH 3.25Å; P610-Y620 WeakPolarHBondContact CA-OH 3.26Å; P610-Y620 HydrophobicContact CB-CE2 4.25Å; P610-Y620 WeakPolarHBondContact CB-OH 3.43Å; P610-Y620 HydrophobicContact CG-CE1 4.24Å; P610-Y620 HydrophobicContact CG-CE2 4.07Å
611	G	93.6	Very high	95.1	Very high	52 Å²	52	41.6 Å²	41.6	54%	0.536	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.1	-13.2	-176.1	0	0	0	0	0	114.6	S609 C614	S609-G611 PolarHBondContact O-N 3.01Å; G611-C614 WeakPolarHBondContact CA-O 3.4Å; G611-C614 PolarHBondContact N-O 2.97Å
612	L	95.4	Very high	95	Very high	139 Å²	139	42 Å²	42	73%	0.728	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.9	-61.6	173.6	177.9	65.7	0	0	0	110.3	S609	S609-L612 PolarHBondContact O-N 2.64Å; S609-L612 VanDerWaalsContact O-N 3.12Å
613	D	97.5	Very high	95.1	Very high	37 Å²	37	42.1 Å²	42.1	20%	0.198	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-34.9	-176.2	-60.1	-39.1	0	0	0	111.5	L608 S609 R689 I691	L608-D613 HydrophobicContact CB-CB 4.38Å; L608-D613 HydrophobicContact CD2-CB 4.14Å; S609-D613 VanDerWaalsContact CB-OD2 3.31Å; S609-D613 WeakPolarHBondContact CB-OD2 3.38Å; S609-D613 PolarHBondContact N-OD2 2.86Å; S609-D613 PolarHBondContact O-N 2.92Å; D613-R689 PolarHBondContact O-NH1 3.05Å; D613-I691 HydrophobicContact CB-CD1 3.85Å
614	C	96.3	Very high	95.1	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.034	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-141.4	160.2	179.6	-45	0	0	0	0	110.4	G611 A618 Y620 C641 F643	G611-C614 WeakPolarHBondContact CA-O 3.4Å; G611-C614 PolarHBondContact N-O 2.97Å; C614-A618 HydrophobicContact CB-CB 4.14Å; C614-Y620 HydrophobicContact CB-CE1 4.08Å; C614-Y620 WeakPolarHBondContact CB-OH 3.26Å; C614-C641 HydrophobicContact CB-CB 3.67Å; C614-C641 WeakPolarHBondContact CB-SG 3.47Å; C614-C641 WeakPolarHBondContact SG-CB 3.37Å; C614-C641 CovalentContact SG-SG 2.01Å; C614-C641 PolarHBondContact SG-SG 2.78Å; C614-F643 HydrophobicContact CB-CD1 4.26Å; C614-F643 HydrophobicContact CB-CE1 4.24Å
615	P	94.7	Very high	95	Very high	28 Å²	28	41.7 Å²	41.7	18%	0.182	23%	0.234	C	C	.	.			trans	-53.6	145.5	172.2	-26.5	36	0	0	0	112.4	N617 A618 Y620 F643 W645	P615-N617 WeakPolarHBondContact CB-OD1 3.4Å; P615-N617 PolarHBondContact O-N 3.09Å; P615-N617 VanDerWaalsContact O-N 3.14Å; P615-A618 WeakPolarHBondContact O-CB 3.4Å; P615-A618 PolarHBondContact O-N 3.24Å; P615-Y620 PolarHBondContact O-OH 2.71Å; P615-F643 HydrophobicContact CG-CB 4.02Å; P615-F643 HydrophobicContact CG-CD2 3.65Å; P615-F643 HydrophobicContact CG-CE2 4.21Å; P615-F643 HydrophobicContact CG-CG 3.83Å; P615-W645 HydrophobicContact CG-CE3 4.16Å; P615-W645 HydrophobicContact CG-CZ3 3.97Å
616	K	90.1	Very high	94.8	Very high	141 Å²	141	41.4 Å²	41.4	61%	0.613	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-31.6	-178.7	-71	-175.6	176.3	-178.5	0	113.4
617	N	86.5	Confident	94.4	Very high	114 Å²	114	41.9 Å²	41.9	61%	0.61	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.6	13.3	179.7	68	-37.7	0	0	0	113.5	P615	P615-N617 WeakPolarHBondContact CB-OD1 3.4Å; P615-N617 PolarHBondContact O-N 3.09Å; P615-N617 VanDerWaalsContact O-N 3.14Å
618	A	94.1	Very high	93.8	Very high	13 Å²	13	38.2 Å²	38.2	11%	0.107	22%	0.216	C	C	.	.	S	Bend	trans	-61.9	155	172	0	0	0	0	0	111	C614 P615 Y620 C641 L642 F643	C614-A618 HydrophobicContact CB-CB 4.14Å; P615-A618 WeakPolarHBondContact O-CB 3.4Å; P615-A618 PolarHBondContact O-N 3.24Å; A618-Y620 HydrophobicContact CB-CD2 4.49Å; A618-Y620 HydrophobicContact CB-CE2 3.84Å; A618-Y620 VanDerWaalsContact O-CD2 3.24Å; A618-Y620 WeakPolarHBondContact O-CD2 3.32Å; A618-Y620 WeakPolarHBondContact O-CE2 3.44Å; A618-C641 HydrophobicContact CB-CB 4.28Å; A618-L642 WeakPolarHBondContact CA-O 3.36Å; A618-F643 HydrophobicContact CB-CB 3.94Å; A618-F643 HydrophobicContact CB-CD1 4.45Å
619	I	95.1	Very high	92.9	Very high	16 Å²	16	38.1 Å²	38.1	8%	0.082	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	119.3	168.9	-62.1	165.5	0	0	0	107.2	I164 L166 I533 V535 L621 C641 L642	I164-I619 HydrophobicContact CD1-CD1 4.14Å; I164-I619 HydrophobicContact CD1-CG1 4.36Å; I164-I619 HydrophobicContact CG2-CG2 4.47Å; L166-I619 HydrophobicContact CD2-CG2 4.22Å; I533-I619 HydrophobicContact CB-CD1 3.93Å; I533-I619 HydrophobicContact CD1-CD1 4.43Å; I533-I619 HydrophobicContact CG2-CD1 3.81Å; V535-I619 HydrophobicContact CG2-CD1 4.21Å; V535-I619 HydrophobicContact CG2-CG2 4.35Å; I619-L621 HydrophobicContact CG2-CD2 4.06Å; I619-C641 CarbonylContact O-C 3.52Å; I619-C641 WeakPolarHBondContact O-CA 3.35Å; I619-L642 HydrophobicContact CB-CB 4.21Å; I619-L642 HydrophobicContact CB-CD1 4.46Å; I619-L642 HydrophobicContact CG2-CD1 4.32Å; I619-L642 PolarHBondContact N-O 3.46Å; I619-L642 PolarHBondContact O-N 2.93Å
620	Y	95.2	Very high	91.9	Very high	31 Å²	31	36.9 Å²	36.9	12%	0.122	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	128.3	176.5	-63.9	-89.9	0	0	0	109.9	L608 P610 C614 P615 A618 N638 I640 C641	L608-Y620 HydrophobicContact CB-CD1 4.49Å; L608-Y620 HydrophobicContact CB-CE1 4.23Å; P610-Y620 VanDerWaalsContact CA-OH 3.25Å; P610-Y620 WeakPolarHBondContact CA-OH 3.26Å; P610-Y620 HydrophobicContact CB-CE2 4.25Å; P610-Y620 WeakPolarHBondContact CB-OH 3.43Å; P610-Y620 HydrophobicContact CG-CE1 4.24Å; P610-Y620 HydrophobicContact CG-CE2 4.07Å; C614-Y620 HydrophobicContact CB-CE1 4.08Å; C614-Y620 WeakPolarHBondContact CB-OH 3.26Å; P615-Y620 PolarHBondContact O-OH 2.71Å; A618-Y620 HydrophobicContact CB-CD2 4.49Å; A618-Y620 HydrophobicContact CB-CE2 3.84Å; A618-Y620 VanDerWaalsContact O-CD2 3.24Å; A618-Y620 WeakPolarHBondContact O-CD2 3.32Å; A618-Y620 WeakPolarHBondContact O-CE2 3.44Å; Y620-N638 WeakPolarHBondContact CB-OD1 3.47Å; Y620-N638 HydrophobicContact CD1-CB 3.65Å; Y620-N638 HydrophobicContact CE1-CB 4.39Å; Y620-N638 HydrophobicContact CG-CB 4.2Å; Y620-I640 CarbonylContact C-O 3.59Å; Y620-I640 WeakPolarHBondContact CA-O 3.43Å; Y620-C641 HydrophobicContact CD1-CB 3.7Å; Y620-C641 HydrophobicContact CE1-CB 3.63Å
621	L	96.1	Very high	91.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	132.6	173.7	-52	-177.7	0	0	0	109.5	L166 V535 I540 V549 I619 G639 I640 L642	L166-L621 HydrophobicContact CD2-CD2 3.61Å; V535-L621 HydrophobicContact CG1-CD2 4.03Å; I540-L621 HydrophobicContact CD1-CD1 4.33Å; V549-L621 HydrophobicContact CG1-CD1 4.03Å; I619-L621 HydrophobicContact CG2-CD2 4.06Å; L621-G639 PolarHBondContact O-N 2.86Å; L621-I640 HydrophobicContact CB-CB 4.12Å; L621-I640 HydrophobicContact CB-CD1 4.5Å; L621-I640 HydrophobicContact CD1-CB 4.5Å; L621-I640 HydrophobicContact CD1-CD1 4.37Å; L621-I640 HydrophobicContact CD1-CG2 4.42Å; L621-I640 PolarHBondContact N-O 3.29Å; L621-I640 PolarHBondContact O-N 2.99Å; L621-L642 HydrophobicContact CD1-CD1 4.07Å; L621-L642 HydrophobicContact CD1-CG 4.42Å; L621-L642 HydrophobicContact CD2-CD1 4.4Å; L621-L642 HydrophobicContact CG-CD1 4.25Å; L621-L642 HydrophobicContact CG-CG 4.48Å
622	P	96.2	Very high	90.9	Very high	10 Å²	10	33 Å²	33	7%	0.065	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	146.9	174.9	29.1	-34.4	0	0	0	110.8	F168 R538 L635 I636 K637	F168-P622 HydrophobicContact CE1-CB 4.48Å; F168-P622 HydrophobicContact CE1-CG 4.4Å; F168-P622 WeakPolarHBondContact CE1-O 3.21Å; F168-P622 HydrophobicContact CE2-CG 4.18Å; F168-P622 HydrophobicContact CZ-CB 3.9Å; F168-P622 HydrophobicContact CZ-CG 3.81Å; R538-P622 PolarHBondContact NH2-O 2.74Å; P622-L635 HydrophobicContact CB-CD1 3.86Å; P622-I636 CarbonylContact C-O 3.56Å; P622-I636 VanDerWaalsContact CA-O 3.25Å; P622-I636 WeakPolarHBondContact CA-O 3.35Å; P622-K637 WeakPolarHBondContact CA-O 3.3Å
623	V	96.5	Very high	90.8	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.012	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	130	176.4	168.1	0	0	0	0	108.6	V551 L625 I636 I640	V551-V623 HydrophobicContact CB-CG1 3.87Å; V551-V623 HydrophobicContact CB-CG2 4.26Å; V551-V623 HydrophobicContact CG1-CG1 4.12Å; V551-V623 HydrophobicContact CG2-CG1 4.4Å; V551-V623 HydrophobicContact CG2-CG2 3.96Å; V623-L625 HydrophobicContact CG1-CD1 3.79Å; V623-L625 HydrophobicContact CG1-CD2 4.27Å; V623-L625 HydrophobicContact CG1-CG 3.75Å; V623-I636 HydrophobicContact CB-CB 4.41Å; V623-I636 PolarHBondContact N-O 3.48Å; V623-I636 PolarHBondContact O-N 3.41Å; V623-I640 HydrophobicContact CG2-CD1 3.89Å; V623-I640 HydrophobicContact CG2-CG1 3.76Å
624	R	94.4	Very high	90.4	Very high	47 Å²	47	27.2 Å²	27.2	18%	0.177	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	138.3	173.1	63.5	180	53.6	161.2	-10.4	109	F168 E173 N175 K634	F168-R624 HydrophobicContact CD1-CB 4.49Å; F168-R624 HydrophobicContact CD1-CG 3.81Å; F168-R624 HydrophobicContact CE1-CB 3.85Å; F168-R624 HydrophobicContact CE1-CG 3.67Å; F168-R624 VanDerWaalsContact CE1-NE 3.31Å; F168-R624 HydrophobicContact CZ-CB 4.34Å; F168-R624 HydrophobicContact CZ-CG 4.5Å; E173-R624 HydrophobicContact CB-CG 4.35Å; E173-R624 WeakPolarHBondContact CB-O 3.28Å; E173-R624 WeakPolarHBondContact O-CD 3.31Å; N175-R624 VanDerWaalsContact CB-NH1 3.29Å; R624-K634 VanDerWaalsContact CA-O 3.31Å; R624-K634 WeakPolarHBondContact CA-O 3.49Å
625	L	93.9	Very high	90.2	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	156.2	-176.4	-69.1	159.6	0	0	0	109.7	E173 V551 R553 G602 V623 P633 K634 I636	E173-L625 HydrophobicContact CG-CD2 4.19Å; V551-L625 HydrophobicContact CG1-CD2 4.27Å; R553-L625 HydrophobicContact CB-CD2 4.21Å; G602-L625 WeakPolarHBondContact O-CD1 3.3Å; V623-L625 HydrophobicContact CG1-CD1 3.79Å; V623-L625 HydrophobicContact CG1-CD2 4.27Å; V623-L625 HydrophobicContact CG1-CG 3.75Å; L625-P633 CarbonylContact O-C 3.51Å; L625-P633 VanDerWaalsContact O-CA 3.29Å; L625-P633 WeakPolarHBondContact O-CA 3.42Å; L625-K634 HydrophobicContact CB-CG 4.27Å; L625-K634 PolarHBondContact N-O 2.58Å; L625-K634 PolarHBondContact O-N 3.09Å; L625-I636 HydrophobicContact CD1-CD1 3.65Å
626	I	92.3	Very high	90.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	91.3	172.4	-52.6	-177.7	0	0	0	107.3	P174 Y179 L241 R553 S628 P633	P174-I626 HydrophobicContact CB-CD1 3.97Å; P174-I626 HydrophobicContact CG-CD1 4.23Å; Y179-I626 HydrophobicContact CD2-CD1 3.79Å; Y179-I626 HydrophobicContact CD2-CG2 4.36Å; Y179-I626 HydrophobicContact CE2-CG2 4.19Å; Y179-I626 HydrophobicContact CG-CD1 4.45Å; L241-I626 HydrophobicContact CB-CD1 4.4Å; L241-I626 HydrophobicContact CD2-CD1 4.4Å; L241-I626 WeakPolarHBondContact O-CD1 3.18Å; R553-I626 WeakPolarHBondContact CD-O 3.05Å; R553-I626 PolarHBondContact NH1-O 2.84Å; I626-S628 PolarHBondContact O-N 2.95Å; I626-P633 HydrophobicContact CD1-CB 4.4Å; I626-P633 HydrophobicContact CD1-CG 3.98Å; I626-P633 HydrophobicContact CG1-CB 3.95Å; I626-P633 HydrophobicContact CG1-CG 4.01Å
627	D	86.5	Confident	90.4	Very high	40 Å²	40	25.4 Å²	25.4	21%	0.214	13%	0.129	C	C	.	.	S	Bend	trans	-62.4	-34.2	-177.1	-63.7	-9.6	0	0	0	112.2	R553 K634	R553-D627 PolarHBondContact NH1-O 2.82Å; R553-D627 PolarHBondContact NH2-O 3.14Å; D627-K634 VanDerWaalsContact CG-CE 3.46Å; D627-K634 WeakPolarHBondContact OD1-CE 3.25Å; D627-K634 IonicContact OD1-NZ 3.69Å; D627-K634 PolarHBondContact OD1-NZ 3.39Å; D627-K634 VanDerWaalsContact OD2-CD 3.29Å; D627-K634 WeakPolarHBondContact OD2-CD 3.12Å; D627-K634 WeakPolarHBondContact OD2-CE 3.49Å; D627-K634 IonicContact OD2-NZ 2.74Å; D627-K634 PolarHBondContact OD2-NZ 3.12Å
628	S	84.9	Confident	90.8	Very high	13 Å²	13	21.8 Å²	21.8	9%	0.091	11%	0.11	C	C	.	.			trans	-159.9	160.7	173.4	69.2	0	0	0	0	109.9	W239 I626 E630 T631 G632	W239-S628 CarbonylContact O-C 3.53Å; W239-S628 VanDerWaalsContact O-CA 3.3Å; W239-S628 WeakPolarHBondContact O-CA 3.18Å; I626-S628 PolarHBondContact O-N 2.95Å; S628-E630 PolarHBondContact O-N 3.35Å; S628-E630 WeakPolarHBondContact OG-CG 3.29Å; S628-E630 PolarHBondContact OG-N 3.3Å; S628-T631 PolarHBondContact N-OG1 3.44Å; S628-T631 PolarHBondContact O-N 3.43Å; S628-T631 PolarHBondContact O-OG1 2.77Å; S628-T631 WeakPolarHBondContact OG-CG2 3.25Å; S628-T631 PolarHBondContact OG-N 2.84Å; S628-T631 VanDerWaalsContact OG-N 3.09Å; S628-T631 PolarHBondContact OG-OG1 3.27Å; S628-G632 PolarHBondContact O-N 2.71Å
629	G	80.7	Confident	90.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-10.4	169.7	0	0	0	0	0	113.5	Y179 A195 F196 L238 W239	Y179-G629 PolarHBondContact OH-O 3.5Å; A195-G629 CarbonylContact C-O 3.6Å; A195-G629 WeakPolarHBondContact CA-O 3.46Å; F196-G629 WeakPolarHBondContact CB-O 3.41Å; F196-G629 PolarHBondContact N-O 2.78Å; L238-G629 VanDerWaalsContact O-CA 3.23Å; L238-G629 WeakPolarHBondContact O-CA 3.3Å; W239-G629 PolarHBondContact O-N 2.81Å
630	E	74.2	Confident	91.1	Very high	26 Å²	26	20.4 Å²	20.4	12%	0.121	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-25.4	173.9	80.2	169.7	-123.9	0	0	114.8	Y194 F196 Y237 N333 S628	Y194-E630 HydrophobicContact CE1-CB 3.99Å; F196-E630 VanDerWaalsContact CB-O 3.31Å; F196-E630 WeakPolarHBondContact CB-O 3.44Å; F196-E630 VanDerWaalsContact CD2-O 3.24Å; F196-E630 WeakPolarHBondContact CD2-O 3.31Å; Y237-E630 HydrophobicContact CE2-CB 4.32Å; Y237-E630 WeakPolarHBondContact OH-CB 3.48Å; Y237-E630 WeakPolarHBondContact OH-CG 3.2Å; Y237-E630 PolarHBondContact OH-OE2 2.95Å; N333-E630 WeakPolarHBondContact CB-OE1 3.11Å; N333-E630 WeakPolarHBondContact CB-OE2 3.32Å; N333-E630 PolarHBondContact ND2-OE1 3.49Å; S628-E630 PolarHBondContact O-N 3.35Å; S628-E630 WeakPolarHBondContact OG-CG 3.29Å; S628-E630 PolarHBondContact OG-N 3.3Å
631	T	82	Confident	91.2	Very high	29 Å²	29	18.9 Å²	18.9	18%	0.178	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-27	176.7	54.9	0	0	0	0	111.2	S628	S628-T631 PolarHBondContact N-OG1 3.44Å; S628-T631 PolarHBondContact O-N 3.43Å; S628-T631 PolarHBondContact O-OG1 2.77Å; S628-T631 WeakPolarHBondContact OG-CG2 3.25Å; S628-T631 PolarHBondContact OG-N 2.84Å; S628-T631 VanDerWaalsContact OG-N 3.09Å; S628-T631 PolarHBondContact OG-OG1 3.27Å
632	G	86.7	Confident	91.3	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.01	10%	0.095	C	C	.	.			trans	70.7	-169.2	-173.6	0	0	0	0	0	112.3	S628	S628-G632 PolarHBondContact O-N 2.71Å
633	P	91.9	Very high	91.2	Very high	11 Å²	11	19 Å²	19	7%	0.071	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	141.6	-178.9	-13.8	28.1	0	0	0	112.3	N176 Y179 L625 I626	N176-P633 WeakPolarHBondContact OD1-CB 3.24Å; Y179-P633 HydrophobicContact CD1-CG 4.05Å; Y179-P633 HydrophobicContact CD2-CG 4.12Å; Y179-P633 HydrophobicContact CG-CG 3.64Å; L625-P633 CarbonylContact O-C 3.51Å; L625-P633 VanDerWaalsContact O-CA 3.29Å; L625-P633 WeakPolarHBondContact O-CA 3.42Å; I626-P633 HydrophobicContact CD1-CB 4.4Å; I626-P633 HydrophobicContact CD1-CG 3.98Å; I626-P633 HydrophobicContact CG1-CB 3.95Å; I626-P633 HydrophobicContact CG1-CG 4.01Å
634	K	89.6	Confident	91.1	Very high	44 Å²	44	20.4 Å²	20.4	19%	0.191	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	155.5	171.1	72	177.6	-175	-169.4	0	110.4	G603 R624 L625 D627	G603-K634 PolarHBondContact O-NZ 3.12Å; R624-K634 VanDerWaalsContact CA-O 3.31Å; R624-K634 WeakPolarHBondContact CA-O 3.49Å; L625-K634 HydrophobicContact CB-CG 4.27Å; L625-K634 PolarHBondContact N-O 2.58Å; L625-K634 PolarHBondContact O-N 3.09Å; D627-K634 VanDerWaalsContact CG-CE 3.46Å; D627-K634 WeakPolarHBondContact OD1-CE 3.25Å; D627-K634 IonicContact OD1-NZ 3.69Å; D627-K634 PolarHBondContact OD1-NZ 3.39Å; D627-K634 VanDerWaalsContact OD2-CD 3.29Å; D627-K634 WeakPolarHBondContact OD2-CD 3.12Å; D627-K634 WeakPolarHBondContact OD2-CE 3.49Å; D627-K634 IonicContact OD2-NZ 2.74Å; D627-K634 PolarHBondContact OD2-NZ 3.12Å
635	L	93.2	Very high	90.9	Very high	63 Å²	63	23 Å²	23	33%	0.33	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	120	175.7	178.6	65.8	0	0	0	108.9	F168 P622	F168-L635 HydrophobicContact CE1-CD1 4.43Å; F168-L635 HydrophobicContact CZ-CD1 3.62Å; P622-L635 HydrophobicContact CB-CD1 3.86Å
636	I	94.7	Very high	90.5	Very high	11 Å²	11	26.2 Å²	26.2	6%	0.056	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	122	166.6	-55	174.1	0	0	0	106.1	T605 E607 P622 V623 L625	T605-I636 HydrophobicContact CG2-CD1 3.7Å; T605-I636 WeakPolarHBondContact O-CD1 3.28Å; E607-I636 HydrophobicContact CB-CG2 4.4Å; E607-I636 VanDerWaalsContact OE2-CG2 3.26Å; E607-I636 WeakPolarHBondContact OE2-CG2 3.25Å; P622-I636 CarbonylContact C-O 3.56Å; P622-I636 VanDerWaalsContact CA-O 3.25Å; P622-I636 WeakPolarHBondContact CA-O 3.35Å; V623-I636 HydrophobicContact CB-CB 4.41Å; V623-I636 PolarHBondContact N-O 3.48Å; V623-I636 PolarHBondContact O-N 3.41Å; L625-I636 HydrophobicContact CD1-CD1 3.65Å
637	K	93.4	Very high	90	Very high	62 Å²	62	27.3 Å²	27.3	27%	0.27	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	-42.9	-172.2	-65.1	-179.5	175.8	-175.9	0	110.3	I148 E152 E607 P622	I148-K637 VanDerWaalsContact CD1-NZ 3.33Å; E152-K637 IonicContact OE2-NZ 3.27Å; E152-K637 PolarHBondContact OE2-NZ 3.12Å; E607-K637 WeakPolarHBondContact OE1-CB 3.44Å; E607-K637 PolarHBondContact OE2-N 3.23Å; P622-K637 WeakPolarHBondContact CA-O 3.3Å
638	N	95.7	Very high	89.8	Confident	38 Å²	38	29.6 Å²	29.6	20%	0.203	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	73.1	176.9	-59.8	-19.9	0	0	0	109.3	E607 L608 Y620	E607-N638 WeakPolarHBondContact OE1-CA 3.35Å; E607-N638 WeakPolarHBondContact OE1-CB 3.3Å; E607-N638 VanDerWaalsContact OE1-CG 3.29Å; E607-N638 PolarHBondContact OE1-N 3.22Å; L608-N638 HydrophobicContact CB-CB 4.12Å; L608-N638 WeakPolarHBondContact CB-O 3.08Å; L608-N638 VanDerWaalsContact CG-O 3.26Å; L608-N638 WeakPolarHBondContact CG-O 3.3Å; L608-N638 PolarHBondContact N-O 3.3Å; L608-N638 WeakPolarHBondContact O-CB 3.35Å; L608-N638 PolarHBondContact O-ND2 3.15Å; Y620-N638 WeakPolarHBondContact CB-OD1 3.47Å; Y620-N638 HydrophobicContact CD1-CB 3.65Å; Y620-N638 HydrophobicContact CE1-CB 4.39Å; Y620-N638 HydrophobicContact CG-CB 4.2Å
639	G	96.3	Very high	89.7	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-26.5	-177.7	0	0	0	0	0	114.5	L621 T690	L621-G639 PolarHBondContact O-N 2.86Å; G639-T690 WeakPolarHBondContact O-CB 3.01Å; G639-T690 PolarHBondContact O-OG1 3.34Å
640	I	98.4	Very high	89.8	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	141.4	170.4	-57.7	156.4	0	0	0	107.3	V549 V551 L557 Y620 L621 V623 L642 V688 R689	V549-I640 HydrophobicContact CG2-CD1 4.18Å; V551-I640 HydrophobicContact CG2-CD1 4Å; V551-I640 HydrophobicContact CG2-CG1 3.88Å; L557-I640 HydrophobicContact CD1-CG1 4.46Å; Y620-I640 CarbonylContact C-O 3.59Å; Y620-I640 WeakPolarHBondContact CA-O 3.43Å; L621-I640 HydrophobicContact CB-CB 4.12Å; L621-I640 HydrophobicContact CB-CD1 4.5Å; L621-I640 HydrophobicContact CD1-CB 4.5Å; L621-I640 HydrophobicContact CD1-CD1 4.37Å; L621-I640 HydrophobicContact CD1-CG2 4.42Å; L621-I640 PolarHBondContact N-O 3.29Å; L621-I640 PolarHBondContact O-N 2.99Å; V623-I640 HydrophobicContact CG2-CD1 3.89Å; V623-I640 HydrophobicContact CG2-CG1 3.76Å; I640-L642 HydrophobicContact CG2-CD2 4.07Å; I640-V688 HydrophobicContact CG2-CG1 3.76Å; I640-R689 CarbonylContact C-O 3.56Å; I640-R689 VanDerWaalsContact CA-O 3.29Å; I640-R689 WeakPolarHBondContact CA-O 3.32Å
641	C	97.8	Very high	90.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	142.9	166.8	75.8	0	0	0	0	111.1	L608 C614 A618 I619 Y620 R689	L608-C641 HydrophobicContact CD1-CB 3.88Å; C614-C641 HydrophobicContact CB-CB 3.67Å; C614-C641 WeakPolarHBondContact CB-SG 3.47Å; C614-C641 WeakPolarHBondContact SG-CB 3.37Å; C614-C641 CovalentContact SG-SG 2.01Å; C614-C641 PolarHBondContact SG-SG 2.78Å; A618-C641 HydrophobicContact CB-CB 4.28Å; I619-C641 CarbonylContact O-C 3.52Å; I619-C641 WeakPolarHBondContact O-CA 3.35Å; Y620-C641 HydrophobicContact CD1-CB 3.7Å; Y620-C641 HydrophobicContact CE1-CB 3.63Å; C641-R689 PolarHBondContact N-O 3.48Å; C641-R689 PolarHBondContact O-N 2.68Å
642	L	97.7	Very high	90.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124	177.6	-48.4	173.8	0	0	0	108.6	I533 V535 I540 A618 I619 L621 I640 L686 I687 V688	I533-L642 HydrophobicContact CG2-CD1 4.23Å; V535-L642 HydrophobicContact CG2-CD1 3.83Å; I540-L642 HydrophobicContact CD1-CD1 3.65Å; I540-L642 HydrophobicContact CG1-CD1 4.35Å; I540-L642 HydrophobicContact CG2-CD1 4.41Å; A618-L642 WeakPolarHBondContact CA-O 3.36Å; I619-L642 HydrophobicContact CB-CB 4.21Å; I619-L642 HydrophobicContact CB-CD1 4.46Å; I619-L642 HydrophobicContact CG2-CD1 4.32Å; I619-L642 PolarHBondContact N-O 3.46Å; I619-L642 PolarHBondContact O-N 2.93Å; L621-L642 HydrophobicContact CD1-CD1 4.07Å; L621-L642 HydrophobicContact CD1-CG 4.42Å; L621-L642 HydrophobicContact CD2-CD1 4.4Å; L621-L642 HydrophobicContact CG-CD1 4.25Å; L621-L642 HydrophobicContact CG-CG 4.48Å; I640-L642 HydrophobicContact CG2-CD2 4.07Å; L642-L686 HydrophobicContact CB-CD1 4.21Å; L642-I687 WeakPolarHBondContact CA-O 3.49Å; L642-V688 HydrophobicContact CD2-CB 4.13Å; L642-V688 HydrophobicContact CD2-CG1 3.87Å; L642-V688 HydrophobicContact CD2-CG2 3.71Å
643	F	95.3	Very high	90.5	Very high	12 Å²	12	44.7 Å²	44.7	5%	0.053	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	153.9	177.9	60.2	-83.3	0	0	0	112.3	C614 P615 A618 W645 I687 R689	C614-F643 HydrophobicContact CB-CD1 4.26Å; C614-F643 HydrophobicContact CB-CE1 4.24Å; P615-F643 HydrophobicContact CG-CB 4.02Å; P615-F643 HydrophobicContact CG-CD2 3.65Å; P615-F643 HydrophobicContact CG-CE2 4.21Å; P615-F643 HydrophobicContact CG-CG 3.83Å; A618-F643 HydrophobicContact CB-CB 3.94Å; A618-F643 HydrophobicContact CB-CD1 4.45Å; F643-W645 HydrophobicContact CD2-CB 4.1Å; F643-W645 HydrophobicContact CD2-CE3 4.08Å; F643-W645 HydrophobicContact CE2-CB 3.98Å; F643-W645 HydrophobicContact CE2-CD2 4.22Å; F643-W645 AromaticContact CE2-CE3 3.96Å; F643-W645 HydrophobicContact CE2-CE3 3.96Å; F643-W645 HydrophobicContact CE2-CG 4.3Å; F643-I687 HydrophobicContact CD1-CB 4.28Å; F643-I687 HydrophobicContact CD1-CG2 4.48Å; F643-I687 HydrophobicContact CD2-CB 4.25Å; F643-I687 HydrophobicContact CE1-CB 3.88Å; F643-I687 HydrophobicContact CE1-CG2 3.66Å; F643-I687 HydrophobicContact CE2-CB 3.86Å; F643-I687 HydrophobicContact CE2-CD1 4.29Å; F643-I687 HydrophobicContact CE2-CG1 4.02Å; F643-I687 HydrophobicContact CE2-CG2 4.19Å; F643-I687 HydrophobicContact CG-CB 4.46Å; F643-I687 HydrophobicContact CZ-CB 3.66Å; F643-I687 HydrophobicContact CZ-CG1 4.16Å; F643-I687 HydrophobicContact CZ-CG2 3.49Å; F643-I687 VanDerWaalsContact CZ-CG2 3.49Å; F643-I687 PolarHBondContact N-O 2.86Å; F643-I687 VanDerWaalsContact N-O 3.16Å; F643-I687 PolarHBondContact O-N 3.46Å; F643-R689 HydrophobicContact CE1-CB 4.35Å
644	E	92.8	Very high	90.3	Very high	32 Å²	32	46.4 Å²	46.4	15%	0.15	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	138	169.8	-64.5	-165.8	109.3	0	0	110.5	K529 I533 Y542 N684 S685	K529-E644 IonicContact NZ-OE2 2.74Å; K529-E644 PolarHBondContact NZ-OE2 3.3Å; I533-E644 HydrophobicContact CD1-CG 4.26Å; Y542-E644 HydrophobicContact CE2-CG 3.85Å; Y542-E644 WeakPolarHBondContact CE2-OE1 3.46Å; Y542-E644 PolarHBondContact OH-OE1 3.37Å; E644-N684 HydrophobicContact CB-CB 3.96Å; E644-N684 HydrophobicContact CG-CB 4.4Å; E644-N684 PolarHBondContact OE1-ND2 3.07Å; E644-N684 PolarHBondContact OE2-ND2 3.13Å; E644-S685 WeakPolarHBondContact CA-O 3.38Å
645	W	91.4	Very high	90.3	Very high	102 Å²	102	47.1 Å²	47.1	39%	0.386	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	150.7	172.9	-161.1	-96.5	0	0	0	111.8	P615 F643 T647 Y650 S685 I687	P615-W645 HydrophobicContact CG-CE3 4.16Å; P615-W645 HydrophobicContact CG-CZ3 3.97Å; F643-W645 HydrophobicContact CD2-CB 4.1Å; F643-W645 HydrophobicContact CD2-CE3 4.08Å; F643-W645 HydrophobicContact CE2-CB 3.98Å; F643-W645 HydrophobicContact CE2-CD2 4.22Å; F643-W645 AromaticContact CE2-CE3 3.96Å; F643-W645 HydrophobicContact CE2-CE3 3.96Å; F643-W645 HydrophobicContact CE2-CG 4.3Å; W645-T647 HydrophobicContact CB-CG2 4.36Å; W645-T647 HydrophobicContact CG-CG2 4.45Å; W645-T647 PolarHBondContact O-N 3.06Å; W645-Y650 AromaticContact CE2-CE2 3.47Å; W645-Y650 VanDerWaalsContact CE2-CE2 3.47Å; W645-Y650 AromaticContact CZ2-CE2 3.5Å; W645-Y650 HydrophobicContact CZ2-CE2 3.5Å; W645-Y650 AromaticContact CZ2-CZ 3.88Å; W645-Y650 WeakPolarHBondContact CZ2-OH 3.4Å; W645-Y650 AromaticContact NE1-CD2 3.48Å; W645-Y650 AromaticContact NE1-CE2 3.13Å; W645-S685 PolarHBondContact N-O 3Å; W645-S685 PolarHBondContact O-N 2.75Å; W645-I687 HydrophobicContact CB-CD1 3.36Å; W645-I687 HydrophobicContact CB-CG1 4.29Å
646	K	85.7	Confident	90.2	Very high	67 Å²	67	52.4 Å²	52.4	29%	0.291	25%	0.245	S	C	.	.			trans	-85.2	106.5	173.4	-66.8	-175	177.1	-176.8	0	109.3	Y650 N684	K646-Y650 WeakPolarHBondContact O-CD2 3.41Å; K646-N684 WeakPolarHBondContact CG-OD1 3.22Å
647	T	80.8	Confident	90.1	Very high	22 Å²	22	56.1 Å²	56.1	14%	0.135	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	154.2	-177.3	56.4	0	0	0	0	111.6	W645 S685 I687 I704 Y706	W645-T647 HydrophobicContact CB-CG2 4.36Å; W645-T647 HydrophobicContact CG-CG2 4.45Å; W645-T647 PolarHBondContact O-N 3.06Å; T647-S685 WeakPolarHBondContact OG1-CB 3.43Å; T647-S685 PolarHBondContact OG1-OG 3.38Å; T647-I687 HydrophobicContact CG2-CD1 4.27Å; T647-I704 HydrophobicContact CG2-CG2 4.49Å; T647-Y706 WeakPolarHBondContact OG1-CE1 3.46Å; T647-Y706 PolarHBondContact OG1-OH 3.3Å
648	N	82.7	Confident	89.9	Confident	88 Å²	88	55.7 Å²	55.7	47%	0.471	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.4	75.7	166.9	-70.9	-23.3	0	0	0	116.5	Y706 E712	N648-Y706 HydrophobicContact CB-CE1 4.1Å; N648-Y706 PolarHBondContact ND2-OH 2.83Å; N648-E712 PolarHBondContact ND2-OE2 3.02Å
649	P	83.7	Confident	89.6	Confident	73 Å²	73	57.2 Å²	57.2	47%	0.474	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	cis	-86.2	154.3	-0.4	31.2	-31.2	0	0	0	113.6	H651 G652 P653	P649-H651 PolarHBondContact O-N 2.88Å; P649-G652 PolarHBondContact O-N 2.74Å; P649-P653 WeakPolarHBondContact CD-O 3.38Å
650	Y	82.4	Confident	88.9	Confident	142 Å²	142	64.9 Å²	64.9	56%	0.557	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	126.7	179.6	-176.5	-122.9	0	0	0	111.9	W645 K646 G652	W645-Y650 AromaticContact CE2-CE2 3.47Å; W645-Y650 VanDerWaalsContact CE2-CE2 3.47Å; W645-Y650 AromaticContact CZ2-CE2 3.5Å; W645-Y650 HydrophobicContact CZ2-CE2 3.5Å; W645-Y650 AromaticContact CZ2-CZ 3.88Å; W645-Y650 WeakPolarHBondContact CZ2-OH 3.4Å; W645-Y650 AromaticContact NE1-CD2 3.48Å; W645-Y650 AromaticContact NE1-CE2 3.13Å; K646-Y650 WeakPolarHBondContact O-CD2 3.41Å; Y650-G652 PolarHBondContact O-N 2.97Å
651	H	82.4	Confident	87.7	Confident	114 Å²	114	67 Å²	67	53%	0.528	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	10.8	-172.9	-69	-61.9	0	0	0	116.3	P649	P649-H651 PolarHBondContact O-N 2.88Å
652	G	86.7	Confident	86.4	Confident	18 Å²	18	71.9 Å²	71.9	19%	0.186	33%	0.334	C	S	.	.	S	Bend	trans	-98.3	-175.2	-178.7	0	0	0	0	0	113.4	P649 Y650	P649-G652 PolarHBondContact O-N 2.74Å; Y650-G652 PolarHBondContact O-N 2.97Å
653	P	88.5	Confident	84.9	Confident	40 Å²	40	74.6 Å²	74.6	26%	0.26	35%	0.349	S	S	.	.			trans	-79.7	146.6	177.6	30.7	-30.2	0	0	0	111.2	P649 R655 R656 I681	P649-P653 WeakPolarHBondContact CD-O 3.38Å; P653-R655 VanDerWaalsContact C-N 3.34Å; P653-R655 WeakPolarHBondContact CB-O 3.31Å; P653-R656 HydrophobicContact CB-CB 4.27Å; P653-R656 HydrophobicContact CG-CB 4.06Å; P653-R656 HydrophobicContact CG-CG 4.28Å; P653-I681 CarbonylContact C-O 3.59Å; P653-I681 WeakPolarHBondContact CA-O 3.26Å
654	I	87.7	Confident	83.4	Confident	46 Å²	46	78.2 Å²	78.2	24%	0.236	37%	0.368	C	S	.	.	S	Bend	trans	-74.8	-32.3	167.8	-63.8	-173.6	0	0	0	110.1	I681 S707 D967	I654-I681 PolarHBondContact N-O 2.79Å; I654-S707 WeakPolarHBondContact CD1-OG 3.41Å; I654-D967 HydrophobicContact CG2-CB 4.45Å; I654-D967 VanDerWaalsContact CG2-OD2 3.3Å; I654-D967 WeakPolarHBondContact CG2-OD2 3.2Å
655	R	88.6	Confident	81.8	Confident	60 Å²	60	86.9 Å²	86.9	23%	0.226	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	146.3	169.9	61.7	177.1	73.7	-172.9	-4.8	111.2	P653 G680 I681 S965 D967 A968	P653-R655 VanDerWaalsContact C-N 3.34Å; P653-R655 WeakPolarHBondContact CB-O 3.31Å; R655-G680 VanDerWaalsContact O-CA 3.25Å; R655-G680 WeakPolarHBondContact O-CA 3.43Å; R655-I681 VanDerWaalsContact CD-CD1 3.49Å; R655-I681 HydrophobicContact CG-CB 3.76Å; R655-I681 HydrophobicContact CG-CD1 3.96Å; R655-I681 HydrophobicContact CG-CG1 3.69Å; R655-I681 PolarHBondContact N-O 2.68Å; R655-I681 PolarHBondContact O-N 3.03Å; R655-S965 VanDerWaalsContact NH2-CB 3.32Å; R655-S965 PolarHBondContact NH2-O 3.05Å; R655-S965 PolarHBondContact NH2-OG 2.9Å; R655-D967 IonicContact CZ-OD1 3.62Å; R655-D967 IonicContact CZ-OD2 3.01Å; R655-D967 IonicContact NE-OD2 2.67Å; R655-D967 PolarHBondContact NE-OD2 3.37Å; R655-D967 IonicContact NH2-OD1 2.72Å; R655-D967 PolarHBondContact NH2-OD1 3.09Å; R655-D967 IonicContact NH2-OD2 3.64Å; R655-D967 PolarHBondContact NH2-OD2 3.01Å; R655-A968 VanDerWaalsContact CZ-CA 3.47Å; R655-A968 VanDerWaalsContact CZ-N 3.27Å
656	R	91	Very high	80.5	Confident	174 Å²	174	89.8 Å²	89.8	66%	0.657	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.4	150.6	172.6	76.3	-173.2	-85.8	-174.7	-5.3	111.5	P653 H679	P653-R656 HydrophobicContact CB-CB 4.27Å; P653-R656 HydrophobicContact CG-CB 4.06Å; P653-R656 HydrophobicContact CG-CG 4.28Å; R656-H679 CarbonylContact C-O 3.46Å; R656-H679 VanDerWaalsContact CA-O 3.27Å; R656-H679 WeakPolarHBondContact CA-O 3.38Å
657	H	92.6	Very high	79.3	Confident	89 Å²	89	89.3 Å²	89.3	41%	0.412	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	144.6	163.2	-176.6	77.7	0	0	0	108.7	F677 H679	H657-F677 AromaticContact CD2-CE2 3.48Å; H657-F677 VanDerWaalsContact CD2-CE2 3.48Å; H657-F677 WeakPolarHBondContact CD2-CE2 3.43Å; H657-F677 AromaticContact CD2-CZ 3.39Å; H657-F677 WeakPolarHBondContact CD2-CZ 3.38Å; H657-F677 AromaticContact NE2-CZ 3.83Å; H657-H679 PolarHBondContact N-O 2.6Å; H657-H679 PolarHBondContact O-N 2.68Å; H657-H679 VanDerWaalsContact O-O 3.1Å
658	F	90.7	Very high	78.3	Confident	52 Å²	52	93.4 Å²	93.4	23%	0.228	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	116	171.1	179.9	-86.3	0	0	0	107	F660 T675 L979 W982	F658-F660 HydrophobicContact CD1-CD1 4.32Å; F658-F660 HydrophobicContact CD1-CE1 4.3Å; F658-F660 AromaticContact CE1-CD1 3.95Å; F658-F660 HydrophobicContact CE1-CD1 3.95Å; F658-F660 HydrophobicContact CE1-CE1 4.14Å; F658-F660 HydrophobicContact CE1-CG 4.45Å; F658-T675 HydrophobicContact CD2-CG2 4.22Å; F658-T675 HydrophobicContact CE2-CG2 3.31Å; F658-T675 HydrophobicContact CZ-CG2 3.56Å; F658-L979 HydrophobicContact CE2-CD1 4.06Å; F658-L979 HydrophobicContact CZ-CD1 3.9Å; F658-W982 HydrophobicContact CB-CZ2 4.18Å; F658-W982 AromaticContact CD2-CD1 3.86Å; F658-W982 AromaticContact CD2-CD2 3.79Å; F658-W982 HydrophobicContact CD2-CD2 3.79Å; F658-W982 AromaticContact CD2-CE2 3.48Å; F658-W982 VanDerWaalsContact CD2-CE2 3.48Å; F658-W982 HydrophobicContact CD2-CE3 4.44Å; F658-W982 HydrophobicContact CD2-CG 4.03Å; F658-W982 AromaticContact CD2-CZ2 3.9Å; F658-W982 HydrophobicContact CD2-CZ2 3.9Å; F658-W982 AromaticContact CD2-NE1 3.51Å; F658-W982 AromaticContact CE2-CD1 3.59Å; F658-W982 HydrophobicContact CE2-CD2 4.15Å; F658-W982 AromaticContact CE2-CG 3.88Å; F658-W982 HydrophobicContact CE2-CG 3.88Å; F658-W982 AromaticContact CE2-NE1 3.69Å; F658-W982 HydrophobicContact CG-CZ2 4.48Å
659	E	88.6	Confident	76.9	Confident	70 Å²	70	99 Å²	99	33%	0.327	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	120.7	178.3	-164.2	-175.3	167.7	0	0	109.5	N676 F677	E659-N676 HydrophobicContact CB-CB 3.74Å; E659-N676 VanDerWaalsContact CD-ND2 3.31Å; E659-N676 HydrophobicContact CG-CB 3.6Å; E659-N676 PolarHBondContact O-N 3Å; E659-N676 PolarHBondContact OE1-ND2 2.73Å; E659-N676 WeakPolarHBondContact OE2-CB 3.19Å; E659-F677 HydrophobicContact CB-CD1 4.09Å; E659-F677 HydrophobicContact CB-CE1 4.15Å; E659-F677 PolarHBondContact N-O 2.69Å; E659-F677 WeakPolarHBondContact OE2-CD1 3.31Å; E659-F677 WeakPolarHBondContact OE2-CE1 3.3Å
660	F	81.4	Confident	75.7	Confident	161 Å²	161	101.6 Å²	101.6	71%	0.706	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-65.6	144.1	175.8	-63.9	-82.6	0	0	0	110.7	F658 N676	F658-F660 HydrophobicContact CD1-CD1 4.32Å; F658-F660 HydrophobicContact CD1-CE1 4.3Å; F658-F660 AromaticContact CE1-CD1 3.95Å; F658-F660 HydrophobicContact CE1-CD1 3.95Å; F658-F660 HydrophobicContact CE1-CE1 4.14Å; F658-F660 HydrophobicContact CE1-CG 4.45Å; F660-N676 PolarHBondContact O-ND2 3.03Å
661	H	73.5	Confident	74.6	Confident	45 Å²	45	102 Å²	102	21%	0.208	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-68	135.6	-179.3	-174.4	-104.3	0	0	0	111.3	N663 D664	H661-N663 VanDerWaalsContact C-N 3.32Å; H661-N663 PolarHBondContact ND1-N 3.19Å; H661-N663 PolarHBondContact O-N 3.07Å; H661-D664 PolarHBondContact O-N 2.9Å
662	I	69.6	Low	73.6	Confident	103 Å²	103	98.3 Å²	98.3	53%	0.528	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-66.9	-29.2	-171.7	-154.6	161.6	0	0	0	113.6	D664 Y665 F666	I662-D664 VanDerWaalsContact C-N 3.33Å; I662-D664 PolarHBondContact O-N 2.8Å; I662-Y665 VanDerWaalsContact O-CB 3.28Å; I662-Y665 WeakPolarHBondContact O-CB 3.35Å; I662-Y665 PolarHBondContact O-N 2.89Å; I662-F666 HydrophobicContact CG1-CE2 4.49Å; I662-F666 WeakPolarHBondContact O-CD2 3.41Å
663	N	67.4	Low	72.7	Confident	57 Å²	57	104.4 Å²	104.4	31%	0.305	50%	0.501	S	S	.	.	G	3₁₀ helix	trans	-76	-18.8	-179.7	-63.7	7.9	0	0	0	113.5	H661 Y665 F666 G667 E668	H661-N663 VanDerWaalsContact C-N 3.32Å; H661-N663 PolarHBondContact ND1-N 3.19Å; H661-N663 PolarHBondContact O-N 3.07Å; N663-Y665 PolarHBondContact O-N 3.23Å; N663-F666 PolarHBondContact O-N 3.19Å; N663-G667 PolarHBondContact O-N 3.23Å; N663-E668 HydrophobicContact CB-CB 4.42Å; N663-E668 PolarHBondContact ND2-OE2 3.17Å
664	D	63.1	Low	71.7	Confident	87 Å²	87	109.5 Å²	109.5	47%	0.465	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-63	-26.6	172.4	-69.5	-16.7	0	0	0	110.6	H661 I662	H661-D664 PolarHBondContact O-N 2.9Å; I662-D664 VanDerWaalsContact C-N 3.33Å; I662-D664 PolarHBondContact O-N 2.8Å
665	Y	58.4	Low	70.7	Confident	214 Å²	214	107.7 Å²	107.7	84%	0.839	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-72.8	-26.5	175	-123.4	-90.5	0	0	0	113.3	I662 N663	I662-Y665 VanDerWaalsContact O-CB 3.28Å; I662-Y665 WeakPolarHBondContact O-CB 3.35Å; I662-Y665 PolarHBondContact O-N 2.89Å; N663-Y665 PolarHBondContact O-N 3.23Å
666	F	65.9	Low	70.3	Confident	163 Å²	163	107 Å²	107	72%	0.715	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-96.8	3.4	-179.7	-68	-74.9	0	0	0	113.6	I662 N663	I662-F666 HydrophobicContact CG1-CE2 4.49Å; I662-F666 WeakPolarHBondContact O-CD2 3.41Å; N663-F666 PolarHBondContact O-N 3.19Å
667	G	59.1	Low	70.1	Confident	58 Å²	58	101.6 Å²	101.6	60%	0.598	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	16.2	172.7	0	0	0	0	0	115.2	N663 K669	N663-G667 PolarHBondContact O-N 3.23Å; G667-K669 PolarHBondContact O-N 3.33Å
668	E	60.7	Low	70	Confident	108 Å²	108	97.4 Å²	97.4	51%	0.505	47%	0.47	S	S	.	.			trans	-73.4	96.5	171.1	-69.7	-172.4	163.9	0	0	109.7	N663 N670	N663-E668 HydrophobicContact CB-CB 4.42Å; N663-E668 PolarHBondContact ND2-OE2 3.17Å; E668-N670 PolarHBondContact O-N 3.43Å
669	K	52.2	Low	70	Confident	206 Å²	206	97.3 Å²	97.3	90%	0.896	47%	0.47	S	S	*	.			trans	-72.6	52.5	176.4	-67.6	-174.6	176.6	-178.9	0	113.2	G667	G667-K669 PolarHBondContact O-N 3.33Å
670	N	58.9	Low	70.1	Confident	127 Å²	127	94.5 Å²	94.5	68%	0.679	46%	0.46	S	S	*	.	S	Bend	trans	-87.9	140.7	160.7	-71	-27.5	0	0	0	107.7	E668 A672	E668-N670 PolarHBondContact O-N 3.43Å; N670-A672 PolarHBondContact O-N 3.39Å
671	D	59.9	Low	70.4	Confident	150 Å²	150	87 Å²	87	80%	0.802	43%	0.428	S	S	*	.			trans	-47.5	111.7	172.1	-68.3	-35	0	0	0	108.1	K673	D671-K673 VanDerWaalsContact C-N 3.31Å; D671-K673 PolarHBondContact O-N 3.41Å
672	A	61.9	Low	70.9	Confident	36 Å²	36	87.1 Å²	87.1	30%	0.298	43%	0.432	S	S	.	.			trans	-64.4	92.9	-175.7	0	0	0	0	0	108.7	N670 Y674 L979	N670-A672 PolarHBondContact O-N 3.39Å; A672-Y674 PolarHBondContact O-N 2.8Å; A672-L979 WeakPolarHBondContact O-CD2 3.37Å
673	K	66.5	Low	71.7	Confident	147 Å²	147	83.4 Å²	83.4	64%	0.639	42%	0.415	S	S	*	.			trans	-74.8	-11.2	179.1	-74	-178.5	-178.3	178.4	0	112.6	D671	D671-K673 VanDerWaalsContact C-N 3.31Å; D671-K673 PolarHBondContact O-N 3.41Å
674	Y	67.4	Low	72.7	Confident	147 Å²	147	82.2 Å²	82.2	58%	0.576	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	146.9	-167.9	-55.5	-76.2	0	0	0	111.3	A672	A672-Y674 PolarHBondContact O-N 2.8Å
675	T	67.8	Low	74.2	Confident	7 Å²	7	78.1 Å²	78.1	4%	0.043	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	162.6	157.4	62.7	0	0	0	0	107.5	F658 F677 T976 E977 L979	F658-T675 HydrophobicContact CD2-CG2 4.22Å; F658-T675 HydrophobicContact CE2-CG2 3.31Å; F658-T675 HydrophobicContact CZ-CG2 3.56Å; T675-F677 WeakPolarHBondContact OG1-CA 3.33Å; T675-T976 PolarHBondContact OG1-O 3.37Å; T675-E977 PolarHBondContact N-O 3.07Å; T675-E977 VanDerWaalsContact OG1-C 3.28Å; T675-E977 WeakPolarHBondContact OG1-CA 3.36Å; T675-E977 PolarHBondContact OG1-O 2.6Å; T675-L979 HydrophobicContact CG2-CB 4.03Å; T675-L979 HydrophobicContact CG2-CD1 3.88Å
676	N	79.4	Confident	76	Confident	45 Å²	45	67.9 Å²	67.9	24%	0.241	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	-52.1	163.3	-84	4	0	0	0	108.3	E659 F660	E659-N676 HydrophobicContact CB-CB 3.74Å; E659-N676 VanDerWaalsContact CD-ND2 3.31Å; E659-N676 HydrophobicContact CG-CB 3.6Å; E659-N676 PolarHBondContact O-N 3Å; E659-N676 PolarHBondContact OE1-ND2 2.73Å; E659-N676 WeakPolarHBondContact OE2-CB 3.19Å; F660-N676 PolarHBondContact O-ND2 3.03Å
677	F	87.6	Confident	77.5	Confident	62 Å²	62	60.3 Å²	60.3	27%	0.272	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	156	154.8	69	-82	0	0	0	110.8	H657 E659 T675 H679 Y975 T976	H657-F677 AromaticContact CD2-CE2 3.48Å; H657-F677 VanDerWaalsContact CD2-CE2 3.48Å; H657-F677 WeakPolarHBondContact CD2-CE2 3.43Å; H657-F677 AromaticContact CD2-CZ 3.39Å; H657-F677 WeakPolarHBondContact CD2-CZ 3.38Å; H657-F677 AromaticContact NE2-CZ 3.83Å; E659-F677 HydrophobicContact CB-CD1 4.09Å; E659-F677 HydrophobicContact CB-CE1 4.15Å; E659-F677 PolarHBondContact N-O 2.69Å; E659-F677 WeakPolarHBondContact OE2-CD1 3.31Å; E659-F677 WeakPolarHBondContact OE2-CE1 3.3Å; T675-F677 WeakPolarHBondContact OG1-CA 3.33Å; F677-H679 HydrophobicContact CD2-CB 4.15Å; F677-H679 HydrophobicContact CE2-CB 4.16Å; F677-Y975 HydrophobicContact CB-CE2 3.62Å; F677-Y975 HydrophobicContact CD2-CD2 4.27Å; F677-Y975 AromaticContact CD2-CE2 3.78Å; F677-Y975 HydrophobicContact CD2-CE2 3.78Å; F677-Y975 AromaticContact CG-CE2 3.92Å; F677-Y975 HydrophobicContact CG-CE2 3.92Å; F677-T976 CarbonylContact C-O 3.55Å; F677-T976 WeakPolarHBondContact CA-O 3.19Å
678	G	89.2	Confident	79.4	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.4	166.6	0	0	0	0	0	109.8	Y975 T976	G678-Y975 WeakPolarHBondContact O-CA 3.36Å; G678-T976 PolarHBondContact N-O 2.72Å; G678-T976 PolarHBondContact O-N 3.18Å
679	H	91.2	Very high	81.2	Confident	50 Å²	50	54.8 Å²	54.8	23%	0.231	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	139.8	179	177.4	-104	0	0	0	111.2	R656 H657 F677 F974 Y975	R656-H679 CarbonylContact C-O 3.46Å; R656-H679 VanDerWaalsContact CA-O 3.27Å; R656-H679 WeakPolarHBondContact CA-O 3.38Å; H657-H679 PolarHBondContact N-O 2.6Å; H657-H679 PolarHBondContact O-N 2.68Å; H657-H679 VanDerWaalsContact O-O 3.1Å; F677-H679 HydrophobicContact CD2-CB 4.15Å; F677-H679 HydrophobicContact CE2-CB 4.16Å; H679-F974 CarbonylContact C-O 3.5Å; H679-F974 VanDerWaalsContact CA-O 3.27Å; H679-F974 WeakPolarHBondContact CA-O 3.29Å; H679-F974 PolarHBondContact CD2-O 3.41Å; H679-Y975 HydrophobicContact CB-CD2 4.48Å
680	G	90.1	Very high	83.4	Confident	12 Å²	12	45 Å²	45	12%	0.124	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	159.3	176.8	0	0	0	0	0	114.5	R655 F974	R655-G680 VanDerWaalsContact O-CA 3.25Å; R655-G680 WeakPolarHBondContact O-CA 3.43Å; G680-F974 PolarHBondContact N-O 3.22Å; G680-F974 PolarHBondContact O-N 3.27Å
681	I	88.3	Confident	85.3	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.015	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	132.4	174.7	-49.5	-177.1	0	0	0	108.4	P653 I654 R655 D967 N972 R973	P653-I681 CarbonylContact C-O 3.59Å; P653-I681 WeakPolarHBondContact CA-O 3.26Å; I654-I681 PolarHBondContact N-O 2.79Å; R655-I681 VanDerWaalsContact CD-CD1 3.49Å; R655-I681 HydrophobicContact CG-CB 3.76Å; R655-I681 HydrophobicContact CG-CD1 3.96Å; R655-I681 HydrophobicContact CG-CG1 3.69Å; R655-I681 PolarHBondContact N-O 2.68Å; R655-I681 PolarHBondContact O-N 3.03Å; I681-D967 WeakPolarHBondContact CD1-O 3.49Å; I681-N972 VanDerWaalsContact CG2-OD1 3.24Å; I681-N972 WeakPolarHBondContact CG2-OD1 3.28Å; I681-R973 HydrophobicContact CD1-CG 3.48Å; I681-R973 VanDerWaalsContact CD1-CG 3.48Å; I681-R973 HydrophobicContact CG1-CB 4.47Å; I681-R973 HydrophobicContact CG1-CG 3.79Å
682	T	84.5	Confident	87.1	Confident	48 Å²	48	32.2 Å²	32.2	29%	0.294	16%	0.158	S	C	.	.			trans	-102.3	146.4	163.2	63.5	0	0	0	0	108	N972	T682-N972 PolarHBondContact O-ND2 3.38Å; T682-N972 PolarHBondContact O-OD1 3.32Å
683	S	85.9	Confident	88.8	Confident	24 Å²	24	32.5 Å²	32.5	17%	0.168	16%	0.157	C	C	.	.			trans	-145.2	168.9	164.7	-156.9	0	0	0	0	110.2	S707	S683-S707 VanDerWaalsContact CB-OG 3.29Å; S683-S707 WeakPolarHBondContact CB-OG 3.49Å; S683-S707 PolarHBondContact OG-OG 2.94Å
684	N	88.7	Confident	90	Very high	33 Å²	33	25.7 Å²	25.7	18%	0.176	13%	0.127	C	C	.	.			trans	-94.4	155.1	168.5	-57.3	-33.5	0	0	0	109	Y542 E644 K646	Y542-N684 WeakPolarHBondContact OH-CB 3.4Å; Y542-N684 PolarHBondContact OH-O 2.96Å; E644-N684 HydrophobicContact CB-CB 3.96Å; E644-N684 HydrophobicContact CG-CB 4.4Å; E644-N684 PolarHBondContact OE1-ND2 3.07Å; E644-N684 PolarHBondContact OE2-ND2 3.13Å; K646-N684 WeakPolarHBondContact CG-OD1 3.22Å
685	S	93.7	Very high	91	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	151.9	164.4	-55.1	0	0	0	0	107.9	E644 W645 T647 I687 F705 Y706	E644-S685 WeakPolarHBondContact CA-O 3.38Å; W645-S685 PolarHBondContact N-O 3Å; W645-S685 PolarHBondContact O-N 2.75Å; T647-S685 WeakPolarHBondContact OG1-CB 3.43Å; T647-S685 PolarHBondContact OG1-OG 3.38Å; S685-I687 VanDerWaalsContact O-CD1 3.24Å; S685-I687 WeakPolarHBondContact O-CD1 3.29Å; S685-F705 VanDerWaalsContact CA-O 3.31Å; S685-F705 WeakPolarHBondContact CA-O 3.4Å; S685-F705 WeakPolarHBondContact CB-O 3.27Å; S685-Y706 WeakPolarHBondContact OG-CD1 3.47Å
686	L	96.9	Very high	92.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	129	167.6	168.2	70.2	0	0	0	109.2	I533 I540 Y542 F547 L642 V688 I704 F705	I533-L686 HydrophobicContact CD1-CD1 3.77Å; I533-L686 HydrophobicContact CG1-CD1 4.1Å; I540-L686 HydrophobicContact CG2-CD2 3.86Å; Y542-L686 HydrophobicContact CD1-CB 3.36Å; Y542-L686 HydrophobicContact CD1-CD2 4.29Å; Y542-L686 HydrophobicContact CD1-CG 4.4Å; Y542-L686 HydrophobicContact CD2-CB 4.29Å; Y542-L686 HydrophobicContact CE1-CB 3.62Å; Y542-L686 HydrophobicContact CG-CB 3.72Å; Y542-L686 HydrophobicContact CG-CD2 4.04Å; Y542-L686 HydrophobicContact CG-CG 4.35Å; F547-L686 HydrophobicContact CE1-CD2 3.91Å; F547-L686 HydrophobicContact CZ-CD2 3.76Å; L642-L686 HydrophobicContact CB-CD1 4.21Å; L686-V688 HydrophobicContact CD2-CG2 4.35Å; L686-V688 HydrophobicContact CG-CG2 4.33Å; L686-I704 WeakPolarHBondContact O-CA 3.42Å; L686-F705 HydrophobicContact CB-CB 4.24Å; L686-F705 HydrophobicContact CD2-CD2 4.22Å; L686-F705 HydrophobicContact CG-CD2 4.41Å; L686-F705 PolarHBondContact N-O 3.23Å; L686-F705 PolarHBondContact O-N 2.7Å
687	I	98	Very high	92.8	Very high	4 Å²	4	22.4 Å²	22.4	2%	0.021	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	126.7	175.3	-64.2	68.6	0	0	0	107.2	L642 F643 W645 T647 S685 R689 D702 I704	L642-I687 WeakPolarHBondContact CA-O 3.49Å; F643-I687 HydrophobicContact CD1-CB 4.28Å; F643-I687 HydrophobicContact CD1-CG2 4.48Å; F643-I687 HydrophobicContact CD2-CB 4.25Å; F643-I687 HydrophobicContact CE1-CB 3.88Å; F643-I687 HydrophobicContact CE1-CG2 3.66Å; F643-I687 HydrophobicContact CE2-CB 3.86Å; F643-I687 HydrophobicContact CE2-CD1 4.29Å; F643-I687 HydrophobicContact CE2-CG1 4.02Å; F643-I687 HydrophobicContact CE2-CG2 4.19Å; F643-I687 HydrophobicContact CG-CB 4.46Å; F643-I687 HydrophobicContact CZ-CB 3.66Å; F643-I687 HydrophobicContact CZ-CG1 4.16Å; F643-I687 HydrophobicContact CZ-CG2 3.49Å; F643-I687 VanDerWaalsContact CZ-CG2 3.49Å; F643-I687 PolarHBondContact N-O 2.86Å; F643-I687 VanDerWaalsContact N-O 3.16Å; F643-I687 PolarHBondContact O-N 3.46Å; W645-I687 HydrophobicContact CB-CD1 3.36Å; W645-I687 HydrophobicContact CB-CG1 4.29Å; T647-I687 HydrophobicContact CG2-CD1 4.27Å; S685-I687 VanDerWaalsContact O-CD1 3.24Å; S685-I687 WeakPolarHBondContact O-CD1 3.29Å; I687-R689 HydrophobicContact CG2-CB 4.31Å; I687-D702 HydrophobicContact CG2-CB 4.45Å; I687-I704 HydrophobicContact CD1-CG2 4.36Å; I687-I704 HydrophobicContact CG1-CG1 4.26Å; I687-I704 HydrophobicContact CG1-CG2 4.26Å
688	V	98.7	Very high	93.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	111.8	169.6	-176.3	0	0	0	0	107.3	F547 V549 L557 I640 L642 L686 D702 I703 F705	F547-V688 HydrophobicContact CE2-CG2 4.1Å; F547-V688 HydrophobicContact CZ-CG2 3.85Å; V549-V688 HydrophobicContact CG2-CG1 3.83Å; L557-V688 HydrophobicContact CD1-CG1 4.07Å; L557-V688 HydrophobicContact CD2-CG1 4.27Å; I640-V688 HydrophobicContact CG2-CG1 3.76Å; L642-V688 HydrophobicContact CD2-CB 4.13Å; L642-V688 HydrophobicContact CD2-CG1 3.87Å; L642-V688 HydrophobicContact CD2-CG2 3.71Å; L686-V688 HydrophobicContact CD2-CG2 4.35Å; L686-V688 HydrophobicContact CG-CG2 4.33Å; V688-D702 WeakPolarHBondContact O-CA 3.36Å; V688-I703 HydrophobicContact CB-CB 4.39Å; V688-I703 PolarHBondContact N-O 3.4Å; V688-I703 PolarHBondContact O-N 2.75Å; V688-F705 HydrophobicContact CG2-CD2 4.11Å; V688-F705 HydrophobicContact CG2-CE2 3.72Å
689	R	98.6	Very high	93.6	Very high	50 Å²	50	21.1 Å²	21.1	19%	0.189	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	140.1	-174.1	174.9	173.3	-67.6	176.1	-4.4	112.1	D613 I640 C641 F643 I687 I691 I700 F701 D702	D613-R689 PolarHBondContact O-NH1 3.05Å; I640-R689 CarbonylContact C-O 3.56Å; I640-R689 VanDerWaalsContact CA-O 3.29Å; I640-R689 WeakPolarHBondContact CA-O 3.32Å; C641-R689 PolarHBondContact N-O 3.48Å; C641-R689 PolarHBondContact O-N 2.68Å; F643-R689 HydrophobicContact CE1-CB 4.35Å; I687-R689 HydrophobicContact CG2-CB 4.31Å; R689-I691 HydrophobicContact CG-CG1 4.45Å; R689-I700 HydrophobicContact CG-CG2 4.11Å; R689-F701 WeakPolarHBondContact CA-O 3.36Å; R689-D702 WeakPolarHBondContact CB-OD1 3.27Å; R689-D702 VanDerWaalsContact CG-OD1 3.32Å; R689-D702 WeakPolarHBondContact CG-OD1 3.11Å; R689-D702 IonicContact CZ-OD1 3.88Å; R689-D702 IonicContact CZ-OD2 3.44Å; R689-D702 IonicContact NE-OD1 2.74Å; R689-D702 PolarHBondContact NE-OD1 3.47Å; R689-D702 IonicContact NE-OD2 3.49Å; R689-D702 IonicContact NH2-OD1 3.31Å; R689-D702 PolarHBondContact NH2-OD1 2.85Å; R689-D702 IonicContact NH2-OD2 2.78Å; R689-D702 PolarHBondContact NH2-OD2 3.14Å
690	T	98.6	Very high	94	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	157.5	159.1	-163.7	0	0	0	0	109.3	L557 T605 G639 F701	L557-T690 HydrophobicContact CB-CG2 3.69Å; L557-T690 HydrophobicContact CD1-CG2 4.47Å; L557-T690 HydrophobicContact CD2-CG2 4.25Å; L557-T690 HydrophobicContact CG-CG2 4.36Å; T605-T690 VanDerWaalsContact CG2-OG1 3.31Å; T605-T690 WeakPolarHBondContact CG2-OG1 3Å; G639-T690 WeakPolarHBondContact O-CB 3.01Å; G639-T690 PolarHBondContact O-OG1 3.34Å; T690-F701 HydrophobicContact CG2-CB 4.04Å; T690-F701 HydrophobicContact CG2-CD2 4.36Å; T690-F701 PolarHBondContact N-O 3.03Å; T690-F701 PolarHBondContact O-N 3.43Å
691	I	98.6	Very high	94.4	Very high	8 Å²	8	19.7 Å²	19.7	4%	0.041	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.9	177.4	-60.3	177.3	0	0	0	108.3	T605 S606 L608 D613 R689 D698 Y699 I700	T605-I691 CarbonylContact C-O 3.58Å; T605-I691 WeakPolarHBondContact CA-O 3.42Å; S606-I691 PolarHBondContact N-O 3.08Å; S606-I691 PolarHBondContact OG-O 3.3Å; L608-I691 HydrophobicContact CD2-CB 3.87Å; L608-I691 HydrophobicContact CD2-CD1 3.69Å; L608-I691 HydrophobicContact CD2-CG1 3.58Å; D613-I691 HydrophobicContact CB-CD1 3.85Å; R689-I691 HydrophobicContact CG-CG1 4.45Å; I691-D698 HydrophobicContact CG2-CB 4.26Å; I691-Y699 WeakPolarHBondContact CA-O 3.49Å; I691-I700 HydrophobicContact CD1-CG1 4.1Å; I691-I700 HydrophobicContact CG1-CB 4.41Å; I691-I700 HydrophobicContact CG1-CG1 4.1Å; I691-I700 HydrophobicContact CG1-CG2 4.33Å
692	S	97.9	Very high	94.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	120.2	172	-63.6	0	0	0	0	109.9	I601 M604 D698 Y699	I601-S692 VanDerWaalsContact O-CB 3.29Å; I601-S692 WeakPolarHBondContact O-CB 3.23Å; I601-S692 PolarHBondContact O-OG 3.06Å; M604-S692 CarbonylContact O-C 3.54Å; M604-S692 WeakPolarHBondContact O-CA 3.07Å; S692-D698 WeakPolarHBondContact O-CA 3.38Å; S692-Y699 PolarHBondContact N-O 2.87Å; S692-Y699 PolarHBondContact O-N 3.06Å
693	T	96.6	Very high	95.5	Very high	42 Å²	42	18.1 Å²	18.1	26%	0.258	9%	0.09	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	90.7	177.3	-56.3	0	0	0	0	109.5	M604 S606 F695 Y697 D698	M604-T693 WeakPolarHBondContact CE-O 3.1Å; M604-T693 PolarHBondContact O-N 3.15Å; S606-T693 VanDerWaalsContact CB-OG1 3.28Å; S606-T693 WeakPolarHBondContact CB-OG1 3.31Å; S606-T693 PolarHBondContact OG-OG1 3.28Å; T693-F695 PolarHBondContact O-N 3.23Å; T693-Y697 CarbonylContact C-O 3.55Å; T693-Y697 WeakPolarHBondContact CA-O 3.29Å; T693-D698 VanDerWaalsContact CB-OD1 3.27Å; T693-D698 WeakPolarHBondContact CB-OD1 3.42Å; T693-D698 WeakPolarHBondContact CG2-OD1 3.38Å; T693-D698 PolarHBondContact OG1-OD1 3.45Å
694	L	92.1	Very high	96.1	Very high	5 Å²	5	17.6 Å²	17.6	3%	0.026	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	81.8	-178.4	-78.4	141	0	0	0	110.4	E596 F599 I601 M604 N696 Y697 Y699	E596-L694 HydrophobicContact CB-CD2 4.06Å; E596-L694 WeakPolarHBondContact OE2-CD1 3.37Å; F599-L694 HydrophobicContact CB-CD2 4.4Å; I601-L694 HydrophobicContact CG2-CD1 4.25Å; M604-L694 HydrophobicContact CB-CD2 4.07Å; M604-L694 HydrophobicContact CB-CG 4.02Å; M604-L694 HydrophobicContact CG-CD2 3.74Å; M604-L694 HydrophobicContact CG-CG 4.21Å; L694-N696 VanDerWaalsContact C-N 3.31Å; L694-N696 PolarHBondContact O-N 3.41Å; L694-Y697 PolarHBondContact N-O 3.3Å; L694-Y697 PolarHBondContact O-N 2.95Å; L694-Y699 HydrophobicContact CD1-CD2 3.6Å; L694-Y699 HydrophobicContact CD1-CE2 3.69Å
695	F	88.9	Confident	96.6	Very high	109 Å²	109	16 Å²	16	48%	0.478	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	-82.7	-176.1	-52.3	-78.6	0	0	0	112.9	F599 T693	F599-F695 HydrophobicContact CB-CE2 4.46Å; F599-F695 AromaticContact CD1-CE2 3.94Å; F599-F695 HydrophobicContact CD1-CE2 3.94Å; F599-F695 AromaticContact CD1-CZ 3.84Å; F599-F695 HydrophobicContact CD1-CZ 3.84Å; F599-F695 AromaticContact CD2-CE2 3.71Å; F599-F695 HydrophobicContact CD2-CE2 3.71Å; F599-F695 HydrophobicContact CD2-CZ 4.43Å; F599-F695 HydrophobicContact CE1-CE2 4.03Å; F599-F695 AromaticContact CE1-CZ 3.99Å; F599-F695 HydrophobicContact CE1-CZ 3.99Å; F599-F695 AromaticContact CE2-CE2 3.75Å; F599-F695 HydrophobicContact CE2-CE2 3.75Å; F599-F695 AromaticContact CG-CE2 3.77Å; F599-F695 HydrophobicContact CG-CE2 3.77Å; F599-F695 HydrophobicContact CG-CZ 4.07Å; F599-F695 AromaticContact CZ-CE2 3.92Å; F599-F695 HydrophobicContact CZ-CE2 3.92Å; F599-F695 HydrophobicContact CZ-CZ 4.31Å; T693-F695 PolarHBondContact O-N 3.23Å
696	N	90.9	Very high	96.6	Very high	16 Å²	16	16.8 Å²	16.8	9%	0.086	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-28.7	-178.2	60.8	-59.8	0	0	0	114	I441 L694 G719 Y720	I441-N696 HydrophobicContact CB-CB 4.27Å; I441-N696 HydrophobicContact CD1-CB 3.52Å; I441-N696 HydrophobicContact CG1-CB 4.38Å; I441-N696 HydrophobicContact CG2-CB 3.7Å; L694-N696 VanDerWaalsContact C-N 3.31Å; L694-N696 PolarHBondContact O-N 3.41Å; N696-G719 CarbonylContact O-C 3.3Å; N696-G719 WeakPolarHBondContact O-CA 3.44Å; N696-Y720 VanDerWaalsContact CB-O 3.31Å; N696-Y720 WeakPolarHBondContact CB-O 3.35Å; N696-Y720 PolarHBondContact ND2-O 2.69Å; N696-Y720 PolarHBondContact O-N 2.94Å
697	Y	93.9	Very high	96.4	Very high	4 Å²	4	17 Å²	17	2%	0.016	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	147.7	178	-92.5	-92.8	0	0	0	111.2	T693 L694 Y699 P717 T718 H750 H752 H935	T693-Y697 CarbonylContact C-O 3.55Å; T693-Y697 WeakPolarHBondContact CA-O 3.29Å; L694-Y697 PolarHBondContact N-O 3.3Å; L694-Y697 PolarHBondContact O-N 2.95Å; Y697-Y699 HydrophobicContact CD1-CD1 4.42Å; Y697-Y699 AromaticContact CD1-CE1 3.71Å; Y697-Y699 HydrophobicContact CD1-CE1 3.71Å; Y697-Y699 AromaticContact CG-CE1 3.92Å; Y697-Y699 HydrophobicContact CG-CE1 3.92Å; Y697-P717 HydrophobicContact CD1-CB 4.4Å; Y697-P717 HydrophobicContact CE1-CB 4.4Å; Y697-T718 CarbonylContact C-O 3.55Å; Y697-T718 WeakPolarHBondContact CA-O 3.45Å; Y697-T718 WeakPolarHBondContact CD1-O 3.42Å; Y697-H750 AromaticContact CZ-NE2 3.77Å; Y697-H750 PolarHBondContact OH-NE2 3.06Å; Y697-H752 AromaticContact CE1-NE2 3.7Å; Y697-H752 AromaticContact CZ-CE1 3.97Å; Y697-H752 AromaticContact CZ-NE2 3.52Å; Y697-H935 PolarHBondContact OH-CE1 3.05Å; Y697-H935 PolarHBondContact OH-ND1 3.44Å; Y697-H935 VanDerWaalsContact OH-ND1 3.13Å
698	D	96.5	Very high	96.1	Very high	33 Å²	33	17.9 Å²	17.9	18%	0.176	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	119.8	169.6	-65.2	-76.6	0	0	0	107.7	I691 S692 T693 T718	I691-D698 HydrophobicContact CG2-CB 4.26Å; S692-D698 WeakPolarHBondContact O-CA 3.38Å; T693-D698 VanDerWaalsContact CB-OD1 3.27Å; T693-D698 WeakPolarHBondContact CB-OD1 3.42Å; T693-D698 WeakPolarHBondContact CG2-OD1 3.38Å; T693-D698 PolarHBondContact OG1-OD1 3.45Å; D698-T718 CarbonylContact C-O 3.5Å; D698-T718 HydrophobicContact CB-CG2 3.69Å; D698-T718 PolarHBondContact N-O 2.84Å; D698-T718 CarbonylContact O-C 3.54Å; D698-T718 WeakPolarHBondContact O-CG2 2.97Å; D698-T718 PolarHBondContact O-N 2.8Å
699	Y	97.7	Very high	95.9	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.008	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	114.9	176.1	-60.3	-28.4	0	0	0	109.9	T578 T580 E596 I691 S692 L694 Y697 F701 P717 H752 F754	T578-Y699 HydrophobicContact CG2-CE2 4.18Å; T580-Y699 PolarHBondContact OG1-OH 2.98Å; E596-Y699 PolarHBondContact OE1-OH 3.48Å; E596-Y699 WeakPolarHBondContact OE2-CE2 3.37Å; I691-Y699 WeakPolarHBondContact CA-O 3.49Å; S692-Y699 PolarHBondContact N-O 2.87Å; S692-Y699 PolarHBondContact O-N 3.06Å; L694-Y699 HydrophobicContact CD1-CD2 3.6Å; L694-Y699 HydrophobicContact CD1-CE2 3.69Å; Y697-Y699 HydrophobicContact CD1-CD1 4.42Å; Y697-Y699 AromaticContact CD1-CE1 3.71Å; Y697-Y699 HydrophobicContact CD1-CE1 3.71Å; Y697-Y699 AromaticContact CG-CE1 3.92Å; Y697-Y699 HydrophobicContact CG-CE1 3.92Å; Y699-F701 HydrophobicContact CD2-CE2 4.33Å; Y699-F701 AromaticContact CD2-CZ 3.97Å; Y699-F701 HydrophobicContact CD2-CZ 3.97Å; Y699-F701 HydrophobicContact CG-CE2 4.46Å; Y699-F701 HydrophobicContact CG-CZ 4.24Å; Y699-F701 PolarHBondContact O-N 2.93Å; Y699-P717 HydrophobicContact CD1-CB 4.06Å; Y699-P717 HydrophobicContact CE1-CB 4.09Å; Y699-H752 PolarHBondContact OH-CE1 2.92Å; Y699-H752 PolarHBondContact OH-ND1 3.05Å; Y699-F754 HydrophobicContact CD1-CE1 4.28Å; Y699-F754 HydrophobicContact CD1-CZ 4.19Å; Y699-F754 AromaticContact CD2-CE1 3.75Å; Y699-F754 HydrophobicContact CD2-CE1 3.75Å; Y699-F754 HydrophobicContact CD2-CZ 4.41Å; Y699-F754 HydrophobicContact CE1-CE1 4.28Å; Y699-F754 HydrophobicContact CE1-CZ 4Å; Y699-F754 AromaticContact CE2-CE1 3.72Å; Y699-F754 HydrophobicContact CE2-CE1 3.72Å; Y699-F754 HydrophobicContact CE2-CZ 4.21Å; Y699-F754 HydrophobicContact CG-CE1 4.04Å; Y699-F754 HydrophobicContact CG-CZ 4.4Å
700	I	98.4	Very high	95.9	Very high	23 Å²	23	16 Å²	16	12%	0.118	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	107.6	174.1	-52.9	170.9	0	0	0	107.5	R689 I691 V715 T716 T718 T947	R689-I700 HydrophobicContact CG-CG2 4.11Å; I691-I700 HydrophobicContact CD1-CG1 4.1Å; I691-I700 HydrophobicContact CG1-CB 4.41Å; I691-I700 HydrophobicContact CG1-CG1 4.1Å; I691-I700 HydrophobicContact CG1-CG2 4.33Å; I700-V715 WeakPolarHBondContact O-CA 3.38Å; I700-T716 PolarHBondContact N-O 2.95Å; I700-T716 VanDerWaalsContact N-O 3.09Å; I700-T716 PolarHBondContact O-N 3.49Å; I700-T718 HydrophobicContact CD1-CG2 4.39Å; I700-T947 HydrophobicContact CD1-CG2 3.92Å
701	F	98.7	Very high	95.8	Very high	9 Å²	9	16.1 Å²	16.1	4%	0.039	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	114.5	175.9	-65.1	-71.9	0	0	0	109.7	L557 L575 I601 R689 T690 Y699 V715 F754	L557-F701 HydrophobicContact CD2-CB 4.48Å; L575-F701 HydrophobicContact CD1-CE1 4.3Å; L575-F701 HydrophobicContact CD2-CE1 3.72Å; L575-F701 HydrophobicContact CD2-CZ 3.64Å; I601-F701 HydrophobicContact CG2-CE2 3.94Å; I601-F701 HydrophobicContact CG2-CZ 4.09Å; R689-F701 WeakPolarHBondContact CA-O 3.36Å; T690-F701 HydrophobicContact CG2-CB 4.04Å; T690-F701 HydrophobicContact CG2-CD2 4.36Å; T690-F701 PolarHBondContact N-O 3.03Å; T690-F701 PolarHBondContact O-N 3.43Å; Y699-F701 HydrophobicContact CD2-CE2 4.33Å; Y699-F701 AromaticContact CD2-CZ 3.97Å; Y699-F701 HydrophobicContact CD2-CZ 3.97Å; Y699-F701 HydrophobicContact CG-CE2 4.46Å; Y699-F701 HydrophobicContact CG-CZ 4.24Å; Y699-F701 PolarHBondContact O-N 2.93Å; F701-V715 HydrophobicContact CD1-CB 3.98Å; F701-V715 HydrophobicContact CD1-CG2 3.85Å; F701-V715 HydrophobicContact CE1-CB 3.98Å; F701-V715 HydrophobicContact CE1-CG2 3.52Å; F701-V715 HydrophobicContact CZ-CG2 4.24Å; F701-F754 HydrophobicContact CE1-CD1 4.24Å
702	D	98.5	Very high	95.8	Very high	13 Å²	13	16.4 Å²	16.4	7%	0.07	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.4	177.4	-73.3	-26.3	0	0	0	110.3	I687 V688 R689 I704 S714	I687-D702 HydrophobicContact CG2-CB 4.45Å; V688-D702 WeakPolarHBondContact O-CA 3.36Å; R689-D702 WeakPolarHBondContact CB-OD1 3.27Å; R689-D702 VanDerWaalsContact CG-OD1 3.32Å; R689-D702 WeakPolarHBondContact CG-OD1 3.11Å; R689-D702 IonicContact CZ-OD1 3.88Å; R689-D702 IonicContact CZ-OD2 3.44Å; R689-D702 IonicContact NE-OD1 2.74Å; R689-D702 PolarHBondContact NE-OD1 3.47Å; R689-D702 IonicContact NE-OD2 3.49Å; R689-D702 IonicContact NH2-OD1 3.31Å; R689-D702 PolarHBondContact NH2-OD1 2.85Å; R689-D702 IonicContact NH2-OD2 2.78Å; R689-D702 PolarHBondContact NH2-OD2 3.14Å; D702-I704 HydrophobicContact CB-CD1 4.42Å; D702-I704 HydrophobicContact CB-CG1 4.12Å; D702-S714 PolarHBondContact N-O 2.76Å; D702-S714 PolarHBondContact O-N 2.85Å
703	I	98.7	Very high	95.9	Very high	6 Å²	6	16.5 Å²	16.5	3%	0.031	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	117	159.7	-54	174.1	0	0	0	107.3	L557 V559 V688 F705 I711 E712 F713	L557-I703 HydrophobicContact CD2-CD1 3.84Å; L557-I703 HydrophobicContact CD2-CG1 3.8Å; L557-I703 HydrophobicContact CG-CD1 3.86Å; L557-I703 HydrophobicContact CG-CG1 4.38Å; V559-I703 HydrophobicContact CG1-CD1 3.68Å; V559-I703 HydrophobicContact CG2-CD1 4.18Å; V688-I703 HydrophobicContact CB-CB 4.39Å; V688-I703 PolarHBondContact N-O 3.4Å; V688-I703 PolarHBondContact O-N 2.75Å; I703-F705 HydrophobicContact CB-CE2 4.14Å; I703-F705 HydrophobicContact CG2-CD2 4.25Å; I703-F705 HydrophobicContact CG2-CE1 4.3Å; I703-F705 HydrophobicContact CG2-CE2 3.49Å; I703-F705 VanDerWaalsContact CG2-CE2 3.49Å; I703-F705 HydrophobicContact CG2-CZ 3.54Å; I703-I711 HydrophobicContact CG2-CG2 3.92Å; I703-E712 CarbonylContact C-O 3.55Å; I703-E712 WeakPolarHBondContact CA-O 3.41Å; I703-F713 HydrophobicContact CD1-CD1 4.13Å; I703-F713 HydrophobicContact CD1-CE1 4.01Å; I703-F713 HydrophobicContact CG1-CD1 3.9Å; I703-F713 HydrophobicContact CG1-CE1 4.19Å; I703-F713 HydrophobicContact CG2-CD1 4.26Å; I703-F713 HydrophobicContact CG2-CE1 4.07Å
704	I	98.3	Very high	95.9	Very high	13 Å²	13	14.8 Å²	14.8	7%	0.067	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	122.5	-173.4	-48.1	169.8	0	0	0	109	T647 L686 I687 D702 Y706 I711 E712	T647-I704 HydrophobicContact CG2-CG2 4.49Å; L686-I704 WeakPolarHBondContact O-CA 3.42Å; I687-I704 HydrophobicContact CD1-CG2 4.36Å; I687-I704 HydrophobicContact CG1-CG1 4.26Å; I687-I704 HydrophobicContact CG1-CG2 4.26Å; D702-I704 HydrophobicContact CB-CD1 4.42Å; D702-I704 HydrophobicContact CB-CG1 4.12Å; I704-Y706 HydrophobicContact CB-CE2 3.92Å; I704-Y706 HydrophobicContact CG2-CD2 4.13Å; I704-Y706 HydrophobicContact CG2-CE1 4.41Å; I704-Y706 HydrophobicContact CG2-CE2 3.57Å; I704-I711 WeakPolarHBondContact O-CA 3.38Å; I704-E712 HydrophobicContact CB-CB 4.17Å; I704-E712 HydrophobicContact CD1-CG 4.45Å; I704-E712 PolarHBondContact N-O 2.81Å; I704-E712 PolarHBondContact O-N 2.96Å
705	F	97.9	Very high	96.2	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	107.6	-179.1	-64.7	-85.7	0	0	0	109.9	W545 F547 V559 V562 S685 L686 V688 I703 I711	W545-F705 HydrophobicContact CD2-CB 3.92Å; W545-F705 AromaticContact CD2-CD1 3.61Å; W545-F705 HydrophobicContact CD2-CD1 3.61Å; W545-F705 HydrophobicContact CD2-CG 4.18Å; W545-F705 AromaticContact CE3-CD1 3.54Å; W545-F705 HydrophobicContact CE3-CD1 3.54Å; W545-F705 HydrophobicContact CE3-CE1 4.14Å; W545-F705 HydrophobicContact CG-CB 3.94Å; W545-F705 HydrophobicContact CG-CD1 4.16Å; W545-F705 HydrophobicContact CG-CG 4.36Å; W545-F705 HydrophobicContact CH2-CD1 4.32Å; W545-F705 HydrophobicContact CZ2-CB 4.39Å; W545-F705 HydrophobicContact CZ2-CD1 4.35Å; W545-F705 AromaticContact CZ3-CD1 3.91Å; W545-F705 HydrophobicContact CZ3-CD1 3.91Å; W545-F705 HydrophobicContact CZ3-CE1 4.43Å; F547-F705 HydrophobicContact CD1-CD1 4.41Å; F547-F705 AromaticContact CD1-CE1 3.88Å; F547-F705 HydrophobicContact CD1-CE1 3.88Å; F547-F705 HydrophobicContact CD1-CE2 4.26Å; F547-F705 AromaticContact CD1-CZ 3.79Å; F547-F705 HydrophobicContact CD1-CZ 3.79Å; F547-F705 HydrophobicContact CD2-CE2 4.43Å; F547-F705 HydrophobicContact CD2-CZ 4.02Å; F547-F705 HydrophobicContact CE1-CD1 4.18Å; F547-F705 AromaticContact CE1-CD2 3.86Å; F547-F705 HydrophobicContact CE1-CD2 3.86Å; F547-F705 AromaticContact CE1-CE1 3.92Å; F547-F705 HydrophobicContact CE1-CE1 3.92Å; F547-F705 AromaticContact CE1-CE2 3.58Å; F547-F705 HydrophobicContact CE1-CE2 3.58Å; F547-F705 HydrophobicContact CE1-CG 4.14Å; F547-F705 AromaticContact CE1-CZ 3.59Å; F547-F705 HydrophobicContact CE1-CZ 3.59Å; F547-F705 AromaticContact CE2-CE2 3.78Å; F547-F705 HydrophobicContact CE2-CE2 3.78Å; F547-F705 AromaticContact CE2-CZ 3.83Å; F547-F705 HydrophobicContact CE2-CZ 3.83Å; F547-F705 HydrophobicContact CG-CE1 4.34Å; F547-F705 AromaticContact CG-CZ 3.99Å; F547-F705 HydrophobicContact CG-CZ 3.99Å; F547-F705 AromaticContact CZ-CD2 3.83Å; F547-F705 HydrophobicContact CZ-CD2 3.83Å; F547-F705 HydrophobicContact CZ-CE1 4.39Å; F547-F705 AromaticContact CZ-CE2 3.29Å; F547-F705 HydrophobicContact CZ-CE2 3.29Å; F547-F705 AromaticContact CZ-CZ 3.61Å; F547-F705 HydrophobicContact CZ-CZ 3.61Å; V559-F705 HydrophobicContact CG1-CZ 4.3Å; V562-F705 HydrophobicContact CG1-CE1 3.98Å; S685-F705 VanDerWaalsContact CA-O 3.31Å; S685-F705 WeakPolarHBondContact CA-O 3.4Å; S685-F705 WeakPolarHBondContact CB-O 3.27Å; L686-F705 HydrophobicContact CB-CB 4.24Å; L686-F705 HydrophobicContact CD2-CD2 4.22Å; L686-F705 HydrophobicContact CG-CD2 4.41Å; L686-F705 PolarHBondContact N-O 3.23Å; L686-F705 PolarHBondContact O-N 2.7Å; V688-F705 HydrophobicContact CG2-CD2 4.11Å; V688-F705 HydrophobicContact CG2-CE2 3.72Å; I703-F705 HydrophobicContact CB-CE2 4.14Å; I703-F705 HydrophobicContact CG2-CD2 4.25Å; I703-F705 HydrophobicContact CG2-CE1 4.3Å; I703-F705 HydrophobicContact CG2-CE2 3.49Å; I703-F705 VanDerWaalsContact CG2-CE2 3.49Å; I703-F705 HydrophobicContact CG2-CZ 3.54Å; F705-I711 HydrophobicContact CD1-CG1 4.14Å; F705-I711 HydrophobicContact CD1-CG2 4.37Å; F705-I711 HydrophobicContact CE1-CD1 4.31Å; F705-I711 HydrophobicContact CE1-CG1 4.3Å; F705-I711 HydrophobicContact CE1-CG2 4.18Å
706	Y	95.3	Very high	96.6	Very high	15 Å²	15	9.9 Å²	9.9	6%	0.059	5%	0.053	C	C	.	.			trans	-87.4	145.6	-177.3	-67.1	-95.6	0	0	0	111.5	W545 T647 N648 S685 I704 S708 G709 V710 E712 F955	W545-Y706 VanDerWaalsContact CE2-O 3.32Å; W545-Y706 VanDerWaalsContact CZ2-O 3.24Å; W545-Y706 WeakPolarHBondContact CZ2-O 3.09Å; W545-Y706 PolarHBondContact NE1-O 2.99Å; T647-Y706 WeakPolarHBondContact OG1-CE1 3.46Å; T647-Y706 PolarHBondContact OG1-OH 3.3Å; N648-Y706 HydrophobicContact CB-CE1 4.1Å; N648-Y706 PolarHBondContact ND2-OH 2.83Å; S685-Y706 WeakPolarHBondContact OG-CD1 3.47Å; I704-Y706 HydrophobicContact CB-CE2 3.92Å; I704-Y706 HydrophobicContact CG2-CD2 4.13Å; I704-Y706 HydrophobicContact CG2-CE1 4.41Å; I704-Y706 HydrophobicContact CG2-CE2 3.57Å; Y706-S708 PolarHBondContact O-N 3.28Å; Y706-S708 VanDerWaalsContact O-N 3.08Å; Y706-G709 PolarHBondContact O-N 2.74Å; Y706-V710 WeakPolarHBondContact CB-O 3.33Å; Y706-V710 HydrophobicContact CD2-CB 3.94Å; Y706-V710 HydrophobicContact CD2-CG1 3.87Å; Y706-V710 WeakPolarHBondContact CD2-O 3.44Å; Y706-V710 HydrophobicContact CE2-CG1 4.37Å; Y706-V710 HydrophobicContact CG-CB 4.14Å; Y706-V710 HydrophobicContact CG-CG1 4.49Å; Y706-V710 PolarHBondContact N-O 2.83Å; Y706-E712 HydrophobicContact CE2-CB 3.8Å; Y706-E712 WeakPolarHBondContact CE2-OE2 3.27Å; Y706-E712 PolarHBondContact OH-OE2 2.73Å; Y706-F955 HydrophobicContact CE2-CE1 4.42Å
707	S	91.7	Very high	96.9	Very high	5 Å²	5	9.7 Å²	9.7	4%	0.035	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-15.1	174.4	51.8	0	0	0	0	114.6	F564 I654 S683 G709	F564-S707 WeakPolarHBondContact CZ-O 3.49Å; I654-S707 WeakPolarHBondContact CD1-OG 3.41Å; S683-S707 VanDerWaalsContact CB-OG 3.29Å; S683-S707 WeakPolarHBondContact CB-OG 3.49Å; S683-S707 PolarHBondContact OG-OG 2.94Å; S707-G709 VanDerWaalsContact C-N 3.28Å; S707-G709 PolarHBondContact O-N 3.23Å
708	S	92.3	Very high	97	Very high	22 Å²	22	10.5 Å²	10.5	15%	0.154	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-1.1	174.5	58.7	0	0	0	0	114.1	Y706 V710 P966 D967	Y706-S708 PolarHBondContact O-N 3.28Å; Y706-S708 VanDerWaalsContact O-N 3.08Å; S708-V710 WeakPolarHBondContact OG-CG2 3.39Å; S708-P966 WeakPolarHBondContact O-CD 3.31Å; S708-P966 WeakPolarHBondContact O-CG 3.06Å; S708-D967 VanDerWaalsContact CB-OD1 3.25Å; S708-D967 WeakPolarHBondContact CB-OD1 3.12Å
709	G	94.8	Very high	96.9	Very high	1 Å²	1	9 Å²	9	1%	0.01	5%	0.05	C	C	.	.	S	Bend	trans	85.2	7.5	-175.2	0	0	0	0	0	114.2	W545 Y706 S707 P958	W545-G709 WeakPolarHBondContact CH2-O 3.37Å; W545-G709 VanDerWaalsContact CZ2-C 3.49Å; Y706-G709 PolarHBondContact O-N 2.74Å; S707-G709 VanDerWaalsContact C-N 3.28Å; S707-G709 PolarHBondContact O-N 3.23Å; G709-P958 WeakPolarHBondContact O-CD 3.01Å; G709-P958 WeakPolarHBondContact O-CG 2.96Å
710	V	97.1	Very high	96.8	Very high	11 Å²	11	11.6 Å²	11.6	7%	0.067	6%	0.061	C	C	.	.			trans	-81	139.5	173.8	176.8	0	0	0	0	110.2	W545 Y706 S708 F955 I956 M957	W545-V710 WeakPolarHBondContact CZ2-O 3.26Å; Y706-V710 WeakPolarHBondContact CB-O 3.33Å; Y706-V710 HydrophobicContact CD2-CB 3.94Å; Y706-V710 HydrophobicContact CD2-CG1 3.87Å; Y706-V710 WeakPolarHBondContact CD2-O 3.44Å; Y706-V710 HydrophobicContact CE2-CG1 4.37Å; Y706-V710 HydrophobicContact CG-CB 4.14Å; Y706-V710 HydrophobicContact CG-CG1 4.49Å; Y706-V710 PolarHBondContact N-O 2.83Å; S708-V710 WeakPolarHBondContact OG-CG2 3.39Å; V710-F955 HydrophobicContact CG1-CB 4.42Å; V710-F955 HydrophobicContact CG1-CD1 3.83Å; V710-I956 WeakPolarHBondContact CA-O 3.18Å; V710-M957 HydrophobicContact CB-CG 4.44Å; V710-M957 HydrophobicContact CG1-CG 3.82Å; V710-M957 HydrophobicContact CG2-CB 4.03Å; V710-M957 HydrophobicContact CG2-CE 3.97Å; V710-M957 HydrophobicContact CG2-CG 3.87Å
711	I	98.2	Very high	96.6	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.005	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135.4	168	-51.2	170.9	0	0	0	108	W545 V562 L569 I570 I703 I704 F705 F713 F955 I956	W545-I711 HydrophobicContact CH2-CD1 3.88Å; W545-I711 HydrophobicContact CH2-CG1 3.26Å; W545-I711 HydrophobicContact CZ2-CG1 4.14Å; W545-I711 HydrophobicContact CZ3-CD1 3.64Å; W545-I711 HydrophobicContact CZ3-CG1 3.53Å; V562-I711 HydrophobicContact CG1-CD1 3.75Å; L569-I711 HydrophobicContact CD1-CD1 4.43Å; I570-I711 HydrophobicContact CD1-CD1 3.61Å; I570-I711 HydrophobicContact CG1-CD1 4.42Å; I703-I711 HydrophobicContact CG2-CG2 3.92Å; I704-I711 WeakPolarHBondContact O-CA 3.38Å; F705-I711 HydrophobicContact CD1-CG1 4.14Å; F705-I711 HydrophobicContact CD1-CG2 4.37Å; F705-I711 HydrophobicContact CE1-CD1 4.31Å; F705-I711 HydrophobicContact CE1-CG1 4.3Å; F705-I711 HydrophobicContact CE1-CG2 4.18Å; I711-F713 HydrophobicContact CB-CE2 4.46Å; I711-F713 HydrophobicContact CG2-CD2 4.34Å; I711-F713 HydrophobicContact CG2-CE2 3.75Å; I711-F713 HydrophobicContact CG2-CZ 3.87Å; I711-F955 WeakPolarHBondContact O-CA 3.47Å; I711-I956 PolarHBondContact N-O 3.41Å; I711-I956 PolarHBondContact O-N 2.82Å
712	E	98.2	Very high	96.2	Very high	14 Å²	14	10.1 Å²	10.1	7%	0.065	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	124.9	173.6	178.9	-176.7	178.6	0	0	110.2	N648 I703 I704 Y706 S953 I954 F955	N648-E712 PolarHBondContact ND2-OE2 3.02Å; I703-E712 CarbonylContact C-O 3.55Å; I703-E712 WeakPolarHBondContact CA-O 3.41Å; I704-E712 HydrophobicContact CB-CB 4.17Å; I704-E712 HydrophobicContact CD1-CG 4.45Å; I704-E712 PolarHBondContact N-O 2.81Å; I704-E712 PolarHBondContact O-N 2.96Å; Y706-E712 HydrophobicContact CE2-CB 3.8Å; Y706-E712 WeakPolarHBondContact CE2-OE2 3.27Å; Y706-E712 PolarHBondContact OH-OE2 2.73Å; E712-S953 WeakPolarHBondContact OE1-CB 3.48Å; E712-I954 CarbonylContact C-O 3.54Å; E712-I954 VanDerWaalsContact CA-O 3.31Å; E712-I954 WeakPolarHBondContact CA-O 3.37Å; E712-F955 HydrophobicContact CB-CD1 3.92Å; E712-F955 HydrophobicContact CB-CE1 3.89Å; E712-F955 HydrophobicContact CB-CG 4.5Å; E712-F955 HydrophobicContact CB-CZ 4.44Å; E712-F955 HydrophobicContact CG-CD1 4.07Å; E712-F955 HydrophobicContact CG-CD2 4.49Å; E712-F955 HydrophobicContact CG-CE1 3.75Å; E712-F955 HydrophobicContact CG-CE2 4.17Å; E712-F955 HydrophobicContact CG-CG 4.42Å; E712-F955 HydrophobicContact CG-CZ 3.78Å; E712-F955 VanDerWaalsContact OE1-CZ 3.3Å; E712-F955 WeakPolarHBondContact OE1-CZ 3.26Å; E712-F955 WeakPolarHBondContact OE2-CE1 2.93Å; E712-F955 WeakPolarHBondContact OE2-CZ 3.24Å
713	F	98.5	Very high	96	Very high	3 Å²	3	9.5 Å²	9.5	1%	0.013	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	113.3	169	-59.6	-90.1	0	0	0	107.5	V559 I570 A573 I703 I711 F756 I758 S953 I954 I956	V559-F713 HydrophobicContact CG2-CE1 4.25Å; I570-F713 HydrophobicContact CD1-CE2 4.27Å; I570-F713 HydrophobicContact CD1-CZ 4.13Å; A573-F713 HydrophobicContact CB-CE1 3.57Å; A573-F713 HydrophobicContact CB-CE2 4.35Å; A573-F713 HydrophobicContact CB-CZ 3.38Å; I703-F713 HydrophobicContact CD1-CD1 4.13Å; I703-F713 HydrophobicContact CD1-CE1 4.01Å; I703-F713 HydrophobicContact CG1-CD1 3.9Å; I703-F713 HydrophobicContact CG1-CE1 4.19Å; I703-F713 HydrophobicContact CG2-CD1 4.26Å; I703-F713 HydrophobicContact CG2-CE1 4.07Å; I711-F713 HydrophobicContact CB-CE2 4.46Å; I711-F713 HydrophobicContact CG2-CD2 4.34Å; I711-F713 HydrophobicContact CG2-CE2 3.75Å; I711-F713 HydrophobicContact CG2-CZ 3.87Å; F713-F756 HydrophobicContact CB-CD1 4.26Å; F713-F756 HydrophobicContact CB-CE1 4.14Å; F713-I758 HydrophobicContact CD2-CD1 3.89Å; F713-I758 HydrophobicContact CE2-CD1 3.83Å; F713-I758 HydrophobicContact CE2-CG1 4.47Å; F713-S953 CarbonylContact O-C 3.05Å; F713-S953 VanDerWaalsContact O-CA 3.29Å; F713-S953 WeakPolarHBondContact O-CA 3.26Å; F713-I954 HydrophobicContact CB-CB 4.48Å; F713-I954 PolarHBondContact N-O 2.91Å; F713-I954 PolarHBondContact O-N 3.13Å; F713-I956 HydrophobicContact CE2-CG1 4.21Å
714	S	98	Very high	95.7	Very high	6 Å²	6	9.6 Å²	9.6	4%	0.042	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	143	-174	-178.1	0	0	0	0	111.2	D702 L952	D702-S714 PolarHBondContact N-O 2.76Å; D702-S714 PolarHBondContact O-N 2.85Å; S714-L952 CarbonylContact C-O 3.42Å; S714-L952 VanDerWaalsContact CA-O 3.3Å; S714-L952 WeakPolarHBondContact CA-O 3.27Å; S714-L952 PolarHBondContact OG-O 3.02Å
715	V	98.5	Very high	95.4	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	127.1	168.8	58.4	0	0	0	0	108.4	I700 F701 F754 V931 L952	I700-V715 WeakPolarHBondContact O-CA 3.38Å; F701-V715 HydrophobicContact CD1-CB 3.98Å; F701-V715 HydrophobicContact CD1-CG2 3.85Å; F701-V715 HydrophobicContact CE1-CB 3.98Å; F701-V715 HydrophobicContact CE1-CG2 3.52Å; F701-V715 HydrophobicContact CZ-CG2 4.24Å; V715-F754 HydrophobicContact CB-CD1 4.46Å; V715-F754 HydrophobicContact CB-CG 4.45Å; V715-F754 HydrophobicContact CG1-CB 4.14Å; V715-F754 HydrophobicContact CG1-CD1 4.19Å; V715-F754 HydrophobicContact CG1-CD2 3.6Å; V715-F754 HydrophobicContact CG1-CE2 4Å; V715-F754 HydrophobicContact CG1-CG 3.7Å; V715-F754 HydrophobicContact CG1-CZ 4.47Å; V715-F754 HydrophobicContact CG2-CD1 3.87Å; V715-F754 HydrophobicContact CG2-CD2 4.39Å; V715-F754 HydrophobicContact CG2-CE1 3.64Å; V715-F754 HydrophobicContact CG2-CE2 4.19Å; V715-F754 HydrophobicContact CG2-CG 4.24Å; V715-F754 HydrophobicContact CG2-CZ 3.82Å; V715-V931 HydrophobicContact CG1-CG2 4.01Å; V715-L952 HydrophobicContact CG1-CB 3.99Å; V715-L952 HydrophobicContact CG1-CD1 4.45Å; V715-L952 PolarHBondContact N-O 2.59Å; V715-L952 PolarHBondContact O-N 3.2Å
716	T	97.7	Very high	95	Very high	10 Å²	10	10.8 Å²	10.8	6%	0.061	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	103.2	173.6	-54.3	0	0	0	0	108.6	I700 T947 P951	I700-T716 PolarHBondContact N-O 2.95Å; I700-T716 VanDerWaalsContact N-O 3.09Å; I700-T716 PolarHBondContact O-N 3.49Å; T716-T947 HydrophobicContact CG2-CG2 3.93Å; T716-P951 HydrophobicContact CG2-CG 4.01Å; T716-P951 WeakPolarHBondContact OG1-CB 3.35Å
717	P	96.4	Very high	94.6	Very high	13 Å²	13	11.9 Å²	11.9	8%	0.084	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	131.8	173.6	-18.4	32.5	0	0	0	110.8	Y697 Y699 F754	Y697-P717 HydrophobicContact CD1-CB 4.4Å; Y697-P717 HydrophobicContact CE1-CB 4.4Å; Y699-P717 HydrophobicContact CD1-CB 4.06Å; Y699-P717 HydrophobicContact CE1-CB 4.09Å; P717-F754 HydrophobicContact CG-CE2 3.92Å; P717-F754 HydrophobicContact CG-CZ 3.86Å
718	T	96.3	Very high	93.9	Very high	21 Å²	21	14.4 Å²	14.4	13%	0.129	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	176	167.1	-162.4	0	0	0	0	109.1	Y697 D698 I700 N944 T945 T947	Y697-T718 CarbonylContact C-O 3.55Å; Y697-T718 WeakPolarHBondContact CA-O 3.45Å; Y697-T718 WeakPolarHBondContact CD1-O 3.42Å; D698-T718 CarbonylContact C-O 3.5Å; D698-T718 HydrophobicContact CB-CG2 3.69Å; D698-T718 PolarHBondContact N-O 2.84Å; D698-T718 CarbonylContact O-C 3.54Å; D698-T718 WeakPolarHBondContact O-CG2 2.97Å; D698-T718 PolarHBondContact O-N 2.8Å; I700-T718 HydrophobicContact CD1-CG2 4.39Å; T718-N944 PolarHBondContact OG1-OD1 2.8Å; T718-T945 VanDerWaalsContact C-OG1 3.26Å; T718-T945 WeakPolarHBondContact CA-OG1 3.46Å; T718-T945 PolarHBondContact OG1-O 3.09Å; T718-T945 PolarHBondContact OG1-OG1 3.31Å; T718-T947 HydrophobicContact CG2-CG2 4.33Å
719	G	94.9	Very high	92.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	128.2	-174.7	176	0	0	0	0	0	113.6	N696 I721 N944 T945	N696-G719 CarbonylContact O-C 3.3Å; N696-G719 WeakPolarHBondContact O-CA 3.44Å; G719-I721 PolarHBondContact O-N 2.74Å; G719-N944 VanDerWaalsContact CA-CG 3.48Å; G719-N944 WeakPolarHBondContact CA-ND2 3.11Å; G719-N944 WeakPolarHBondContact CA-OD1 3.14Å; G719-N944 PolarHBondContact N-OD1 3.47Å; G719-N944 WeakPolarHBondContact O-CA 3.3Å; G719-N944 VanDerWaalsContact O-CG 3.31Å; G719-N944 PolarHBondContact O-OD1 3.43Å; G719-T945 PolarHBondContact N-OG1 2.89Å; G719-T945 PolarHBondContact O-N 2.93Å; G719-T945 PolarHBondContact O-OG1 3.1Å
720	Y	94.2	Very high	91.8	Very high	57 Å²	57	25.1 Å²	25.1	22%	0.224	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-78.4	117	176.7	-61.9	-78.3	0	0	0	109.6	P439 N696 H722 P943 N944	P439-Y720 HydrophobicContact CB-CD1 3.48Å; P439-Y720 VanDerWaalsContact CB-CD1 3.48Å; P439-Y720 HydrophobicContact CB-CD2 3.99Å; P439-Y720 HydrophobicContact CB-CE1 3.59Å; P439-Y720 HydrophobicContact CB-CE2 4.07Å; P439-Y720 HydrophobicContact CB-CG 3.7Å; P439-Y720 HydrophobicContact CG-CD1 3.33Å; P439-Y720 HydrophobicContact CG-CE1 3.42Å; P439-Y720 VanDerWaalsContact CG-CE1 3.42Å; P439-Y720 HydrophobicContact CG-CG 4.04Å; N696-Y720 VanDerWaalsContact CB-O 3.31Å; N696-Y720 WeakPolarHBondContact CB-O 3.35Å; N696-Y720 PolarHBondContact ND2-O 2.69Å; N696-Y720 PolarHBondContact O-N 2.94Å; Y720-H722 PolarHBondContact O-N 2.79Å; Y720-P943 WeakPolarHBondContact CD1-O 3.47Å; Y720-P943 HydrophobicContact CE1-CB 4.23Å; Y720-N944 HydrophobicContact CD1-CB 4.3Å; Y720-N944 HydrophobicContact CE1-CB 4.15Å
721	I	93.7	Very high	90.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-60.3	143.3	173.8	62.3	171.1	0	0	0	110.7	Q442 G719 V723 M747 P937 D941 L942 T945	Q442-I721 WeakPolarHBondContact CG-O 3.13Å; G719-I721 PolarHBondContact O-N 2.74Å; I721-V723 HydrophobicContact CD1-CG1 4.15Å; I721-V723 HydrophobicContact CG1-CG1 3.92Å; I721-M747 HydrophobicContact CD1-CB 4.23Å; I721-M747 HydrophobicContact CD1-CG 3.83Å; I721-M747 HydrophobicContact CD1-SD 4.03Å; I721-P937 HydrophobicContact CD1-CB 3.78Å; I721-P937 HydrophobicContact CG2-CB 4.49Å; I721-D941 HydrophobicContact CD1-CB 4.28Å; I721-D941 HydrophobicContact CG2-CB 4.04Å; I721-L942 HydrophobicContact CD1-CD2 3.86Å; I721-L942 HydrophobicContact CG1-CD2 4.04Å; I721-T945 HydrophobicContact CG2-CG2 3.42Å; I721-T945 VanDerWaalsContact CG2-CG2 3.42Å
722	H	92	Very high	89.4	Confident	2 Å²	2	36 Å²	36	1%	0.009	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-76.2	131.5	170.5	-160	-77.4	0	0	0	109.1	R432 Y582 F588 M589 Y720	R432-H722 PolarHBondContact NE-CE1 3.34Å; R432-H722 PolarHBondContact NH2-CE1 2.93Å; R432-H722 PolarHBondContact NH2-ND1 2.82Å; R432-H722 PolarHBondContact NH2-NE2 3.23Å; Y582-H722 HydrophobicContact CD1-CB 4.44Å; Y582-H722 HydrophobicContact CE1-CB 3.56Å; F588-H722 AromaticContact CE1-CE1 3.43Å; F588-H722 VanDerWaalsContact CE1-CE1 3.43Å; F588-H722 WeakPolarHBondContact CE1-CE1 3.36Å; F588-H722 AromaticContact CE1-NE2 3.57Å; M589-H722 WeakPolarHBondContact CE-ND1 2.96Å; M589-H722 PolarHBondContact SD-CE1 3.19Å; M589-H722 PolarHBondContact SD-ND1 3.27Å; Y720-H722 PolarHBondContact O-N 2.79Å
723	V	93.8	Very high	88.3	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	157.2	-176.4	-51	0	0	0	0	111	R432 Q442 P444 I721 I745 Y746	R432-V723 PolarHBondContact NH1-O 2.89Å; Q442-V723 HydrophobicContact CB-CG2 4.42Å; Q442-V723 HydrophobicContact CG-CG1 4.22Å; P444-V723 HydrophobicContact CG-CG2 3.81Å; I721-V723 HydrophobicContact CD1-CG1 4.15Å; I721-V723 HydrophobicContact CG1-CG1 3.92Å; V723-I745 HydrophobicContact CB-CG2 3.97Å; V723-I745 HydrophobicContact CG1-CG2 3.75Å; V723-I745 HydrophobicContact CG2-CG1 4.48Å; V723-I745 HydrophobicContact CG2-CG2 4.46Å; V723-Y746 CarbonylContact C-O 3.54Å; V723-Y746 WeakPolarHBondContact CA-O 3.33Å
724	D	92.7	Very high	87.6	Confident	7 Å²	7	45 Å²	45	4%	0.037	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	178.6	168.1	-151.1	-10.3	0	0	0	110.3	S586 M589 Y746 V748	S586-D724 VanDerWaalsContact CB-OD2 3.24Å; S586-D724 WeakPolarHBondContact CB-OD2 3.27Å; S586-D724 PolarHBondContact OG-OD1 3Å; S586-D724 PolarHBondContact OG-OD2 3.19Å; M589-D724 HydrophobicContact CG-CB 4.02Å; M589-D724 VanDerWaalsContact CG-OD2 3.31Å; M589-D724 WeakPolarHBondContact CG-OD2 3.31Å; D724-Y746 HydrophobicContact CB-CD1 4.22Å; D724-Y746 PolarHBondContact N-O 3Å; D724-Y746 PolarHBondContact O-N 2.94Å; D724-V748 HydrophobicContact CB-CG1 4.01Å
725	V	92.3	Very high	87.2	Confident	15 Å²	15	51.3 Å²	51.3	9%	0.091	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	124.5	179.6	-174.3	0	0	0	0	110.8	P444 D446 L727 P744	P444-V725 HydrophobicContact CB-CG2 3.83Å; P444-V725 HydrophobicContact CG-CG2 3.71Å; D446-V725 HydrophobicContact CB-CB 3.97Å; D446-V725 HydrophobicContact CB-CG1 4Å; D446-V725 HydrophobicContact CB-CG2 4.06Å; V725-L727 HydrophobicContact CG1-CD2 3.86Å; V725-L727 HydrophobicContact CG1-CG 4.4Å; V725-P744 CarbonylContact C-O 3.6Å; V725-P744 WeakPolarHBondContact CA-O 3.42Å; V725-P744 HydrophobicContact CG1-CB 3.79Å; V725-P744 HydrophobicContact CG1-CG 4.17Å
726	E	89	Confident	86.8	Confident	24 Å²	24	54 Å²	54	11%	0.112	25%	0.254	C	S	.	.			trans	-95.8	112.1	165.8	-175	51.3	-98.8	0	0	110.1	D728 Y732 P739 P744	E726-D728 PolarHBondContact OE1-N 2.92Å; E726-Y732 WeakPolarHBondContact OE2-CB 3.25Å; E726-P739 HydrophobicContact CG-CB 4.46Å; E726-P744 PolarHBondContact N-O 2.67Å; E726-P744 VanDerWaalsContact O-CB 3.31Å; E726-P744 WeakPolarHBondContact O-CB 3.14Å
727	L	85.7	Confident	86.6	Confident	38 Å²	38	53.6 Å²	53.6	20%	0.199	25%	0.252	C	S	.	.	S	Bend	trans	-84	-29	-178.7	-62.1	171.9	0	0	0	112.3	D446 Q469 V725	D446-L727 HydrophobicContact CB-CD2 4.22Å; Q469-L727 HydrophobicContact CB-CD1 3.86Å; Q469-L727 HydrophobicContact CG-CD2 4.37Å; V725-L727 HydrophobicContact CG1-CD2 3.86Å; V725-L727 HydrophobicContact CG1-CG 4.4Å
728	D	78.3	Confident	86.3	Confident	58 Å²	58	57.4 Å²	57.4	31%	0.31	27%	0.267	S	S	.	.			trans	-128.4	102.6	178.6	-172.4	-8.5	0	0	0	111	E726 F730 Q731	E726-D728 PolarHBondContact OE1-N 2.92Å; D728-F730 PolarHBondContact O-N 2.85Å; D728-F730 VanDerWaalsContact O-N 3.08Å; D728-F730 WeakPolarHBondContact OD1-CB 3Å; D728-F730 PolarHBondContact OD1-N 3.18Å; D728-Q731 HydrophobicContact CB-CB 4.39Å; D728-Q731 PolarHBondContact O-N 2.87Å; D728-Q731 PolarHBondContact OD1-N 3.01Å; D728-Q731 WeakPolarHBondContact OD2-CB 3.5Å
729	P	68.1	Low	86	Confident	58 Å²	58	57.6 Å²	57.6	38%	0.377	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-11.6	179.8	29.6	-34.9	0	0	0	113.3	Y732	P729-Y732 VanDerWaalsContact O-CD1 3.3Å; P729-Y732 WeakPolarHBondContact O-CD1 3.44Å; P729-Y732 WeakPolarHBondContact O-CE1 3.46Å
730	F	73.8	Confident	85.6	Confident	190 Å²	190	58.1 Å²	58.1	83%	0.833	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-16.3	179	-55.7	-73.1	0	0	0	113.4	D728	D728-F730 PolarHBondContact O-N 2.85Å; D728-F730 VanDerWaalsContact O-N 3.08Å; D728-F730 WeakPolarHBondContact OD1-CB 3Å; D728-F730 PolarHBondContact OD1-N 3.18Å
731	Q	73.7	Confident	85.2	Confident	161 Å²	161	61.9 Å²	61.9	75%	0.752	30%	0.302	S	S	*	.	S	Bend	trans	-133.3	66.9	-177.6	-160.3	-177	19.2	0	0	111.9	D728	D728-Q731 HydrophobicContact CB-CB 4.39Å; D728-Q731 PolarHBondContact O-N 2.87Å; D728-Q731 PolarHBondContact OD1-N 3.01Å; D728-Q731 WeakPolarHBondContact OD2-CB 3.5Å
732	Y	72.2	Confident	84.5	Confident	78 Å²	78	64.6 Å²	64.6	31%	0.306	32%	0.316	S	S	.	.			trans	-105.5	155	-178	60	-85.8	0	0	0	113.1	E726 P729 F734 P739	E726-Y732 WeakPolarHBondContact OE2-CB 3.25Å; P729-Y732 VanDerWaalsContact O-CD1 3.3Å; P729-Y732 WeakPolarHBondContact O-CD1 3.44Å; P729-Y732 WeakPolarHBondContact O-CE1 3.46Å; Y732-F734 HydrophobicContact CD2-CD1 4.18Å; Y732-F734 HydrophobicContact CD2-CD2 4.05Å; Y732-F734 HydrophobicContact CD2-CE1 4.05Å; Y732-F734 AromaticContact CD2-CE2 3.85Å; Y732-F734 HydrophobicContact CD2-CE2 3.85Å; Y732-F734 HydrophobicContact CD2-CG 4.22Å; Y732-F734 AromaticContact CD2-CZ 3.88Å; Y732-F734 HydrophobicContact CD2-CZ 3.88Å; Y732-F734 HydrophobicContact CE1-CZ 4.24Å; Y732-F734 AromaticContact CE2-CD1 3.56Å; Y732-F734 HydrophobicContact CE2-CD1 3.56Å; Y732-F734 AromaticContact CE2-CD2 3.93Å; Y732-F734 HydrophobicContact CE2-CD2 3.93Å; Y732-F734 AromaticContact CE2-CE1 3.06Å; Y732-F734 HydrophobicContact CE2-CE1 3.06Å; Y732-F734 AromaticContact CE2-CE2 3.43Å; Y732-F734 HydrophobicContact CE2-CE2 3.43Å; Y732-F734 VanDerWaalsContact CE2-CE2 3.43Å; Y732-F734 AromaticContact CE2-CG 4Å; Y732-F734 HydrophobicContact CE2-CG 4Å; Y732-F734 AromaticContact CE2-CZ 2.99Å; Y732-F734 HydrophobicContact CE2-CZ 2.99Å; Y732-F734 AromaticContact CZ-CE1 3.58Å; Y732-F734 AromaticContact CZ-CE2 3.83Å; Y732-F734 AromaticContact CZ-CZ 3.18Å; Y732-F734 WeakPolarHBondContact OH-CE1 3.19Å; Y732-F734 WeakPolarHBondContact OH-CZ 3.29Å; Y732-P739 HydrophobicContact CD1-CG 4.08Å; Y732-P739 HydrophobicContact CD2-CB 4.47Å; Y732-P739 VanDerWaalsContact CD2-CD 3.46Å; Y732-P739 HydrophobicContact CD2-CG 3.48Å; Y732-P739 VanDerWaalsContact CD2-CG 3.48Å; Y732-P739 HydrophobicContact CE1-CG 4Å; Y732-P739 HydrophobicContact CE2-CG 3.29Å; Y732-P739 HydrophobicContact CG-CG 3.84Å
733	N	74.4	Confident	83.7	Confident	78 Å²	78	67 Å²	67	42%	0.417	33%	0.328	S	S	.	.			trans	-95.4	117.6	177.6	-174.2	-9.7	0	0	0	109.8	K735 Y746	N733-K735 PolarHBondContact O-N 2.93Å; N733-K735 WeakPolarHBondContact OD1-CB 3.46Å; N733-K735 PolarHBondContact OD1-N 3.47Å; N733-Y746 PolarHBondContact O-OH 3.07Å
734	F	82.9	Confident	83.3	Confident	128 Å²	128	67.5 Å²	67.5	56%	0.561	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-78.2	-3.1	178.9	-64.5	-98.3	0	0	0	114.1	Y732 Y736	Y732-F734 HydrophobicContact CD2-CD1 4.18Å; Y732-F734 HydrophobicContact CD2-CD2 4.05Å; Y732-F734 HydrophobicContact CD2-CE1 4.05Å; Y732-F734 AromaticContact CD2-CE2 3.85Å; Y732-F734 HydrophobicContact CD2-CE2 3.85Å; Y732-F734 HydrophobicContact CD2-CG 4.22Å; Y732-F734 AromaticContact CD2-CZ 3.88Å; Y732-F734 HydrophobicContact CD2-CZ 3.88Å; Y732-F734 HydrophobicContact CE1-CZ 4.24Å; Y732-F734 AromaticContact CE2-CD1 3.56Å; Y732-F734 HydrophobicContact CE2-CD1 3.56Å; Y732-F734 AromaticContact CE2-CD2 3.93Å; Y732-F734 HydrophobicContact CE2-CD2 3.93Å; Y732-F734 AromaticContact CE2-CE1 3.06Å; Y732-F734 HydrophobicContact CE2-CE1 3.06Å; Y732-F734 AromaticContact CE2-CE2 3.43Å; Y732-F734 HydrophobicContact CE2-CE2 3.43Å; Y732-F734 VanDerWaalsContact CE2-CE2 3.43Å; Y732-F734 AromaticContact CE2-CG 4Å; Y732-F734 HydrophobicContact CE2-CG 4Å; Y732-F734 AromaticContact CE2-CZ 2.99Å; Y732-F734 HydrophobicContact CE2-CZ 2.99Å; Y732-F734 AromaticContact CZ-CE1 3.58Å; Y732-F734 AromaticContact CZ-CE2 3.83Å; Y732-F734 AromaticContact CZ-CZ 3.18Å; Y732-F734 WeakPolarHBondContact OH-CE1 3.19Å; Y732-F734 WeakPolarHBondContact OH-CZ 3.29Å; F734-Y736 VanDerWaalsContact C-N 3.29Å; F734-Y736 PolarHBondContact O-N 2.97Å
735	K	90.1	Very high	83.2	Confident	140 Å²	140	67.3 Å²	67.3	61%	0.609	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-64.8	-31.1	-171.7	-175.3	177.1	176.7	-167.2	0	113.6	N733	N733-K735 PolarHBondContact O-N 2.93Å; N733-K735 WeakPolarHBondContact OD1-CB 3.46Å; N733-K735 PolarHBondContact OD1-N 3.47Å
736	Y	91.7	Very high	83.3	Confident	56 Å²	56	67 Å²	67	22%	0.22	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-118.7	8.6	-169.8	-57.2	-68.7	0	0	0	113.8	W583 F734 Y746 V748 I749	W583-Y736 HydrophobicContact CB-CD1 3.93Å; F734-Y736 VanDerWaalsContact C-N 3.29Å; F734-Y736 PolarHBondContact O-N 2.97Å; Y736-Y746 PolarHBondContact N-OH 2.98Å; Y736-V748 CarbonylContact O-C 3.56Å; Y736-V748 WeakPolarHBondContact O-CA 3.31Å; Y736-I749 PolarHBondContact O-N 2.89Å
737	G	92.4	Very high	83.5	Confident	2 Å²	2	66 Å²	66	2%	0.021	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	151.8	-167	-172.2	0	0	0	0	0	114	Y746 M747	G737-Y746 PolarHBondContact N-OH 2.63Å; G737-Y746 VanDerWaalsContact N-OH 3.08Å; G737-Y746 PolarHBondContact O-OH 3.28Å; G737-M747 CarbonylContact C-O 3.41Å; G737-M747 WeakPolarHBondContact CA-O 3.3Å
738	F	90.3	Very high	83.9	Confident	93 Å²	93	64.2 Å²	64.2	41%	0.408	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133.7	-176.1	-54.6	-80.8	0	0	0	109.9	M747 L936 P937	F738-M747 HydrophobicContact CB-CE 4.07Å; F738-M747 PolarHBondContact N-O 3.42Å; F738-M747 WeakPolarHBondContact O-CB 3.27Å; F738-M747 PolarHBondContact O-N 2.96Å; F738-L936 HydrophobicContact CE2-CB 4.45Å; F738-P937 WeakPolarHBondContact CD2-O 3.19Å
739	P	88.7	Confident	84.7	Confident	25 Å²	25	63.5 Å²	63.5	16%	0.162	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	145.6	168.9	32.6	-36.2	0	0	0	109.5	E726 Y732 Y746	E726-P739 HydrophobicContact CG-CB 4.46Å; Y732-P739 HydrophobicContact CD1-CG 4.08Å; Y732-P739 HydrophobicContact CD2-CB 4.47Å; Y732-P739 VanDerWaalsContact CD2-CD 3.46Å; Y732-P739 HydrophobicContact CD2-CG 3.48Å; Y732-P739 VanDerWaalsContact CD2-CG 3.48Å; Y732-P739 HydrophobicContact CE1-CG 4Å; Y732-P739 HydrophobicContact CE2-CG 3.29Å; Y732-P739 HydrophobicContact CG-CG 3.84Å; P739-Y746 HydrophobicContact CB-CD2 4.47Å
740	A	88.5	Confident	86	Confident	11 Å²	11	60.8 Å²	60.8	9%	0.091	29%	0.292	C	S	.	.			trans	-81.2	148.1	164.6	0	0	0	0	0	109.7	I742 I745 M747 H939 L942	A740-I742 PolarHBondContact O-N 3.45Å; A740-I745 HydrophobicContact CB-CB 3.72Å; A740-I745 HydrophobicContact CB-CG2 3.74Å; A740-I745 PolarHBondContact N-O 3.43Å; A740-M747 HydrophobicContact CB-CE 4.45Å; A740-H939 VanDerWaalsContact CA-CE1 3.46Å; A740-H939 WeakPolarHBondContact CA-CE1 3.42Å; A740-H939 WeakPolarHBondContact CA-NE2 3.4Å; A740-L942 HydrophobicContact CB-CD1 4.19Å
741	V	84.2	Confident	87.1	Confident	135 Å²	135	51.9 Å²	51.9	82%	0.818	25%	0.253	S	S	*	.	S	Bend	trans	-50.6	-32.1	161.9	178.3	0	0	0	0	112	N743 H939	V741-N743 PolarHBondContact O-N 3.13Å; V741-H939 PolarHBondContact N-CE1 2.75Å; V741-H939 PolarHBondContact N-NE2 3.25Å
742	I	79.4	Confident	88.2	Confident	57 Å²	57	44.2 Å²	44.2	29%	0.292	22%	0.217	S	C	.	.	S	Bend	trans	-81	97.2	173.2	-52.1	175.5	0	0	0	108.5	M498 A740 I745	M498-I742 HydrophobicContact CB-CG2 3.87Å; M498-I742 HydrophobicContact CG-CG2 3.53Å; M498-I742 HydrophobicContact SD-CG2 3.61Å; A740-I742 PolarHBondContact O-N 3.45Å; I742-I745 WeakPolarHBondContact O-CB 3.04Å; I742-I745 PolarHBondContact O-N 3.11Å
743	N	74.4	Confident	89.4	Confident	52 Å²	52	40.6 Å²	40.6	28%	0.278	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	136.8	174.5	-178.1	-38.7	0	0	0	110.4	V741	V741-N743 PolarHBondContact O-N 3.13Å
744	P	86.4	Confident	90.6	Very high	12 Å²	12	36.9 Å²	36.9	8%	0.078	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	cis	-104.7	30.2	10.5	44.4	-43.6	0	0	0	114.1	H493 V725 E726 Y746	H493-P744 WeakPolarHBondContact CE1-CG 3.42Å; H493-P744 VanDerWaalsContact NE2-CB 3.33Å; H493-P744 WeakPolarHBondContact NE2-CB 3.21Å; H493-P744 WeakPolarHBondContact NE2-CD 3.46Å; H493-P744 WeakPolarHBondContact NE2-CG 3.33Å; V725-P744 CarbonylContact C-O 3.6Å; V725-P744 WeakPolarHBondContact CA-O 3.42Å; V725-P744 HydrophobicContact CG1-CB 3.79Å; V725-P744 HydrophobicContact CG1-CG 4.17Å; E726-P744 PolarHBondContact N-O 2.67Å; E726-P744 VanDerWaalsContact O-CB 3.31Å; E726-P744 WeakPolarHBondContact O-CB 3.14Å; P744-Y746 PolarHBondContact O-N 3.46Å
745	I	91.7	Very high	91.3	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	124.3	-173	-68.7	174.4	0	0	0	110.3	M498 V723 A740 I742 M747 L942	M498-I745 HydrophobicContact CE-CD1 3.72Å; M498-I745 HydrophobicContact CE-CG1 4.06Å; M498-I745 HydrophobicContact SD-CD1 3.45Å; M498-I745 WeakPolarHBondContact SD-CD1 3.32Å; M498-I745 HydrophobicContact SD-CG1 3.69Å; V723-I745 HydrophobicContact CB-CG2 3.97Å; V723-I745 HydrophobicContact CG1-CG2 3.75Å; V723-I745 HydrophobicContact CG2-CG1 4.48Å; V723-I745 HydrophobicContact CG2-CG2 4.46Å; A740-I745 HydrophobicContact CB-CB 3.72Å; A740-I745 HydrophobicContact CB-CG2 3.74Å; A740-I745 PolarHBondContact N-O 3.43Å; I742-I745 WeakPolarHBondContact O-CB 3.04Å; I742-I745 PolarHBondContact O-N 3.11Å; I745-M747 HydrophobicContact CG2-CG 3.68Å; I745-L942 HydrophobicContact CD1-CD1 3.92Å; I745-L942 HydrophobicContact CD1-CD2 4.45Å
746	Y	92.7	Very high	91.7	Very high	10 Å²	10	24.5 Å²	24.5	4%	0.039	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	115.6	162.6	-171.5	-91.4	0	0	0	110	V723 D724 N733 Y736 G737 P739 P744 V748	V723-Y746 CarbonylContact C-O 3.54Å; V723-Y746 WeakPolarHBondContact CA-O 3.33Å; D724-Y746 HydrophobicContact CB-CD1 4.22Å; D724-Y746 PolarHBondContact N-O 3Å; D724-Y746 PolarHBondContact O-N 2.94Å; N733-Y746 PolarHBondContact O-OH 3.07Å; Y736-Y746 PolarHBondContact N-OH 2.98Å; G737-Y746 PolarHBondContact N-OH 2.63Å; G737-Y746 VanDerWaalsContact N-OH 3.08Å; G737-Y746 PolarHBondContact O-OH 3.28Å; P739-Y746 HydrophobicContact CB-CD2 4.47Å; P744-Y746 PolarHBondContact O-N 3.46Å; Y746-V748 HydrophobicContact CD1-CG1 3.66Å; Y746-V748 HydrophobicContact CE1-CG1 3.87Å; Y746-V748 PolarHBondContact O-N 3.33Å
747	M	93.6	Very high	92.1	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.01	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	106.9	-176.1	-59.3	179.9	-64.9	0	0	110	I721 G737 F738 A740 I745 P937 R938 L942	I721-M747 HydrophobicContact CD1-CB 4.23Å; I721-M747 HydrophobicContact CD1-CG 3.83Å; I721-M747 HydrophobicContact CD1-SD 4.03Å; G737-M747 CarbonylContact C-O 3.41Å; G737-M747 WeakPolarHBondContact CA-O 3.3Å; F738-M747 HydrophobicContact CB-CE 4.07Å; F738-M747 PolarHBondContact N-O 3.42Å; F738-M747 WeakPolarHBondContact O-CB 3.27Å; F738-M747 PolarHBondContact O-N 2.96Å; A740-M747 HydrophobicContact CB-CE 4.45Å; I745-M747 HydrophobicContact CG2-CG 3.68Å; M747-P937 HydrophobicContact CB-CB 3.98Å; M747-P937 HydrophobicContact CB-CG 4.04Å; M747-R938 VanDerWaalsContact SD-C 3.54Å; M747-R938 VanDerWaalsContact SD-O 3.41Å; M747-L942 HydrophobicContact SD-CD1 4.49Å; M747-L942 HydrophobicContact SD-CG 4.49Å
748	V	94.2	Very high	92.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	142.6	-173.1	-68.1	0	0	0	0	113.7	Y582 W583 M589 D724 Y736 Y746 H750 P937	Y582-V748 HydrophobicContact CD1-CG2 3.75Å; Y582-V748 HydrophobicContact CE1-CG2 4.31Å; W583-V748 VanDerWaalsContact O-CB 3.31Å; W583-V748 WeakPolarHBondContact O-CB 3.23Å; W583-V748 WeakPolarHBondContact O-CG1 3.25Å; M589-V748 HydrophobicContact CE-CB 4.35Å; M589-V748 HydrophobicContact CE-CG1 4.34Å; M589-V748 HydrophobicContact CE-CG2 3.39Å; M589-V748 HydrophobicContact CG-CG1 4.36Å; D724-V748 HydrophobicContact CB-CG1 4.01Å; Y736-V748 CarbonylContact O-C 3.56Å; Y736-V748 WeakPolarHBondContact O-CA 3.31Å; Y746-V748 HydrophobicContact CD1-CG1 3.66Å; Y746-V748 HydrophobicContact CE1-CG1 3.87Å; Y746-V748 PolarHBondContact O-N 3.33Å; V748-H750 PolarHBondContact O-ND1 3.34Å; V748-P937 WeakPolarHBondContact O-CD 3.37Å; V748-P937 WeakPolarHBondContact O-CG 3.45Å
749	I	95.1	Very high	92.7	Very high	44 Å²	44	17.8 Å²	17.8	23%	0.226	10%	0.101	C	C	.	.			trans	-65.3	144.5	169.8	67.7	176.4	0	0	0	110.8	W583 Y736 L936	W583-I749 HydrophobicContact CB-CG1 4.23Å; W583-I749 HydrophobicContact CE3-CG1 4.33Å; W583-I749 PolarHBondContact N-O 2.79Å; Y736-I749 PolarHBondContact O-N 2.89Å; I749-L936 HydrophobicContact CB-CD2 4.37Å; I749-L936 HydrophobicContact CG2-CD2 3.6Å
750	H	95.9	Very high	93.1	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	163	176.5	51.6	-76.8	0	0	0	111.8	S581 Y582 Y697 V748 H752 Y934 H935	S581-H750 CarbonylContact O-C 3.57Å; S581-H750 VanDerWaalsContact O-CA 3.25Å; S581-H750 WeakPolarHBondContact O-CA 3.15Å; S581-H750 VanDerWaalsContact O-CB 3.29Å; S581-H750 WeakPolarHBondContact O-CB 3.49Å; Y582-H750 HydrophobicContact CD1-CB 3.44Å; Y582-H750 VanDerWaalsContact CD1-CB 3.44Å; Y582-H750 AromaticContact CD1-CG 3.83Å; Y582-H750 HydrophobicContact CE1-CB 3.69Å; Y582-H750 AromaticContact CE1-CD2 3.93Å; Y582-H750 AromaticContact CE1-CG 3.57Å; Y582-H750 AromaticContact CE1-ND1 3.8Å; Y582-H750 HydrophobicContact CG-CB 3.95Å; Y697-H750 AromaticContact CZ-NE2 3.77Å; Y697-H750 PolarHBondContact OH-NE2 3.06Å; V748-H750 PolarHBondContact O-ND1 3.34Å; H750-H752 AromaticContact CD2-CD2 3.7Å; H750-H752 AromaticContact CD2-NE2 3.26Å; H750-H752 PolarHBondContact CD2-NE2 2.92Å; H750-H752 VanDerWaalsContact CD2-NE2 3.26Å; H750-H752 AromaticContact NE2-NE2 3.41Å; H750-H752 PolarHBondContact NE2-NE2 3.47Å; H750-Y934 CarbonylContact O-C 3.57Å; H750-H935 AromaticContact CE1-CE1 3.99Å; H750-H935 AromaticContact CE1-CG 3.65Å; H750-H935 AromaticContact CE1-ND1 3.13Å; H750-H935 PolarHBondContact CE1-ND1 2.92Å; H750-H935 PolarHBondContact N-O 2.96Å; H750-H935 AromaticContact NE2-CG 3.6Å; H750-H935 AromaticContact NE2-ND1 2.94Å; H750-H935 PolarHBondContact NE2-ND1 3.31Å; H750-H935 PolarHBondContact O-N 3.36Å
751	H	96.3	Very high	93.3	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.009	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	119.8	-176.2	-175.1	-154	0	0	0	109.3	T580 S581 W583 L753 F867 N933 Y934	T580-H751 WeakPolarHBondContact CA-O 3.47Å; S581-H751 PolarHBondContact N-O 3.09Å; S581-H751 PolarHBondContact O-N 3.33Å; W583-H751 HydrophobicContact CH2-CB 4.07Å; W583-H751 HydrophobicContact CZ3-CB 3.93Å; H751-L753 VanDerWaalsContact CE1-CD2 3.49Å; H751-L753 WeakPolarHBondContact CE1-CD2 3.28Å; H751-L753 VanDerWaalsContact CE1-CG 3.48Å; H751-L753 WeakPolarHBondContact CE1-CG 3.47Å; H751-L753 VanDerWaalsContact NE2-CD2 3.31Å; H751-L753 WeakPolarHBondContact NE2-CD2 3.36Å; H751-F867 HydrophobicContact CB-CZ 4.2Å; H751-F867 AromaticContact ND1-CE2 3.43Å; H751-F867 WeakPolarHBondContact ND1-CE2 3.43Å; H751-F867 AromaticContact ND1-CZ 3.47Å; H751-F867 WeakPolarHBondContact ND1-CZ 3.27Å; H751-N933 PolarHBondContact CD2-O 3.3Å; H751-Y934 HydrophobicContact CB-CD1 3.84Å; H751-Y934 HydrophobicContact CB-CE1 3.78Å; H751-Y934 AromaticContact CD2-CD1 3.81Å; H751-Y934 AromaticContact CD2-CE1 3.68Å; H751-Y934 AromaticContact CD2-CZ 3.91Å; H751-Y934 AromaticContact CE1-CZ 3.82Å; H751-Y934 AromaticContact CG-CD1 3.83Å; H751-Y934 AromaticContact CG-CE1 3.5Å; H751-Y934 VanDerWaalsContact CG-CE1 3.5Å; H751-Y934 AromaticContact ND1-CE1 3.75Å; H751-Y934 AromaticContact ND1-CZ 3.96Å; H751-Y934 AromaticContact NE2-CZ 3.78Å
752	H	96.8	Very high	93.9	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.005	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	135.8	170	-68.4	-79.3	0	0	0	109.9	T580 Y697 Y699 H750 F754 G932 N933	T580-H752 VanDerWaalsContact CG2-CE1 3.46Å; T580-H752 WeakPolarHBondContact CG2-CE1 3.36Å; T580-H752 PolarHBondContact OG1-CE1 3.18Å; T580-H752 PolarHBondContact OG1-ND1 2.93Å; Y697-H752 AromaticContact CE1-NE2 3.7Å; Y697-H752 AromaticContact CZ-CE1 3.97Å; Y697-H752 AromaticContact CZ-NE2 3.52Å; Y699-H752 PolarHBondContact OH-CE1 2.92Å; Y699-H752 PolarHBondContact OH-ND1 3.05Å; H750-H752 AromaticContact CD2-CD2 3.7Å; H750-H752 AromaticContact CD2-NE2 3.26Å; H750-H752 PolarHBondContact CD2-NE2 2.92Å; H750-H752 VanDerWaalsContact CD2-NE2 3.26Å; H750-H752 AromaticContact NE2-NE2 3.41Å; H750-H752 PolarHBondContact NE2-NE2 3.47Å; H752-F754 HydrophobicContact CB-CE2 3.87Å; H752-F754 HydrophobicContact CB-CZ 4.29Å; H752-G932 CarbonylContact O-C 3.46Å; H752-G932 WeakPolarHBondContact O-CA 3.42Å; H752-N933 PolarHBondContact N-O 3.12Å; H752-N933 PolarHBondContact O-N 2.92Å
753	L	98.2	Very high	94.4	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.005	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	132.9	171.3	-66.7	172.5	0	0	0	109.6	T578 V579 H751 V863 W877 S878 T930 V931	T578-L753 CarbonylContact C-O 3.53Å; T578-L753 WeakPolarHBondContact CA-O 3.18Å; T578-L753 WeakPolarHBondContact CB-O 3.35Å; T578-L753 PolarHBondContact OG1-O 2.68Å; V579-L753 HydrophobicContact CG1-CB 3.76Å; V579-L753 HydrophobicContact CG1-CD1 3.75Å; V579-L753 HydrophobicContact CG1-CG 4.21Å; V579-L753 PolarHBondContact N-O 3.24Å; V579-L753 PolarHBondContact O-N 2.6Å; H751-L753 VanDerWaalsContact CE1-CD2 3.49Å; H751-L753 WeakPolarHBondContact CE1-CD2 3.28Å; H751-L753 VanDerWaalsContact CE1-CG 3.48Å; H751-L753 WeakPolarHBondContact CE1-CG 3.47Å; H751-L753 VanDerWaalsContact NE2-CD2 3.31Å; H751-L753 WeakPolarHBondContact NE2-CD2 3.36Å; L753-V863 HydrophobicContact CD2-CG1 3.77Å; L753-W877 HydrophobicContact CB-CH2 4.21Å; L753-W877 HydrophobicContact CB-CZ3 4Å; L753-W877 HydrophobicContact CD1-CZ3 4.45Å; L753-S878 VanDerWaalsContact CD1-CB 3.5Å; L753-T930 HydrophobicContact CB-CG2 4.2Å; L753-T930 HydrophobicContact CD2-CG2 3.91Å; L753-V931 CarbonylContact C-O 3.53Å; L753-V931 WeakPolarHBondContact CA-O 3.42Å
754	F	98.5	Very high	95.1	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	126.3	176.9	-54.6	-92.1	0	0	0	109	L575 T578 Y699 F701 V715 P717 H752 F756 T930 V931 L952	L575-F754 HydrophobicContact CD1-CB 3.82Å; L575-F754 HydrophobicContact CD1-CD1 4.32Å; T578-F754 WeakPolarHBondContact OG1-CE1 3.34Å; Y699-F754 HydrophobicContact CD1-CE1 4.28Å; Y699-F754 HydrophobicContact CD1-CZ 4.19Å; Y699-F754 AromaticContact CD2-CE1 3.75Å; Y699-F754 HydrophobicContact CD2-CE1 3.75Å; Y699-F754 HydrophobicContact CD2-CZ 4.41Å; Y699-F754 HydrophobicContact CE1-CE1 4.28Å; Y699-F754 HydrophobicContact CE1-CZ 4Å; Y699-F754 AromaticContact CE2-CE1 3.72Å; Y699-F754 HydrophobicContact CE2-CE1 3.72Å; Y699-F754 HydrophobicContact CE2-CZ 4.21Å; Y699-F754 HydrophobicContact CG-CE1 4.04Å; Y699-F754 HydrophobicContact CG-CZ 4.4Å; F701-F754 HydrophobicContact CE1-CD1 4.24Å; V715-F754 HydrophobicContact CB-CD1 4.46Å; V715-F754 HydrophobicContact CB-CG 4.45Å; V715-F754 HydrophobicContact CG1-CB 4.14Å; V715-F754 HydrophobicContact CG1-CD1 4.19Å; V715-F754 HydrophobicContact CG1-CD2 3.6Å; V715-F754 HydrophobicContact CG1-CE2 4Å; V715-F754 HydrophobicContact CG1-CG 3.7Å; V715-F754 HydrophobicContact CG1-CZ 4.47Å; V715-F754 HydrophobicContact CG2-CD1 3.87Å; V715-F754 HydrophobicContact CG2-CD2 4.39Å; V715-F754 HydrophobicContact CG2-CE1 3.64Å; V715-F754 HydrophobicContact CG2-CE2 4.19Å; V715-F754 HydrophobicContact CG2-CG 4.24Å; V715-F754 HydrophobicContact CG2-CZ 3.82Å; P717-F754 HydrophobicContact CG-CE2 3.92Å; P717-F754 HydrophobicContact CG-CZ 3.86Å; H752-F754 HydrophobicContact CB-CE2 3.87Å; H752-F754 HydrophobicContact CB-CZ 4.29Å; F754-F756 HydrophobicContact CB-CE2 3.84Å; F754-T930 WeakPolarHBondContact O-CA 3.46Å; F754-V931 HydrophobicContact CB-CG2 3.77Å; F754-V931 HydrophobicContact CD2-CG2 4.28Å; F754-V931 HydrophobicContact CG-CG2 4.46Å; F754-V931 PolarHBondContact N-O 3.45Å; F754-V931 PolarHBondContact O-N 3.1Å; F754-L952 HydrophobicContact CD2-CD1 4.11Å; F754-L952 HydrophobicContact CE2-CD1 4.11Å
755	H	98.6	Very high	95.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.4	-175.5	-166.9	55.4	0	0	0	111.1	L575 E576 E577 W877 F910 W928 L929 T930	L575-H755 CarbonylContact C-O 3.59Å; L575-H755 WeakPolarHBondContact CA-O 3.5Å; L575-H755 WeakPolarHBondContact CD1-O 3.31Å; E576-H755 PolarHBondContact N-O 3.41Å; E577-H755 PolarHBondContact O-N 2.89Å; H755-W877 HydrophobicContact CB-CD2 3.83Å; H755-W877 HydrophobicContact CB-CE3 3.52Å; H755-W877 HydrophobicContact CB-CH2 4Å; H755-W877 HydrophobicContact CB-CZ2 4.32Å; H755-W877 HydrophobicContact CB-CZ3 3.63Å; H755-W877 AromaticContact CD2-CG 3.79Å; H755-W877 AromaticContact CG-CD2 3.7Å; H755-W877 AromaticContact CG-CE3 3.58Å; H755-W877 AromaticContact CG-CG 3.93Å; H755-W877 AromaticContact ND1-CE3 3.71Å; H755-F910 AromaticContact NE2-CE2 3.96Å; H755-W928 AromaticContact NE2-CE3 3.75Å; H755-L929 CarbonylContact C-O 3.14Å; H755-L929 PolarHBondContact ND1-O 3.43Å; H755-T930 PolarHBondContact ND1-OG1 3.1Å
756	F	98.7	Very high	95.6	Very high	9 Å²	9	17.2 Å²	17.2	4%	0.039	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	137.9	-176.6	-68.9	-94.5	0	0	0	110.9	G574 L575 F713 F754 W928 L929 V931 I954	G574-F756 WeakPolarHBondContact O-CA 3.4Å; L575-F756 HydrophobicContact CB-CD1 4.36Å; L575-F756 HydrophobicContact CB-CE1 4.14Å; L575-F756 HydrophobicContact CD1-CD2 4.38Å; L575-F756 HydrophobicContact CD1-CE1 4.14Å; L575-F756 HydrophobicContact CD1-CE2 3.99Å; L575-F756 HydrophobicContact CD1-CZ 3.87Å; F713-F756 HydrophobicContact CB-CD1 4.26Å; F713-F756 HydrophobicContact CB-CE1 4.14Å; F754-F756 HydrophobicContact CB-CE2 3.84Å; F756-W928 WeakPolarHBondContact O-CA 3.22Å; F756-L929 PolarHBondContact N-O 3.17Å; F756-L929 PolarHBondContact O-N 3.03Å; F756-V931 HydrophobicContact CD2-CG2 4.38Å; F756-V931 HydrophobicContact CE2-CG2 3.8Å; F756-I954 HydrophobicContact CB-CD1 4.02Å; F756-I954 HydrophobicContact CD2-CD1 3.57Å; F756-I954 HydrophobicContact CE2-CD1 4.27Å; F756-I954 HydrophobicContact CG-CD1 3.91Å
757	K	98.4	Very high	95.8	Very high	9 Å²	9	16.8 Å²	16.8	4%	0.039	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	131.6	164.6	-179.4	-179.9	-171	177.4	0	108.7	E572 A573 G574 E576 E891 S892 V926 W928	E572-K757 IonicContact OE2-NZ 3.39Å; A573-K757 WeakPolarHBondContact CA-O 3.36Å; G574-K757 PolarHBondContact N-O 2.87Å; G574-K757 PolarHBondContact O-N 3.23Å; E576-K757 HydrophobicContact CG-CB 3.45Å; E576-K757 VanDerWaalsContact CG-CB 3.45Å; E576-K757 WeakPolarHBondContact OE1-CB 3.33Å; E576-K757 WeakPolarHBondContact OE1-CD 3.44Å; K757-E891 PolarHBondContact NZ-O 3.24Å; K757-S892 PolarHBondContact NZ-O 2.97Å; K757-V926 HydrophobicContact CG-CG1 3.76Å; K757-W928 HydrophobicContact CB-CE3 3.93Å; K757-W928 HydrophobicContact CB-CH2 4.46Å; K757-W928 HydrophobicContact CB-CZ3 3.65Å; K757-W928 HydrophobicContact CD-CH2 3.74Å; K757-W928 HydrophobicContact CD-CZ3 3.72Å; K757-W928 HydrophobicContact CG-CE3 4.11Å; K757-W928 HydrophobicContact CG-CH2 3.95Å; K757-W928 HydrophobicContact CG-CZ3 3.62Å
758	I	98.5	Very high	95.9	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	101.2	171.3	-48.7	-176.1	0	0	0	108	I570 A573 F713 I760 L927 L929 I954 I956	I570-I758 HydrophobicContact CD1-CG2 3.9Å; I570-I758 HydrophobicContact CG1-CG2 4.29Å; I570-I758 HydrophobicContact CG2-CG2 4.22Å; A573-I758 HydrophobicContact CB-CB 4.39Å; A573-I758 HydrophobicContact CB-CG1 4.25Å; A573-I758 HydrophobicContact CB-CG2 4.12Å; F713-I758 HydrophobicContact CD2-CD1 3.89Å; F713-I758 HydrophobicContact CE2-CD1 3.83Å; F713-I758 HydrophobicContact CE2-CG1 4.47Å; I758-I760 HydrophobicContact CG2-CD1 3.48Å; I758-I760 VanDerWaalsContact CG2-CD1 3.48Å; I758-I760 HydrophobicContact CG2-CG1 4.21Å; I758-L927 HydrophobicContact CB-CB 4.24Å; I758-L927 HydrophobicContact CB-CD1 4.49Å; I758-L927 PolarHBondContact N-O 3.46Å; I758-L927 PolarHBondContact O-N 3.49Å; I758-L929 HydrophobicContact CD1-CD1 3.74Å; I758-L929 HydrophobicContact CG1-CD1 4.42Å; I758-I954 HydrophobicContact CD1-CG2 4.08Å; I758-I956 HydrophobicContact CD1-CD1 3.92Å; I758-I956 HydrophobicContact CD1-CG1 3.96Å
759	D	97.9	Very high	96	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	106.5	176.3	-178.1	-12.3	0	0	0	108.9	K248 I570 S571 E572 V926	K248-D759 WeakPolarHBondContact CD-OD2 3.18Å; K248-D759 IonicContact NZ-OD1 3.6Å; K248-D759 PolarHBondContact NZ-OD1 3.29Å; K248-D759 IonicContact NZ-OD2 3.93Å; I570-D759 CarbonylContact C-O 3.45Å; I570-D759 WeakPolarHBondContact CA-O 3.34Å; I570-D759 WeakPolarHBondContact CG2-O 3.35Å; S571-D759 PolarHBondContact N-O 3.2Å; E572-D759 HydrophobicContact CB-CB 4.16Å; E572-D759 WeakPolarHBondContact O-CB 3.37Å; E572-D759 PolarHBondContact O-N 3.2Å; D759-V926 HydrophobicContact CB-CG2 4.37Å
760	I	96.9	Very high	96.1	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	126.4	-169.8	-61.6	-66.3	0	0	0	110.6	I570 I758 I762 N767 I831 L855 L925 L927	I570-I760 HydrophobicContact CG1-CD1 4.05Å; I758-I760 HydrophobicContact CG2-CD1 3.48Å; I758-I760 VanDerWaalsContact CG2-CD1 3.48Å; I758-I760 HydrophobicContact CG2-CG1 4.21Å; I760-I762 HydrophobicContact CG2-CB 4.16Å; I760-I762 HydrophobicContact CG2-CG2 3.84Å; I760-N767 PolarHBondContact O-ND2 2.66Å; I760-N767 VanDerWaalsContact O-ND2 3.13Å; I760-I831 HydrophobicContact CB-CG2 4.33Å; I760-I831 HydrophobicContact CG2-CG2 3.82Å; I760-L855 HydrophobicContact CD1-CD1 4.05Å; I760-L855 HydrophobicContact CG2-CD1 4.07Å; I760-L925 PolarHBondContact N-O 3.32Å; I760-L927 HydrophobicContact CD1-CD1 4.04Å; I760-L927 HydrophobicContact CG1-CD1 3.63Å; I760-L927 HydrophobicContact CG1-CG 3.88Å
761	D	93.9	Very high	96.1	Very high	10 Å²	10	15 Å²	15	5%	0.053	8%	0.075	C	C	.	.			trans	-126.5	59.9	172.1	-77.2	-23.5	0	0	0	108.9	K248 S568 L569 S571 V763 N764	K248-D761 WeakPolarHBondContact CE-OD1 3.41Å; K248-D761 WeakPolarHBondContact CE-OD2 3.48Å; K248-D761 VanDerWaalsContact NZ-CG 3.34Å; K248-D761 IonicContact NZ-OD1 3.64Å; K248-D761 PolarHBondContact NZ-OD1 2.81Å; K248-D761 IonicContact NZ-OD2 2.89Å; K248-D761 PolarHBondContact NZ-OD2 2.83Å; S568-D761 CarbonylContact C-O 3.56Å; S568-D761 VanDerWaalsContact CB-O 3.31Å; S568-D761 WeakPolarHBondContact CB-O 3.39Å; S568-D761 PolarHBondContact OG-O 3.05Å; L569-D761 CarbonylContact O-C 3.49Å; L569-D761 PolarHBondContact O-N 3.29Å; S571-D761 WeakPolarHBondContact CB-OD2 3.34Å; S571-D761 PolarHBondContact OG-OD2 3.38Å; D761-V763 PolarHBondContact O-N 2.87Å; D761-N764 CarbonylContact C-O 3.56Å; D761-N764 VanDerWaalsContact CA-O 3.26Å; D761-N764 WeakPolarHBondContact CA-O 3.13Å
762	I	94.9	Very high	96.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.078	C	C	.	.	S	Bend	trans	-69.6	111.4	-179.9	174.3	165.5	0	0	0	110.2	S568 I760 N764 N767 S833 C854 L855 L961	S568-I762 WeakPolarHBondContact O-CA 3.45Å; I760-I762 HydrophobicContact CG2-CB 4.16Å; I760-I762 HydrophobicContact CG2-CG2 3.84Å; I762-N764 PolarHBondContact N-O 3.3Å; I762-N764 PolarHBondContact O-N 2.94Å; I762-N764 PolarHBondContact O-OD1 2.74Å; I762-N767 WeakPolarHBondContact CG2-OD1 3.44Å; I762-S833 WeakPolarHBondContact O-CB 3.46Å; I762-S833 PolarHBondContact O-OG 2.9Å; I762-C854 VanDerWaalsContact CD1-C 3.47Å; I762-L855 HydrophobicContact CB-CD1 4.11Å; I762-L855 HydrophobicContact CB-CG 4.33Å; I762-L855 HydrophobicContact CD1-CD1 4.34Å; I762-L855 HydrophobicContact CD1-CD2 3.99Å; I762-L855 HydrophobicContact CD1-CG 3.64Å; I762-L855 HydrophobicContact CG1-CG 4.44Å; I762-L961 HydrophobicContact CD1-CD1 4.04Å; I762-L961 HydrophobicContact CD1-CD2 4.16Å; I762-L961 HydrophobicContact CG1-CD1 4.33Å
763	V	91.1	Very high	96	Very high	58 Å²	58	18.7 Å²	18.7	35%	0.352	9%	0.092	S	C	.	.	S	Bend	trans	65.7	-48.2	-174.4	-176.9	0	0	0	0	113.4	V567 S568 D761 K853 L961	V567-V763 HydrophobicContact CG1-CG2 3.97Å; S568-V763 PolarHBondContact O-N 3.03Å; D761-V763 PolarHBondContact O-N 2.87Å; V763-K853 HydrophobicContact CG2-CD 4.3Å; V763-L961 HydrophobicContact CG2-CD1 3.97Å
764	N	89	Confident	95.8	Very high	52 Å²	52	21.5 Å²	21.5	28%	0.278	11%	0.106	S	C	.	.	S	Bend	trans	-146.6	-173	178.4	58.6	15.9	0	0	0	109.8	D761 I762 E766 S833 T834	D761-N764 CarbonylContact C-O 3.56Å; D761-N764 VanDerWaalsContact CA-O 3.26Å; D761-N764 WeakPolarHBondContact CA-O 3.13Å; I762-N764 PolarHBondContact N-O 3.3Å; I762-N764 PolarHBondContact O-N 2.94Å; I762-N764 PolarHBondContact O-OD1 2.74Å; N764-E766 PolarHBondContact OD1-O 2.89Å; N764-S833 PolarHBondContact OD1-OG 2.98Å; N764-T834 PolarHBondContact ND2-O 3.44Å
765	K	93.9	Very high	95.5	Very high	74 Å²	74	24 Å²	24	32%	0.322	12%	0.118	S	C	.	.	S	Bend	trans	-86.1	-27.5	-177.5	-60.2	-172	174.8	-169.1	0	112	S252 N767 E923 D924	S252-K765 PolarHBondContact OG-NZ 2.89Å; K765-N767 PolarHBondContact O-N 2.81Å; K765-N767 PolarHBondContact O-ND2 3.09Å; K765-E923 CarbonylContact O-C 3.26Å; K765-D924 HydrophobicContact CB-CB 4.42Å; K765-D924 WeakPolarHBondContact O-CA 3.36Å
766	E	95.1	Very high	95	Very high	87 Å²	87	25 Å²	25	41%	0.407	13%	0.129	S	C	.	.			trans	-81.3	105.2	-173.4	-57.8	84	176.5	0	0	112	N764 T834 N922	N764-E766 PolarHBondContact OD1-O 2.89Å; E766-T834 WeakPolarHBondContact O-CB 3.43Å; E766-T834 PolarHBondContact O-N 3.39Å; E766-T834 PolarHBondContact O-OG1 2.82Å; E766-N922 WeakPolarHBondContact CB-OD1 3.13Å
767	N	96	Very high	94.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	165.9	-172.1	-64.9	-62.1	0	0	0	112.3	I760 I762 K765 I831 C832 N922 E923 L925	I760-N767 PolarHBondContact O-ND2 2.66Å; I760-N767 VanDerWaalsContact O-ND2 3.13Å; I762-N767 WeakPolarHBondContact CG2-OD1 3.44Å; K765-N767 PolarHBondContact O-N 2.81Å; K765-N767 PolarHBondContact O-ND2 3.09Å; N767-I831 HydrophobicContact CB-CG2 4.02Å; N767-C832 CarbonylContact C-O 3.49Å; N767-C832 VanDerWaalsContact CA-O 3.26Å; N767-C832 WeakPolarHBondContact CA-O 3.48Å; N767-N922 CarbonylContact O-C 3.53Å; N767-N922 VanDerWaalsContact O-CA 3.29Å; N767-N922 WeakPolarHBondContact O-CA 3.3Å; N767-N922 PolarHBondContact O-N 2.87Å; N767-E923 WeakPolarHBondContact CA-O 3.29Å; N767-E923 PolarHBondContact N-O 2.84Å; N767-E923 PolarHBondContact O-N 3.13Å; N767-L925 HydrophobicContact CB-CB 4.43Å; N767-L925 HydrophobicContact CB-CD1 3.89Å; N767-L925 HydrophobicContact CB-CG 4.02Å
768	F	95.8	Very high	93.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	160	169.2	66.6	-81.9	0	0	0	110.4	K770 I810 C832 D852 F921	F768-K770 HydrophobicContact CD2-CG 4.24Å; F768-K770 HydrophobicContact CE2-CD 4.22Å; F768-K770 HydrophobicContact CE2-CG 3.69Å; F768-I810 HydrophobicContact CD2-CG2 4.09Å; F768-I810 HydrophobicContact CE2-CD1 4.41Å; F768-C832 HydrophobicContact CD1-CB 4.1Å; F768-C832 WeakPolarHBondContact CD1-O 3.31Å; F768-C832 HydrophobicContact CD2-CB 4.35Å; F768-C832 HydrophobicContact CE1-CB 3.59Å; F768-C832 HydrophobicContact CE2-CB 3.89Å; F768-C832 HydrophobicContact CG-CB 4.46Å; F768-C832 HydrophobicContact CZ-CB 3.48Å; F768-C832 VanDerWaalsContact CZ-CB 3.48Å; F768-C832 PolarHBondContact N-O 2.79Å; F768-C832 PolarHBondContact O-N 3.15Å; F768-D852 HydrophobicContact CZ-CB 4.4Å; F768-F921 HydrophobicContact CB-CD2 3.58Å; F768-F921 HydrophobicContact CB-CE2 3.87Å; F768-F921 HydrophobicContact CB-CG 4.35Å; F768-F921 HydrophobicContact CD1-CE2 4.3Å; F768-F921 HydrophobicContact CD2-CD2 4.26Å; F768-F921 AromaticContact CD2-CE2 3.88Å; F768-F921 HydrophobicContact CD2-CE2 3.88Å; F768-F921 HydrophobicContact CE2-CE2 4.48Å; F768-F921 HydrophobicContact CG-CD2 4.01Å; F768-F921 AromaticContact CG-CE2 3.76Å; F768-F921 HydrophobicContact CG-CE2 3.76Å
769	I	96.8	Very high	92.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	136.3	176.8	-177.5	161.3	0	0	0	112	P811 F819 Y829 L830 I831 L882 V884 I920	I769-P811 HydrophobicContact CG2-CB 3.99Å; I769-P811 HydrophobicContact CG2-CG 3.96Å; I769-F819 HydrophobicContact CD1-CE2 3.65Å; I769-F819 HydrophobicContact CD1-CZ 4.17Å; I769-Y829 HydrophobicContact CD1-CD1 4.16Å; I769-L830 CarbonylContact C-O 3.22Å; I769-L830 WeakPolarHBondContact CA-O 3.34Å; I769-I831 HydrophobicContact CB-CD1 3.76Å; I769-I831 HydrophobicContact CD1-CD1 3.87Å; I769-I831 HydrophobicContact CG1-CD1 3.89Å; I769-L882 HydrophobicContact CD1-CD2 4.41Å; I769-V884 HydrophobicContact CD1-CG2 3.71Å; I769-I920 HydrophobicContact CG2-CD1 3.79Å
770	K	96.3	Very high	92.2	Very high	4 Å²	4	37 Å²	37	2%	0.017	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	136.7	162	-61.9	-174.4	176.1	-170.3	0	110	F768 I808 D809 I810 L830 Y848 R850 D852	F768-K770 HydrophobicContact CD2-CG 4.24Å; F768-K770 HydrophobicContact CE2-CD 4.22Å; F768-K770 HydrophobicContact CE2-CG 3.69Å; K770-I808 HydrophobicContact CB-CG2 4.04Å; K770-I808 HydrophobicContact CD-CG2 4.02Å; K770-I808 HydrophobicContact CG-CG2 4.16Å; K770-D809 WeakPolarHBondContact CA-O 3.5Å; K770-I810 HydrophobicContact CG-CG1 4.25Å; K770-L830 HydrophobicContact CB-CB 4.21Å; K770-L830 PolarHBondContact N-O 2.91Å; K770-L830 PolarHBondContact O-N 2.86Å; K770-Y848 PolarHBondContact NZ-O 3.04Å; K770-R850 PolarHBondContact NZ-O 3.2Å; K770-D852 WeakPolarHBondContact CE-OD2 3.49Å; K770-D852 IonicContact NZ-OD2 2.77Å; K770-D852 PolarHBondContact NZ-OD2 2.88Å
771	V	96.9	Very high	91.6	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.03	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	105.6	169.4	-173.2	0	0	0	0	107.8	K773 I808 D809 P811 F819 K827 Q828 Y829	V771-K773 HydrophobicContact CG1-CG 4.24Å; V771-K773 PolarHBondContact O-N 2.83Å; V771-I808 WeakPolarHBondContact O-CA 3.21Å; V771-D809 HydrophobicContact CB-CB 4.33Å; V771-D809 PolarHBondContact N-O 2.83Å; V771-D809 PolarHBondContact O-N 3.42Å; V771-P811 HydrophobicContact CG2-CG 3.67Å; V771-F819 HydrophobicContact CG2-CE1 3.74Å; V771-F819 HydrophobicContact CG2-CZ 3.65Å; V771-K827 HydrophobicContact CG1-CB 4.26Å; V771-K827 HydrophobicContact CG1-CD 4.18Å; V771-Q828 WeakPolarHBondContact CA-O 3.35Å; V771-Y829 HydrophobicContact CG1-CD1 4.29Å; V771-Y829 HydrophobicContact CG1-CE1 4.05Å; V771-Y829 HydrophobicContact CG2-CD1 4.04Å; V771-Y829 HydrophobicContact CG2-CE1 4.2Å
772	V	96	Very high	91.2	Very high	13 Å²	13	44.2 Å²	44.2	8%	0.079	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	107	176.1	-174.4	0	0	0	0	107.7	I774 L806 I808 K827 Q828 L830	V772-I774 HydrophobicContact CG1-CD1 4.33Å; V772-L806 HydrophobicContact CG1-CB 4.18Å; V772-L806 HydrophobicContact CG1-CD1 4.39Å; V772-L806 HydrophobicContact CG1-CD2 4.2Å; V772-I808 HydrophobicContact CG2-CG1 4.36Å; V772-K827 CarbonylContact O-C 3.58Å; V772-K827 WeakPolarHBondContact O-CA 3.42Å; V772-K827 WeakPolarHBondContact O-CB 3.39Å; V772-Q828 HydrophobicContact CB-CB 4.35Å; V772-Q828 PolarHBondContact N-O 3Å; V772-Q828 PolarHBondContact O-N 3.43Å; V772-L830 HydrophobicContact CG2-CD1 3.73Å; V772-L830 HydrophobicContact CG2-CG 4.17Å
773	K	95.3	Very high	90.7	Very high	68 Å²	68	46.7 Å²	46.7	30%	0.296	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	135.9	177.7	-67.4	177.1	169.7	174.9	0	109.8	V771 L806 S807 D809	V771-K773 HydrophobicContact CG1-CG 4.24Å; V771-K773 PolarHBondContact O-N 2.83Å; K773-L806 CarbonylContact O-C 3.55Å; K773-L806 WeakPolarHBondContact O-CA 3.38Å; K773-L806 WeakPolarHBondContact O-CB 3.27Å; K773-S807 PolarHBondContact N-O 2.86Å; K773-S807 PolarHBondContact O-N 2.91Å; K773-D809 WeakPolarHBondContact CD-OD2 3.44Å; K773-D809 WeakPolarHBondContact CE-OD2 3.46Å; K773-D809 IonicContact NZ-OD2 3.05Å; K773-D809 PolarHBondContact NZ-OD2 3.15Å
774	I	93.6	Very high	90.3	Very high	60 Å²	60	50.6 Å²	50.6	31%	0.308	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	131.5	175.6	-52	-57.2	0	0	0	108.8	V772 L806 P826	V772-I774 HydrophobicContact CG1-CD1 4.33Å; I774-L806 HydrophobicContact CD1-CB 3.9Å; I774-P826 HydrophobicContact CB-CB 4.34Å; I774-P826 HydrophobicContact CB-CG 4.06Å; I774-P826 PolarHBondContact N-O 3.16Å
775	H	91.8	Very high	89.9	Confident	53 Å²	53	50.8 Å²	50.8	25%	0.245	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	157.5	-179.2	-58.3	-79.8	0	0	0	110.1	L804 W805 S807	H775-L804 VanDerWaalsContact O-CA 3.3Å; H775-L804 WeakPolarHBondContact O-CA 3.35Å; H775-L804 WeakPolarHBondContact O-CD2 3.23Å; H775-W805 HydrophobicContact CB-CD2 3.69Å; H775-W805 HydrophobicContact CB-CE3 4.33Å; H775-W805 HydrophobicContact CB-CG 4.05Å; H775-W805 HydrophobicContact CB-CH2 4.28Å; H775-W805 HydrophobicContact CB-CZ2 3.61Å; H775-W805 AromaticContact CD2-CD1 3.84Å; H775-W805 AromaticContact CD2-NE1 3.67Å; H775-W805 AromaticContact CG-NE1 3.6Å; H775-W805 PolarHBondContact N-O 3.43Å; H775-W805 PolarHBondContact O-N 2.86Å; H775-W805 VanDerWaalsContact O-N 3.09Å; H775-S807 WeakPolarHBondContact NE2-CB 3.35Å; H775-S807 PolarHBondContact NE2-OG 3.38Å
776	G	88.8	Confident	89.3	Confident	22 Å²	22	51.2 Å²	51.2	23%	0.227	27%	0.265	C	S	.	.			trans	-145.7	-170.6	173.1	0	0	0	0	0	111	L778 L803 W805	G776-L778 PolarHBondContact O-N 2.97Å; G776-L778 VanDerWaalsContact O-N 3.09Å; G776-L803 WeakPolarHBondContact CA-O 3.39Å; G776-W805 VanDerWaalsContact C-CH2 3.49Å; G776-W805 WeakPolarHBondContact O-CH2 3.45Å; G776-W805 WeakPolarHBondContact O-CZ3 3.38Å
777	S	84.1	Confident	88.4	Confident	43 Å²	43	51.3 Å²	51.3	30%	0.301	27%	0.273	S	S	.	.	S	Bend	trans	-59.3	-22.8	-174.2	59.6	0	0	0	0	115.1	E802	S777-E802 PolarHBondContact OG-OE2 2.98Å
778	L	83.6	Confident	87.5	Confident	47 Å²	47	57.6 Å²	57.6	25%	0.246	31%	0.306	C	S	.	.	S	Bend	trans	-87.9	131.9	177.1	-60.7	177.8	0	0	0	111.5	G776 Q782 I783	G776-L778 PolarHBondContact O-N 2.97Å; G776-L778 VanDerWaalsContact O-N 3.09Å; L778-Q782 HydrophobicContact CB-CB 4.35Å; L778-Q782 HydrophobicContact CD2-CB 4.37Å; L778-I783 HydrophobicContact CB-CD1 4.44Å; L778-I783 HydrophobicContact CB-CG1 3.76Å; L778-I783 HydrophobicContact CD1-CG1 4.37Å
779	T	83	Confident	86.2	Confident	77 Å²	77	62.4 Å²	62.4	47%	0.472	33%	0.328	S	S	.	.			trans	-71	159.2	171.1	70.6	0	0	0	0	111.6	D781 Q782 I783	T779-D781 PolarHBondContact O-N 3.31Å; T779-D781 VanDerWaalsContact O-N 3.12Å; T779-Q782 WeakPolarHBondContact O-CB 3.43Å; T779-Q782 PolarHBondContact O-N 2.88Å; T779-Q782 VanDerWaalsContact OG1-CG 3.29Å; T779-Q782 WeakPolarHBondContact OG1-CG 3.3Å; T779-Q782 PolarHBondContact OG1-N 2.97Å; T779-I783 WeakPolarHBondContact O-CG1 3.4Å; T779-I783 PolarHBondContact O-N 3.31Å
780	E	82.9	Confident	84.8	Confident	103 Å²	103	64.3 Å²	64.3	48%	0.481	34%	0.337	S	S	.	.	H	α-helix	trans	-56.3	-31.4	178.3	-63.7	-165.6	174.7	0	0	113.4	K784 F825	E780-K784 WeakPolarHBondContact O-CG 3.39Å; E780-F825 HydrophobicContact CB-CE1 3.87Å; E780-F825 HydrophobicContact CB-CZ 4.32Å; E780-F825 HydrophobicContact CG-CD1 4.32Å; E780-F825 HydrophobicContact CG-CE1 3.71Å
781	D	84.7	Confident	83.2	Confident	115 Å²	115	68.9 Å²	68.9	62%	0.615	37%	0.366	S	S	*	.	H	α-helix	trans	-76	-37.9	176.3	-67.3	-30.9	0	0	0	111.7	T779 I783 K784 L785	T779-D781 PolarHBondContact O-N 3.31Å; T779-D781 VanDerWaalsContact O-N 3.12Å; D781-I783 VanDerWaalsContact C-N 3.35Å; D781-K784 PolarHBondContact O-N 2.7Å; D781-K784 IonicContact OD1-NZ 3.3Å; D781-L785 PolarHBondContact O-N 3.24Å
782	Q	85.2	Confident	81.3	Confident	47 Å²	47	73 Å²	73	22%	0.22	39%	0.391	C	S	.	.	H	α-helix	trans	-65.9	-36.2	175.2	-73.5	171.4	-23	0	0	112.5	L778 T779 K784 L785 Q790	L778-Q782 HydrophobicContact CB-CB 4.35Å; L778-Q782 HydrophobicContact CD2-CB 4.37Å; T779-Q782 WeakPolarHBondContact O-CB 3.43Å; T779-Q782 PolarHBondContact O-N 2.88Å; T779-Q782 VanDerWaalsContact OG1-CG 3.29Å; T779-Q782 WeakPolarHBondContact OG1-CG 3.3Å; T779-Q782 PolarHBondContact OG1-N 2.97Å; Q782-K784 PolarHBondContact O-N 3.28Å; Q782-L785 HydrophobicContact CG-CD1 4.48Å; Q782-L785 WeakPolarHBondContact O-CB 3.39Å; Q782-L785 PolarHBondContact O-N 3.09Å; Q782-Q790 PolarHBondContact O-NE2 3Å
783	I	84.1	Confident	79.2	Confident	53 Å²	53	77 Å²	77	27%	0.272	41%	0.412	S	S	.	.	H	α-helix	trans	-60.6	-30.9	177.2	-67.6	168.5	0	0	0	111.4	L778 T779 D781 E824 F825	L778-I783 HydrophobicContact CB-CD1 4.44Å; L778-I783 HydrophobicContact CB-CG1 3.76Å; L778-I783 HydrophobicContact CD1-CG1 4.37Å; T779-I783 WeakPolarHBondContact O-CG1 3.4Å; T779-I783 PolarHBondContact O-N 3.31Å; D781-I783 VanDerWaalsContact C-N 3.35Å; I783-E824 HydrophobicContact CG2-CB 3.77Å; I783-E824 HydrophobicContact CG2-CG 4.19Å; I783-F825 HydrophobicContact CD1-CE1 4.17Å
784	K	82.8	Confident	77.2	Confident	139 Å²	139	80.7 Å²	80.7	60%	0.604	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-12.2	178	-62.4	169.2	-164.7	155.4	0	113.4	E780 D781 Q782	E780-K784 WeakPolarHBondContact O-CG 3.39Å; D781-K784 PolarHBondContact O-N 2.7Å; D781-K784 IonicContact OD1-NZ 3.3Å; Q782-K784 PolarHBondContact O-N 3.28Å
785	L	81.9	Confident	75.2	Confident	57 Å²	57	82.4 Å²	82.4	30%	0.298	44%	0.441	S	S	.	.	S	Bend	trans	-76.4	152	176.7	-62.3	176.3	0	0	0	110.8	D781 Q782 Q789 Q790	D781-L785 PolarHBondContact O-N 3.24Å; Q782-L785 HydrophobicContact CG-CD1 4.48Å; Q782-L785 WeakPolarHBondContact O-CB 3.39Å; Q782-L785 PolarHBondContact O-N 3.09Å; L785-Q789 HydrophobicContact CB-CB 4.37Å; L785-Q790 HydrophobicContact CB-CG 4.31Å; L785-Q790 PolarHBondContact O-NE2 2.93Å
786	D	80.1	Confident	73.3	Confident	82 Å²	82	86.7 Å²	86.7	44%	0.439	47%	0.466	S	S	.	.			trans	-51.4	132.1	167.4	-174.8	-36.5	0	0	0	109.7	L788 Q789 Q790	D786-L788 PolarHBondContact O-N 2.92Å; D786-L788 WeakPolarHBondContact OD1-CB 3.33Å; D786-L788 PolarHBondContact OD1-N 3.07Å; D786-Q789 HydrophobicContact CB-CG 4.28Å; D786-Q789 WeakPolarHBondContact O-CA 3.38Å; D786-Q789 WeakPolarHBondContact O-CB 3.5Å; D786-Q789 PolarHBondContact O-N 3.41Å; D786-Q790 PolarHBondContact O-N 3.49Å
787	P	76.8	Confident	71.6	Confident	90 Å²	90	89.4 Å²	89.4	58%	0.584	49%	0.494	S	S	*	.	H	α-helix	trans	-46.7	-32.7	175.8	-30.4	35.4	0	0	0	114.6	Q789 Q790	P787-Q789 VanDerWaalsContact C-N 3.31Å; P787-Q789 PolarHBondContact O-N 3.25Å; P787-Q790 PolarHBondContact O-N 3.19Å
788	L	76.3	Confident	70.1	Confident	131 Å²	131	92 Å²	92	69%	0.686	51%	0.512	S	S	*	.	H	α-helix	trans	-64.5	-34.8	176.5	-67.9	172	0	0	0	112.5	D786 T791	D786-L788 PolarHBondContact O-N 2.92Å; D786-L788 WeakPolarHBondContact OD1-CB 3.33Å; D786-L788 PolarHBondContact OD1-N 3.07Å; L788-T791 PolarHBondContact O-OG1 2.87Å
789	Q	69.2	Low	68.7	Low	101 Å²	101	97.6 Å²	97.6	47%	0.472	54%	0.542	S	S	.	.	H	α-helix	trans	-82.1	-19.1	179.1	-62	-178.4	15	0	0	113.2	L785 D786 P787 T791 T792	L785-Q789 HydrophobicContact CB-CB 4.37Å; D786-Q789 HydrophobicContact CB-CG 4.28Å; D786-Q789 WeakPolarHBondContact O-CA 3.38Å; D786-Q789 WeakPolarHBondContact O-CB 3.5Å; D786-Q789 PolarHBondContact O-N 3.41Å; P787-Q789 VanDerWaalsContact C-N 3.31Å; P787-Q789 PolarHBondContact O-N 3.25Å; Q789-T791 VanDerWaalsContact C-N 3.26Å; Q789-T791 PolarHBondContact O-N 3.44Å; Q789-T792 PolarHBondContact O-OG1 2.82Å; Q789-T792 VanDerWaalsContact O-OG1 3.13Å
790	Q	68.1	Low	67.5	Low	41 Å²	41	99.9 Å²	99.9	19%	0.192	55%	0.552	C	S	.	*	H	α-helix	trans	-66.4	-29.9	176.6	-64.1	176.5	17.7	0	0	111.7	Q782 L785 D786 P787	Q782-Q790 PolarHBondContact O-NE2 3Å; L785-Q790 HydrophobicContact CB-CG 4.31Å; L785-Q790 PolarHBondContact O-NE2 2.93Å; D786-Q790 PolarHBondContact O-N 3.49Å; P787-Q790 PolarHBondContact O-N 3.19Å
791	T	61.2	Low	66.8	Low	100 Å²	100	98.4 Å²	98.4	61%	0.613	55%	0.552	S	S	*	*	H	α-helix	trans	-76.3	-34.7	-178.1	65.5	0	0	0	0	113.7	L788 Q789 N793	L788-T791 PolarHBondContact O-OG1 2.87Å; Q789-T791 VanDerWaalsContact C-N 3.26Å; Q789-T791 PolarHBondContact O-N 3.44Å; T791-N793 VanDerWaalsContact C-N 3.35Å; T791-N793 PolarHBondContact O-N 2.88Å
792	T	56.7	Low	66.6	Low	91 Å²	91	99.1 Å²	99.1	56%	0.558	55%	0.552	S	S	*	*	H	α-helix	trans	-75	-26.2	-173.5	53.9	0	0	0	0	112.8	Q789	Q789-T792 PolarHBondContact O-OG1 2.82Å; Q789-T792 VanDerWaalsContact O-OG1 3.13Å
793	N	52.4	Low	66.6	Low	96 Å²	96	101.6 Å²	101.6	51%	0.513	57%	0.566	S	S	.	*	G	3₁₀ helix	trans	-87.9	-1.3	-177.8	-70.4	-16.3	0	0	0	113.9	T791 S795	T791-N793 VanDerWaalsContact C-N 3.35Å; T791-N793 PolarHBondContact O-N 2.88Å; N793-S795 PolarHBondContact O-N 3.46Å
794	R	54.6	Low	67	Low	146 Å²	146	105.8 Å²	105.8	55%	0.551	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-77.2	2	177.3	-76.9	-173.8	176.4	-157.4	-4.9	114.1	N796 E802	R794-N796 VanDerWaalsContact C-N 3.33Å; R794-N796 PolarHBondContact O-N 3.21Å; R794-E802 IonicContact CZ-OE1 3.89Å; R794-E802 VanDerWaalsContact CZ-OE1 3.31Å; R794-E802 IonicContact NH1-OE1 3.61Å; R794-E802 PolarHBondContact NH1-OE1 2.7Å; R794-E802 IonicContact NH2-OE1 3.28Å; R794-E802 PolarHBondContact NH2-OE1 3.21Å; R794-E802 IonicContact NH2-OE2 2.77Å
795	S	49.9	Very low	67.5	Low	97 Å²	97	105.6 Å²	105.6	68%	0.678	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-79.4	-1.5	-173.8	59.3	0	0	0	0	115.9	N793	N793-S795 PolarHBondContact O-N 3.46Å
796	N	51.8	Low	68	Low	143 Å²	143	106.5 Å²	106.5	77%	0.765	59%	0.589	S	S	*	*	S	Bend	trans	-114.8	78.7	-179.8	-75.8	-7.6	0	0	0	112.7	R794 S798	R794-N796 VanDerWaalsContact C-N 3.33Å; R794-N796 PolarHBondContact O-N 3.21Å; N796-S798 VanDerWaalsContact C-N 3.33Å; N796-S798 PolarHBondContact O-N 3.16Å
797	G	53.3	Low	68.7	Low	79 Å²	79	104 Å²	104	81%	0.814	58%	0.577	S	S	*	*	S	Bend	trans	70.5	-6.6	137.9	0	0	0	0	0	120.8	N799	G797-N799 PolarHBondContact O-N 2.93Å; G797-N799 VanDerWaalsContact O-N 3.14Å
798	S	54.3	Low	69.5	Low	96 Å²	96	100.7 Å²	100.7	67%	0.671	56%	0.555	S	S	*	*			trans	-82.5	90.9	168.9	59.9	0	0	0	0	109.3	N796 D800	N796-S798 VanDerWaalsContact C-N 3.33Å; N796-S798 PolarHBondContact O-N 3.16Å; S798-D800 PolarHBondContact O-N 3.38Å
799	N	53.8	Low	70.4	Confident	165 Å²	165	97.3 Å²	97.3	88%	0.882	54%	0.538	S	S	*	.			trans	-65.8	24.8	168.6	-99.4	-0.6	0	0	0	113	G797 S801	G797-N799 PolarHBondContact O-N 2.93Å; G797-N799 VanDerWaalsContact O-N 3.14Å; N799-S801 PolarHBondContact O-N 3.04Å
800	D	57.2	Low	71.6	Confident	126 Å²	126	93.1 Å²	93.1	67%	0.674	52%	0.518	S	S	*	.			trans	-66.7	105.5	172.7	-77.6	-23	0	0	0	106.6	S798	S798-D800 PolarHBondContact O-N 3.38Å
801	S	67.5	Low	73	Confident	71 Å²	71	91.6 Å²	91.6	50%	0.497	51%	0.512	S	S	.	.			trans	-47.4	154.1	172.3	37.1	0	0	0	0	109.7	N799 L803	N799-S801 PolarHBondContact O-N 3.04Å; S801-L803 WeakPolarHBondContact O-CB 3.19Å; S801-L803 WeakPolarHBondContact O-CG 3.18Å; S801-L803 PolarHBondContact O-N 3.45Å; S801-L803 WeakPolarHBondContact OG-CD1 3.32Å; S801-L803 VanDerWaalsContact OG-CG 3.23Å; S801-L803 WeakPolarHBondContact OG-CG 3.47Å
802	E	80.7	Confident	74.6	Confident	131 Å²	131	90.1 Å²	90.1	61%	0.612	50%	0.497	S	S	*	.	S	Bend	trans	-59.6	77.3	174.4	-64.7	-72.5	-176.5	0	0	110.3	S777 R794	S777-E802 PolarHBondContact OG-OE2 2.98Å; R794-E802 IonicContact CZ-OE1 3.89Å; R794-E802 VanDerWaalsContact CZ-OE1 3.31Å; R794-E802 IonicContact NH1-OE1 3.61Å; R794-E802 PolarHBondContact NH1-OE1 2.7Å; R794-E802 IonicContact NH2-OE1 3.28Å; R794-E802 PolarHBondContact NH2-OE1 3.21Å; R794-E802 IonicContact NH2-OE2 2.77Å
803	L	86.6	Confident	76.6	Confident	98 Å²	98	87.2 Å²	87.2	51%	0.513	48%	0.479	S	S	.	.			trans	-110.3	148.1	-175.8	-66.9	177.1	0	0	0	108.6	G776 S801	G776-L803 WeakPolarHBondContact CA-O 3.39Å; S801-L803 WeakPolarHBondContact O-CB 3.19Å; S801-L803 WeakPolarHBondContact O-CG 3.18Å; S801-L803 PolarHBondContact O-N 3.45Å; S801-L803 WeakPolarHBondContact OG-CD1 3.32Å; S801-L803 VanDerWaalsContact OG-CG 3.23Å; S801-L803 WeakPolarHBondContact OG-CG 3.47Å
804	L	90.9	Very high	78.8	Confident	142 Å²	142	82.7 Å²	82.7	74%	0.743	46%	0.455	S	S	*	.			trans	-106.9	139.6	167.3	-60.9	176.3	0	0	0	108.5	H775	H775-L804 VanDerWaalsContact O-CA 3.3Å; H775-L804 WeakPolarHBondContact O-CA 3.35Å; H775-L804 WeakPolarHBondContact O-CD2 3.23Å
805	W	93.2	Very high	80.8	Confident	134 Å²	134	80.1 Å²	80.1	51%	0.508	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	173	169.7	67.6	97.5	0	0	0	109.6	H775 G776	H775-W805 HydrophobicContact CB-CD2 3.69Å; H775-W805 HydrophobicContact CB-CE3 4.33Å; H775-W805 HydrophobicContact CB-CG 4.05Å; H775-W805 HydrophobicContact CB-CH2 4.28Å; H775-W805 HydrophobicContact CB-CZ2 3.61Å; H775-W805 AromaticContact CD2-CD1 3.84Å; H775-W805 AromaticContact CD2-NE1 3.67Å; H775-W805 AromaticContact CG-NE1 3.6Å; H775-W805 PolarHBondContact N-O 3.43Å; H775-W805 PolarHBondContact O-N 2.86Å; H775-W805 VanDerWaalsContact O-N 3.09Å; G776-W805 VanDerWaalsContact C-CH2 3.49Å; G776-W805 WeakPolarHBondContact O-CH2 3.45Å; G776-W805 WeakPolarHBondContact O-CZ3 3.38Å
806	L	93.5	Very high	83.1	Confident	77 Å²	77	80.7 Å²	80.7	40%	0.403	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	154.5	178.9	64.7	82.8	0	0	0	111.4	V772 K773 I774 I808 Y849	V772-L806 HydrophobicContact CG1-CB 4.18Å; V772-L806 HydrophobicContact CG1-CD1 4.39Å; V772-L806 HydrophobicContact CG1-CD2 4.2Å; K773-L806 CarbonylContact O-C 3.55Å; K773-L806 WeakPolarHBondContact O-CA 3.38Å; K773-L806 WeakPolarHBondContact O-CB 3.27Å; I774-L806 HydrophobicContact CD1-CB 3.9Å; L806-I808 HydrophobicContact CD1-CD1 4.31Å; L806-I808 HydrophobicContact CD1-CG1 4.03Å; L806-Y849 HydrophobicContact CD1-CD1 4.47Å; L806-Y849 HydrophobicContact CD1-CE1 3.97Å
807	S	94.1	Very high	85.3	Confident	28 Å²	28	73.9 Å²	73.9	20%	0.196	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	157.7	162.7	75.3	0	0	0	0	109.2	K773 H775	K773-S807 PolarHBondContact N-O 2.86Å; K773-S807 PolarHBondContact O-N 2.91Å; H775-S807 WeakPolarHBondContact NE2-CB 3.35Å; H775-S807 PolarHBondContact NE2-OG 3.38Å
808	I	95	Very high	87.4	Confident	22 Å²	22	73.7 Å²	73.7	11%	0.113	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123.8	179.5	-61.3	175.2	0	0	0	107.8	K770 V771 V772 L806 I810 Y848 Y849	K770-I808 HydrophobicContact CB-CG2 4.04Å; K770-I808 HydrophobicContact CD-CG2 4.02Å; K770-I808 HydrophobicContact CG-CG2 4.16Å; V771-I808 WeakPolarHBondContact O-CA 3.21Å; V772-I808 HydrophobicContact CG2-CG1 4.36Å; L806-I808 HydrophobicContact CD1-CD1 4.31Å; L806-I808 HydrophobicContact CD1-CG1 4.03Å; I808-I810 HydrophobicContact CG2-CG1 4.43Å; I808-Y848 HydrophobicContact CB-CD1 4.36Å; I808-Y848 WeakPolarHBondContact CD1-O 3.49Å; I808-Y848 HydrophobicContact CG2-CD1 4.18Å; I808-Y848 WeakPolarHBondContact O-CD1 3.33Å; I808-Y849 HydrophobicContact CD1-CD1 3.9Å; I808-Y849 HydrophobicContact CD1-CE1 4.2Å; I808-Y849 HydrophobicContact CG1-CE1 4.38Å
809	D	94.1	Very high	89.4	Confident	60 Å²	60	70 Å²	70	32%	0.321	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	145.3	168.3	-63.1	-13.8	0	0	0	109.3	K770 V771 K773 P811	K770-D809 WeakPolarHBondContact CA-O 3.5Å; V771-D809 HydrophobicContact CB-CB 4.33Å; V771-D809 PolarHBondContact N-O 2.83Å; V771-D809 PolarHBondContact O-N 3.42Å; K773-D809 WeakPolarHBondContact CD-OD2 3.44Å; K773-D809 WeakPolarHBondContact CE-OD2 3.46Å; K773-D809 IonicContact NZ-OD2 3.05Å; K773-D809 PolarHBondContact NZ-OD2 3.15Å; D809-P811 WeakPolarHBondContact O-CD 3.4Å
810	I	95	Very high	91.2	Very high	12 Å²	12	63.6 Å²	63.6	6%	0.062	32%	0.321	C	S	.	.			trans	-120.8	90.7	174.5	-59.1	175.6	0	0	0	107	F768 K770 I808 K812 Q847 Y848 F921	F768-I810 HydrophobicContact CD2-CG2 4.09Å; F768-I810 HydrophobicContact CE2-CD1 4.41Å; K770-I810 HydrophobicContact CG-CG1 4.25Å; I808-I810 HydrophobicContact CG2-CG1 4.43Å; I810-K812 HydrophobicContact CG2-CD 4.34Å; I810-K812 VanDerWaalsContact CG2-NZ 3.33Å; I810-K812 WeakPolarHBondContact O-CE 3.4Å; I810-K812 PolarHBondContact O-N 3.24Å; I810-Q847 HydrophobicContact CD1-CG 4.42Å; I810-Y848 HydrophobicContact CB-CE1 4.16Å; I810-Y848 HydrophobicContact CD1-CD1 3.75Å; I810-Y848 HydrophobicContact CD1-CE1 3.86Å; I810-Y848 HydrophobicContact CD1-CG 4.39Å; I810-Y848 HydrophobicContact CG1-CD1 3.82Å; I810-Y848 HydrophobicContact CG1-CE1 3.76Å; I810-F921 HydrophobicContact CG2-CD2 3.68Å; I810-F921 HydrophobicContact CG2-CE2 3.85Å
811	P	96.5	Very high	92.5	Very high	9 Å²	9	59.9 Å²	59.9	6%	0.058	30%	0.303	C	S	.	.			trans	-49.2	135.9	170.3	-24.4	30.7	0	0	0	110.7	I769 V771 D809 E816 A817 F819 I920	I769-P811 HydrophobicContact CG2-CB 3.99Å; I769-P811 HydrophobicContact CG2-CG 3.96Å; V771-P811 HydrophobicContact CG2-CG 3.67Å; D809-P811 WeakPolarHBondContact O-CD 3.4Å; P811-E816 WeakPolarHBondContact CA-OE2 3.43Å; P811-E816 HydrophobicContact CB-CB 3.99Å; P811-A817 HydrophobicContact CB-CB 4.46Å; P811-F819 HydrophobicContact CG-CE1 4.43Å; P811-F819 HydrophobicContact CG-CZ 3.83Å; P811-I920 HydrophobicContact CB-CD1 4.13Å
812	K	95.6	Very high	93.5	Very high	70 Å²	70	62.4 Å²	62.4	30%	0.304	30%	0.304	S	S	.	.			trans	-104.7	-22.9	-178	-61.5	-54.8	-178.3	-177.6	0	112.8	I810 E816 S919 I920 F921	I810-K812 HydrophobicContact CG2-CD 4.34Å; I810-K812 VanDerWaalsContact CG2-NZ 3.33Å; I810-K812 WeakPolarHBondContact O-CE 3.4Å; I810-K812 PolarHBondContact O-N 3.24Å; K812-E816 PolarHBondContact N-OE2 3.42Å; K812-S919 WeakPolarHBondContact O-CA 3.32Å; K812-I920 PolarHBondContact O-N 3.43Å; K812-F921 HydrophobicContact CD-CB 4.02Å; K812-F921 HydrophobicContact CD-CD2 4.2Å; K812-F921 HydrophobicContact CD-CG 4.16Å; K812-F921 VanDerWaalsContact NZ-CE2 3.32Å
813	T	98.3	Very high	93.7	Very high	30 Å²	30	65.3 Å²	65.3	18%	0.184	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-132.6	162.5	-176.4	75.3	0	0	0	0	113.1	M815 E816 A817 N917 E918 I920	T813-M815 VanDerWaalsContact C-N 3.32Å; T813-M815 PolarHBondContact O-N 2.03Å; T813-E816 WeakPolarHBondContact O-CB 3.46Å; T813-E816 PolarHBondContact O-N 2.89Å; T813-E816 VanDerWaalsContact O-N 3.15Å; T813-A817 PolarHBondContact O-N 3.23Å; T813-N917 WeakPolarHBondContact CB-OD1 3.35Å; T813-N917 PolarHBondContact OG1-ND2 3.34Å; T813-N917 PolarHBondContact OG1-OD1 3.43Å; T813-E918 WeakPolarHBondContact CA-O 3.42Å; T813-E918 WeakPolarHBondContact CB-O 3.4Å; T813-I920 WeakPolarHBondContact O-CD1 3.46Å
814	E	98.4	Very high	93.8	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.005	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-34.4	-178.3	-57.5	176.3	133.1	0	0	113.5	E816 A817 R818 T885 Q886 S914 N916 N917 E918 I920	E814-E816 VanDerWaalsContact C-N 3.33Å; E814-E816 PolarHBondContact O-N 2.79Å; E814-A817 CarbonylContact O-C 3.57Å; E814-A817 PolarHBondContact O-N 3.33Å; E814-A817 VanDerWaalsContact O-N 3.11Å; E814-R818 WeakPolarHBondContact O-CG 3.24Å; E814-T885 WeakPolarHBondContact OE1-CA 3.19Å; E814-T885 VanDerWaalsContact OE1-CB 3.31Å; E814-T885 WeakPolarHBondContact OE1-CB 3.28Å; E814-Q886 PolarHBondContact OE1-N 2.76Å; E814-S914 WeakPolarHBondContact OE2-CA 3.36Å; E814-N916 PolarHBondContact OE2-OD1 3.14Å; E814-N917 PolarHBondContact OE2-N 2.73Å; E814-E918 HydrophobicContact CG-CB 4.36Å; E814-E918 PolarHBondContact N-O 3.01Å; E814-E918 VanDerWaalsContact N-O 3.11Å; E814-E918 PolarHBondContact OE2-N 3.07Å; E814-I920 HydrophobicContact CB-CG2 4.44Å; E814-I920 HydrophobicContact CG-CG2 3.5Å; E814-I920 VanDerWaalsContact CG-CG2 3.5Å
815	M	97.4	Very high	93.8	Very high	91 Å²	91	60.9 Å²	60.9	45%	0.448	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-38	175.2	-72.5	-177.9	174	0	0	112.2	T813 A817 S915 N917	T813-M815 VanDerWaalsContact C-N 3.32Å; T813-M815 PolarHBondContact O-N 2.03Å; M815-A817 PolarHBondContact O-N 2.88Å; M815-S915 WeakPolarHBondContact CE-O 3.47Å; M815-N917 WeakPolarHBondContact CB-OD1 3.46Å; M815-N917 HydrophobicContact CE-CB 4.01Å; M815-N917 HydrophobicContact CG-CB 3.82Å; M815-N917 VanDerWaalsContact CG-CG 3.49Å; M815-N917 WeakPolarHBondContact CG-OD1 3.49Å; M815-N917 PolarHBondContact N-OD1 3.32Å; M815-N917 HydrophobicContact SD-CB 3.87Å
816	E	97.5	Very high	93.8	Very high	109 Å²	109	57.9 Å²	57.9	51%	0.509	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-23.5	175.2	-65	178.9	172.1	0	0	111.6	P811 K812 T813 E814 F819	P811-E816 WeakPolarHBondContact CA-OE2 3.43Å; P811-E816 HydrophobicContact CB-CB 3.99Å; K812-E816 PolarHBondContact N-OE2 3.42Å; T813-E816 WeakPolarHBondContact O-CB 3.46Å; T813-E816 PolarHBondContact O-N 2.89Å; T813-E816 VanDerWaalsContact O-N 3.15Å; E814-E816 VanDerWaalsContact C-N 3.33Å; E814-E816 PolarHBondContact O-N 2.79Å; E816-F819 WeakPolarHBondContact O-CE1 3.46Å
817	A	97.8	Very high	93.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	27.8	-177.8	0	0	0	0	0	115.3	P811 T813 E814 M815 F819 Y883 V884 I920	P811-A817 HydrophobicContact CB-CB 4.46Å; T813-A817 PolarHBondContact O-N 3.23Å; E814-A817 CarbonylContact O-C 3.57Å; E814-A817 PolarHBondContact O-N 3.33Å; E814-A817 VanDerWaalsContact O-N 3.11Å; M815-A817 PolarHBondContact O-N 2.88Å; A817-F819 VanDerWaalsContact CA-CE2 3.45Å; A817-F819 HydrophobicContact CB-CE2 3.75Å; A817-F819 HydrophobicContact CB-CZ 4.02Å; A817-F819 WeakPolarHBondContact O-CD2 3.31Å; A817-Y883 WeakPolarHBondContact O-CA 3.45Å; A817-V884 HydrophobicContact CB-CB 3.79Å; A817-V884 HydrophobicContact CB-CG2 4.22Å; A817-V884 PolarHBondContact O-N 3.34Å; A817-V884 VanDerWaalsContact O-N 3.15Å; A817-I920 HydrophobicContact CB-CD1 3.35Å
818	R	97.1	Very high	93.9	Very high	76 Å²	76	60.4 Å²	60.4	29%	0.287	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	94.4	167.5	-57.8	-176.5	-167.3	155.8	3	109.9	E814 Y883 S914	E814-R818 WeakPolarHBondContact O-CG 3.24Å; R818-Y883 HydrophobicContact CB-CD1 4.37Å; R818-Y883 HydrophobicContact CB-CE1 4.46Å; R818-Y883 HydrophobicContact CG-CD1 3.82Å; R818-Y883 HydrophobicContact CG-CE1 4.05Å; R818-S914 PolarHBondContact NE-OG 3.45Å; R818-S914 VanDerWaalsContact NH2-C 3.35Å; R818-S914 PolarHBondContact NH2-O 2.9Å; R818-S914 PolarHBondContact NH2-OG 3.25Å
819	F	96.1	Very high	94	Very high	18 Å²	18	59.9 Å²	59.9	8%	0.079	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	116.6	-168.9	-59.8	-68	0	0	0	113	I769 V771 P811 E816 A817 Y829 Q881 L882 V884	I769-F819 HydrophobicContact CD1-CE2 3.65Å; I769-F819 HydrophobicContact CD1-CZ 4.17Å; V771-F819 HydrophobicContact CG2-CE1 3.74Å; V771-F819 HydrophobicContact CG2-CZ 3.65Å; P811-F819 HydrophobicContact CG-CE1 4.43Å; P811-F819 HydrophobicContact CG-CZ 3.83Å; E816-F819 WeakPolarHBondContact O-CE1 3.46Å; A817-F819 VanDerWaalsContact CA-CE2 3.45Å; A817-F819 HydrophobicContact CB-CE2 3.75Å; A817-F819 HydrophobicContact CB-CZ 4.02Å; A817-F819 WeakPolarHBondContact O-CD2 3.31Å; F819-Y829 HydrophobicContact CB-CE1 3.96Å; F819-Y829 WeakPolarHBondContact CB-OH 3.05Å; F819-Y829 AromaticContact CD1-CE1 3.54Å; F819-Y829 HydrophobicContact CD1-CE1 3.54Å; F819-Y829 HydrophobicContact CD2-CD1 4.1Å; F819-Y829 AromaticContact CD2-CE1 3.71Å; F819-Y829 HydrophobicContact CD2-CE1 3.71Å; F819-Y829 AromaticContact CE1-CE1 3.89Å; F819-Y829 HydrophobicContact CE1-CE1 3.89Å; F819-Y829 HydrophobicContact CE2-CD1 4.14Å; F819-Y829 HydrophobicContact CE2-CE1 4.04Å; F819-Y829 HydrophobicContact CG-CD1 4.27Å; F819-Y829 AromaticContact CG-CE1 3.42Å; F819-Y829 HydrophobicContact CG-CE1 3.42Å; F819-Y829 VanDerWaalsContact CG-CE1 3.42Å; F819-Y829 AromaticContact CG-CZ 3.79Å; F819-Y829 HydrophobicContact CZ-CD1 4.35Å; F819-Y829 HydrophobicContact CZ-CE1 4.11Å; F819-Q881 PolarHBondContact O-N 3.34Å; F819-L882 HydrophobicContact CB-CB 4.26Å; F819-L882 HydrophobicContact CD2-CB 4.32Å; F819-L882 HydrophobicContact CD2-CD2 3.7Å; F819-L882 HydrophobicContact CD2-CG 3.9Å; F819-L882 HydrophobicContact CE2-CD2 4.27Å; F819-L882 PolarHBondContact N-O 3.03Å; F819-L882 PolarHBondContact O-N 3.2Å; F819-V884 HydrophobicContact CE2-CG2 4.33Å
820	S	91.9	Very high	94.2	Very high	31 Å²	31	57.3 Å²	57.3	22%	0.217	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-90.7	136.3	159.2	-62.6	0	0	0	0	111.4	K827 H880	S820-K827 PolarHBondContact O-NZ 2.85Å; S820-H880 PolarHBondContact OG-ND1 3.48Å
821	T	84.3	Confident	94.3	Very high	48 Å²	48	56.8 Å²	56.8	29%	0.294	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-73.4	134	168.7	-62.1	0	0	0	0	109.8	Q862	T821-Q862 VanDerWaalsContact CG2-OE1 3.24Å; T821-Q862 PolarHBondContact OG1-NE2 3.3Å; T821-Q862 PolarHBondContact OG1-OE1 3.27Å
822	K	88.4	Confident	94.3	Very high	123 Å²	123	56.4 Å²	56.4	54%	0.535	27%	0.269	S	S	.	.			trans	-127.6	122.4	170.1	-64.9	-176	-178.5	179.6	0	106.6	E824 F825	K822-E824 PolarHBondContact O-N 3.17Å; K822-F825 HydrophobicContact CB-CB 4.5Å; K822-F825 HydrophobicContact CB-CD2 3.81Å; K822-F825 HydrophobicContact CD-CD2 3.8Å; K822-F825 HydrophobicContact CD-CE2 4.17Å; K822-F825 HydrophobicContact CG-CD2 4.47Å; K822-F825 PolarHBondContact O-N 3.45Å; K822-F825 VanDerWaalsContact O-N 3.11Å
823	F	86.5	Confident	94.2	Very high	193 Å²	193	53.5 Å²	53.5	85%	0.846	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-34.2	-175.3	173.8	-97.2	0	0	0	111.5	F825	F823-F825 PolarHBondContact O-N 2.66Å
824	E	88.2	Confident	93.7	Very high	99 Å²	99	52.5 Å²	52.5	46%	0.463	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-18.3	-178.9	-57.1	82.7	-177.4	0	0	113.5	I783 K822 P826	I783-E824 HydrophobicContact CG2-CB 3.77Å; I783-E824 HydrophobicContact CG2-CG 4.19Å; K822-E824 PolarHBondContact O-N 3.17Å; E824-P826 WeakPolarHBondContact O-CD 3.35Å
825	F	91.1	Very high	92.6	Very high	47 Å²	47	57 Å²	57	21%	0.206	28%	0.275	C	S	.	.	S	Bend	trans	-128.7	78.8	-173	-56	-66	0	0	0	111.1	E780 I783 K822 F823 K827	E780-F825 HydrophobicContact CB-CE1 3.87Å; E780-F825 HydrophobicContact CB-CZ 4.32Å; E780-F825 HydrophobicContact CG-CD1 4.32Å; E780-F825 HydrophobicContact CG-CE1 3.71Å; I783-F825 HydrophobicContact CD1-CE1 4.17Å; K822-F825 HydrophobicContact CB-CB 4.5Å; K822-F825 HydrophobicContact CB-CD2 3.81Å; K822-F825 HydrophobicContact CD-CD2 3.8Å; K822-F825 HydrophobicContact CD-CE2 4.17Å; K822-F825 HydrophobicContact CG-CD2 4.47Å; K822-F825 PolarHBondContact O-N 3.45Å; K822-F825 VanDerWaalsContact O-N 3.11Å; F823-F825 PolarHBondContact O-N 2.66Å; F825-K827 PolarHBondContact O-N 2.8Å
826	P	93	Very high	90.8	Very high	71 Å²	71	57.4 Å²	57.4	46%	0.461	29%	0.287	S	S	.	.			trans	-61.7	133.5	-178	22.5	-31.7	0	0	0	112.1	I774 E824	I774-P826 HydrophobicContact CB-CB 4.34Å; I774-P826 HydrophobicContact CB-CG 4.06Å; I774-P826 PolarHBondContact N-O 3.16Å; E824-P826 WeakPolarHBondContact O-CD 3.35Å
827	K	94.7	Very high	88.9	Confident	62 Å²	62	58.4 Å²	58.4	27%	0.27	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	156.6	-178.2	55	-175.6	161.3	162.2	0	112.3	V771 V772 S820 F825 Y829	V771-K827 HydrophobicContact CG1-CB 4.26Å; V771-K827 HydrophobicContact CG1-CD 4.18Å; V772-K827 CarbonylContact O-C 3.58Å; V772-K827 WeakPolarHBondContact O-CA 3.42Å; V772-K827 WeakPolarHBondContact O-CB 3.39Å; S820-K827 PolarHBondContact O-NZ 2.85Å; F825-K827 PolarHBondContact O-N 2.8Å; K827-Y829 HydrophobicContact CD-CE1 4.15Å; K827-Y829 VanDerWaalsContact CD-OH 3.26Å; K827-Y829 WeakPolarHBondContact CD-OH 3.42Å; K827-Y829 WeakPolarHBondContact CE-OH 3.43Å; K827-Y829 PolarHBondContact NZ-OH 2.92Å
828	Q	95.5	Very high	86.8	Confident	97 Å²	97	60.4 Å²	60.4	45%	0.453	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	148.1	171.4	-63.5	-178.2	-8	0	0	110.3	V771 V772	V771-Q828 WeakPolarHBondContact CA-O 3.35Å; V772-Q828 HydrophobicContact CB-CB 4.35Å; V772-Q828 PolarHBondContact N-O 3Å; V772-Q828 PolarHBondContact O-N 3.43Å
829	Y	97.6	Very high	84.6	Confident	10 Å²	10	64.6 Å²	64.6	4%	0.039	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128	176.8	-53	-76.8	0	0	0	109.4	I769 V771 F819 K827 I857 L882	I769-Y829 HydrophobicContact CD1-CD1 4.16Å; V771-Y829 HydrophobicContact CG1-CD1 4.29Å; V771-Y829 HydrophobicContact CG1-CE1 4.05Å; V771-Y829 HydrophobicContact CG2-CD1 4.04Å; V771-Y829 HydrophobicContact CG2-CE1 4.2Å; F819-Y829 HydrophobicContact CB-CE1 3.96Å; F819-Y829 WeakPolarHBondContact CB-OH 3.05Å; F819-Y829 AromaticContact CD1-CE1 3.54Å; F819-Y829 HydrophobicContact CD1-CE1 3.54Å; F819-Y829 HydrophobicContact CD2-CD1 4.1Å; F819-Y829 AromaticContact CD2-CE1 3.71Å; F819-Y829 HydrophobicContact CD2-CE1 3.71Å; F819-Y829 AromaticContact CE1-CE1 3.89Å; F819-Y829 HydrophobicContact CE1-CE1 3.89Å; F819-Y829 HydrophobicContact CE2-CD1 4.14Å; F819-Y829 HydrophobicContact CE2-CE1 4.04Å; F819-Y829 HydrophobicContact CG-CD1 4.27Å; F819-Y829 AromaticContact CG-CE1 3.42Å; F819-Y829 HydrophobicContact CG-CE1 3.42Å; F819-Y829 VanDerWaalsContact CG-CE1 3.42Å; F819-Y829 AromaticContact CG-CZ 3.79Å; F819-Y829 HydrophobicContact CZ-CD1 4.35Å; F819-Y829 HydrophobicContact CZ-CE1 4.11Å; K827-Y829 HydrophobicContact CD-CE1 4.15Å; K827-Y829 VanDerWaalsContact CD-OH 3.26Å; K827-Y829 WeakPolarHBondContact CD-OH 3.42Å; K827-Y829 WeakPolarHBondContact CE-OH 3.43Å; K827-Y829 PolarHBondContact NZ-OH 2.92Å; Y829-I857 PolarHBondContact O-N 3.25Å; Y829-L882 HydrophobicContact CD1-CD2 4.1Å; Y829-L882 HydrophobicContact CD2-CD2 3.97Å; Y829-L882 HydrophobicContact CE2-CD2 4.39Å; Y829-L882 HydrophobicContact CG-CD2 3.8Å
830	L	97.6	Very high	82.5	Confident	7 Å²	7	65.7 Å²	65.7	4%	0.037	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	124.8	177.7	-50.2	177.6	0	0	0	109	I769 K770 V772 C854 L855 V856 H959	I769-L830 CarbonylContact C-O 3.22Å; I769-L830 WeakPolarHBondContact CA-O 3.34Å; K770-L830 HydrophobicContact CB-CB 4.21Å; K770-L830 PolarHBondContact N-O 2.91Å; K770-L830 PolarHBondContact O-N 2.86Å; V772-L830 HydrophobicContact CG2-CD1 3.73Å; V772-L830 HydrophobicContact CG2-CG 4.17Å; L830-C854 HydrophobicContact CB-CB 4.02Å; L830-L855 CarbonylContact C-O 3.55Å; L830-L855 VanDerWaalsContact CA-O 3.32Å; L830-L855 WeakPolarHBondContact CA-O 3.43Å; L830-V856 HydrophobicContact CD2-CB 3.94Å; L830-V856 HydrophobicContact CD2-CG1 3.92Å; L830-V856 HydrophobicContact CD2-CG2 3.57Å; L830-H959 HydrophobicContact CD2-CB 4.45Å
831	I	97.7	Very high	80.3	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.005	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	117.3	167.7	-54.8	-56.5	0	0	0	108	I760 N767 I769 C854 L855 I857 L927	I760-I831 HydrophobicContact CB-CG2 4.33Å; I760-I831 HydrophobicContact CG2-CG2 3.82Å; N767-I831 HydrophobicContact CB-CG2 4.02Å; I769-I831 HydrophobicContact CB-CD1 3.76Å; I769-I831 HydrophobicContact CD1-CD1 3.87Å; I769-I831 HydrophobicContact CG1-CD1 3.89Å; I831-C854 CarbonylContact O-C 3.58Å; I831-C854 WeakPolarHBondContact O-CA 3.4Å; I831-C854 VanDerWaalsContact O-CB 3.32Å; I831-C854 WeakPolarHBondContact O-CB 3.12Å; I831-L855 PolarHBondContact N-O 3.3Å; I831-L855 PolarHBondContact O-N 3.12Å; I831-I857 HydrophobicContact CD1-CD1 4.28Å; I831-I857 HydrophobicContact CG1-CD1 3.96Å; I831-L927 HydrophobicContact CD1-CD2 3.57Å; I831-L927 HydrophobicContact CG1-CD1 4Å; I831-L927 HydrophobicContact CG1-CD2 3.76Å; I831-L927 HydrophobicContact CG1-CG 4.4Å
832	C	95.8	Very high	78.7	Confident	0 Å²	0	74 Å²	74	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	137.2	-170	-59.1	0	0	0	0	110.8	N767 F768 D852 K853 C854	N767-C832 CarbonylContact C-O 3.49Å; N767-C832 VanDerWaalsContact CA-O 3.26Å; N767-C832 WeakPolarHBondContact CA-O 3.48Å; F768-C832 HydrophobicContact CD1-CB 4.1Å; F768-C832 WeakPolarHBondContact CD1-O 3.31Å; F768-C832 HydrophobicContact CD2-CB 4.35Å; F768-C832 HydrophobicContact CE1-CB 3.59Å; F768-C832 HydrophobicContact CE2-CB 3.89Å; F768-C832 HydrophobicContact CG-CB 4.46Å; F768-C832 HydrophobicContact CZ-CB 3.48Å; F768-C832 VanDerWaalsContact CZ-CB 3.48Å; F768-C832 PolarHBondContact N-O 2.79Å; F768-C832 PolarHBondContact O-N 3.15Å; C832-D852 HydrophobicContact CB-CB 4.17Å; C832-K853 CarbonylContact C-O 3.51Å; C832-K853 WeakPolarHBondContact CA-O 3.48Å; C832-C854 HydrophobicContact CB-CB 3.98Å; C832-C854 WeakPolarHBondContact CB-SG 3.28Å; C832-C854 WeakPolarHBondContact SG-CB 3.43Å; C832-C854 CovalentContact SG-SG 2.04Å; C832-C854 PolarHBondContact SG-SG 3.49Å
833	S	94.1	Very high	77.2	Confident	10 Å²	10	74 Å²	74	7%	0.07	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	139.5	172.1	178.1	0	0	0	0	110.3	I762 N764 K853	I762-S833 WeakPolarHBondContact O-CB 3.46Å; I762-S833 PolarHBondContact O-OG 2.9Å; N764-S833 PolarHBondContact OD1-OG 2.98Å; S833-K853 PolarHBondContact N-O 3.38Å
834	T	87.7	Confident	75.9	Confident	9 Å²	9	72.7 Å²	72.7	6%	0.055	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-84.3	123.2	174.3	-47.3	0	0	0	0	110.2	N764 E766 M838 N922	N764-T834 PolarHBondContact ND2-O 3.44Å; E766-T834 WeakPolarHBondContact O-CB 3.43Å; E766-T834 PolarHBondContact O-N 3.39Å; E766-T834 PolarHBondContact O-OG1 2.82Å; T834-M838 HydrophobicContact CG2-CG 4.19Å; T834-N922 WeakPolarHBondContact CB-OD1 3.36Å; T834-N922 HydrophobicContact CG2-CB 4.09Å; T834-N922 WeakPolarHBondContact CG2-OD1 3.34Å; T834-N922 PolarHBondContact OG1-OD1 3.05Å
835	N	75.2	Confident	74.6	Confident	94 Å²	94	72.2 Å²	72.2	50%	0.503	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-76.6	129.6	174.4	-169.8	-19.8	0	0	0	110	N837 M838	N835-N837 PolarHBondContact O-N 3.03Å; N835-N837 PolarHBondContact OD1-N 2.92Å; N835-M838 WeakPolarHBondContact O-CB 3.27Å; N835-M838 VanDerWaalsContact O-CG 3.25Å; N835-M838 WeakPolarHBondContact O-CG 3.5Å; N835-M838 PolarHBondContact O-N 2.95Å
836	S	59.4	Low	73.4	Confident	101 Å²	101	72 Å²	72	71%	0.706	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-57.2	-22.1	178.1	53.1	0	0	0	0	113.8	M838	S836-M838 PolarHBondContact O-N 2.94Å
837	N	57.2	Low	72.2	Confident	130 Å²	130	70.7 Å²	70.7	70%	0.695	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-79.6	8.6	176.5	-72.5	-12.1	0	0	0	114.8	N835 N839	N835-N837 PolarHBondContact O-N 3.03Å; N835-N837 PolarHBondContact OD1-N 2.92Å; N837-N839 PolarHBondContact O-N 2.85Å
838	M	54	Low	71	Confident	41 Å²	41	71.3 Å²	71.3	20%	0.202	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-68.2	-6	178.1	-81.9	-71.2	-150.9	0	0	115.1	T834 N835 S836 G840 Q847 R850	T834-M838 HydrophobicContact CG2-CG 4.19Å; N835-M838 WeakPolarHBondContact O-CB 3.27Å; N835-M838 VanDerWaalsContact O-CG 3.25Å; N835-M838 WeakPolarHBondContact O-CG 3.5Å; N835-M838 PolarHBondContact O-N 2.95Å; S836-M838 PolarHBondContact O-N 2.94Å; M838-G840 PolarHBondContact O-N 3.19Å; M838-Q847 HydrophobicContact CE-CG 4.32Å; M838-R850 PolarHBondContact SD-NH1 3.28Å
839	N	51.2	Low	70	Confident	165 Å²	165	73.5 Å²	73.5	88%	0.882	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-72.9	-2.6	-179.2	-72.4	-11.1	0	0	0	114.9	N837	N837-N839 PolarHBondContact O-N 2.85Å
840	G	50.6	Low	69.1	Low	40 Å²	40	76.4 Å²	76.4	41%	0.412	41%	0.409	S	S	.	.	S	Bend	trans	-79.3	141	173.4	0	0	0	0	0	112.3	M838 F842	M838-G840 PolarHBondContact O-N 3.19Å; G840-F842 WeakPolarHBondContact O-CD2 3.49Å; G840-F842 PolarHBondContact O-N 2.84Å
841	S	46.8	Very low	68.5	Low	136 Å²	136	81.9 Å²	81.9	95%	0.951	44%	0.438	S	S	*	.			trans	-56.9	85.2	166.4	178.4	0	0	0	0	110.1
842	F	50.8	Low	68.2	Low	117 Å²	117	82.7 Å²	82.7	51%	0.513	44%	0.443	S	S	.	.			trans	-98.4	133.3	173.3	-83.3	-77.3	0	0	0	109.1	G840 K844 R850	G840-F842 WeakPolarHBondContact O-CD2 3.49Å; G840-F842 PolarHBondContact O-N 2.84Å; F842-K844 PolarHBondContact O-N 3.22Å; F842-R850 VanDerWaalsContact CD2-NH2 3.34Å; F842-R850 VanDerWaalsContact CE1-NH2 3.3Å
843	N	55.9	Low	68	Low	124 Å²	124	85.3 Å²	85.3	66%	0.663	45%	0.454	S	S	*	.			trans	-51.8	125	177.5	-149.1	-6.3	0	0	0	109.2	T845 S846	N843-T845 PolarHBondContact O-N 3.16Å; N843-S846 WeakPolarHBondContact O-CB 3.45Å; N843-S846 PolarHBondContact O-N 2.89Å; N843-S846 PolarHBondContact O-OG 3.42Å
844	K	59.8	Low	68.1	Low	165 Å²	165	84.9 Å²	84.9	72%	0.717	45%	0.451	S	S	*	.	H	α-helix	trans	-47.3	-38.7	-172.6	-80.4	-179.4	176.8	178.1	0	112.6	F842 S846 Q847 Y848	F842-K844 PolarHBondContact O-N 3.22Å; K844-S846 PolarHBondContact O-N 2.93Å; K844-Q847 WeakPolarHBondContact O-CB 3.49Å; K844-Q847 PolarHBondContact O-N 2.75Å; K844-Y848 WeakPolarHBondContact O-CD2 3.34Å; K844-Y848 WeakPolarHBondContact O-CE2 3.3Å
845	T	61.8	Low	68.6	Low	90 Å²	90	84.6 Å²	84.6	55%	0.552	45%	0.449	S	S	*	.	H	α-helix	trans	-59.8	-39.4	177.7	43.2	0	0	0	0	113.7	N843 Q847 Y848	N843-T845 PolarHBondContact O-N 3.16Å; T845-Q847 VanDerWaalsContact C-N 3.28Å; T845-Q847 PolarHBondContact O-N 2.88Å; T845-Y848 PolarHBondContact O-N 3.29Å
846	S	65.1	Low	69.7	Low	43 Å²	43	80.7 Å²	80.7	30%	0.301	43%	0.429	S	S	.	.	H	α-helix	trans	-66.9	-28.8	-179.7	71	0	0	0	0	112.8	N843 K844 Y848 R850	N843-S846 WeakPolarHBondContact O-CB 3.45Å; N843-S846 PolarHBondContact O-N 2.89Å; N843-S846 PolarHBondContact O-OG 3.42Å; K844-S846 PolarHBondContact O-N 2.93Å; S846-Y848 PolarHBondContact O-N 2.84Å; S846-R850 VanDerWaalsContact O-CG 3.29Å; S846-R850 WeakPolarHBondContact O-CG 3.47Å
847	Q	67.6	Low	71.5	Confident	42 Å²	42	76.4 Å²	76.4	20%	0.196	40%	0.398	C	S	.	.	H	α-helix	trans	-65.9	-38.2	-179.1	-175.6	179	0.2	0	0	112.2	I810 M838 K844 T845	I810-Q847 HydrophobicContact CD1-CG 4.42Å; M838-Q847 HydrophobicContact CE-CG 4.32Å; K844-Q847 WeakPolarHBondContact O-CB 3.49Å; K844-Q847 PolarHBondContact O-N 2.75Å; T845-Q847 VanDerWaalsContact C-N 3.28Å; T845-Q847 PolarHBondContact O-N 2.88Å
848	Y	69.9	Low	73.4	Confident	76 Å²	76	72.7 Å²	72.7	30%	0.298	38%	0.38	S	S	.	.	H	α-helix	trans	-65.9	-45	-176.9	-71.6	-84.8	0	0	0	112	K770 I808 I810 K844 T845 S846	K770-Y848 PolarHBondContact NZ-O 3.04Å; I808-Y848 HydrophobicContact CB-CD1 4.36Å; I808-Y848 WeakPolarHBondContact CD1-O 3.49Å; I808-Y848 HydrophobicContact CG2-CD1 4.18Å; I808-Y848 WeakPolarHBondContact O-CD1 3.33Å; I810-Y848 HydrophobicContact CB-CE1 4.16Å; I810-Y848 HydrophobicContact CD1-CD1 3.75Å; I810-Y848 HydrophobicContact CD1-CE1 3.86Å; I810-Y848 HydrophobicContact CD1-CG 4.39Å; I810-Y848 HydrophobicContact CG1-CD1 3.82Å; I810-Y848 HydrophobicContact CG1-CE1 3.76Å; K844-Y848 WeakPolarHBondContact O-CD2 3.34Å; K844-Y848 WeakPolarHBondContact O-CE2 3.3Å; T845-Y848 PolarHBondContact O-N 3.29Å; S846-Y848 PolarHBondContact O-N 2.84Å
849	Y	74.1	Confident	75.5	Confident	143 Å²	143	71.3 Å²	71.3	56%	0.561	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	18.1	-170.4	-60.7	-81	0	0	0	114.9	L806 I808	L806-Y849 HydrophobicContact CD1-CD1 4.47Å; L806-Y849 HydrophobicContact CD1-CE1 3.97Å; I808-Y849 HydrophobicContact CD1-CD1 3.9Å; I808-Y849 HydrophobicContact CD1-CE1 4.2Å; I808-Y849 HydrophobicContact CG1-CE1 4.38Å
850	R	78	Confident	77.6	Confident	70 Å²	70	69.9 Å²	69.9	26%	0.264	36%	0.359	S	S	.	.			trans	-72.1	144	172.9	-84.6	164.6	-173.5	-161	-3.4	112.4	K770 M838 F842 S846 D852	K770-R850 PolarHBondContact NZ-O 3.2Å; M838-R850 PolarHBondContact SD-NH1 3.28Å; F842-R850 VanDerWaalsContact CD2-NH2 3.34Å; F842-R850 VanDerWaalsContact CE1-NH2 3.3Å; S846-R850 VanDerWaalsContact O-CG 3.29Å; S846-R850 WeakPolarHBondContact O-CG 3.47Å; R850-D852 WeakPolarHBondContact CB-OD1 3.47Å; R850-D852 PolarHBondContact O-N 2.83Å
851	N	85.8	Confident	79.8	Confident	122 Å²	122	68.1 Å²	68.1	65%	0.652	34%	0.341	S	S	*	.			trans	-75.8	64.7	166	-67.2	-16.3	0	0	0	110	N960	N851-N960 HydrophobicContact CB-CB 4.4Å
852	D	90.5	Very high	82	Confident	19 Å²	19	65.2 Å²	65.2	10%	0.102	31%	0.312	C	S	.	.			trans	-68.5	153.8	176.4	-60.7	-50.9	0	0	0	110.5	F768 K770 C832 R850 C854 N960	F768-D852 HydrophobicContact CZ-CB 4.4Å; K770-D852 WeakPolarHBondContact CE-OD2 3.49Å; K770-D852 IonicContact NZ-OD2 2.77Å; K770-D852 PolarHBondContact NZ-OD2 2.88Å; C832-D852 HydrophobicContact CB-CB 4.17Å; R850-D852 WeakPolarHBondContact CB-OD1 3.47Å; R850-D852 PolarHBondContact O-N 2.83Å; D852-C854 PolarHBondContact O-N 2.81Å; D852-C854 PolarHBondContact O-SG 2.51Å; D852-N960 WeakPolarHBondContact O-CB 2.99Å
853	K	93.5	Very high	84	Confident	54 Å²	54	61 Å²	61	24%	0.235	30%	0.296	C	S	.	.			trans	-73.8	108.7	176.2	-65.6	178.2	-177.1	-170.1	0	108.9	V763 C832 S833 L961 L1000	V763-K853 HydrophobicContact CG2-CD 4.3Å; C832-K853 CarbonylContact C-O 3.51Å; C832-K853 WeakPolarHBondContact CA-O 3.48Å; S833-K853 PolarHBondContact N-O 3.38Å; K853-L961 HydrophobicContact CB-CD1 3.97Å; K853-L961 HydrophobicContact CD-CD1 4.24Å; K853-L961 HydrophobicContact CG-CD1 4.27Å; K853-L1000 WeakPolarHBondContact CE-O 3.49Å; K853-L1000 PolarHBondContact NZ-O 3.44Å
854	C	95.7	Very high	85.7	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.014	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	167.7	-173.5	-43.9	0	0	0	0	113.6	I762 L830 I831 C832 D852 H959	I762-C854 VanDerWaalsContact CD1-C 3.47Å; L830-C854 HydrophobicContact CB-CB 4.02Å; I831-C854 CarbonylContact O-C 3.58Å; I831-C854 WeakPolarHBondContact O-CA 3.4Å; I831-C854 VanDerWaalsContact O-CB 3.32Å; I831-C854 WeakPolarHBondContact O-CB 3.12Å; C832-C854 HydrophobicContact CB-CB 3.98Å; C832-C854 WeakPolarHBondContact CB-SG 3.28Å; C832-C854 WeakPolarHBondContact SG-CB 3.43Å; C832-C854 CovalentContact SG-SG 2.04Å; C832-C854 PolarHBondContact SG-SG 3.49Å; D852-C854 PolarHBondContact O-N 2.81Å; D852-C854 PolarHBondContact O-SG 2.51Å; C854-H959 HydrophobicContact CB-CB 4.19Å; C854-H959 PolarHBondContact N-O 2.66Å; C854-H959 PolarHBondContact O-N 2.8Å; C854-H959 VanDerWaalsContact O-O 3.08Å
855	L	97.7	Very high	87.3	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	128.1	162.6	-61	173.7	0	0	0	109.2	L569 I760 I762 L830 I831 I956 M957	L569-L855 HydrophobicContact CD2-CD2 4.29Å; I760-L855 HydrophobicContact CD1-CD1 4.05Å; I760-L855 HydrophobicContact CG2-CD1 4.07Å; I762-L855 HydrophobicContact CB-CD1 4.11Å; I762-L855 HydrophobicContact CB-CG 4.33Å; I762-L855 HydrophobicContact CD1-CD1 4.34Å; I762-L855 HydrophobicContact CD1-CD2 3.99Å; I762-L855 HydrophobicContact CD1-CG 3.64Å; I762-L855 HydrophobicContact CG1-CG 4.44Å; L830-L855 CarbonylContact C-O 3.55Å; L830-L855 VanDerWaalsContact CA-O 3.32Å; L830-L855 WeakPolarHBondContact CA-O 3.43Å; I831-L855 PolarHBondContact N-O 3.3Å; I831-L855 PolarHBondContact O-N 3.12Å; L855-I956 HydrophobicContact CB-CG2 3.93Å; L855-I956 HydrophobicContact CD1-CG2 3.72Å; L855-I956 HydrophobicContact CD2-CG2 4.31Å; L855-I956 HydrophobicContact CG-CG2 4.18Å; L855-M957 CarbonylContact C-O 3.55Å; L855-M957 VanDerWaalsContact CA-O 3.22Å; L855-M957 WeakPolarHBondContact CA-O 3.49Å
856	V	97.9	Very high	88.7	Confident	13 Å²	13	55.9 Å²	55.9	8%	0.079	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	138.2	168.2	-163.6	0	0	0	0	109.6	L830 V858 I956 M957 H959	L830-V856 HydrophobicContact CD2-CB 3.94Å; L830-V856 HydrophobicContact CD2-CG1 3.92Å; L830-V856 HydrophobicContact CD2-CG2 3.57Å; V856-V858 HydrophobicContact CG1-CG2 4.05Å; V856-I956 WeakPolarHBondContact O-CA 3.34Å; V856-M957 HydrophobicContact CB-CB 4.27Å; V856-M957 PolarHBondContact N-O 3.39Å; V856-M957 PolarHBondContact O-N 3.22Å; V856-H959 HydrophobicContact CG2-CB 3.58Å
857	I	98.1	Very high	90	Very high	11 Å²	11	55.6 Å²	55.6	6%	0.056	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	120.1	168.5	-51.5	164.8	0	0	0	108.8	Y829 I831 L882 L927 L929 I956	Y829-I857 PolarHBondContact O-N 3.25Å; I831-I857 HydrophobicContact CD1-CD1 4.28Å; I831-I857 HydrophobicContact CG1-CD1 3.96Å; I857-L882 HydrophobicContact CD1-CD1 4.39Å; I857-L882 HydrophobicContact CD1-CD2 3.99Å; I857-L927 HydrophobicContact CD1-CD1 3.54Å; I857-L927 HydrophobicContact CD1-CD2 4.16Å; I857-L927 HydrophobicContact CD1-CG 4.42Å; I857-L927 HydrophobicContact CG1-CD1 4.01Å; I857-L929 HydrophobicContact CG2-CD1 3.92Å; I857-L929 HydrophobicContact CG2-CD2 3.85Å; I857-I956 HydrophobicContact CG1-CD1 4.12Å; I857-I956 HydrophobicContact CG2-CD1 4.3Å
858	V	97.5	Very high	91.3	Very high	51 Å²	51	56.9 Å²	56.9	31%	0.309	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	105.9	170.9	-176.7	0	0	0	0	108.9	V856 K860 I954 F955 M957	V856-V858 HydrophobicContact CG1-CG2 4.05Å; V858-K860 HydrophobicContact CG1-CG 4.18Å; V858-I954 CarbonylContact O-C 3.4Å; V858-I954 WeakPolarHBondContact O-CA 3.25Å; V858-F955 HydrophobicContact CB-CB 4.13Å; V858-F955 PolarHBondContact N-O 3.18Å; V858-F955 PolarHBondContact O-N 2.92Å; V858-M957 HydrophobicContact CG2-SD 3.95Å
859	N	97.1	Very high	92.4	Very high	13 Å²	13	58 Å²	58	7%	0.07	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	111.1	175.9	176.6	-16	0	0	0	108.6	G861 Q862 T930 V931 I954	N859-G861 PolarHBondContact OD1-N 3.5Å; N859-Q862 HydrophobicContact CB-CG 3.67Å; N859-Q862 WeakPolarHBondContact O-CG 3.37Å; N859-Q862 WeakPolarHBondContact OD1-CG 3.41Å; N859-Q862 PolarHBondContact OD1-N 2.74Å; N859-T930 PolarHBondContact ND2-O 3.25Å; N859-V931 VanDerWaalsContact OD1-CG1 3.29Å; N859-V931 WeakPolarHBondContact OD1-CG1 3.26Å; N859-I954 HydrophobicContact CB-CG1 4.46Å
860	K	95.7	Very high	93.3	Very high	134 Å²	134	56.6 Å²	56.6	58%	0.583	28%	0.283	S	S	*	.	S	Bend	trans	-93.4	3.2	178.5	-62	-165.8	-175.7	165.9	0	113.8	V858 S953 F955	V858-K860 HydrophobicContact CG1-CG 4.18Å; K860-S953 PolarHBondContact N-O 2.7Å; K860-F955 HydrophobicContact CD-CD2 4.31Å; K860-F955 HydrophobicContact CD-CE2 3.62Å; K860-F955 HydrophobicContact CD-CZ 4.46Å; K860-F955 VanDerWaalsContact CE-CE2 3.42Å; K860-F955 HydrophobicContact CG-CD2 4.24Å; K860-F955 HydrophobicContact CG-CE2 3.98Å
861	G	95.9	Very high	94	Very high	3 Å²	3	56.1 Å²	56.1	3%	0.031	28%	0.281	C	S	.	.	S	Bend	trans	-114.1	26.4	175.2	0	0	0	0	0	112.7	N859 V863 V931 G932	N859-G861 PolarHBondContact OD1-N 3.5Å; G861-V863 PolarHBondContact O-N 2.89Å; G861-V931 CarbonylContact O-C 3.59Å; G861-V931 VanDerWaalsContact O-CA 3.24Å; G861-V931 WeakPolarHBondContact O-CA 3.43Å; G861-G932 PolarHBondContact O-N 2.91Å
862	Q	93.8	Very high	94.4	Very high	75 Å²	75	50.3 Å²	50.3	35%	0.35	25%	0.25	S	S	.	.			trans	-68.1	117.1	-176.5	-69.2	178.9	-16.6	0	0	111.2	T821 N859 Q881	T821-Q862 VanDerWaalsContact CG2-OE1 3.24Å; T821-Q862 PolarHBondContact OG1-NE2 3.3Å; T821-Q862 PolarHBondContact OG1-OE1 3.27Å; N859-Q862 HydrophobicContact CB-CG 3.67Å; N859-Q862 WeakPolarHBondContact O-CG 3.37Å; N859-Q862 WeakPolarHBondContact OD1-CG 3.41Å; N859-Q862 PolarHBondContact OD1-N 2.74Å; Q862-Q881 HydrophobicContact CB-CG 4.09Å; Q862-Q881 HydrophobicContact CG-CB 4.28Å; Q862-Q881 HydrophobicContact CG-CG 4.16Å
863	V	93.4	Very high	94.7	Very high	28 Å²	28	53.1 Å²	53.1	17%	0.17	26%	0.261	C	S	.	.			trans	-135.2	141.8	171.3	68.5	0	0	0	0	109.9	L753 G861 Q881 G932 Y934	L753-V863 HydrophobicContact CD2-CG1 3.77Å; G861-V863 PolarHBondContact O-N 2.89Å; V863-Q881 PolarHBondContact O-NE2 2.86Å; V863-G932 VanDerWaalsContact CG1-C 3.44Å; V863-G932 WeakPolarHBondContact CG1-O 3.29Å; V863-Y934 HydrophobicContact CG2-CD2 3.61Å; V863-Y934 HydrophobicContact CG2-CE2 3.46Å; V863-Y934 VanDerWaalsContact CG2-CE2 3.46Å
864	K	91.7	Very high	94.9	Very high	134 Å²	134	50.6 Å²	50.6	58%	0.583	25%	0.251	S	S	*	.			trans	-85.4	125.2	176.1	-177.3	178.4	179.4	-176.8	0	110.4	I866 Y934	K864-I866 PolarHBondContact O-N 2.9Å; K864-Y934 PolarHBondContact O-OH 3.35Å; K864-Y934 VanDerWaalsContact O-OH 3.08Å
865	T	92.2	Very high	94.9	Very high	11 Å²	11	50.5 Å²	50.5	7%	0.067	25%	0.25	C	S	.	.			trans	-67.1	125.3	166.4	-58.7	0	0	0	0	110.4	F867 T872 S878	T865-F867 HydrophobicContact CG2-CB 3.89Å; T865-F867 HydrophobicContact CG2-CD2 3.3Å; T865-F867 HydrophobicContact CG2-CE2 3.87Å; T865-F867 HydrophobicContact CG2-CG 3.83Å; T865-T872 HydrophobicContact CG2-CG2 4.16Å; T865-S878 WeakPolarHBondContact CB-O 3.39Å; T865-S878 PolarHBondContact OG1-O 3.46Å
866	I	91.9	Very high	94.9	Very high	128 Å²	128	50.5 Å²	50.5	66%	0.656	25%	0.25	S	S	*	.			trans	-99.3	9.6	177.4	68	-174.4	0	0	0	113.6	K864 Y934	K864-I866 PolarHBondContact O-N 2.9Å; I866-Y934 HydrophobicContact CD1-CE1 4.49Å; I866-Y934 WeakPolarHBondContact CG1-OH 3.32Å; I866-Y934 PolarHBondContact N-OH 3.48Å
867	F	92.5	Very high	94.9	Very high	37 Å²	37	49.9 Å²	49.9	16%	0.162	25%	0.246	C	C	.	.	S	Bend	trans	-77.1	159	175.3	-51.7	-39.5	0	0	0	112	W583 H751 T865 Y871 T872 F875	W583-F867 AromaticContact CH2-CE1 3.28Å; W583-F867 HydrophobicContact CH2-CE1 3.28Å; W583-F867 HydrophobicContact CH2-CE2 4.18Å; W583-F867 AromaticContact CH2-CZ 3.1Å; W583-F867 HydrophobicContact CH2-CZ 3.1Å; W583-F867 AromaticContact CZ2-CD1 3.97Å; W583-F867 HydrophobicContact CZ2-CD1 3.97Å; W583-F867 AromaticContact CZ2-CE1 3.04Å; W583-F867 HydrophobicContact CZ2-CE1 3.04Å; W583-F867 HydrophobicContact CZ2-CE2 4.46Å; W583-F867 AromaticContact CZ2-CZ 3.39Å; W583-F867 HydrophobicContact CZ2-CZ 3.39Å; W583-F867 HydrophobicContact CZ3-CE1 4.43Å; W583-F867 HydrophobicContact CZ3-CZ 4.22Å; H751-F867 HydrophobicContact CB-CZ 4.2Å; H751-F867 AromaticContact ND1-CE2 3.43Å; H751-F867 WeakPolarHBondContact ND1-CE2 3.43Å; H751-F867 AromaticContact ND1-CZ 3.47Å; H751-F867 WeakPolarHBondContact ND1-CZ 3.27Å; T865-F867 HydrophobicContact CG2-CB 3.89Å; T865-F867 HydrophobicContact CG2-CD2 3.3Å; T865-F867 HydrophobicContact CG2-CE2 3.87Å; T865-F867 HydrophobicContact CG2-CG 3.83Å; F867-Y871 HydrophobicContact CB-CD1 3.79Å; F867-Y871 HydrophobicContact CD1-CD1 4.42Å; F867-Y871 HydrophobicContact CD1-CE1 4.47Å; F867-Y871 HydrophobicContact CD2-CD1 4.09Å; F867-Y871 HydrophobicContact CD2-CE1 4.17Å; F867-Y871 AromaticContact CG-CD1 3.82Å; F867-Y871 HydrophobicContact CG-CD1 3.82Å; F867-Y871 HydrophobicContact CG-CE1 4.12Å; F867-T872 HydrophobicContact CB-CG2 3.58Å; F867-T872 HydrophobicContact CD2-CG2 4.13Å; F867-T872 HydrophobicContact CG-CG2 4.37Å; F867-F875 HydrophobicContact CD2-CE2 4.1Å; F867-F875 HydrophobicContact CD2-CZ 4.44Å
868	S	94.1	Very high	94.9	Very high	68 Å²	68	49.4 Å²	49.4	48%	0.476	24%	0.244	S	C	.	.			trans	-71.5	156	173.9	69	0	0	0	0	111.9	Q870 Y871 T872	S868-Q870 PolarHBondContact O-N 3.49Å; S868-Y871 PolarHBondContact O-N 2.95Å; S868-Y871 VanDerWaalsContact O-N 3.17Å; S868-Y871 WeakPolarHBondContact OG-CB 3.37Å; S868-Y871 PolarHBondContact OG-N 3.09Å; S868-T872 WeakPolarHBondContact O-CG2 3.31Å; S868-T872 PolarHBondContact O-N 3.36Å; S868-T872 PolarHBondContact O-OG1 3Å
869	D	94	Very high	94.8	Very high	99 Å²	99	49.3 Å²	49.3	53%	0.529	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-34.2	172.8	-80.6	19.8	0	0	0	112.1	Y871 T872 K873 R879	D869-Y871 VanDerWaalsContact C-N 3.3Å; D869-Y871 PolarHBondContact O-N 3.06Å; D869-T872 WeakPolarHBondContact CA-OG1 3.49Å; D869-T872 PolarHBondContact O-N 3.31Å; D869-T872 PolarHBondContact O-OG1 2.84Å; D869-K873 PolarHBondContact O-N 3.42Å; D869-R879 PolarHBondContact O-NH2 2.98Å; D869-R879 IonicContact OD1-CZ 2.84Å; D869-R879 IonicContact OD1-NE 3.16Å; D869-R879 PolarHBondContact OD1-NE 3.29Å; D869-R879 IonicContact OD2-CZ 2.66Å; D869-R879 IonicContact OD2-NH1 3.46Å; D869-R879 PolarHBondContact OD2-NH1 2.81Å
870	Q	91.9	Very high	94.8	Very high	115 Å²	115	50.9 Å²	50.9	54%	0.537	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-39.6	176.2	-177.7	175.5	2.4	0	0	112	S868 K873	S868-Q870 PolarHBondContact O-N 3.49Å; Q870-K873 WeakPolarHBondContact O-CG 3.47Å
871	Y	92.5	Very high	94.8	Very high	60 Å²	60	44.8 Å²	44.8	24%	0.235	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-35.9	-180	-173.9	-107.6	0	0	0	112.6	S581 T593 F867 S868 D869 K873 F875	S581-Y871 PolarHBondContact OG-OH 3.38Å; T593-Y871 WeakPolarHBondContact CB-OH 3.36Å; T593-Y871 HydrophobicContact CG2-CE1 4.48Å; T593-Y871 PolarHBondContact OG1-OH 3.33Å; F867-Y871 HydrophobicContact CB-CD1 3.79Å; F867-Y871 HydrophobicContact CD1-CD1 4.42Å; F867-Y871 HydrophobicContact CD1-CE1 4.47Å; F867-Y871 HydrophobicContact CD2-CD1 4.09Å; F867-Y871 HydrophobicContact CD2-CE1 4.17Å; F867-Y871 AromaticContact CG-CD1 3.82Å; F867-Y871 HydrophobicContact CG-CD1 3.82Å; F867-Y871 HydrophobicContact CG-CE1 4.12Å; S868-Y871 PolarHBondContact O-N 2.95Å; S868-Y871 VanDerWaalsContact O-N 3.17Å; S868-Y871 WeakPolarHBondContact OG-CB 3.37Å; S868-Y871 PolarHBondContact OG-N 3.09Å; D869-Y871 VanDerWaalsContact C-N 3.3Å; D869-Y871 PolarHBondContact O-N 3.06Å; Y871-K873 VanDerWaalsContact C-N 3.34Å; Y871-K873 PolarHBondContact O-N 3.18Å; Y871-F875 HydrophobicContact CD1-CE1 4.47Å; Y871-F875 AromaticContact CD1-CZ 3.74Å; Y871-F875 HydrophobicContact CD1-CZ 3.74Å; Y871-F875 AromaticContact CE1-CZ 3.8Å; Y871-F875 HydrophobicContact CE1-CZ 3.8Å; Y871-F875 VanDerWaalsContact O-CE1 3.27Å; Y871-F875 WeakPolarHBondContact O-CE1 3.4Å
872	T	95.7	Very high	94.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	8.7	-174.5	56.2	0	0	0	0	114.1	T865 F867 S868 D869 S874 F875 A876 R879	T865-T872 HydrophobicContact CG2-CG2 4.16Å; F867-T872 HydrophobicContact CB-CG2 3.58Å; F867-T872 HydrophobicContact CD2-CG2 4.13Å; F867-T872 HydrophobicContact CG-CG2 4.37Å; S868-T872 WeakPolarHBondContact O-CG2 3.31Å; S868-T872 PolarHBondContact O-N 3.36Å; S868-T872 PolarHBondContact O-OG1 3Å; D869-T872 WeakPolarHBondContact CA-OG1 3.49Å; D869-T872 PolarHBondContact O-N 3.31Å; D869-T872 PolarHBondContact O-OG1 2.84Å; T872-S874 VanDerWaalsContact C-N 3.31Å; T872-S874 PolarHBondContact O-N 3.4Å; T872-F875 HydrophobicContact CG2-CD2 4.2Å; T872-F875 HydrophobicContact CG2-CE2 3.58Å; T872-F875 HydrophobicContact CG2-CZ 3.88Å; T872-F875 CarbonylContact O-C 3.55Å; T872-F875 PolarHBondContact O-N 2.7Å; T872-A876 WeakPolarHBondContact O-CA 3.29Å; T872-A876 PolarHBondContact O-N 3.48Å; T872-R879 PolarHBondContact OG1-NE 3.31Å; T872-R879 PolarHBondContact OG1-NH2 3.32Å
873	K	96	Very high	95.1	Very high	77 Å²	77	41.7 Å²	41.7	34%	0.335	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-50.8	-48.3	-174.8	-74.7	179.1	-176.8	173.6	0	113	D869 Q870 Y871 F875 N904 P906	D869-K873 PolarHBondContact O-N 3.42Å; Q870-K873 WeakPolarHBondContact O-CG 3.47Å; Y871-K873 VanDerWaalsContact C-N 3.34Å; Y871-K873 PolarHBondContact O-N 3.18Å; K873-F875 PolarHBondContact O-N 3.45Å; K873-N904 WeakPolarHBondContact CD-O 3.45Å; K873-N904 PolarHBondContact NZ-OD1 3.49Å; K873-P906 HydrophobicContact CB-CG 4.5Å
874	S	97	Very high	95.3	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.014	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-75.4	-7.7	-179.4	-74.4	0	0	0	0	115.6	L595 T872 N899 D902 L903	L595-S874 WeakPolarHBondContact CD2-O 3.4Å; T872-S874 VanDerWaalsContact C-N 3.31Å; T872-S874 PolarHBondContact O-N 3.4Å; S874-N899 PolarHBondContact O-ND2 3.23Å; S874-D902 PolarHBondContact OG-O 2.85Å; S874-L903 PolarHBondContact N-O 3.01Å; S874-L903 VanDerWaalsContact OG-C 3.22Å; S874-L903 WeakPolarHBondContact OG-CA 3.42Å; S874-L903 PolarHBondContact OG-O 3.17Å
875	F	97.5	Very high	95.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-139.9	44	177.7	55.4	-77.9	0	0	0	110.6	V579 T593 L595 F867 Y871 T872 K873 W877 S878 L903	V579-F875 HydrophobicContact CG1-CD2 3.91Å; V579-F875 HydrophobicContact CG1-CE2 4.33Å; V579-F875 HydrophobicContact CG1-CG 4.48Å; V579-F875 HydrophobicContact CG2-CD2 4.44Å; V579-F875 HydrophobicContact CG2-CE2 4.47Å; T593-F875 HydrophobicContact CG2-CE1 4.42Å; T593-F875 HydrophobicContact CG2-CZ 4.43Å; L595-F875 HydrophobicContact CD1-CB 4.22Å; L595-F875 HydrophobicContact CD1-CD1 3.84Å; L595-F875 HydrophobicContact CD1-CG 4.21Å; L595-F875 HydrophobicContact CD2-CB 4.27Å; L595-F875 HydrophobicContact CG-CB 4.45Å; F867-F875 HydrophobicContact CD2-CE2 4.1Å; F867-F875 HydrophobicContact CD2-CZ 4.44Å; Y871-F875 HydrophobicContact CD1-CE1 4.47Å; Y871-F875 AromaticContact CD1-CZ 3.74Å; Y871-F875 HydrophobicContact CD1-CZ 3.74Å; Y871-F875 AromaticContact CE1-CZ 3.8Å; Y871-F875 HydrophobicContact CE1-CZ 3.8Å; Y871-F875 VanDerWaalsContact O-CE1 3.27Å; Y871-F875 WeakPolarHBondContact O-CE1 3.4Å; T872-F875 HydrophobicContact CG2-CD2 4.2Å; T872-F875 HydrophobicContact CG2-CE2 3.58Å; T872-F875 HydrophobicContact CG2-CZ 3.88Å; T872-F875 CarbonylContact O-C 3.55Å; T872-F875 PolarHBondContact O-N 2.7Å; K873-F875 PolarHBondContact O-N 3.45Å; F875-W877 HydrophobicContact CB-CD2 4.41Å; F875-W877 HydrophobicContact CB-CZ2 3.71Å; F875-W877 PolarHBondContact O-N 3.49Å; F875-W877 VanDerWaalsContact O-N 3.1Å; F875-S878 WeakPolarHBondContact CD2-OG 3.28Å; F875-S878 VanDerWaalsContact O-CB 3.24Å; F875-S878 WeakPolarHBondContact O-CB 3.47Å; F875-S878 PolarHBondContact O-N 3.28Å; F875-S878 PolarHBondContact O-OG 2.91Å; F875-L903 HydrophobicContact CD1-CD2 4.28Å; F875-L903 HydrophobicContact CE1-CD2 4.26Å
876	A	97.6	Very high	95.9	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.008	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-64.8	-18.5	-172.7	0	0	0	0	0	113	T872 S878 R879 Y883 F910 T911	T872-A876 WeakPolarHBondContact O-CA 3.29Å; T872-A876 PolarHBondContact O-N 3.48Å; A876-S878 PolarHBondContact O-N 3.01Å; A876-S878 VanDerWaalsContact O-N 3.09Å; A876-R879 WeakPolarHBondContact O-CB 3.3Å; A876-R879 VanDerWaalsContact O-CG 3.32Å; A876-R879 WeakPolarHBondContact O-CG 3.32Å; A876-R879 PolarHBondContact O-N 3.32Å; A876-R879 VanDerWaalsContact O-N 3.15Å; A876-Y883 PolarHBondContact O-OH 3.38Å; A876-F910 HydrophobicContact CB-CB 4.44Å; A876-T911 HydrophobicContact CB-CG2 3.52Å
877	W	97.7	Very high	96.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-56.2	-16.5	167.8	52.5	-109.4	0	0	0	113.8	E577 V579 L753 H755 F875 R879 Y883 F910 T930	E577-W877 HydrophobicContact CB-CH2 4.48Å; E577-W877 HydrophobicContact CB-CZ2 3.72Å; E577-W877 HydrophobicContact CG-CH2 4.37Å; E577-W877 HydrophobicContact CG-CZ2 3.47Å; E577-W877 VanDerWaalsContact CG-CZ2 3.47Å; V579-W877 HydrophobicContact CB-CH2 4.21Å; V579-W877 HydrophobicContact CB-CZ2 4.43Å; V579-W877 HydrophobicContact CG1-CH2 3.65Å; V579-W877 HydrophobicContact CG1-CZ2 4.21Å; V579-W877 HydrophobicContact CG1-CZ3 4.4Å; L753-W877 HydrophobicContact CB-CH2 4.21Å; L753-W877 HydrophobicContact CB-CZ3 4Å; L753-W877 HydrophobicContact CD1-CZ3 4.45Å; H755-W877 HydrophobicContact CB-CD2 3.83Å; H755-W877 HydrophobicContact CB-CE3 3.52Å; H755-W877 HydrophobicContact CB-CH2 4Å; H755-W877 HydrophobicContact CB-CZ2 4.32Å; H755-W877 HydrophobicContact CB-CZ3 3.63Å; H755-W877 AromaticContact CD2-CG 3.79Å; H755-W877 AromaticContact CG-CD2 3.7Å; H755-W877 AromaticContact CG-CE3 3.58Å; H755-W877 AromaticContact CG-CG 3.93Å; H755-W877 AromaticContact ND1-CE3 3.71Å; F875-W877 HydrophobicContact CB-CD2 4.41Å; F875-W877 HydrophobicContact CB-CZ2 3.71Å; F875-W877 PolarHBondContact O-N 3.49Å; F875-W877 VanDerWaalsContact O-N 3.1Å; W877-R879 VanDerWaalsContact C-N 3.33Å; W877-Y883 WeakPolarHBondContact O-CE2 3.41Å; W877-F910 VanDerWaalsContact CA-CD1 3.41Å; W877-F910 HydrophobicContact CB-CB 4.48Å; W877-F910 HydrophobicContact CB-CD1 3.54Å; W877-F910 HydrophobicContact CB-CD2 4.05Å; W877-F910 HydrophobicContact CB-CE1 3.65Å; W877-F910 HydrophobicContact CB-CE2 4.14Å; W877-F910 HydrophobicContact CB-CG 3.75Å; W877-F910 HydrophobicContact CB-CZ 3.95Å; W877-T930 HydrophobicContact CE3-CG2 4.2Å; W877-T930 HydrophobicContact CZ3-CG2 3.94Å; W877-T930 PolarHBondContact O-OG1 3.4Å; W877-T930 VanDerWaalsContact O-OG1 3.12Å
878	S	97	Very high	96.4	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.007	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-77.7	-11.9	177	63.2	0	0	0	0	114.7	L753 T865 F875 A876	L753-S878 VanDerWaalsContact CD1-CB 3.5Å; T865-S878 WeakPolarHBondContact CB-O 3.39Å; T865-S878 PolarHBondContact OG1-O 3.46Å; F875-S878 WeakPolarHBondContact CD2-OG 3.28Å; F875-S878 VanDerWaalsContact O-CB 3.24Å; F875-S878 WeakPolarHBondContact O-CB 3.47Å; F875-S878 PolarHBondContact O-N 3.28Å; F875-S878 PolarHBondContact O-OG 2.91Å; A876-S878 PolarHBondContact O-N 3.01Å; A876-S878 VanDerWaalsContact O-N 3.09Å
879	R	95.8	Very high	96.3	Very high	49 Å²	49	31.9 Å²	31.9	19%	0.185	15%	0.149	C	C	.	.	S	Bend	trans	-76.6	-26.1	-171.3	-61.3	174.8	-171.3	170.1	5.5	113.1	D869 T872 A876 W877	D869-R879 PolarHBondContact O-NH2 2.98Å; D869-R879 IonicContact OD1-CZ 2.84Å; D869-R879 IonicContact OD1-NE 3.16Å; D869-R879 PolarHBondContact OD1-NE 3.29Å; D869-R879 IonicContact OD2-CZ 2.66Å; D869-R879 IonicContact OD2-NH1 3.46Å; D869-R879 PolarHBondContact OD2-NH1 2.81Å; T872-R879 PolarHBondContact OG1-NE 3.31Å; T872-R879 PolarHBondContact OG1-NH2 3.32Å; A876-R879 WeakPolarHBondContact O-CB 3.3Å; A876-R879 VanDerWaalsContact O-CG 3.32Å; A876-R879 WeakPolarHBondContact O-CG 3.32Å; A876-R879 PolarHBondContact O-N 3.32Å; A876-R879 VanDerWaalsContact O-N 3.15Å; W877-R879 VanDerWaalsContact C-N 3.33Å
880	H	96.1	Very high	96.2	Very high	47 Å²	47	33.5 Å²	33.5	22%	0.218	16%	0.158	C	C	.	.	S	Bend	trans	-128	153.5	175.2	-57.7	-73.1	0	0	0	110.6	S820 Y883	S820-H880 PolarHBondContact OG-ND1 3.48Å; H880-Y883 HydrophobicContact CB-CD2 4.17Å; H880-Y883 HydrophobicContact CB-CE1 4.37Å; H880-Y883 HydrophobicContact CB-CE2 3.58Å; H880-Y883 AromaticContact CD2-CE1 3.58Å; H880-Y883 AromaticContact CD2-CZ 3.41Å; H880-Y883 VanDerWaalsContact CD2-CZ 3.41Å; H880-Y883 PolarHBondContact CD2-OH 3.26Å; H880-Y883 AromaticContact CG-CZ 3.93Å; H880-Y883 PolarHBondContact N-OH 3.03Å
881	Q	96	Very high	96.3	Very high	5 Å²	5	29.2 Å²	29.2	2%	0.023	14%	0.138	C	C	.	.	S	Bend	trans	-81.9	-20.5	-178.8	-70.2	72.8	37.5	0	0	112.4	F819 Q862 V863 T930	F819-Q881 PolarHBondContact O-N 3.34Å; Q862-Q881 HydrophobicContact CB-CG 4.09Å; Q862-Q881 HydrophobicContact CG-CB 4.28Å; Q862-Q881 HydrophobicContact CG-CG 4.16Å; V863-Q881 PolarHBondContact O-NE2 2.86Å; Q881-T930 PolarHBondContact O-N 3.43Å; Q881-T930 VanDerWaalsContact O-N 3.09Å
882	L	98	Very high	96.2	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.016	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	129.1	174.5	169.4	63.8	0	0	0	109.6	I769 F819 Y829 I857 V884 L927 W928 L929	I769-L882 HydrophobicContact CD1-CD2 4.41Å; F819-L882 HydrophobicContact CB-CB 4.26Å; F819-L882 HydrophobicContact CD2-CB 4.32Å; F819-L882 HydrophobicContact CD2-CD2 3.7Å; F819-L882 HydrophobicContact CD2-CG 3.9Å; F819-L882 HydrophobicContact CE2-CD2 4.27Å; F819-L882 PolarHBondContact N-O 3.03Å; F819-L882 PolarHBondContact O-N 3.2Å; Y829-L882 HydrophobicContact CD1-CD2 4.1Å; Y829-L882 HydrophobicContact CD2-CD2 3.97Å; Y829-L882 HydrophobicContact CE2-CD2 4.39Å; Y829-L882 HydrophobicContact CG-CD2 3.8Å; I857-L882 HydrophobicContact CD1-CD1 4.39Å; I857-L882 HydrophobicContact CD1-CD2 3.99Å; L882-V884 HydrophobicContact CD1-CG2 4.05Å; L882-V884 HydrophobicContact CD2-CG2 4.3Å; L882-V884 HydrophobicContact CG-CG2 4.14Å; L882-L927 HydrophobicContact CD1-CB 4.13Å; L882-L927 HydrophobicContact CD1-CD2 4.32Å; L882-W928 CarbonylContact C-O 3.4Å; L882-W928 WeakPolarHBondContact CA-O 3.03Å; L882-L929 HydrophobicContact CB-CD2 3.94Å; L882-L929 HydrophobicContact CD1-CD2 3.69Å; L882-L929 HydrophobicContact CD1-CG 3.81Å; L882-L929 HydrophobicContact CG-CD2 4.3Å
883	Y	98.5	Very high	96.1	Very high	11 Å²	11	31.4 Å²	31.4	4%	0.043	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	144	159.3	-57.7	-111.9	0	0	0	108.9	A817 R818 A876 W877 H880 F910 W928	A817-Y883 WeakPolarHBondContact O-CA 3.45Å; R818-Y883 HydrophobicContact CB-CD1 4.37Å; R818-Y883 HydrophobicContact CB-CE1 4.46Å; R818-Y883 HydrophobicContact CG-CD1 3.82Å; R818-Y883 HydrophobicContact CG-CE1 4.05Å; A876-Y883 PolarHBondContact O-OH 3.38Å; W877-Y883 WeakPolarHBondContact O-CE2 3.41Å; H880-Y883 HydrophobicContact CB-CD2 4.17Å; H880-Y883 HydrophobicContact CB-CE1 4.37Å; H880-Y883 HydrophobicContact CB-CE2 3.58Å; H880-Y883 AromaticContact CD2-CE1 3.58Å; H880-Y883 AromaticContact CD2-CZ 3.41Å; H880-Y883 VanDerWaalsContact CD2-CZ 3.41Å; H880-Y883 PolarHBondContact CD2-OH 3.26Å; H880-Y883 AromaticContact CG-CZ 3.93Å; H880-Y883 PolarHBondContact N-OH 3.03Å; Y883-F910 AromaticContact CD1-CE1 3.94Å; Y883-F910 HydrophobicContact CD1-CE1 3.94Å; Y883-F910 AromaticContact CD2-CE1 3.82Å; Y883-F910 HydrophobicContact CD2-CE1 3.82Å; Y883-F910 HydrophobicContact CD2-CZ 4.21Å; Y883-F910 AromaticContact CE1-CE1 3.94Å; Y883-F910 HydrophobicContact CE1-CE1 3.94Å; Y883-F910 AromaticContact CE2-CE1 3.84Å; Y883-F910 HydrophobicContact CE2-CE1 3.84Å; Y883-F910 AromaticContact CG-CE1 3.88Å; Y883-F910 HydrophobicContact CG-CE1 3.88Å; Y883-F910 HydrophobicContact CG-CZ 4.22Å; Y883-F910 AromaticContact CZ-CE1 3.89Å; Y883-W928 PolarHBondContact N-O 2.79Å; Y883-W928 PolarHBondContact O-N 3.02Å
884	V	98.6	Very high	96.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	122	168.1	-172	0	0	0	0	108	I769 A817 F819 L882 L925 V926 L927	I769-V884 HydrophobicContact CD1-CG2 3.71Å; A817-V884 HydrophobicContact CB-CB 3.79Å; A817-V884 HydrophobicContact CB-CG2 4.22Å; A817-V884 PolarHBondContact O-N 3.34Å; A817-V884 VanDerWaalsContact O-N 3.15Å; F819-V884 HydrophobicContact CE2-CG2 4.33Å; L882-V884 HydrophobicContact CD1-CG2 4.05Å; L882-V884 HydrophobicContact CD2-CG2 4.3Å; L882-V884 HydrophobicContact CG-CG2 4.14Å; V884-L925 HydrophobicContact CG1-CB 4.21Å; V884-L925 HydrophobicContact CG1-CD1 3.97Å; V884-L925 HydrophobicContact CG1-CD2 4.23Å; V884-L925 HydrophobicContact CG1-CG 4.36Å; V884-V926 WeakPolarHBondContact CA-O 3.46Å; V884-L927 HydrophobicContact CB-CD2 4.47Å; V884-L927 HydrophobicContact CG1-CD2 4.11Å; V884-L927 HydrophobicContact CG2-CD2 3.81Å
885	T	98.5	Very high	96.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	159	-179.3	67.3	0	0	0	0	110.1	E814 F913 L925 V926 W928	E814-T885 WeakPolarHBondContact OE1-CA 3.19Å; E814-T885 VanDerWaalsContact OE1-CB 3.31Å; E814-T885 WeakPolarHBondContact OE1-CB 3.28Å; T885-F913 HydrophobicContact CG2-CB 4.35Å; T885-F913 WeakPolarHBondContact CG2-O 3.27Å; T885-L925 WeakPolarHBondContact O-CA 3.44Å; T885-V926 PolarHBondContact N-O 3.31Å; T885-V926 VanDerWaalsContact N-O 3.1Å; T885-V926 PolarHBondContact O-N 3.31Å; T885-W928 PolarHBondContact OG1-NE1 3.29Å
886	Q	97.8	Very high	96.1	Very high	38 Å²	38	28.9 Å²	28.9	18%	0.178	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	147.7	166.8	-169.1	172	18.7	0	0	109.3	E814 H888 E923 D924	E814-Q886 PolarHBondContact OE1-N 2.76Å; Q886-H888 PolarHBondContact O-CD2 3.18Å; Q886-H888 PolarHBondContact O-N 3.13Å; Q886-E923 HydrophobicContact CG-CB 4.29Å; Q886-E923 VanDerWaalsContact NE2-CD 3.3Å; Q886-E923 PolarHBondContact NE2-OE2 3.12Å; Q886-D924 CarbonylContact C-O 3.01Å; Q886-D924 WeakPolarHBondContact CA-O 3.42Å
887	Q	97.1	Very high	96	Very high	36 Å²	36	29.1 Å²	29.1	17%	0.168	15%	0.149	C	C	.	.			trans	-75.4	125.6	178.7	-169.7	-81.8	-41.1	0	0	110.9	K248 D889 D924 V926	K248-Q887 HydrophobicContact CD-CG 3.99Å; Q887-D889 PolarHBondContact NE2-OD1 3.38Å; Q887-D924 HydrophobicContact CB-CB 3.86Å; Q887-D924 WeakPolarHBondContact CB-OD1 3.45Å; Q887-D924 PolarHBondContact N-O 3.11Å; Q887-V926 HydrophobicContact CB-CG2 3.9Å; Q887-V926 HydrophobicContact CG-CG2 3.86Å
888	H	96.5	Very high	96	Very high	50 Å²	50	29.2 Å²	29.2	23%	0.231	15%	0.15	C	C	.	.			trans	-125.8	138.5	169.2	-63.9	-82.1	0	0	0	112.5	Q886 N890 E891 E918	Q886-H888 PolarHBondContact O-CD2 3.18Å; Q886-H888 PolarHBondContact O-N 3.13Å; H888-N890 WeakPolarHBondContact CB-OD1 3.41Å; H888-N890 PolarHBondContact O-N 3.3Å; H888-E891 HydrophobicContact CB-CB 4.24Å; H888-E891 HydrophobicContact CB-CG 4.01Å; H888-E891 IonicContact CD2-OE2 3.99Å; H888-E891 PolarHBondContact O-N 3.5Å; H888-E891 VanDerWaalsContact O-N 3.13Å; H888-E918 IonicContact CD2-OE2 3.92Å; H888-E918 IonicContact CE1-OE1 3.12Å; H888-E918 IonicContact CE1-OE2 3.86Å; H888-E918 PolarHBondContact CE1-OE2 2.83Å; H888-E918 IonicContact NE2-OE1 3.8Å; H888-E918 IonicContact NE2-OE2 3.22Å; H888-E918 PolarHBondContact NE2-OE2 3.18Å
889	D	93.4	Very high	96	Very high	75 Å²	75	29.2 Å²	29.2	40%	0.401	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-20	179.1	-80	-21.4	0	0	0	113.2	N247 K248 Q887	N247-D889 HydrophobicContact CB-CB 4.07Å; N247-D889 VanDerWaalsContact CB-CG 3.5Å; N247-D889 WeakPolarHBondContact CB-OD2 3.26Å; N247-D889 PolarHBondContact ND2-OD2 3.29Å; N247-D889 VanDerWaalsContact ND2-OD2 3.15Å; K248-D889 PolarHBondContact N-OD1 3.34Å; Q887-D889 PolarHBondContact NE2-OD1 3.38Å
890	N	91.7	Very high	96	Very high	134 Å²	134	27 Å²	27	72%	0.717	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-7.4	174.6	64.1	-4.3	0	0	0	113.2	H888 S892	H888-N890 WeakPolarHBondContact CB-OD1 3.41Å; H888-N890 PolarHBondContact O-N 3.3Å; N890-S892 VanDerWaalsContact C-N 3.33Å; N890-S892 PolarHBondContact O-N 3.12Å
891	E	94.5	Very high	96	Very high	25 Å²	25	24.7 Å²	24.7	12%	0.117	13%	0.131	C	C	.	.			trans	-98.7	51	176	-69.1	-177	169.3	0	0	110.9	K757 H888 F893 F913	K757-E891 PolarHBondContact NZ-O 3.24Å; H888-E891 HydrophobicContact CB-CB 4.24Å; H888-E891 HydrophobicContact CB-CG 4.01Å; H888-E891 IonicContact CD2-OE2 3.99Å; H888-E891 PolarHBondContact O-N 3.5Å; H888-E891 VanDerWaalsContact O-N 3.13Å; E891-F893 VanDerWaalsContact C-N 3.3Å; E891-F893 PolarHBondContact O-N 2.96Å; E891-F913 HydrophobicContact CB-CD1 4.2Å; E891-F913 HydrophobicContact CB-CE1 3.63Å; E891-F913 HydrophobicContact CB-CZ 3.97Å; E891-F913 HydrophobicContact CG-CD1 4.09Å; E891-F913 HydrophobicContact CG-CE1 3.83Å; E891-F913 HydrophobicContact CG-CE2 4.33Å; E891-F913 HydrophobicContact CG-CG 4.45Å; E891-F913 HydrophobicContact CG-CZ 3.94Å
892	S	89.5	Confident	96	Very high	58 Å²	58	24.7 Å²	24.7	41%	0.406	13%	0.131	S	C	.	.			trans	-68	-29.3	-175.6	44.4	0	0	0	0	113.1	K757 N890	K757-S892 PolarHBondContact NZ-O 2.97Å; N890-S892 VanDerWaalsContact C-N 3.33Å; N890-S892 PolarHBondContact O-N 3.12Å
893	F	93.9	Very high	95.8	Very high	48 Å²	48	25 Å²	25	21%	0.211	13%	0.132	C	C	.	.			trans	-134.4	140.3	-177.7	-54.9	-104.2	0	0	0	112.2	R552 E576 E891 S895 F913	R552-F893 VanDerWaalsContact CZ-CE1 3.47Å; E576-F893 VanDerWaalsContact OE2-CA 3.22Å; E576-F893 WeakPolarHBondContact OE2-CA 3.36Å; E891-F893 VanDerWaalsContact C-N 3.3Å; E891-F893 PolarHBondContact O-N 2.96Å; F893-S895 VanDerWaalsContact C-N 3.34Å; F893-S895 WeakPolarHBondContact CB-O 3.41Å; F893-F913 VanDerWaalsContact O-CZ 3.28Å; F893-F913 WeakPolarHBondContact O-CZ 3.41Å
894	A	96.3	Very high	95.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-79.9	-12.8	172.9	0	0	0	0	0	114.5	E576 F910 W928	E576-A894 HydrophobicContact CB-CB 4Å; E576-A894 HydrophobicContact CG-CB 4.16Å; E576-A894 PolarHBondContact OE2-N 2.72Å; A894-F910 HydrophobicContact CB-CD2 3.7Å; A894-F910 HydrophobicContact CB-CE2 3.72Å; A894-W928 HydrophobicContact CB-CE3 3.76Å; A894-W928 HydrophobicContact CB-CH2 4.33Å; A894-W928 HydrophobicContact CB-CZ3 3.53Å
895	S	97.3	Very high	95.2	Very high	6 Å²	6	28.7 Å²	28.7	4%	0.042	16%	0.157	C	C	.	.			trans	-142.7	-178.5	-177.4	-168.7	0	0	0	0	110.4	E577 F893	E577-S895 WeakPolarHBondContact OE2-CB 3.1Å; E577-S895 PolarHBondContact OE2-OG 3.42Å; F893-S895 VanDerWaalsContact C-N 3.34Å; F893-S895 WeakPolarHBondContact CB-O 3.41Å
896	S	96.1	Very high	95.1	Very high	20 Å²	20	30 Å²	30	14%	0.14	17%	0.166	C	C	.	.			trans	-146.7	149.9	173.7	-179.7	0	0	0	0	110.3	F898 N899 V907	S896-F898 PolarHBondContact O-N 2.75Å; S896-F898 WeakPolarHBondContact OG-CD2 3.44Å; S896-F898 PolarHBondContact OG-N 2.78Å; S896-N899 VanDerWaalsContact O-CB 3.27Å; S896-N899 WeakPolarHBondContact O-CB 2.84Å; S896-N899 PolarHBondContact O-N 2.61Å; S896-V907 VanDerWaalsContact CB-CG2 3.45Å; S896-V907 VanDerWaalsContact OG-CG2 3.31Å; S896-V907 WeakPolarHBondContact OG-CG2 3.4Å
897	I	95.9	Very high	95.1	Very high	6 Å²	6	30.2 Å²	30.2	3%	0.031	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-31.4	168.6	68.8	172.7	0	0	0	112.5	W239 I293 P330 D554 S597 V598 G900	W239-I897 HydrophobicContact CE3-CD1 3.84Å; W239-I897 HydrophobicContact CH2-CB 4.4Å; W239-I897 HydrophobicContact CH2-CD1 3.34Å; W239-I897 HydrophobicContact CH2-CG1 4.44Å; W239-I897 HydrophobicContact CH2-CG2 4.35Å; W239-I897 HydrophobicContact CZ2-CD1 4.29Å; W239-I897 HydrophobicContact CZ3-CD1 3.08Å; W239-I897 HydrophobicContact CZ3-CG1 4.47Å; I293-I897 HydrophobicContact CD1-CD1 3.55Å; P330-I897 HydrophobicContact CG-CD1 4.35Å; D554-I897 HydrophobicContact CB-CG2 4.37Å; S597-I897 WeakPolarHBondContact O-CG2 3.35Å; V598-I897 WeakPolarHBondContact CG2-O 3.48Å; I897-G900 PolarHBondContact O-N 2.83Å
898	F	97.4	Very high	95.1	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.009	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-23.1	-177.7	-55.6	-64.4	0	0	0	112.2	I293 I304 Y324 K328 S896 G900 V901 D902 V907	I293-F898 HydrophobicContact CD1-CE2 4.24Å; I293-F898 HydrophobicContact CD1-CZ 4.01Å; I293-F898 HydrophobicContact CG2-CZ 3.91Å; I304-F898 HydrophobicContact CD1-CD1 4.31Å; I304-F898 HydrophobicContact CD1-CE1 3.82Å; I304-F898 HydrophobicContact CG2-CE1 4.04Å; I304-F898 HydrophobicContact CG2-CZ 3.81Å; Y324-F898 AromaticContact CD2-CD2 3.99Å; Y324-F898 HydrophobicContact CD2-CD2 3.99Å; Y324-F898 AromaticContact CD2-CE2 3.57Å; Y324-F898 HydrophobicContact CD2-CE2 3.57Å; Y324-F898 AromaticContact CD2-CZ 3.88Å; Y324-F898 HydrophobicContact CD2-CZ 3.88Å; Y324-F898 AromaticContact CE2-CD2 3.82Å; Y324-F898 HydrophobicContact CE2-CD2 3.82Å; Y324-F898 AromaticContact CE2-CE2 3.33Å; Y324-F898 HydrophobicContact CE2-CE2 3.33Å; Y324-F898 HydrophobicContact CE2-CZ 4.03Å; K328-F898 WeakPolarHBondContact O-CD1 3.45Å; S896-F898 PolarHBondContact O-N 2.75Å; S896-F898 WeakPolarHBondContact OG-CD2 3.44Å; S896-F898 PolarHBondContact OG-N 2.78Å; F898-G900 VanDerWaalsContact C-N 3.25Å; F898-G900 PolarHBondContact O-N 2.79Å; F898-V901 PolarHBondContact O-N 3.05Å; F898-D902 PolarHBondContact O-N 2.56Å; F898-V907 HydrophobicContact CB-CG1 3.99Å; F898-V907 HydrophobicContact CB-CG2 3.77Å; F898-V907 HydrophobicContact CD2-CG2 3.98Å; F898-V907 HydrophobicContact CG-CG2 4.36Å
899	N	97.1	Very high	95.1	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-32.2	171.9	-74.6	22.2	0	0	0	110.7	L595 S874 S896 V901 D902 P906 V907 V908	L595-N899 HydrophobicContact CD2-CB 3.81Å; S874-N899 PolarHBondContact O-ND2 3.23Å; S896-N899 VanDerWaalsContact O-CB 3.27Å; S896-N899 WeakPolarHBondContact O-CB 2.84Å; S896-N899 PolarHBondContact O-N 2.61Å; N899-V901 VanDerWaalsContact C-N 3.28Å; N899-V901 PolarHBondContact O-N 2.85Å; N899-D902 CarbonylContact O-C 3.51Å; N899-D902 VanDerWaalsContact O-C 3.3Å; N899-D902 PolarHBondContact O-N 3.38Å; N899-P906 WeakPolarHBondContact OD1-CA 3.45Å; N899-V907 WeakPolarHBondContact OD1-CG2 3.21Å; N899-V907 PolarHBondContact OD1-N 3.29Å; N899-V908 PolarHBondContact ND2-O 2.87Å; N899-V908 PolarHBondContact OD1-N 3.06Å
900	G	95.7	Very high	95.3	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.01	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-15.5	174.1	0	0	0	0	0	115	I897 F898	I897-G900 PolarHBondContact O-N 2.83Å; F898-G900 VanDerWaalsContact C-N 3.25Å; F898-G900 PolarHBondContact O-N 2.79Å
901	V	96.9	Very high	95.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-37.6	172.5	-178.5	0	0	0	0	111.2	K328 P330 M418 I419 V598 F898 N899	K328-V901 WeakPolarHBondContact O-CG1 3.35Å; K328-V901 WeakPolarHBondContact O-CG2 3.48Å; P330-V901 HydrophobicContact CG-CG2 4.35Å; M418-V901 HydrophobicContact CB-CG1 4.15Å; M418-V901 HydrophobicContact CE-CB 4.31Å; M418-V901 HydrophobicContact CE-CG1 3.85Å; M418-V901 HydrophobicContact CE-CG2 3.8Å; M418-V901 PolarHBondContact N-O 2.99Å; I419-V901 HydrophobicContact CD1-CG1 4.39Å; I419-V901 PolarHBondContact N-O 3Å; V598-V901 HydrophobicContact CG2-CG2 3.67Å; F898-V901 PolarHBondContact O-N 3.05Å; N899-V901 VanDerWaalsContact C-N 3.28Å; N899-V901 PolarHBondContact O-N 2.85Å
902	D	96	Very high	95.7	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.021	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-131.7	106.6	-175.9	-177.1	-17.5	0	0	0	110.9	K328 I419 S874 F898 N899 N904 S905	K328-D902 IonicContact NZ-OD2 3.54Å; K328-D902 PolarHBondContact NZ-OD2 2.85Å; I419-D902 HydrophobicContact CB-CB 4.04Å; I419-D902 HydrophobicContact CD1-CB 4.13Å; I419-D902 HydrophobicContact CG2-CB 4.34Å; S874-D902 PolarHBondContact OG-O 2.85Å; F898-D902 PolarHBondContact O-N 2.56Å; N899-D902 CarbonylContact O-C 3.51Å; N899-D902 VanDerWaalsContact O-C 3.3Å; N899-D902 PolarHBondContact O-N 3.38Å; D902-N904 VanDerWaalsContact C-N 3.31Å; D902-N904 PolarHBondContact O-N 3.23Å; D902-N904 PolarHBondContact OD1-N 2.93Å; D902-S905 PolarHBondContact OD1-N 3.47Å; D902-S905 WeakPolarHBondContact OD2-CB 3.27Å
903	L	92.4	Very high	96.1	Very high	9 Å²	9	25.4 Å²	25.4	5%	0.047	14%	0.139	C	C	.	.	S	Bend	trans	-77.9	-13.6	-178.4	-64.2	-176.5	0	0	0	114.1	P417 T593 L595 S874 F875	P417-L903 HydrophobicContact CB-CD1 4.21Å; P417-L903 HydrophobicContact CB-CG 3.9Å; P417-L903 HydrophobicContact CG-CD1 3.66Å; P417-L903 HydrophobicContact CG-CG 3.79Å; T593-L903 HydrophobicContact CG2-CD1 3.76Å; L595-L903 HydrophobicContact CD1-CD2 3.67Å; S874-L903 PolarHBondContact N-O 3.01Å; S874-L903 VanDerWaalsContact OG-C 3.22Å; S874-L903 WeakPolarHBondContact OG-CA 3.42Å; S874-L903 PolarHBondContact OG-O 3.17Å; F875-L903 HydrophobicContact CD1-CD2 4.28Å; F875-L903 HydrophobicContact CE1-CD2 4.26Å
904	N	91.1	Very high	96.3	Very high	35 Å²	35	23.2 Å²	23.2	19%	0.187	13%	0.13	C	C	.	.	S	Bend	trans	-99.9	-30.2	-173.2	179	57.2	0	0	0	113.1	K873 D902	K873-N904 WeakPolarHBondContact CD-O 3.45Å; K873-N904 PolarHBondContact NZ-OD1 3.49Å; D902-N904 VanDerWaalsContact C-N 3.31Å; D902-N904 PolarHBondContact O-N 3.23Å; D902-N904 PolarHBondContact OD1-N 2.93Å
905	S	95.1	Very high	96.3	Very high	55 Å²	55	26.3 Å²	26.3	39%	0.385	15%	0.151	S	C	.	.	S	Bend	trans	-125.3	79.5	-177.8	-177.8	0	0	0	0	110.4	K328 D902	K328-S905 PolarHBondContact NZ-O 3.14Å; D902-S905 PolarHBondContact OD1-N 3.47Å; D902-S905 WeakPolarHBondContact OD2-CB 3.27Å
906	P	96.2	Very high	96.2	Very high	28 Å²	28	29.8 Å²	29.8	18%	0.182	17%	0.169	C	C	.	.			trans	-61.8	145	178.5	20.5	-30.3	0	0	0	112.7	K873 N899 V908 D909	K873-P906 HydrophobicContact CB-CG 4.5Å; N899-P906 WeakPolarHBondContact OD1-CA 3.45Å; P906-V908 WeakPolarHBondContact CB-O 3.47Å; P906-D909 HydrophobicContact CG-CB 4.24Å
907	V	96.5	Very high	96.3	Very high	42 Å²	42	31.4 Å²	31.4	26%	0.255	18%	0.177	S	C	.	.	S	Bend	trans	-85.6	-31.3	166.8	-56.2	0	0	0	0	111.3	Y324 K328 S896 F898 N899	Y324-V907 HydrophobicContact CD1-CB 4.09Å; Y324-V907 HydrophobicContact CD1-CG1 3.59Å; Y324-V907 HydrophobicContact CE1-CB 3.71Å; Y324-V907 HydrophobicContact CE1-CG1 3.77Å; Y324-V907 HydrophobicContact CE1-CG2 4.26Å; Y324-V907 HydrophobicContact CG-CG1 4.36Å; K328-V907 HydrophobicContact CD-CG1 3.85Å; S896-V907 VanDerWaalsContact CB-CG2 3.45Å; S896-V907 VanDerWaalsContact OG-CG2 3.31Å; S896-V907 WeakPolarHBondContact OG-CG2 3.4Å; F898-V907 HydrophobicContact CB-CG1 3.99Å; F898-V907 HydrophobicContact CB-CG2 3.77Å; F898-V907 HydrophobicContact CD2-CG2 3.98Å; F898-V907 HydrophobicContact CG-CG2 4.36Å; N899-V907 WeakPolarHBondContact OD1-CG2 3.21Å; N899-V907 PolarHBondContact OD1-N 3.29Å
908	V	97.4	Very high	96.4	Very high	33 Å²	33	33.7 Å²	33.7	20%	0.2	19%	0.187	C	C	.	.	S	Bend	trans	-106.4	103.3	167.1	173.3	0	0	0	0	107.4	N899 P906 F910 F913	N899-V908 PolarHBondContact ND2-O 2.87Å; N899-V908 PolarHBondContact OD1-N 3.06Å; P906-V908 WeakPolarHBondContact CB-O 3.47Å; V908-F910 PolarHBondContact O-N 3.48Å; V908-F913 HydrophobicContact CG1-CE2 4.22Å; V908-F913 HydrophobicContact CG1-CZ 4.35Å
909	D	97.2	Very high	96.4	Very high	43 Å²	43	36.2 Å²	36.2	23%	0.23	21%	0.205	C	C	.	.			trans	-92.7	95.5	179.4	-179.1	-0.6	0	0	0	109.9	P906 T911 K912	P906-D909 HydrophobicContact CG-CB 4.24Å; D909-T911 VanDerWaalsContact CG-OG1 3.28Å; D909-T911 PolarHBondContact O-N 2.94Å; D909-T911 VanDerWaalsContact O-N 3.13Å; D909-T911 WeakPolarHBondContact OD1-CB 3.41Å; D909-T911 PolarHBondContact OD1-N 3.36Å; D909-T911 PolarHBondContact OD1-OG1 2.91Å; D909-T911 PolarHBondContact OD2-OG1 3.45Å; D909-K912 HydrophobicContact CB-CD 4.08Å; D909-K912 HydrophobicContact CB-CG 4.16Å; D909-K912 WeakPolarHBondContact O-CB 3.34Å; D909-K912 PolarHBondContact O-N 2.93Å; D909-K912 WeakPolarHBondContact OD2-CE 3.19Å
910	F	98.1	Very high	96.4	Very high	3 Å²	3	36.1 Å²	36.1	1%	0.013	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-60.8	-21.9	-178.6	-170.3	-94.7	0	0	0	113	H755 A876 W877 Y883 A894 V908 K912 F913 W928	H755-F910 AromaticContact NE2-CE2 3.96Å; A876-F910 HydrophobicContact CB-CB 4.44Å; W877-F910 VanDerWaalsContact CA-CD1 3.41Å; W877-F910 HydrophobicContact CB-CB 4.48Å; W877-F910 HydrophobicContact CB-CD1 3.54Å; W877-F910 HydrophobicContact CB-CD2 4.05Å; W877-F910 HydrophobicContact CB-CE1 3.65Å; W877-F910 HydrophobicContact CB-CE2 4.14Å; W877-F910 HydrophobicContact CB-CG 3.75Å; W877-F910 HydrophobicContact CB-CZ 3.95Å; Y883-F910 AromaticContact CD1-CE1 3.94Å; Y883-F910 HydrophobicContact CD1-CE1 3.94Å; Y883-F910 AromaticContact CD2-CE1 3.82Å; Y883-F910 HydrophobicContact CD2-CE1 3.82Å; Y883-F910 HydrophobicContact CD2-CZ 4.21Å; Y883-F910 AromaticContact CE1-CE1 3.94Å; Y883-F910 HydrophobicContact CE1-CE1 3.94Å; Y883-F910 AromaticContact CE2-CE1 3.84Å; Y883-F910 HydrophobicContact CE2-CE1 3.84Å; Y883-F910 AromaticContact CG-CE1 3.88Å; Y883-F910 HydrophobicContact CG-CE1 3.88Å; Y883-F910 HydrophobicContact CG-CZ 4.22Å; Y883-F910 AromaticContact CZ-CE1 3.89Å; A894-F910 HydrophobicContact CB-CD2 3.7Å; A894-F910 HydrophobicContact CB-CE2 3.72Å; V908-F910 PolarHBondContact O-N 3.48Å; F910-K912 PolarHBondContact O-N 3.41Å; F910-F913 HydrophobicContact CD2-CD1 4.03Å; F910-F913 HydrophobicContact CD2-CD2 4.3Å; F910-F913 HydrophobicContact CD2-CE1 4.26Å; F910-F913 HydrophobicContact CD2-CG 4.06Å; F910-F913 AromaticContact CE2-CD1 3.89Å; F910-F913 HydrophobicContact CE2-CD1 3.89Å; F910-F913 HydrophobicContact CE2-CE1 4.3Å; F910-F913 HydrophobicContact CE2-CG 4.22Å; F910-F913 WeakPolarHBondContact O-CB 3.34Å; F910-F913 PolarHBondContact O-N 2.85Å; F910-W928 HydrophobicContact CE2-CB 4.34Å; F910-W928 AromaticContact CE2-CD2 3.82Å; F910-W928 HydrophobicContact CE2-CD2 3.82Å; F910-W928 HydrophobicContact CE2-CE3 4.08Å; F910-W928 AromaticContact CE2-CG 3.96Å; F910-W928 HydrophobicContact CE2-CG 3.96Å; F910-W928 HydrophobicContact CZ-CB 3.78Å; F910-W928 HydrophobicContact CZ-CD2 4.08Å; F910-W928 AromaticContact CZ-CG 3.7Å; F910-W928 HydrophobicContact CZ-CG 3.7Å
911	T	97.2	Very high	96.4	Very high	51 Å²	51	38.4 Å²	38.4	31%	0.313	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-62.3	-26.7	176.3	69.8	0	0	0	0	111.8	A876 D909 F913 S915	A876-T911 HydrophobicContact CB-CG2 3.52Å; D909-T911 VanDerWaalsContact CG-OG1 3.28Å; D909-T911 PolarHBondContact O-N 2.94Å; D909-T911 VanDerWaalsContact O-N 3.13Å; D909-T911 WeakPolarHBondContact OD1-CB 3.41Å; D909-T911 PolarHBondContact OD1-N 3.36Å; D909-T911 PolarHBondContact OD1-OG1 2.91Å; D909-T911 PolarHBondContact OD2-OG1 3.45Å; T911-F913 VanDerWaalsContact C-N 3.32Å; T911-F913 PolarHBondContact O-N 3.31Å; T911-S915 WeakPolarHBondContact O-CB 3.47Å; T911-S915 PolarHBondContact O-N 3.27Å
912	K	97.2	Very high	96.2	Very high	132 Å²	132	41.7 Å²	41.7	57%	0.574	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-68.2	-30.4	-179.1	-67.1	-177.7	-178.8	173.1	0	113.4	D909 F910 S914 S915 N916	D909-K912 HydrophobicContact CB-CD 4.08Å; D909-K912 HydrophobicContact CB-CG 4.16Å; D909-K912 WeakPolarHBondContact O-CB 3.34Å; D909-K912 PolarHBondContact O-N 2.93Å; D909-K912 WeakPolarHBondContact OD2-CE 3.19Å; F910-K912 PolarHBondContact O-N 3.41Å; K912-S914 PolarHBondContact O-N 3.44Å; K912-S915 WeakPolarHBondContact CA-OG 3.29Å; K912-S915 PolarHBondContact O-N 3.43Å; K912-S915 VanDerWaalsContact O-N 3.1Å; K912-S915 PolarHBondContact O-OG 3.46Å; K912-N916 PolarHBondContact O-OD1 3.46Å
913	F	98	Very high	96.2	Very high	14 Å²	14	44.5 Å²	44.5	6%	0.061	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-60.5	-15.8	-175	-76.8	-131.1	0	0	0	113.8	T885 E891 F893 V908 F910 T911 W928	T885-F913 HydrophobicContact CG2-CB 4.35Å; T885-F913 WeakPolarHBondContact CG2-O 3.27Å; E891-F913 HydrophobicContact CB-CD1 4.2Å; E891-F913 HydrophobicContact CB-CE1 3.63Å; E891-F913 HydrophobicContact CB-CZ 3.97Å; E891-F913 HydrophobicContact CG-CD1 4.09Å; E891-F913 HydrophobicContact CG-CE1 3.83Å; E891-F913 HydrophobicContact CG-CE2 4.33Å; E891-F913 HydrophobicContact CG-CG 4.45Å; E891-F913 HydrophobicContact CG-CZ 3.94Å; F893-F913 VanDerWaalsContact O-CZ 3.28Å; F893-F913 WeakPolarHBondContact O-CZ 3.41Å; V908-F913 HydrophobicContact CG1-CE2 4.22Å; V908-F913 HydrophobicContact CG1-CZ 4.35Å; F910-F913 HydrophobicContact CD2-CD1 4.03Å; F910-F913 HydrophobicContact CD2-CD2 4.3Å; F910-F913 HydrophobicContact CD2-CE1 4.26Å; F910-F913 HydrophobicContact CD2-CG 4.06Å; F910-F913 AromaticContact CE2-CD1 3.89Å; F910-F913 HydrophobicContact CE2-CD1 3.89Å; F910-F913 HydrophobicContact CE2-CE1 4.3Å; F910-F913 HydrophobicContact CE2-CG 4.22Å; F910-F913 WeakPolarHBondContact O-CB 3.34Å; F910-F913 PolarHBondContact O-N 2.85Å; T911-F913 VanDerWaalsContact C-N 3.32Å; T911-F913 PolarHBondContact O-N 3.31Å; F913-W928 HydrophobicContact CD1-CH2 4.35Å; F913-W928 AromaticContact CD1-CZ2 3.72Å; F913-W928 HydrophobicContact CD1-CZ2 3.72Å; F913-W928 AromaticContact CE1-CH2 3.83Å; F913-W928 HydrophobicContact CE1-CH2 3.83Å; F913-W928 AromaticContact CE1-CZ2 3.62Å; F913-W928 HydrophobicContact CE1-CZ2 3.62Å
914	S	97.3	Very high	96.4	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.021	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-134.3	7	176.3	59	0	0	0	0	113.1	E814 R818 K912 N917	E814-S914 WeakPolarHBondContact OE2-CA 3.36Å; R818-S914 PolarHBondContact NE-OG 3.45Å; R818-S914 VanDerWaalsContact NH2-C 3.35Å; R818-S914 PolarHBondContact NH2-O 2.9Å; R818-S914 PolarHBondContact NH2-OG 3.25Å; K912-S914 PolarHBondContact O-N 3.44Å; S914-N917 PolarHBondContact O-N 3.29Å
915	S	96.3	Very high	96.8	Very high	64 Å²	64	43.5 Å²	43.5	45%	0.448	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-29.1	-171.8	66.9	0	0	0	0	113.2	M815 T911 K912 N917	M815-S915 WeakPolarHBondContact CE-O 3.47Å; T911-S915 WeakPolarHBondContact O-CB 3.47Å; T911-S915 PolarHBondContact O-N 3.27Å; K912-S915 WeakPolarHBondContact CA-OG 3.29Å; K912-S915 PolarHBondContact O-N 3.43Å; K912-S915 VanDerWaalsContact O-N 3.1Å; K912-S915 PolarHBondContact O-OG 3.46Å; S915-N917 PolarHBondContact O-N 3.03Å
916	N	95.4	Very high	96.9	Very high	80 Å²	80	41 Å²	41	43%	0.428	22%	0.222	S	C	.	.	S	Bend	trans	-68.8	-14.6	168.6	53.8	-25.3	0	0	0	112.4	E814 K912 E918	E814-N916 PolarHBondContact OE2-OD1 3.14Å; K912-N916 PolarHBondContact O-OD1 3.46Å; N916-E918 VanDerWaalsContact C-N 3.34Å; N916-E918 HydrophobicContact CB-CG 4.47Å; N916-E918 WeakPolarHBondContact ND2-CG 3.42Å; N916-E918 PolarHBondContact ND2-OE1 3.07Å; N916-E918 PolarHBondContact ND2-OE2 2.86Å; N916-E918 PolarHBondContact O-N 2.8Å
917	N	98.1	Very high	97	Very high	54 Å²	54	39.7 Å²	39.7	29%	0.289	21%	0.213	S	C	.	.			trans	56	46.2	170.6	-166.6	41	0	0	0	112.6	T813 E814 M815 S914 S915	T813-N917 WeakPolarHBondContact CB-OD1 3.35Å; T813-N917 PolarHBondContact OG1-ND2 3.34Å; T813-N917 PolarHBondContact OG1-OD1 3.43Å; E814-N917 PolarHBondContact OE2-N 2.73Å; M815-N917 WeakPolarHBondContact CB-OD1 3.46Å; M815-N917 HydrophobicContact CE-CB 4.01Å; M815-N917 HydrophobicContact CG-CB 3.82Å; M815-N917 VanDerWaalsContact CG-CG 3.49Å; M815-N917 WeakPolarHBondContact CG-OD1 3.49Å; M815-N917 PolarHBondContact N-OD1 3.32Å; M815-N917 HydrophobicContact SD-CB 3.87Å; S914-N917 PolarHBondContact O-N 3.29Å; S915-N917 PolarHBondContact O-N 3.03Å
918	E	98.3	Very high	97.1	Very high	53 Å²	53	37.7 Å²	37.7	25%	0.248	20%	0.201	C	C	.	.			trans	-64.1	165	-178.1	-74.9	172.6	144.5	0	0	112	T813 E814 H888 N916	T813-E918 WeakPolarHBondContact CA-O 3.42Å; T813-E918 WeakPolarHBondContact CB-O 3.4Å; E814-E918 HydrophobicContact CG-CB 4.36Å; E814-E918 PolarHBondContact N-O 3.01Å; E814-E918 VanDerWaalsContact N-O 3.11Å; E814-E918 PolarHBondContact OE2-N 3.07Å; H888-E918 IonicContact CD2-OE2 3.92Å; H888-E918 IonicContact CE1-OE1 3.12Å; H888-E918 IonicContact CE1-OE2 3.86Å; H888-E918 PolarHBondContact CE1-OE2 2.83Å; H888-E918 IonicContact NE2-OE1 3.8Å; H888-E918 IonicContact NE2-OE2 3.22Å; H888-E918 PolarHBondContact NE2-OE2 3.18Å; N916-E918 VanDerWaalsContact C-N 3.34Å; N916-E918 HydrophobicContact CB-CG 4.47Å; N916-E918 WeakPolarHBondContact ND2-CG 3.42Å; N916-E918 PolarHBondContact ND2-OE1 3.07Å; N916-E918 PolarHBondContact ND2-OE2 2.86Å; N916-E918 PolarHBondContact O-N 2.8Å
919	S	97.6	Very high	97.2	Very high	55 Å²	55	36.2 Å²	36.2	39%	0.385	19%	0.192	S	C	.	.	B	Isolated β-bridge	trans	-68.3	139.2	171.5	177.8	0	0	0	0	109.4	K812 F921	K812-S919 WeakPolarHBondContact O-CA 3.32Å; S919-F921 PolarHBondContact OG-N 3.22Å
920	I	96.9	Very high	97.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.183	C	C	.	.			trans	-119.8	14.9	173.6	59.7	169.8	0	0	0	112	I769 P811 K812 T813 E814 A817 L925	I769-I920 HydrophobicContact CG2-CD1 3.79Å; P811-I920 HydrophobicContact CB-CD1 4.13Å; K812-I920 PolarHBondContact O-N 3.43Å; T813-I920 WeakPolarHBondContact O-CD1 3.46Å; E814-I920 HydrophobicContact CB-CG2 4.44Å; E814-I920 HydrophobicContact CG-CG2 3.5Å; E814-I920 VanDerWaalsContact CG-CG2 3.5Å; A817-I920 HydrophobicContact CB-CD1 3.35Å; I920-L925 HydrophobicContact CB-CD2 3.72Å; I920-L925 HydrophobicContact CG2-CD2 4.08Å
921	F	94.8	Very high	97.2	Very high	48 Å²	48	34.3 Å²	34.3	21%	0.211	18%	0.182	C	C	.	.	S	Bend	trans	-102.7	120.8	179.3	-174.9	-91.9	0	0	0	110.4	F768 I810 K812 S919	F768-F921 HydrophobicContact CB-CD2 3.58Å; F768-F921 HydrophobicContact CB-CE2 3.87Å; F768-F921 HydrophobicContact CB-CG 4.35Å; F768-F921 HydrophobicContact CD1-CE2 4.3Å; F768-F921 HydrophobicContact CD2-CD2 4.26Å; F768-F921 AromaticContact CD2-CE2 3.88Å; F768-F921 HydrophobicContact CD2-CE2 3.88Å; F768-F921 HydrophobicContact CE2-CE2 4.48Å; F768-F921 HydrophobicContact CG-CD2 4.01Å; F768-F921 AromaticContact CG-CE2 3.76Å; F768-F921 HydrophobicContact CG-CE2 3.76Å; I810-F921 HydrophobicContact CG2-CD2 3.68Å; I810-F921 HydrophobicContact CG2-CE2 3.85Å; K812-F921 HydrophobicContact CD-CB 4.02Å; K812-F921 HydrophobicContact CD-CD2 4.2Å; K812-F921 HydrophobicContact CD-CG 4.16Å; K812-F921 VanDerWaalsContact NZ-CE2 3.32Å; S919-F921 PolarHBondContact OG-N 3.22Å
922	N	93.4	Very high	97.2	Very high	70 Å²	70	32.1 Å²	32.1	37%	0.374	17%	0.17	S	C	.	.	S	Bend	trans	62	43.9	-174.9	-175.8	63.7	0	0	0	112.2	E766 N767 T834	E766-N922 WeakPolarHBondContact CB-OD1 3.13Å; N767-N922 CarbonylContact O-C 3.53Å; N767-N922 VanDerWaalsContact O-CA 3.29Å; N767-N922 WeakPolarHBondContact O-CA 3.3Å; N767-N922 PolarHBondContact O-N 2.87Å; T834-N922 WeakPolarHBondContact CB-OD1 3.36Å; T834-N922 HydrophobicContact CG2-CB 4.09Å; T834-N922 WeakPolarHBondContact CG2-OD1 3.34Å; T834-N922 PolarHBondContact OG1-OD1 3.05Å
923	E	96.2	Very high	97.1	Very high	62 Å²	62	28 Å²	28	29%	0.29	15%	0.154	S	C	.	.	B	Isolated β-bridge	trans	-130.3	164.1	-175.6	-65.7	-62.2	167.9	0	0	110.9	K765 N767 Q886 L925	K765-E923 CarbonylContact O-C 3.26Å; N767-E923 WeakPolarHBondContact CA-O 3.29Å; N767-E923 PolarHBondContact N-O 2.84Å; N767-E923 PolarHBondContact O-N 3.13Å; Q886-E923 HydrophobicContact CG-CB 4.29Å; Q886-E923 VanDerWaalsContact NE2-CD 3.3Å; Q886-E923 PolarHBondContact NE2-OE2 3.12Å; E923-L925 HydrophobicContact CB-CD2 4.13Å; E923-L925 WeakPolarHBondContact O-CG 3.43Å; E923-L925 PolarHBondContact O-N 2.92Å
924	D	96.9	Very high	97	Very high	23 Å²	23	31.3 Å²	31.3	12%	0.123	17%	0.167	C	C	.	.			trans	-72	121.9	169.5	-167	-20.6	0	0	0	109.6	K248 K765 Q886 Q887	K248-D924 WeakPolarHBondContact CE-OD2 3.29Å; K248-D924 IonicContact NZ-OD1 3.77Å; K248-D924 PolarHBondContact NZ-OD1 3.16Å; K248-D924 IonicContact NZ-OD2 3.56Å; K248-D924 PolarHBondContact NZ-OD2 3.44Å; K765-D924 HydrophobicContact CB-CB 4.42Å; K765-D924 WeakPolarHBondContact O-CA 3.36Å; Q886-D924 CarbonylContact C-O 3.01Å; Q886-D924 WeakPolarHBondContact CA-O 3.42Å; Q887-D924 HydrophobicContact CB-CB 3.86Å; Q887-D924 WeakPolarHBondContact CB-OD1 3.45Å; Q887-D924 PolarHBondContact N-O 3.11Å
925	L	98.2	Very high	96.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	135.2	-166.8	-61.2	-175.4	0	0	0	113.2	I760 N767 V884 T885 I920 E923	I760-L925 PolarHBondContact N-O 3.32Å; N767-L925 HydrophobicContact CB-CB 4.43Å; N767-L925 HydrophobicContact CB-CD1 3.89Å; N767-L925 HydrophobicContact CB-CG 4.02Å; V884-L925 HydrophobicContact CG1-CB 4.21Å; V884-L925 HydrophobicContact CG1-CD1 3.97Å; V884-L925 HydrophobicContact CG1-CD2 4.23Å; V884-L925 HydrophobicContact CG1-CG 4.36Å; T885-L925 WeakPolarHBondContact O-CA 3.44Å; I920-L925 HydrophobicContact CB-CD2 3.72Å; I920-L925 HydrophobicContact CG2-CD2 4.08Å; E923-L925 HydrophobicContact CB-CD2 4.13Å; E923-L925 WeakPolarHBondContact O-CG 3.43Å; E923-L925 PolarHBondContact O-N 2.92Å
926	V	98.5	Very high	96.8	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.018	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.1	170.7	-174.7	0	0	0	0	110	K757 D759 V884 T885 Q887 W928	K757-V926 HydrophobicContact CG-CG1 3.76Å; D759-V926 HydrophobicContact CB-CG2 4.37Å; V884-V926 WeakPolarHBondContact CA-O 3.46Å; T885-V926 PolarHBondContact N-O 3.31Å; T885-V926 VanDerWaalsContact N-O 3.1Å; T885-V926 PolarHBondContact O-N 3.31Å; Q887-V926 HydrophobicContact CB-CG2 3.9Å; Q887-V926 HydrophobicContact CG-CG2 3.86Å; V926-W928 HydrophobicContact CB-CZ2 4.33Å; V926-W928 HydrophobicContact CG1-CD2 4.03Å; V926-W928 VanDerWaalsContact CG1-CE2 3.5Å; V926-W928 HydrophobicContact CG1-CH2 4.21Å; V926-W928 HydrophobicContact CG1-CZ2 3.62Å
927	L	98.6	Very high	96.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	128.6	171.7	-45.8	176.7	0	0	0	109.6	I758 I760 I831 I857 L882 V884 L929	I758-L927 HydrophobicContact CB-CB 4.24Å; I758-L927 HydrophobicContact CB-CD1 4.49Å; I758-L927 PolarHBondContact N-O 3.46Å; I758-L927 PolarHBondContact O-N 3.49Å; I760-L927 HydrophobicContact CD1-CD1 4.04Å; I760-L927 HydrophobicContact CG1-CD1 3.63Å; I760-L927 HydrophobicContact CG1-CG 3.88Å; I831-L927 HydrophobicContact CD1-CD2 3.57Å; I831-L927 HydrophobicContact CG1-CD1 4Å; I831-L927 HydrophobicContact CG1-CD2 3.76Å; I831-L927 HydrophobicContact CG1-CG 4.4Å; I857-L927 HydrophobicContact CD1-CD1 3.54Å; I857-L927 HydrophobicContact CD1-CD2 4.16Å; I857-L927 HydrophobicContact CD1-CG 4.42Å; I857-L927 HydrophobicContact CG1-CD1 4.01Å; L882-L927 HydrophobicContact CD1-CB 4.13Å; L882-L927 HydrophobicContact CD1-CD2 4.32Å; V884-L927 HydrophobicContact CB-CD2 4.47Å; V884-L927 HydrophobicContact CG1-CD2 4.11Å; V884-L927 HydrophobicContact CG2-CD2 3.81Å; L927-L929 HydrophobicContact CB-CD1 4.1Å; L927-L929 HydrophobicContact CB-CG 4.48Å; L927-L929 HydrophobicContact CD1-CD1 4.39Å
928	W	98.6	Very high	96.4	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	104.9	174.3	-51.5	95.9	0	0	0	108.5	E576 H755 F756 K757 L882 Y883 T885 A894 F910 F913 V926	E576-W928 HydrophobicContact CG-CE3 4.42Å; E576-W928 HydrophobicContact CG-CZ3 3.99Å; H755-W928 AromaticContact NE2-CE3 3.75Å; F756-W928 WeakPolarHBondContact O-CA 3.22Å; K757-W928 HydrophobicContact CB-CE3 3.93Å; K757-W928 HydrophobicContact CB-CH2 4.46Å; K757-W928 HydrophobicContact CB-CZ3 3.65Å; K757-W928 HydrophobicContact CD-CH2 3.74Å; K757-W928 HydrophobicContact CD-CZ3 3.72Å; K757-W928 HydrophobicContact CG-CE3 4.11Å; K757-W928 HydrophobicContact CG-CH2 3.95Å; K757-W928 HydrophobicContact CG-CZ3 3.62Å; L882-W928 CarbonylContact C-O 3.4Å; L882-W928 WeakPolarHBondContact CA-O 3.03Å; Y883-W928 PolarHBondContact N-O 2.79Å; Y883-W928 PolarHBondContact O-N 3.02Å; T885-W928 PolarHBondContact OG1-NE1 3.29Å; A894-W928 HydrophobicContact CB-CE3 3.76Å; A894-W928 HydrophobicContact CB-CH2 4.33Å; A894-W928 HydrophobicContact CB-CZ3 3.53Å; F910-W928 HydrophobicContact CE2-CB 4.34Å; F910-W928 AromaticContact CE2-CD2 3.82Å; F910-W928 HydrophobicContact CE2-CD2 3.82Å; F910-W928 HydrophobicContact CE2-CE3 4.08Å; F910-W928 AromaticContact CE2-CG 3.96Å; F910-W928 HydrophobicContact CE2-CG 3.96Å; F910-W928 HydrophobicContact CZ-CB 3.78Å; F910-W928 HydrophobicContact CZ-CD2 4.08Å; F910-W928 AromaticContact CZ-CG 3.7Å; F910-W928 HydrophobicContact CZ-CG 3.7Å; F913-W928 HydrophobicContact CD1-CH2 4.35Å; F913-W928 AromaticContact CD1-CZ2 3.72Å; F913-W928 HydrophobicContact CD1-CZ2 3.72Å; F913-W928 AromaticContact CE1-CH2 3.83Å; F913-W928 HydrophobicContact CE1-CH2 3.83Å; F913-W928 AromaticContact CE1-CZ2 3.62Å; F913-W928 HydrophobicContact CE1-CZ2 3.62Å; V926-W928 HydrophobicContact CB-CZ2 4.33Å; V926-W928 HydrophobicContact CG1-CD2 4.03Å; V926-W928 VanDerWaalsContact CG1-CE2 3.5Å; V926-W928 HydrophobicContact CG1-CH2 4.21Å; V926-W928 HydrophobicContact CG1-CZ2 3.62Å
929	L	98.2	Very high	96.1	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	129.6	-168.1	-79	155.4	0	0	0	110.8	H755 F756 I758 I857 L882 L927 I954	H755-L929 CarbonylContact C-O 3.14Å; H755-L929 PolarHBondContact ND1-O 3.43Å; F756-L929 PolarHBondContact N-O 3.17Å; F756-L929 PolarHBondContact O-N 3.03Å; I758-L929 HydrophobicContact CD1-CD1 3.74Å; I758-L929 HydrophobicContact CG1-CD1 4.42Å; I857-L929 HydrophobicContact CG2-CD1 3.92Å; I857-L929 HydrophobicContact CG2-CD2 3.85Å; L882-L929 HydrophobicContact CB-CD2 3.94Å; L882-L929 HydrophobicContact CD1-CD2 3.69Å; L882-L929 HydrophobicContact CD1-CG 3.81Å; L882-L929 HydrophobicContact CG-CD2 4.3Å; L927-L929 HydrophobicContact CB-CD1 4.1Å; L927-L929 HydrophobicContact CB-CG 4.48Å; L927-L929 HydrophobicContact CD1-CD1 4.39Å; L929-I954 HydrophobicContact CB-CD1 3.59Å; L929-I954 HydrophobicContact CB-CG1 4.37Å; L929-I954 HydrophobicContact CD1-CD1 4.46Å; L929-I954 HydrophobicContact CD1-CG2 3.83Å
930	T	98.3	Very high	95.9	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.031	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	129	179	-55.2	0	0	0	0	110.1	L753 F754 H755 N859 W877 Q881	L753-T930 HydrophobicContact CB-CG2 4.2Å; L753-T930 HydrophobicContact CD2-CG2 3.91Å; F754-T930 WeakPolarHBondContact O-CA 3.46Å; H755-T930 PolarHBondContact ND1-OG1 3.1Å; N859-T930 PolarHBondContact ND2-O 3.25Å; W877-T930 HydrophobicContact CE3-CG2 4.2Å; W877-T930 HydrophobicContact CZ3-CG2 3.94Å; W877-T930 PolarHBondContact O-OG1 3.4Å; W877-T930 VanDerWaalsContact O-OG1 3.12Å; Q881-T930 PolarHBondContact O-N 3.43Å; Q881-T930 VanDerWaalsContact O-N 3.09Å
931	V	98	Very high	95.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	155	167.9	-64.8	0	0	0	0	109.9	V715 L753 F754 F756 N859 G861 L952 I954	V715-V931 HydrophobicContact CG1-CG2 4.01Å; L753-V931 CarbonylContact C-O 3.53Å; L753-V931 WeakPolarHBondContact CA-O 3.42Å; F754-V931 HydrophobicContact CB-CG2 3.77Å; F754-V931 HydrophobicContact CD2-CG2 4.28Å; F754-V931 HydrophobicContact CG-CG2 4.46Å; F754-V931 PolarHBondContact N-O 3.45Å; F754-V931 PolarHBondContact O-N 3.1Å; F756-V931 HydrophobicContact CD2-CG2 4.38Å; F756-V931 HydrophobicContact CE2-CG2 3.8Å; N859-V931 VanDerWaalsContact OD1-CG1 3.29Å; N859-V931 WeakPolarHBondContact OD1-CG1 3.26Å; G861-V931 CarbonylContact O-C 3.59Å; G861-V931 VanDerWaalsContact O-CA 3.24Å; G861-V931 WeakPolarHBondContact O-CA 3.43Å; V931-L952 HydrophobicContact CB-CB 4.12Å; V931-L952 HydrophobicContact CG2-CB 4.08Å; V931-L952 HydrophobicContact CG2-CD1 4.5Å; V931-I954 HydrophobicContact CG1-CD1 3.89Å; V931-I954 HydrophobicContact CG1-CG1 3.62Å
932	G	96.9	Very high	95.7	Very high	5 Å²	5	38.3 Å²	38.3	5%	0.052	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.2	-178.5	175.5	0	0	0	0	0	114.3	H752 G861 V863	H752-G932 CarbonylContact O-C 3.46Å; H752-G932 WeakPolarHBondContact O-CA 3.42Å; G861-G932 PolarHBondContact O-N 2.91Å; V863-G932 VanDerWaalsContact CG1-C 3.44Å; V863-G932 WeakPolarHBondContact CG1-O 3.29Å
933	N	95.6	Very high	95.5	Very high	46 Å²	46	36 Å²	36	25%	0.246	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	146.4	178.1	64.8	-36.9	0	0	0	111.9	H751 H752 H935	H751-N933 PolarHBondContact CD2-O 3.3Å; H752-N933 PolarHBondContact N-O 3.12Å; H752-N933 PolarHBondContact O-N 2.92Å; N933-H935 PolarHBondContact O-N 2.8Å
934	Y	94.9	Very high	95.3	Very high	83 Å²	83	35.6 Å²	35.6	33%	0.325	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	107.7	161.7	-69.1	-75.7	0	0	0	108.2	H750 H751 V863 K864 I866 L936	H750-Y934 CarbonylContact O-C 3.57Å; H751-Y934 HydrophobicContact CB-CD1 3.84Å; H751-Y934 HydrophobicContact CB-CE1 3.78Å; H751-Y934 AromaticContact CD2-CD1 3.81Å; H751-Y934 AromaticContact CD2-CE1 3.68Å; H751-Y934 AromaticContact CD2-CZ 3.91Å; H751-Y934 AromaticContact CE1-CZ 3.82Å; H751-Y934 AromaticContact CG-CD1 3.83Å; H751-Y934 AromaticContact CG-CE1 3.5Å; H751-Y934 VanDerWaalsContact CG-CE1 3.5Å; H751-Y934 AromaticContact ND1-CE1 3.75Å; H751-Y934 AromaticContact ND1-CZ 3.96Å; H751-Y934 AromaticContact NE2-CZ 3.78Å; V863-Y934 HydrophobicContact CG2-CD2 3.61Å; V863-Y934 HydrophobicContact CG2-CE2 3.46Å; V863-Y934 VanDerWaalsContact CG2-CE2 3.46Å; K864-Y934 PolarHBondContact O-OH 3.35Å; K864-Y934 VanDerWaalsContact O-OH 3.08Å; I866-Y934 HydrophobicContact CD1-CE1 4.49Å; I866-Y934 WeakPolarHBondContact CG1-OH 3.32Å; I866-Y934 PolarHBondContact N-OH 3.48Å; Y934-L936 PolarHBondContact O-N 3.19Å
935	H	94.6	Very high	95.2	Very high	27 Å²	27	35 Å²	35	13%	0.125	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	116.9	176.9	-169.7	-170.6	0	0	0	109	Y697 H750 N933 P937 D941	Y697-H935 PolarHBondContact OH-CE1 3.05Å; Y697-H935 PolarHBondContact OH-ND1 3.44Å; Y697-H935 VanDerWaalsContact OH-ND1 3.13Å; H750-H935 AromaticContact CE1-CE1 3.99Å; H750-H935 AromaticContact CE1-CG 3.65Å; H750-H935 AromaticContact CE1-ND1 3.13Å; H750-H935 PolarHBondContact CE1-ND1 2.92Å; H750-H935 PolarHBondContact N-O 2.96Å; H750-H935 AromaticContact NE2-CG 3.6Å; H750-H935 AromaticContact NE2-ND1 2.94Å; H750-H935 PolarHBondContact NE2-ND1 3.31Å; H750-H935 PolarHBondContact O-N 3.36Å; N933-H935 PolarHBondContact O-N 2.8Å; H935-P937 WeakPolarHBondContact O-CD 3.47Å; H935-D941 IonicContact CE1-OD2 3.84Å; H935-D941 IonicContact NE2-OD2 3.19Å; H935-D941 PolarHBondContact NE2-OD2 3.2Å
936	L	93.7	Very high	95	Very high	106 Å²	106	38 Å²	38	56%	0.555	19%	0.191	S	C	*	.			trans	-99.2	96.2	167.5	-61.2	-178.8	0	0	0	107	F738 I749 Y934	F738-L936 HydrophobicContact CE2-CB 4.45Å; I749-L936 HydrophobicContact CB-CD2 4.37Å; I749-L936 HydrophobicContact CG2-CD2 3.6Å; Y934-L936 PolarHBondContact O-N 3.19Å
937	P	93.7	Very high	94.9	Very high	1 Å²	1	41 Å²	41	1%	0.006	21%	0.21	C	C	.	.			trans	-72.9	152	-172.5	10.6	-1	0	0	0	111.4	I721 F738 M747 V748 H935 D941	I721-P937 HydrophobicContact CD1-CB 3.78Å; I721-P937 HydrophobicContact CG2-CB 4.49Å; F738-P937 WeakPolarHBondContact CD2-O 3.19Å; M747-P937 HydrophobicContact CB-CB 3.98Å; M747-P937 HydrophobicContact CB-CG 4.04Å; V748-P937 WeakPolarHBondContact O-CD 3.37Å; V748-P937 WeakPolarHBondContact O-CG 3.45Å; H935-P937 WeakPolarHBondContact O-CD 3.47Å; P937-D941 WeakPolarHBondContact CA-OD2 3.23Å
938	R	92.1	Very high	94.6	Very high	137 Å²	137	45.7 Å²	45.7	52%	0.517	24%	0.242	S	C	.	.			trans	-141.3	171.5	-170.5	55	178.2	165.1	-169.4	-5.6	110.9	M747 E940 D941	M747-R938 VanDerWaalsContact SD-C 3.54Å; M747-R938 VanDerWaalsContact SD-O 3.41Å; R938-E940 VanDerWaalsContact C-N 3.25Å; R938-E940 WeakPolarHBondContact CD-OE2 3.45Å; R938-E940 HydrophobicContact CG-CB 4.42Å; R938-E940 PolarHBondContact O-N 2.98Å; R938-D941 VanDerWaalsContact CG-OD2 3.29Å; R938-D941 WeakPolarHBondContact CG-OD2 3.48Å; R938-D941 PolarHBondContact N-OD2 2.72Å; R938-D941 IonicContact NE-OD1 3.49Å; R938-D941 VanDerWaalsContact O-CB 3.29Å; R938-D941 WeakPolarHBondContact O-CB 3.43Å; R938-D941 PolarHBondContact O-N 2.7Å
939	H	92.6	Very high	94.1	Very high	72 Å²	72	49.8 Å²	49.8	33%	0.333	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-57.4	-37.1	-179.8	-92.5	-71.1	0	0	0	114.2	A740 V741 D941 L942	A740-H939 VanDerWaalsContact CA-CE1 3.46Å; A740-H939 WeakPolarHBondContact CA-CE1 3.42Å; A740-H939 WeakPolarHBondContact CA-NE2 3.4Å; V741-H939 PolarHBondContact N-CE1 2.75Å; V741-H939 PolarHBondContact N-NE2 3.25Å; H939-D941 PolarHBondContact O-N 3.04Å; H939-L942 WeakPolarHBondContact O-CB 3.4Å; H939-L942 PolarHBondContact O-N 3.29Å
940	E	93.4	Very high	93.7	Very high	134 Å²	134	50.6 Å²	50.6	63%	0.626	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-69	-7.5	178.6	-64	73.2	-161.7	0	0	113.3	R938 L942	R938-E940 VanDerWaalsContact C-N 3.25Å; R938-E940 WeakPolarHBondContact CD-OE2 3.45Å; R938-E940 HydrophobicContact CG-CB 4.42Å; R938-E940 PolarHBondContact O-N 2.98Å; E940-L942 VanDerWaalsContact C-N 3.3Å
941	D	93.8	Very high	93.5	Very high	5 Å²	5	53.7 Å²	53.7	3%	0.027	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-86.4	-3.7	172.3	-54.8	-28.6	0	0	0	112.5	I721 H935 P937 R938 H939 P943 N944 T945	I721-D941 HydrophobicContact CD1-CB 4.28Å; I721-D941 HydrophobicContact CG2-CB 4.04Å; H935-D941 IonicContact CE1-OD2 3.84Å; H935-D941 IonicContact NE2-OD2 3.19Å; H935-D941 PolarHBondContact NE2-OD2 3.2Å; P937-D941 WeakPolarHBondContact CA-OD2 3.23Å; R938-D941 VanDerWaalsContact CG-OD2 3.29Å; R938-D941 WeakPolarHBondContact CG-OD2 3.48Å; R938-D941 PolarHBondContact N-OD2 2.72Å; R938-D941 IonicContact NE-OD1 3.49Å; R938-D941 VanDerWaalsContact O-CB 3.29Å; R938-D941 WeakPolarHBondContact O-CB 3.43Å; R938-D941 PolarHBondContact O-N 2.7Å; H939-D941 PolarHBondContact O-N 3.04Å; D941-P943 CarbonylContact O-C 3.53Å; D941-N944 CarbonylContact O-C 3.54Å; D941-N944 VanDerWaalsContact O-CA 3.31Å; D941-N944 WeakPolarHBondContact O-CA 3.45Å; D941-N944 PolarHBondContact O-N 3.44Å; D941-N944 VanDerWaalsContact O-N 3.14Å; D941-T945 HydrophobicContact CB-CG2 3.8Å; D941-T945 PolarHBondContact O-N 3.39Å
942	L	92.4	Very high	93.5	Very high	22 Å²	22	54.5 Å²	54.5	12%	0.115	32%	0.318	C	S	.	.	S	Bend	trans	-98.2	135.9	176.3	-56.3	-176.8	0	0	0	111.3	Y499 I721 A740 I745 M747 H939 E940	Y499-L942 HydrophobicContact CE1-CB 4.19Å; I721-L942 HydrophobicContact CD1-CD2 3.86Å; I721-L942 HydrophobicContact CG1-CD2 4.04Å; A740-L942 HydrophobicContact CB-CD1 4.19Å; I745-L942 HydrophobicContact CD1-CD1 3.92Å; I745-L942 HydrophobicContact CD1-CD2 4.45Å; M747-L942 HydrophobicContact SD-CD1 4.49Å; M747-L942 HydrophobicContact SD-CG 4.49Å; H939-L942 WeakPolarHBondContact O-CB 3.4Å; H939-L942 PolarHBondContact O-N 3.29Å; E940-L942 VanDerWaalsContact C-N 3.3Å
943	P	89.9	Confident	93.5	Very high	23 Å²	23	54.6 Å²	54.6	15%	0.149	32%	0.318	C	S	.	.	S	Bend	cis	-75.5	-24.7	-1.7	30.7	-34.9	0	0	0	112.8	Q442 Y499 Q502 Y720 D941	Q442-P943 PolarHBondContact NE2-O 2.77Å; Q442-P943 PolarHBondContact OE1-O 3.09Å; Y499-P943 HydrophobicContact CD1-CB 3.81Å; Y499-P943 HydrophobicContact CD2-CB 4.12Å; Y499-P943 HydrophobicContact CE1-CB 3.73Å; Y499-P943 HydrophobicContact CE2-CB 4.03Å; Y499-P943 HydrophobicContact CG-CB 4Å; Q502-P943 HydrophobicContact CB-CG 4.26Å; Y720-P943 WeakPolarHBondContact CD1-O 3.47Å; Y720-P943 HydrophobicContact CE1-CB 4.23Å; D941-P943 CarbonylContact O-C 3.53Å
944	N	91.6	Very high	93.6	Very high	52 Å²	52	52.4 Å²	52.4	28%	0.278	31%	0.306	S	S	.	.	S	Bend	trans	-135.4	140.5	-177	-176.6	-29.9	0	0	0	108.7	T718 G719 Y720 D941	T718-N944 PolarHBondContact OG1-OD1 2.8Å; G719-N944 VanDerWaalsContact CA-CG 3.48Å; G719-N944 WeakPolarHBondContact CA-ND2 3.11Å; G719-N944 WeakPolarHBondContact CA-OD1 3.14Å; G719-N944 PolarHBondContact N-OD1 3.47Å; G719-N944 WeakPolarHBondContact O-CA 3.3Å; G719-N944 VanDerWaalsContact O-CG 3.31Å; G719-N944 PolarHBondContact O-OD1 3.43Å; Y720-N944 HydrophobicContact CD1-CB 4.3Å; Y720-N944 HydrophobicContact CE1-CB 4.15Å; D941-N944 CarbonylContact O-C 3.54Å; D941-N944 VanDerWaalsContact O-CA 3.31Å; D941-N944 WeakPolarHBondContact O-CA 3.45Å; D941-N944 PolarHBondContact O-N 3.44Å; D941-N944 VanDerWaalsContact O-N 3.14Å
945	T	95.1	Very high	93.8	Very high	11 Å²	11	49.1 Å²	49.1	7%	0.067	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-56.6	142.5	178.6	54.6	0	0	0	0	111.3	T718 G719 I721 D941	T718-T945 VanDerWaalsContact C-OG1 3.26Å; T718-T945 WeakPolarHBondContact CA-OG1 3.46Å; T718-T945 PolarHBondContact OG1-O 3.09Å; T718-T945 PolarHBondContact OG1-OG1 3.31Å; G719-T945 PolarHBondContact N-OG1 2.89Å; G719-T945 PolarHBondContact O-N 2.93Å; G719-T945 PolarHBondContact O-OG1 3.1Å; I721-T945 HydrophobicContact CG2-CG2 3.42Å; I721-T945 VanDerWaalsContact CG2-CG2 3.42Å; D941-T945 HydrophobicContact CB-CG2 3.8Å; D941-T945 PolarHBondContact O-N 3.39Å
946	A	95.2	Very high	94	Very high	64 Å²	64	48 Å²	48	53%	0.529	29%	0.288	S	S	.	.			trans	-81.2	145.2	171	0	0	0	0	0	111.4	S948	A946-S948 PolarHBondContact O-N 3.41Å
947	T	95.2	Very high	94.2	Very high	66 Å²	66	46.2 Å²	46.2	41%	0.405	28%	0.278	S	S	.	.	S	Bend	trans	-69.4	-18	173.8	53.1	0	0	0	0	113.4	I700 T716 T718 G949 G950 P951	I700-T947 HydrophobicContact CD1-CG2 3.92Å; T716-T947 HydrophobicContact CG2-CG2 3.93Å; T718-T947 HydrophobicContact CG2-CG2 4.33Å; T947-G949 PolarHBondContact O-N 2.57Å; T947-G950 PolarHBondContact O-N 3.03Å; T947-G950 VanDerWaalsContact O-N 3.11Å; T947-P951 WeakPolarHBondContact O-CD 3.47Å
948	S	92.3	Very high	94.3	Very high	98 Å²	98	47.6 Å²	47.6	69%	0.685	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	121.1	-176.9	-67.7	0	0	0	0	111.7	A946 G950	A946-S948 PolarHBondContact O-N 3.41Å; S948-G950 PolarHBondContact O-N 2.83Å
949	G	88.9	Confident	94.5	Very high	87 Å²	87	44 Å²	44	90%	0.897	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	0.4	-176.6	0	0	0	0	0	114.7	T947	T947-G949 PolarHBondContact O-N 2.57Å
950	G	88.6	Confident	94.5	Very high	18 Å²	18	43.3 Å²	43.3	19%	0.186	27%	0.274	C	S	.	.			trans	-87.6	-20.2	176.9	0	0	0	0	0	118.1	T947 S948 L952	T947-G950 PolarHBondContact O-N 3.03Å; T947-G950 VanDerWaalsContact O-N 3.11Å; S948-G950 PolarHBondContact O-N 2.83Å; G950-L952 PolarHBondContact O-N 3.5Å
951	P	94.8	Very high	94.5	Very high	70 Å²	70	37 Å²	37	46%	0.455	25%	0.245	S	C	.	.			trans	-64	129.8	-175	-23.1	33.5	0	0	0	112.9	T716 T947	T716-P951 HydrophobicContact CG2-CG 4.01Å; T716-P951 WeakPolarHBondContact OG1-CB 3.35Å; T947-P951 WeakPolarHBondContact O-CD 3.47Å
952	L	97.9	Very high	94.5	Very high	18 Å²	18	37.6 Å²	37.6	9%	0.094	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	134.6	170.7	-56.2	172.4	0	0	0	108.3	S714 V715 F754 V931 G950	S714-L952 CarbonylContact C-O 3.42Å; S714-L952 VanDerWaalsContact CA-O 3.3Å; S714-L952 WeakPolarHBondContact CA-O 3.27Å; S714-L952 PolarHBondContact OG-O 3.02Å; V715-L952 HydrophobicContact CG1-CB 3.99Å; V715-L952 HydrophobicContact CG1-CD1 4.45Å; V715-L952 PolarHBondContact N-O 2.59Å; V715-L952 PolarHBondContact O-N 3.2Å; F754-L952 HydrophobicContact CD2-CD1 4.11Å; F754-L952 HydrophobicContact CE2-CD1 4.11Å; V931-L952 HydrophobicContact CB-CB 4.12Å; V931-L952 HydrophobicContact CG2-CB 4.08Å; V931-L952 HydrophobicContact CG2-CD1 4.5Å; G950-L952 PolarHBondContact O-N 3.5Å
953	S	97.6	Very high	94.4	Very high	7 Å²	7	39.5 Å²	39.5	5%	0.049	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	144.8	-168.8	62.1	0	0	0	0	114.2	E712 F713 K860 F955	E712-S953 WeakPolarHBondContact OE1-CB 3.48Å; F713-S953 CarbonylContact O-C 3.05Å; F713-S953 VanDerWaalsContact O-CA 3.29Å; F713-S953 WeakPolarHBondContact O-CA 3.26Å; K860-S953 PolarHBondContact N-O 2.7Å; S953-F955 VanDerWaalsContact OG-CE2 3.24Å; S953-F955 WeakPolarHBondContact OG-CE2 3.38Å
954	I	98.4	Very high	94.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	123.5	168.1	-65.5	154.6	0	0	0	108.2	E712 F713 F756 I758 V858 N859 L929 V931 I956	E712-I954 CarbonylContact C-O 3.54Å; E712-I954 VanDerWaalsContact CA-O 3.31Å; E712-I954 WeakPolarHBondContact CA-O 3.37Å; F713-I954 HydrophobicContact CB-CB 4.48Å; F713-I954 PolarHBondContact N-O 2.91Å; F713-I954 PolarHBondContact O-N 3.13Å; F756-I954 HydrophobicContact CB-CD1 4.02Å; F756-I954 HydrophobicContact CD2-CD1 3.57Å; F756-I954 HydrophobicContact CE2-CD1 4.27Å; F756-I954 HydrophobicContact CG-CD1 3.91Å; I758-I954 HydrophobicContact CD1-CG2 4.08Å; V858-I954 CarbonylContact O-C 3.4Å; V858-I954 WeakPolarHBondContact O-CA 3.25Å; N859-I954 HydrophobicContact CB-CG1 4.46Å; L929-I954 HydrophobicContact CB-CD1 3.59Å; L929-I954 HydrophobicContact CB-CG1 4.37Å; L929-I954 HydrophobicContact CD1-CD1 4.46Å; L929-I954 HydrophobicContact CD1-CG2 3.83Å; V931-I954 HydrophobicContact CG1-CD1 3.89Å; V931-I954 HydrophobicContact CG1-CG1 3.62Å; I954-I956 HydrophobicContact CG2-CD1 4.14Å; I954-I956 HydrophobicContact CG2-CG1 4.5Å
955	F	98.4	Very high	94.3	Very high	14 Å²	14	45.9 Å²	45.9	6%	0.061	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	135.8	170.8	-60.4	-103.3	0	0	0	110.4	Y706 V710 I711 E712 V858 K860 S953 M957	Y706-F955 HydrophobicContact CE2-CE1 4.42Å; V710-F955 HydrophobicContact CG1-CB 4.42Å; V710-F955 HydrophobicContact CG1-CD1 3.83Å; I711-F955 WeakPolarHBondContact O-CA 3.47Å; E712-F955 HydrophobicContact CB-CD1 3.92Å; E712-F955 HydrophobicContact CB-CE1 3.89Å; E712-F955 HydrophobicContact CB-CG 4.5Å; E712-F955 HydrophobicContact CB-CZ 4.44Å; E712-F955 HydrophobicContact CG-CD1 4.07Å; E712-F955 HydrophobicContact CG-CD2 4.49Å; E712-F955 HydrophobicContact CG-CE1 3.75Å; E712-F955 HydrophobicContact CG-CE2 4.17Å; E712-F955 HydrophobicContact CG-CG 4.42Å; E712-F955 HydrophobicContact CG-CZ 3.78Å; E712-F955 VanDerWaalsContact OE1-CZ 3.3Å; E712-F955 WeakPolarHBondContact OE1-CZ 3.26Å; E712-F955 WeakPolarHBondContact OE2-CE1 2.93Å; E712-F955 WeakPolarHBondContact OE2-CZ 3.24Å; V858-F955 HydrophobicContact CB-CB 4.13Å; V858-F955 PolarHBondContact N-O 3.18Å; V858-F955 PolarHBondContact O-N 2.92Å; K860-F955 HydrophobicContact CD-CD2 4.31Å; K860-F955 HydrophobicContact CD-CE2 3.62Å; K860-F955 HydrophobicContact CD-CZ 4.46Å; K860-F955 VanDerWaalsContact CE-CE2 3.42Å; K860-F955 HydrophobicContact CG-CD2 4.24Å; K860-F955 HydrophobicContact CG-CE2 3.98Å; S953-F955 VanDerWaalsContact OG-CE2 3.24Å; S953-F955 WeakPolarHBondContact OG-CE2 3.38Å; F955-M957 HydrophobicContact CB-CG 3.93Å; F955-M957 HydrophobicContact CB-SD 4.21Å
956	I	98.4	Very high	94.1	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.015	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	114.7	168	-56	-59.5	0	0	0	107	V710 I711 F713 I758 L855 V856 I857 I954	V710-I956 WeakPolarHBondContact CA-O 3.18Å; I711-I956 PolarHBondContact N-O 3.41Å; I711-I956 PolarHBondContact O-N 2.82Å; F713-I956 HydrophobicContact CE2-CG1 4.21Å; I758-I956 HydrophobicContact CD1-CD1 3.92Å; I758-I956 HydrophobicContact CD1-CG1 3.96Å; L855-I956 HydrophobicContact CB-CG2 3.93Å; L855-I956 HydrophobicContact CD1-CG2 3.72Å; L855-I956 HydrophobicContact CD2-CG2 4.31Å; L855-I956 HydrophobicContact CG-CG2 4.18Å; V856-I956 WeakPolarHBondContact O-CA 3.34Å; I857-I956 HydrophobicContact CG1-CD1 4.12Å; I857-I956 HydrophobicContact CG2-CD1 4.3Å; I954-I956 HydrophobicContact CG2-CD1 4.14Å; I954-I956 HydrophobicContact CG2-CG1 4.5Å
957	M	97.5	Very high	93.8	Very high	68 Å²	68	42.8 Å²	42.8	34%	0.335	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	134.3	-166.7	-53.6	178.7	67.5	0	0	111.8	V710 L855 V856 V858 F955 H959	V710-M957 HydrophobicContact CB-CG 4.44Å; V710-M957 HydrophobicContact CG1-CG 3.82Å; V710-M957 HydrophobicContact CG2-CB 4.03Å; V710-M957 HydrophobicContact CG2-CE 3.97Å; V710-M957 HydrophobicContact CG2-CG 3.87Å; L855-M957 CarbonylContact C-O 3.55Å; L855-M957 VanDerWaalsContact CA-O 3.22Å; L855-M957 WeakPolarHBondContact CA-O 3.49Å; V856-M957 HydrophobicContact CB-CB 4.27Å; V856-M957 PolarHBondContact N-O 3.39Å; V856-M957 PolarHBondContact O-N 3.22Å; V858-M957 HydrophobicContact CG2-SD 3.95Å; F955-M957 HydrophobicContact CB-CG 3.93Å; F955-M957 HydrophobicContact CB-SD 4.21Å; M957-H959 PolarHBondContact O-N 3.33Å
958	P	96.7	Very high	93.4	Very high	31 Å²	31	40.6 Å²	40.6	20%	0.201	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	135.3	172.4	-24.9	34.7	0	0	0	112.6	G709 L961 F962	G709-P958 WeakPolarHBondContact O-CD 3.01Å; G709-P958 WeakPolarHBondContact O-CG 2.96Å; P958-L961 HydrophobicContact CB-CB 4.09Å; P958-L961 HydrophobicContact CB-CD2 4.29Å; P958-F962 HydrophobicContact CB-CD2 4.14Å; P958-F962 HydrophobicContact CB-CE2 4.11Å; P958-F962 HydrophobicContact CG-CE2 4.13Å
959	H	95.5	Very high	93.2	Very high	61 Å²	61	37.2 Å²	37.2	28%	0.282	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	113.3	175.6	-172.5	95.2	0	0	0	109.3	L830 C854 V856 M957 L961	L830-H959 HydrophobicContact CD2-CB 4.45Å; C854-H959 HydrophobicContact CB-CB 4.19Å; C854-H959 PolarHBondContact N-O 2.66Å; C854-H959 PolarHBondContact O-N 2.8Å; C854-H959 VanDerWaalsContact O-O 3.08Å; V856-H959 HydrophobicContact CG2-CB 3.58Å; M957-H959 PolarHBondContact O-N 3.33Å; H959-L961 PolarHBondContact O-N 3.22Å; H959-L961 VanDerWaalsContact O-N 3.09Å
960	N	93.7	Very high	92.9	Very high	57 Å²	57	33.5 Å²	33.5	31%	0.305	19%	0.185	S	C	.	.	S	Bend	trans	53.1	26.8	-174.1	-57.3	-30.4	0	0	0	114	N851 D852 L1000	N851-N960 HydrophobicContact CB-CB 4.4Å; D852-N960 WeakPolarHBondContact O-CB 2.99Å; N960-L1000 HydrophobicContact CB-CD2 4.27Å; N960-L1000 VanDerWaalsContact O-CD2 3.25Å; N960-L1000 WeakPolarHBondContact O-CD2 3.13Å
961	L	93.3	Very high	92.4	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.189	C	C	.	.	S	Bend	trans	-84.8	-35.5	177.3	-175.2	57.8	0	0	0	112.2	V567 L569 I762 V763 K853 P958 H959 M999 L1000	V567-L961 HydrophobicContact CG1-CD1 4.28Å; V567-L961 HydrophobicContact CG1-CD2 4.27Å; L569-L961 HydrophobicContact CD2-CD2 3.82Å; I762-L961 HydrophobicContact CD1-CD1 4.04Å; I762-L961 HydrophobicContact CD1-CD2 4.16Å; I762-L961 HydrophobicContact CG1-CD1 4.33Å; V763-L961 HydrophobicContact CG2-CD1 3.97Å; K853-L961 HydrophobicContact CB-CD1 3.97Å; K853-L961 HydrophobicContact CD-CD1 4.24Å; K853-L961 HydrophobicContact CG-CD1 4.27Å; P958-L961 HydrophobicContact CB-CB 4.09Å; P958-L961 HydrophobicContact CB-CD2 4.29Å; H959-L961 PolarHBondContact O-N 3.22Å; H959-L961 VanDerWaalsContact O-N 3.09Å; L961-M999 WeakPolarHBondContact O-CG 3.33Å; L961-L1000 PolarHBondContact O-N 2.72Å
962	F	93.2	Very high	91.8	Very high	18 Å²	18	33 Å²	33	8%	0.079	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-117.2	150.2	-179	-58.4	-74.3	0	0	0	110.3	F564 A565 V567 P958 Y964 P966 I997	F564-F962 AromaticContact CD1-CE2 3.89Å; F564-F962 HydrophobicContact CD1-CE2 3.89Å; F564-F962 AromaticContact CD1-CZ 3.64Å; F564-F962 HydrophobicContact CD1-CZ 3.64Å; F564-F962 HydrophobicContact CE1-CE2 4.02Å; F564-F962 AromaticContact CE1-CZ 3.96Å; F564-F962 HydrophobicContact CE1-CZ 3.96Å; A565-F962 HydrophobicContact CB-CE1 4.34Å; V567-F962 HydrophobicContact CG2-CE1 4.14Å; V567-F962 HydrophobicContact CG2-CZ 4.35Å; P958-F962 HydrophobicContact CB-CD2 4.14Å; P958-F962 HydrophobicContact CB-CE2 4.11Å; P958-F962 HydrophobicContact CG-CE2 4.13Å; F962-Y964 VanDerWaalsContact C-N 3.26Å; F962-Y964 WeakPolarHBondContact CB-O 3.33Å; F962-Y964 PolarHBondContact O-N 3.19Å; F962-P966 HydrophobicContact CB-CG 4.49Å; F962-P966 HydrophobicContact CD2-CG 3.44Å; F962-P966 VanDerWaalsContact CD2-CG 3.44Å; F962-P966 HydrophobicContact CE2-CG 3.73Å; F962-P966 HydrophobicContact CG-CG 3.92Å; F962-P966 HydrophobicContact CZ-CG 4.43Å; F962-I997 HydrophobicContact CB-CG2 4.12Å; F962-I997 HydrophobicContact CD1-CG2 3.52Å; F962-I997 HydrophobicContact CE1-CG2 4.22Å; F962-I997 HydrophobicContact CG-CG2 3.99Å
963	T	90	Very high	91.2	Very high	62 Å²	62	37 Å²	37	38%	0.38	19%	0.191	S	C	.	.	S	Bend	trans	-61.5	-38.3	178.2	-46	0	0	0	0	111.6	P998	T963-P998 PolarHBondContact N-O 2.95Å; T963-P998 PolarHBondContact OG1-O 3.23Å
964	Y	89.9	Confident	90.8	Very high	150 Å²	150	38.1 Å²	38.1	59%	0.588	20%	0.195	S	C	*	.	S	Bend	trans	-133.9	159.7	170.7	-53.4	-83.4	0	0	0	109.1	F962 F969 P998	F962-Y964 VanDerWaalsContact C-N 3.26Å; F962-Y964 WeakPolarHBondContact CB-O 3.33Å; F962-Y964 PolarHBondContact O-N 3.19Å; Y964-F969 HydrophobicContact CD2-CE2 4.34Å; Y964-F969 AromaticContact CD2-CZ 3.85Å; Y964-F969 HydrophobicContact CD2-CZ 3.85Å; Y964-F969 HydrophobicContact CG-CZ 4.44Å; Y964-P998 HydrophobicContact CD2-CG 4.47Å
965	S	89.7	Confident	90.5	Very high	59 Å²	59	44.1 Å²	44.1	41%	0.413	22%	0.218	S	C	.	.			trans	-57.2	127.3	177.6	171.4	0	0	0	0	111.2	R655 D967 A968	R655-S965 VanDerWaalsContact NH2-CB 3.32Å; R655-S965 PolarHBondContact NH2-O 3.05Å; R655-S965 PolarHBondContact NH2-OG 2.9Å; S965-D967 VanDerWaalsContact C-N 3.31Å; S965-D967 PolarHBondContact O-N 2.86Å; S965-D967 VanDerWaalsContact O-N 3.14Å; S965-D967 PolarHBondContact OG-OD1 3.37Å; S965-A968 WeakPolarHBondContact O-CB 3.32Å; S965-A968 PolarHBondContact O-N 3.22Å
966	P	91.6	Very high	90.1	Very high	4 Å²	4	43.7 Å²	43.7	3%	0.026	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-49.1	-37.8	-173	-37.7	40.8	0	0	0	117.4	R544 F564 S708 F962 A968 F969 I997	R544-P966 PolarHBondContact NH1-O 3.13Å; F564-P966 HydrophobicContact CE1-CB 3.54Å; F564-P966 HydrophobicContact CE1-CG 3.48Å; F564-P966 VanDerWaalsContact CE1-CG 3.48Å; F564-P966 HydrophobicContact CZ-CB 3.58Å; F564-P966 HydrophobicContact CZ-CG 4.03Å; S708-P966 WeakPolarHBondContact O-CD 3.31Å; S708-P966 WeakPolarHBondContact O-CG 3.06Å; F962-P966 HydrophobicContact CB-CG 4.49Å; F962-P966 HydrophobicContact CD2-CG 3.44Å; F962-P966 VanDerWaalsContact CD2-CG 3.44Å; F962-P966 HydrophobicContact CE2-CG 3.73Å; F962-P966 HydrophobicContact CG-CG 3.92Å; F962-P966 HydrophobicContact CZ-CG 4.43Å; P966-A968 PolarHBondContact O-N 3.27Å; P966-F969 PolarHBondContact O-N 3.06Å; P966-I997 HydrophobicContact CB-CD1 3.55Å; P966-I997 HydrophobicContact CB-CG1 4.44Å; P966-I997 HydrophobicContact CG-CD1 4.15Å
967	D	88.1	Confident	89.7	Confident	7 Å²	7	48.8 Å²	48.8	4%	0.037	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-71.2	-9.8	179.3	58.4	-64	0	0	0	112.5	I654 R655 I681 S708 S965 F969 G970	I654-D967 HydrophobicContact CG2-CB 4.45Å; I654-D967 VanDerWaalsContact CG2-OD2 3.3Å; I654-D967 WeakPolarHBondContact CG2-OD2 3.2Å; R655-D967 IonicContact CZ-OD1 3.62Å; R655-D967 IonicContact CZ-OD2 3.01Å; R655-D967 IonicContact NE-OD2 2.67Å; R655-D967 PolarHBondContact NE-OD2 3.37Å; R655-D967 IonicContact NH2-OD1 2.72Å; R655-D967 PolarHBondContact NH2-OD1 3.09Å; R655-D967 IonicContact NH2-OD2 3.64Å; R655-D967 PolarHBondContact NH2-OD2 3.01Å; I681-D967 WeakPolarHBondContact CD1-O 3.49Å; S708-D967 VanDerWaalsContact CB-OD1 3.25Å; S708-D967 WeakPolarHBondContact CB-OD1 3.12Å; S965-D967 VanDerWaalsContact C-N 3.31Å; S965-D967 PolarHBondContact O-N 2.86Å; S965-D967 VanDerWaalsContact O-N 3.14Å; S965-D967 PolarHBondContact OG-OD1 3.37Å; D967-F969 PolarHBondContact O-N 3.14Å; D967-G970 PolarHBondContact O-N 3.38Å
968	A	87.8	Confident	89.2	Confident	19 Å²	19	47 Å²	47	16%	0.157	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-63.7	-24.5	170.5	0	0	0	0	0	112.9	R655 S965 P966 G970 R973	R655-A968 VanDerWaalsContact CZ-CA 3.47Å; R655-A968 VanDerWaalsContact CZ-N 3.27Å; S965-A968 WeakPolarHBondContact O-CB 3.32Å; S965-A968 PolarHBondContact O-N 3.22Å; P966-A968 PolarHBondContact O-N 3.27Å; A968-G970 VanDerWaalsContact C-N 3.31Å; A968-R973 WeakPolarHBondContact O-CD 3.45Å; A968-R973 PolarHBondContact O-NH1 3.35Å
969	F	87.1	Confident	88.7	Confident	28 Å²	28	47.6 Å²	47.6	12%	0.123	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-97.7	11.7	177.8	-59.9	-80.5	0	0	0	111	R544 Y964 P966 D967 E995 I997 P998	R544-F969 PolarHBondContact NH2-O 2.9Å; Y964-F969 HydrophobicContact CD2-CE2 4.34Å; Y964-F969 AromaticContact CD2-CZ 3.85Å; Y964-F969 HydrophobicContact CD2-CZ 3.85Å; Y964-F969 HydrophobicContact CG-CZ 4.44Å; P966-F969 PolarHBondContact O-N 3.06Å; D967-F969 PolarHBondContact O-N 3.14Å; F969-E995 HydrophobicContact CB-CB 3.99Å; F969-E995 HydrophobicContact CD1-CB 3.87Å; F969-E995 WeakPolarHBondContact CD1-OE2 3.44Å; F969-E995 HydrophobicContact CG-CB 4.42Å; F969-E995 PolarHBondContact O-N 3.27Å; F969-I997 HydrophobicContact CB-CG1 4.2Å; F969-I997 HydrophobicContact CD2-CB 4.33Å; F969-I997 HydrophobicContact CD2-CG1 3.98Å; F969-I997 HydrophobicContact CD2-CG2 4.09Å; F969-I997 HydrophobicContact CE2-CG2 4.12Å; F969-I997 HydrophobicContact CG-CG1 4.29Å; F969-P998 HydrophobicContact CE1-CG 4.41Å; F969-P998 HydrophobicContact CE2-CG 4.22Å; F969-P998 HydrophobicContact CZ-CG 3.69Å
970	G	82.7	Confident	88.4	Confident	9 Å²	9	49.8 Å²	49.8	9%	0.093	25%	0.249	C	C	.	.			trans	-67.1	144.1	170.2	0	0	0	0	0	110.2	D967 A968 R973	D967-G970 PolarHBondContact O-N 3.38Å; A968-G970 VanDerWaalsContact C-N 3.31Å; G970-R973 WeakPolarHBondContact O-CG 3.29Å; G970-R973 PolarHBondContact O-NE 3.39Å
971	C	79.2	Confident	88.3	Confident	39 Å²	39	51.6 Å²	51.6	26%	0.264	26%	0.256	S	S	.	.	S	Bend	trans	-84.9	-15	-173.5	74.2	0	0	0	0	113.3	R973 C992 Q993	C971-R973 VanDerWaalsContact C-N 3.26Å; C971-R973 PolarHBondContact O-N 2.91Å; C971-C992 HydrophobicContact CB-CB 3.39Å; C971-C992 WeakPolarHBondContact CB-SG 3.16Å; C971-C992 VanDerWaalsContact SG-C 3.53Å; C971-C992 WeakPolarHBondContact SG-CB 3.5Å; C971-C992 PolarHBondContact SG-O 3.27Å; C971-C992 VanDerWaalsContact SG-O 3.37Å; C971-C992 CovalentContact SG-SG 2.03Å; C971-C992 PolarHBondContact SG-SG 3.39Å; C971-Q993 VanDerWaalsContact CB-O 3.24Å; C971-Q993 WeakPolarHBondContact CB-O 3.43Å
972	N	81.4	Confident	88.1	Confident	37 Å²	37	54.4 Å²	54.4	20%	0.198	27%	0.267	C	S	.	.			trans	-89.1	39	178.2	55	0.7	0	0	0	113.4	I681 T682 I988	I681-N972 VanDerWaalsContact CG2-OD1 3.24Å; I681-N972 WeakPolarHBondContact CG2-OD1 3.28Å; T682-N972 PolarHBondContact O-ND2 3.38Å; T682-N972 PolarHBondContact O-OD1 3.32Å; N972-I988 HydrophobicContact CB-CD1 4.35Å; N972-I988 HydrophobicContact CB-CG2 4.03Å
973	R	86.1	Confident	87.9	Confident	103 Å²	103	59.3 Å²	59.3	39%	0.389	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	137.5	174.1	-73.8	174	-60.2	-161.1	8.1	111	I681 A968 G970 C971 E995	I681-R973 HydrophobicContact CD1-CG 3.48Å; I681-R973 VanDerWaalsContact CD1-CG 3.48Å; I681-R973 HydrophobicContact CG1-CB 4.47Å; I681-R973 HydrophobicContact CG1-CG 3.79Å; A968-R973 WeakPolarHBondContact O-CD 3.45Å; A968-R973 PolarHBondContact O-NH1 3.35Å; G970-R973 WeakPolarHBondContact O-CG 3.29Å; G970-R973 PolarHBondContact O-NE 3.39Å; C971-R973 VanDerWaalsContact C-N 3.26Å; C971-R973 PolarHBondContact O-N 2.91Å; R973-E995 IonicContact CZ-OE1 3.62Å; R973-E995 IonicContact CZ-OE2 2.82Å; R973-E995 IonicContact NH1-OE1 2.92Å; R973-E995 IonicContact NH1-OE2 2.66Å; R973-E995 PolarHBondContact NH1-OE2 3.3Å; R973-E995 VanDerWaalsContact NH2-CD 3.33Å; R973-E995 IonicContact NH2-OE1 3.47Å; R973-E995 PolarHBondContact NH2-OE1 3.35Å; R973-E995 IonicContact NH2-OE2 2.77Å; R973-E995 PolarHBondContact NH2-OE2 2.99Å
974	F	88.9	Confident	87.9	Confident	31 Å²	31	60.6 Å²	60.6	14%	0.136	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.2	168.3	178.1	-129.6	0	0	0	110.4	H679 G680 T976 W982 P986	H679-F974 CarbonylContact C-O 3.5Å; H679-F974 VanDerWaalsContact CA-O 3.27Å; H679-F974 WeakPolarHBondContact CA-O 3.29Å; H679-F974 PolarHBondContact CD2-O 3.41Å; G680-F974 PolarHBondContact N-O 3.22Å; G680-F974 PolarHBondContact O-N 3.27Å; F974-T976 HydrophobicContact CE1-CG2 3.71Å; F974-T976 HydrophobicContact CE2-CG2 4.16Å; F974-T976 HydrophobicContact CZ-CG2 3.43Å; F974-T976 VanDerWaalsContact CZ-CG2 3.43Å; F974-W982 HydrophobicContact CD1-CE3 4.15Å; F974-W982 HydrophobicContact CD1-CZ3 4.2Å; F974-W982 AromaticContact CE1-CE3 3.7Å; F974-W982 HydrophobicContact CE1-CE3 3.7Å; F974-W982 HydrophobicContact CE1-CZ3 4.21Å; F974-P986 HydrophobicContact CB-CB 3.76Å; F974-P986 HydrophobicContact CB-CG 4.43Å; F974-P986 HydrophobicContact CD1-CB 3.91Å; F974-P986 HydrophobicContact CD1-CG 4.43Å; F974-P986 HydrophobicContact CD2-CB 3.34Å; F974-P986 HydrophobicContact CE1-CB 4.25Å; F974-P986 HydrophobicContact CE2-CB 3.74Å; F974-P986 HydrophobicContact CG-CB 3.42Å; F974-P986 VanDerWaalsContact CG-CB 3.42Å; F974-P986 HydrophobicContact CG-CG 4.29Å; F974-P986 HydrophobicContact CZ-CB 4.16Å
975	Y	90.7	Very high	87.8	Confident	126 Å²	126	54.5 Å²	54.5	49%	0.494	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	136.4	172.5	175.7	-89.6	0	0	0	108.4	F677 G678 H679 E977	F677-Y975 HydrophobicContact CB-CE2 3.62Å; F677-Y975 HydrophobicContact CD2-CD2 4.27Å; F677-Y975 AromaticContact CD2-CE2 3.78Å; F677-Y975 HydrophobicContact CD2-CE2 3.78Å; F677-Y975 AromaticContact CG-CE2 3.92Å; F677-Y975 HydrophobicContact CG-CE2 3.92Å; G678-Y975 WeakPolarHBondContact O-CA 3.36Å; H679-Y975 HydrophobicContact CB-CD2 4.48Å; Y975-E977 HydrophobicContact CE1-CG 4.05Å; Y975-E977 PolarHBondContact OH-OE1 3.33Å; Y975-E977 VanDerWaalsContact OH-OE1 3.14Å
976	T	90.6	Very high	87.4	Confident	4 Å²	4	54.5 Å²	54.5	3%	0.025	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	147.2	173.7	-176	0	0	0	0	111.3	T675 F677 G678 F974 S978 E981 W982	T675-T976 PolarHBondContact OG1-O 3.37Å; F677-T976 CarbonylContact C-O 3.55Å; F677-T976 WeakPolarHBondContact CA-O 3.19Å; G678-T976 PolarHBondContact N-O 2.72Å; G678-T976 PolarHBondContact O-N 3.18Å; F974-T976 HydrophobicContact CE1-CG2 3.71Å; F974-T976 HydrophobicContact CE2-CG2 4.16Å; F974-T976 HydrophobicContact CZ-CG2 3.43Å; F974-T976 VanDerWaalsContact CZ-CG2 3.43Å; T976-S978 PolarHBondContact OG1-N 3.12Å; T976-S978 PolarHBondContact OG1-O 2.78Å; T976-E981 WeakPolarHBondContact CB-OE2 2.9Å; T976-E981 HydrophobicContact CG2-CB 4.28Å; T976-E981 WeakPolarHBondContact OG1-CB 3.48Å; T976-E981 PolarHBondContact OG1-OE2 3.06Å; T976-W982 HydrophobicContact CG2-CB 3.91Å; T976-W982 HydrophobicContact CG2-CE3 4.18Å
977	E	89.3	Confident	86.7	Confident	111 Å²	111	62.8 Å²	62.8	52%	0.519	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-3.4	168	-60.3	177.9	167.6	0	0	111.4	T675 Y975	T675-E977 PolarHBondContact N-O 3.07Å; T675-E977 VanDerWaalsContact OG1-C 3.28Å; T675-E977 WeakPolarHBondContact OG1-CA 3.36Å; T675-E977 PolarHBondContact OG1-O 2.6Å; Y975-E977 HydrophobicContact CE1-CG 4.05Å; Y975-E977 PolarHBondContact OH-OE1 3.33Å; Y975-E977 VanDerWaalsContact OH-OE1 3.14Å
978	S	88.3	Confident	85.9	Confident	30 Å²	30	65.7 Å²	65.7	21%	0.21	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	120.6	-179.3	170.7	0	0	0	0	110.1	T976 N980 E981 W982	T976-S978 PolarHBondContact OG1-N 3.12Å; T976-S978 PolarHBondContact OG1-O 2.78Å; S978-N980 PolarHBondContact O-N 3.01Å; S978-N980 PolarHBondContact OG-N 3.43Å; S978-E981 PolarHBondContact O-N 2.68Å; S978-E981 PolarHBondContact OG-N 3.08Å; S978-E981 VanDerWaalsContact OG-N 3.15Å; S978-W982 PolarHBondContact O-N 2.48Å
979	L	86.2	Confident	85	Confident	44 Å²	44	73.2 Å²	73.2	23%	0.23	36%	0.364	C	S	.	.	H	α-helix	trans	-61.2	-36.4	173.5	-178.7	62.9	0	0	0	110.8	F658 A672 T675 W982 I983	F658-L979 HydrophobicContact CE2-CD1 4.06Å; F658-L979 HydrophobicContact CZ-CD1 3.9Å; A672-L979 WeakPolarHBondContact O-CD2 3.37Å; T675-L979 HydrophobicContact CG2-CB 4.03Å; T675-L979 HydrophobicContact CG2-CD1 3.88Å; L979-W982 PolarHBondContact O-N 3.25Å; L979-I983 HydrophobicContact CD1-CD1 4.1Å; L979-I983 HydrophobicContact CD1-CG1 4.25Å; L979-I983 HydrophobicContact CD2-CD1 4.27Å; L979-I983 HydrophobicContact CG-CD1 3.76Å; L979-I983 HydrophobicContact CG-CG1 4.34Å; L979-I983 WeakPolarHBondContact O-CB 3.49Å; L979-I983 VanDerWaalsContact O-CG1 3.24Å; L979-I983 WeakPolarHBondContact O-CG1 3.47Å; L979-I983 PolarHBondContact O-N 3.48Å
980	N	89.1	Confident	83.8	Confident	106 Å²	106	81.4 Å²	81.4	57%	0.567	40%	0.403	S	S	*	.	H	α-helix	trans	-63.6	-46	178	-173.8	66.6	0	0	0	111.5	S978 W982 I983 T984	S978-N980 PolarHBondContact O-N 3.01Å; S978-N980 PolarHBondContact OG-N 3.43Å; N980-W982 VanDerWaalsContact C-N 3.33Å; N980-W982 PolarHBondContact O-N 3.41Å; N980-I983 PolarHBondContact O-N 2.88Å; N980-T984 WeakPolarHBondContact O-CG2 3.14Å; N980-T984 PolarHBondContact O-N 3.31Å; N980-T984 PolarHBondContact O-OG1 2.76Å
981	E	90.5	Very high	82.9	Confident	96 Å²	96	89.7 Å²	89.7	45%	0.449	44%	0.439	S	S	.	.	H	α-helix	trans	-63.3	-40.3	177	-71.8	179.2	179.3	0	0	111.9	T976 S978 I983 T984 G985	T976-E981 WeakPolarHBondContact CB-OE2 2.9Å; T976-E981 HydrophobicContact CG2-CB 4.28Å; T976-E981 WeakPolarHBondContact OG1-CB 3.48Å; T976-E981 PolarHBondContact OG1-OE2 3.06Å; S978-E981 PolarHBondContact O-N 2.68Å; S978-E981 PolarHBondContact OG-N 3.08Å; S978-E981 VanDerWaalsContact OG-N 3.15Å; E981-I983 PolarHBondContact O-N 3.06Å; E981-T984 WeakPolarHBondContact CA-OG1 3.22Å; E981-T984 PolarHBondContact O-N 3.43Å; E981-T984 PolarHBondContact O-OG1 3.44Å; E981-G985 CarbonylContact O-C 3.59Å; E981-G985 PolarHBondContact O-N 2.82Å
982	W	89.4	Confident	82.6	Confident	59 Å²	59	90.4 Å²	90.4	22%	0.223	44%	0.444	C	S	.	.	H	α-helix	trans	-60.2	-45	174.9	180	-93.3	0	0	0	112.1	F658 F974 T976 S978 L979 N980 G985	F658-W982 HydrophobicContact CB-CZ2 4.18Å; F658-W982 AromaticContact CD2-CD1 3.86Å; F658-W982 AromaticContact CD2-CD2 3.79Å; F658-W982 HydrophobicContact CD2-CD2 3.79Å; F658-W982 AromaticContact CD2-CE2 3.48Å; F658-W982 VanDerWaalsContact CD2-CE2 3.48Å; F658-W982 HydrophobicContact CD2-CE3 4.44Å; F658-W982 HydrophobicContact CD2-CG 4.03Å; F658-W982 AromaticContact CD2-CZ2 3.9Å; F658-W982 HydrophobicContact CD2-CZ2 3.9Å; F658-W982 AromaticContact CD2-NE1 3.51Å; F658-W982 AromaticContact CE2-CD1 3.59Å; F658-W982 HydrophobicContact CE2-CD2 4.15Å; F658-W982 AromaticContact CE2-CG 3.88Å; F658-W982 HydrophobicContact CE2-CG 3.88Å; F658-W982 AromaticContact CE2-NE1 3.69Å; F658-W982 HydrophobicContact CG-CZ2 4.48Å; F974-W982 HydrophobicContact CD1-CE3 4.15Å; F974-W982 HydrophobicContact CD1-CZ3 4.2Å; F974-W982 AromaticContact CE1-CE3 3.7Å; F974-W982 HydrophobicContact CE1-CE3 3.7Å; F974-W982 HydrophobicContact CE1-CZ3 4.21Å; T976-W982 HydrophobicContact CG2-CB 3.91Å; T976-W982 HydrophobicContact CG2-CE3 4.18Å; S978-W982 PolarHBondContact O-N 2.48Å; L979-W982 PolarHBondContact O-N 3.25Å; N980-W982 VanDerWaalsContact C-N 3.33Å; N980-W982 PolarHBondContact O-N 3.41Å; W982-G985 PolarHBondContact O-N 2.86Å
983	I	89.6	Confident	82	Confident	121 Å²	121	97.5 Å²	97.5	62%	0.621	48%	0.476	S	S	*	.	H	α-helix	trans	-66	-44.1	177.9	-70.8	169.3	0	0	0	111.2	L979 N980 E981 G985	L979-I983 HydrophobicContact CD1-CD1 4.1Å; L979-I983 HydrophobicContact CD1-CG1 4.25Å; L979-I983 HydrophobicContact CD2-CD1 4.27Å; L979-I983 HydrophobicContact CG-CD1 3.76Å; L979-I983 HydrophobicContact CG-CG1 4.34Å; L979-I983 WeakPolarHBondContact O-CB 3.49Å; L979-I983 VanDerWaalsContact O-CG1 3.24Å; L979-I983 WeakPolarHBondContact O-CG1 3.47Å; L979-I983 PolarHBondContact O-N 3.48Å; N980-I983 PolarHBondContact O-N 2.88Å; E981-I983 PolarHBondContact O-N 3.06Å; I983-G985 PolarHBondContact O-N 3.2Å
984	T	90.8	Very high	81.5	Confident	89 Å²	89	96.6 Å²	96.6	55%	0.546	48%	0.477	S	S	.	.	H	α-helix	trans	-72.9	-15.7	179.5	56.8	0	0	0	0	112.9	N980 E981	N980-T984 WeakPolarHBondContact O-CG2 3.14Å; N980-T984 PolarHBondContact O-N 3.31Å; N980-T984 PolarHBondContact O-OG1 2.76Å; E981-T984 WeakPolarHBondContact CA-OG1 3.22Å; E981-T984 PolarHBondContact O-N 3.43Å; E981-T984 PolarHBondContact O-OG1 3.44Å
985	G	86.8	Confident	81.1	Confident	22 Å²	22	98.9 Å²	98.9	23%	0.227	49%	0.488	C	S	.	.			trans	83.8	166.6	-179.3	0	0	0	0	0	113.7	E981 W982 I983	E981-G985 CarbonylContact O-C 3.59Å; E981-G985 PolarHBondContact O-N 2.82Å; W982-G985 PolarHBondContact O-N 2.86Å; I983-G985 PolarHBondContact O-N 3.2Å
986	P	81.3	Confident	80.7	Confident	60 Å²	60	98.4 Å²	98.4	39%	0.39	50%	0.501	S	S	.	.			trans	-73.9	134	-173.2	32.3	-38.4	0	0	0	113.1	F974 I988	F974-P986 HydrophobicContact CB-CB 3.76Å; F974-P986 HydrophobicContact CB-CG 4.43Å; F974-P986 HydrophobicContact CD1-CB 3.91Å; F974-P986 HydrophobicContact CD1-CG 4.43Å; F974-P986 HydrophobicContact CD2-CB 3.34Å; F974-P986 HydrophobicContact CE1-CB 4.25Å; F974-P986 HydrophobicContact CE2-CB 3.74Å; F974-P986 HydrophobicContact CG-CB 3.42Å; F974-P986 VanDerWaalsContact CG-CB 3.42Å; F974-P986 HydrophobicContact CG-CG 4.29Å; F974-P986 HydrophobicContact CZ-CB 4.16Å; P986-I988 VanDerWaalsContact C-N 3.3Å; P986-I988 HydrophobicContact CB-CD1 4.09Å; P986-I988 HydrophobicContact CB-CG1 3.61Å; P986-I988 HydrophobicContact CG-CD1 3.92Å; P986-I988 HydrophobicContact CG-CG1 3.9Å; P986-I988 PolarHBondContact O-N 3.19Å
987	Q	77.3	Confident	80.4	Confident	178 Å²	178	99.5 Å²	99.5	83%	0.832	51%	0.506	S	S	*	.			trans	-86	70.4	165.8	-60.8	-63.5	-27.7	0	0	109.6	K989	Q987-K989 PolarHBondContact O-N 2.81Å
988	I	71.2	Confident	80	Confident	68 Å²	68	96.7 Å²	96.7	35%	0.349	50%	0.498	S	S	.	.			trans	-72.9	124.1	-178.5	-51.1	-176.6	0	0	0	109.1	N972 P986	N972-I988 HydrophobicContact CB-CD1 4.35Å; N972-I988 HydrophobicContact CB-CG2 4.03Å; P986-I988 VanDerWaalsContact C-N 3.3Å; P986-I988 HydrophobicContact CB-CD1 4.09Å; P986-I988 HydrophobicContact CB-CG1 3.61Å; P986-I988 HydrophobicContact CG-CD1 3.92Å; P986-I988 HydrophobicContact CG-CG1 3.9Å; P986-I988 PolarHBondContact O-N 3.19Å
989	K	68.5	Low	79.6	Confident	176 Å²	176	99.3 Å²	99.3	77%	0.765	51%	0.507	S	S	*	.			trans	-65.9	136.2	171.7	-67.2	-177	179	-179.9	0	109.9	Q987 E991	Q987-K989 PolarHBondContact O-N 2.81Å; K989-E991 VanDerWaalsContact C-N 3.3Å; K989-E991 PolarHBondContact O-N 3.21Å
990	E	61.3	Low	79.3	Confident	201 Å²	201	102.3 Å²	102.3	94%	0.939	52%	0.523	S	S	*	.	S	Bend	trans	-66.2	-32.5	179.6	-66.4	-174.2	163	0	0	112.6
991	E	65.5	Low	78.8	Confident	182 Å²	182	102.2 Å²	102.2	85%	0.85	52%	0.521	S	S	*	.			trans	-97.8	110.2	178.2	-65.7	-179.4	-178.1	0	0	110.4	K989	K989-E991 VanDerWaalsContact C-N 3.3Å; K989-E991 PolarHBondContact O-N 3.21Å
992	C	71.4	Confident	78.2	Confident	55 Å²	55	102.5 Å²	102.5	37%	0.372	53%	0.525	S	S	.	.			trans	-143.3	145.6	172.9	59.3	0	0	0	0	111.7	C971	C971-C992 HydrophobicContact CB-CB 3.39Å; C971-C992 WeakPolarHBondContact CB-SG 3.16Å; C971-C992 VanDerWaalsContact SG-C 3.53Å; C971-C992 WeakPolarHBondContact SG-CB 3.5Å; C971-C992 PolarHBondContact SG-O 3.27Å; C971-C992 VanDerWaalsContact SG-O 3.37Å; C971-C992 CovalentContact SG-SG 2.03Å; C971-C992 PolarHBondContact SG-SG 3.39Å
993	Q	70	Confident	77.6	Confident	186 Å²	186	104.9 Å²	104.9	87%	0.869	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-93.2	136.8	177.5	-70	-176.1	-11.4	0	0	109.9	C971	C971-Q993 VanDerWaalsContact CB-O 3.24Å; C971-Q993 WeakPolarHBondContact CB-O 3.43Å
994	M	75.1	Confident	76.9	Confident	84 Å²	84	103.9 Å²	103.9	41%	0.414	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-76.4	142.9	174.2	-65.9	-151.9	-50.6	0	0	112	D543 R544	D543-M994 WeakPolarHBondContact OD1-CE 3.46Å; R544-M994 HydrophobicContact CG-CE 3.61Å
995	E	80.4	Confident	76	Confident	78 Å²	78	104.9 Å²	104.9	36%	0.364	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-80.5	148.9	171.5	-71.7	167.7	-173.6	0	0	110.7	R544 F969 R973	R544-E995 PolarHBondContact NH2-O 2.9Å; F969-E995 HydrophobicContact CB-CB 3.99Å; F969-E995 HydrophobicContact CD1-CB 3.87Å; F969-E995 WeakPolarHBondContact CD1-OE2 3.44Å; F969-E995 HydrophobicContact CG-CB 4.42Å; F969-E995 PolarHBondContact O-N 3.27Å; R973-E995 IonicContact CZ-OE1 3.62Å; R973-E995 IonicContact CZ-OE2 2.82Å; R973-E995 IonicContact NH1-OE1 2.92Å; R973-E995 IonicContact NH1-OE2 2.66Å; R973-E995 PolarHBondContact NH1-OE2 3.3Å; R973-E995 VanDerWaalsContact NH2-CD 3.33Å; R973-E995 IonicContact NH2-OE1 3.47Å; R973-E995 PolarHBondContact NH2-OE1 3.35Å; R973-E995 IonicContact NH2-OE2 2.77Å; R973-E995 PolarHBondContact NH2-OE2 2.99Å
996	P	82.4	Confident	75.3	Confident	116 Å²	116	110.4 Å²	110.4	75%	0.753	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-65.6	142	170.5	28.6	-33.6	0	0	0	110.3
997	I	83	Confident	74.8	Confident	28 Å²	28	114 Å²	114	14%	0.144	57%	0.569	C	S	.	*	P	Polyproline II helix	trans	-91.8	121.9	177.5	-55.8	162.8	0	0	0	109.2	R544 F564 A565 F962 P966 F969 M999	R544-I997 VanDerWaalsContact CZ-CD1 3.47Å; F564-I997 HydrophobicContact CE1-CD1 4.09Å; F564-I997 HydrophobicContact CZ-CD1 4.3Å; A565-I997 HydrophobicContact CB-CD1 3.84Å; F962-I997 HydrophobicContact CB-CG2 4.12Å; F962-I997 HydrophobicContact CD1-CG2 3.52Å; F962-I997 HydrophobicContact CE1-CG2 4.22Å; F962-I997 HydrophobicContact CG-CG2 3.99Å; P966-I997 HydrophobicContact CB-CD1 3.55Å; P966-I997 HydrophobicContact CB-CG1 4.44Å; P966-I997 HydrophobicContact CG-CD1 4.15Å; F969-I997 HydrophobicContact CB-CG1 4.2Å; F969-I997 HydrophobicContact CD2-CB 4.33Å; F969-I997 HydrophobicContact CD2-CG1 3.98Å; F969-I997 HydrophobicContact CD2-CG2 4.09Å; F969-I997 HydrophobicContact CE2-CG2 4.12Å; F969-I997 HydrophobicContact CG-CG1 4.29Å; I997-M999 PolarHBondContact O-N 3.44Å
998	P	82.7	Confident	74.6	Confident	52 Å²	52	109.1 Å²	109.1	34%	0.338	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-69.6	122.5	169.2	29.4	-32.2	0	0	0	110.4	T963 Y964 F969	T963-P998 PolarHBondContact N-O 2.95Å; T963-P998 PolarHBondContact OG1-O 3.23Å; Y964-P998 HydrophobicContact CD2-CG 4.47Å; F969-P998 HydrophobicContact CE1-CG 4.41Å; F969-P998 HydrophobicContact CE2-CG 4.22Å; F969-P998 HydrophobicContact CZ-CG 3.69Å
999	M	80	Confident	74.9	Confident	84 Å²	84	112.5 Å²	112.5	41%	0.414	57%	0.566	S	S	.	*	B	Isolated β-bridge	trans	-75.4	147	167.3	-165.7	-179.3	57.7	0	0	109.4	V567 L961 I997	V567-M999 HydrophobicContact CG2-SD 3.81Å; L961-M999 WeakPolarHBondContact O-CG 3.33Å; I997-M999 PolarHBondContact O-N 3.44Å
1000	L	78.7	Confident	75.5	Confident	108 Å²	108	106.7 Å²	106.7	57%	0.565	55%	0.548	S	S	*	.			trans	-64.4	0	176.5	-164.2	81.4	0	0	0	112.3	K853 N960 L961	K853-L1000 WeakPolarHBondContact CE-O 3.49Å; K853-L1000 PolarHBondContact NZ-O 3.44Å; N960-L1000 HydrophobicContact CB-CD2 4.27Å; N960-L1000 VanDerWaalsContact O-CD2 3.25Å; N960-L1000 WeakPolarHBondContact O-CD2 3.13Å; L961-L1000 PolarHBondContact O-N 2.72Å

Retrieved 1,000 of 1,000 residues in 1798.7 ms (Link to these results)

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