A0A096NCU7_PAPAN Loading...

SLIT and NTRK like family member 6

AlphaFold DB , UniProt , Accession A0A096NCU7, Species PAPAN (Papio anubis, Olive baboon), Gene SLITRK6, Length 841 aa.

						>A0A096NCU7_PAPAN|A0A096NCU7|SLITRK6
MKLWIHLFYSSLLACMSLQSQTPVFSVRSSCDSLCNCEEKDGTMLINCEEKGIKTVSEISVPPSRPFQLSLLNNGLTMLHTNDFSGLTNAISIHLGFNNIADIEIGAFNGLGLLKQLHINHNSLEILKEDTFHGLENLEFLQADNNFITVIEPSAFSKLNRLKVLILNDNAIESLPPNIFRFVPLTHLDLRGNQLQTLPYVGFLEHIGRILDLQLEDNKWACNCDLLQLKTWLENMPPQSIIGDVVCNSPPFFKGSVLSRLKKESICPTPPVYEEHEDPSGSLHLAATSSINDSRMSTKTTSILKPPTKAPRLIPYITKPSTQLPGPYCPIPCNCKVLSPSGLLIHCQERNIESLSDLRPPPQNPRKLILAGNIIHSLMKSDLVEYFTLEMLHLGNNRIEVLEEGSFMNLTRLQKLYLNGNHLTKLSKGMFLGLHNLEYLYLEYNAIKEILPETFNPMPKLKVLYLNNNLLQVLPPHIFSGVPLTKVNLKTNQFTHLPVSNILDDLDLLTQIDLEDNPWDCSCDLVGLQQWIQKLSKNTVTDDILCTSPRHLDKKELKALNSELLCPGLVNNPSMPTQTSYIIVTTPTTTTNTADTILRSLTDAVPLSVLILGLLIVFITIVFCAAGIVVLVLHRRRRYKKKQVDEQMRDNSPVHLQYSMYGHKTTHHTTERPSASLYEQHMVSPMVHVYRSPSFGPKHLEEEEEGNEKEGSDAKHLQRSLLERENHSPLTGSNMKYKTTNQSTEFLSFQDASSLYRNILEKERELQQLGITEYLRKNIAQLQPDMEAHYPGAHEELKLMETLMYSRPRKVLVEQTKNEYFELKANLHAEPDYLEVLEQQT
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.3	Low	45.7	Very low	227 Å²	227	141.2 Å²	141.2	100%	1.118	67%	0.673	S	S	*	*				0	-12	0	-130.9	170.1	-164.8	0	0	115.9
2	K	46.6	Very low	45.4	Very low	179 Å²	179	138.3 Å²	138.3	78%	0.778	66%	0.664	S	S	*	*			trans	-90.2	-20	178.2	-71.8	-171.1	174.6	-175.4	0	116
3	L	44.1	Very low	45	Very low	142 Å²	142	136.8 Å²	136.8	74%	0.743	66%	0.66	S	S	*	*	H	α-helix	trans	-74.4	-33.4	-173.6	-144.6	74	0	0	0	114.2	I5	L3-I5 VanDerWaalsContact C-N 3.33Å; L3-I5 PolarHBondContact O-N 3.45Å
4	W	41.8	Very low	44.4	Very low	209 Å²	209	131.4 Å²	131.4	79%	0.792	65%	0.65	S	S	*	*	H	α-helix	trans	-69	-27.4	178.1	-89	29.1	0	0	0	113.7	L7 F8	W4-L7 PolarHBondContact O-N 2.94Å; W4-F8 PolarHBondContact O-N 3.36Å
5	I	51.6	Low	43.7	Very low	103 Å²	103	129.5 Å²	129.5	53%	0.528	65%	0.652	S	S	.	*	H	α-helix	trans	-69.3	-39	-177.5	-60.8	174.5	0	0	0	110.7	L3 F8 Y9	L3-I5 VanDerWaalsContact C-N 3.33Å; L3-I5 PolarHBondContact O-N 3.45Å; I5-F8 PolarHBondContact O-N 2.8Å; I5-Y9 HydrophobicContact CG2-CD2 4.4Å; I5-Y9 PolarHBondContact O-N 3.04Å; I5-Y9 VanDerWaalsContact O-N 3.08Å
6	H	47.5	Very low	43.2	Very low	142 Å²	142	130.2 Å²	130.2	66%	0.657	66%	0.655	S	S	*	*	H	α-helix	trans	-68.5	-36.3	177.7	-77.4	-73.8	0	0	0	113.1	F8 Y9 S10	H6-F8 VanDerWaalsContact C-N 3.34Å; H6-F8 PolarHBondContact O-N 3.16Å; H6-Y9 PolarHBondContact O-N 3.25Å; H6-S10 PolarHBondContact O-N 3.44Å; H6-S10 PolarHBondContact O-OG 3.49Å; H6-S10 VanDerWaalsContact O-OG 3.13Å
7	L	46	Very low	42.8	Very low	114 Å²	114	127.6 Å²	127.6	60%	0.597	65%	0.652	S	S	*	*	H	α-helix	trans	-67.2	-32.9	176.6	-77.4	164.6	0	0	0	112.8	W4 S10 S11	W4-L7 PolarHBondContact O-N 2.94Å; L7-S10 PolarHBondContact O-OG 2.95Å; L7-S10 VanDerWaalsContact O-OG 3.04Å; L7-S11 PolarHBondContact O-OG 3.19Å
8	F	46	Very low	42.4	Very low	145 Å²	145	129.1 Å²	129.1	64%	0.636	66%	0.661	S	S	*	*	H	α-helix	trans	-74.3	-33.8	172.5	-111.8	-87.6	0	0	0	113.1	W4 I5 H6 S11 L12	W4-F8 PolarHBondContact O-N 3.36Å; I5-F8 PolarHBondContact O-N 2.8Å; H6-F8 VanDerWaalsContact C-N 3.34Å; H6-F8 PolarHBondContact O-N 3.16Å; F8-S11 PolarHBondContact O-OG 3.24Å; F8-S11 VanDerWaalsContact O-OG 3.09Å; F8-L12 PolarHBondContact O-N 2.93Å
9	Y	43.9	Very low	41.9	Very low	159 Å²	159	131.1 Å²	131.1	62%	0.624	67%	0.667	S	S	*	*	H	α-helix	trans	-70.3	-36.2	176.1	-107.9	-94.5	0	0	0	112.8	I5 H6 L13	I5-Y9 HydrophobicContact CG2-CD2 4.4Å; I5-Y9 PolarHBondContact O-N 3.04Å; I5-Y9 VanDerWaalsContact O-N 3.08Å; H6-Y9 PolarHBondContact O-N 3.25Å; Y9-L13 PolarHBondContact O-N 2.95Å
10	S	43.1	Very low	41.3	Very low	68 Å²	68	129.4 Å²	129.4	48%	0.476	67%	0.668	S	S	.	*	H	α-helix	trans	-69.5	-34.8	178.2	48.7	0	0	0	0	113.6	H6 L7 A14	H6-S10 PolarHBondContact O-N 3.44Å; H6-S10 PolarHBondContact O-OG 3.49Å; H6-S10 VanDerWaalsContact O-OG 3.13Å; L7-S10 PolarHBondContact O-OG 2.95Å; L7-S10 VanDerWaalsContact O-OG 3.04Å; S10-A14 WeakPolarHBondContact O-CB 3.49Å; S10-A14 PolarHBondContact O-N 2.74Å; S10-A14 VanDerWaalsContact O-N 3.14Å
11	S	42.3	Very low	40.7	Very low	65 Å²	65	132.5 Å²	132.5	46%	0.455	68%	0.679	S	S	.	*	H	α-helix	trans	-73.1	-37.5	177.1	55.3	0	0	0	0	112.4	L7 F8 A14 C15	L7-S11 PolarHBondContact O-OG 3.19Å; F8-S11 PolarHBondContact O-OG 3.24Å; F8-S11 VanDerWaalsContact O-OG 3.09Å; S11-A14 PolarHBondContact O-N 2.76Å; S11-C15 PolarHBondContact O-N 3.15Å; S11-C15 VanDerWaalsContact O-N 3.12Å
12	L	41.8	Very low	39.7	Very low	107 Å²	107	126.5 Å²	126.5	56%	0.56	66%	0.655	S	S	*	*	H	α-helix	trans	-63.8	-42	174.4	-87.5	160.2	0	0	0	112.5	F8 C15 M16	F8-L12 PolarHBondContact O-N 2.93Å; L12-C15 PolarHBondContact O-N 3.03Å; L12-M16 WeakPolarHBondContact O-CG 3.4Å; L12-M16 PolarHBondContact O-N 3.06Å
13	L	39.9	Very low	38.8	Very low	118 Å²	118	122.7 Å²	122.7	62%	0.618	65%	0.649	S	S	*	*	H	α-helix	trans	-69.7	-33.2	176.6	-80.3	163.3	0	0	0	113.3	Y9 C15 M16 S17	Y9-L13 PolarHBondContact O-N 2.95Å; L13-C15 VanDerWaalsContact C-N 3.31Å; L13-M16 PolarHBondContact O-N 3.01Å; L13-S17 PolarHBondContact O-OG 3.38Å
14	A	37.3	Very low	38.1	Very low	62 Å²	62	122.3 Å²	122.3	51%	0.512	65%	0.652	S	S	.	*	H	α-helix	trans	-68.9	-28.6	173.2	0	0	0	0	0	113.1	S10 S11 M16 S17	S10-A14 WeakPolarHBondContact O-CB 3.49Å; S10-A14 PolarHBondContact O-N 2.74Å; S10-A14 VanDerWaalsContact O-N 3.14Å; S11-A14 PolarHBondContact O-N 2.76Å; A14-M16 VanDerWaalsContact C-N 3.35Å; A14-S17 PolarHBondContact O-OG 3.46Å
15	C	33.6	Very low	37.6	Very low	102 Å²	102	120.6 Å²	120.6	69%	0.689	65%	0.651	S	S	*	*	H	α-helix	trans	-77.8	-20.8	176.5	-150.9	0	0	0	0	112.8	S11 L12 L13	S11-C15 PolarHBondContact O-N 3.15Å; S11-C15 VanDerWaalsContact O-N 3.12Å; L12-C15 PolarHBondContact O-N 3.03Å; L13-C15 VanDerWaalsContact C-N 3.31Å
16	M	35.7	Very low	36.6	Very low	141 Å²	141	119.7 Å²	119.7	70%	0.695	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-2.9	179.9	-67.8	-104.6	66.9	0	0	114.2	L12 L13 A14	L12-M16 WeakPolarHBondContact O-CG 3.4Å; L12-M16 PolarHBondContact O-N 3.06Å; L13-M16 PolarHBondContact O-N 3.01Å; A14-M16 VanDerWaalsContact C-N 3.35Å
17	S	36.6	Very low	36.5	Very low	87 Å²	87	117.8 Å²	117.8	61%	0.608	65%	0.652	S	S	*	*	S	Bend	trans	-114	2.3	-177.6	56	0	0	0	0	114.8	L13 A14	L13-S17 PolarHBondContact O-OG 3.38Å; A14-S17 PolarHBondContact O-OG 3.46Å
18	L	36	Very low	36.4	Very low	154 Å²	154	120.4 Å²	120.4	81%	0.806	65%	0.654	S	S	*	*			trans	-115.3	27.1	174.7	-119.4	81.6	0	0	0	114.3	S20	L18-S20 VanDerWaalsContact C-N 3.26Å; L18-S20 PolarHBondContact O-N 2.72Å; L18-S20 VanDerWaalsContact O-N 3.16Å
19	Q	31.3	Very low	36.6	Very low	166 Å²	166	116.1 Å²	116.1	78%	0.776	64%	0.642	S	S	*	*			trans	-75.1	91.1	147.1	-80.5	-175.8	-33.6	0	0	107.7	Q21	Q19-Q21 PolarHBondContact O-N 2.78Å
20	S	29.9	Very low	37.1	Very low	98 Å²	98	108.8 Å²	108.8	69%	0.685	61%	0.614	S	S	*	*			trans	-54.9	123.4	160.7	44.1	0	0	0	0	107.8	L18 T22	L18-S20 VanDerWaalsContact C-N 3.26Å; L18-S20 PolarHBondContact O-N 2.72Å; L18-S20 VanDerWaalsContact O-N 3.16Å; S20-T22 PolarHBondContact O-N 3.13Å
21	Q	29.9	Very low	38.1	Very low	194 Å²	194	107.6 Å²	107.6	91%	0.907	61%	0.605	S	S	*	*			trans	-67.7	86.3	166.1	-71.2	178	-17.8	0	0	107.5	Q19	Q19-Q21 PolarHBondContact O-N 2.78Å
22	T	28.4	Very low	38.8	Very low	101 Å²	101	108.6 Å²	108.6	62%	0.62	61%	0.605	S	S	*	*			trans	-51	135.2	143.1	46.7	0	0	0	0	106.3	S20 V24	S20-T22 PolarHBondContact O-N 3.13Å; T22-V24 PolarHBondContact O-N 2.82Å
23	P	27.7	Very low	39.6	Very low	100 Å²	100	108.1 Å²	108.1	65%	0.649	61%	0.611	S	S	*	*			trans	-63	105.1	174.3	25.9	-32	0	0	0	107	F25	P23-F25 HydrophobicContact CB-CD2 4.09Å; P23-F25 HydrophobicContact CB-CE2 4.18Å; P23-F25 HydrophobicContact CG-CD2 4.24Å; P23-F25 HydrophobicContact CG-CE2 4.16Å; P23-F25 PolarHBondContact O-N 3.13Å
24	V	29.2	Very low	41	Very low	134 Å²	134	105.8 Å²	105.8	81%	0.812	60%	0.599	S	S	*	*			trans	-67.7	83.5	163.1	180	0	0	0	0	105.1	T22 S26	T22-V24 PolarHBondContact O-N 2.82Å; V24-S26 PolarHBondContact O-N 2.62Å
25	F	31.8	Very low	43.1	Very low	173 Å²	173	103.2 Å²	103.2	76%	0.759	58%	0.577	S	S	*	*			trans	-52.2	115.4	167	-95.4	-90.1	0	0	0	106.3	P23 V27	P23-F25 HydrophobicContact CB-CD2 4.09Å; P23-F25 HydrophobicContact CB-CE2 4.18Å; P23-F25 HydrophobicContact CG-CD2 4.24Å; P23-F25 HydrophobicContact CG-CE2 4.16Å; P23-F25 PolarHBondContact O-N 3.13Å; F25-V27 PolarHBondContact O-N 2.78Å
26	S	31.6	Very low	45.5	Very low	83 Å²	83	102.8 Å²	102.8	58%	0.58	57%	0.568	S	S	*	*			trans	-61.4	116.1	-179.1	49.3	0	0	0	0	108	V24 R28	V24-S26 PolarHBondContact O-N 2.62Å; S26-R28 PolarHBondContact O-N 2.81Å
27	V	43.9	Very low	47.9	Very low	103 Å²	103	97.3 Å²	97.3	62%	0.624	54%	0.543	S	S	*	.	S	Bend	trans	-72.8	63.8	179.1	-170.8	0	0	0	0	109.1	F25 P62	F25-V27 PolarHBondContact O-N 2.78Å; V27-P62 HydrophobicContact CG1-CB 3.93Å; V27-P62 HydrophobicContact CG1-CG 3.75Å
28	R	44.8	Very low	50	Low	168 Å²	168	96.1 Å²	96.1	63%	0.634	53%	0.528	S	S	*	.			trans	-154.2	25.1	-160.7	-55.7	-164.7	82.9	135.4	15.6	113.4	S26 D32	S26-R28 PolarHBondContact O-N 2.81Å; R28-D32 WeakPolarHBondContact CA-OD1 3.28Å; R28-D32 HydrophobicContact CB-CB 4.43Å; R28-D32 IonicContact CZ-OD2 3.3Å; R28-D32 VanDerWaalsContact CZ-OD2 3.3Å; R28-D32 IonicContact NE-OD2 3.94Å; R28-D32 PolarHBondContact NE-OD2 3.33Å; R28-D32 IonicContact NH2-OD2 2.72Å; R28-D32 PolarHBondContact NH2-OD2 3.03Å
29	S	51	Low	52.1	Low	56 Å²	56	93.6 Å²	93.6	39%	0.392	51%	0.512	S	S	.	.	S	Bend	trans	-88.6	-72.5	179.8	29.2	0	0	0	0	111	S33 S60	S29-S33 PolarHBondContact O-OG 3.37Å; S29-S60 WeakPolarHBondContact OG-CB 3.35Å; S29-S60 PolarHBondContact OG-OG 2.83Å
30	S	52.4	Low	53.8	Low	5 Å²	5	88.6 Å²	88.6	4%	0.035	49%	0.488	C	S	.	.	S	Bend	trans	-86.9	-36.3	-175.2	-57.1	0	0	0	0	113.8	D32 S33 L34 C35 E58 S60	S30-D32 VanDerWaalsContact C-N 3.32Å; S30-D32 PolarHBondContact O-N 2.85Å; S30-S33 PolarHBondContact O-N 3.36Å; S30-L34 PolarHBondContact O-N 2.78Å; S30-C35 PolarHBondContact O-N 2.81Å; S30-E58 PolarHBondContact OG-O 2.85Å; S30-S60 PolarHBondContact OG-N 2.9Å
31	C	64.5	Low	55.5	Low	43 Å²	43	91.1 Å²	91.1	29%	0.291	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-17.6	-180	-65.5	0	0	0	0	114.9	C37	C31-C37 WeakPolarHBondContact CA-SG 3.48Å; C31-C37 HydrophobicContact CB-CB 3.6Å; C31-C37 WeakPolarHBondContact CB-SG 3.49Å; C31-C37 WeakPolarHBondContact SG-CB 3.4Å; C31-C37 CovalentContact SG-SG 2.04Å; C31-C37 PolarHBondContact SG-SG 3.33Å
32	D	58.1	Low	57.5	Low	85 Å²	85	84 Å²	84	46%	0.455	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-1.9	177.5	-77.9	47.3	0	0	0	112.1	R28 S30	R28-D32 WeakPolarHBondContact CA-OD1 3.28Å; R28-D32 HydrophobicContact CB-CB 4.43Å; R28-D32 IonicContact CZ-OD2 3.3Å; R28-D32 VanDerWaalsContact CZ-OD2 3.3Å; R28-D32 IonicContact NE-OD2 3.94Å; R28-D32 PolarHBondContact NE-OD2 3.33Å; R28-D32 IonicContact NH2-OD2 2.72Å; R28-D32 PolarHBondContact NH2-OD2 3.03Å; S30-D32 VanDerWaalsContact C-N 3.32Å; S30-D32 PolarHBondContact O-N 2.85Å
33	S	58.4	Low	59.7	Low	98 Å²	98	80.8 Å²	80.8	69%	0.685	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-155.9	-27.7	-173.8	66.3	0	0	0	0	118.8	S29 S30	S29-S33 PolarHBondContact O-OG 3.37Å; S30-S33 PolarHBondContact O-N 3.36Å
34	L	69.5	Low	62.4	Low	68 Å²	68	77.5 Å²	77.5	36%	0.356	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-46.8	-172.2	-79.4	161.2	0	0	0	113	S30 K51	S30-L34 PolarHBondContact O-N 2.78Å; L34-K51 VanDerWaalsContact O-CD 3.23Å; L34-K51 WeakPolarHBondContact O-CD 3.27Å; L34-K51 WeakPolarHBondContact O-CG 3.34Å
35	C	81.4	Confident	65	Low	9 Å²	9	73.8 Å²	73.8	6%	0.061	40%	0.404	C	S	.	.	S	Bend	trans	-120.6	145.8	-174.2	-50.8	0	0	0	0	110.7	S30 I46 N47 C48	S30-C35 PolarHBondContact O-N 2.81Å; C35-I46 HydrophobicContact CB-CG2 3.98Å; C35-N47 CarbonylContact C-O 3.44Å; C35-N47 VanDerWaalsContact CA-O 3.3Å; C35-N47 WeakPolarHBondContact CA-O 3.34Å; C35-N47 WeakPolarHBondContact CB-O 3.48Å; C35-C48 HydrophobicContact CB-CB 4.01Å; C35-C48 WeakPolarHBondContact CB-SG 3.38Å; C35-C48 WeakPolarHBondContact SG-CB 3.34Å; C35-C48 CovalentContact SG-SG 2.03Å; C35-C48 PolarHBondContact SG-SG 2.92Å
36	N	82.8	Confident	67.6	Low	92 Å²	92	65.7 Å²	65.7	49%	0.492	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	134.7	167.1	-176.8	27.6	0	0	0	109	E38 I46 N47	N36-E38 PolarHBondContact ND2-OE1 3.48Å; N36-I46 WeakPolarHBondContact O-CA 3.39Å; N36-N47 PolarHBondContact N-O 3.09Å; N36-N47 PolarHBondContact O-N 2.97Å
37	C	85.8	Confident	70.1	Confident	26 Å²	26	63.9 Å²	63.9	18%	0.176	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	121.9	-176.6	-61.6	0	0	0	0	111.1	C31 M44 L45	C31-C37 WeakPolarHBondContact CA-SG 3.48Å; C31-C37 HydrophobicContact CB-CB 3.6Å; C31-C37 WeakPolarHBondContact CB-SG 3.49Å; C31-C37 WeakPolarHBondContact SG-CB 3.4Å; C31-C37 CovalentContact SG-SG 2.04Å; C31-C37 PolarHBondContact SG-SG 3.33Å; C37-M44 HydrophobicContact CB-CE 3.71Å; C37-L45 CarbonylContact C-O 3.59Å; C37-L45 WeakPolarHBondContact CA-O 3.41Å
38	E	80.9	Confident	72.2	Confident	63 Å²	63	59 Å²	59	29%	0.294	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	127.8	-170.7	-57.3	-176.4	170.5	0	0	111	N36 L45 K537	N36-E38 PolarHBondContact ND2-OE1 3.48Å; E38-L45 PolarHBondContact N-O 3.33Å; E38-L45 PolarHBondContact O-N 3.42Å; E38-K537 VanDerWaalsContact OE2-CE 3.25Å; E38-K537 WeakPolarHBondContact OE2-CE 3.44Å; E38-K537 IonicContact OE2-NZ 3.94Å; E38-K537 PolarHBondContact OE2-NZ 3.25Å
39	E	80.1	Confident	74	Confident	101 Å²	101	52.6 Å²	52.6	47%	0.472	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	129.3	175.5	-170.4	165.4	-171.9	0	0	110.4	M44 R65	E39-M44 HydrophobicContact CB-SD 4.1Å; E39-R65 IonicContact OE1-CZ 2.75Å; E39-R65 IonicContact OE1-NE 2.62Å; E39-R65 IonicContact OE1-NH1 3.3Å; E39-R65 PolarHBondContact OE1-NH1 3.16Å; E39-R65 VanDerWaalsContact OE1-NH1 3.13Å; E39-R65 IonicContact OE1-NH2 2.88Å; E39-R65 PolarHBondContact OE1-NH2 2.67Å; E39-R65 IonicContact OE2-CZ 2.66Å; E39-R65 IonicContact OE2-NH1 3.75Å; E39-R65 PolarHBondContact OE2-NH1 3.22Å; E39-R65 IonicContact OE2-NH2 2.67Å; E39-R65 PolarHBondContact OE2-NH2 3.27Å
40	K	68.8	Low	75.5	Confident	61 Å²	61	55.1 Å²	55.1	27%	0.265	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	125.4	175.2	-167	-163.7	177.4	-179.8	0	109.9	G42 T43 K537 N538	K40-G42 PolarHBondContact O-N 3.1Å; K40-T43 PolarHBondContact N-O 3.41Å; K40-T43 PolarHBondContact O-N 3.26Å; K40-K537 HydrophobicContact CD-CB 4.16Å; K40-K537 HydrophobicContact CD-CD 4.42Å; K40-N538 PolarHBondContact NZ-OD1 2.89Å
41	D	64.8	Low	77.1	Confident	150 Å²	150	60 Å²	60	80%	0.802	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	32.8	173	-52.7	-37.5	0	0	0	114.6
42	G	71.3	Confident	78	Confident	44 Å²	44	60 Å²	60	45%	0.454	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	-1.4	-179	0	0	0	0	0	115.7	K40	K40-G42 PolarHBondContact O-N 3.1Å
43	T	75.4	Confident	79.4	Confident	34 Å²	34	56.1 Å²	56.1	21%	0.209	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	142	174.2	-57.1	0	0	0	0	110	K40 Q68	K40-T43 PolarHBondContact N-O 3.41Å; K40-T43 PolarHBondContact O-N 3.26Å; T43-Q68 HydrophobicContact CG2-CG 4.29Å
44	M	83.6	Confident	80.8	Confident	31 Å²	31	58.5 Å²	58.5	15%	0.153	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	119.8	173.9	-154.8	86.6	-176.1	0	0	109.9	C37 E39 I46 P66 F67 Q68	C37-M44 HydrophobicContact CB-CE 3.71Å; E39-M44 HydrophobicContact CB-SD 4.1Å; M44-I46 HydrophobicContact CG-CG1 4.13Å; M44-P66 PolarHBondContact N-O 2.93Å; M44-F67 HydrophobicContact CB-CB 3.85Å; M44-F67 CarbonylContact O-C 3.08Å; M44-F67 WeakPolarHBondContact O-CA 3.41Å; M44-F67 WeakPolarHBondContact O-CB 3.49Å; M44-Q68 PolarHBondContact O-N 2.96Å
45	L	83.4	Confident	81.6	Confident	57 Å²	57	58.2 Å²	58.2	30%	0.298	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	128.3	164.9	-179.3	61.2	0	0	0	108.4	C37 E38 Q68	C37-L45 CarbonylContact C-O 3.59Å; C37-L45 WeakPolarHBondContact CA-O 3.41Å; E38-L45 PolarHBondContact N-O 3.33Å; E38-L45 PolarHBondContact O-N 3.42Å; L45-Q68 HydrophobicContact CD1-CB 3.94Å
46	I	87.3	Confident	81.8	Confident	2 Å²	2	58 Å²	58	1%	0.01	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	110.9	179.3	-57.4	179.3	0	0	0	107.2	C35 N36 M44 V61 F67 Q68 L69 S70	C35-I46 HydrophobicContact CB-CG2 3.98Å; N36-I46 WeakPolarHBondContact O-CA 3.39Å; M44-I46 HydrophobicContact CG-CG1 4.13Å; I46-V61 HydrophobicContact CD1-CB 4.09Å; I46-V61 HydrophobicContact CD1-CG1 3.74Å; I46-F67 HydrophobicContact CD1-CB 4.13Å; I46-F67 HydrophobicContact CD1-CD2 4Å; I46-F67 HydrophobicContact CD1-CG 4.12Å; I46-Q68 PolarHBondContact N-O 3.26Å; I46-L69 HydrophobicContact CB-CD1 4.06Å; I46-L69 HydrophobicContact CG2-CD1 3.7Å; I46-L69 WeakPolarHBondContact O-CA 3.35Å; I46-S70 PolarHBondContact O-N 3.4Å
47	N	84.7	Confident	81.6	Confident	45 Å²	45	58.2 Å²	58.2	24%	0.241	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	114.6	177	-168.2	0.6	0	0	0	111.5	C35 N36 E49 S70	C35-N47 CarbonylContact C-O 3.44Å; C35-N47 VanDerWaalsContact CA-O 3.3Å; C35-N47 WeakPolarHBondContact CA-O 3.34Å; C35-N47 WeakPolarHBondContact CB-O 3.48Å; N36-N47 PolarHBondContact N-O 3.09Å; N36-N47 PolarHBondContact O-N 2.97Å; N47-E49 PolarHBondContact ND2-OE2 3.21Å; N47-E49 WeakPolarHBondContact OD1-CB 3.36Å; N47-E49 PolarHBondContact OD1-N 3.06Å; N47-S70 WeakPolarHBondContact OD1-CB 3.42Å
48	C	86.9	Confident	81.3	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.328	C	S	.	.			trans	-113	18.5	178.8	-56.1	0	0	0	0	112.7	C35 K51 I53 S70 L71 N74	C35-C48 HydrophobicContact CB-CB 4.01Å; C35-C48 WeakPolarHBondContact CB-SG 3.38Å; C35-C48 WeakPolarHBondContact SG-CB 3.34Å; C35-C48 CovalentContact SG-SG 2.03Å; C35-C48 PolarHBondContact SG-SG 2.92Å; C48-K51 WeakPolarHBondContact O-CB 3.24Å; C48-K51 VanDerWaalsContact O-CG 3.24Å; C48-K51 WeakPolarHBondContact O-CG 3.32Å; C48-I53 HydrophobicContact CB-CD1 3.7Å; C48-S70 WeakPolarHBondContact CA-O 3.2Å; C48-S70 VanDerWaalsContact CB-O 3.31Å; C48-S70 WeakPolarHBondContact CB-O 3.45Å; C48-S70 PolarHBondContact N-O 2.97Å; C48-L71 HydrophobicContact CB-CD2 3.57Å; C48-L71 HydrophobicContact CB-CG 4.39Å; C48-N74 PolarHBondContact O-ND2 3.49Å
49	E	83.8	Confident	81.2	Confident	34 Å²	34	58.4 Å²	58.4	16%	0.159	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	139.4	-178.3	176.2	168.6	-96.8	0	0	114.1	N47 K51 L72	N47-E49 PolarHBondContact ND2-OE2 3.21Å; N47-E49 WeakPolarHBondContact OD1-CB 3.36Å; N47-E49 PolarHBondContact OD1-N 3.06Å; E49-K51 VanDerWaalsContact C-N 3.25Å; E49-K51 PolarHBondContact O-N 3.14Å; E49-K51 PolarHBondContact O-NZ 2.03Å; E49-L72 VanDerWaalsContact CA-O 3.28Å; E49-L72 WeakPolarHBondContact CA-O 3.31Å; E49-L72 HydrophobicContact CG-CB 4.16Å; E49-L72 WeakPolarHBondContact OE1-CB 3.04Å; E49-L72 WeakPolarHBondContact OE1-CD1 3.23Å
50	E	82.7	Confident	80.9	Confident	109 Å²	109	56.6 Å²	56.6	51%	0.509	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	32.8	-176.2	-60.4	-157.4	157.8	0	0	115.5	L72 N73	E50-L72 PolarHBondContact N-O 2.87Å; E50-N73 WeakPolarHBondContact CA-O 3.44Å; E50-N73 HydrophobicContact CG-CB 3.96Å; E50-N73 PolarHBondContact N-O 3.27Å; E50-N73 PolarHBondContact OE1-ND2 2.99Å
51	K	84.8	Confident	81.1	Confident	108 Å²	108	54.5 Å²	54.5	47%	0.47	31%	0.309	S	S	.	.	S	Bend	trans	-95.5	-3.7	178.3	-59.5	-63.9	164.3	-78.1	0	114	L34 C48 E49 I53 N74	L34-K51 VanDerWaalsContact O-CD 3.23Å; L34-K51 WeakPolarHBondContact O-CD 3.27Å; L34-K51 WeakPolarHBondContact O-CG 3.34Å; C48-K51 WeakPolarHBondContact O-CB 3.24Å; C48-K51 VanDerWaalsContact O-CG 3.24Å; C48-K51 WeakPolarHBondContact O-CG 3.32Å; E49-K51 VanDerWaalsContact C-N 3.25Å; E49-K51 PolarHBondContact O-N 3.14Å; E49-K51 PolarHBondContact O-NZ 2.03Å; K51-I53 HydrophobicContact CB-CD1 3.98Å; K51-I53 HydrophobicContact CB-CG1 3.98Å; K51-I53 PolarHBondContact O-N 2.86Å; K51-N74 PolarHBondContact N-OD1 3.13Å
52	G	84.3	Confident	81.3	Confident	44 Å²	44	48.2 Å²	48.2	45%	0.454	28%	0.276	S	S	.	.			trans	67.7	21.2	179.2	0	0	0	0	0	113.6	K54 N74	G52-K54 WeakPolarHBondContact O-CG 3.21Å; G52-N74 PolarHBondContact N-OD1 3Å
53	I	87.2	Confident	81.1	Confident	3 Å²	3	51 Å²	51	2%	0.015	29%	0.286	C	S	.	.			trans	-59.6	136.4	179.1	-65.8	164.9	0	0	0	109	C48 K51 T55 E58 I59 L71 N74 G75 L76	C48-I53 HydrophobicContact CB-CD1 3.7Å; K51-I53 HydrophobicContact CB-CD1 3.98Å; K51-I53 HydrophobicContact CB-CG1 3.98Å; K51-I53 PolarHBondContact O-N 2.86Å; I53-T55 WeakPolarHBondContact CG2-O 3.29Å; I53-E58 HydrophobicContact CG2-CB 4.3Å; I53-I59 HydrophobicContact CD1-CG1 4.46Å; I53-L71 HydrophobicContact CD1-CD2 3.75Å; I53-N74 PolarHBondContact N-OD1 2.86Å; I53-G75 CarbonylContact O-C 3.21Å; I53-G75 VanDerWaalsContact O-C 3.32Å; I53-G75 VanDerWaalsContact O-CA 3.28Å; I53-G75 WeakPolarHBondContact O-CA 3.3Å; I53-G75 PolarHBondContact O-N 3.2Å; I53-L76 HydrophobicContact CG2-CD2 4.31Å; I53-L76 PolarHBondContact O-N 3.03Å
54	K	86.9	Confident	80.9	Confident	147 Å²	147	54.1 Å²	54.1	64%	0.639	31%	0.309	S	S	*	.			trans	-114.9	-21.6	-177.3	-60.9	-172.7	-179.4	-177.4	0	113.7	G52 E58	G52-K54 WeakPolarHBondContact O-CG 3.21Å; K54-E58 PolarHBondContact N-OE1 3.38Å
55	T	86.1	Confident	80.6	Confident	63 Å²	63	57.5 Å²	57.5	39%	0.387	32%	0.32	S	S	.	.			trans	-137	137.9	177.3	61.9	0	0	0	0	110.5	I53 S57 E58	I53-T55 WeakPolarHBondContact CG2-O 3.29Å; T55-S57 PolarHBondContact O-N 3.41Å; T55-S57 VanDerWaalsContact O-N 3.15Å; T55-E58 PolarHBondContact N-OE1 2.96Å; T55-E58 WeakPolarHBondContact O-CB 3.28Å; T55-E58 PolarHBondContact O-N 3.06Å; T55-E58 PolarHBondContact OG1-OE1 2.75Å
56	V	85.7	Confident	80.7	Confident	4 Å²	4	57.2 Å²	57.2	2%	0.024	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-61.3	-26.3	179.9	-174.8	0	0	0	0	111.3	E58 I59 L79 D83 F84 L87	V56-E58 PolarHBondContact O-N 2.87Å; V56-E58 VanDerWaalsContact O-N 3.13Å; V56-I59 HydrophobicContact CG1-CD1 4.3Å; V56-I59 WeakPolarHBondContact O-CB 3.26Å; V56-I59 WeakPolarHBondContact O-CG1 3.2Å; V56-I59 PolarHBondContact O-N 2.62Å; V56-L79 HydrophobicContact CG2-CD2 4.21Å; V56-D83 HydrophobicContact CB-CB 4.01Å; V56-D83 HydrophobicContact CG2-CB 4.14Å; V56-F84 HydrophobicContact CG1-CD1 4.12Å; V56-F84 HydrophobicContact CG1-CE1 4.05Å; V56-F84 HydrophobicContact CG1-CG 4.39Å; V56-F84 HydrophobicContact CG1-CZ 4.26Å; V56-F84 HydrophobicContact CG2-CE1 4.3Å; V56-F84 HydrophobicContact CG2-CE2 3.93Å; V56-F84 HydrophobicContact CG2-CZ 3.73Å; V56-L87 HydrophobicContact CG1-CD1 3.73Å
57	S	80.4	Confident	80.7	Confident	96 Å²	96	57.2 Å²	57.2	67%	0.671	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-59.6	-15	173.6	-70.3	0	0	0	0	115.2	T55 I59	T55-S57 PolarHBondContact O-N 3.41Å; T55-S57 VanDerWaalsContact O-N 3.15Å; S57-I59 PolarHBondContact O-N 2.88Å
58	E	77.4	Confident	80.9	Confident	77 Å²	77	58.4 Å²	58.4	36%	0.36	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-71.9	-11.6	171.7	-68.7	159.3	-119	0	0	112.7	S30 I53 K54 T55 V56	S30-E58 PolarHBondContact OG-O 2.85Å; I53-E58 HydrophobicContact CG2-CB 4.3Å; K54-E58 PolarHBondContact N-OE1 3.38Å; T55-E58 PolarHBondContact N-OE1 2.96Å; T55-E58 WeakPolarHBondContact O-CB 3.28Å; T55-E58 PolarHBondContact O-N 3.06Å; T55-E58 PolarHBondContact OG1-OE1 2.75Å; V56-E58 PolarHBondContact O-N 2.87Å; V56-E58 VanDerWaalsContact O-N 3.13Å
59	I	79.8	Confident	81	Confident	16 Å²	16	58.5 Å²	58.5	8%	0.082	33%	0.326	C	S	.	.			trans	-104.8	125.1	-171.6	-46.4	166	0	0	0	110.7	I53 V56 S57 V61 L69 L71	I53-I59 HydrophobicContact CD1-CG1 4.46Å; V56-I59 HydrophobicContact CG1-CD1 4.3Å; V56-I59 WeakPolarHBondContact O-CB 3.26Å; V56-I59 WeakPolarHBondContact O-CG1 3.2Å; V56-I59 PolarHBondContact O-N 2.62Å; S57-I59 PolarHBondContact O-N 2.88Å; I59-V61 HydrophobicContact CG2-CG1 3.9Å; I59-L69 HydrophobicContact CD1-CD2 4.47Å; I59-L71 HydrophobicContact CD1-CD1 3.63Å; I59-L71 HydrophobicContact CD1-CD2 3.49Å; I59-L71 VanDerWaalsContact CD1-CD2 3.49Å; I59-L71 HydrophobicContact CD1-CG 4.07Å
60	S	74.3	Confident	81.2	Confident	63 Å²	63	57.5 Å²	57.5	44%	0.441	32%	0.323	S	S	.	.			trans	-125.1	99.8	-177.4	-178.1	0	0	0	0	109.4	S29 S30	S29-S60 WeakPolarHBondContact OG-CB 3.35Å; S29-S60 PolarHBondContact OG-OG 2.83Å; S30-S60 PolarHBondContact OG-N 2.9Å
61	V	73.3	Confident	81.5	Confident	18 Å²	18	52.3 Å²	52.3	11%	0.109	30%	0.299	C	S	.	.			trans	-98.9	161.5	-175.7	-53	0	0	0	0	112.4	I46 I59 P63 F67 L87	I46-V61 HydrophobicContact CD1-CB 4.09Å; I46-V61 HydrophobicContact CD1-CG1 3.74Å; I59-V61 HydrophobicContact CG2-CG1 3.9Å; V61-P63 WeakPolarHBondContact O-CD 3.5Å; V61-F67 HydrophobicContact CB-CE1 4.31Å; V61-F67 HydrophobicContact CB-CZ 4.29Å; V61-F67 HydrophobicContact CG1-CE2 4.29Å; V61-F67 HydrophobicContact CG1-CZ 4.28Å; V61-F67 HydrophobicContact CG2-CD1 4.49Å; V61-F67 HydrophobicContact CG2-CE1 3.69Å; V61-F67 HydrophobicContact CG2-CZ 3.72Å; V61-L87 HydrophobicContact CB-CD2 4.2Å; V61-L87 HydrophobicContact CG1-CD2 3.63Å; V61-L87 HydrophobicContact CG2-CD2 3.49Å; V61-L87 VanDerWaalsContact CG2-CD2 3.49Å
62	P	67.3	Low	81.5	Confident	18 Å²	18	48.9 Å²	48.9	12%	0.117	29%	0.286	C	S	.	.			trans	-73	119.1	174.1	-12.3	28.4	0	0	0	111.4	V27 S64	V27-P62 HydrophobicContact CG1-CB 3.93Å; V27-P62 HydrophobicContact CG1-CG 3.75Å; P62-S64 PolarHBondContact O-N 2.74Å
63	P	67.5	Low	81.4	Confident	101 Å²	101	50.4 Å²	50.4	66%	0.656	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	7.6	-174.7	32.2	-37.7	0	0	0	114.4	V61 N89	V61-P63 WeakPolarHBondContact O-CD 3.5Å; P63-N89 VanDerWaalsContact C-ND2 3.27Å; P63-N89 PolarHBondContact O-ND2 2.84Å
64	S	71.6	Confident	81.5	Confident	100 Å²	100	50.9 Å²	50.9	70%	0.699	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	-1.5	-169.3	56.9	0	0	0	0	115.3	P62	P62-S64 PolarHBondContact O-N 2.74Å
65	R	78.3	Confident	81.5	Confident	103 Å²	103	45.2 Å²	45.2	39%	0.389	27%	0.269	S	S	.	.	S	Bend	trans	-136	153.7	-178.6	-71.6	178.9	168.2	-171.2	-19	111.4	E39 N89	E39-R65 IonicContact OE1-CZ 2.75Å; E39-R65 IonicContact OE1-NE 2.62Å; E39-R65 IonicContact OE1-NH1 3.3Å; E39-R65 PolarHBondContact OE1-NH1 3.16Å; E39-R65 VanDerWaalsContact OE1-NH1 3.13Å; E39-R65 IonicContact OE1-NH2 2.88Å; E39-R65 PolarHBondContact OE1-NH2 2.67Å; E39-R65 IonicContact OE2-CZ 2.66Å; E39-R65 IonicContact OE2-NH1 3.75Å; E39-R65 PolarHBondContact OE2-NH1 3.22Å; E39-R65 IonicContact OE2-NH2 2.67Å; E39-R65 PolarHBondContact OE2-NH2 3.27Å; R65-N89 WeakPolarHBondContact O-CB 3.41Å; R65-N89 PolarHBondContact O-ND2 3.07Å; R65-N89 VanDerWaalsContact O-ND2 3.13Å
66	P	85	Confident	81.8	Confident	50 Å²	50	42.3 Å²	42.3	33%	0.325	25%	0.251	S	S	.	.			trans	-67	147.4	166.5	28.6	-32.8	0	0	0	111.1	M44 N89 I91	M44-P66 PolarHBondContact N-O 2.93Å; P66-N89 WeakPolarHBondContact CA-O 3.47Å; P66-I91 HydrophobicContact CB-CD1 3.61Å; P66-I91 HydrophobicContact CB-CG1 4.17Å
67	F	87.1	Confident	82.1	Confident	3 Å²	3	46.1 Å²	46.1	1%	0.013	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	162.4	178.3	65	-91.9	0	0	0	114	M44 I46 V61 L69 L87 N89 A90 I91	M44-F67 HydrophobicContact CB-CB 3.85Å; M44-F67 CarbonylContact O-C 3.08Å; M44-F67 WeakPolarHBondContact O-CA 3.41Å; M44-F67 WeakPolarHBondContact O-CB 3.49Å; I46-F67 HydrophobicContact CD1-CB 4.13Å; I46-F67 HydrophobicContact CD1-CD2 4Å; I46-F67 HydrophobicContact CD1-CG 4.12Å; V61-F67 HydrophobicContact CB-CE1 4.31Å; V61-F67 HydrophobicContact CB-CZ 4.29Å; V61-F67 HydrophobicContact CG1-CE2 4.29Å; V61-F67 HydrophobicContact CG1-CZ 4.28Å; V61-F67 HydrophobicContact CG2-CD1 4.49Å; V61-F67 HydrophobicContact CG2-CE1 3.69Å; V61-F67 HydrophobicContact CG2-CZ 3.72Å; F67-L69 HydrophobicContact CD2-CB 4.19Å; F67-L69 HydrophobicContact CE2-CB 4.12Å; F67-L69 HydrophobicContact CE2-CD2 4.47Å; F67-L87 HydrophobicContact CZ-CB 3.9Å; F67-L87 HydrophobicContact CZ-CD2 4.06Å; F67-N89 HydrophobicContact CD1-CB 4.11Å; F67-N89 HydrophobicContact CE1-CB 4.01Å; F67-N89 PolarHBondContact N-O 2.84Å; F67-N89 VanDerWaalsContact N-O 3.09Å; F67-A90 HydrophobicContact CD2-CB 4.24Å; F67-A90 HydrophobicContact CE1-CB 4.47Å; F67-A90 HydrophobicContact CE2-CB 3.63Å; F67-A90 HydrophobicContact CZ-CB 3.76Å; F67-A90 CarbonylContact O-C 3.5Å; F67-A90 WeakPolarHBondContact O-CA 3.34Å; F67-I91 PolarHBondContact O-N 2.84Å
68	Q	87.9	Confident	82.7	Confident	70 Å²	70	45 Å²	45	33%	0.327	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	137.9	167.6	-67.6	174.7	-42.6	0	0	108.1	T43 M44 L45 I46 S92	T43-Q68 HydrophobicContact CG2-CG 4.29Å; M44-Q68 PolarHBondContact O-N 2.96Å; L45-Q68 HydrophobicContact CD1-CB 3.94Å; I46-Q68 PolarHBondContact N-O 3.26Å; Q68-S92 WeakPolarHBondContact CA-O 3.25Å
69	L	89.6	Confident	83.4	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	115.6	-173.9	176.4	60.9	0	0	0	111	I46 I59 F67 L71 L87 S92 I93 H94	I46-L69 HydrophobicContact CB-CD1 4.06Å; I46-L69 HydrophobicContact CG2-CD1 3.7Å; I46-L69 WeakPolarHBondContact O-CA 3.35Å; I59-L69 HydrophobicContact CD1-CD2 4.47Å; F67-L69 HydrophobicContact CD2-CB 4.19Å; F67-L69 HydrophobicContact CE2-CB 4.12Å; F67-L69 HydrophobicContact CE2-CD2 4.47Å; L69-L71 HydrophobicContact CD1-CG 4.3Å; L69-L71 HydrophobicContact CD2-CD1 3.92Å; L69-L71 HydrophobicContact CD2-CG 4.5Å; L69-L71 HydrophobicContact CG-CD1 4.1Å; L69-L71 HydrophobicContact CG-CG 4.18Å; L69-L87 HydrophobicContact CD2-CD1 3.94Å; L69-S92 PolarHBondContact N-O 3.26Å; L69-I93 HydrophobicContact CB-CG1 4.3Å; L69-I93 WeakPolarHBondContact O-CA 3.34Å; L69-H94 PolarHBondContact O-N 2.01Å
70	S	88.4	Confident	84	Confident	13 Å²	13	44.5 Å²	44.5	9%	0.091	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	128.3	166.8	-179	0	0	0	0	110.7	I46 N47 C48 L72	I46-S70 PolarHBondContact O-N 3.4Å; N47-S70 WeakPolarHBondContact OD1-CB 3.42Å; C48-S70 WeakPolarHBondContact CA-O 3.2Å; C48-S70 VanDerWaalsContact CB-O 3.31Å; C48-S70 WeakPolarHBondContact CB-O 3.45Å; C48-S70 PolarHBondContact N-O 2.97Å; S70-L72 WeakPolarHBondContact OG-CG 3.06Å; S70-L72 PolarHBondContact OG-N 3.17Å
71	L	88.6	Confident	84.8	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.254	C	S	.	.			trans	-126.1	26.7	171.6	-75.2	162.7	0	0	0	110.6	C48 I53 I59 L69 N74 H94 L95 N98	C48-L71 HydrophobicContact CB-CD2 3.57Å; C48-L71 HydrophobicContact CB-CG 4.39Å; I53-L71 HydrophobicContact CD1-CD2 3.75Å; I59-L71 HydrophobicContact CD1-CD1 3.63Å; I59-L71 HydrophobicContact CD1-CD2 3.49Å; I59-L71 VanDerWaalsContact CD1-CD2 3.49Å; I59-L71 HydrophobicContact CD1-CG 4.07Å; L69-L71 HydrophobicContact CD1-CG 4.3Å; L69-L71 HydrophobicContact CD2-CD1 3.92Å; L69-L71 HydrophobicContact CD2-CG 4.5Å; L69-L71 HydrophobicContact CG-CD1 4.1Å; L69-L71 HydrophobicContact CG-CG 4.18Å; L71-N74 WeakPolarHBondContact O-CB 3.33Å; L71-N74 PolarHBondContact O-ND2 3.08Å; L71-N74 VanDerWaalsContact O-ND2 3.13Å; L71-H94 CarbonylContact C-O 3.57Å; L71-H94 WeakPolarHBondContact CA-O 3.25Å; L71-H94 WeakPolarHBondContact CB-O 3.39Å; L71-H94 PolarHBondContact N-O 3.1Å; L71-L95 HydrophobicContact CB-CD2 4.03Å; L71-L95 HydrophobicContact CD1-CD2 3.79Å; L71-N98 PolarHBondContact O-ND2 3.26Å
72	L	84.4	Confident	85.6	Confident	37 Å²	37	47.2 Å²	47.2	19%	0.194	27%	0.268	C	S	.	.			trans	-56.9	148.7	178.1	-66.3	172.5	0	0	0	112.1	E49 E50 S70 N74 H94 G96 F97	E49-L72 VanDerWaalsContact CA-O 3.28Å; E49-L72 WeakPolarHBondContact CA-O 3.31Å; E49-L72 HydrophobicContact CG-CB 4.16Å; E49-L72 WeakPolarHBondContact OE1-CB 3.04Å; E49-L72 WeakPolarHBondContact OE1-CD1 3.23Å; E50-L72 PolarHBondContact N-O 2.87Å; S70-L72 WeakPolarHBondContact OG-CG 3.06Å; S70-L72 PolarHBondContact OG-N 3.17Å; L72-N74 PolarHBondContact O-N 2.7Å; L72-N74 PolarHBondContact O-ND2 3.37Å; L72-H94 HydrophobicContact CD1-CB 4.49Å; L72-H94 HydrophobicContact CD2-CB 4.07Å; L72-H94 HydrophobicContact CG-CB 4.07Å; L72-G96 WeakPolarHBondContact CA-O 3.19Å; L72-F97 HydrophobicContact CD2-CD2 4.41Å
73	N	82.9	Confident	86.5	Confident	75 Å²	75	47.6 Å²	47.6	40%	0.401	27%	0.269	S	S	.	.	S	Bend	trans	47.1	55.1	178	-161.5	11.3	0	0	0	113.9	E50 G96 F97	E50-N73 WeakPolarHBondContact CA-O 3.44Å; E50-N73 HydrophobicContact CG-CB 3.96Å; E50-N73 PolarHBondContact N-O 3.27Å; E50-N73 PolarHBondContact OE1-ND2 2.99Å; N73-G96 PolarHBondContact N-O 3.18Å; N73-F97 WeakPolarHBondContact CA-O 3.48Å
74	N	88.3	Confident	87.6	Confident	14 Å²	14	42.8 Å²	42.8	8%	0.075	24%	0.238	C	C	.	.			trans	-119.3	177.4	178.8	-88	-77.7	0	0	0	112.5	C48 K51 G52 I53 L71 L72 L76 N98	C48-N74 PolarHBondContact O-ND2 3.49Å; K51-N74 PolarHBondContact N-OD1 3.13Å; G52-N74 PolarHBondContact N-OD1 3Å; I53-N74 PolarHBondContact N-OD1 2.86Å; L71-N74 WeakPolarHBondContact O-CB 3.33Å; L71-N74 PolarHBondContact O-ND2 3.08Å; L71-N74 VanDerWaalsContact O-ND2 3.13Å; L72-N74 PolarHBondContact O-N 2.7Å; L72-N74 PolarHBondContact O-ND2 3.37Å; N74-L76 VanDerWaalsContact C-N 3.33Å; N74-L76 PolarHBondContact O-N 2.79Å; N74-N98 WeakPolarHBondContact CA-OD1 3.26Å; N74-N98 WeakPolarHBondContact CB-OD1 3Å; N74-N98 PolarHBondContact N-OD1 2.94Å; N74-N98 PolarHBondContact O-OD1 3.34Å; N74-N98 VanDerWaalsContact O-OD1 3.06Å
75	G	87.6	Confident	88.3	Confident	28 Å²	28	41.1 Å²	41.1	29%	0.289	23%	0.226	S	C	.	.			trans	-91	22.9	-175.4	0	0	0	0	0	114.8	I53	I53-G75 CarbonylContact O-C 3.21Å; I53-G75 VanDerWaalsContact O-C 3.32Å; I53-G75 VanDerWaalsContact O-CA 3.28Å; I53-G75 WeakPolarHBondContact O-CA 3.3Å; I53-G75 PolarHBondContact O-N 3.2Å
76	L	92.1	Very high	88.3	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.005	23%	0.234	C	C	.	.			trans	-71.8	128.8	179.4	-55.2	176.7	0	0	0	110	I53 N74 L79 L95 N98 N99 I100	I53-L76 HydrophobicContact CG2-CD2 4.31Å; I53-L76 PolarHBondContact O-N 3.03Å; N74-L76 VanDerWaalsContact C-N 3.33Å; N74-L76 PolarHBondContact O-N 2.79Å; L76-L79 HydrophobicContact CD1-CD2 4.48Å; L76-L95 HydrophobicContact CD1-CD2 3.53Å; L76-N98 HydrophobicContact CB-CB 4.24Å; L76-N98 VanDerWaalsContact CB-OD1 3.26Å; L76-N98 WeakPolarHBondContact CB-OD1 3.48Å; L76-N98 VanDerWaalsContact CG-OD1 3.28Å; L76-N98 WeakPolarHBondContact CG-OD1 3.35Å; L76-N98 PolarHBondContact N-OD1 2.88Å; L76-N99 CarbonylContact O-C 3.2Å; L76-N99 WeakPolarHBondContact O-CA 3.42Å; L76-N99 PolarHBondContact O-N 2.84Å; L76-I100 HydrophobicContact CB-CD1 4.13Å; L76-I100 HydrophobicContact CB-CG1 3.82Å; L76-I100 HydrophobicContact CD1-CD1 4.44Å; L76-I100 PolarHBondContact O-N 2.81Å
77	T	91.8	Very high	88.4	Confident	85 Å²	85	36.6 Å²	36.6	52%	0.521	22%	0.22	S	C	.	.			trans	-118.9	-22.2	-178.3	53.1	0	0	0	0	114.2	N99 I100 A101	T77-N99 WeakPolarHBondContact CA-O 2.98Å; T77-N99 HydrophobicContact CG2-CB 4.41Å; T77-I100 WeakPolarHBondContact O-CA 3.42Å; T77-A101 PolarHBondContact O-N 3.21Å
78	M	93.1	Very high	88.3	Confident	71 Å²	71	39.1 Å²	39.1	35%	0.35	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	146.7	179.5	-178.6	173.9	-83.7	0	0	107.8	H80 D102	M78-H80 PolarHBondContact SD-CE1 3.42Å; M78-D102 WeakPolarHBondContact CA-O 3.36Å; M78-D102 HydrophobicContact CE-CB 3.84Å
79	L	93.4	Very high	88.4	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.8	172.5	-57.9	179.8	0	0	0	109.5	V56 L76 F84 L95 I100 D102 I103 E104 A107 F108	V56-L79 HydrophobicContact CG2-CD2 4.21Å; L76-L79 HydrophobicContact CD1-CD2 4.48Å; L79-F84 HydrophobicContact CD1-CE2 4.02Å; L79-F84 HydrophobicContact CD1-CZ 4.28Å; L79-F84 HydrophobicContact CD2-CE2 4.05Å; L79-F84 HydrophobicContact CD2-CZ 4.18Å; L79-F84 HydrophobicContact CG-CE2 4.43Å; L79-L95 HydrophobicContact CD1-CD1 4.13Å; L79-I100 HydrophobicContact CD1-CD1 4.21Å; L79-I100 HydrophobicContact CD2-CD1 4.12Å; L79-I100 HydrophobicContact CG-CD1 4.18Å; L79-I100 HydrophobicContact CG-CG2 4.13Å; L79-D102 PolarHBondContact N-O 3.16Å; L79-D102 VanDerWaalsContact N-O 3.13Å; L79-I103 HydrophobicContact CB-CG1 4.43Å; L79-I103 HydrophobicContact CB-CG2 4.29Å; L79-I103 HydrophobicContact CD1-CD1 4.22Å; L79-I103 HydrophobicContact CD1-CG1 4.1Å; L79-I103 HydrophobicContact CD1-CG2 4.49Å; L79-I103 HydrophobicContact CG-CG1 4.42Å; L79-E104 WeakPolarHBondContact O-CB 3.48Å; L79-E104 PolarHBondContact O-N 2.98Å; L79-A107 HydrophobicContact CB-CB 3.99Å; L79-F108 HydrophobicContact CD1-CE1 4.03Å; L79-F108 HydrophobicContact CD1-CZ 3.95Å
80	H	92.4	Very high	88.4	Confident	83 Å²	83	37.2 Å²	37.2	38%	0.384	23%	0.227	S	C	.	.			trans	-95.4	158.4	-175.4	-65.8	-69.2	0	0	0	112.9	M78 N82 D83 E104 A107	M78-H80 PolarHBondContact SD-CE1 3.42Å; H80-N82 PolarHBondContact O-N 3.14Å; H80-D83 PolarHBondContact N-OD2 2.56Å; H80-D83 WeakPolarHBondContact O-CB 3.43Å; H80-D83 PolarHBondContact O-N 3.34Å; H80-E104 WeakPolarHBondContact CA-OE2 3.28Å; H80-E104 IonicContact CE1-OE1 3.65Å; H80-E104 IonicContact CG-OE1 2.78Å; H80-E104 IonicContact ND1-OE1 3.88Å; H80-E104 PolarHBondContact ND1-OE1 3.45Å; H80-E104 IonicContact ND1-OE2 2.72Å; H80-A107 VanDerWaalsContact O-CA 3.28Å; H80-A107 WeakPolarHBondContact O-CA 3.28Å; H80-A107 WeakPolarHBondContact O-CB 3.45Å
81	T	90.7	Very high	88.4	Confident	62 Å²	62	38.8 Å²	38.8	38%	0.38	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	122.3	-176.8	-51.3	0	0	0	0	111.5	E104	T81-E104 WeakPolarHBondContact CB-OE2 3.19Å; T81-E104 PolarHBondContact N-OE2 3.21Å; T81-E104 WeakPolarHBondContact OG1-CB 3.43Å; T81-E104 PolarHBondContact OG1-OE2 2.97Å
82	N	88.6	Confident	88.5	Confident	75 Å²	75	38.8 Å²	38.8	40%	0.401	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	15	-173.6	-42.3	-69.1	0	0	0	117.2	H80 F84 S85 G106 N109	H80-N82 PolarHBondContact O-N 3.14Å; N82-F84 PolarHBondContact O-N 2.66Å; N82-F84 VanDerWaalsContact O-N 3.08Å; N82-S85 VanDerWaalsContact O-CB 3.25Å; N82-S85 WeakPolarHBondContact O-CB 3.48Å; N82-S85 PolarHBondContact O-N 2.77Å; N82-S85 PolarHBondContact O-OG 3.28Å; N82-G106 PolarHBondContact N-O 3.16Å; N82-N109 VanDerWaalsContact OD1-CB 3.31Å; N82-N109 WeakPolarHBondContact OD1-CB 3.45Å; N82-N109 PolarHBondContact OD1-ND2 2.92Å
83	D	88.2	Confident	88.9	Confident	27 Å²	27	37 Å²	37	14%	0.144	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-34.8	176.3	-100.1	-19.7	0	0	0	112.7	V56 H80	V56-D83 HydrophobicContact CB-CB 4.01Å; V56-D83 HydrophobicContact CG2-CB 4.14Å; H80-D83 PolarHBondContact N-OD2 2.56Å; H80-D83 WeakPolarHBondContact O-CB 3.43Å; H80-D83 PolarHBondContact O-N 3.34Å
84	F	89.8	Confident	89.2	Confident	0 Å²	0	36 Å²	36	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	8.7	-178.8	-62.6	-100.5	0	0	0	114.1	V56 L79 N82 G86 L87 I93 L95 A107 F108 L111	V56-F84 HydrophobicContact CG1-CD1 4.12Å; V56-F84 HydrophobicContact CG1-CE1 4.05Å; V56-F84 HydrophobicContact CG1-CG 4.39Å; V56-F84 HydrophobicContact CG1-CZ 4.26Å; V56-F84 HydrophobicContact CG2-CE1 4.3Å; V56-F84 HydrophobicContact CG2-CE2 3.93Å; V56-F84 HydrophobicContact CG2-CZ 3.73Å; L79-F84 HydrophobicContact CD1-CE2 4.02Å; L79-F84 HydrophobicContact CD1-CZ 4.28Å; L79-F84 HydrophobicContact CD2-CE2 4.05Å; L79-F84 HydrophobicContact CD2-CZ 4.18Å; L79-F84 HydrophobicContact CG-CE2 4.43Å; N82-F84 PolarHBondContact O-N 2.66Å; N82-F84 VanDerWaalsContact O-N 3.08Å; F84-G86 VanDerWaalsContact C-N 3.25Å; F84-G86 PolarHBondContact O-N 2.76Å; F84-L87 HydrophobicContact CB-CD1 4.38Å; F84-L87 HydrophobicContact CD1-CD1 3.66Å; F84-L87 HydrophobicContact CE1-CD1 4.37Å; F84-L87 HydrophobicContact CG-CD1 4.35Å; F84-L87 WeakPolarHBondContact O-CB 3.32Å; F84-L87 PolarHBondContact O-N 3.32Å; F84-I93 HydrophobicContact CD1-CD1 3.83Å; F84-I93 HydrophobicContact CE1-CD1 4.11Å; F84-I93 HydrophobicContact CE1-CG2 4.2Å; F84-L95 HydrophobicContact CE1-CD1 4.3Å; F84-L95 HydrophobicContact CE1-CD2 4.48Å; F84-L95 HydrophobicContact CZ-CD1 3.84Å; F84-L95 HydrophobicContact CZ-CD2 4.13Å; F84-A107 WeakPolarHBondContact CD2-O 3.5Å; F84-A107 PolarHBondContact N-O 2.87Å; F84-F108 HydrophobicContact CD2-CD1 4.06Å; F84-F108 HydrophobicContact CD2-CE1 4.46Å; F84-F108 HydrophobicContact CE2-CD1 4.17Å; F84-F108 HydrophobicContact CE2-CE1 4.1Å; F84-F108 HydrophobicContact CG-CD1 4.44Å; F84-F108 HydrophobicContact CZ-CE1 4.35Å; F84-L111 HydrophobicContact CB-CD1 3.55Å; F84-L111 HydrophobicContact CB-CD2 4Å; F84-L111 HydrophobicContact CB-CG 3.67Å; F84-L111 HydrophobicContact CD1-CD1 3.85Å; F84-L111 HydrophobicContact CG-CD1 3.77Å; F84-L111 HydrophobicContact CG-CG 4.42Å
85	S	85.3	Confident	89.4	Confident	65 Å²	65	35.3 Å²	35.3	46%	0.455	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-22	-174.3	56.6	0	0	0	0	115	N82 L87 N109	N82-S85 VanDerWaalsContact O-CB 3.25Å; N82-S85 WeakPolarHBondContact O-CB 3.48Å; N82-S85 PolarHBondContact O-N 2.77Å; N82-S85 PolarHBondContact O-OG 3.28Å; S85-L87 VanDerWaalsContact C-N 3.3Å; S85-N109 WeakPolarHBondContact CA-O 3.46Å; S85-N109 PolarHBondContact N-O 3.44Å
86	G	79.1	Confident	89.3	Confident	53 Å²	53	34 Å²	34	55%	0.546	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-4.8	170.7	0	0	0	0	0	114.6	F84	F84-G86 VanDerWaalsContact C-N 3.25Å; F84-G86 PolarHBondContact O-N 2.76Å
87	L	86.2	Confident	88.9	Confident	5 Å²	5	38.5 Å²	38.5	3%	0.026	22%	0.22	C	C	.	.			trans	-108	27.7	-166.7	-57.3	-178.3	0	0	0	113.2	V56 V61 F67 L69 F84 S85 N89 A90 L111	V56-L87 HydrophobicContact CG1-CD1 3.73Å; V61-L87 HydrophobicContact CB-CD2 4.2Å; V61-L87 HydrophobicContact CG1-CD2 3.63Å; V61-L87 HydrophobicContact CG2-CD2 3.49Å; V61-L87 VanDerWaalsContact CG2-CD2 3.49Å; F67-L87 HydrophobicContact CZ-CB 3.9Å; F67-L87 HydrophobicContact CZ-CD2 4.06Å; L69-L87 HydrophobicContact CD2-CD1 3.94Å; F84-L87 HydrophobicContact CB-CD1 4.38Å; F84-L87 HydrophobicContact CD1-CD1 3.66Å; F84-L87 HydrophobicContact CE1-CD1 4.37Å; F84-L87 HydrophobicContact CG-CD1 4.35Å; F84-L87 WeakPolarHBondContact O-CB 3.32Å; F84-L87 PolarHBondContact O-N 3.32Å; S85-L87 VanDerWaalsContact C-N 3.3Å; L87-N89 PolarHBondContact O-N 3.03Å; L87-A90 WeakPolarHBondContact O-CB 3.41Å; L87-A90 PolarHBondContact O-N 2.86Å; L87-L111 HydrophobicContact CB-CD2 3.95Å; L87-L111 WeakPolarHBondContact O-CD2 3.43Å
88	T	86.9	Confident	88.7	Confident	56 Å²	56	35 Å²	35	34%	0.344	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-21	-166.1	61.5	0	0	0	0	116.9	G110	T88-G110 WeakPolarHBondContact CA-O 3.21Å
89	N	88.4	Confident	88.6	Confident	30 Å²	30	36.3 Å²	36.3	16%	0.16	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	11.6	-176	-52	-12.8	0	0	0	113.2	P63 R65 P66 F67 L87	P63-N89 VanDerWaalsContact C-ND2 3.27Å; P63-N89 PolarHBondContact O-ND2 2.84Å; R65-N89 WeakPolarHBondContact O-CB 3.41Å; R65-N89 PolarHBondContact O-ND2 3.07Å; R65-N89 VanDerWaalsContact O-ND2 3.13Å; P66-N89 WeakPolarHBondContact CA-O 3.47Å; F67-N89 HydrophobicContact CD1-CB 4.11Å; F67-N89 HydrophobicContact CE1-CB 4.01Å; F67-N89 PolarHBondContact N-O 2.84Å; F67-N89 VanDerWaalsContact N-O 3.09Å; L87-N89 PolarHBondContact O-N 3.03Å
90	A	89.8	Confident	88.7	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	134.9	174.6	0	0	0	0	0	111	F67 L87 I93 L111 L113 L114	F67-A90 HydrophobicContact CD2-CB 4.24Å; F67-A90 HydrophobicContact CE1-CB 4.47Å; F67-A90 HydrophobicContact CE2-CB 3.63Å; F67-A90 HydrophobicContact CZ-CB 3.76Å; F67-A90 CarbonylContact O-C 3.5Å; F67-A90 WeakPolarHBondContact O-CA 3.34Å; L87-A90 WeakPolarHBondContact O-CB 3.41Å; L87-A90 PolarHBondContact O-N 2.86Å; A90-I93 HydrophobicContact CB-CD1 3.8Å; A90-I93 HydrophobicContact CB-CG1 3.95Å; A90-L111 HydrophobicContact CB-CD2 4.01Å; A90-L113 CarbonylContact O-C 3.06Å; A90-L114 HydrophobicContact CB-CD1 3.8Å; A90-L114 WeakPolarHBondContact O-CA 3.28Å; A90-L114 PolarHBondContact O-N 3.33Å
91	I	89.3	Confident	88.7	Confident	46 Å²	46	35 Å²	35	24%	0.236	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-42	175.3	-67	-175.5	0	0	0	110.9	P66 F67 K115 Q116	P66-I91 HydrophobicContact CB-CD1 3.61Å; P66-I91 HydrophobicContact CB-CG1 4.17Å; F67-I91 PolarHBondContact O-N 2.84Å; I91-K115 HydrophobicContact CG2-CB 4.46Å; I91-K115 HydrophobicContact CG2-CD 4.13Å; I91-K115 PolarHBondContact O-N 2.98Å; I91-Q116 PolarHBondContact O-N 2.86Å; I91-Q116 VanDerWaalsContact O-N 3.15Å
92	S	89.6	Confident	88.7	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	143.1	169.2	-172	0	0	0	0	110.7	Q68 L69 H94 Q116	Q68-S92 WeakPolarHBondContact CA-O 3.25Å; L69-S92 PolarHBondContact N-O 3.26Å; S92-H94 PolarHBondContact OG-CD2 3.27Å; S92-H94 VanDerWaalsContact OG-CD2 3.3Å; S92-H94 PolarHBondContact OG-NE2 3.03Å; S92-Q116 WeakPolarHBondContact CA-O 3.26Å; S92-Q116 WeakPolarHBondContact OG-CB 3.5Å
93	I	93	Very high	89	Confident	0 Å²	0	31 Å²	31	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	125.8	172.5	-74	171.4	0	0	0	108.6	L69 F84 A90 L95 L111 L114 Q116 L117 H118	L69-I93 HydrophobicContact CB-CG1 4.3Å; L69-I93 WeakPolarHBondContact O-CA 3.34Å; F84-I93 HydrophobicContact CD1-CD1 3.83Å; F84-I93 HydrophobicContact CE1-CD1 4.11Å; F84-I93 HydrophobicContact CE1-CG2 4.2Å; A90-I93 HydrophobicContact CB-CD1 3.8Å; A90-I93 HydrophobicContact CB-CG1 3.95Å; I93-L95 HydrophobicContact CG2-CD1 3.74Å; I93-L95 HydrophobicContact CG2-CD2 4.39Å; I93-L95 HydrophobicContact CG2-CG 3.7Å; I93-L111 HydrophobicContact CD1-CD1 3.67Å; I93-L111 HydrophobicContact CD1-CD2 3.75Å; I93-L111 HydrophobicContact CD1-CG 4.38Å; I93-L114 HydrophobicContact CB-CD1 4.09Å; I93-L114 HydrophobicContact CB-CD2 4.42Å; I93-L114 HydrophobicContact CD1-CD1 3.78Å; I93-L114 HydrophobicContact CD1-CD2 4.3Å; I93-L114 HydrophobicContact CG1-CD1 3.69Å; I93-Q116 PolarHBondContact N-O 2.89Å; I93-Q116 VanDerWaalsContact N-O 3.12Å; I93-L117 HydrophobicContact CB-CD1 4.17Å; I93-L117 HydrophobicContact CG2-CD1 3.96Å; I93-L117 WeakPolarHBondContact O-CA 3.24Å; I93-H118 PolarHBondContact O-N 3.41Å
94	H	89.3	Confident	89.2	Confident	53 Å²	53	32.7 Å²	32.7	25%	0.245	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	115.5	175.3	-59.7	-120	0	0	0	109.3	L69 L71 L72 S92 H118	L69-H94 PolarHBondContact O-N 2.01Å; L71-H94 CarbonylContact C-O 3.57Å; L71-H94 WeakPolarHBondContact CA-O 3.25Å; L71-H94 WeakPolarHBondContact CB-O 3.39Å; L71-H94 PolarHBondContact N-O 3.1Å; L72-H94 HydrophobicContact CD1-CB 4.49Å; L72-H94 HydrophobicContact CD2-CB 4.07Å; L72-H94 HydrophobicContact CG-CB 4.07Å; S92-H94 PolarHBondContact OG-CD2 3.27Å; S92-H94 VanDerWaalsContact OG-CD2 3.3Å; S92-H94 PolarHBondContact OG-NE2 3.03Å; H94-H118 HydrophobicContact CB-CB 4.42Å; H94-H118 AromaticContact CD2-CD2 3.89Å; H94-H118 AromaticContact CE1-CD2 3.31Å; H94-H118 PolarHBondContact CE1-CD2 3.39Å; H94-H118 AromaticContact CE1-CE1 3.76Å; H94-H118 AromaticContact CE1-CG 3.85Å; H94-H118 AromaticContact CE1-NE2 3.29Å; H94-H118 PolarHBondContact CE1-NE2 2.04Å; H94-H118 VanDerWaalsContact CE1-NE2 3.29Å; H94-H118 AromaticContact CG-CD2 3.77Å; H94-H118 AromaticContact ND1-CD2 3.42Å; H94-H118 PolarHBondContact ND1-CD2 2.86Å; H94-H118 AromaticContact ND1-CG 3.59Å; H94-H118 AromaticContact ND1-NE2 3.85Å; H94-H118 AromaticContact NE2-CD2 3.61Å; H94-H118 AromaticContact NE2-NE2 3.67Å
95	L	92.5	Very high	89.2	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.216	C	C	.	.			trans	-117.9	14.1	179.6	-66.2	160.4	0	0	0	111.3	L71 L76 L79 F84 I93 N98 I100 F108 L117 H118 I119 N122	L71-L95 HydrophobicContact CB-CD2 4.03Å; L71-L95 HydrophobicContact CD1-CD2 3.79Å; L76-L95 HydrophobicContact CD1-CD2 3.53Å; L79-L95 HydrophobicContact CD1-CD1 4.13Å; F84-L95 HydrophobicContact CE1-CD1 4.3Å; F84-L95 HydrophobicContact CE1-CD2 4.48Å; F84-L95 HydrophobicContact CZ-CD1 3.84Å; F84-L95 HydrophobicContact CZ-CD2 4.13Å; I93-L95 HydrophobicContact CG2-CD1 3.74Å; I93-L95 HydrophobicContact CG2-CD2 4.39Å; I93-L95 HydrophobicContact CG2-CG 3.7Å; L95-N98 PolarHBondContact O-ND2 3.22Å; L95-I100 HydrophobicContact CB-CD1 4.19Å; L95-F108 HydrophobicContact CD1-CE1 4.32Å; L95-L117 HydrophobicContact CD1-CD1 4.11Å; L95-H118 WeakPolarHBondContact CA-O 3.31Å; L95-H118 PolarHBondContact N-O 3.26Å; L95-I119 HydrophobicContact CB-CG2 4.18Å; L95-I119 HydrophobicContact CD1-CG2 4.16Å; L95-N122 PolarHBondContact O-ND2 2.98Å
96	G	86.8	Confident	89.3	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	161.7	-178.7	0	0	0	0	0	114.1	L72 N73 N98 N120	L72-G96 WeakPolarHBondContact CA-O 3.19Å; N73-G96 PolarHBondContact N-O 3.18Å; G96-N98 PolarHBondContact O-N 3.46Å; G96-N98 VanDerWaalsContact O-N 3.14Å; G96-N98 PolarHBondContact O-ND2 3.23Å; G96-N120 WeakPolarHBondContact CA-O 3.5Å; G96-N120 WeakPolarHBondContact CA-OD1 3.03Å
97	F	83.2	Confident	90	Very high	97 Å²	97	31.6 Å²	31.6	43%	0.425	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	31.6	179.9	-61.5	-87.6	0	0	0	113.8	L72 N73 N120 H121	L72-F97 HydrophobicContact CD2-CD2 4.41Å; N73-F97 WeakPolarHBondContact CA-O 3.48Å; F97-N120 PolarHBondContact N-O 3.36Å; F97-H121 VanDerWaalsContact CA-O 3.24Å; F97-H121 WeakPolarHBondContact CA-O 3.36Å; F97-H121 HydrophobicContact CD1-CB 3.75Å; F97-H121 AromaticContact CD1-CD2 3.95Å; F97-H121 HydrophobicContact CD2-CB 4.28Å; F97-H121 HydrophobicContact CE1-CB 3.83Å; F97-H121 AromaticContact CE1-CD2 3.19Å; F97-H121 WeakPolarHBondContact CE1-CD2 3.36Å; F97-H121 AromaticContact CE1-CG 3.61Å; F97-H121 AromaticContact CE1-NE2 3.9Å; F97-H121 HydrophobicContact CE2-CB 4.34Å; F97-H121 HydrophobicContact CG-CB 3.99Å; F97-H121 HydrophobicContact CZ-CB 4.12Å; F97-H121 AromaticContact CZ-CD2 3.49Å; F97-H121 VanDerWaalsContact CZ-CD2 3.49Å; F97-H121 WeakPolarHBondContact CZ-CD2 3.33Å; F97-H121 AromaticContact CZ-CG 3.67Å; F97-H121 AromaticContact CZ-NE2 3.82Å; F97-H121 PolarHBondContact N-O 2.89Å
98	N	87.9	Confident	90.3	Very high	12 Å²	12	31.4 Å²	31.4	6%	0.064	17%	0.168	C	C	.	.	S	Bend	trans	-103.3	179.3	170.7	-80.3	-108	0	0	0	109.3	L71 N74 L76 L95 G96 I100 N122	L71-N98 PolarHBondContact O-ND2 3.26Å; N74-N98 WeakPolarHBondContact CA-OD1 3.26Å; N74-N98 WeakPolarHBondContact CB-OD1 3Å; N74-N98 PolarHBondContact N-OD1 2.94Å; N74-N98 PolarHBondContact O-OD1 3.34Å; N74-N98 VanDerWaalsContact O-OD1 3.06Å; L76-N98 HydrophobicContact CB-CB 4.24Å; L76-N98 VanDerWaalsContact CB-OD1 3.26Å; L76-N98 WeakPolarHBondContact CB-OD1 3.48Å; L76-N98 VanDerWaalsContact CG-OD1 3.28Å; L76-N98 WeakPolarHBondContact CG-OD1 3.35Å; L76-N98 PolarHBondContact N-OD1 2.88Å; L95-N98 PolarHBondContact O-ND2 3.22Å; G96-N98 PolarHBondContact O-N 3.46Å; G96-N98 VanDerWaalsContact O-N 3.14Å; G96-N98 PolarHBondContact O-ND2 3.23Å; N98-I100 HydrophobicContact CB-CD1 4.17Å; N98-I100 HydrophobicContact CB-CG1 3.96Å; N98-N122 VanDerWaalsContact CB-OD1 3.29Å; N98-N122 WeakPolarHBondContact CB-OD1 3.12Å; N98-N122 PolarHBondContact O-OD1 3.04Å; N98-N122 VanDerWaalsContact O-OD1 3.09Å
99	N	90.5	Very high	90.5	Very high	98 Å²	98	30.8 Å²	30.8	52%	0.524	16%	0.163	S	C	.	.			trans	-105.9	33.9	177.7	-155.9	113.7	0	0	0	111	L76 T77 A101	L76-N99 CarbonylContact O-C 3.2Å; L76-N99 WeakPolarHBondContact O-CA 3.42Å; L76-N99 PolarHBondContact O-N 2.84Å; T77-N99 WeakPolarHBondContact CA-O 2.98Å; T77-N99 HydrophobicContact CG2-CB 4.41Å; N99-A101 PolarHBondContact O-N 2.94Å; N99-A101 VanDerWaalsContact O-N 3.16Å
100	I	94.8	Very high	90.3	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	18%	0.175	C	C	.	.			trans	-68.5	116.5	-175.7	-55.1	168	0	0	0	108.6	L76 T77 L79 L95 N98 I103 N122 S123 L124	L76-I100 HydrophobicContact CB-CD1 4.13Å; L76-I100 HydrophobicContact CB-CG1 3.82Å; L76-I100 HydrophobicContact CD1-CD1 4.44Å; L76-I100 PolarHBondContact O-N 2.81Å; T77-I100 WeakPolarHBondContact O-CA 3.42Å; L79-I100 HydrophobicContact CD1-CD1 4.21Å; L79-I100 HydrophobicContact CD2-CD1 4.12Å; L79-I100 HydrophobicContact CG-CD1 4.18Å; L79-I100 HydrophobicContact CG-CG2 4.13Å; L95-I100 HydrophobicContact CB-CD1 4.19Å; N98-I100 HydrophobicContact CB-CD1 4.17Å; N98-I100 HydrophobicContact CB-CG1 3.96Å; I100-I103 HydrophobicContact CG2-CG1 4.09Å; I100-N122 WeakPolarHBondContact CB-OD1 3.39Å; I100-N122 VanDerWaalsContact CG1-OD1 3.27Å; I100-N122 WeakPolarHBondContact CG1-OD1 3.14Å; I100-N122 PolarHBondContact N-OD1 3.19Å; I100-S123 CarbonylContact O-C 3.58Å; I100-S123 VanDerWaalsContact O-C 3.22Å; I100-S123 WeakPolarHBondContact O-CA 3.44Å; I100-S123 PolarHBondContact O-N 3.33Å; I100-L124 HydrophobicContact CG2-CD2 3.96Å; I100-L124 PolarHBondContact O-N 2.9Å
101	A	92.5	Very high	90.3	Very high	54 Å²	54	31.3 Å²	31.3	45%	0.446	18%	0.175	S	C	.	.			trans	-102.9	-25.1	-179.4	0	0	0	0	0	113.1	T77 N99	T77-A101 PolarHBondContact O-N 3.21Å; N99-A101 PolarHBondContact O-N 2.94Å; N99-A101 VanDerWaalsContact O-N 3.16Å
102	D	91.7	Very high	90.3	Very high	49 Å²	49	30.5 Å²	30.5	26%	0.262	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	153.5	178.4	-159.3	-1.8	0	0	0	112	M78 L79 K128	M78-D102 WeakPolarHBondContact CA-O 3.36Å; M78-D102 HydrophobicContact CE-CB 3.84Å; L79-D102 PolarHBondContact N-O 3.16Å; L79-D102 VanDerWaalsContact N-O 3.13Å; D102-K128 WeakPolarHBondContact OD1-CE 3.38Å; D102-K128 IonicContact OD1-NZ 3.82Å; D102-K128 PolarHBondContact OD1-NZ 3.3Å; D102-K128 IonicContact OD2-NZ 3.23Å; D102-K128 PolarHBondContact OD2-NZ 2.8Å
103	I	94.5	Very high	90.3	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.026	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	120.6	179.4	-58.1	178.6	0	0	0	107.4	L79 I100 A107 F108 L124 T131	L79-I103 HydrophobicContact CB-CG1 4.43Å; L79-I103 HydrophobicContact CB-CG2 4.29Å; L79-I103 HydrophobicContact CD1-CD1 4.22Å; L79-I103 HydrophobicContact CD1-CG1 4.1Å; L79-I103 HydrophobicContact CD1-CG2 4.49Å; L79-I103 HydrophobicContact CG-CG1 4.42Å; I100-I103 HydrophobicContact CG2-CG1 4.09Å; I103-A107 HydrophobicContact CG2-CB 3.89Å; I103-F108 HydrophobicContact CD1-CE2 4.37Å; I103-F108 HydrophobicContact CD1-CZ 4.22Å; I103-F108 HydrophobicContact CG2-CE2 3.88Å; I103-F108 HydrophobicContact CG2-CZ 4.29Å; I103-L124 HydrophobicContact CD1-CD1 4.14Å; I103-L124 HydrophobicContact CD1-CD2 3.99Å; I103-L124 HydrophobicContact CG1-CD2 3.93Å; I103-T131 HydrophobicContact CB-CG2 4.02Å; I103-T131 HydrophobicContact CD1-CG2 4.35Å; I103-T131 HydrophobicContact CG2-CG2 3.88Å
104	E	92.4	Very high	90.3	Very high	63 Å²	63	35.3 Å²	35.3	29%	0.294	20%	0.203	S	C	.	.			trans	-71.2	147.3	175.3	-69.1	-177.3	-173.6	0	0	112	L79 H80 T81 G106 A107	L79-E104 WeakPolarHBondContact O-CB 3.48Å; L79-E104 PolarHBondContact O-N 2.98Å; H80-E104 WeakPolarHBondContact CA-OE2 3.28Å; H80-E104 IonicContact CE1-OE1 3.65Å; H80-E104 IonicContact CG-OE1 2.78Å; H80-E104 IonicContact ND1-OE1 3.88Å; H80-E104 PolarHBondContact ND1-OE1 3.45Å; H80-E104 IonicContact ND1-OE2 2.72Å; T81-E104 WeakPolarHBondContact CB-OE2 3.19Å; T81-E104 PolarHBondContact N-OE2 3.21Å; T81-E104 WeakPolarHBondContact OG1-CB 3.43Å; T81-E104 PolarHBondContact OG1-OE2 2.97Å; E104-G106 PolarHBondContact O-N 3.08Å; E104-G106 VanDerWaalsContact O-N 3.16Å; E104-A107 WeakPolarHBondContact O-CB 3.32Å; E104-A107 PolarHBondContact O-N 2.8Å
105	I	88.9	Confident	90.4	Very high	92 Å²	92	36.7 Å²	36.7	47%	0.472	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	118.5	179.1	-58.6	176.2	0	0	0	109.1	D130	I105-D130 HydrophobicContact CG2-CB 3.93Å
106	G	88.3	Confident	90.3	Very high	3 Å²	3	37.8 Å²	37.8	3%	0.031	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	18.8	-174.9	0	0	0	0	0	114.9	N82 E104 F108 N109	N82-G106 PolarHBondContact N-O 3.16Å; E104-G106 PolarHBondContact O-N 3.08Å; E104-G106 VanDerWaalsContact O-N 3.16Å; G106-F108 PolarHBondContact O-N 3.04Å; G106-N109 WeakPolarHBondContact CA-OD1 3.49Å; G106-N109 VanDerWaalsContact O-CB 3.25Å; G106-N109 WeakPolarHBondContact O-CB 3.24Å; G106-N109 PolarHBondContact O-N 3.07Å; G106-N109 VanDerWaalsContact O-N 3.17Å; G106-N109 PolarHBondContact O-ND2 3.04Å
107	A	92.5	Very high	90.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-42.7	167.1	0	0	0	0	0	111.9	L79 H80 F84 I103 E104 N109	L79-A107 HydrophobicContact CB-CB 3.99Å; H80-A107 VanDerWaalsContact O-CA 3.28Å; H80-A107 WeakPolarHBondContact O-CA 3.28Å; H80-A107 WeakPolarHBondContact O-CB 3.45Å; F84-A107 WeakPolarHBondContact CD2-O 3.5Å; F84-A107 PolarHBondContact N-O 2.87Å; I103-A107 HydrophobicContact CG2-CB 3.89Å; E104-A107 WeakPolarHBondContact O-CB 3.32Å; E104-A107 PolarHBondContact O-N 2.8Å; A107-N109 PolarHBondContact O-N 3.39Å
108	F	93.7	Very high	91	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	11.7	179.2	-55.2	-62.2	0	0	0	114.8	L79 F84 L95 I103 G106 G110 L111 L117 T131 F132 L135	L79-F108 HydrophobicContact CD1-CE1 4.03Å; L79-F108 HydrophobicContact CD1-CZ 3.95Å; F84-F108 HydrophobicContact CD2-CD1 4.06Å; F84-F108 HydrophobicContact CD2-CE1 4.46Å; F84-F108 HydrophobicContact CE2-CD1 4.17Å; F84-F108 HydrophobicContact CE2-CE1 4.1Å; F84-F108 HydrophobicContact CG-CD1 4.44Å; F84-F108 HydrophobicContact CZ-CE1 4.35Å; L95-F108 HydrophobicContact CD1-CE1 4.32Å; I103-F108 HydrophobicContact CD1-CE2 4.37Å; I103-F108 HydrophobicContact CD1-CZ 4.22Å; I103-F108 HydrophobicContact CG2-CE2 3.88Å; I103-F108 HydrophobicContact CG2-CZ 4.29Å; G106-F108 PolarHBondContact O-N 3.04Å; F108-G110 PolarHBondContact O-N 2.94Å; F108-L111 HydrophobicContact CB-CD1 4.01Å; F108-L111 HydrophobicContact CD1-CD1 3.83Å; F108-L111 HydrophobicContact CG-CD1 4.39Å; F108-L111 WeakPolarHBondContact O-CB 3.33Å; F108-L111 PolarHBondContact O-N 3.13Å; F108-L117 HydrophobicContact CE1-CD1 4.44Å; F108-L117 HydrophobicContact CE1-CD2 4.14Å; F108-L117 HydrophobicContact CE2-CD2 4.36Å; F108-L117 HydrophobicContact CZ-CD2 3.98Å; F108-T131 WeakPolarHBondContact CD2-O 2.93Å; F108-F132 HydrophobicContact CD2-CD1 4.37Å; F108-F132 AromaticContact CE2-CD1 3.97Å; F108-F132 HydrophobicContact CE2-CD1 3.97Å; F108-F132 HydrophobicContact CE2-CE1 4.29Å; F108-L135 HydrophobicContact CB-CD1 4.03Å; F108-L135 HydrophobicContact CB-CD2 3.92Å; F108-L135 HydrophobicContact CB-CG 3.78Å; F108-L135 HydrophobicContact CD1-CD1 4.46Å; F108-L135 HydrophobicContact CD2-CD1 3.88Å; F108-L135 HydrophobicContact CE2-CD1 4.46Å; F108-L135 HydrophobicContact CG-CD1 3.87Å; F108-L135 HydrophobicContact CG-CD2 4.43Å; F108-L135 HydrophobicContact CG-CG 4.2Å
109	N	90.4	Very high	91.3	Very high	44 Å²	44	33.3 Å²	33.3	24%	0.235	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	130.5	177	-78.8	-13	0	0	0	111.7	N82 S85 G106 A107	N82-N109 VanDerWaalsContact OD1-CB 3.31Å; N82-N109 WeakPolarHBondContact OD1-CB 3.45Å; N82-N109 PolarHBondContact OD1-ND2 2.92Å; S85-N109 WeakPolarHBondContact CA-O 3.46Å; S85-N109 PolarHBondContact N-O 3.44Å; G106-N109 WeakPolarHBondContact CA-OD1 3.49Å; G106-N109 VanDerWaalsContact O-CB 3.25Å; G106-N109 WeakPolarHBondContact O-CB 3.24Å; G106-N109 PolarHBondContact O-N 3.07Å; G106-N109 VanDerWaalsContact O-N 3.17Å; G106-N109 PolarHBondContact O-ND2 3.04Å; A107-N109 PolarHBondContact O-N 3.39Å
110	G	83.8	Confident	91.2	Very high	40 Å²	40	29.3 Å²	29.3	41%	0.412	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.3	-16.1	-179	0	0	0	0	0	114.8	T88 F108 G112	T88-G110 WeakPolarHBondContact CA-O 3.21Å; F108-G110 PolarHBondContact O-N 2.94Å; G110-G112 PolarHBondContact O-N 3.28Å
111	L	91.1	Very high	90.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.186	C	C	.	.			trans	-77.4	36.8	179.2	-66.8	179.5	0	0	0	114.2	F84 L87 A90 I93 F108 L113 L114 L135	F84-L111 HydrophobicContact CB-CD1 3.55Å; F84-L111 HydrophobicContact CB-CD2 4Å; F84-L111 HydrophobicContact CB-CG 3.67Å; F84-L111 HydrophobicContact CD1-CD1 3.85Å; F84-L111 HydrophobicContact CG-CD1 3.77Å; F84-L111 HydrophobicContact CG-CG 4.42Å; L87-L111 HydrophobicContact CB-CD2 3.95Å; L87-L111 WeakPolarHBondContact O-CD2 3.43Å; A90-L111 HydrophobicContact CB-CD2 4.01Å; I93-L111 HydrophobicContact CD1-CD1 3.67Å; I93-L111 HydrophobicContact CD1-CD2 3.75Å; I93-L111 HydrophobicContact CD1-CG 4.38Å; F108-L111 HydrophobicContact CB-CD1 4.01Å; F108-L111 HydrophobicContact CD1-CD1 3.83Å; F108-L111 HydrophobicContact CG-CD1 4.39Å; F108-L111 WeakPolarHBondContact O-CB 3.33Å; F108-L111 PolarHBondContact O-N 3.13Å; L111-L113 PolarHBondContact O-N 3.46Å; L111-L114 HydrophobicContact CB-CB 4.27Å; L111-L114 HydrophobicContact CD1-CD2 4.37Å; L111-L114 WeakPolarHBondContact O-CB 3.46Å; L111-L114 PolarHBondContact O-N 2.89Å; L111-L135 HydrophobicContact CB-CD2 3.57Å; L111-L135 HydrophobicContact CD1-CD2 4.04Å; L111-L135 HydrophobicContact CG-CD2 4.5Å
112	G	87.9	Confident	90.7	Very high	29 Å²	29	30 Å²	30	30%	0.299	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-10.4	-173.8	0	0	0	0	0	115.5	G110 G134 N137	G110-G112 PolarHBondContact O-N 3.28Å; G112-G134 WeakPolarHBondContact CA-O 3.39Å; G112-N137 PolarHBondContact O-ND2 3.08Å
113	L	90.4	Very high	90.8	Very high	101 Å²	101	29 Å²	29	53%	0.529	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-3	175.8	-65.7	178.4	0	0	0	114.1	A90 L111 K115	A90-L113 CarbonylContact O-C 3.06Å; L111-L113 PolarHBondContact O-N 3.46Å; L113-K115 PolarHBondContact O-N 2.78Å
114	L	94.1	Very high	90.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.163	C	C	.	.			trans	-68	130.8	-176.4	-162.1	77.1	0	0	0	111.2	A90 I93 L111 Q116 L117 L135 N137 L138	A90-L114 HydrophobicContact CB-CD1 3.8Å; A90-L114 WeakPolarHBondContact O-CA 3.28Å; A90-L114 PolarHBondContact O-N 3.33Å; I93-L114 HydrophobicContact CB-CD1 4.09Å; I93-L114 HydrophobicContact CB-CD2 4.42Å; I93-L114 HydrophobicContact CD1-CD1 3.78Å; I93-L114 HydrophobicContact CD1-CD2 4.3Å; I93-L114 HydrophobicContact CG1-CD1 3.69Å; L111-L114 HydrophobicContact CB-CB 4.27Å; L111-L114 HydrophobicContact CD1-CD2 4.37Å; L111-L114 WeakPolarHBondContact O-CB 3.46Å; L111-L114 PolarHBondContact O-N 2.89Å; L114-Q116 WeakPolarHBondContact CG-O 3.26Å; L114-L117 HydrophobicContact CD2-CB 4.01Å; L114-L117 HydrophobicContact CD2-CD1 4.39Å; L114-L135 HydrophobicContact CB-CD2 4.02Å; L114-L135 HydrophobicContact CD2-CD2 3.65Å; L114-L135 HydrophobicContact CG-CD2 4.47Å; L114-N137 CarbonylContact O-C 3.43Å; L114-L138 HydrophobicContact CD2-CD1 3.97Å; L114-L138 HydrophobicContact CG-CD1 4.18Å; L114-L138 VanDerWaalsContact O-CA 3.31Å; L114-L138 WeakPolarHBondContact O-CA 3.33Å; L114-L138 PolarHBondContact O-N 3.09Å; L114-L138 VanDerWaalsContact O-N 3.15Å
115	K	90	Very high	90.8	Very high	83 Å²	83	32 Å²	32	36%	0.361	18%	0.177	S	C	.	.			trans	-105.9	-31.9	176.9	-76.7	169.6	165.5	-87.5	0	112.8	I91 L113 E139 F140	I91-K115 HydrophobicContact CG2-CB 4.46Å; I91-K115 HydrophobicContact CG2-CD 4.13Å; I91-K115 PolarHBondContact O-N 2.98Å; L113-K115 PolarHBondContact O-N 2.78Å; K115-E139 IonicContact NZ-OE1 3.51Å; K115-E139 PolarHBondContact NZ-OE1 3.47Å; K115-E139 PolarHBondContact O-N 2.81Å; K115-F140 PolarHBondContact O-N 3.46Å
116	Q	90.7	Very high	90.9	Very high	23 Å²	23	31.1 Å²	31.1	11%	0.107	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	131.6	-174.1	-77	162.4	-24.5	0	0	110.3	I91 S92 I93 L114 F140	I91-Q116 PolarHBondContact O-N 2.86Å; I91-Q116 VanDerWaalsContact O-N 3.15Å; S92-Q116 WeakPolarHBondContact CA-O 3.26Å; S92-Q116 WeakPolarHBondContact OG-CB 3.5Å; I93-Q116 PolarHBondContact N-O 2.89Å; I93-Q116 VanDerWaalsContact N-O 3.12Å; L114-Q116 WeakPolarHBondContact CG-O 3.26Å; Q116-F140 HydrophobicContact CG-CB 3.96Å; Q116-F140 HydrophobicContact CG-CD1 4.39Å; Q116-F140 HydrophobicContact CG-CG 4.26Å
117	L	95	Very high	91.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	123	174	179	58.5	0	0	0	109.8	I93 L95 F108 L114 I119 F132 L135 L138 F140 L141 Q142	I93-L117 HydrophobicContact CB-CD1 4.17Å; I93-L117 HydrophobicContact CG2-CD1 3.96Å; I93-L117 WeakPolarHBondContact O-CA 3.24Å; L95-L117 HydrophobicContact CD1-CD1 4.11Å; F108-L117 HydrophobicContact CE1-CD1 4.44Å; F108-L117 HydrophobicContact CE1-CD2 4.14Å; F108-L117 HydrophobicContact CE2-CD2 4.36Å; F108-L117 HydrophobicContact CZ-CD2 3.98Å; L114-L117 HydrophobicContact CD2-CB 4.01Å; L114-L117 HydrophobicContact CD2-CD1 4.39Å; L117-I119 HydrophobicContact CD1-CG2 4.08Å; L117-I119 HydrophobicContact CG-CG2 4.18Å; L117-F132 HydrophobicContact CD2-CD1 4.24Å; L117-F132 HydrophobicContact CD2-CE1 4.28Å; L117-L135 HydrophobicContact CD2-CD1 3.6Å; L117-L138 HydrophobicContact CB-CD1 3.77Å; L117-L138 HydrophobicContact CB-CD2 4.34Å; L117-F140 PolarHBondContact N-O 2.81Å; L117-F140 VanDerWaalsContact N-O 3.12Å; L117-L141 HydrophobicContact CB-CD1 4.05Å; L117-L141 HydrophobicContact CD2-CD1 3.96Å; L117-L141 HydrophobicContact CG-CD1 3.98Å; L117-L141 WeakPolarHBondContact O-CA 3.43Å; L117-Q142 PolarHBondContact O-N 2.89Å
118	H	89.4	Confident	91.2	Very high	14 Å²	14	33.9 Å²	33.9	7%	0.065	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	115.5	176.2	-52	-110.8	0	0	0	109	I93 H94 L95 F140 Q142	I93-H118 PolarHBondContact O-N 3.41Å; H94-H118 HydrophobicContact CB-CB 4.42Å; H94-H118 AromaticContact CD2-CD2 3.89Å; H94-H118 AromaticContact CE1-CD2 3.31Å; H94-H118 PolarHBondContact CE1-CD2 3.39Å; H94-H118 AromaticContact CE1-CE1 3.76Å; H94-H118 AromaticContact CE1-CG 3.85Å; H94-H118 AromaticContact CE1-NE2 3.29Å; H94-H118 PolarHBondContact CE1-NE2 2.04Å; H94-H118 VanDerWaalsContact CE1-NE2 3.29Å; H94-H118 AromaticContact CG-CD2 3.77Å; H94-H118 AromaticContact ND1-CD2 3.42Å; H94-H118 PolarHBondContact ND1-CD2 2.86Å; H94-H118 AromaticContact ND1-CG 3.59Å; H94-H118 AromaticContact ND1-NE2 3.85Å; H94-H118 AromaticContact NE2-CD2 3.61Å; H94-H118 AromaticContact NE2-NE2 3.67Å; L95-H118 WeakPolarHBondContact CA-O 3.31Å; L95-H118 PolarHBondContact N-O 3.26Å; H118-F140 AromaticContact CE1-CE1 3.18Å; H118-F140 WeakPolarHBondContact CE1-CE1 3.19Å; H118-F140 AromaticContact CE1-CZ 3.53Å; H118-F140 AromaticContact ND1-CE1 3.54Å; H118-F140 AromaticContact NE2-CE1 3.68Å; H118-Q142 HydrophobicContact CB-CB 4.5Å; H118-Q142 PolarHBondContact ND1-OE1 2.84Å
119	I	94	Very high	91	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.207	C	C	.	.			trans	-124.2	24.6	176	54.6	170.2	0	0	0	110.7	L95 L117 N122 L124 F132 L141 Q142 A143 N146	L95-I119 HydrophobicContact CB-CG2 4.18Å; L95-I119 HydrophobicContact CD1-CG2 4.16Å; L117-I119 HydrophobicContact CD1-CG2 4.08Å; L117-I119 HydrophobicContact CG-CG2 4.18Å; I119-N122 PolarHBondContact O-ND2 3.32Å; I119-L124 HydrophobicContact CD1-CD1 3.88Å; I119-F132 HydrophobicContact CD1-CE1 3.94Å; I119-F132 HydrophobicContact CD1-CZ 4.02Å; I119-L141 HydrophobicContact CD1-CD1 4.27Å; I119-L141 HydrophobicContact CG1-CD1 4.28Å; I119-Q142 WeakPolarHBondContact CG1-O 3.37Å; I119-Q142 PolarHBondContact N-O 3.2Å; I119-A143 HydrophobicContact CD1-CB 3.93Å; I119-A143 HydrophobicContact CG1-CB 3.77Å; I119-N146 PolarHBondContact O-ND2 2.66Å
120	N	88.8	Confident	90.9	Very high	13 Å²	13	38.2 Å²	38.2	7%	0.07	20%	0.204	C	C	.	.			trans	-56.5	156.6	176.1	61.2	-67.6	0	0	0	112.7	G96 F97 N122 Q142 D144	G96-N120 WeakPolarHBondContact CA-O 3.5Å; G96-N120 WeakPolarHBondContact CA-OD1 3.03Å; F97-N120 PolarHBondContact N-O 3.36Å; N120-N122 PolarHBondContact O-N 2.78Å; N120-N122 PolarHBondContact O-ND2 3.47Å; N120-Q142 HydrophobicContact CB-CG 4.16Å; N120-Q142 PolarHBondContact N-O 2.98Å; N120-D144 CarbonylContact C-O 3.53Å; N120-D144 WeakPolarHBondContact CA-O 3.21Å; N120-D144 WeakPolarHBondContact CB-OD1 3.36Å; N120-D144 VanDerWaalsContact CB-OD2 3.32Å; N120-D144 WeakPolarHBondContact CB-OD2 3.29Å
121	H	85.1	Confident	91.2	Very high	65 Å²	65	36.5 Å²	36.5	30%	0.301	19%	0.185	S	C	.	.	S	Bend	trans	52	51.9	169.6	-68.4	66.4	0	0	0	112.7	F97 D144 N145	F97-H121 VanDerWaalsContact CA-O 3.24Å; F97-H121 WeakPolarHBondContact CA-O 3.36Å; F97-H121 HydrophobicContact CD1-CB 3.75Å; F97-H121 AromaticContact CD1-CD2 3.95Å; F97-H121 HydrophobicContact CD2-CB 4.28Å; F97-H121 HydrophobicContact CE1-CB 3.83Å; F97-H121 AromaticContact CE1-CD2 3.19Å; F97-H121 WeakPolarHBondContact CE1-CD2 3.36Å; F97-H121 AromaticContact CE1-CG 3.61Å; F97-H121 AromaticContact CE1-NE2 3.9Å; F97-H121 HydrophobicContact CE2-CB 4.34Å; F97-H121 HydrophobicContact CG-CB 3.99Å; F97-H121 HydrophobicContact CZ-CB 4.12Å; F97-H121 AromaticContact CZ-CD2 3.49Å; F97-H121 VanDerWaalsContact CZ-CD2 3.49Å; F97-H121 WeakPolarHBondContact CZ-CD2 3.33Å; F97-H121 AromaticContact CZ-CG 3.67Å; F97-H121 AromaticContact CZ-NE2 3.82Å; F97-H121 PolarHBondContact N-O 2.89Å; H121-D144 IonicContact CE1-OD2 2.94Å; H121-D144 PolarHBondContact CE1-OD2 3.2Å; H121-D144 PolarHBondContact N-O 3.06Å; H121-D144 IonicContact ND1-OD2 2.67Å; H121-D144 PolarHBondContact ND1-OD2 3.16Å; H121-N145 VanDerWaalsContact CA-O 3.28Å; H121-N145 WeakPolarHBondContact CA-O 2.75Å; H121-N145 PolarHBondContact CE1-ND2 3.21Å; H121-N145 PolarHBondContact NE2-ND2 3.08Å
122	N	91.2	Very high	91.3	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.027	19%	0.186	C	C	.	.	S	Bend	trans	-126.3	-171.4	179.7	-92.8	-89.2	0	0	0	110.2	L95 N98 I100 I119 N120 N146	L95-N122 PolarHBondContact O-ND2 2.98Å; N98-N122 VanDerWaalsContact CB-OD1 3.29Å; N98-N122 WeakPolarHBondContact CB-OD1 3.12Å; N98-N122 PolarHBondContact O-OD1 3.04Å; N98-N122 VanDerWaalsContact O-OD1 3.09Å; I100-N122 WeakPolarHBondContact CB-OD1 3.39Å; I100-N122 VanDerWaalsContact CG1-OD1 3.27Å; I100-N122 WeakPolarHBondContact CG1-OD1 3.14Å; I100-N122 PolarHBondContact N-OD1 3.19Å; I119-N122 PolarHBondContact O-ND2 3.32Å; N120-N122 PolarHBondContact O-N 2.78Å; N120-N122 PolarHBondContact O-ND2 3.47Å; N122-N146 WeakPolarHBondContact CA-OD1 3.28Å; N122-N146 WeakPolarHBondContact CB-OD1 3.32Å; N122-N146 PolarHBondContact N-ND2 2.73Å; N122-N146 PolarHBondContact O-OD1 2.7Å
123	S	93.7	Very high	91.4	Very high	27 Å²	27	38.8 Å²	38.8	19%	0.189	19%	0.188	C	C	.	.			trans	-110.8	24.7	-175.3	-59.7	0	0	0	0	113.9	I100 E125	I100-S123 CarbonylContact O-C 3.58Å; I100-S123 VanDerWaalsContact O-C 3.22Å; I100-S123 WeakPolarHBondContact O-CA 3.44Å; I100-S123 PolarHBondContact O-N 3.33Å; S123-E125 PolarHBondContact O-N 3.18Å
124	L	94.5	Very high	91.3	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.021	17%	0.17	C	C	.	.			trans	-69.9	125.1	-175.3	-60.1	172.5	0	0	0	111.4	I100 I103 I119 N146 F147 I148	I100-L124 HydrophobicContact CG2-CD2 3.96Å; I100-L124 PolarHBondContact O-N 2.9Å; I103-L124 HydrophobicContact CD1-CD1 4.14Å; I103-L124 HydrophobicContact CD1-CD2 3.99Å; I103-L124 HydrophobicContact CG1-CD2 3.93Å; I119-L124 HydrophobicContact CD1-CD1 3.88Å; L124-N146 HydrophobicContact CB-CB 4.44Å; L124-N146 WeakPolarHBondContact CB-OD1 3.46Å; L124-N146 WeakPolarHBondContact CG-OD1 3.08Å; L124-N146 PolarHBondContact N-OD1 2.89Å; L124-N146 VanDerWaalsContact N-OD1 3.1Å; L124-F147 CarbonylContact O-C 3.46Å; L124-F147 WeakPolarHBondContact O-CA 3.38Å; L124-F147 PolarHBondContact O-N 2.96Å; L124-I148 HydrophobicContact CB-CG1 4.11Å; L124-I148 WeakPolarHBondContact O-CG1 3.28Å; L124-I148 PolarHBondContact O-N 3.45Å
125	E	92.5	Very high	91.3	Very high	127 Å²	127	34.7 Å²	34.7	59%	0.593	17%	0.17	S	C	*	.			trans	-97.1	-29	178.5	-67.1	-174.9	-174.3	0	0	113.9	S123 F147 I148 T149	S123-E125 PolarHBondContact O-N 3.18Å; E125-F147 HydrophobicContact CG-CB 4.43Å; E125-I148 WeakPolarHBondContact O-CA 3.36Å; E125-T149 PolarHBondContact O-N 3.05Å; E125-T149 PolarHBondContact O-OG1 3.31Å; E125-T149 VanDerWaalsContact O-OG1 3.06Å
126	I	92.6	Very high	91.2	Very high	75 Å²	75	36.5 Å²	36.5	39%	0.385	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	134.3	-173.2	-57	178.6	0	0	0	110.2	K128 V150	I126-K128 HydrophobicContact CG2-CG 4.3Å; I126-V150 WeakPolarHBondContact CA-O 3.5Å; I126-V150 HydrophobicContact CG2-CB 4.37Å
127	L	94.3	Very high	91.4	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	105.6	166.9	-63.8	-178	0	0	0	110.3	F132 I148 V150 I151 E152 A155 F156	L127-F132 HydrophobicContact CD1-CE2 4.22Å; L127-F132 HydrophobicContact CD1-CZ 4.46Å; L127-F132 HydrophobicContact CD2-CE2 4.14Å; L127-F132 HydrophobicContact CD2-CZ 4Å; L127-I148 HydrophobicContact CD1-CD1 3.96Å; L127-I148 HydrophobicContact CD1-CG2 4.47Å; L127-I148 HydrophobicContact CD2-CD1 4.19Å; L127-I148 HydrophobicContact CG-CD1 3.96Å; L127-I148 HydrophobicContact CG-CG1 4.42Å; L127-I148 HydrophobicContact CG-CG2 4.09Å; L127-V150 PolarHBondContact N-O 2.66Å; L127-I151 HydrophobicContact CB-CG1 4.22Å; L127-I151 HydrophobicContact CB-CG2 4.26Å; L127-I151 HydrophobicContact CD1-CD1 4.05Å; L127-I151 HydrophobicContact CD1-CG1 4.16Å; L127-I151 HydrophobicContact CG-CG1 4.47Å; L127-E152 PolarHBondContact O-N 2.81Å; L127-A155 HydrophobicContact CB-CB 4.41Å; L127-F156 HydrophobicContact CD1-CE1 4.02Å; L127-F156 HydrophobicContact CD1-CZ 3.78Å
128	K	92.9	Very high	91.4	Very high	59 Å²	59	37.5 Å²	37.5	26%	0.257	19%	0.186	S	C	.	.			trans	-76.4	163.3	-176.6	-59.7	165.9	-177.2	163.3	0	112.5	D102 I126 T131 E152 A155	D102-K128 WeakPolarHBondContact OD1-CE 3.38Å; D102-K128 IonicContact OD1-NZ 3.82Å; D102-K128 PolarHBondContact OD1-NZ 3.3Å; D102-K128 IonicContact OD2-NZ 3.23Å; D102-K128 PolarHBondContact OD2-NZ 2.8Å; I126-K128 HydrophobicContact CG2-CG 4.3Å; K128-T131 WeakPolarHBondContact CA-OG1 3.44Å; K128-T131 WeakPolarHBondContact CB-OG1 3.4Å; K128-T131 PolarHBondContact N-OG1 3.37Å; K128-T131 WeakPolarHBondContact O-CB 3.29Å; K128-T131 PolarHBondContact O-N 3.08Å; K128-T131 PolarHBondContact O-OG1 2.8Å; K128-E152 VanDerWaalsContact CA-OE2 3.24Å; K128-E152 WeakPolarHBondContact CA-OE2 3.35Å; K128-A155 WeakPolarHBondContact O-CB 3.4Å
129	E	89.5	Confident	91.4	Very high	101 Å²	101	37.6 Å²	37.6	47%	0.472	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	140.7	169.1	61.6	174.2	-169.4	0	0	112.3	T131 E152	E129-T131 PolarHBondContact O-N 3.47Å; E129-E152 PolarHBondContact N-OE2 3.09Å
130	D	86.4	Confident	91.2	Very high	33 Å²	33	37.8 Å²	37.8	18%	0.176	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	18.9	-178.4	-90.5	-62.3	0	0	0	115.4	I105 F132 H133 K158	I105-D130 HydrophobicContact CG2-CB 3.93Å; D130-F132 PolarHBondContact O-N 3.17Å; D130-H133 HydrophobicContact CB-CB 4.28Å; D130-H133 WeakPolarHBondContact O-CB 3.33Å; D130-H133 PolarHBondContact O-N 3.17Å; D130-H133 IonicContact OD1-CE1 2.95Å; D130-H133 IonicContact OD1-CG 3.94Å; D130-H133 IonicContact OD1-ND1 3.85Å; D130-H133 PolarHBondContact OD1-ND1 3.32Å; D130-K158 VanDerWaalsContact CG-CE 3.42Å; D130-K158 WeakPolarHBondContact OD1-CE 3Å; D130-K158 VanDerWaalsContact OD1-CG 3.28Å; D130-K158 WeakPolarHBondContact OD1-CG 3.49Å; D130-K158 IonicContact OD1-NZ 2.71Å; D130-K158 VanDerWaalsContact OD2-CE 3.29Å; D130-K158 WeakPolarHBondContact OD2-CE 3.41Å; D130-K158 IonicContact OD2-NZ 3.4Å
131	T	90.3	Very high	91.6	Very high	4 Å²	4	37.2 Å²	37.2	3%	0.025	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-42.1	172.1	-63.1	0	0	0	0	112	I103 F108 K128 E129 H133	I103-T131 HydrophobicContact CB-CG2 4.02Å; I103-T131 HydrophobicContact CD1-CG2 4.35Å; I103-T131 HydrophobicContact CG2-CG2 3.88Å; F108-T131 WeakPolarHBondContact CD2-O 2.93Å; K128-T131 WeakPolarHBondContact CA-OG1 3.44Å; K128-T131 WeakPolarHBondContact CB-OG1 3.4Å; K128-T131 PolarHBondContact N-OG1 3.37Å; K128-T131 WeakPolarHBondContact O-CB 3.29Å; K128-T131 PolarHBondContact O-N 3.08Å; K128-T131 PolarHBondContact O-OG1 2.8Å; E129-T131 PolarHBondContact O-N 3.47Å; T131-H133 VanDerWaalsContact C-N 3.34Å; T131-H133 PolarHBondContact O-N 3.35Å
132	F	93.4	Very high	91.8	Very high	2 Å²	2	36 Å²	36	1%	0.009	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	25.2	-178.3	-57.1	-76.6	0	0	0	113.4	F108 L117 I119 L127 D130 L135 L141 F156 L159	F108-F132 HydrophobicContact CD2-CD1 4.37Å; F108-F132 AromaticContact CE2-CD1 3.97Å; F108-F132 HydrophobicContact CE2-CD1 3.97Å; F108-F132 HydrophobicContact CE2-CE1 4.29Å; L117-F132 HydrophobicContact CD2-CD1 4.24Å; L117-F132 HydrophobicContact CD2-CE1 4.28Å; I119-F132 HydrophobicContact CD1-CE1 3.94Å; I119-F132 HydrophobicContact CD1-CZ 4.02Å; L127-F132 HydrophobicContact CD1-CE2 4.22Å; L127-F132 HydrophobicContact CD1-CZ 4.46Å; L127-F132 HydrophobicContact CD2-CE2 4.14Å; L127-F132 HydrophobicContact CD2-CZ 4Å; D130-F132 PolarHBondContact O-N 3.17Å; F132-L135 HydrophobicContact CB-CD1 4.18Å; F132-L135 HydrophobicContact CD1-CD1 4.07Å; F132-L135 WeakPolarHBondContact O-CB 3.01Å; F132-L135 PolarHBondContact O-N 3.12Å; F132-L141 HydrophobicContact CD1-CD2 4.28Å; F132-L141 HydrophobicContact CE1-CD1 4.03Å; F132-L141 HydrophobicContact CE1-CD2 3.92Å; F132-L141 HydrophobicContact CE2-CD2 4.2Å; F132-L141 HydrophobicContact CZ-CD2 3.88Å; F132-F156 AromaticContact CD2-CD1 3.89Å; F132-F156 HydrophobicContact CD2-CD1 3.89Å; F132-F156 HydrophobicContact CD2-CE1 4.05Å; F132-F156 AromaticContact CE2-CD1 3.93Å; F132-F156 HydrophobicContact CE2-CD1 3.93Å; F132-F156 AromaticContact CE2-CE1 3.59Å; F132-F156 HydrophobicContact CE2-CE1 3.59Å; F132-F156 HydrophobicContact CZ-CE1 4.39Å; F132-L159 HydrophobicContact CB-CD1 4.03Å; F132-L159 HydrophobicContact CB-CD2 3.91Å; F132-L159 HydrophobicContact CB-CG 4.24Å; F132-L159 HydrophobicContact CD2-CD1 4.39Å; F132-L159 HydrophobicContact CG-CD1 4.23Å
133	H	90.8	Very high	91.9	Very high	76 Å²	76	35.9 Å²	35.9	35%	0.352	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	139.3	177.1	-161.3	92.8	0	0	0	111.9	D130 T131	D130-H133 HydrophobicContact CB-CB 4.28Å; D130-H133 WeakPolarHBondContact O-CB 3.33Å; D130-H133 PolarHBondContact O-N 3.17Å; D130-H133 IonicContact OD1-CE1 2.95Å; D130-H133 IonicContact OD1-CG 3.94Å; D130-H133 IonicContact OD1-ND1 3.85Å; D130-H133 PolarHBondContact OD1-ND1 3.32Å; T131-H133 VanDerWaalsContact C-N 3.34Å; T131-H133 PolarHBondContact O-N 3.35Å
134	G	87.6	Confident	91.5	Very high	15 Å²	15	34.7 Å²	34.7	16%	0.155	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.6	-15.2	-174.8	0	0	0	0	0	115.2	G112 E136	G112-G134 WeakPolarHBondContact CA-O 3.39Å; G134-E136 VanDerWaalsContact C-N 3.32Å; G134-E136 PolarHBondContact O-N 3.04Å
135	L	93.7	Very high	91	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.184	C	C	.	.			trans	-90.2	46.2	-176.1	-61.5	-178.8	0	0	0	113.8	F108 L111 L114 L117 F132 N137 L138 L159	F108-L135 HydrophobicContact CB-CD1 4.03Å; F108-L135 HydrophobicContact CB-CD2 3.92Å; F108-L135 HydrophobicContact CB-CG 3.78Å; F108-L135 HydrophobicContact CD1-CD1 4.46Å; F108-L135 HydrophobicContact CD2-CD1 3.88Å; F108-L135 HydrophobicContact CE2-CD1 4.46Å; F108-L135 HydrophobicContact CG-CD1 3.87Å; F108-L135 HydrophobicContact CG-CD2 4.43Å; F108-L135 HydrophobicContact CG-CG 4.2Å; L111-L135 HydrophobicContact CB-CD2 3.57Å; L111-L135 HydrophobicContact CD1-CD2 4.04Å; L111-L135 HydrophobicContact CG-CD2 4.5Å; L114-L135 HydrophobicContact CB-CD2 4.02Å; L114-L135 HydrophobicContact CD2-CD2 3.65Å; L114-L135 HydrophobicContact CG-CD2 4.47Å; L117-L135 HydrophobicContact CD2-CD1 3.6Å; F132-L135 HydrophobicContact CB-CD1 4.18Å; F132-L135 HydrophobicContact CD1-CD1 4.07Å; F132-L135 WeakPolarHBondContact O-CB 3.01Å; F132-L135 PolarHBondContact O-N 3.12Å; L135-N137 VanDerWaalsContact C-N 3.27Å; L135-N137 PolarHBondContact O-N 3.29Å; L135-L138 HydrophobicContact CB-CB 4.17Å; L135-L138 HydrophobicContact CB-CD2 4.44Å; L135-L138 HydrophobicContact CD1-CD2 4.22Å; L135-L138 WeakPolarHBondContact O-CB 3.39Å; L135-L138 PolarHBondContact O-N 3.42Å; L135-L138 VanDerWaalsContact O-N 3.17Å; L135-L159 HydrophobicContact CB-CD2 3.76Å; L135-L159 WeakPolarHBondContact O-CD2 3.46Å
136	E	89.7	Confident	90.9	Very high	121 Å²	121	31.4 Å²	31.4	57%	0.565	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-25	-170.5	-62.1	-172.9	178.3	0	0	115.1	G134	G134-E136 VanDerWaalsContact C-N 3.32Å; G134-E136 PolarHBondContact O-N 3.04Å
137	N	93.1	Very high	90.9	Very high	43 Å²	43	33.9 Å²	33.9	23%	0.23	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	7.8	179.5	-77	-70.5	0	0	0	114.2	G112 L114 L135 E139 R161	G112-N137 PolarHBondContact O-ND2 3.08Å; L114-N137 CarbonylContact O-C 3.43Å; L135-N137 VanDerWaalsContact C-N 3.27Å; L135-N137 PolarHBondContact O-N 3.29Å; N137-E139 WeakPolarHBondContact O-CG 3.42Å; N137-E139 PolarHBondContact O-N 3.13Å; N137-R161 WeakPolarHBondContact OD1-CD 3.47Å; N137-R161 PolarHBondContact OD1-NE 3Å; N137-R161 PolarHBondContact OD1-NH1 3.36Å
138	L	95.4	Very high	91	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.164	C	C	.	.			trans	-63.2	125.7	-178	-162.6	73.6	0	0	0	110.9	L114 L117 L135 L141 L159 R161 L162	L114-L138 HydrophobicContact CD2-CD1 3.97Å; L114-L138 HydrophobicContact CG-CD1 4.18Å; L114-L138 VanDerWaalsContact O-CA 3.31Å; L114-L138 WeakPolarHBondContact O-CA 3.33Å; L114-L138 PolarHBondContact O-N 3.09Å; L114-L138 VanDerWaalsContact O-N 3.15Å; L117-L138 HydrophobicContact CB-CD1 3.77Å; L117-L138 HydrophobicContact CB-CD2 4.34Å; L135-L138 HydrophobicContact CB-CB 4.17Å; L135-L138 HydrophobicContact CB-CD2 4.44Å; L135-L138 HydrophobicContact CD1-CD2 4.22Å; L135-L138 WeakPolarHBondContact O-CB 3.39Å; L135-L138 PolarHBondContact O-N 3.42Å; L135-L138 VanDerWaalsContact O-N 3.17Å; L138-L141 HydrophobicContact CD2-CB 3.99Å; L138-L141 HydrophobicContact CD2-CD1 4.43Å; L138-L159 HydrophobicContact CB-CD2 4.21Å; L138-L159 HydrophobicContact CD2-CD1 4.32Å; L138-L159 HydrophobicContact CD2-CD2 4.09Å; L138-R161 CarbonylContact O-C 3.43Å; L138-L162 HydrophobicContact CD2-CD1 4.1Å; L138-L162 HydrophobicContact CG-CD1 4.16Å; L138-L162 VanDerWaalsContact O-CA 3.23Å; L138-L162 WeakPolarHBondContact O-CA 3.39Å; L138-L162 PolarHBondContact O-N 3.04Å
139	E	90.4	Very high	91	Very high	17 Å²	17	33.7 Å²	33.7	8%	0.079	17%	0.168	C	C	.	.			trans	-107.4	-23.4	-179.9	-60.5	-169.2	-130.2	0	0	112.1	K115 N137 R161 K163 V164 L837	K115-E139 IonicContact NZ-OE1 3.51Å; K115-E139 PolarHBondContact NZ-OE1 3.47Å; K115-E139 PolarHBondContact O-N 2.81Å; N137-E139 WeakPolarHBondContact O-CG 3.42Å; N137-E139 PolarHBondContact O-N 3.13Å; E139-R161 HydrophobicContact CG-CB 4.31Å; E139-K163 HydrophobicContact CB-CD 4.48Å; E139-K163 WeakPolarHBondContact O-CB 3.24Å; E139-K163 PolarHBondContact O-N 3.21Å; E139-K163 VanDerWaalsContact OE2-CE 3.28Å; E139-K163 WeakPolarHBondContact OE2-CE 3.44Å; E139-K163 IonicContact OE2-NZ 2.65Å; E139-K163 PolarHBondContact OE2-NZ 3.15Å; E139-V164 PolarHBondContact O-N 3.19Å; E139-L837 HydrophobicContact CB-CD1 4.05Å; E139-L837 HydrophobicContact CB-CD2 4.01Å; E139-L837 HydrophobicContact CB-CG 4.28Å
140	F	90.3	Very high	91.1	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.018	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	129.8	-177.9	175.1	-66.7	0	0	0	110.4	K115 Q116 L117 H118 Q142 V164 I166 L834	K115-F140 PolarHBondContact O-N 3.46Å; Q116-F140 HydrophobicContact CG-CB 3.96Å; Q116-F140 HydrophobicContact CG-CD1 4.39Å; Q116-F140 HydrophobicContact CG-CG 4.26Å; L117-F140 PolarHBondContact N-O 2.81Å; L117-F140 VanDerWaalsContact N-O 3.12Å; H118-F140 AromaticContact CE1-CE1 3.18Å; H118-F140 WeakPolarHBondContact CE1-CE1 3.19Å; H118-F140 AromaticContact CE1-CZ 3.53Å; H118-F140 AromaticContact ND1-CE1 3.54Å; H118-F140 AromaticContact NE2-CE1 3.68Å; F140-Q142 HydrophobicContact CD1-CB 4.47Å; F140-Q142 HydrophobicContact CE1-CB 3.57Å; F140-Q142 HydrophobicContact CZ-CB 4.14Å; F140-V164 HydrophobicContact CB-CB 4.27Å; F140-V164 HydrophobicContact CD2-CB 3.99Å; F140-V164 HydrophobicContact CD2-CG1 3.67Å; F140-V164 HydrophobicContact CD2-CG2 4.34Å; F140-V164 HydrophobicContact CE2-CG1 4.04Å; F140-V164 HydrophobicContact CG-CB 4.29Å; F140-V164 HydrophobicContact CG-CG1 4.14Å; F140-I166 HydrophobicContact CE1-CD1 4.4Å; F140-I166 HydrophobicContact CE2-CD1 4.19Å; F140-I166 HydrophobicContact CZ-CD1 3.79Å; F140-L834 HydrophobicContact CD2-CD1 4.47Å; F140-L834 HydrophobicContact CE2-CD1 3.8Å; F140-L834 HydrophobicContact CZ-CD1 4.26Å
141	L	95.4	Very high	91.6	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	123.9	172.8	178	56.1	0	0	0	110.1	L117 I119 F132 L138 F156 L159 L162 V164 L165 I166	L117-L141 HydrophobicContact CB-CD1 4.05Å; L117-L141 HydrophobicContact CD2-CD1 3.96Å; L117-L141 HydrophobicContact CG-CD1 3.98Å; L117-L141 WeakPolarHBondContact O-CA 3.43Å; I119-L141 HydrophobicContact CD1-CD1 4.27Å; I119-L141 HydrophobicContact CG1-CD1 4.28Å; F132-L141 HydrophobicContact CD1-CD2 4.28Å; F132-L141 HydrophobicContact CE1-CD1 4.03Å; F132-L141 HydrophobicContact CE1-CD2 3.92Å; F132-L141 HydrophobicContact CE2-CD2 4.2Å; F132-L141 HydrophobicContact CZ-CD2 3.88Å; L138-L141 HydrophobicContact CD2-CB 3.99Å; L138-L141 HydrophobicContact CD2-CD1 4.43Å; L141-F156 HydrophobicContact CD2-CD1 4.32Å; L141-F156 HydrophobicContact CD2-CE1 3.98Å; L141-L159 HydrophobicContact CD2-CD1 4.15Å; L141-L162 HydrophobicContact CB-CD1 3.74Å; L141-L162 HydrophobicContact CB-CD2 4.41Å; L141-V164 PolarHBondContact N-O 2.04Å; L141-L165 HydrophobicContact CB-CD1 4.11Å; L141-L165 HydrophobicContact CD2-CD1 3.91Å; L141-L165 HydrophobicContact CG-CD1 4Å; L141-L165 WeakPolarHBondContact O-CA 3.31Å; L141-I166 PolarHBondContact O-N 3.32Å
142	Q	89.3	Confident	91.7	Very high	41 Å²	41	34.1 Å²	34.1	19%	0.192	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	122.7	177.5	-178.4	179	-6.1	0	0	111.3	L117 H118 I119 N120 F140 D144 I166	L117-Q142 PolarHBondContact O-N 2.89Å; H118-Q142 HydrophobicContact CB-CB 4.5Å; H118-Q142 PolarHBondContact ND1-OE1 2.84Å; I119-Q142 WeakPolarHBondContact CG1-O 3.37Å; I119-Q142 PolarHBondContact N-O 3.2Å; N120-Q142 HydrophobicContact CB-CG 4.16Å; N120-Q142 PolarHBondContact N-O 2.98Å; F140-Q142 HydrophobicContact CD1-CB 4.47Å; F140-Q142 HydrophobicContact CE1-CB 3.57Å; F140-Q142 HydrophobicContact CZ-CB 4.14Å; Q142-D144 VanDerWaalsContact CD-OD1 3.31Å; Q142-D144 WeakPolarHBondContact CG-OD1 3.36Å; Q142-D144 PolarHBondContact NE2-OD1 2.82Å; Q142-I166 HydrophobicContact CB-CB 4.38Å; Q142-I166 HydrophobicContact CB-CD1 3.93Å; Q142-I166 HydrophobicContact CB-CG1 4.49Å; Q142-I166 HydrophobicContact CG-CB 4.17Å; Q142-I166 HydrophobicContact CG-CD1 3.85Å; Q142-I166 HydrophobicContact CG-CG2 4.44Å
143	A	93.4	Very high	91.4	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.008	20%	0.197	C	C	.	.			trans	-143.6	32.6	-176.3	0	0	0	0	0	112.7	I119 I148 I166 L167 N170	I119-A143 HydrophobicContact CD1-CB 3.93Å; I119-A143 HydrophobicContact CG1-CB 3.77Å; A143-I148 HydrophobicContact CB-CD1 4.5Å; A143-I166 CarbonylContact C-O 3.1Å; A143-I166 PolarHBondContact N-O 3.37Å; A143-L167 HydrophobicContact CB-CD2 3.95Å; A143-N170 PolarHBondContact O-ND2 3.42Å
144	D	86.2	Confident	91.3	Very high	2 Å²	2	36 Å²	36	1%	0.011	19%	0.194	C	C	.	.			trans	-61.5	166.1	171.3	60.5	-86.9	0	0	0	113	N120 H121 Q142 N146 I166 N168	N120-D144 CarbonylContact C-O 3.53Å; N120-D144 WeakPolarHBondContact CA-O 3.21Å; N120-D144 WeakPolarHBondContact CB-OD1 3.36Å; N120-D144 VanDerWaalsContact CB-OD2 3.32Å; N120-D144 WeakPolarHBondContact CB-OD2 3.29Å; H121-D144 IonicContact CE1-OD2 2.94Å; H121-D144 PolarHBondContact CE1-OD2 3.2Å; H121-D144 PolarHBondContact N-O 3.06Å; H121-D144 IonicContact ND1-OD2 2.67Å; H121-D144 PolarHBondContact ND1-OD2 3.16Å; Q142-D144 VanDerWaalsContact CD-OD1 3.31Å; Q142-D144 WeakPolarHBondContact CG-OD1 3.36Å; Q142-D144 PolarHBondContact NE2-OD1 2.82Å; D144-N146 PolarHBondContact O-N 3.05Å; D144-N146 VanDerWaalsContact O-N 3.13Å; D144-N146 PolarHBondContact O-ND2 3.3Å; D144-I166 HydrophobicContact CB-CG2 4.45Å; D144-N168 WeakPolarHBondContact CA-O 3Å
145	N	83.6	Confident	91.5	Very high	59 Å²	59	35.4 Å²	35.4	32%	0.316	19%	0.188	S	C	.	.	S	Bend	trans	48.5	45.5	171.4	-65.3	13.9	0	0	0	113	H121 N168 D169	H121-N145 VanDerWaalsContact CA-O 3.28Å; H121-N145 WeakPolarHBondContact CA-O 2.75Å; H121-N145 PolarHBondContact CE1-ND2 3.21Å; H121-N145 PolarHBondContact NE2-ND2 3.08Å; N145-N168 PolarHBondContact N-O 2.74Å; N145-D169 VanDerWaalsContact OD1-CB 3.23Å; N145-D169 WeakPolarHBondContact OD1-CB 3.32Å
146	N	90.9	Very high	91.5	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.021	19%	0.188	C	C	.	.	S	Bend	trans	-116.6	-179.9	171.5	-86.7	-99.5	0	0	0	109.1	I119 N122 L124 D144 I148 N170	I119-N146 PolarHBondContact O-ND2 2.66Å; N122-N146 WeakPolarHBondContact CA-OD1 3.28Å; N122-N146 WeakPolarHBondContact CB-OD1 3.32Å; N122-N146 PolarHBondContact N-ND2 2.73Å; N122-N146 PolarHBondContact O-OD1 2.7Å; L124-N146 HydrophobicContact CB-CB 4.44Å; L124-N146 WeakPolarHBondContact CB-OD1 3.46Å; L124-N146 WeakPolarHBondContact CG-OD1 3.08Å; L124-N146 PolarHBondContact N-OD1 2.89Å; L124-N146 VanDerWaalsContact N-OD1 3.1Å; D144-N146 PolarHBondContact O-N 3.05Å; D144-N146 VanDerWaalsContact O-N 3.13Å; D144-N146 PolarHBondContact O-ND2 3.3Å; N146-I148 HydrophobicContact CB-CD1 4.14Å; N146-I148 HydrophobicContact CB-CG1 4.01Å; N146-N170 WeakPolarHBondContact CA-OD1 3.25Å; N146-N170 WeakPolarHBondContact CB-OD1 3.5Å; N146-N170 PolarHBondContact O-OD1 2.84Å
147	F	93.1	Very high	91.4	Very high	127 Å²	127	30.8 Å²	30.8	56%	0.557	17%	0.169	S	C	*	.			trans	-102.8	26.8	179.8	-56.3	-60.9	0	0	0	112.7	L124 E125 T149	L124-F147 CarbonylContact O-C 3.46Å; L124-F147 WeakPolarHBondContact O-CA 3.38Å; L124-F147 PolarHBondContact O-N 2.96Å; E125-F147 HydrophobicContact CG-CB 4.43Å; F147-T149 PolarHBondContact O-N 3.13Å; F147-T149 VanDerWaalsContact O-N 3.07Å
148	I	95.7	Very high	91.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.173	C	C	.	.			trans	-65.9	114.7	-169.4	-58.4	164.6	0	0	0	109.5	L124 E125 L127 A143 N146 I151 L167 N170 A171 I172	L124-I148 HydrophobicContact CB-CG1 4.11Å; L124-I148 WeakPolarHBondContact O-CG1 3.28Å; L124-I148 PolarHBondContact O-N 3.45Å; E125-I148 WeakPolarHBondContact O-CA 3.36Å; L127-I148 HydrophobicContact CD1-CD1 3.96Å; L127-I148 HydrophobicContact CD1-CG2 4.47Å; L127-I148 HydrophobicContact CD2-CD1 4.19Å; L127-I148 HydrophobicContact CG-CD1 3.96Å; L127-I148 HydrophobicContact CG-CG1 4.42Å; L127-I148 HydrophobicContact CG-CG2 4.09Å; A143-I148 HydrophobicContact CB-CD1 4.5Å; N146-I148 HydrophobicContact CB-CD1 4.14Å; N146-I148 HydrophobicContact CB-CG1 4.01Å; I148-I151 HydrophobicContact CG2-CD1 4.47Å; I148-I151 HydrophobicContact CG2-CG1 3.94Å; I148-L167 HydrophobicContact CD1-CD2 4.31Å; I148-N170 HydrophobicContact CB-CB 4.47Å; I148-N170 VanDerWaalsContact CB-OD1 3.24Å; I148-N170 WeakPolarHBondContact CB-OD1 3.3Å; I148-N170 WeakPolarHBondContact CD1-OD1 3.41Å; I148-N170 VanDerWaalsContact CG1-OD1 3.26Å; I148-N170 WeakPolarHBondContact CG1-OD1 3.22Å; I148-N170 PolarHBondContact N-OD1 2.79Å; I148-N170 VanDerWaalsContact N-OD1 3.08Å; I148-A171 CarbonylContact O-C 3.43Å; I148-A171 VanDerWaalsContact O-CA 3.26Å; I148-A171 WeakPolarHBondContact O-CA 3.17Å; I148-A171 WeakPolarHBondContact O-CB 3.2Å; I148-A171 PolarHBondContact O-N 2.89Å; I148-I172 HydrophobicContact CB-CG1 4.37Å; I148-I172 HydrophobicContact CG2-CG1 4.11Å; I148-I172 VanDerWaalsContact O-CG1 3.29Å; I148-I172 WeakPolarHBondContact O-CG1 2.97Å; I148-I172 PolarHBondContact O-N 3Å
149	T	92.3	Very high	91.1	Very high	56 Å²	56	32.4 Å²	32.4	34%	0.344	17%	0.174	S	C	.	.			trans	-98.1	-36.8	178.1	53	0	0	0	0	112.1	E125 F147 A171 E173	E125-T149 PolarHBondContact O-N 3.05Å; E125-T149 PolarHBondContact O-OG1 3.31Å; E125-T149 VanDerWaalsContact O-OG1 3.06Å; F147-T149 PolarHBondContact O-N 3.13Å; F147-T149 VanDerWaalsContact O-N 3.07Å; T149-A171 HydrophobicContact CG2-CB 3.71Å; T149-E173 PolarHBondContact O-N 2.76Å
150	V	93.2	Very high	91.1	Very high	72 Å²	72	35.6 Å²	35.6	44%	0.436	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	136.6	-172.6	179.8	0	0	0	0	110.4	I126 L127	I126-V150 WeakPolarHBondContact CA-O 3.5Å; I126-V150 HydrophobicContact CG2-CB 4.37Å; L127-V150 PolarHBondContact N-O 2.66Å
151	I	95.1	Very high	91.2	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.031	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.2	169.6	-57.4	-174.7	0	0	0	107.4	L127 I148 A155 F156 L167 I172 L175 P176 I179	L127-I151 HydrophobicContact CB-CG1 4.22Å; L127-I151 HydrophobicContact CB-CG2 4.26Å; L127-I151 HydrophobicContact CD1-CD1 4.05Å; L127-I151 HydrophobicContact CD1-CG1 4.16Å; L127-I151 HydrophobicContact CG-CG1 4.47Å; I148-I151 HydrophobicContact CG2-CD1 4.47Å; I148-I151 HydrophobicContact CG2-CG1 3.94Å; I151-A155 HydrophobicContact CG2-CB 3.87Å; I151-F156 HydrophobicContact CD1-CE2 4.22Å; I151-F156 HydrophobicContact CD1-CZ 4.2Å; I151-F156 HydrophobicContact CG2-CE2 4.11Å; I151-F156 HydrophobicContact CG2-CZ 4.42Å; I151-L167 HydrophobicContact CD1-CD1 4.18Å; I151-I172 HydrophobicContact CD1-CD1 3.81Å; I151-I172 HydrophobicContact CD1-CG1 4.46Å; I151-L175 HydrophobicContact CD1-CD2 3.89Å; I151-P176 WeakPolarHBondContact O-CD 3.33Å; I151-P176 WeakPolarHBondContact O-CG 3.31Å; I151-I179 HydrophobicContact CG2-CD1 4.13Å; I151-I179 HydrophobicContact CG2-CG1 4.46Å
152	E	93.3	Very high	91.1	Very high	70 Å²	70	41.9 Å²	41.9	33%	0.327	22%	0.215	S	C	.	.			trans	-82.6	151.4	-179.1	-67.1	-172.2	157	0	0	112.3	L127 K128 E129 S154 A155 I179	L127-E152 PolarHBondContact O-N 2.81Å; K128-E152 VanDerWaalsContact CA-OE2 3.24Å; K128-E152 WeakPolarHBondContact CA-OE2 3.35Å; E129-E152 PolarHBondContact N-OE2 3.09Å; E152-S154 PolarHBondContact O-N 2.81Å; E152-A155 WeakPolarHBondContact O-CB 3.42Å; E152-A155 PolarHBondContact O-N 2.94Å; E152-I179 VanDerWaalsContact O-CD1 3.3Å; E152-I179 WeakPolarHBondContact O-CD1 3.15Å
153	P	86.8	Confident	91.1	Very high	77 Å²	77	41.4 Å²	41.4	50%	0.5	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-19	-165.7	-26.5	35.3	0	0	0	117	P176 I179	P153-P176 HydrophobicContact CB-CB 4.07Å; P153-P176 HydrophobicContact CB-CG 4.43Å; P153-P176 HydrophobicContact CG-CB 3.89Å; P153-P176 HydrophobicContact CG-CG 4.44Å; P153-I179 WeakPolarHBondContact O-CD1 2.99Å
154	S	89.6	Confident	90.7	Very high	40 Å²	40	41.3 Å²	41.3	28%	0.28	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	1.3	-176.8	-53.4	0	0	0	0	113.9	E152 F156 S157	E152-S154 PolarHBondContact O-N 2.81Å; S154-F156 PolarHBondContact O-N 3.01Å; S154-S157 WeakPolarHBondContact O-CB 2.96Å; S154-S157 PolarHBondContact O-N 2.61Å; S154-S157 PolarHBondContact O-OG 2.88Å
155	A	92	Very high	91.1	Very high	3 Å²	3	41.2 Å²	41.2	3%	0.025	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-44.4	-168.4	0	0	0	0	0	114	L127 K128 I151 E152 I179	L127-A155 HydrophobicContact CB-CB 4.41Å; K128-A155 WeakPolarHBondContact O-CB 3.4Å; I151-A155 HydrophobicContact CG2-CB 3.87Å; E152-A155 WeakPolarHBondContact O-CB 3.42Å; E152-A155 PolarHBondContact O-N 2.94Å; A155-I179 HydrophobicContact CB-CD1 4.3Å
156	F	92.9	Very high	91.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	5.2	177.8	-52.1	-51	0	0	0	113.9	L127 F132 L141 I151 S154 K158 L159 L165 L167 I179 F180 V183	L127-F156 HydrophobicContact CD1-CE1 4.02Å; L127-F156 HydrophobicContact CD1-CZ 3.78Å; F132-F156 AromaticContact CD2-CD1 3.89Å; F132-F156 HydrophobicContact CD2-CD1 3.89Å; F132-F156 HydrophobicContact CD2-CE1 4.05Å; F132-F156 AromaticContact CE2-CD1 3.93Å; F132-F156 HydrophobicContact CE2-CD1 3.93Å; F132-F156 AromaticContact CE2-CE1 3.59Å; F132-F156 HydrophobicContact CE2-CE1 3.59Å; F132-F156 HydrophobicContact CZ-CE1 4.39Å; L141-F156 HydrophobicContact CD2-CD1 4.32Å; L141-F156 HydrophobicContact CD2-CE1 3.98Å; I151-F156 HydrophobicContact CD1-CE2 4.22Å; I151-F156 HydrophobicContact CD1-CZ 4.2Å; I151-F156 HydrophobicContact CG2-CE2 4.11Å; I151-F156 HydrophobicContact CG2-CZ 4.42Å; S154-F156 PolarHBondContact O-N 3.01Å; F156-K158 PolarHBondContact O-N 3.21Å; F156-L159 HydrophobicContact CB-CD1 4.15Å; F156-L159 HydrophobicContact CD1-CD1 3.85Å; F156-L159 HydrophobicContact CG-CD1 4.44Å; F156-L159 WeakPolarHBondContact O-CB 3.36Å; F156-L159 PolarHBondContact O-N 2.87Å; F156-L165 HydrophobicContact CD2-CD2 4.08Å; F156-L165 HydrophobicContact CE1-CD1 4.37Å; F156-L165 HydrophobicContact CE2-CD2 3.75Å; F156-L165 HydrophobicContact CZ-CD1 4.26Å; F156-L165 HydrophobicContact CZ-CD2 3.99Å; F156-L167 HydrophobicContact CE2-CD1 4.41Å; F156-L167 HydrophobicContact CZ-CD1 4.21Å; F156-I179 HydrophobicContact CD2-CD1 4.03Å; F156-I179 HydrophobicContact CD2-CG1 3.76Å; F156-I179 HydrophobicContact CE2-CG1 4.33Å; F156-F180 HydrophobicContact CD2-CD1 4.3Å; F156-F180 AromaticContact CD2-CE1 3.64Å; F156-F180 HydrophobicContact CD2-CE1 3.64Å; F156-F180 HydrophobicContact CE2-CE1 4.06Å; F156-V183 HydrophobicContact CB-CG2 4.11Å; F156-V183 WeakPolarHBondContact O-CG2 3.35Å
157	S	88.3	Confident	91.4	Very high	24 Å²	24	38.5 Å²	38.5	17%	0.168	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-14.1	-166.2	67.8	0	0	0	0	116.2	S154	S154-S157 WeakPolarHBondContact O-CB 2.96Å; S154-S157 PolarHBondContact O-N 2.61Å; S154-S157 PolarHBondContact O-OG 2.88Å
158	K	87.9	Confident	91.1	Very high	75 Å²	75	32.5 Å²	32.5	33%	0.326	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-7.4	177.1	-45.4	-53.6	178.6	-168	0	113.6	D130 F156 N160	D130-K158 VanDerWaalsContact CG-CE 3.42Å; D130-K158 WeakPolarHBondContact OD1-CE 3Å; D130-K158 VanDerWaalsContact OD1-CG 3.28Å; D130-K158 WeakPolarHBondContact OD1-CG 3.49Å; D130-K158 IonicContact OD1-NZ 2.71Å; D130-K158 VanDerWaalsContact OD2-CE 3.29Å; D130-K158 WeakPolarHBondContact OD2-CE 3.41Å; D130-K158 IonicContact OD2-NZ 3.4Å; F156-K158 PolarHBondContact O-N 3.21Å; K158-N160 PolarHBondContact O-N 3.39Å; K158-N160 PolarHBondContact O-ND2 2.94Å; K158-N160 VanDerWaalsContact O-ND2 3.08Å
159	L	92.8	Very high	90.6	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	19%	0.19	C	C	.	.			trans	-83.6	58	-171.8	-57.4	-176.9	0	0	0	111.4	F132 L135 L138 L141 F156 R161 L162	F132-L159 HydrophobicContact CB-CD1 4.03Å; F132-L159 HydrophobicContact CB-CD2 3.91Å; F132-L159 HydrophobicContact CB-CG 4.24Å; F132-L159 HydrophobicContact CD2-CD1 4.39Å; F132-L159 HydrophobicContact CG-CD1 4.23Å; L135-L159 HydrophobicContact CB-CD2 3.76Å; L135-L159 WeakPolarHBondContact O-CD2 3.46Å; L138-L159 HydrophobicContact CB-CD2 4.21Å; L138-L159 HydrophobicContact CD2-CD1 4.32Å; L138-L159 HydrophobicContact CD2-CD2 4.09Å; L141-L159 HydrophobicContact CD2-CD1 4.15Å; F156-L159 HydrophobicContact CB-CD1 4.15Å; F156-L159 HydrophobicContact CD1-CD1 3.85Å; F156-L159 HydrophobicContact CG-CD1 4.44Å; F156-L159 WeakPolarHBondContact O-CB 3.36Å; F156-L159 PolarHBondContact O-N 2.87Å; L159-R161 PolarHBondContact O-N 3.18Å; L159-L162 HydrophobicContact CB-CB 3.98Å; L159-L162 HydrophobicContact CB-CD2 4.3Å; L159-L162 HydrophobicContact CD1-CD2 3.96Å; L159-L162 WeakPolarHBondContact O-CB 2.96Å; L159-L162 PolarHBondContact O-N 3.45Å; L159-L162 VanDerWaalsContact O-N 3.07Å
160	N	91	Very high	90.6	Very high	85 Å²	85	33.9 Å²	33.9	46%	0.455	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-6.6	-169.3	-62.1	-58.7	0	0	0	114.9	K158 P184	K158-N160 PolarHBondContact O-N 3.39Å; K158-N160 PolarHBondContact O-ND2 2.94Å; K158-N160 VanDerWaalsContact O-ND2 3.08Å; N160-P184 WeakPolarHBondContact O-CD 3.48Å; N160-P184 WeakPolarHBondContact O-CG 3.2Å
161	R	92.6	Very high	90.6	Very high	136 Å²	136	31.8 Å²	31.8	51%	0.513	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	1	177.9	-63	-158.4	-179.7	-167.8	2.5	114.5	N137 L138 E139 L159 K163	N137-R161 WeakPolarHBondContact OD1-CD 3.47Å; N137-R161 PolarHBondContact OD1-NE 3Å; N137-R161 PolarHBondContact OD1-NH1 3.36Å; L138-R161 CarbonylContact O-C 3.43Å; E139-R161 HydrophobicContact CG-CB 4.31Å; L159-R161 PolarHBondContact O-N 3.18Å; R161-K163 PolarHBondContact O-N 2.99Å; R161-K163 VanDerWaalsContact O-N 3.14Å
162	L	93.3	Very high	90.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.164	C	C	.	.			trans	-66.8	115.9	-172.6	-167.8	71.1	0	0	0	110.5	L138 L141 L159 V164 L165 V183 P184 L185	L138-L162 HydrophobicContact CD2-CD1 4.1Å; L138-L162 HydrophobicContact CG-CD1 4.16Å; L138-L162 VanDerWaalsContact O-CA 3.23Å; L138-L162 WeakPolarHBondContact O-CA 3.39Å; L138-L162 PolarHBondContact O-N 3.04Å; L141-L162 HydrophobicContact CB-CD1 3.74Å; L141-L162 HydrophobicContact CB-CD2 4.41Å; L159-L162 HydrophobicContact CB-CB 3.98Å; L159-L162 HydrophobicContact CB-CD2 4.3Å; L159-L162 HydrophobicContact CD1-CD2 3.96Å; L159-L162 WeakPolarHBondContact O-CB 2.96Å; L159-L162 PolarHBondContact O-N 3.45Å; L159-L162 VanDerWaalsContact O-N 3.07Å; L162-V164 VanDerWaalsContact CD1-O 3.28Å; L162-V164 WeakPolarHBondContact CD1-O 3.35Å; L162-L165 HydrophobicContact CD2-CB 4.15Å; L162-L165 HydrophobicContact CD2-CD1 4.48Å; L162-L165 HydrophobicContact CD2-CD2 4.46Å; L162-V183 HydrophobicContact CB-CG1 3.75Å; L162-V183 HydrophobicContact CD2-CG1 3.92Å; L162-V183 HydrophobicContact CG-CG1 4.34Å; L162-P184 CarbonylContact O-C 3.47Å; L162-L185 HydrophobicContact CB-CD2 4.42Å; L162-L185 HydrophobicContact CD2-CD2 3.96Å; L162-L185 HydrophobicContact CG-CD2 3.94Å; L162-L185 PolarHBondContact O-N 3.31Å
163	K	88.1	Confident	90.5	Very high	31 Å²	31	33.9 Å²	33.9	14%	0.135	18%	0.176	C	C	.	.			trans	-94.2	-39	175.5	-66.3	167	176.4	169.5	0	110.5	E139 R161 T186 H187 L837	E139-K163 HydrophobicContact CB-CD 4.48Å; E139-K163 WeakPolarHBondContact O-CB 3.24Å; E139-K163 PolarHBondContact O-N 3.21Å; E139-K163 VanDerWaalsContact OE2-CE 3.28Å; E139-K163 WeakPolarHBondContact OE2-CE 3.44Å; E139-K163 IonicContact OE2-NZ 2.65Å; E139-K163 PolarHBondContact OE2-NZ 3.15Å; R161-K163 PolarHBondContact O-N 2.99Å; R161-K163 VanDerWaalsContact O-N 3.14Å; K163-T186 PolarHBondContact O-N 2.91Å; K163-T186 PolarHBondContact O-OG1 2.9Å; K163-H187 PolarHBondContact O-N 3.13Å; K163-L837 HydrophobicContact CD-CD1 4.12Å; K163-L837 HydrophobicContact CD-CG 4.46Å
164	V	86.6	Confident	90.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127.2	-171.3	171.3	0	0	0	0	109.9	E139 F140 L141 L162 I166 H187 Y833 V836	E139-V164 PolarHBondContact O-N 3.19Å; F140-V164 HydrophobicContact CB-CB 4.27Å; F140-V164 HydrophobicContact CD2-CB 3.99Å; F140-V164 HydrophobicContact CD2-CG1 3.67Å; F140-V164 HydrophobicContact CD2-CG2 4.34Å; F140-V164 HydrophobicContact CE2-CG1 4.04Å; F140-V164 HydrophobicContact CG-CB 4.29Å; F140-V164 HydrophobicContact CG-CG1 4.14Å; L141-V164 PolarHBondContact N-O 2.04Å; L162-V164 VanDerWaalsContact CD1-O 3.28Å; L162-V164 WeakPolarHBondContact CD1-O 3.35Å; V164-I166 HydrophobicContact CG1-CD1 4.15Å; V164-I166 HydrophobicContact CG1-CG1 3.85Å; V164-H187 WeakPolarHBondContact CA-O 3.39Å; V164-H187 HydrophobicContact CG2-CB 4.29Å; V164-Y833 VanDerWaalsContact CG1-CB 3.44Å; V164-Y833 HydrophobicContact CG1-CD1 3.64Å; V164-Y833 HydrophobicContact CG1-CD2 4.4Å; V164-Y833 HydrophobicContact CG1-CE1 4.39Å; V164-Y833 HydrophobicContact CG1-CG 3.63Å; V164-Y833 HydrophobicContact CG2-CD1 4.38Å; V164-V836 HydrophobicContact CG2-CB 4.29Å; V164-V836 HydrophobicContact CG2-CG1 4.32Å
165	L	94.4	Very high	90.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	116.7	171.8	177.9	56	0	0	0	110.6	L141 F156 L162 L167 F180 L185 H187 L188 D189	L141-L165 HydrophobicContact CB-CD1 4.11Å; L141-L165 HydrophobicContact CD2-CD1 3.91Å; L141-L165 HydrophobicContact CG-CD1 4Å; L141-L165 WeakPolarHBondContact O-CA 3.31Å; F156-L165 HydrophobicContact CD2-CD2 4.08Å; F156-L165 HydrophobicContact CE1-CD1 4.37Å; F156-L165 HydrophobicContact CE2-CD2 3.75Å; F156-L165 HydrophobicContact CZ-CD1 4.26Å; F156-L165 HydrophobicContact CZ-CD2 3.99Å; L162-L165 HydrophobicContact CD2-CB 4.15Å; L162-L165 HydrophobicContact CD2-CD1 4.48Å; L162-L165 HydrophobicContact CD2-CD2 4.46Å; L165-L167 HydrophobicContact CD1-CD1 4.02Å; L165-L167 HydrophobicContact CD1-CD2 4.5Å; L165-L167 HydrophobicContact CD1-CG 3.95Å; L165-L167 HydrophobicContact CD2-CD1 3.86Å; L165-L167 HydrophobicContact CG-CD1 3.81Å; L165-L167 HydrophobicContact CG-CG 4.07Å; L165-F180 HydrophobicContact CD2-CE1 3.56Å; L165-F180 HydrophobicContact CD2-CZ 3.86Å; L165-L185 HydrophobicContact CB-CD1 4.36Å; L165-L185 HydrophobicContact CB-CD2 3.72Å; L165-L185 HydrophobicContact CD2-CD1 4.27Å; L165-H187 PolarHBondContact N-O 3.13Å; L165-L188 HydrophobicContact CB-CD1 4.01Å; L165-L188 HydrophobicContact CD2-CD1 3.95Å; L165-L188 HydrophobicContact CG-CD1 3.88Å; L165-L188 WeakPolarHBondContact O-CA 3.43Å; L165-D189 PolarHBondContact O-N 2.91Å; L165-D189 VanDerWaalsContact O-N 3.11Å
166	I	86.7	Confident	90.7	Very high	6 Å²	6	33 Å²	33	3%	0.031	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	115.9	-177.1	-45	173.1	0	0	0	108.2	F140 L141 Q142 A143 D144 V164 N168 Y833	F140-I166 HydrophobicContact CE1-CD1 4.4Å; F140-I166 HydrophobicContact CE2-CD1 4.19Å; F140-I166 HydrophobicContact CZ-CD1 3.79Å; L141-I166 PolarHBondContact O-N 3.32Å; Q142-I166 HydrophobicContact CB-CB 4.38Å; Q142-I166 HydrophobicContact CB-CD1 3.93Å; Q142-I166 HydrophobicContact CB-CG1 4.49Å; Q142-I166 HydrophobicContact CG-CB 4.17Å; Q142-I166 HydrophobicContact CG-CD1 3.85Å; Q142-I166 HydrophobicContact CG-CG2 4.44Å; A143-I166 CarbonylContact C-O 3.1Å; A143-I166 PolarHBondContact N-O 3.37Å; D144-I166 HydrophobicContact CB-CG2 4.45Å; V164-I166 HydrophobicContact CG1-CD1 4.15Å; V164-I166 HydrophobicContact CG1-CG1 3.85Å; I166-N168 WeakPolarHBondContact CG2-OD1 3.23Å; I166-Y833 HydrophobicContact CB-CE2 4.49Å; I166-Y833 HydrophobicContact CD1-CD2 3.26Å; I166-Y833 HydrophobicContact CD1-CE2 3.26Å; I166-Y833 HydrophobicContact CD1-CG 4.01Å; I166-Y833 HydrophobicContact CG1-CD1 4.49Å; I166-Y833 HydrophobicContact CG1-CD2 3.86Å; I166-Y833 HydrophobicContact CG1-CE1 4.19Å; I166-Y833 HydrophobicContact CG1-CE2 3.52Å; I166-Y833 HydrophobicContact CG1-CG 4.32Å; I166-Y833 HydrophobicContact CG2-CE2 4.22Å
167	L	94.5	Very high	90.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.191	C	C	.	.			trans	-134.6	23	-176.6	-72.8	167.6	0	0	0	111.7	A143 I148 I151 F156 L165 I172 D189 L190 N193	A143-L167 HydrophobicContact CB-CD2 3.95Å; I148-L167 HydrophobicContact CD1-CD2 4.31Å; I151-L167 HydrophobicContact CD1-CD1 4.18Å; F156-L167 HydrophobicContact CE2-CD1 4.41Å; F156-L167 HydrophobicContact CZ-CD1 4.21Å; L165-L167 HydrophobicContact CD1-CD1 4.02Å; L165-L167 HydrophobicContact CD1-CD2 4.5Å; L165-L167 HydrophobicContact CD1-CG 3.95Å; L165-L167 HydrophobicContact CD2-CD1 3.86Å; L165-L167 HydrophobicContact CG-CD1 3.81Å; L165-L167 HydrophobicContact CG-CG 4.07Å; L167-I172 HydrophobicContact CB-CD1 4.3Å; L167-I172 HydrophobicContact CD1-CD1 4.41Å; L167-D189 CarbonylContact C-O 3.52Å; L167-D189 WeakPolarHBondContact CA-O 3.04Å; L167-D189 WeakPolarHBondContact CB-O 3.44Å; L167-D189 PolarHBondContact N-O 2.96Å; L167-L190 HydrophobicContact CB-CD2 4.1Å; L167-L190 HydrophobicContact CD1-CD2 4.19Å; L167-N193 PolarHBondContact O-ND2 2.78Å
168	N	85.6	Confident	90.4	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.201	C	C	.	.			trans	-65	159.2	179.1	59.9	-75.9	0	0	0	112.8	D144 N145 I166 N170 R191 E830	D144-N168 WeakPolarHBondContact CA-O 3Å; N145-N168 PolarHBondContact N-O 2.74Å; I166-N168 WeakPolarHBondContact CG2-OD1 3.23Å; N168-N170 VanDerWaalsContact C-N 3.25Å; N168-N170 PolarHBondContact O-N 3.01Å; N168-N170 PolarHBondContact O-ND2 3.3Å; N168-R191 CarbonylContact C-O 3.4Å; N168-R191 VanDerWaalsContact CA-O 3.25Å; N168-R191 WeakPolarHBondContact CA-O 3.35Å; N168-R191 HydrophobicContact CB-CB 4.01Å; N168-E830 PolarHBondContact ND2-OE1 3.13Å
169	D	85.4	Confident	90.6	Very high	76 Å²	76	35 Å²	35	41%	0.406	19%	0.186	S	C	.	.	S	Bend	trans	53.6	44.2	170.4	-61.6	-71.8	0	0	0	112.9	N145 R191	N145-D169 VanDerWaalsContact OD1-CB 3.23Å; N145-D169 WeakPolarHBondContact OD1-CB 3.32Å; D169-R191 PolarHBondContact N-O 3.47Å
170	N	91.8	Very high	90.5	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.043	19%	0.186	C	C	.	.	S	Bend	trans	-115.2	-175.5	173.9	-89.6	-94.1	0	0	0	110.6	A143 N146 I148 N168 I172 N193	A143-N170 PolarHBondContact O-ND2 3.42Å; N146-N170 WeakPolarHBondContact CA-OD1 3.25Å; N146-N170 WeakPolarHBondContact CB-OD1 3.5Å; N146-N170 PolarHBondContact O-OD1 2.84Å; I148-N170 HydrophobicContact CB-CB 4.47Å; I148-N170 VanDerWaalsContact CB-OD1 3.24Å; I148-N170 WeakPolarHBondContact CB-OD1 3.3Å; I148-N170 WeakPolarHBondContact CD1-OD1 3.41Å; I148-N170 VanDerWaalsContact CG1-OD1 3.26Å; I148-N170 WeakPolarHBondContact CG1-OD1 3.22Å; I148-N170 PolarHBondContact N-OD1 2.79Å; I148-N170 VanDerWaalsContact N-OD1 3.08Å; N168-N170 VanDerWaalsContact C-N 3.25Å; N168-N170 PolarHBondContact O-N 3.01Å; N168-N170 PolarHBondContact O-ND2 3.3Å; N170-I172 HydrophobicContact CB-CD1 4.43Å; N170-I172 HydrophobicContact CB-CG1 4.28Å; N170-N193 VanDerWaalsContact C-OD1 3.23Å; N170-N193 WeakPolarHBondContact CB-OD1 3.43Å; N170-N193 WeakPolarHBondContact O-CA 3.42Å; N170-N193 PolarHBondContact O-OD1 3.41Å
171	A	93.1	Very high	90.3	Very high	28 Å²	28	37.7 Å²	37.7	23%	0.231	19%	0.19	C	C	.	.			trans	-105.9	16.9	-174.9	0	0	0	0	0	114.5	I148 T149 E173 Q194	I148-A171 CarbonylContact O-C 3.43Å; I148-A171 VanDerWaalsContact O-CA 3.26Å; I148-A171 WeakPolarHBondContact O-CA 3.17Å; I148-A171 WeakPolarHBondContact O-CB 3.2Å; I148-A171 PolarHBondContact O-N 2.89Å; T149-A171 HydrophobicContact CG2-CB 3.71Å; A171-E173 PolarHBondContact O-N 2.81Å; A171-Q194 WeakPolarHBondContact O-CG 3.19Å
172	I	95.8	Very high	90	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.			trans	-66.5	118.4	-164.9	-55.6	165.5	0	0	0	111.2	I148 I151 L167 N170 S174 L175 N193 Q194 L195	I148-I172 HydrophobicContact CB-CG1 4.37Å; I148-I172 HydrophobicContact CG2-CG1 4.11Å; I148-I172 VanDerWaalsContact O-CG1 3.29Å; I148-I172 WeakPolarHBondContact O-CG1 2.97Å; I148-I172 PolarHBondContact O-N 3Å; I151-I172 HydrophobicContact CD1-CD1 3.81Å; I151-I172 HydrophobicContact CD1-CG1 4.46Å; L167-I172 HydrophobicContact CB-CD1 4.3Å; L167-I172 HydrophobicContact CD1-CD1 4.41Å; N170-I172 HydrophobicContact CB-CD1 4.43Å; N170-I172 HydrophobicContact CB-CG1 4.28Å; I172-S174 WeakPolarHBondContact CG2-O 3.41Å; I172-L175 HydrophobicContact CG2-CD2 3.9Å; I172-L175 HydrophobicContact CG2-CG 4.35Å; I172-N193 HydrophobicContact CB-CB 4.39Å; I172-N193 VanDerWaalsContact CB-OD1 3.22Å; I172-N193 WeakPolarHBondContact CB-OD1 3.3Å; I172-N193 WeakPolarHBondContact CD1-OD1 3.45Å; I172-N193 WeakPolarHBondContact CG1-OD1 3.43Å; I172-N193 PolarHBondContact N-OD1 3.28Å; I172-Q194 CarbonylContact O-C 3.49Å; I172-Q194 VanDerWaalsContact O-C 3.23Å; I172-Q194 VanDerWaalsContact O-CA 3.3Å; I172-Q194 WeakPolarHBondContact O-CA 3.44Å; I172-Q194 WeakPolarHBondContact O-CB 3.18Å; I172-Q194 PolarHBondContact O-N 3.49Å; I172-L195 HydrophobicContact CB-CD2 4.44Å; I172-L195 HydrophobicContact CG2-CD2 3.88Å; I172-L195 PolarHBondContact O-N 3.39Å
173	E	91.1	Very high	89.9	Confident	121 Å²	121	37.3 Å²	37.3	57%	0.565	19%	0.193	S	C	*	.			trans	-83.5	-32.8	179.9	-61.6	-163.5	160.1	0	0	113.6	T149 A171 Q194	T149-E173 PolarHBondContact O-N 2.76Å; A171-E173 PolarHBondContact O-N 2.81Å; E173-Q194 HydrophobicContact CG-CB 4.34Å
174	S	90.9	Very high	89.9	Confident	77 Å²	77	39 Å²	39	54%	0.538	21%	0.207	S	C	.	.			trans	-158	158.6	179.3	66.6	0	0	0	0	111.9	I172	I172-S174 WeakPolarHBondContact CG2-O 3.41Å
175	L	92.1	Very high	90	Very high	7 Å²	7	39.3 Å²	39.3	4%	0.037	21%	0.209	C	C	.	.			trans	-114.4	132.2	176.2	-66.8	170.9	0	0	0	110.2	I151 I172 L190 L195 L198 F203	I151-L175 HydrophobicContact CD1-CD2 3.89Å; I172-L175 HydrophobicContact CG2-CD2 3.9Å; I172-L175 HydrophobicContact CG2-CG 4.35Å; L175-L190 HydrophobicContact CD1-CD1 3.73Å; L175-L190 HydrophobicContact CD1-CD2 4Å; L175-L195 HydrophobicContact CD1-CD1 4.42Å; L175-L195 HydrophobicContact CD1-CD2 4.43Å; L175-L195 HydrophobicContact CG-CD2 4.08Å; L175-L198 HydrophobicContact CD1-CD2 4.01Å; L175-F203 HydrophobicContact CB-CD2 4.21Å; L175-F203 HydrophobicContact CB-CE2 3.74Å; L175-F203 HydrophobicContact CD1-CE2 3.56Å; L175-F203 HydrophobicContact CD1-CZ 3.64Å; L175-F203 HydrophobicContact CG-CE2 4.26Å
176	P	90.7	Very high	89.5	Confident	17 Å²	17	40.8 Å²	40.8	11%	0.11	22%	0.218	C	C	.	.			trans	-72.1	151	-175.8	27.4	-33.7	0	0	0	112.8	I151 P153 I179	I151-P176 WeakPolarHBondContact O-CD 3.33Å; I151-P176 WeakPolarHBondContact O-CG 3.31Å; P153-P176 HydrophobicContact CB-CB 4.07Å; P153-P176 HydrophobicContact CB-CG 4.43Å; P153-P176 HydrophobicContact CG-CB 3.89Å; P153-P176 HydrophobicContact CG-CG 4.44Å; P176-I179 HydrophobicContact CG-CB 4.11Å; P176-I179 HydrophobicContact CG-CD1 4.21Å; P176-I179 HydrophobicContact CG-CG1 4.25Å; P176-I179 WeakPolarHBondContact O-CB 3.46Å; P176-I179 VanDerWaalsContact O-CG2 3.27Å; P176-I179 WeakPolarHBondContact O-CG2 3.44Å
177	P	87.3	Confident	89.3	Confident	69 Å²	69	41.2 Å²	41.2	45%	0.448	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	144.3	177.7	30.2	-35.3	0	0	0	111.3	I179	P177-I179 VanDerWaalsContact C-N 3.28Å; P177-I179 PolarHBondContact O-N 2.92Å
178	N	87.7	Confident	89.2	Confident	70 Å²	70	41.2 Å²	41.2	37%	0.374	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	2.9	-177.1	-52.3	-83.2	0	0	0	116.2	F180 R181 G202	N178-F180 PolarHBondContact O-N 2.92Å; N178-F180 VanDerWaalsContact O-N 3.11Å; N178-R181 HydrophobicContact CB-CB 4.19Å; N178-R181 WeakPolarHBondContact O-CB 3.39Å; N178-R181 PolarHBondContact O-N 3.12Å; N178-G202 WeakPolarHBondContact CA-O 3.4Å; N178-G202 PolarHBondContact N-O 2.94Å
179	I	90.8	Very high	89.1	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.01	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-32.1	-178.8	-167.9	59.1	0	0	0	114.4	I151 E152 P153 A155 F156 P176 P177 F203	I151-I179 HydrophobicContact CG2-CD1 4.13Å; I151-I179 HydrophobicContact CG2-CG1 4.46Å; E152-I179 VanDerWaalsContact O-CD1 3.3Å; E152-I179 WeakPolarHBondContact O-CD1 3.15Å; P153-I179 WeakPolarHBondContact O-CD1 2.99Å; A155-I179 HydrophobicContact CB-CD1 4.3Å; F156-I179 HydrophobicContact CD2-CD1 4.03Å; F156-I179 HydrophobicContact CD2-CG1 3.76Å; F156-I179 HydrophobicContact CE2-CG1 4.33Å; P176-I179 HydrophobicContact CG-CB 4.11Å; P176-I179 HydrophobicContact CG-CD1 4.21Å; P176-I179 HydrophobicContact CG-CG1 4.25Å; P176-I179 WeakPolarHBondContact O-CB 3.46Å; P176-I179 VanDerWaalsContact O-CG2 3.27Å; P176-I179 WeakPolarHBondContact O-CG2 3.44Å; P177-I179 VanDerWaalsContact C-N 3.28Å; P177-I179 PolarHBondContact O-N 2.92Å; I179-F203 HydrophobicContact CG2-CD2 3.73Å; I179-F203 HydrophobicContact CG2-CE2 3.94Å
180	F	90.6	Very high	89.5	Confident	3 Å²	3	37.5 Å²	37.5	1%	0.013	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	13.4	178.1	-58.3	-44.8	0	0	0	114.2	F156 L165 N178 F182 V183 L185 L188 F203 I207	F156-F180 HydrophobicContact CD2-CD1 4.3Å; F156-F180 AromaticContact CD2-CE1 3.64Å; F156-F180 HydrophobicContact CD2-CE1 3.64Å; F156-F180 HydrophobicContact CE2-CE1 4.06Å; L165-F180 HydrophobicContact CD2-CE1 3.56Å; L165-F180 HydrophobicContact CD2-CZ 3.86Å; N178-F180 PolarHBondContact O-N 2.92Å; N178-F180 VanDerWaalsContact O-N 3.11Å; F180-F182 PolarHBondContact O-N 2.81Å; F180-F182 VanDerWaalsContact O-N 3.07Å; F180-V183 HydrophobicContact CB-CB 4.31Å; F180-V183 HydrophobicContact CD1-CB 4.21Å; F180-V183 HydrophobicContact CD1-CG1 4.4Å; F180-V183 HydrophobicContact CD1-CG2 4.38Å; F180-V183 PolarHBondContact O-N 2.83Å; F180-L185 HydrophobicContact CD1-CD1 3.65Å; F180-L185 HydrophobicContact CD2-CD1 4.16Å; F180-L185 HydrophobicContact CE1-CD1 3.59Å; F180-L185 HydrophobicContact CE2-CD1 4.07Å; F180-L185 HydrophobicContact CG-CD1 3.95Å; F180-L185 HydrophobicContact CZ-CD1 3.81Å; F180-L188 HydrophobicContact CE2-CD2 3.57Å; F180-L188 HydrophobicContact CZ-CD1 4.27Å; F180-L188 HydrophobicContact CZ-CD2 3.88Å; F180-F203 HydrophobicContact CD2-CD2 4.06Å; F180-F203 AromaticContact CD2-CE2 3.63Å; F180-F203 HydrophobicContact CD2-CE2 3.63Å; F180-F203 HydrophobicContact CD2-CZ 4.04Å; F180-F203 HydrophobicContact CE2-CD2 4.2Å; F180-F203 AromaticContact CE2-CE2 3.33Å; F180-F203 HydrophobicContact CE2-CE2 3.33Å; F180-F203 AromaticContact CE2-CZ 3.61Å; F180-F203 HydrophobicContact CE2-CZ 3.61Å; F180-F203 HydrophobicContact CZ-CE2 4.36Å; F180-I207 HydrophobicContact CB-CG2 4.01Å; F180-I207 HydrophobicContact CD2-CG2 3.54Å; F180-I207 HydrophobicContact CE2-CG2 4.36Å; F180-I207 HydrophobicContact CG-CG2 4.1Å
181	R	86.5	Confident	89.2	Confident	140 Å²	140	37.7 Å²	37.7	53%	0.528	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-28.1	-174.2	176.7	167.5	-179.6	-179.4	0.1	114.8	N178	N178-R181 HydrophobicContact CB-CB 4.19Å; N178-R181 WeakPolarHBondContact O-CB 3.39Å; N178-R181 PolarHBondContact O-N 3.12Å
182	F	87.2	Confident	88.8	Confident	118 Å²	118	37 Å²	37	52%	0.518	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.9	12.1	179.4	-53.9	-66.7	0	0	0	112.7	F180	F180-F182 PolarHBondContact O-N 2.81Å; F180-F182 VanDerWaalsContact O-N 3.07Å
183	V	90.4	Very high	88.7	Confident	9 Å²	9	37 Å²	37	6%	0.055	20%	0.195	C	C	.	.			trans	-114	107.5	-167.9	-167.3	0	0	0	0	109.2	F156 L162 F180 L185	F156-V183 HydrophobicContact CB-CG2 4.11Å; F156-V183 WeakPolarHBondContact O-CG2 3.35Å; L162-V183 HydrophobicContact CB-CG1 3.75Å; L162-V183 HydrophobicContact CD2-CG1 3.92Å; L162-V183 HydrophobicContact CG-CG1 4.34Å; F180-V183 HydrophobicContact CB-CB 4.31Å; F180-V183 HydrophobicContact CD1-CB 4.21Å; F180-V183 HydrophobicContact CD1-CG1 4.4Å; F180-V183 HydrophobicContact CD1-CG2 4.38Å; F180-V183 PolarHBondContact O-N 2.83Å; V183-L185 HydrophobicContact CG1-CD2 4.01Å; V183-L185 HydrophobicContact CG1-CG 3.88Å; V183-L185 PolarHBondContact O-N 2.77Å
184	P	88.1	Confident	88.8	Confident	66 Å²	66	33.5 Å²	33.5	43%	0.429	18%	0.179	S	C	.	.			trans	-82.3	52.9	-169.3	35.8	-38.2	0	0	0	113.1	N160 L162 T186	N160-P184 WeakPolarHBondContact O-CD 3.48Å; N160-P184 WeakPolarHBondContact O-CG 3.2Å; L162-P184 CarbonylContact O-C 3.47Å; P184-T186 PolarHBondContact O-N 3.02Å
185	L	89.4	Confident	88.9	Confident	8 Å²	8	29.9 Å²	29.9	4%	0.042	15%	0.153	C	C	.	.			trans	-58.4	130.1	-175.4	-68.1	179	0	0	0	112.4	L162 L165 F180 V183 L188 I210	L162-L185 HydrophobicContact CB-CD2 4.42Å; L162-L185 HydrophobicContact CD2-CD2 3.96Å; L162-L185 HydrophobicContact CG-CD2 3.94Å; L162-L185 PolarHBondContact O-N 3.31Å; L165-L185 HydrophobicContact CB-CD1 4.36Å; L165-L185 HydrophobicContact CB-CD2 3.72Å; L165-L185 HydrophobicContact CD2-CD1 4.27Å; F180-L185 HydrophobicContact CD1-CD1 3.65Å; F180-L185 HydrophobicContact CD2-CD1 4.16Å; F180-L185 HydrophobicContact CE1-CD1 3.59Å; F180-L185 HydrophobicContact CE2-CD1 4.07Å; F180-L185 HydrophobicContact CG-CD1 3.95Å; F180-L185 HydrophobicContact CZ-CD1 3.81Å; V183-L185 HydrophobicContact CG1-CD2 4.01Å; V183-L185 HydrophobicContact CG1-CG 3.88Å; V183-L185 PolarHBondContact O-N 2.77Å; L185-L188 HydrophobicContact CD1-CB 4.39Å; L185-L188 HydrophobicContact CD1-CD1 4.45Å; L185-L188 HydrophobicContact CD1-CD2 4.24Å; L185-I210 HydrophobicContact CB-CD1 4.3Å
186	T	84.9	Confident	88.9	Confident	30 Å²	30	34.2 Å²	34.2	18%	0.184	17%	0.174	C	C	.	.	S	Bend	trans	-103.4	-28.6	165.6	67.6	0	0	0	0	111.3	K163 P184 I210 L211 D212 V836	K163-T186 PolarHBondContact O-N 2.91Å; K163-T186 PolarHBondContact O-OG1 2.9Å; P184-T186 PolarHBondContact O-N 3.02Å; T186-I210 VanDerWaalsContact O-CG1 3.31Å; T186-I210 WeakPolarHBondContact O-CG1 3.49Å; T186-L211 HydrophobicContact CG2-CD1 4.35Å; T186-L211 CarbonylContact O-C 3.41Å; T186-L211 VanDerWaalsContact O-CA 3.29Å; T186-L211 WeakPolarHBondContact O-CA 3.39Å; T186-L211 VanDerWaalsContact O-CB 3.25Å; T186-L211 WeakPolarHBondContact O-CB 3.43Å; T186-L211 PolarHBondContact O-N 3.09Å; T186-D212 PolarHBondContact O-N 2.91Å; T186-V836 WeakPolarHBondContact OG1-CG1 3.46Å
187	H	81.9	Confident	88.8	Confident	15 Å²	15	35.7 Å²	35.7	7%	0.069	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	128.5	179	-65	60.9	0	0	0	110.5	K163 V164 L165 D212 K824 Y833 V836	K163-H187 PolarHBondContact O-N 3.13Å; V164-H187 WeakPolarHBondContact CA-O 3.39Å; V164-H187 HydrophobicContact CG2-CB 4.29Å; L165-H187 PolarHBondContact N-O 3.13Å; H187-D212 WeakPolarHBondContact CA-O 3.46Å; H187-D212 HydrophobicContact CB-CB 3.88Å; H187-D212 WeakPolarHBondContact CD2-CB 3.27Å; H187-D212 IonicContact CD2-OD2 3.47Å; H187-K824 PolarHBondContact CD2-NZ 2.95Å; H187-K824 PolarHBondContact NE2-NZ 3.33Å; H187-Y833 HydrophobicContact CB-CD1 3.67Å; H187-Y833 HydrophobicContact CB-CE1 3.94Å; H187-V836 WeakPolarHBondContact CE1-CG2 3.48Å
188	L	91.9	Very high	88.9	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	132.9	175.5	177.7	56.7	0	0	0	109.6	L165 F180 L185 L190 I210 D212 L213 Q214	L165-L188 HydrophobicContact CB-CD1 4.01Å; L165-L188 HydrophobicContact CD2-CD1 3.95Å; L165-L188 HydrophobicContact CG-CD1 3.88Å; L165-L188 WeakPolarHBondContact O-CA 3.43Å; F180-L188 HydrophobicContact CE2-CD2 3.57Å; F180-L188 HydrophobicContact CZ-CD1 4.27Å; F180-L188 HydrophobicContact CZ-CD2 3.88Å; L185-L188 HydrophobicContact CD1-CB 4.39Å; L185-L188 HydrophobicContact CD1-CD1 4.45Å; L185-L188 HydrophobicContact CD1-CD2 4.24Å; L188-L190 HydrophobicContact CD1-CD2 4.25Å; L188-L190 HydrophobicContact CD1-CG 4.15Å; L188-L190 HydrophobicContact CD2-CD1 3.99Å; L188-L190 HydrophobicContact CD2-CG 4.43Å; L188-L190 HydrophobicContact CG-CD1 4.13Å; L188-L190 HydrophobicContact CG-CG 4.06Å; L188-I210 HydrophobicContact CB-CD1 3.51Å; L188-I210 HydrophobicContact CD2-CD1 4.47Å; L188-D212 PolarHBondContact N-O 3.05Å; L188-L213 HydrophobicContact CB-CD1 4Å; L188-L213 HydrophobicContact CD2-CD1 3.76Å; L188-L213 HydrophobicContact CG-CD1 3.91Å; L188-L213 VanDerWaalsContact O-CA 3.24Å; L188-L213 WeakPolarHBondContact O-CA 3.12Å; L188-Q214 PolarHBondContact O-N 3.42Å
189	D	84.4	Confident	88.6	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	125.2	174.2	-170.4	-16.9	0	0	0	110.6	L165 L167 R191 Q214 Y833	L165-D189 PolarHBondContact O-N 2.91Å; L165-D189 VanDerWaalsContact O-N 3.11Å; L167-D189 CarbonylContact C-O 3.52Å; L167-D189 WeakPolarHBondContact CA-O 3.04Å; L167-D189 WeakPolarHBondContact CB-O 3.44Å; L167-D189 PolarHBondContact N-O 2.96Å; D189-R191 WeakPolarHBondContact OD1-CB 3.32Å; D189-R191 VanDerWaalsContact OD1-CG 3.27Å; D189-R191 WeakPolarHBondContact OD1-CG 3.34Å; D189-R191 IonicContact OD1-CZ 3.52Å; D189-R191 PolarHBondContact OD1-N 2.92Å; D189-R191 IonicContact OD1-NE 3.86Å; D189-R191 PolarHBondContact OD1-NE 3.03Å; D189-R191 VanDerWaalsContact OD1-NE 3.11Å; D189-R191 IonicContact OD1-NH2 3.72Å; D189-R191 IonicContact OD2-CZ 3.82Å; D189-R191 VanDerWaalsContact OD2-CZ 3.22Å; D189-R191 IonicContact OD2-NE 2.81Å; D189-R191 PolarHBondContact OD2-NE 3.01Å; D189-R191 IonicContact OD2-NH2 3.66Å; D189-R191 PolarHBondContact OD2-NH2 2.91Å; D189-Q214 HydrophobicContact CB-CB 4.23Å; D189-Q214 HydrophobicContact CB-CG 3.98Å; D189-Q214 VanDerWaalsContact CG-CG 3.5Å; D189-Q214 VanDerWaalsContact OD1-CB 3.31Å; D189-Q214 WeakPolarHBondContact OD1-CB 3Å; D189-Y833 WeakPolarHBondContact CB-OH 3.42Å; D189-Y833 PolarHBondContact OD2-OH 3.44Å; D189-Y833 VanDerWaalsContact OD2-OH 3.07Å
190	L	93.4	Very high	88.1	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.175	C	C	.	.			trans	-125.7	18.4	-178.3	-64.7	166.8	0	0	0	111.6	L167 L175 L188 N193 L195 L213 Q214 L215 N218	L167-L190 HydrophobicContact CB-CD2 4.1Å; L167-L190 HydrophobicContact CD1-CD2 4.19Å; L175-L190 HydrophobicContact CD1-CD1 3.73Å; L175-L190 HydrophobicContact CD1-CD2 4Å; L188-L190 HydrophobicContact CD1-CD2 4.25Å; L188-L190 HydrophobicContact CD1-CG 4.15Å; L188-L190 HydrophobicContact CD2-CD1 3.99Å; L188-L190 HydrophobicContact CD2-CG 4.43Å; L188-L190 HydrophobicContact CG-CD1 4.13Å; L188-L190 HydrophobicContact CG-CG 4.06Å; L190-N193 WeakPolarHBondContact O-CB 3.35Å; L190-N193 PolarHBondContact O-ND2 3.34Å; L190-N193 VanDerWaalsContact O-ND2 3.12Å; L190-L195 HydrophobicContact CB-CD1 4.05Å; L190-L195 HydrophobicContact CD1-CD1 3.99Å; L190-L195 HydrophobicContact CG-CD1 4.42Å; L190-L213 HydrophobicContact CD1-CD1 4.44Å; L190-Q214 PolarHBondContact N-O 3.24Å; L190-L215 HydrophobicContact CD1-CD2 4.05Å; L190-N218 PolarHBondContact O-ND2 3.18Å
191	R	85.5	Confident	87.6	Confident	12 Å²	12	40.7 Å²	40.7	5%	0.045	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	156.3	-178.4	-70.1	176.5	-63	124.5	9.3	112.6	N168 D169 D189 N193 Q214 E216	N168-R191 CarbonylContact C-O 3.4Å; N168-R191 VanDerWaalsContact CA-O 3.25Å; N168-R191 WeakPolarHBondContact CA-O 3.35Å; N168-R191 HydrophobicContact CB-CB 4.01Å; D169-R191 PolarHBondContact N-O 3.47Å; D189-R191 WeakPolarHBondContact OD1-CB 3.32Å; D189-R191 VanDerWaalsContact OD1-CG 3.27Å; D189-R191 WeakPolarHBondContact OD1-CG 3.34Å; D189-R191 IonicContact OD1-CZ 3.52Å; D189-R191 PolarHBondContact OD1-N 2.92Å; D189-R191 IonicContact OD1-NE 3.86Å; D189-R191 PolarHBondContact OD1-NE 3.03Å; D189-R191 VanDerWaalsContact OD1-NE 3.11Å; D189-R191 IonicContact OD1-NH2 3.72Å; D189-R191 IonicContact OD2-CZ 3.82Å; D189-R191 VanDerWaalsContact OD2-CZ 3.22Å; D189-R191 IonicContact OD2-NE 2.81Å; D189-R191 PolarHBondContact OD2-NE 3.01Å; D189-R191 IonicContact OD2-NH2 3.66Å; D189-R191 PolarHBondContact OD2-NH2 2.91Å; R191-N193 PolarHBondContact O-N 2.74Å; R191-N193 PolarHBondContact O-ND2 3.35Å; R191-Q214 HydrophobicContact CG-CB 3.54Å; R191-Q214 HydrophobicContact CG-CG 4.4Å; R191-E216 WeakPolarHBondContact CA-O 3.5Å; R191-E216 HydrophobicContact CG-CB 4.07Å; R191-E216 WeakPolarHBondContact CG-OE2 3.49Å
192	G	83.9	Confident	87	Confident	13 Å²	13	34 Å²	34	13%	0.134	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	-3.4	176.1	0	0	0	0	0	116.2	Q194 E216	G192-Q194 PolarHBondContact O-NE2 2.85Å; G192-Q194 VanDerWaalsContact O-NE2 3.09Å; G192-E216 PolarHBondContact N-O 3.05Å; G192-E216 VanDerWaalsContact N-O 3.08Å
193	N	93.4	Very high	86.9	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.155	C	C	.	.			trans	-78.8	-175.8	-177.1	-80.1	-88.5	0	0	0	113.3	L167 N170 I172 L190 R191 L195 N218	L167-N193 PolarHBondContact O-ND2 2.78Å; N170-N193 VanDerWaalsContact C-OD1 3.23Å; N170-N193 WeakPolarHBondContact CB-OD1 3.43Å; N170-N193 WeakPolarHBondContact O-CA 3.42Å; N170-N193 PolarHBondContact O-OD1 3.41Å; I172-N193 HydrophobicContact CB-CB 4.39Å; I172-N193 VanDerWaalsContact CB-OD1 3.22Å; I172-N193 WeakPolarHBondContact CB-OD1 3.3Å; I172-N193 WeakPolarHBondContact CD1-OD1 3.45Å; I172-N193 WeakPolarHBondContact CG1-OD1 3.43Å; I172-N193 PolarHBondContact N-OD1 3.28Å; L190-N193 WeakPolarHBondContact O-CB 3.35Å; L190-N193 PolarHBondContact O-ND2 3.34Å; L190-N193 VanDerWaalsContact O-ND2 3.12Å; R191-N193 PolarHBondContact O-N 2.74Å; R191-N193 PolarHBondContact O-ND2 3.35Å; N193-L195 HydrophobicContact CB-CG 4.32Å; N193-N218 WeakPolarHBondContact CA-OD1 3.39Å; N193-N218 WeakPolarHBondContact CB-OD1 3.1Å; N193-N218 WeakPolarHBondContact O-CA 3.33Å; N193-N218 PolarHBondContact O-OD1 3.18Å
194	Q	93.8	Very high	86.6	Confident	48 Å²	48	28 Å²	28	22%	0.224	15%	0.152	C	C	.	.			trans	-109.8	16.8	-172.3	-48.2	-52	-50.2	0	0	112.6	A171 I172 E173 G192 Q196 N218 K219	A171-Q194 WeakPolarHBondContact O-CG 3.19Å; I172-Q194 CarbonylContact O-C 3.49Å; I172-Q194 VanDerWaalsContact O-C 3.23Å; I172-Q194 VanDerWaalsContact O-CA 3.3Å; I172-Q194 WeakPolarHBondContact O-CA 3.44Å; I172-Q194 WeakPolarHBondContact O-CB 3.18Å; I172-Q194 PolarHBondContact O-N 3.49Å; E173-Q194 HydrophobicContact CG-CB 4.34Å; G192-Q194 PolarHBondContact O-NE2 2.85Å; G192-Q194 VanDerWaalsContact O-NE2 3.09Å; Q194-Q196 PolarHBondContact O-N 3.31Å; Q194-N218 PolarHBondContact N-OD1 3.46Å; Q194-K219 VanDerWaalsContact OE1-CD 3.29Å
195	L	93.6	Very high	86.3	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.157	C	C	.	.			trans	-61.9	132.1	-171.9	-58.5	170.6	0	0	0	111.7	I172 L175 L190 N193 L198 N218 K219 W220	I172-L195 HydrophobicContact CB-CD2 4.44Å; I172-L195 HydrophobicContact CG2-CD2 3.88Å; I172-L195 PolarHBondContact O-N 3.39Å; L175-L195 HydrophobicContact CD1-CD1 4.42Å; L175-L195 HydrophobicContact CD1-CD2 4.43Å; L175-L195 HydrophobicContact CG-CD2 4.08Å; L190-L195 HydrophobicContact CB-CD1 4.05Å; L190-L195 HydrophobicContact CD1-CD1 3.99Å; L190-L195 HydrophobicContact CG-CD1 4.42Å; N193-L195 HydrophobicContact CB-CG 4.32Å; L195-L198 HydrophobicContact CD1-CD2 4.46Å; L195-N218 HydrophobicContact CB-CB 4.32Å; L195-N218 WeakPolarHBondContact CB-OD1 3.26Å; L195-N218 WeakPolarHBondContact CG-OD1 3.41Å; L195-N218 PolarHBondContact N-OD1 3.38Å; L195-K219 CarbonylContact O-C 3.59Å; L195-K219 WeakPolarHBondContact O-CA 3.49Å; L195-K219 PolarHBondContact O-N 3.44Å; L195-W220 HydrophobicContact CB-CH2 3.64Å; L195-W220 HydrophobicContact CB-CZ2 4.15Å; L195-W220 HydrophobicContact CB-CZ3 3.87Å; L195-W220 HydrophobicContact CD1-CH2 3.89Å; L195-W220 HydrophobicContact CD1-CZ2 4.32Å; L195-W220 HydrophobicContact CG-CH2 4.42Å; L195-W220 PolarHBondContact O-N 3.08Å
196	Q	90.8	Very high	85.9	Confident	99 Å²	99	32.8 Å²	32.8	46%	0.463	17%	0.169	S	C	.	.			trans	-103.2	-31	176.8	-64.3	179.2	62.6	0	0	112.3	Q194 K219 A221	Q194-Q196 PolarHBondContact O-N 3.31Å; Q196-K219 HydrophobicContact CG-CB 4.45Å; Q196-A221 HydrophobicContact CB-CB 4.23Å; Q196-A221 PolarHBondContact O-N 2.86Å
197	T	90	Very high	85.7	Confident	47 Å²	47	31.5 Å²	31.5	29%	0.288	16%	0.161	S	C	.	.			trans	-155.8	162	179	-169.4	0	0	0	0	111.8
198	L	89.5	Confident	85.1	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.176	C	C	.	.			trans	-124.4	121.6	170.8	-69.3	175.6	0	0	0	108.8	L175 L195 F203 L215 W220 L229	L175-L198 HydrophobicContact CD1-CD2 4.01Å; L195-L198 HydrophobicContact CD1-CD2 4.46Å; L198-F203 HydrophobicContact CB-CD1 4.48Å; L198-F203 HydrophobicContact CB-CE1 4.46Å; L198-F203 HydrophobicContact CD1-CE1 4.06Å; L198-F203 HydrophobicContact CD2-CD1 4.42Å; L198-F203 HydrophobicContact CD2-CE1 3.83Å; L198-F203 HydrophobicContact CD2-CZ 3.88Å; L198-F203 HydrophobicContact CG-CE1 4.34Å; L198-L215 HydrophobicContact CD1-CD1 4.5Å; L198-L215 HydrophobicContact CD1-CD2 3.9Å; L198-W220 HydrophobicContact CD1-CH2 3.88Å; L198-W220 HydrophobicContact CD1-CZ3 4.38Å; L198-W220 HydrophobicContact CD2-CH2 4.4Å; L198-W220 HydrophobicContact CG-CH2 3.77Å; L198-W220 HydrophobicContact CG-CZ3 3.9Å; L198-L229 HydrophobicContact CB-CD1 4.44Å; L198-L229 HydrophobicContact CB-CD2 4.46Å; L198-L229 HydrophobicContact CD1-CD1 4.04Å; L198-L229 HydrophobicContact CD1-CD2 4.24Å
199	P	81.1	Confident	84.2	Confident	46 Å²	46	42.5 Å²	42.5	30%	0.299	21%	0.213	S	C	.	.			trans	-67.5	144.7	179	27.8	-32.8	0	0	0	110.5	F203 L204	P199-F203 HydrophobicContact CG-CB 4.02Å; P199-F203 WeakPolarHBondContact O-CB 3.49Å; P199-L204 PolarHBondContact O-N 3.24Å
200	Y	80.6	Confident	84.1	Confident	100 Å²	100	42.5 Å²	42.5	39%	0.392	21%	0.213	S	C	.	.	I	π-helix	trans	-75.6	-55.9	173.1	-179.1	-87.1	0	0	0	111.5	G202 F203 L204 E205	Y200-G202 PolarHBondContact O-N 3.29Å; Y200-F203 PolarHBondContact O-N 3Å; Y200-L204 HydrophobicContact CD2-CB 3.97Å; Y200-L204 HydrophobicContact CD2-CD1 4.19Å; Y200-L204 HydrophobicContact CG-CB 4.48Å; Y200-L204 PolarHBondContact O-N 3.25Å; Y200-L204 VanDerWaalsContact O-N 3.15Å; Y200-E205 PolarHBondContact O-N 3.31Å
201	V	78.7	Confident	83.3	Confident	103 Å²	103	44.1 Å²	44.1	62%	0.624	22%	0.222	S	C	*	.	I	π-helix	trans	-59.8	120.6	-178	-179.2	0	0	0	0	109.5	F203	V201-F203 VanDerWaalsContact C-N 3.26Å; V201-F203 PolarHBondContact O-N 3.47Å
202	G	74.5	Confident	82.9	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.22	C	C	.	.	I	π-helix	trans	76.5	-9.1	178.8	0	0	0	0	0	116.4	N178 Y200 E205 H206	N178-G202 WeakPolarHBondContact CA-O 3.4Å; N178-G202 PolarHBondContact N-O 2.94Å; Y200-G202 PolarHBondContact O-N 3.29Å; G202-E205 PolarHBondContact N-OE2 3.31Å; G202-H206 VanDerWaalsContact C-ND1 3.33Å; G202-H206 PolarHBondContact O-ND1 3.13Å
203	F	85.7	Confident	83	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.214	C	C	.	.	I	π-helix	trans	-118.6	-70.4	176.4	-177	-77.9	0	0	0	111.3	L175 I179 F180 L198 P199 Y200 V201 E205 H206 I207	L175-F203 HydrophobicContact CB-CD2 4.21Å; L175-F203 HydrophobicContact CB-CE2 3.74Å; L175-F203 HydrophobicContact CD1-CE2 3.56Å; L175-F203 HydrophobicContact CD1-CZ 3.64Å; L175-F203 HydrophobicContact CG-CE2 4.26Å; I179-F203 HydrophobicContact CG2-CD2 3.73Å; I179-F203 HydrophobicContact CG2-CE2 3.94Å; F180-F203 HydrophobicContact CD2-CD2 4.06Å; F180-F203 AromaticContact CD2-CE2 3.63Å; F180-F203 HydrophobicContact CD2-CE2 3.63Å; F180-F203 HydrophobicContact CD2-CZ 4.04Å; F180-F203 HydrophobicContact CE2-CD2 4.2Å; F180-F203 AromaticContact CE2-CE2 3.33Å; F180-F203 HydrophobicContact CE2-CE2 3.33Å; F180-F203 AromaticContact CE2-CZ 3.61Å; F180-F203 HydrophobicContact CE2-CZ 3.61Å; F180-F203 HydrophobicContact CZ-CE2 4.36Å; L198-F203 HydrophobicContact CB-CD1 4.48Å; L198-F203 HydrophobicContact CB-CE1 4.46Å; L198-F203 HydrophobicContact CD1-CE1 4.06Å; L198-F203 HydrophobicContact CD2-CD1 4.42Å; L198-F203 HydrophobicContact CD2-CE1 3.83Å; L198-F203 HydrophobicContact CD2-CZ 3.88Å; L198-F203 HydrophobicContact CG-CE1 4.34Å; P199-F203 HydrophobicContact CG-CB 4.02Å; P199-F203 WeakPolarHBondContact O-CB 3.49Å; Y200-F203 PolarHBondContact O-N 3Å; V201-F203 VanDerWaalsContact C-N 3.26Å; V201-F203 PolarHBondContact O-N 3.47Å; F203-E205 PolarHBondContact O-N 3.07Å; F203-H206 PolarHBondContact O-N 3.46Å; F203-I207 HydrophobicContact CD1-CD1 4.26Å; F203-I207 HydrophobicContact CE1-CD1 3.75Å; F203-I207 HydrophobicContact CE1-CG1 4.48Å; F203-I207 PolarHBondContact O-N 3.13Å
204	L	82.6	Confident	82.5	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	21%	0.214	C	C	.	.	I	π-helix	trans	-63.2	-26.4	-179	-62.8	173	0	0	0	112.9	P199 Y200 I207 L229 W232	P199-L204 PolarHBondContact O-N 3.24Å; Y200-L204 HydrophobicContact CD2-CB 3.97Å; Y200-L204 HydrophobicContact CD2-CD1 4.19Å; Y200-L204 HydrophobicContact CG-CB 4.48Å; Y200-L204 PolarHBondContact O-N 3.25Å; Y200-L204 VanDerWaalsContact O-N 3.15Å; L204-I207 HydrophobicContact CD2-CD1 4.09Å; L204-I207 HydrophobicContact CD2-CG1 4.5Å; L204-L229 HydrophobicContact CD1-CB 4.22Å; L204-L229 HydrophobicContact CD1-CD1 3.96Å; L204-L229 HydrophobicContact CD2-CD1 3.83Å; L204-W232 HydrophobicContact CB-CD2 4.19Å; L204-W232 HydrophobicContact CB-CG 3.97Å; L204-W232 HydrophobicContact CD1-CB 4.01Å; L204-W232 HydrophobicContact CD1-CD2 4.4Å; L204-W232 HydrophobicContact CD1-CG 4.1Å; L204-W232 HydrophobicContact CD2-CD2 3.75Å; L204-W232 HydrophobicContact CD2-CE3 3.84Å; L204-W232 HydrophobicContact CD2-CG 4.26Å; L204-W232 HydrophobicContact CD2-CH2 4.28Å; L204-W232 HydrophobicContact CD2-CZ2 4.18Å; L204-W232 HydrophobicContact CD2-CZ3 4.09Å; L204-W232 HydrophobicContact CG-CD2 4.33Å; L204-W232 HydrophobicContact CG-CG 4.33Å; L204-W232 PolarHBondContact O-NE1 2.97Å
205	E	82.2	Confident	82.2	Confident	114 Å²	114	40.9 Å²	40.9	53%	0.533	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-38.6	170.9	-178.2	173.5	-160	0	0	113.3	Y200 G202 F203	Y200-E205 PolarHBondContact O-N 3.31Å; G202-E205 PolarHBondContact N-OE2 3.31Å; F203-E205 PolarHBondContact O-N 3.07Å
206	H	81.8	Confident	81.8	Confident	61 Å²	61	41.1 Å²	41.1	28%	0.282	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-32.3	-174.9	-64.7	118.1	0	0	0	113	G202 F203 G208	G202-H206 VanDerWaalsContact C-ND1 3.33Å; G202-H206 PolarHBondContact O-ND1 3.13Å; F203-H206 PolarHBondContact O-N 3.46Å; H206-G208 VanDerWaalsContact C-N 3.27Å; H206-G208 PolarHBondContact O-N 2.97Å
207	I	80.6	Confident	81.3	Confident	3 Å²	3	41.6 Å²	41.6	2%	0.015	21%	0.21	C	C	.	.	S	Bend	trans	-84.6	13.2	178.2	63.9	161	0	0	0	114.3	F180 F203 L204 R209 I210 L213 W232	F180-I207 HydrophobicContact CB-CG2 4.01Å; F180-I207 HydrophobicContact CD2-CG2 3.54Å; F180-I207 HydrophobicContact CE2-CG2 4.36Å; F180-I207 HydrophobicContact CG-CG2 4.1Å; F203-I207 HydrophobicContact CD1-CD1 4.26Å; F203-I207 HydrophobicContact CE1-CD1 3.75Å; F203-I207 HydrophobicContact CE1-CG1 4.48Å; F203-I207 PolarHBondContact O-N 3.13Å; L204-I207 HydrophobicContact CD2-CD1 4.09Å; L204-I207 HydrophobicContact CD2-CG1 4.5Å; I207-R209 PolarHBondContact O-N 3.01Å; I207-I210 VanDerWaalsContact O-CB 3.29Å; I207-I210 WeakPolarHBondContact O-CB 3.43Å; I207-I210 WeakPolarHBondContact O-CG2 3.22Å; I207-I210 PolarHBondContact O-N 2.92Å; I207-L213 HydrophobicContact CD1-CD2 3.86Å; I207-W232 HydrophobicContact CD1-CH2 3.88Å; I207-W232 HydrophobicContact CD1-CZ2 3.88Å; I207-W232 HydrophobicContact CG1-CH2 4.33Å; I207-W232 HydrophobicContact CG1-CZ2 3.82Å
208	G	68.8	Low	81.3	Confident	37 Å²	37	39.9 Å²	39.9	38%	0.381	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	6.2	-177.2	0	0	0	0	0	116.9	H206	H206-G208 VanDerWaalsContact C-N 3.27Å; H206-G208 PolarHBondContact O-N 2.97Å
209	R	74.1	Confident	81.3	Confident	209 Å²	209	44.7 Å²	44.7	79%	0.789	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.7	5.9	173.1	-66.1	-175	179.4	176.8	1.2	113.5	I207	I207-R209 PolarHBondContact O-N 3.01Å
210	I	81.9	Confident	81.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.206	C	C	.	.			trans	-69.6	139.2	-169.3	-152.3	168.9	0	0	0	111.9	L185 T186 L188 I207 D212 L213 W232 M236 S240	L185-I210 HydrophobicContact CB-CD1 4.3Å; T186-I210 VanDerWaalsContact O-CG1 3.31Å; T186-I210 WeakPolarHBondContact O-CG1 3.49Å; L188-I210 HydrophobicContact CB-CD1 3.51Å; L188-I210 HydrophobicContact CD2-CD1 4.47Å; I207-I210 VanDerWaalsContact O-CB 3.29Å; I207-I210 WeakPolarHBondContact O-CB 3.43Å; I207-I210 WeakPolarHBondContact O-CG2 3.22Å; I207-I210 PolarHBondContact O-N 2.92Å; I210-D212 WeakPolarHBondContact CD1-O 3.1Å; I210-D212 VanDerWaalsContact CG1-O 3.22Å; I210-D212 WeakPolarHBondContact CG1-O 3.24Å; I210-L213 HydrophobicContact CD1-CB 4.38Å; I210-L213 HydrophobicContact CD1-CD1 4.46Å; I210-L213 HydrophobicContact CG2-CB 4.15Å; I210-W232 HydrophobicContact CG2-CH2 4.35Å; I210-M236 HydrophobicContact CG2-CE 3.99Å; I210-S240 WeakPolarHBondContact O-CB 3.34Å; I210-S240 PolarHBondContact O-OG 2.71Å
211	L	76.4	Confident	82.1	Confident	34 Å²	34	38.4 Å²	38.4	18%	0.178	19%	0.193	C	C	.	.	S	Bend	trans	-95.1	-28.7	-179.7	-51.3	-174.4	0	0	0	111.1	T186 S240 I241 L823 K824	T186-L211 HydrophobicContact CG2-CD1 4.35Å; T186-L211 CarbonylContact O-C 3.41Å; T186-L211 VanDerWaalsContact O-CA 3.29Å; T186-L211 WeakPolarHBondContact O-CA 3.39Å; T186-L211 VanDerWaalsContact O-CB 3.25Å; T186-L211 WeakPolarHBondContact O-CB 3.43Å; T186-L211 PolarHBondContact O-N 3.09Å; L211-S240 CarbonylContact O-C 3.59Å; L211-S240 WeakPolarHBondContact O-CA 3.46Å; L211-I241 PolarHBondContact O-N 3.15Å; L211-L823 HydrophobicContact CB-CD1 3.77Å; L211-L823 HydrophobicContact CD1-CD1 4.15Å; L211-L823 HydrophobicContact CD2-CD1 3.7Å; L211-L823 HydrophobicContact CG-CD1 4.05Å; L211-K824 WeakPolarHBondContact O-CD 3.37Å
212	D	76.3	Confident	82.6	Confident	4 Å²	4	33.6 Å²	33.6	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	131.6	175.4	-144.7	-36.9	0	0	0	112.3	T186 H187 L188 I210 Q214 I241 K824	T186-D212 PolarHBondContact O-N 2.91Å; H187-D212 WeakPolarHBondContact CA-O 3.46Å; H187-D212 HydrophobicContact CB-CB 3.88Å; H187-D212 WeakPolarHBondContact CD2-CB 3.27Å; H187-D212 IonicContact CD2-OD2 3.47Å; L188-D212 PolarHBondContact N-O 3.05Å; I210-D212 WeakPolarHBondContact CD1-O 3.1Å; I210-D212 VanDerWaalsContact CG1-O 3.22Å; I210-D212 WeakPolarHBondContact CG1-O 3.24Å; D212-Q214 PolarHBondContact OD1-NE2 3.34Å; D212-I241 VanDerWaalsContact OD1-CB 3.27Å; D212-I241 WeakPolarHBondContact OD1-CB 3.24Å; D212-I241 WeakPolarHBondContact OD1-CD1 3.42Å; D212-I241 VanDerWaalsContact OD1-CG2 3.28Å; D212-I241 WeakPolarHBondContact OD1-CG2 3.36Å; D212-I241 WeakPolarHBondContact OD2-CD1 3.39Å; D212-K824 VanDerWaalsContact CG-NZ 3.35Å; D212-K824 WeakPolarHBondContact OD2-CE 3.04Å; D212-K824 IonicContact OD2-NZ 2.61Å; D212-K824 PolarHBondContact OD2-NZ 3.17Å
213	L	87.2	Confident	83.2	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	88.5	176.8	-178.9	58.3	0	0	0	109.4	L188 L190 I207 I210 L215 W232 I241 I242 G243	L188-L213 HydrophobicContact CB-CD1 4Å; L188-L213 HydrophobicContact CD2-CD1 3.76Å; L188-L213 HydrophobicContact CG-CD1 3.91Å; L188-L213 VanDerWaalsContact O-CA 3.24Å; L188-L213 WeakPolarHBondContact O-CA 3.12Å; L190-L213 HydrophobicContact CD1-CD1 4.44Å; I207-L213 HydrophobicContact CD1-CD2 3.86Å; I210-L213 HydrophobicContact CD1-CB 4.38Å; I210-L213 HydrophobicContact CD1-CD1 4.46Å; I210-L213 HydrophobicContact CG2-CB 4.15Å; L213-L215 HydrophobicContact CD1-CD2 3.91Å; L213-L215 HydrophobicContact CD1-CG 4.35Å; L213-L215 HydrophobicContact CD2-CD1 4.18Å; L213-L215 HydrophobicContact CD2-CD2 4.47Å; L213-L215 HydrophobicContact CD2-CG 4.45Å; L213-L215 HydrophobicContact CG-CD1 4.18Å; L213-L215 HydrophobicContact CG-CD2 4Å; L213-L215 HydrophobicContact CG-CG 3.93Å; L213-W232 HydrophobicContact CD2-CH2 3.43Å; L213-W232 VanDerWaalsContact CD2-CH2 3.43Å; L213-W232 HydrophobicContact CD2-CZ3 3.61Å; L213-I241 WeakPolarHBondContact CB-O 3.42Å; L213-I241 PolarHBondContact N-O 3Å; L213-I242 HydrophobicContact CB-CG1 4.38Å; L213-I242 HydrophobicContact CB-CG2 4.11Å; L213-I242 HydrophobicContact CD2-CG1 4.41Å; L213-I242 HydrophobicContact CD2-CG2 3.76Å; L213-I242 HydrophobicContact CG-CG2 3.95Å; L213-I242 CarbonylContact O-C 3.59Å; L213-I242 WeakPolarHBondContact O-CA 3.34Å; L213-G243 PolarHBondContact O-N 2.84Å
214	Q	82.3	Confident	83.2	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	140.6	171	-43.4	-74.9	-59.3	0	0	109.6	L188 D189 L190 R191 D212 E216 N826	L188-Q214 PolarHBondContact O-N 3.42Å; D189-Q214 HydrophobicContact CB-CB 4.23Å; D189-Q214 HydrophobicContact CB-CG 3.98Å; D189-Q214 VanDerWaalsContact CG-CG 3.5Å; D189-Q214 VanDerWaalsContact OD1-CB 3.31Å; D189-Q214 WeakPolarHBondContact OD1-CB 3Å; L190-Q214 PolarHBondContact N-O 3.24Å; R191-Q214 HydrophobicContact CG-CB 3.54Å; R191-Q214 HydrophobicContact CG-CG 4.4Å; D212-Q214 PolarHBondContact OD1-NE2 3.34Å; Q214-E216 WeakPolarHBondContact CA-OE2 3.43Å; Q214-E216 WeakPolarHBondContact CB-OE2 3.36Å; Q214-N826 VanDerWaalsContact CD-ND2 3.34Å; Q214-N826 PolarHBondContact NE2-ND2 3.39Å; Q214-N826 PolarHBondContact OE1-ND2 3.19Å
215	L	88.5	Confident	83.3	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.223	C	C	.	.			trans	-140.8	13	-172.6	-67.9	-179.3	0	0	0	113.7	L190 L198 L213 N218 W220 I242 V245	L190-L215 HydrophobicContact CD1-CD2 4.05Å; L198-L215 HydrophobicContact CD1-CD1 4.5Å; L198-L215 HydrophobicContact CD1-CD2 3.9Å; L213-L215 HydrophobicContact CD1-CD2 3.91Å; L213-L215 HydrophobicContact CD1-CG 4.35Å; L213-L215 HydrophobicContact CD2-CD1 4.18Å; L213-L215 HydrophobicContact CD2-CD2 4.47Å; L213-L215 HydrophobicContact CD2-CG 4.45Å; L213-L215 HydrophobicContact CG-CD1 4.18Å; L213-L215 HydrophobicContact CG-CD2 4Å; L213-L215 HydrophobicContact CG-CG 3.93Å; L215-N218 PolarHBondContact O-ND2 3.25Å; L215-W220 HydrophobicContact CB-CZ2 3.92Å; L215-W220 HydrophobicContact CD2-CH2 4.26Å; L215-W220 HydrophobicContact CD2-CZ2 4Å; L215-W220 HydrophobicContact CG-CZ2 4.4Å; L215-W220 PolarHBondContact O-NE1 3.46Å; L215-I242 HydrophobicContact CD1-CG2 3.48Å; L215-I242 VanDerWaalsContact CD1-CG2 3.48Å; L215-I242 HydrophobicContact CG-CG2 4.24Å; L215-V245 HydrophobicContact CB-CG2 4.04Å; L215-V245 HydrophobicContact CD1-CG2 3.59Å; L215-V245 HydrophobicContact CG-CG2 4.48Å
216	E	83.2	Confident	83.6	Confident	6 Å²	6	38.5 Å²	38.5	3%	0.028	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	168.4	-165.7	-65.1	84.6	175.4	0	0	114.5	R191 G192 Q214 N218 G243 D244 L827	R191-E216 WeakPolarHBondContact CA-O 3.5Å; R191-E216 HydrophobicContact CG-CB 4.07Å; R191-E216 WeakPolarHBondContact CG-OE2 3.49Å; G192-E216 PolarHBondContact N-O 3.05Å; G192-E216 VanDerWaalsContact N-O 3.08Å; Q214-E216 WeakPolarHBondContact CA-OE2 3.43Å; Q214-E216 WeakPolarHBondContact CB-OE2 3.36Å; E216-N218 PolarHBondContact O-N 3.05Å; E216-N218 PolarHBondContact O-ND2 2.99Å; E216-G243 VanDerWaalsContact OE1-C 3.26Å; E216-G243 WeakPolarHBondContact OE1-CA 3.35Å; E216-D244 PolarHBondContact OE1-N 3.46Å; E216-L827 HydrophobicContact CB-CD2 4.29Å; E216-L827 HydrophobicContact CG-CD1 3.42Å; E216-L827 VanDerWaalsContact CG-CD1 3.42Å; E216-L827 HydrophobicContact CG-CD2 3.54Å; E216-L827 HydrophobicContact CG-CG 3.97Å; E216-L827 VanDerWaalsContact OE1-CD1 3.24Å; E216-L827 WeakPolarHBondContact OE1-CD1 3.47Å; E216-L827 WeakPolarHBondContact OE1-CD2 3.32Å; E216-L827 VanDerWaalsContact OE1-CG 3.29Å; E216-L827 WeakPolarHBondContact OE1-CG 3.48Å
217	D	81.5	Confident	83.7	Confident	109 Å²	109	37.6 Å²	37.6	58%	0.583	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	18.6	179.3	-52	-42.2	0	0	0	114.4	H828	D217-H828 IonicContact OD2-CD2 3.05Å; D217-H828 IonicContact OD2-CE1 2.69Å; D217-H828 PolarHBondContact OD2-CE1 3.18Å; D217-H828 VanDerWaalsContact OD2-CE1 3.23Å; D217-H828 IonicContact OD2-NE2 2.63Å; D217-H828 PolarHBondContact OD2-NE2 2.86Å
218	N	89.9	Confident	84	Confident	11 Å²	11	42.3 Å²	42.3	6%	0.059	22%	0.216	C	C	.	.			trans	-92	162.3	177.1	-85.2	-90.9	0	0	0	112.6	L190 N193 Q194 L195 L215 E216 W220	L190-N218 PolarHBondContact O-ND2 3.18Å; N193-N218 WeakPolarHBondContact CA-OD1 3.39Å; N193-N218 WeakPolarHBondContact CB-OD1 3.1Å; N193-N218 WeakPolarHBondContact O-CA 3.33Å; N193-N218 PolarHBondContact O-OD1 3.18Å; Q194-N218 PolarHBondContact N-OD1 3.46Å; L195-N218 HydrophobicContact CB-CB 4.32Å; L195-N218 WeakPolarHBondContact CB-OD1 3.26Å; L195-N218 WeakPolarHBondContact CG-OD1 3.41Å; L195-N218 PolarHBondContact N-OD1 3.38Å; L215-N218 PolarHBondContact O-ND2 3.25Å; E216-N218 PolarHBondContact O-N 3.05Å; E216-N218 PolarHBondContact O-ND2 2.99Å; N218-W220 VanDerWaalsContact C-N 3.3Å; N218-W220 HydrophobicContact CB-CD2 4.29Å; N218-W220 HydrophobicContact CB-CG 4.44Å; N218-W220 HydrophobicContact CB-CZ2 3.9Å; N218-W220 PolarHBondContact O-N 2.96Å
219	K	88.5	Confident	84.9	Confident	101 Å²	101	40.5 Å²	40.5	44%	0.439	20%	0.198	S	C	.	.			trans	-91.3	34.6	-171.6	-74.3	177.8	175.7	157.5	0	114.3	Q194 L195 Q196 A221	Q194-K219 VanDerWaalsContact OE1-CD 3.29Å; L195-K219 CarbonylContact O-C 3.59Å; L195-K219 WeakPolarHBondContact O-CA 3.49Å; L195-K219 PolarHBondContact O-N 3.44Å; Q196-K219 HydrophobicContact CG-CB 4.45Å; K219-A221 PolarHBondContact O-N 3.48Å
220	W	91.4	Very high	85.4	Confident	1 Å²	1	30.8 Å²	30.8	0%	0.004	16%	0.162	C	C	.	.			trans	-43.2	127	-171.8	-61.2	113.2	0	0	0	115.1	L195 L198 L215 N218 L226 L229 V245 N248 S249	L195-W220 HydrophobicContact CB-CH2 3.64Å; L195-W220 HydrophobicContact CB-CZ2 4.15Å; L195-W220 HydrophobicContact CB-CZ3 3.87Å; L195-W220 HydrophobicContact CD1-CH2 3.89Å; L195-W220 HydrophobicContact CD1-CZ2 4.32Å; L195-W220 HydrophobicContact CG-CH2 4.42Å; L195-W220 PolarHBondContact O-N 3.08Å; L198-W220 HydrophobicContact CD1-CH2 3.88Å; L198-W220 HydrophobicContact CD1-CZ3 4.38Å; L198-W220 HydrophobicContact CD2-CH2 4.4Å; L198-W220 HydrophobicContact CG-CH2 3.77Å; L198-W220 HydrophobicContact CG-CZ3 3.9Å; L215-W220 HydrophobicContact CB-CZ2 3.92Å; L215-W220 HydrophobicContact CD2-CH2 4.26Å; L215-W220 HydrophobicContact CD2-CZ2 4Å; L215-W220 HydrophobicContact CG-CZ2 4.4Å; L215-W220 PolarHBondContact O-NE1 3.46Å; N218-W220 VanDerWaalsContact C-N 3.3Å; N218-W220 HydrophobicContact CB-CD2 4.29Å; N218-W220 HydrophobicContact CB-CG 4.44Å; N218-W220 HydrophobicContact CB-CZ2 3.9Å; N218-W220 PolarHBondContact O-N 2.96Å; W220-L226 HydrophobicContact CB-CD2 4.2Å; W220-L226 HydrophobicContact CE3-CD1 3.85Å; W220-L226 HydrophobicContact CZ3-CD1 4.31Å; W220-L229 HydrophobicContact CE3-CD2 4.49Å; W220-L229 HydrophobicContact CZ3-CD2 4.26Å; W220-V245 HydrophobicContact CB-CG1 4.18Å; W220-V245 HydrophobicContact CD2-CG1 3.83Å; W220-V245 HydrophobicContact CG-CG1 3.6Å; W220-N248 PolarHBondContact O-N 3Å; W220-S249 PolarHBondContact O-N 3.07Å; W220-S249 VanDerWaalsContact O-N 3.13Å
221	A	88.9	Confident	85.6	Confident	13 Å²	13	33 Å²	33	11%	0.107	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-98.6	96	177.1	0	0	0	0	0	109.9	Q196 K219 N223 L226 S249	Q196-A221 HydrophobicContact CB-CB 4.23Å; Q196-A221 PolarHBondContact O-N 2.86Å; K219-A221 PolarHBondContact O-N 3.48Å; A221-N223 PolarHBondContact O-N 2.75Å; A221-N223 PolarHBondContact O-OD1 3.13Å; A221-L226 WeakPolarHBondContact O-CB 3.37Å; A221-S249 WeakPolarHBondContact CA-OG 3.42Å
222	C	88.6	Confident	86.1	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.007	17%	0.17	C	C	.	.			trans	-79.5	66.3	-177.2	-67.4	0	0	0	0	112	L226 C247 S249 P250 F253 L261	C222-L226 HydrophobicContact CB-CD2 4.34Å; C222-L226 VanDerWaalsContact SG-CD2 3.53Å; C222-C247 HydrophobicContact CB-CB 3.77Å; C222-C247 WeakPolarHBondContact CB-SG 3.23Å; C222-C247 VanDerWaalsContact SG-CA 3.52Å; C222-C247 WeakPolarHBondContact SG-CB 3.15Å; C222-C247 CovalentContact SG-SG 2.01Å; C222-C247 PolarHBondContact SG-SG 3.11Å; C222-S249 PolarHBondContact N-O 2.96Å; C222-P250 WeakPolarHBondContact O-CD 3.49Å; C222-F253 HydrophobicContact CB-CD2 4.5Å; C222-L261 HydrophobicContact CB-CD1 4.21Å
223	N	86.9	Confident	86.4	Confident	60 Å²	60	33.8 Å²	33.8	32%	0.321	18%	0.178	S	C	.	.	S	Bend	trans	-111.6	-170.5	172.9	73.4	-5.2	0	0	0	110.5	A221 D225 L226 I266	A221-N223 PolarHBondContact O-N 2.75Å; A221-N223 PolarHBondContact O-OD1 3.13Å; N223-D225 PolarHBondContact ND2-OD2 3.39Å; N223-D225 PolarHBondContact O-N 3.23Å; N223-D225 VanDerWaalsContact O-N 3.13Å; N223-D225 WeakPolarHBondContact OD1-CB 3.49Å; N223-D225 PolarHBondContact OD1-N 2.85Å; N223-D225 PolarHBondContact OD1-OD2 3.45Å; N223-L226 PolarHBondContact O-N 2.72Å; N223-I266 VanDerWaalsContact C-CG2 3.45Å; N223-I266 WeakPolarHBondContact O-CG2 3.4Å
224	C	85.9	Confident	86.2	Confident	60 Å²	60	38.1 Å²	38.1	41%	0.405	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-53.1	-30.1	177.1	-68.3	0	0	0	0	115.2	L227 C267	C224-L227 WeakPolarHBondContact O-CB 3.39Å; C224-L227 PolarHBondContact O-N 2.78Å; C224-C267 HydrophobicContact CB-CB 3.85Å; C224-C267 WeakPolarHBondContact CB-SG 3.48Å; C224-C267 WeakPolarHBondContact SG-CA 3.26Å; C224-C267 WeakPolarHBondContact SG-CB 3.3Å; C224-C267 CovalentContact SG-SG 2.04Å; C224-C267 PolarHBondContact SG-SG 3.22Å
225	D	84.4	Confident	86.1	Confident	99 Å²	99	44.3 Å²	44.3	53%	0.529	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-70.3	-38.2	-175.9	-49.6	-44.9	0	0	0	110.8	N223 L227	N223-D225 PolarHBondContact ND2-OD2 3.39Å; N223-D225 PolarHBondContact O-N 3.23Å; N223-D225 VanDerWaalsContact O-N 3.13Å; N223-D225 WeakPolarHBondContact OD1-CB 3.49Å; N223-D225 PolarHBondContact OD1-N 2.85Å; N223-D225 PolarHBondContact OD1-OD2 3.45Å; D225-L227 PolarHBondContact O-N 2.96Å
226	L	87.6	Confident	85.4	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-75.2	-5.9	178.6	-148.7	70.2	0	0	0	113.6	W220 A221 C222 N223 Q228 L229 K230 V245 L258	W220-L226 HydrophobicContact CB-CD2 4.2Å; W220-L226 HydrophobicContact CE3-CD1 3.85Å; W220-L226 HydrophobicContact CZ3-CD1 4.31Å; A221-L226 WeakPolarHBondContact O-CB 3.37Å; C222-L226 HydrophobicContact CB-CD2 4.34Å; C222-L226 VanDerWaalsContact SG-CD2 3.53Å; N223-L226 PolarHBondContact O-N 2.72Å; L226-Q228 PolarHBondContact O-N 2.94Å; L226-L229 HydrophobicContact CD1-CB 4.2Å; L226-L229 HydrophobicContact CD1-CD2 3.7Å; L226-L229 HydrophobicContact CG-CB 4.34Å; L226-L229 HydrophobicContact CG-CD2 4.2Å; L226-L229 PolarHBondContact O-N 3.08Å; L226-K230 PolarHBondContact O-N 3.49Å; L226-V245 HydrophobicContact CD2-CG1 4.34Å; L226-L258 HydrophobicContact CD2-CD1 4.08Å; L226-L258 HydrophobicContact CD2-CD2 3.72Å; L226-L258 HydrophobicContact CD2-CG 4.46Å; L226-L258 HydrophobicContact CG-CD1 4.49Å; L226-L258 HydrophobicContact CG-CD2 3.81Å
227	L	85.7	Confident	84.7	Confident	41 Å²	41	47.3 Å²	47.3	22%	0.215	25%	0.249	C	C	.	.	H	α-helix	trans	-62.3	-29.5	176.7	-177.1	60.5	0	0	0	112.5	C224 D225 T231 K263 C267	C224-L227 WeakPolarHBondContact O-CB 3.39Å; C224-L227 PolarHBondContact O-N 2.78Å; D225-L227 PolarHBondContact O-N 2.96Å; L227-T231 WeakPolarHBondContact O-CB 3.34Å; L227-T231 PolarHBondContact O-N 3.26Å; L227-T231 PolarHBondContact O-OG1 3.41Å; L227-K263 HydrophobicContact CD1-CB 3.76Å; L227-K263 HydrophobicContact CD1-CD 3.99Å; L227-K263 HydrophobicContact CD1-CG 3.72Å; L227-C267 HydrophobicContact CD2-CB 3.96Å
228	Q	85.9	Confident	83.4	Confident	102 Å²	102	46.7 Å²	46.7	48%	0.477	25%	0.252	S	S	.	.	H	α-helix	trans	-74.8	-42.3	177	-55.1	-155.2	49.3	0	0	111.5	L226 K230 T231 W232	L226-Q228 PolarHBondContact O-N 2.94Å; Q228-K230 VanDerWaalsContact C-N 3.34Å; Q228-K230 PolarHBondContact O-N 2.98Å; Q228-T231 PolarHBondContact O-N 2.97Å; Q228-T231 VanDerWaalsContact O-N 3.17Å; Q228-W232 WeakPolarHBondContact O-CB 3.4Å; Q228-W232 PolarHBondContact O-N 2.86Å
229	L	87.8	Confident	81.9	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-57	-47.7	170	178.9	62.6	0	0	0	110.8	L198 L204 W220 L226 T231 W232 L233 V245 L258	L198-L229 HydrophobicContact CB-CD1 4.44Å; L198-L229 HydrophobicContact CB-CD2 4.46Å; L198-L229 HydrophobicContact CD1-CD1 4.04Å; L198-L229 HydrophobicContact CD1-CD2 4.24Å; L204-L229 HydrophobicContact CD1-CB 4.22Å; L204-L229 HydrophobicContact CD1-CD1 3.96Å; L204-L229 HydrophobicContact CD2-CD1 3.83Å; W220-L229 HydrophobicContact CE3-CD2 4.49Å; W220-L229 HydrophobicContact CZ3-CD2 4.26Å; L226-L229 HydrophobicContact CD1-CB 4.2Å; L226-L229 HydrophobicContact CD1-CD2 3.7Å; L226-L229 HydrophobicContact CG-CB 4.34Å; L226-L229 HydrophobicContact CG-CD2 4.2Å; L226-L229 PolarHBondContact O-N 3.08Å; L229-T231 VanDerWaalsContact C-N 3.31Å; L229-T231 PolarHBondContact O-N 3.18Å; L229-W232 HydrophobicContact CD1-CE3 4.08Å; L229-W232 WeakPolarHBondContact O-CB 3.46Å; L229-W232 PolarHBondContact O-N 3.04Å; L229-W232 VanDerWaalsContact O-N 3.16Å; L229-L233 HydrophobicContact CD1-CG 4.27Å; L229-L233 HydrophobicContact CG-CD1 4.13Å; L229-L233 HydrophobicContact CG-CG 4.35Å; L229-L233 VanDerWaalsContact O-CG 3.25Å; L229-L233 WeakPolarHBondContact O-CG 3.25Å; L229-L233 PolarHBondContact O-N 2.76Å; L229-V245 HydrophobicContact CD2-CG1 4.37Å; L229-V245 HydrophobicContact CD2-CG2 4.33Å; L229-L258 HydrophobicContact CD2-CD2 4.31Å; L229-L258 HydrophobicContact CG-CD2 4.35Å
230	K	85.3	Confident	80.8	Confident	5 Å²	5	42.2 Å²	42.2	2%	0.022	23%	0.232	C	C	.	.	H	α-helix	trans	-54.1	-45.8	174.3	177.3	168.9	174.5	56.4	0	112.9	L226 Q228 W232 L233 E234 L258 S259 L261 K263 I266	L226-K230 PolarHBondContact O-N 3.49Å; Q228-K230 VanDerWaalsContact C-N 3.34Å; Q228-K230 PolarHBondContact O-N 2.98Å; K230-W232 VanDerWaalsContact C-N 3.34Å; K230-L233 PolarHBondContact O-N 3.12Å; K230-E234 WeakPolarHBondContact CE-OE1 3.09Å; K230-E234 WeakPolarHBondContact CG-OE1 3.41Å; K230-E234 IonicContact NZ-OE1 2.87Å; K230-E234 PolarHBondContact NZ-OE1 2.91Å; K230-E234 VanDerWaalsContact O-CG 3.28Å; K230-E234 WeakPolarHBondContact O-CG 3.43Å; K230-E234 PolarHBondContact O-N 2.92Å; K230-E234 VanDerWaalsContact O-N 3.1Å; K230-L258 HydrophobicContact CB-CD1 4.04Å; K230-L258 HydrophobicContact CB-CD2 3.97Å; K230-L258 HydrophobicContact CB-CG 3.87Å; K230-L258 HydrophobicContact CD-CD1 4.08Å; K230-L258 HydrophobicContact CD-CG 4.34Å; K230-L258 HydrophobicContact CG-CD1 4.47Å; K230-L258 HydrophobicContact CG-CG 4.29Å; K230-L258 PolarHBondContact NZ-O 2.89Å; K230-S259 PolarHBondContact NZ-O 2.96Å; K230-L261 WeakPolarHBondContact CE-O 3.48Å; K230-L261 PolarHBondContact NZ-O 3.11Å; K230-K263 HydrophobicContact CD-CG 4.39Å; K230-I266 HydrophobicContact CD-CD1 3.3Å
231	T	85.3	Confident	79.7	Confident	47 Å²	47	42.3 Å²	42.3	29%	0.288	23%	0.233	S	C	.	.	H	α-helix	trans	-72.3	-29.7	-178.2	-58.4	0	0	0	0	112	L227 Q228 L229 N235 K263	L227-T231 WeakPolarHBondContact O-CB 3.34Å; L227-T231 PolarHBondContact O-N 3.26Å; L227-T231 PolarHBondContact O-OG1 3.41Å; Q228-T231 PolarHBondContact O-N 2.97Å; Q228-T231 VanDerWaalsContact O-N 3.17Å; L229-T231 VanDerWaalsContact C-N 3.31Å; L229-T231 PolarHBondContact O-N 3.18Å; T231-N235 PolarHBondContact O-N 2.78Å; T231-N235 PolarHBondContact O-ND2 3.29Å; T231-K263 PolarHBondContact OG1-NZ 3.45Å
232	W	86.6	Confident	79.3	Confident	19 Å²	19	42.9 Å²	42.9	7%	0.072	23%	0.234	C	C	.	.	H	α-helix	trans	-68.1	-52	170.7	-178.1	88.3	0	0	0	110.9	L204 I207 I210 L213 Q228 L229 K230 E234 N235 M236 I242	L204-W232 HydrophobicContact CB-CD2 4.19Å; L204-W232 HydrophobicContact CB-CG 3.97Å; L204-W232 HydrophobicContact CD1-CB 4.01Å; L204-W232 HydrophobicContact CD1-CD2 4.4Å; L204-W232 HydrophobicContact CD1-CG 4.1Å; L204-W232 HydrophobicContact CD2-CD2 3.75Å; L204-W232 HydrophobicContact CD2-CE3 3.84Å; L204-W232 HydrophobicContact CD2-CG 4.26Å; L204-W232 HydrophobicContact CD2-CH2 4.28Å; L204-W232 HydrophobicContact CD2-CZ2 4.18Å; L204-W232 HydrophobicContact CD2-CZ3 4.09Å; L204-W232 HydrophobicContact CG-CD2 4.33Å; L204-W232 HydrophobicContact CG-CG 4.33Å; L204-W232 PolarHBondContact O-NE1 2.97Å; I207-W232 HydrophobicContact CD1-CH2 3.88Å; I207-W232 HydrophobicContact CD1-CZ2 3.88Å; I207-W232 HydrophobicContact CG1-CH2 4.33Å; I207-W232 HydrophobicContact CG1-CZ2 3.82Å; I210-W232 HydrophobicContact CG2-CH2 4.35Å; L213-W232 HydrophobicContact CD2-CH2 3.43Å; L213-W232 VanDerWaalsContact CD2-CH2 3.43Å; L213-W232 HydrophobicContact CD2-CZ3 3.61Å; Q228-W232 WeakPolarHBondContact O-CB 3.4Å; Q228-W232 PolarHBondContact O-N 2.86Å; L229-W232 HydrophobicContact CD1-CE3 4.08Å; L229-W232 WeakPolarHBondContact O-CB 3.46Å; L229-W232 PolarHBondContact O-N 3.04Å; L229-W232 VanDerWaalsContact O-N 3.16Å; K230-W232 VanDerWaalsContact C-N 3.34Å; W232-E234 PolarHBondContact O-N 3.12Å; W232-N235 CarbonylContact O-C 3.15Å; W232-N235 WeakPolarHBondContact O-CA 3.48Å; W232-N235 PolarHBondContact O-N 3.31Å; W232-M236 HydrophobicContact CD2-CG 3.8Å; W232-M236 HydrophobicContact CD2-SD 3.94Å; W232-M236 HydrophobicContact CE3-CG 3.77Å; W232-M236 HydrophobicContact CE3-SD 4.36Å; W232-M236 HydrophobicContact CH2-CE 3.64Å; W232-M236 HydrophobicContact CH2-CG 3.92Å; W232-M236 HydrophobicContact CH2-SD 3.8Å; W232-M236 HydrophobicContact CZ2-CE 3.52Å; W232-M236 HydrophobicContact CZ2-CG 3.97Å; W232-M236 HydrophobicContact CZ2-SD 3.32Å; W232-M236 WeakPolarHBondContact CZ2-SD 3.11Å; W232-M236 HydrophobicContact CZ3-CE 4.45Å; W232-M236 HydrophobicContact CZ3-CG 3.83Å; W232-M236 HydrophobicContact CZ3-SD 4.3Å; W232-M236 WeakPolarHBondContact O-CG 3.19Å; W232-M236 PolarHBondContact O-N 2.74Å; W232-I242 HydrophobicContact CH2-CG1 4.28Å; W232-I242 HydrophobicContact CZ3-CG1 3.96Å; W232-I242 HydrophobicContact CZ3-CG2 4.28Å
233	L	83.8	Confident	78.3	Confident	35 Å²	35	43 Å²	43	18%	0.183	24%	0.236	C	C	.	.	H	α-helix	trans	-51.2	-40.7	175.6	-69.1	171.1	0	0	0	113.3	L229 K230 N235 I242 V245 L258	L229-L233 HydrophobicContact CD1-CG 4.27Å; L229-L233 HydrophobicContact CG-CD1 4.13Å; L229-L233 HydrophobicContact CG-CG 4.35Å; L229-L233 VanDerWaalsContact O-CG 3.25Å; L229-L233 WeakPolarHBondContact O-CG 3.25Å; L229-L233 PolarHBondContact O-N 2.76Å; K230-L233 PolarHBondContact O-N 3.12Å; L233-N235 VanDerWaalsContact C-N 3.3Å; L233-N235 PolarHBondContact O-N 3Å; L233-I242 HydrophobicContact CD2-CB 3.56Å; L233-I242 HydrophobicContact CD2-CG1 4.02Å; L233-I242 HydrophobicContact CD2-CG2 3.21Å; L233-V245 HydrophobicContact CD1-CG2 4.08Å; L233-L258 HydrophobicContact CD1-CD2 4.04Å
234	E	81.8	Confident	77.9	Confident	90 Å²	90	42 Å²	42	42%	0.421	23%	0.23	S	C	.	.	H	α-helix	trans	-69.1	-25.5	178.7	-75	166.7	-172.9	0	0	113.8	K230 W232 K263	K230-E234 WeakPolarHBondContact CE-OE1 3.09Å; K230-E234 WeakPolarHBondContact CG-OE1 3.41Å; K230-E234 IonicContact NZ-OE1 2.87Å; K230-E234 PolarHBondContact NZ-OE1 2.91Å; K230-E234 VanDerWaalsContact O-CG 3.28Å; K230-E234 WeakPolarHBondContact O-CG 3.43Å; K230-E234 PolarHBondContact O-N 2.92Å; K230-E234 VanDerWaalsContact O-N 3.1Å; W232-E234 PolarHBondContact O-N 3.12Å; E234-K263 WeakPolarHBondContact OE2-CE 3.27Å; E234-K263 IonicContact OE2-NZ 3.7Å; E234-K263 PolarHBondContact OE2-NZ 2.95Å
235	N	81.1	Confident	77.9	Confident	131 Å²	131	39.3 Å²	39.3	70%	0.701	21%	0.212	S	C	*	.	H	α-helix	trans	-101.4	-6.8	179.4	-73.4	-66	0	0	0	113.5	T231 W232 L233	T231-N235 PolarHBondContact O-N 2.78Å; T231-N235 PolarHBondContact O-ND2 3.29Å; W232-N235 CarbonylContact O-C 3.15Å; W232-N235 WeakPolarHBondContact O-CA 3.48Å; W232-N235 PolarHBondContact O-N 3.31Å; L233-N235 VanDerWaalsContact C-N 3.3Å; L233-N235 PolarHBondContact O-N 3Å
236	M	74.1	Confident	77.8	Confident	23 Å²	23	37.5 Å²	37.5	11%	0.113	20%	0.204	C	C	.	.	S	Bend	trans	-62	148.6	178.4	-79.9	-59.2	-79.6	0	0	111.2	I210 W232 S240 I242	I210-M236 HydrophobicContact CG2-CE 3.99Å; W232-M236 HydrophobicContact CD2-CG 3.8Å; W232-M236 HydrophobicContact CD2-SD 3.94Å; W232-M236 HydrophobicContact CE3-CG 3.77Å; W232-M236 HydrophobicContact CE3-SD 4.36Å; W232-M236 HydrophobicContact CH2-CE 3.64Å; W232-M236 HydrophobicContact CH2-CG 3.92Å; W232-M236 HydrophobicContact CH2-SD 3.8Å; W232-M236 HydrophobicContact CZ2-CE 3.52Å; W232-M236 HydrophobicContact CZ2-CG 3.97Å; W232-M236 HydrophobicContact CZ2-SD 3.32Å; W232-M236 WeakPolarHBondContact CZ2-SD 3.11Å; W232-M236 HydrophobicContact CZ3-CE 4.45Å; W232-M236 HydrophobicContact CZ3-CG 3.83Å; W232-M236 HydrophobicContact CZ3-SD 4.3Å; W232-M236 WeakPolarHBondContact O-CG 3.19Å; W232-M236 PolarHBondContact O-N 2.74Å; M236-S240 VanDerWaalsContact CE-OG 3.31Å; M236-S240 WeakPolarHBondContact CE-OG 3.27Å; M236-I242 HydrophobicContact CB-CD1 3.56Å; M236-I242 HydrophobicContact CE-CD1 4.39Å; M236-I242 HydrophobicContact CG-CD1 3.81Å; M236-I242 HydrophobicContact CG-CG1 4.37Å
237	P	67.8	Low	77.7	Confident	45 Å²	45	37.6 Å²	37.6	29%	0.292	21%	0.205	S	C	.	.			trans	-66.2	160.9	-174.5	-15.9	30.4	0	0	0	111.5	Q239	P237-Q239 VanDerWaalsContact CB-CD 3.47Å; P237-Q239 HydrophobicContact CB-CG 3.58Å; P237-Q239 HydrophobicContact CG-CG 4.31Å; P237-Q239 PolarHBondContact O-N 2.86Å
238	P	53.6	Low	77.6	Confident	97 Å²	97	38.1 Å²	38.1	63%	0.63	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	33.2	160.9	35.3	-38.9	0	0	0	112.8	F821 E822 L823	P238-F821 CarbonylContact O-C 3.14Å; P238-E822 CarbonylContact O-C 3.08Å; P238-E822 PolarHBondContact O-N 2.87Å; P238-L823 CarbonylContact C-O 3.08Å
239	Q	58.8	Low	77.3	Confident	11 Å²	11	35.2 Å²	35.2	5%	0.051	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.2	43.6	173.5	52.7	-91.7	81.8	0	0	115.7	P237 Y820 F821 E822 L823	P237-Q239 VanDerWaalsContact CB-CD 3.47Å; P237-Q239 HydrophobicContact CB-CG 3.58Å; P237-Q239 HydrophobicContact CG-CG 4.31Å; P237-Q239 PolarHBondContact O-N 2.86Å; Q239-Y820 HydrophobicContact CG-CD1 4.2Å; Q239-Y820 HydrophobicContact CG-CE1 3.82Å; Q239-Y820 VanDerWaalsContact NE2-CG 3.31Å; Q239-Y820 PolarHBondContact NE2-O 3.4Å; Q239-F821 HydrophobicContact CB-CB 3.36Å; Q239-F821 VanDerWaalsContact CD-O 3.29Å; Q239-F821 HydrophobicContact CG-CB 3.92Å; Q239-F821 PolarHBondContact NE2-O 2.87Å; Q239-F821 PolarHBondContact OE1-O 3Å; Q239-E822 WeakPolarHBondContact CA-O 3.18Å; Q239-E822 WeakPolarHBondContact CB-O 3.35Å; Q239-L823 CarbonylContact C-O 3.43Å; Q239-L823 WeakPolarHBondContact CA-O 3.39Å; Q239-L823 HydrophobicContact CB-CB 4.34Å; Q239-L823 HydrophobicContact CB-CD1 4.2Å; Q239-L823 PolarHBondContact N-O 3.44Å; Q239-L823 VanDerWaalsContact N-O 3.11Å
240	S	66.7	Low	76.9	Confident	6 Å²	6	37.7 Å²	37.7	4%	0.042	22%	0.215	C	C	.	.			trans	-148.1	136.1	173.5	-53.1	0	0	0	0	110.8	I210 L211 M236 I242 L823 K824	I210-S240 WeakPolarHBondContact O-CB 3.34Å; I210-S240 PolarHBondContact O-OG 2.71Å; L211-S240 CarbonylContact O-C 3.59Å; L211-S240 WeakPolarHBondContact O-CA 3.46Å; M236-S240 VanDerWaalsContact CE-OG 3.31Å; M236-S240 WeakPolarHBondContact CE-OG 3.27Å; S240-I242 VanDerWaalsContact CB-CD1 3.5Å; S240-I242 PolarHBondContact O-N 2.84Å; S240-L823 PolarHBondContact N-O 3.49Å; S240-L823 VanDerWaalsContact N-O 3.15Å; S240-K824 VanDerWaalsContact C-CB 3.46Å; S240-K824 CarbonylContact O-C 3.06Å; S240-K824 PolarHBondContact O-N 3.3Å
241	I	67.8	Low	76.3	Confident	4 Å²	4	43.2 Å²	43.2	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	123.5	151.1	-97.6	141.7	0	0	0	98.8	L211 D212 L213 K824 A825 N826	L211-I241 PolarHBondContact O-N 3.15Å; D212-I241 VanDerWaalsContact OD1-CB 3.27Å; D212-I241 WeakPolarHBondContact OD1-CB 3.24Å; D212-I241 WeakPolarHBondContact OD1-CD1 3.42Å; D212-I241 VanDerWaalsContact OD1-CG2 3.28Å; D212-I241 WeakPolarHBondContact OD1-CG2 3.36Å; D212-I241 WeakPolarHBondContact OD2-CD1 3.39Å; L213-I241 WeakPolarHBondContact CB-O 3.42Å; L213-I241 PolarHBondContact N-O 3Å; I241-K824 VanDerWaalsContact CA-CB 3.41Å; I241-K824 HydrophobicContact CB-CB 3.71Å; I241-K824 HydrophobicContact CB-CD 3.87Å; I241-K824 HydrophobicContact CB-CG 4.12Å; I241-K824 HydrophobicContact CD1-CB 4.05Å; I241-K824 HydrophobicContact CD1-CD 3.46Å; I241-K824 VanDerWaalsContact CD1-CD 3.46Å; I241-K824 HydrophobicContact CD1-CG 3.54Å; I241-K824 HydrophobicContact CG1-CB 3.46Å; I241-K824 VanDerWaalsContact CG1-CB 3.46Å; I241-K824 HydrophobicContact CG1-CD 3.74Å; I241-K824 HydrophobicContact CG1-CG 3.58Å; I241-A825 VanDerWaalsContact CG1-CA 3.44Å; I241-A825 VanDerWaalsContact CG1-N 3.34Å; I241-N826 HydrophobicContact CD1-CB 4.02Å; I241-N826 WeakPolarHBondContact CD1-OD1 3.34Å; I241-N826 HydrophobicContact CG1-CB 3.91Å; I241-N826 HydrophobicContact CG2-CB 4.37Å
242	I	79.1	Confident	75.9	Confident	24 Å²	24	50.4 Å²	50.4	12%	0.123	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	133.3	142.4	-43.5	89	0	0	0	107.3	L213 L215 W232 L233 M236 S240	L213-I242 HydrophobicContact CB-CG1 4.38Å; L213-I242 HydrophobicContact CB-CG2 4.11Å; L213-I242 HydrophobicContact CD2-CG1 4.41Å; L213-I242 HydrophobicContact CD2-CG2 3.76Å; L213-I242 HydrophobicContact CG-CG2 3.95Å; L213-I242 CarbonylContact O-C 3.59Å; L213-I242 WeakPolarHBondContact O-CA 3.34Å; L215-I242 HydrophobicContact CD1-CG2 3.48Å; L215-I242 VanDerWaalsContact CD1-CG2 3.48Å; L215-I242 HydrophobicContact CG-CG2 4.24Å; W232-I242 HydrophobicContact CH2-CG1 4.28Å; W232-I242 HydrophobicContact CZ3-CG1 3.96Å; W232-I242 HydrophobicContact CZ3-CG2 4.28Å; L233-I242 HydrophobicContact CD2-CB 3.56Å; L233-I242 HydrophobicContact CD2-CG1 4.02Å; L233-I242 HydrophobicContact CD2-CG2 3.21Å; M236-I242 HydrophobicContact CB-CD1 3.56Å; M236-I242 HydrophobicContact CE-CD1 4.39Å; M236-I242 HydrophobicContact CG-CD1 3.81Å; M236-I242 HydrophobicContact CG-CG1 4.37Å; S240-I242 VanDerWaalsContact CB-CD1 3.5Å; S240-I242 PolarHBondContact O-N 2.84Å
243	G	69.3	Low	75.4	Confident	4 Å²	4	51.3 Å²	51.3	4%	0.041	28%	0.284	C	S	.	.			trans	-61.8	158.2	-177.5	0	0	0	0	0	114.3	L213 E216 V245	L213-G243 PolarHBondContact O-N 2.84Å; E216-G243 VanDerWaalsContact OE1-C 3.26Å; E216-G243 WeakPolarHBondContact OE1-CA 3.35Å; G243-V245 PolarHBondContact O-N 2.95Å
244	D	77	Confident	74.8	Confident	40 Å²	40	56 Å²	56	21%	0.214	30%	0.303	C	S	.	.			trans	-76.7	97.7	-178.8	-124.5	13.6	0	0	0	109	E216 V246 V257 R260 Q348 L827	E216-D244 PolarHBondContact OE1-N 3.46Å; D244-V246 WeakPolarHBondContact O-CG2 3.31Å; D244-V246 PolarHBondContact O-N 3.47Å; D244-V257 HydrophobicContact CB-CG1 4.37Å; D244-V257 VanDerWaalsContact OD1-CG1 3.27Å; D244-V257 WeakPolarHBondContact OD1-CG1 3.15Å; D244-R260 IonicContact OD2-NH2 3.21Å; D244-Q348 PolarHBondContact OD2-NE2 2.93Å; D244-L827 HydrophobicContact CB-CD1 4.05Å
245	V	85.8	Confident	74.3	Confident	3 Å²	3	54 Å²	54	2%	0.018	31%	0.306	C	S	.	.			trans	-69.7	93.4	-178.8	177.8	0	0	0	0	110.1	L215 W220 L226 L229 L233 G243 V257 L258	L215-V245 HydrophobicContact CB-CG2 4.04Å; L215-V245 HydrophobicContact CD1-CG2 3.59Å; L215-V245 HydrophobicContact CG-CG2 4.48Å; W220-V245 HydrophobicContact CB-CG1 4.18Å; W220-V245 HydrophobicContact CD2-CG1 3.83Å; W220-V245 HydrophobicContact CG-CG1 3.6Å; L226-V245 HydrophobicContact CD2-CG1 4.34Å; L229-V245 HydrophobicContact CD2-CG1 4.37Å; L229-V245 HydrophobicContact CD2-CG2 4.33Å; L233-V245 HydrophobicContact CD1-CG2 4.08Å; G243-V245 PolarHBondContact O-N 2.95Å; V245-V257 WeakPolarHBondContact O-CA 3.45Å; V245-L258 HydrophobicContact CB-CB 3.99Å; V245-L258 HydrophobicContact CB-CD2 4.25Å; V245-L258 HydrophobicContact CG1-CB 3.87Å; V245-L258 HydrophobicContact CG1-CD2 3.73Å; V245-L258 HydrophobicContact CG1-CG 4.45Å; V245-L258 WeakPolarHBondContact O-CB 3.43Å; V245-L258 PolarHBondContact O-N 3.33Å
246	V	83.4	Confident	73.9	Confident	60 Å²	60	49.6 Å²	49.6	36%	0.364	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-84.4	119.6	177.8	-174.2	0	0	0	0	110.9	D244 N248 V257	D244-V246 WeakPolarHBondContact O-CG2 3.31Å; D244-V246 PolarHBondContact O-N 3.47Å; V246-N248 PolarHBondContact O-N 2.99Å; V246-V257 HydrophobicContact CG2-CG2 4.36Å
247	C	85.1	Confident	74.1	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.014	28%	0.28	C	S	.	.			trans	-63.5	129.4	176.6	-59.3	0	0	0	0	112	C222 F253 K254 G255 S256 L261	C222-C247 HydrophobicContact CB-CB 3.77Å; C222-C247 WeakPolarHBondContact CB-SG 3.23Å; C222-C247 VanDerWaalsContact SG-CA 3.52Å; C222-C247 WeakPolarHBondContact SG-CB 3.15Å; C222-C247 CovalentContact SG-SG 2.01Å; C222-C247 PolarHBondContact SG-SG 3.11Å; C247-F253 HydrophobicContact CB-CB 4.24Å; C247-F253 VanDerWaalsContact CB-O 3.22Å; C247-F253 WeakPolarHBondContact CB-O 3.23Å; C247-K254 CarbonylContact O-C 3.12Å; C247-K254 WeakPolarHBondContact O-CA 3.26Å; C247-G255 PolarHBondContact O-N 3.23Å; C247-S256 VanDerWaalsContact CB-O 3.28Å; C247-S256 WeakPolarHBondContact CB-O 3.5Å; C247-S256 PolarHBondContact N-O 2.84Å; C247-S256 PolarHBondContact SG-O 3.47Å; C247-L261 VanDerWaalsContact SG-CD1 3.55Å
248	N	84.6	Confident	74.8	Confident	53 Å²	53	46.5 Å²	46.5	28%	0.283	27%	0.266	S	S	.	.			trans	-98.8	-32	169.5	172.5	50.1	0	0	0	112.1	W220 V246 K254	W220-N248 PolarHBondContact O-N 3Å; V246-N248 PolarHBondContact O-N 2.99Å; N248-K254 WeakPolarHBondContact O-CD 3.41Å; N248-K254 WeakPolarHBondContact O-CG 3.46Å; N248-K254 PolarHBondContact OD1-NZ 2.77Å
249	S	78.5	Confident	76	Confident	41 Å²	41	45.1 Å²	45.1	29%	0.287	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-138.4	161.1	175.5	75.8	0	0	0	0	111.3	W220 A221 C222	W220-S249 PolarHBondContact O-N 3.07Å; W220-S249 VanDerWaalsContact O-N 3.13Å; A221-S249 WeakPolarHBondContact CA-OG 3.42Å; C222-S249 PolarHBondContact N-O 2.96Å
250	P	79	Confident	76.8	Confident	52 Å²	52	49.2 Å²	49.2	34%	0.338	27%	0.274	S	S	.	.	S	Bend	cis	-64.4	165	-11.3	30.3	-37.2	0	0	0	112.3	C222 F252 F253 K254	C222-P250 WeakPolarHBondContact O-CD 3.49Å; P250-F252 PolarHBondContact O-N 3.15Å; P250-F253 HydrophobicContact CG-CD2 3.81Å; P250-F253 HydrophobicContact CG-CE2 4.4Å; P250-F253 PolarHBondContact O-N 3.18Å; P250-K254 PolarHBondContact O-N 2.88Å
251	P	74.4	Confident	77.3	Confident	120 Å²	120	50.1 Å²	50.1	78%	0.779	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-55.2	-28.5	-174.4	-28.5	36	0	0	0	115.1	F253 K254	P251-F253 VanDerWaalsContact C-N 3.26Å; P251-F253 PolarHBondContact O-N 3.01Å; P251-K254 PolarHBondContact O-N 3.17Å
252	F	74.9	Confident	77.9	Confident	198 Å²	198	57 Å²	57	87%	0.868	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-70.2	-17.3	178	-124.7	-82.1	0	0	0	114.4	P250	P250-F252 PolarHBondContact O-N 3.15Å
253	F	77.8	Confident	78	Confident	39 Å²	39	58.9 Å²	58.9	17%	0.171	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-113	1.8	174.1	-61.6	-41.9	0	0	0	112.8	C222 C247 P250 P251 G255 S256 L261 S265	C222-F253 HydrophobicContact CB-CD2 4.5Å; C247-F253 HydrophobicContact CB-CB 4.24Å; C247-F253 VanDerWaalsContact CB-O 3.22Å; C247-F253 WeakPolarHBondContact CB-O 3.23Å; P250-F253 HydrophobicContact CG-CD2 3.81Å; P250-F253 HydrophobicContact CG-CE2 4.4Å; P250-F253 PolarHBondContact O-N 3.18Å; P251-F253 VanDerWaalsContact C-N 3.26Å; P251-F253 PolarHBondContact O-N 3.01Å; F253-G255 PolarHBondContact O-N 3.43Å; F253-S256 WeakPolarHBondContact O-CB 3.16Å; F253-S256 PolarHBondContact O-N 2.96Å; F253-S256 PolarHBondContact O-OG 3.08Å; F253-S256 VanDerWaalsContact O-OG 3.11Å; F253-L261 HydrophobicContact CB-CD1 4.16Å; F253-L261 HydrophobicContact CD1-CD1 4.23Å; F253-L261 HydrophobicContact CD1-CD2 3.67Å; F253-L261 HydrophobicContact CD2-CD1 4.32Å; F253-L261 HydrophobicContact CE1-CD2 4.01Å; F253-L261 HydrophobicContact CG-CD1 3.99Å; F253-L261 HydrophobicContact CG-CD2 4.28Å; F253-S265 WeakPolarHBondContact CE2-O 3.16Å; F253-S265 VanDerWaalsContact CZ-O 3.24Å; F253-S265 WeakPolarHBondContact CZ-O 3.39Å
254	K	71.2	Confident	78.4	Confident	134 Å²	134	64.5 Å²	64.5	58%	0.583	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	129.9	-178.2	-177.3	164.3	-178.4	141.4	0	111.2	C247 N248 P250 P251 S256	C247-K254 CarbonylContact O-C 3.12Å; C247-K254 WeakPolarHBondContact O-CA 3.26Å; N248-K254 WeakPolarHBondContact O-CD 3.41Å; N248-K254 WeakPolarHBondContact O-CG 3.46Å; N248-K254 PolarHBondContact OD1-NZ 2.77Å; P250-K254 PolarHBondContact O-N 2.88Å; P251-K254 PolarHBondContact O-N 3.17Å; K254-S256 VanDerWaalsContact C-N 3.29Å
255	G	69.6	Low	78.4	Confident	47 Å²	47	64.9 Å²	64.9	49%	0.485	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	1.8	-174.2	0	0	0	0	0	114.9	C247 F253	C247-G255 PolarHBondContact O-N 3.23Å; F253-G255 PolarHBondContact O-N 3.43Å
256	S	72.6	Confident	78.2	Confident	39 Å²	39	65.2 Å²	65.2	27%	0.273	35%	0.348	S	S	.	.			trans	-87.2	137.8	174.4	-57.4	0	0	0	0	111	C247 F253 K254	C247-S256 VanDerWaalsContact CB-O 3.28Å; C247-S256 WeakPolarHBondContact CB-O 3.5Å; C247-S256 PolarHBondContact N-O 2.84Å; C247-S256 PolarHBondContact SG-O 3.47Å; F253-S256 WeakPolarHBondContact O-CB 3.16Å; F253-S256 PolarHBondContact O-N 2.96Å; F253-S256 PolarHBondContact O-OG 3.08Å; F253-S256 VanDerWaalsContact O-OG 3.11Å; K254-S256 VanDerWaalsContact C-N 3.29Å
257	V	79	Confident	78.1	Confident	2 Å²	2	63.9 Å²	63.9	1%	0.012	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-80	129.8	172.5	-173.3	0	0	0	0	110.8	D244 V245 V246 S259 R260 L261	D244-V257 HydrophobicContact CB-CG1 4.37Å; D244-V257 VanDerWaalsContact OD1-CG1 3.27Å; D244-V257 WeakPolarHBondContact OD1-CG1 3.15Å; V245-V257 WeakPolarHBondContact O-CA 3.45Å; V246-V257 HydrophobicContact CG2-CG2 4.36Å; V257-S259 VanDerWaalsContact CG1-OG 3.32Å; V257-S259 WeakPolarHBondContact CG1-OG 3.28Å; V257-S259 PolarHBondContact O-N 3.24Å; V257-S259 VanDerWaalsContact O-N 3.17Å; V257-R260 HydrophobicContact CB-CG 4.15Å; V257-R260 VanDerWaalsContact CG2-NH2 3.3Å; V257-R260 WeakPolarHBondContact O-CB 3.3Å; V257-R260 PolarHBondContact O-N 3.13Å; V257-L261 PolarHBondContact O-N 3.01Å
258	L	83.2	Confident	77.5	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-33.1	-175.7	-178.5	63.2	0	0	0	114	L226 L229 K230 L233 V245 R260 L261 I266	L226-L258 HydrophobicContact CD2-CD1 4.08Å; L226-L258 HydrophobicContact CD2-CD2 3.72Å; L226-L258 HydrophobicContact CD2-CG 4.46Å; L226-L258 HydrophobicContact CG-CD1 4.49Å; L226-L258 HydrophobicContact CG-CD2 3.81Å; L229-L258 HydrophobicContact CD2-CD2 4.31Å; L229-L258 HydrophobicContact CG-CD2 4.35Å; K230-L258 HydrophobicContact CB-CD1 4.04Å; K230-L258 HydrophobicContact CB-CD2 3.97Å; K230-L258 HydrophobicContact CB-CG 3.87Å; K230-L258 HydrophobicContact CD-CD1 4.08Å; K230-L258 HydrophobicContact CD-CG 4.34Å; K230-L258 HydrophobicContact CG-CD1 4.47Å; K230-L258 HydrophobicContact CG-CG 4.29Å; K230-L258 PolarHBondContact NZ-O 2.89Å; L233-L258 HydrophobicContact CD1-CD2 4.04Å; V245-L258 HydrophobicContact CB-CB 3.99Å; V245-L258 HydrophobicContact CB-CD2 4.25Å; V245-L258 HydrophobicContact CG1-CB 3.87Å; V245-L258 HydrophobicContact CG1-CD2 3.73Å; V245-L258 HydrophobicContact CG1-CG 4.45Å; V245-L258 WeakPolarHBondContact O-CB 3.43Å; V245-L258 PolarHBondContact O-N 3.33Å; L258-R260 PolarHBondContact O-N 3.25Å; L258-L261 PolarHBondContact O-N 3.05Å; L258-I266 HydrophobicContact CD1-CD1 3.73Å
259	S	78.7	Confident	76.5	Confident	68 Å²	68	71.1 Å²	71.1	48%	0.476	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-32.7	175.3	61.9	0	0	0	0	112.4	K230 V257	K230-S259 PolarHBondContact NZ-O 2.96Å; V257-S259 VanDerWaalsContact CG1-OG 3.32Å; V257-S259 WeakPolarHBondContact CG1-OG 3.28Å; V257-S259 PolarHBondContact O-N 3.24Å; V257-S259 VanDerWaalsContact O-N 3.17Å
260	R	75.4	Confident	75.2	Confident	98 Å²	98	74.1 Å²	74.1	37%	0.37	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-21.4	-175.2	-50.1	-178.7	-161.6	159.4	12.7	113.8	D244 V257 L258 E349	D244-R260 IonicContact OD2-NH2 3.21Å; V257-R260 HydrophobicContact CB-CG 4.15Å; V257-R260 VanDerWaalsContact CG2-NH2 3.3Å; V257-R260 WeakPolarHBondContact O-CB 3.3Å; V257-R260 PolarHBondContact O-N 3.13Å; L258-R260 PolarHBondContact O-N 3.25Å; R260-E349 IonicContact CZ-OE2 2.75Å; R260-E349 IonicContact NH1-OE2 2.66Å; R260-E349 PolarHBondContact NH1-OE2 3.44Å; R260-E349 IonicContact NH2-OE1 2.7Å; R260-E349 IonicContact NH2-OE2 3.99Å; R260-E349 PolarHBondContact NH2-OE2 3.28Å
261	L	78.1	Confident	73.5	Confident	24 Å²	24	76.9 Å²	76.9	13%	0.126	43%	0.425	C	S	.	.	S	Bend	trans	-70.4	155.1	177	-68.6	-179.1	0	0	0	111.9	C222 K230 C247 F253 V257 L258 I266	C222-L261 HydrophobicContact CB-CD1 4.21Å; K230-L261 WeakPolarHBondContact CE-O 3.48Å; K230-L261 PolarHBondContact NZ-O 3.11Å; C247-L261 VanDerWaalsContact SG-CD1 3.55Å; F253-L261 HydrophobicContact CB-CD1 4.16Å; F253-L261 HydrophobicContact CD1-CD1 4.23Å; F253-L261 HydrophobicContact CD1-CD2 3.67Å; F253-L261 HydrophobicContact CD2-CD1 4.32Å; F253-L261 HydrophobicContact CE1-CD2 4.01Å; F253-L261 HydrophobicContact CG-CD1 3.99Å; F253-L261 HydrophobicContact CG-CD2 4.28Å; V257-L261 PolarHBondContact O-N 3.01Å; L258-L261 PolarHBondContact O-N 3.05Å; L261-I266 HydrophobicContact CB-CD1 3.73Å; L261-I266 HydrophobicContact CB-CG1 3.93Å; L261-I266 HydrophobicContact CD1-CD1 4.35Å; L261-I266 HydrophobicContact CD1-CG1 4.02Å
262	K	78.9	Confident	71.7	Confident	150 Å²	150	77.2 Å²	77.2	65%	0.652	43%	0.425	S	S	*	.			trans	-87.7	148.6	174.7	-74.7	-170.8	178.3	-173.9	0	111.2	E264 S265 I266	K262-E264 VanDerWaalsContact C-N 3.29Å; K262-E264 WeakPolarHBondContact CB-OE2 3.18Å; K262-E264 PolarHBondContact O-N 3.05Å; K262-S265 WeakPolarHBondContact CB-OG 3.43Å; K262-S265 PolarHBondContact N-OG 3.44Å; K262-S265 PolarHBondContact O-N 3.18Å; K262-S265 PolarHBondContact O-OG 3.31Å; K262-I266 WeakPolarHBondContact O-CD1 3.27Å; K262-I266 WeakPolarHBondContact O-CG1 3.47Å; K262-I266 PolarHBondContact O-N 3.07Å; K262-I266 VanDerWaalsContact O-N 3.13Å
263	K	80.9	Confident	69.9	Low	63 Å²	63	77.3 Å²	77.3	27%	0.274	42%	0.421	S	S	.	.	H	α-helix	trans	-63.6	-40.8	179.9	-64.2	-164.5	-178.6	-165.8	0	110.9	L227 K230 T231 E234 S265 I266 C267	L227-K263 HydrophobicContact CD1-CB 3.76Å; L227-K263 HydrophobicContact CD1-CD 3.99Å; L227-K263 HydrophobicContact CD1-CG 3.72Å; K230-K263 HydrophobicContact CD-CG 4.39Å; T231-K263 PolarHBondContact OG1-NZ 3.45Å; E234-K263 WeakPolarHBondContact OE2-CE 3.27Å; E234-K263 IonicContact OE2-NZ 3.7Å; E234-K263 PolarHBondContact OE2-NZ 2.95Å; K263-S265 VanDerWaalsContact C-N 3.27Å; K263-S265 PolarHBondContact O-N 2.93Å; K263-I266 PolarHBondContact O-N 2.99Å; K263-C267 PolarHBondContact O-N 3.18Å
264	E	77.6	Confident	67.8	Low	121 Å²	121	83.6 Å²	83.6	57%	0.565	45%	0.451	S	S	*	.	H	α-helix	trans	-72.7	-17	179.5	-44.4	72.9	-156.2	0	0	112.8	K262 P268	K262-E264 VanDerWaalsContact C-N 3.29Å; K262-E264 WeakPolarHBondContact CB-OE2 3.18Å; K262-E264 PolarHBondContact O-N 3.05Å; E264-P268 VanDerWaalsContact O-CA 3.27Å; E264-P268 WeakPolarHBondContact O-CA 3.47Å
265	S	78.6	Confident	65.9	Low	49 Å²	49	85.9 Å²	85.9	34%	0.343	46%	0.464	S	S	.	.	H	α-helix	trans	-90.1	-29.9	172.9	61	0	0	0	0	113	F253 K262 K263	F253-S265 WeakPolarHBondContact CE2-O 3.16Å; F253-S265 VanDerWaalsContact CZ-O 3.24Å; F253-S265 WeakPolarHBondContact CZ-O 3.39Å; K262-S265 WeakPolarHBondContact CB-OG 3.43Å; K262-S265 PolarHBondContact N-OG 3.44Å; K262-S265 PolarHBondContact O-N 3.18Å; K262-S265 PolarHBondContact O-OG 3.31Å; K263-S265 VanDerWaalsContact C-N 3.27Å; K263-S265 PolarHBondContact O-N 2.93Å
266	I	80.8	Confident	64.3	Low	9 Å²	9	92.1 Å²	92.1	5%	0.046	48%	0.48	C	S	.	.	H	α-helix	trans	-76	-43.9	175.8	-66.6	159.5	0	0	0	110.3	N223 K230 L258 L261 K262 K263	N223-I266 VanDerWaalsContact C-CG2 3.45Å; N223-I266 WeakPolarHBondContact O-CG2 3.4Å; K230-I266 HydrophobicContact CD-CD1 3.3Å; L258-I266 HydrophobicContact CD1-CD1 3.73Å; L261-I266 HydrophobicContact CB-CD1 3.73Å; L261-I266 HydrophobicContact CB-CG1 3.93Å; L261-I266 HydrophobicContact CD1-CD1 4.35Å; L261-I266 HydrophobicContact CD1-CG1 4.02Å; K262-I266 WeakPolarHBondContact O-CD1 3.27Å; K262-I266 WeakPolarHBondContact O-CG1 3.47Å; K262-I266 PolarHBondContact O-N 3.07Å; K262-I266 VanDerWaalsContact O-N 3.13Å; K263-I266 PolarHBondContact O-N 2.99Å
267	C	81.6	Confident	62.4	Low	32 Å²	32	99.7 Å²	99.7	22%	0.216	51%	0.511	C	S	.	.	S	Bend	trans	-132.3	92.7	176.4	-159.5	0	0	0	0	108.6	C224 L227 K263 T269	C224-C267 HydrophobicContact CB-CB 3.85Å; C224-C267 WeakPolarHBondContact CB-SG 3.48Å; C224-C267 WeakPolarHBondContact SG-CA 3.26Å; C224-C267 WeakPolarHBondContact SG-CB 3.3Å; C224-C267 CovalentContact SG-SG 2.04Å; C224-C267 PolarHBondContact SG-SG 3.22Å; L227-C267 HydrophobicContact CD2-CB 3.96Å; K263-C267 PolarHBondContact O-N 3.18Å; C267-T269 PolarHBondContact O-N 3.47Å; C267-T269 VanDerWaalsContact O-N 3.09Å
268	P	73.2	Confident	60	Low	96 Å²	96	107 Å²	107	62%	0.623	55%	0.55	S	S	*	.			trans	-65.7	111.9	175.1	26.7	-32.8	0	0	0	108.9	E264	E264-P268 VanDerWaalsContact O-CA 3.27Å; E264-P268 WeakPolarHBondContact O-CA 3.47Å
269	T	62.9	Low	57.9	Low	111 Å²	111	112.4 Å²	112.4	68%	0.681	59%	0.585	S	S	*	*			trans	-59.6	134.2	170.6	38.1	0	0	0	0	109	C267	C267-T269 PolarHBondContact O-N 3.47Å; C267-T269 VanDerWaalsContact O-N 3.09Å
270	P	50.7	Low	55.6	Low	105 Å²	105	115.1 Å²	115.1	68%	0.682	60%	0.604	S	S	*	*			trans	-59.3	143	171	26.7	-33.7	0	0	0	108.5	V272	P270-V272 PolarHBondContact O-N 3.3Å
271	P	42.7	Very low	53.5	Low	109 Å²	109	114.1 Å²	114.1	71%	0.708	62%	0.624	S	S	*	*			trans	-61	113.3	-178.8	24.8	-33.3	0	0	0	109.4	Y273	P271-Y273 PolarHBondContact O-N 3.33Å; P271-Y273 VanDerWaalsContact O-N 3.15Å
272	V	38	Very low	51.1	Low	128 Å²	128	118.8 Å²	118.8	78%	0.776	66%	0.659	S	S	*	*			trans	-65.4	113.2	168.4	178.5	0	0	0	0	106.3	P270 E274	P270-V272 PolarHBondContact O-N 3.3Å; V272-E274 PolarHBondContact O-N 3.15Å
273	Y	35.6	Very low	48.8	Very low	200 Å²	200	118.6 Å²	118.6	78%	0.784	66%	0.664	S	S	*	*			trans	-66.7	116.1	164.7	-77.2	-94.4	0	0	0	107.2	P271 E275	P271-Y273 PolarHBondContact O-N 3.33Å; P271-Y273 VanDerWaalsContact O-N 3.15Å; Y273-E275 PolarHBondContact O-N 3.36Å
274	E	34.8	Very low	46.4	Very low	171 Å²	171	123.5 Å²	123.5	80%	0.799	69%	0.688	S	S	*	*			trans	-70.3	83.5	168.6	-67.3	-175.6	144.2	0	0	108.4	V272 H276	V272-E274 PolarHBondContact O-N 3.15Å; E274-H276 PolarHBondContact O-N 2.89Å
275	E	31.7	Very low	44.1	Very low	182 Å²	182	124.8 Å²	124.8	85%	0.85	70%	0.698	S	S	*	*			trans	-68.3	112.8	164.4	-70.1	-167.4	144.7	0	0	108.3	Y273 E277	Y273-E275 PolarHBondContact O-N 3.36Å; E275-E277 PolarHBondContact O-N 3.42Å
276	H	36.1	Very low	41.7	Very low	178 Å²	178	127.1 Å²	127.1	82%	0.824	72%	0.72	S	S	*	*			trans	-64.2	115.9	173	-70.7	-66.5	0	0	0	109.9	E274 D278	E274-H276 PolarHBondContact O-N 2.89Å; H276-D278 PolarHBondContact O-N 3.07Å; H276-D278 VanDerWaalsContact O-N 3.15Å
277	E	31.1	Very low	39.1	Very low	198 Å²	198	131.7 Å²	131.7	93%	0.925	76%	0.759	S	S	*	*			trans	-67.5	108.2	166.4	-72.1	-166.5	140.2	0	0	110.2	E275	E275-E277 PolarHBondContact O-N 3.42Å
278	D	29.2	Very low	36.6	Very low	155 Å²	155	136.4 Å²	136.4	83%	0.829	79%	0.787	S	S	*	*			trans	-110.8	124.6	158.1	-121	-30.9	0	0	0	108.1	H276 S280	H276-D278 PolarHBondContact O-N 3.07Å; H276-D278 VanDerWaalsContact O-N 3.15Å; D278-S280 PolarHBondContact O-N 2.88Å
279	P	39.8	Very low	34.4	Very low	113 Å²	113	137.1 Å²	137.1	73%	0.734	79%	0.794	S	S	*	*			trans	-90.1	107.5	-163.5	32.3	-34.8	0	0	0	113.5
280	S	30.7	Very low	32.7	Very low	125 Å²	125	136.1 Å²	136.1	87%	0.874	79%	0.792	S	S	*	*			trans	178.4	132.4	142.8	-85.7	0	0	0	0	115.2	D278	D278-S280 PolarHBondContact O-N 2.88Å
281	G	30.3	Very low	31.7	Very low	77 Å²	77	138 Å²	138	79%	0.794	80%	0.795	S	S	*	*				95.6	111	129.8	0	0	0	0	0	119.9
282	S	28.2	Very low	31	Very low	122 Å²	122	139.2 Å²	139.2	85%	0.853	80%	0.795	S	S	*	*			trans	78.5	126.5	152.8	-158.7	0	0	0	0	119.8
283	L	30.8	Very low	30.5	Very low	147 Å²	147	139.9 Å²	139.9	77%	0.77	79%	0.794	S	S	*	*			trans	-64.5	155.3	162.1	-61.4	147.5	0	0	0	111.1
284	H	30.2	Very low	30.2	Very low	166 Å²	166	134.3 Å²	134.3	77%	0.769	79%	0.785	S	S	*	*				-177.3	141.7	106.5	-98.4	-68.4	0	0	0	115.6
285	L	29.6	Very low	29.9	Very low	148 Å²	148	136 Å²	136	78%	0.775	78%	0.784	S	S	*	*			trans	30.4	114.2	155.6	-89.2	77.1	0	0	0	122
286	A	27.4	Very low	29.7	Very low	98 Å²	98	135 Å²	135	81%	0.81	78%	0.781	S	S	*	*				37.5	122	113.3	0	0	0	0	0	121.3
287	A	27.4	Very low	29.3	Very low	105 Å²	105	130.5 Å²	130.5	87%	0.868	77%	0.77	S	S	*	*			trans	-141.9	159.3	147.4	0	0	0	0	0	110.1
288	T	27.9	Very low	29.1	Very low	131 Å²	131	126.3 Å²	126.3	80%	0.804	76%	0.758	S	S	*	*			trans	-108.8	174.7	-174	49	0	0	0	0	112.7
289	S	27.9	Very low	29.1	Very low	111 Å²	111	128.1 Å²	128.1	78%	0.776	76%	0.758	S	S	*	*			trans	75.6	161.9	162.4	85.1	0	0	0	0	116.8
290	S	25.8	Very low	28.5	Very low	89 Å²	89	128.8 Å²	128.8	62%	0.622	76%	0.761	S	S	*	*			cis	-179.8	157.4	-39.5	59.8	0	0	0	0	108.9
291	I	30.9	Very low	28.4	Very low	145 Å²	145	129.9 Å²	129.9	74%	0.744	76%	0.762	S	S	*	*			trans	73.4	130.9	143.6	-77.5	165.1	0	0	0	118.7
292	N	28.2	Very low	28.3	Very low	134 Å²	134	131.5 Å²	131.5	72%	0.717	76%	0.761	S	S	*	*			trans	82.1	118.4	153.1	-78.5	10.3	0	0	0	123
293	D	26.8	Very low	28.4	Very low	142 Å²	142	134 Å²	134	76%	0.759	76%	0.763	S	S	*	*				52.9	129.9	109.4	-105.1	-24.7	0	0	0	118.5
294	S	28.8	Very low	28.5	Very low	83 Å²	83	134.4 Å²	134.4	58%	0.58	77%	0.765	S	S	*	*			cis	-177	168.7	33	53.6	0	0	0	0	114.3
295	R	29.8	Very low	28.4	Very low	206 Å²	206	135.9 Å²	135.9	78%	0.777	77%	0.769	S	S	*	*			trans	63.5	126.8	139.9	-80.9	169.3	-179.4	-139.9	0.4	122
296	M	27	Very low	28.8	Very low	161 Å²	161	134.2 Å²	134.2	79%	0.793	77%	0.767	S	S	*	*			trans	73.3	158.5	132.4	-67.1	163	54.5	0	0	119.1
297	S	27.7	Very low	29.7	Very low	84 Å²	84	134.7 Å²	134.7	59%	0.587	76%	0.762	S	S	*	*			cis	-179.6	140.6	-29.7	-178.4	0	0	0	0	108.9
298	T	27.6	Very low	29.7	Very low	111 Å²	111	135.8 Å²	135.8	68%	0.681	76%	0.759	S	S	*	*			trans	46.1	106.5	150.3	54.3	0	0	0	0	120.5
299	K	28.3	Very low	29.8	Very low	193 Å²	193	138.7 Å²	138.7	84%	0.839	76%	0.76	S	S	*	*				173.4	123.1	110.2	-90.8	156.3	-173.9	176.8	0	108.8
300	T	27.1	Very low	29.9	Very low	127 Å²	127	138 Å²	138	78%	0.779	76%	0.761	S	S	*	*				66.9	91.1	59	-47.7	0	0	0	0	113.3
301	T	27.6	Very low	30.4	Very low	148 Å²	148	139.8 Å²	139.8	91%	0.908	77%	0.77	S	S	*	*			trans	-149.6	144.9	142.4	-16.6	0	0	0	0	110.5
302	S	28.8	Very low	30.4	Very low	110 Å²	110	144.3 Å²	144.3	77%	0.769	78%	0.778	S	S	*	*			trans	-122.2	136.4	-178.5	55.7	0	0	0	0	111.2
303	I	31.1	Very low	30.5	Very low	174 Å²	174	146.3 Å²	146.3	89%	0.892	79%	0.788	S	S	*	*			trans	-134.6	137.8	162.6	-62.3	-175.6	0	0	0	109.5
304	L	31.7	Very low	30.8	Very low	157 Å²	157	147 Å²	147	82%	0.822	79%	0.79	S	S	*	*			trans	-124.2	119.7	-177.1	-107.1	163.7	0	0	0	109.7
305	K	29.4	Very low	31.1	Very low	196 Å²	196	147.9 Å²	147.9	85%	0.852	79%	0.794	S	S	*	*				169.5	151.6	126.6	-93.4	167.3	-177.2	-179.6	0	114
306	P	37.6	Very low	31	Very low	113 Å²	113	149.1 Å²	149.1	73%	0.734	80%	0.8	S	S	*	*			trans	-108	-152	171.1	46.5	-37.1	0	0	0	109.5
307	P	46.7	Very low	31.3	Very low	109 Å²	109	148.4 Å²	148.4	71%	0.708	80%	0.798	S	S	*	*			cis	-127.2	169.9	-27.7	37.9	-24.2	0	0	0	113.3
308	T	27.5	Very low	31.5	Very low	128 Å²	128	150.8 Å²	150.8	79%	0.785	81%	0.809	S	S	*	*			trans	-159.3	131.7	148.5	18	0	0	0	0	115.7
309	K	29.9	Very low	31.7	Very low	192 Å²	192	154.5 Å²	154.5	84%	0.835	82%	0.816	S	S	*	*			trans	49	116.4	141.1	-64.4	173.6	-178.7	178	0	120.7
310	A	29	Very low	32	Very low	96 Å²	96	151 Å²	151	79%	0.793	81%	0.812	S	S	*	*			trans	-76.4	166.2	150.9	0	0	0	0	0	112
311	P	36.9	Very low	32.2	Very low	127 Å²	127	149 Å²	149	83%	0.825	80%	0.804	S	S	*	*				-124.8	165	127.9	36.8	-31.5	0	0	0	113
312	R	30.5	Very low	32.7	Very low	240 Å²	240	148.7 Å²	148.7	91%	0.906	80%	0.802	S	S	*	*			trans	-84.5	151.4	-178.4	-62.4	171.6	173.4	168	-4.5	112.3
313	L	31.6	Very low	33	Very low	176 Å²	176	151.2 Å²	151.2	92%	0.921	80%	0.802	S	S	*	*			trans	-129.5	166.8	144.5	-88.9	173.9	0	0	0	110.5
314	I	31.9	Very low	33.1	Very low	155 Å²	155	150.5 Å²	150.5	80%	0.795	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-97.5	151.2	-154.4	-82	170.3	0	0	0	112.1
315	P	35.6	Very low	33.5	Very low	103 Å²	103	146.9 Å²	146.9	67%	0.669	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-86.8	157	-159.7	34.3	-37.7	0	0	0	114.7	I317	P315-I317 PolarHBondContact O-N 2.96Å
316	Y	27.6	Very low	34.7	Very low	231 Å²	231	139.9 Å²	139.9	91%	0.906	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-75.5	117	164.2	-97.8	-89.1	0	0	0	110.9
317	I	33.1	Very low	35.9	Very low	147 Å²	147	137.7 Å²	137.7	75%	0.754	75%	0.754	S	S	*	*			trans	-86.9	106.5	170.3	-60.2	172	0	0	0	108.4	P315	P315-I317 PolarHBondContact O-N 2.96Å
318	T	32.3	Very low	37.1	Very low	133 Å²	133	137.8 Å²	137.8	82%	0.816	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-91.7	134.7	153.6	38.9	0	0	0	0	108.9
319	K	31.1	Very low	39.6	Very low	190 Å²	190	133.6 Å²	133.6	83%	0.826	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-69.6	153.5	-175.7	-86.5	-177.3	175.9	179.2	0	111.7	S321	K319-S321 PolarHBondContact O-N 3.34Å
320	P	36.1	Very low	42.1	Very low	118 Å²	118	124.5 Å²	124.5	77%	0.766	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-65.5	136.1	-173.3	26.9	-35.7	0	0	0	111.7
321	S	29.3	Very low	44.3	Very low	87 Å²	87	125.8 Å²	125.8	61%	0.608	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-71.9	130.7	152.2	54.8	0	0	0	0	107.8	K319 Q323	K319-S321 PolarHBondContact O-N 3.34Å; S321-Q323 PolarHBondContact O-N 3.37Å
322	T	39	Very low	46.4	Very low	141 Å²	141	122.3 Å²	122.3	87%	0.865	65%	0.647	S	S	*	*			trans	-78.6	67	173	50.6	0	0	0	0	109.9
323	Q	34.9	Very low	48.8	Very low	163 Å²	163	111.5 Å²	111.5	76%	0.762	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-77.3	137.4	159.6	-68	-179.2	-19.5	0	0	107.8	S321	S321-Q323 PolarHBondContact O-N 3.37Å
324	L	34	Very low	51	Low	159 Å²	159	107.4 Å²	107.4	83%	0.832	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-62.9	140	167.7	-73.6	78.8	0	0	0	107.7	G326	L324-G326 PolarHBondContact O-N 2.82Å
325	P	39.4	Very low	53.3	Low	80 Å²	80	102.2 Å²	102.2	52%	0.519	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-59.1	130	174.8	25.3	-33	0	0	0	109.4	Y328	P325-Y328 HydrophobicContact CB-CE2 4.06Å; P325-Y328 WeakPolarHBondContact CB-OH 3.27Å
326	G	54.2	Low	55.1	Low	49 Å²	49	103.7 Å²	103.7	51%	0.505	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-63.1	161.8	172.4	0	0	0	0	0	111.4	L324 Y328	L324-G326 PolarHBondContact O-N 2.82Å; G326-Y328 PolarHBondContact O-N 3.3Å
327	P	63	Low	57.3	Low	67 Å²	67	97 Å²	97	44%	0.435	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-59.8	116.6	-178.9	25.3	-33.7	0	0	0	110	C329 V337 L343	P327-C329 PolarHBondContact O-N 2.7Å; P327-V337 HydrophobicContact CG-CG2 3.89Å; P327-L343 HydrophobicContact CB-CD1 4.17Å; P327-L343 HydrophobicContact CG-CD1 4.33Å
328	Y	72.1	Confident	58.7	Low	111 Å²	111	92 Å²	92	44%	0.435	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-61.8	132.6	179.1	-64	-78.9	0	0	0	110.3	P325 G326 P360 P362 Q363	P325-Y328 HydrophobicContact CB-CE2 4.06Å; P325-Y328 WeakPolarHBondContact CB-OH 3.27Å; G326-Y328 PolarHBondContact O-N 3.3Å; Y328-P360 HydrophobicContact CD1-CG 4.32Å; Y328-P360 HydrophobicContact CG-CG 4.46Å; Y328-P362 WeakPolarHBondContact O-CA 3.31Å; Y328-Q363 HydrophobicContact CD2-CG 4.36Å
329	C	79.4	Confident	59.7	Low	40 Å²	40	91 Å²	91	27%	0.27	52%	0.516	S	S	.	.			trans	-105.7	132.2	174.7	-169.6	0	0	0	0	109.4	P327 C333 C335	P327-C329 PolarHBondContact O-N 2.7Å; C329-C333 PolarHBondContact SG-O 2.77Å; C329-C335 WeakPolarHBondContact CA-SG 3.37Å; C329-C335 HydrophobicContact CB-CB 3.74Å; C329-C335 WeakPolarHBondContact CB-SG 3.33Å; C329-C335 WeakPolarHBondContact SG-CB 3.33Å; C329-C335 PolarHBondContact SG-N 2.71Å; C329-C335 CovalentContact SG-SG 2.03Å; C329-C335 PolarHBondContact SG-SG 2.92Å
330	P	82.8	Confident	60.7	Low	1 Å²	1	86.5 Å²	86.5	1%	0.006	51%	0.506	C	S	.	.			trans	-64.1	134.9	174.3	-20.2	32.3	0	0	0	111.1	C333 L358 P360 P362	P330-C333 WeakPolarHBondContact O-CA 3.01Å; P330-C333 VanDerWaalsContact O-CB 3.31Å; P330-C333 WeakPolarHBondContact O-CB 3.34Å; P330-C333 PolarHBondContact O-N 3.01Å; P330-L358 HydrophobicContact CB-CB 3.95Å; P330-L358 HydrophobicContact CB-CD2 4.4Å; P330-P360 WeakPolarHBondContact CA-O 3.21Å; P330-P360 WeakPolarHBondContact CG-O 3.01Å; P330-P362 HydrophobicContact CG-CB 4.25Å; P330-P362 HydrophobicContact CG-CG 4.29Å
331	I	76.4	Confident	62	Low	124 Å²	124	85.5 Å²	85.5	64%	0.636	50%	0.502	S	S	*	.	B	Isolated β-bridge	trans	-80	137	167.2	-59.9	176.3	0	0	0	106.6	R359	I331-R359 PolarHBondContact N-O 3.11Å
332	P	79.1	Confident	64	Low	54 Å²	54	81.5 Å²	81.5	35%	0.351	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	cis	-96.3	24.3	9.3	39.7	-37.4	0	0	0	114.8	R350 I352	P332-R350 HydrophobicContact CG-CB 4.03Å; P332-R350 WeakPolarHBondContact O-CD 3.37Å; P332-R350 PolarHBondContact O-NH1 2.9Å; P332-I352 HydrophobicContact CG-CD1 4.35Å; P332-I352 HydrophobicContact CG-CG1 4.27Å
333	C	81.8	Confident	65.9	Low	13 Å²	13	75 Å²	75	9%	0.088	43%	0.434	C	S	.	.			trans	-84.9	167	-169.2	-49.2	0	0	0	0	114.7	C329 P330 I345 H346 C347 L358	C329-C333 PolarHBondContact SG-O 2.77Å; P330-C333 WeakPolarHBondContact O-CA 3.01Å; P330-C333 VanDerWaalsContact O-CB 3.31Å; P330-C333 WeakPolarHBondContact O-CB 3.34Å; P330-C333 PolarHBondContact O-N 3.01Å; C333-I345 HydrophobicContact CB-CG2 3.82Å; C333-H346 WeakPolarHBondContact CA-O 3.34Å; C333-H346 WeakPolarHBondContact CB-O 3.44Å; C333-C347 HydrophobicContact CB-CB 4.04Å; C333-C347 WeakPolarHBondContact CB-SG 3.5Å; C333-C347 VanDerWaalsContact SG-CA 3.58Å; C333-C347 WeakPolarHBondContact SG-CB 3.28Å; C333-C347 CovalentContact SG-SG 2.03Å; C333-C347 PolarHBondContact SG-SG 2.94Å; C333-L358 WeakPolarHBondContact SG-CD2 3.48Å
334	N	78.3	Confident	68	Low	90 Å²	90	68.3 Å²	68.3	48%	0.481	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	138.4	169.1	-70.6	32.2	0	0	0	109.6	H346 R350	N334-H346 PolarHBondContact N-O 2.93Å; N334-H346 PolarHBondContact O-N 2.83Å; N334-R350 VanDerWaalsContact OD1-CZ 3.28Å; N334-R350 PolarHBondContact OD1-NH1 2.79Å; N334-R350 PolarHBondContact OD1-NH2 2.01Å
335	C	80	Confident	70.3	Confident	45 Å²	45	60.7 Å²	60.7	30%	0.304	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	136.9	179.8	-57.4	0	0	0	0	113	C329 L343 L344	C329-C335 WeakPolarHBondContact CA-SG 3.37Å; C329-C335 HydrophobicContact CB-CB 3.74Å; C329-C335 WeakPolarHBondContact CB-SG 3.33Å; C329-C335 WeakPolarHBondContact SG-CB 3.33Å; C329-C335 PolarHBondContact SG-N 2.71Å; C329-C335 CovalentContact SG-SG 2.03Å; C329-C335 PolarHBondContact SG-SG 2.92Å; C335-L343 HydrophobicContact CB-CD1 3.93Å; C335-L343 HydrophobicContact CB-CD2 4.08Å; C335-L343 HydrophobicContact CB-CG 4.03Å; C335-L344 CarbonylContact C-O 3.46Å; C335-L344 VanDerWaalsContact CA-O 3.26Å; C335-L344 WeakPolarHBondContact CA-O 3.36Å
336	K	74.2	Confident	72.1	Confident	134 Å²	134	60 Å²	60	58%	0.583	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.9	130.2	174.3	-173.6	174.4	-178.7	178.3	0	109	L338 L344	K336-L338 PolarHBondContact O-N 2.84Å; K336-L344 HydrophobicContact CB-CB 4.45Å; K336-L344 HydrophobicContact CB-CD2 4.43Å; K336-L344 PolarHBondContact N-O 2.92Å; K336-L344 PolarHBondContact O-N 2.89Å
337	V	72.6	Confident	73.3	Confident	90 Å²	90	57.7 Å²	57.7	55%	0.545	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	119.4	177.1	-177.9	0	0	0	0	109.4	P327 L343	P327-V337 HydrophobicContact CG-CG2 3.89Å; V337-L343 HydrophobicContact CG2-CD1 4.04Å
338	L	63.1	Low	73.8	Confident	42 Å²	42	55.9 Å²	55.9	22%	0.22	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	128.3	171.2	-65.1	159.8	0	0	0	108.9	K336 P340 S341 G342 L344 R366 K367	K336-L338 PolarHBondContact O-N 2.84Å; L338-P340 CarbonylContact O-C 3.58Å; L338-P340 VanDerWaalsContact O-C 3.3Å; L338-S341 PolarHBondContact O-N 3.48Å; L338-G342 PolarHBondContact N-O 3.11Å; L338-G342 PolarHBondContact O-N 3.01Å; L338-L344 HydrophobicContact CD1-CB 3.94Å; L338-L344 HydrophobicContact CD2-CB 4.42Å; L338-L344 HydrophobicContact CG-CB 4.04Å; L338-R366 HydrophobicContact CD1-CB 3.94Å; L338-K367 HydrophobicContact CD1-CG 4.38Å
339	S	52.4	Low	73.6	Confident	113 Å²	113	54.5 Å²	54.5	79%	0.79	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	126.6	167.2	-71.1	0	0	0	0	109.6
340	P	53.4	Low	73.4	Confident	95 Å²	95	56.3 Å²	56.3	62%	0.617	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	cis	-92.9	126.2	0.4	34.4	-30.3	0	0	0	113.7	L338 G342 R366	L338-P340 CarbonylContact O-C 3.58Å; L338-P340 VanDerWaalsContact O-C 3.3Å; P340-G342 VanDerWaalsContact C-N 3.32Å; P340-G342 PolarHBondContact O-N 3.26Å; P340-G342 VanDerWaalsContact O-N 3.14Å; P340-R366 PolarHBondContact O-NH2 2.79Å
341	S	63.1	Low	73.4	Confident	98 Å²	98	62 Å²	62	69%	0.685	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	27	160.9	-50.2	0	0	0	0	117.8	L338	L338-S341 PolarHBondContact O-N 3.48Å
342	G	70.2	Confident	73.8	Confident	3 Å²	3	56.3 Å²	56.3	3%	0.031	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	159.7	172.8	0	0	0	0	0	113	L338 P340	L338-G342 PolarHBondContact N-O 3.11Å; L338-G342 PolarHBondContact O-N 3.01Å; P340-G342 VanDerWaalsContact C-N 3.32Å; P340-G342 PolarHBondContact O-N 3.26Å; P340-G342 VanDerWaalsContact O-N 3.14Å
343	L	78.9	Confident	74.2	Confident	4 Å²	4	60.3 Å²	60.3	2%	0.021	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	127.7	172.4	-156.8	68.6	0	0	0	111.2	P327 C335 V337 I345 P362 N364 R366 K367	P327-L343 HydrophobicContact CB-CD1 4.17Å; P327-L343 HydrophobicContact CG-CD1 4.33Å; C335-L343 HydrophobicContact CB-CD1 3.93Å; C335-L343 HydrophobicContact CB-CD2 4.08Å; C335-L343 HydrophobicContact CB-CG 4.03Å; V337-L343 HydrophobicContact CG2-CD1 4.04Å; L343-I345 HydrophobicContact CD2-CD1 4.15Å; L343-I345 HydrophobicContact CD2-CG1 4.04Å; L343-I345 HydrophobicContact CG-CG1 4.12Å; L343-P362 HydrophobicContact CD2-CB 3.85Å; L343-N364 PolarHBondContact N-O 2.04Å; L343-R366 PolarHBondContact O-N 3.33Å; L343-K367 PolarHBondContact O-N 2.85Å
344	L	79.8	Confident	74.4	Confident	22 Å²	22	61.2 Å²	61.2	12%	0.115	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	127.9	167.8	162.3	60.9	0	0	0	108.1	C335 K336 L338 H346 K367 I369	C335-L344 CarbonylContact C-O 3.46Å; C335-L344 VanDerWaalsContact CA-O 3.26Å; C335-L344 WeakPolarHBondContact CA-O 3.36Å; K336-L344 HydrophobicContact CB-CB 4.45Å; K336-L344 HydrophobicContact CB-CD2 4.43Å; K336-L344 PolarHBondContact N-O 2.92Å; K336-L344 PolarHBondContact O-N 2.89Å; L338-L344 HydrophobicContact CD1-CB 3.94Å; L338-L344 HydrophobicContact CD2-CB 4.42Å; L338-L344 HydrophobicContact CG-CB 4.04Å; L344-H346 WeakPolarHBondContact CD2-NE2 3.13Å; L344-H346 WeakPolarHBondContact CG-NE2 3.33Å; L344-K367 CarbonylContact C-O 3.57Å; L344-K367 WeakPolarHBondContact CA-O 2.95Å; L344-K367 HydrophobicContact CB-CB 4.32Å; L344-K367 HydrophobicContact CD1-CB 3.53Å; L344-K367 HydrophobicContact CD1-CD 4.35Å; L344-K367 HydrophobicContact CG-CB 4.49Å; L344-I369 HydrophobicContact CD1-CD1 4.06Å; L344-I369 HydrophobicContact CD1-CG1 4.49Å
345	I	83.1	Confident	74.7	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	116.1	-170.8	-50.1	176.8	0	0	0	109.1	C333 L343 P362 P365 K367 L368 I369	C333-I345 HydrophobicContact CB-CG2 3.82Å; L343-I345 HydrophobicContact CD2-CD1 4.15Å; L343-I345 HydrophobicContact CD2-CG1 4.04Å; L343-I345 HydrophobicContact CG-CG1 4.12Å; I345-P362 HydrophobicContact CD1-CB 3.47Å; I345-P362 VanDerWaalsContact CD1-CB 3.47Å; I345-P362 HydrophobicContact CD1-CG 3.56Å; I345-P365 HydrophobicContact CD1-CB 3.95Å; I345-K367 PolarHBondContact N-O 3.14Å; I345-L368 HydrophobicContact CB-CD1 3.85Å; I345-L368 HydrophobicContact CG2-CD1 3.83Å; I345-I369 PolarHBondContact O-N 2.63Å
346	H	76.1	Confident	74.8	Confident	66 Å²	66	57.1 Å²	57.1	31%	0.306	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	107.8	176.7	-63.2	-99.3	0	0	0	110.3	C333 N334 L344	C333-H346 WeakPolarHBondContact CA-O 3.34Å; C333-H346 WeakPolarHBondContact CB-O 3.44Å; N334-H346 PolarHBondContact N-O 2.93Å; N334-H346 PolarHBondContact O-N 2.83Å; L344-H346 WeakPolarHBondContact CD2-NE2 3.13Å; L344-H346 WeakPolarHBondContact CG-NE2 3.33Å
347	C	80.1	Confident	75	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.309	C	S	.	.			trans	-113.5	5.6	178.9	-60.6	0	0	0	0	112.8	C333 I352 I369 L370 N373	C333-C347 HydrophobicContact CB-CB 4.04Å; C333-C347 WeakPolarHBondContact CB-SG 3.5Å; C333-C347 VanDerWaalsContact SG-CA 3.58Å; C333-C347 WeakPolarHBondContact SG-CB 3.28Å; C333-C347 CovalentContact SG-SG 2.03Å; C333-C347 PolarHBondContact SG-SG 2.94Å; C347-I352 HydrophobicContact CB-CD1 3.75Å; C347-I352 WeakPolarHBondContact O-CD1 3.41Å; C347-I369 CarbonylContact C-O 3.52Å; C347-I369 WeakPolarHBondContact CA-O 3.22Å; C347-I369 WeakPolarHBondContact CB-O 2.99Å; C347-I369 PolarHBondContact N-O 3.11Å; C347-L370 HydrophobicContact CB-CD2 3.35Å; C347-L370 HydrophobicContact CB-CG 3.99Å; C347-N373 PolarHBondContact O-ND2 3.34Å
348	Q	72.2	Confident	75.4	Confident	29 Å²	29	51 Å²	51	14%	0.136	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	139.1	-174.3	174.8	-175.6	-8.2	0	0	113.7	D244 R350 I369 A371	D244-Q348 PolarHBondContact OD2-NE2 2.93Å; Q348-R350 WeakPolarHBondContact O-CG 3.45Å; Q348-R350 PolarHBondContact O-N 2.87Å; Q348-I369 HydrophobicContact CB-CG2 4.36Å; Q348-I369 PolarHBondContact N-O 2.67Å; Q348-A371 WeakPolarHBondContact CA-O 3.42Å; Q348-A371 HydrophobicContact CG-CB 4.1Å; Q348-A371 WeakPolarHBondContact CG-O 3.24Å
349	E	69.6	Low	76.1	Confident	81 Å²	81	57 Å²	57	38%	0.379	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	43.6	176.9	-62.6	137.5	-146.3	0	0	114.8	R260 A371 G372	R260-E349 IonicContact CZ-OE2 2.75Å; R260-E349 IonicContact NH1-OE2 2.66Å; R260-E349 PolarHBondContact NH1-OE2 3.44Å; R260-E349 IonicContact NH2-OE1 2.7Å; R260-E349 IonicContact NH2-OE2 3.99Å; R260-E349 PolarHBondContact NH2-OE2 3.28Å; E349-A371 PolarHBondContact N-O 3.32Å; E349-A371 VanDerWaalsContact N-O 3.09Å; E349-G372 WeakPolarHBondContact CA-O 3.46Å
350	R	75.1	Confident	77.4	Confident	79 Å²	79	54.4 Å²	54.4	30%	0.298	29%	0.285	S	S	.	.	S	Bend	trans	-112.5	14.8	-179.8	-55.9	-161.3	-177.1	-146.7	-2.2	114.3	P332 N334 Q348 I352 N373	P332-R350 HydrophobicContact CG-CB 4.03Å; P332-R350 WeakPolarHBondContact O-CD 3.37Å; P332-R350 PolarHBondContact O-NH1 2.9Å; N334-R350 VanDerWaalsContact OD1-CZ 3.28Å; N334-R350 PolarHBondContact OD1-NH1 2.79Å; N334-R350 PolarHBondContact OD1-NH2 2.01Å; Q348-R350 WeakPolarHBondContact O-CG 3.45Å; Q348-R350 PolarHBondContact O-N 2.87Å; R350-I352 HydrophobicContact CB-CD1 4.14Å; R350-I352 HydrophobicContact CB-CG1 4.14Å; R350-I352 PolarHBondContact O-N 3.03Å; R350-N373 PolarHBondContact N-OD1 3.28Å
351	N	81.2	Confident	78.4	Confident	119 Å²	119	52.1 Å²	52.1	64%	0.636	27%	0.27	S	S	*	.			trans	52.7	39	-176.3	-57.2	-45	0	0	0	112.8	E353 N373 I374	N351-E353 PolarHBondContact O-N 3.08Å; N351-N373 PolarHBondContact N-OD1 2.8Å; N351-N373 VanDerWaalsContact N-OD1 3.09Å; N351-I374 HydrophobicContact CB-CD1 4.24Å
352	I	85.9	Confident	79.1	Confident	6 Å²	6	48 Å²	48	3%	0.031	24%	0.241	C	C	.	.			trans	-71.7	125.9	176.6	-64.5	161.8	0	0	0	108.7	P332 C347 R350 S354 L358 L370 N373 I374 I375	P332-I352 HydrophobicContact CG-CD1 4.35Å; P332-I352 HydrophobicContact CG-CG1 4.27Å; C347-I352 HydrophobicContact CB-CD1 3.75Å; C347-I352 WeakPolarHBondContact O-CD1 3.41Å; R350-I352 HydrophobicContact CB-CD1 4.14Å; R350-I352 HydrophobicContact CB-CG1 4.14Å; R350-I352 PolarHBondContact O-N 3.03Å; I352-S354 VanDerWaalsContact CG2-O 3.24Å; I352-S354 WeakPolarHBondContact CG2-O 3.27Å; I352-L358 HydrophobicContact CD1-CD2 4.05Å; I352-L370 HydrophobicContact CD1-CD2 3.81Å; I352-N373 HydrophobicContact CB-CB 4.25Å; I352-N373 PolarHBondContact N-OD1 3.07Å; I352-I374 CarbonylContact O-C 3.53Å; I352-I374 WeakPolarHBondContact O-CG1 3.28Å; I352-I374 PolarHBondContact O-N 2.97Å; I352-I374 VanDerWaalsContact O-N 3.13Å; I352-I375 HydrophobicContact CG2-CG1 4.36Å; I352-I375 PolarHBondContact O-N 3.25Å
353	E	87.3	Confident	79.4	Confident	137 Å²	137	52.5 Å²	52.5	64%	0.64	26%	0.261	S	S	*	.			trans	-92.1	-33.4	178.3	-69.5	179.6	-163.4	0	0	111.5	N351 I374	N351-E353 PolarHBondContact O-N 3.08Å; E353-I374 HydrophobicContact CG-CD1 3.58Å; E353-I374 HydrophobicContact CG-CG1 3.81Å
354	S	86.3	Confident	79.5	Confident	32 Å²	32	56.5 Å²	56.5	22%	0.224	28%	0.282	C	S	.	.			trans	-141.1	147.5	176.4	-176.2	0	0	0	0	112.8	I352 S356 D357	I352-S354 VanDerWaalsContact CG2-O 3.24Å; I352-S354 WeakPolarHBondContact CG2-O 3.27Å; S354-S356 PolarHBondContact O-N 2.94Å; S354-S356 WeakPolarHBondContact OG-CB 3.37Å; S354-S356 PolarHBondContact OG-N 3.3Å; S354-S356 VanDerWaalsContact OG-N 3.12Å; S354-D357 PolarHBondContact N-OD2 2.62Å; S354-D357 VanDerWaalsContact O-CB 3.27Å; S354-D357 WeakPolarHBondContact O-CB 3.06Å; S354-D357 VanDerWaalsContact O-CG 3.32Å; S354-D357 PolarHBondContact O-N 3.26Å; S354-D357 VanDerWaalsContact O-N 3.1Å; S354-D357 VanDerWaalsContact O-OD2 3.04Å
355	L	85.1	Confident	79.8	Confident	4 Å²	4	55.5 Å²	55.5	2%	0.021	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-62.2	-23.3	168.4	-81	77.8	0	0	0	111.9	D357 L358 L370 I375 L378 D382 L383 L394	L355-D357 PolarHBondContact O-N 3.13Å; L355-D357 VanDerWaalsContact O-N 3.14Å; L355-L358 HydrophobicContact CB-CD1 4.29Å; L355-L358 HydrophobicContact CG-CD1 4.18Å; L355-L358 VanDerWaalsContact O-CB 3.23Å; L355-L358 WeakPolarHBondContact O-CB 3.03Å; L355-L358 WeakPolarHBondContact O-CG 3.3Å; L355-L358 PolarHBondContact O-N 2.86Å; L355-L370 HydrophobicContact CD1-CD1 4.16Å; L355-L370 HydrophobicContact CD2-CD1 3.93Å; L355-L370 HydrophobicContact CG-CD1 3.81Å; L355-I375 HydrophobicContact CD1-CD1 3.75Å; L355-I375 HydrophobicContact CD1-CG1 4.31Å; L355-I375 HydrophobicContact CD1-CG2 3.91Å; L355-L378 HydrophobicContact CD1-CD1 3.86Å; L355-L378 HydrophobicContact CD2-CD1 3.78Å; L355-L378 HydrophobicContact CG-CD1 4.38Å; L355-D382 HydrophobicContact CB-CB 3.7Å; L355-D382 HydrophobicContact CD2-CB 4.25Å; L355-L383 HydrophobicContact CD2-CD1 4.39Å; L355-L383 HydrophobicContact CD2-CD2 3.6Å; L355-L383 HydrophobicContact CD2-CG 3.85Å; L355-L394 HydrophobicContact CD1-CD2 4.29Å
356	S	80.7	Confident	79.9	Confident	46 Å²	46	59 Å²	59	32%	0.322	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-63.8	-12.6	173.6	-80.8	0	0	0	0	114.2	S354 L358 R359 D382	S354-S356 PolarHBondContact O-N 2.94Å; S354-S356 WeakPolarHBondContact OG-CB 3.37Å; S354-S356 PolarHBondContact OG-N 3.3Å; S354-S356 VanDerWaalsContact OG-N 3.12Å; S356-L358 VanDerWaalsContact C-N 3.35Å; S356-R359 PolarHBondContact O-NE 2.85Å; S356-R359 PolarHBondContact O-NH2 2.96Å; S356-R359 VanDerWaalsContact O-NH2 3.1Å; S356-D382 PolarHBondContact OG-OD1 3.2Å
357	D	78	Confident	80.3	Confident	87 Å²	87	58.8 Å²	58.8	47%	0.465	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-75.5	-22.4	171.9	-58.6	-38.1	0	0	0	112.5	S354 L355 R359	S354-D357 PolarHBondContact N-OD2 2.62Å; S354-D357 VanDerWaalsContact O-CB 3.27Å; S354-D357 WeakPolarHBondContact O-CB 3.06Å; S354-D357 VanDerWaalsContact O-CG 3.32Å; S354-D357 PolarHBondContact O-N 3.26Å; S354-D357 VanDerWaalsContact O-N 3.1Å; S354-D357 VanDerWaalsContact O-OD2 3.04Å; L355-D357 PolarHBondContact O-N 3.13Å; L355-D357 VanDerWaalsContact O-N 3.14Å; D357-R359 PolarHBondContact O-N 3.23Å
358	L	82.4	Confident	80.7	Confident	7 Å²	7	58.8 Å²	58.8	4%	0.037	29%	0.289	C	S	.	.			trans	-73.9	83.6	-173.7	-60.3	177.2	0	0	0	112	P330 C333 I352 L355 S356 L370	P330-L358 HydrophobicContact CB-CB 3.95Å; P330-L358 HydrophobicContact CB-CD2 4.4Å; C333-L358 WeakPolarHBondContact SG-CD2 3.48Å; I352-L358 HydrophobicContact CD1-CD2 4.05Å; L355-L358 HydrophobicContact CB-CD1 4.29Å; L355-L358 HydrophobicContact CG-CD1 4.18Å; L355-L358 VanDerWaalsContact O-CB 3.23Å; L355-L358 WeakPolarHBondContact O-CB 3.03Å; L355-L358 WeakPolarHBondContact O-CG 3.3Å; L355-L358 PolarHBondContact O-N 2.86Å; S356-L358 VanDerWaalsContact C-N 3.35Å; L358-L370 HydrophobicContact CD1-CD1 4.18Å; L358-L370 HydrophobicContact CD1-CD2 4.09Å
359	R	77.6	Confident	81.1	Confident	169 Å²	169	58.5 Å²	58.5	64%	0.638	29%	0.288	S	S	*	.	B	Isolated β-bridge	trans	-128.1	146.7	-177.6	-56.7	-175.1	-168	-151.2	-2.8	112.1	I331 S356 D357	I331-R359 PolarHBondContact N-O 3.11Å; S356-R359 PolarHBondContact O-NE 2.85Å; S356-R359 PolarHBondContact O-NH2 2.96Å; S356-R359 VanDerWaalsContact O-NH2 3.1Å; D357-R359 PolarHBondContact O-N 3.23Å
360	P	78.8	Confident	81.9	Confident	58 Å²	58	54.7 Å²	54.7	38%	0.377	27%	0.27	S	S	.	.	S	Bend	cis	-68.4	159.7	-10.3	32.8	-37.9	0	0	0	112.2	Y328 P330	Y328-P360 HydrophobicContact CD1-CG 4.32Å; Y328-P360 HydrophobicContact CG-CG 4.46Å; P330-P360 WeakPolarHBondContact CA-O 3.21Å; P330-P360 WeakPolarHBondContact CG-O 3.01Å
361	P	75	Confident	82	Confident	48 Å²	48	51.3 Å²	51.3	31%	0.312	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-64.9	147.5	178	27.5	-35.5	0	0	0	111.9	E385	P361-E385 HydrophobicContact CB-CB 4.39Å; P361-E385 WeakPolarHBondContact CB-OE2 3.5Å; P361-E385 WeakPolarHBondContact CG-OE2 3.08Å
362	P	78.4	Confident	81.7	Confident	11 Å²	11	47 Å²	47	7%	0.071	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-78.1	149.6	-174.4	31.5	-34.6	0	0	0	112.8	Y328 P330 L343 I345 P365 Y386	Y328-P362 WeakPolarHBondContact O-CA 3.31Å; P330-P362 HydrophobicContact CG-CB 4.25Å; P330-P362 HydrophobicContact CG-CG 4.29Å; L343-P362 HydrophobicContact CD2-CB 3.85Å; I345-P362 HydrophobicContact CD1-CB 3.47Å; I345-P362 VanDerWaalsContact CD1-CB 3.47Å; I345-P362 HydrophobicContact CD1-CG 3.56Å; P362-P365 HydrophobicContact CB-CB 4.32Å; P362-P365 HydrophobicContact CG-CB 3.83Å; P362-P365 HydrophobicContact CG-CG 3.81Å; P362-Y386 HydrophobicContact CG-CD1 4.11Å; P362-Y386 HydrophobicContact CG-CE1 3.54Å
363	Q	76.8	Confident	81.6	Confident	97 Å²	97	47 Å²	47	45%	0.453	24%	0.243	S	C	.	.	S	Bend	trans	-87.7	124.1	167.5	-68	-173.4	-4.7	0	0	110.5	Y328	Y328-Q363 HydrophobicContact CD2-CG 4.36Å
364	N	80.5	Confident	81.7	Confident	88 Å²	88	43 Å²	43	47%	0.471	23%	0.225	S	C	.	.	S	Bend	trans	51.4	54	-179.7	-57.3	-22.8	0	0	0	115.3	L343 R366	L343-N364 PolarHBondContact N-O 2.04Å; N364-R366 PolarHBondContact O-N 3.46Å
365	P	85.4	Confident	82	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	119	171.2	29	-37.3	0	0	0	111.1	I345 P362 Y386 T388 L389	I345-P365 HydrophobicContact CD1-CB 3.95Å; P362-P365 HydrophobicContact CB-CB 4.32Å; P362-P365 HydrophobicContact CG-CB 3.83Å; P362-P365 HydrophobicContact CG-CG 3.81Å; P365-Y386 HydrophobicContact CB-CD1 3.98Å; P365-Y386 HydrophobicContact CB-CE1 4.49Å; P365-Y386 HydrophobicContact CG-CD1 3.85Å; P365-Y386 HydrophobicContact CG-CG 4.42Å; P365-T388 VanDerWaalsContact CD-OG1 3.29Å; P365-T388 WeakPolarHBondContact CD-OG1 3.05Å; P365-T388 CarbonylContact O-C 3.3Å; P365-T388 WeakPolarHBondContact O-CB 3.44Å; P365-T388 PolarHBondContact O-OG1 2.89Å; P365-L389 HydrophobicContact CB-CD2 3.89Å; P365-L389 HydrophobicContact CB-CG 4.41Å; P365-L389 WeakPolarHBondContact O-CA 3.45Å; P365-L389 PolarHBondContact O-N 3.34Å; P365-L389 VanDerWaalsContact O-N 3.1Å
366	R	85.4	Confident	82.3	Confident	75 Å²	75	46 Å²	46	28%	0.283	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-36.6	169.8	-77.4	-172.5	-172.8	-126.1	20.7	112.3	L338 P340 L343 N364 E390 M391	L338-R366 HydrophobicContact CD1-CB 3.94Å; P340-R366 PolarHBondContact O-NH2 2.79Å; L343-R366 PolarHBondContact O-N 3.33Å; N364-R366 PolarHBondContact O-N 3.46Å; R366-E390 WeakPolarHBondContact CD-OE1 3.34Å; R366-E390 WeakPolarHBondContact CD-OE2 3.29Å; R366-E390 IonicContact CZ-OE1 2.86Å; R366-E390 IonicContact NE-OE1 3.14Å; R366-E390 IonicContact NH1-OE1 2.59Å; R366-E390 PolarHBondContact NH1-OE1 3.36Å; R366-E390 IonicContact NH1-OE2 2.68Å; R366-E390 PolarHBondContact NH1-OE2 3.13Å; R366-E390 PolarHBondContact O-N 3.05Å; R366-M391 PolarHBondContact O-N 3.21Å; R366-M391 VanDerWaalsContact O-N 3.15Å
367	K	84	Confident	82.8	Confident	61 Å²	61	45.7 Å²	45.7	27%	0.265	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	125.9	-177.4	-58.5	-166.1	171.5	-170.7	0	110.2	L338 L343 L344 I345 M391	L338-K367 HydrophobicContact CD1-CG 4.38Å; L343-K367 PolarHBondContact O-N 2.85Å; L344-K367 CarbonylContact C-O 3.57Å; L344-K367 WeakPolarHBondContact CA-O 2.95Å; L344-K367 HydrophobicContact CB-CB 4.32Å; L344-K367 HydrophobicContact CD1-CB 3.53Å; L344-K367 HydrophobicContact CD1-CD 4.35Å; L344-K367 HydrophobicContact CG-CB 4.49Å; I345-K367 PolarHBondContact N-O 3.14Å; K367-M391 WeakPolarHBondContact CA-O 3.33Å; K367-M391 HydrophobicContact CB-CB 4.31Å; K367-M391 HydrophobicContact CD-CB 4.39Å; K367-M391 HydrophobicContact CD-SD 3.88Å; K367-M391 HydrophobicContact CG-CB 3.96Å; K367-M391 HydrophobicContact CG-SD 4.34Å
368	L	88.5	Confident	83.5	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	120	177.6	176.1	60.7	0	0	0	109.9	I345 L370 L383 Y386 L389 M391 L392 H393	I345-L368 HydrophobicContact CB-CD1 3.85Å; I345-L368 HydrophobicContact CG2-CD1 3.83Å; L368-L370 HydrophobicContact CD1-CD1 4.14Å; L368-L370 HydrophobicContact CD1-CG 4.09Å; L368-L370 HydrophobicContact CD2-CD1 3.71Å; L368-L370 HydrophobicContact CG-CD1 3.81Å; L368-L370 HydrophobicContact CG-CG 4.12Å; L368-L383 HydrophobicContact CD2-CD2 4.46Å; L368-Y386 HydrophobicContact CD2-CD1 3.84Å; L368-Y386 HydrophobicContact CD2-CE1 3.65Å; L368-L389 HydrophobicContact CB-CD1 4.09Å; L368-L389 HydrophobicContact CB-CD2 3.77Å; L368-L389 HydrophobicContact CD2-CD1 4.3Å; L368-M391 PolarHBondContact N-O 2.69Å; L368-L392 HydrophobicContact CB-CD1 4.05Å; L368-L392 HydrophobicContact CD2-CD1 3.85Å; L368-L392 HydrophobicContact CG-CD1 4Å; L368-H393 PolarHBondContact O-N 3.43Å
369	I	82	Confident	83.9	Confident	23 Å²	23	45 Å²	45	12%	0.118	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	107.1	-178.6	-57.4	176	0	0	0	108.5	L344 I345 C347 Q348 A371 H393	L344-I369 HydrophobicContact CD1-CD1 4.06Å; L344-I369 HydrophobicContact CD1-CG1 4.49Å; I345-I369 PolarHBondContact O-N 2.63Å; C347-I369 CarbonylContact C-O 3.52Å; C347-I369 WeakPolarHBondContact CA-O 3.22Å; C347-I369 WeakPolarHBondContact CB-O 2.99Å; C347-I369 PolarHBondContact N-O 3.11Å; Q348-I369 HydrophobicContact CB-CG2 4.36Å; Q348-I369 PolarHBondContact N-O 2.67Å; I369-A371 HydrophobicContact CG2-CB 4.31Å; I369-H393 HydrophobicContact CG1-CB 4.38Å; I369-H393 HydrophobicContact CG2-CB 4.36Å
370	L	85.8	Confident	84.5	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.215	C	C	.	.			trans	-113.9	16.8	-178.6	-81.4	161.3	0	0	0	112	C347 I352 L355 L358 L368 N373 I375 H393 L394 N397	C347-L370 HydrophobicContact CB-CD2 3.35Å; C347-L370 HydrophobicContact CB-CG 3.99Å; I352-L370 HydrophobicContact CD1-CD2 3.81Å; L355-L370 HydrophobicContact CD1-CD1 4.16Å; L355-L370 HydrophobicContact CD2-CD1 3.93Å; L355-L370 HydrophobicContact CG-CD1 3.81Å; L358-L370 HydrophobicContact CD1-CD1 4.18Å; L358-L370 HydrophobicContact CD1-CD2 4.09Å; L368-L370 HydrophobicContact CD1-CD1 4.14Å; L368-L370 HydrophobicContact CD1-CG 4.09Å; L368-L370 HydrophobicContact CD2-CD1 3.71Å; L368-L370 HydrophobicContact CG-CD1 3.81Å; L368-L370 HydrophobicContact CG-CG 4.12Å; L370-N373 PolarHBondContact O-ND2 3.15Å; L370-I375 HydrophobicContact CB-CD1 4.08Å; L370-I375 HydrophobicContact CD1-CD1 4.41Å; L370-I375 HydrophobicContact CD2-CD1 4.2Å; L370-I375 HydrophobicContact CG-CD1 4.48Å; L370-H393 WeakPolarHBondContact CA-O 3.3Å; L370-H393 PolarHBondContact N-O 3.15Å; L370-L394 HydrophobicContact CB-CD2 3.87Å; L370-L394 HydrophobicContact CD1-CD2 3.81Å; L370-N397 PolarHBondContact O-ND2 3.32Å
371	A	77.8	Confident	84.9	Confident	9 Å²	9	42 Å²	42	7%	0.074	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	152.2	-177.9	0	0	0	0	0	113.9	Q348 E349 I369 N373 G395	Q348-A371 WeakPolarHBondContact CA-O 3.42Å; Q348-A371 HydrophobicContact CG-CB 4.1Å; Q348-A371 WeakPolarHBondContact CG-O 3.24Å; E349-A371 PolarHBondContact N-O 3.32Å; E349-A371 VanDerWaalsContact N-O 3.09Å; I369-A371 HydrophobicContact CG2-CB 4.31Å; A371-N373 VanDerWaalsContact C-N 3.28Å; A371-N373 PolarHBondContact O-N 3.25Å; A371-N373 PolarHBondContact O-ND2 3.19Å; A371-G395 VanDerWaalsContact CA-O 3.23Å; A371-G395 WeakPolarHBondContact CA-O 3.27Å
372	G	73.9	Confident	85.5	Confident	29 Å²	29	40.1 Å²	40.1	30%	0.299	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	26.9	171.4	0	0	0	0	0	114.7	E349 G395 N396	E349-G372 WeakPolarHBondContact CA-O 3.46Å; G372-G395 PolarHBondContact N-O 3.48Å; G372-N396 WeakPolarHBondContact CA-O 3.5Å; G372-N396 PolarHBondContact N-O 2.72Å; G372-N396 VanDerWaalsContact N-O 3.08Å
373	N	84.2	Confident	86.1	Confident	6 Å²	6	39.7 Å²	39.7	3%	0.032	21%	0.208	C	C	.	.	S	Bend	trans	-104.2	-170.3	176.4	-78	-73.1	0	0	0	110.9	C347 R350 N351 I352 L370 A371 I375 N397	C347-N373 PolarHBondContact O-ND2 3.34Å; R350-N373 PolarHBondContact N-OD1 3.28Å; N351-N373 PolarHBondContact N-OD1 2.8Å; N351-N373 VanDerWaalsContact N-OD1 3.09Å; I352-N373 HydrophobicContact CB-CB 4.25Å; I352-N373 PolarHBondContact N-OD1 3.07Å; L370-N373 PolarHBondContact O-ND2 3.15Å; A371-N373 VanDerWaalsContact C-N 3.28Å; A371-N373 PolarHBondContact O-N 3.25Å; A371-N373 PolarHBondContact O-ND2 3.19Å; N373-I375 HydrophobicContact CB-CD1 4.29Å; N373-I375 HydrophobicContact CB-CG1 4.22Å; N373-N397 WeakPolarHBondContact CA-OD1 3.36Å; N373-N397 WeakPolarHBondContact CB-OD1 3.49Å; N373-N397 PolarHBondContact N-OD1 3.34Å; N373-N397 PolarHBondContact O-OD1 3.24Å
374	I	88.9	Confident	86.5	Confident	51 Å²	51	38.3 Å²	38.3	26%	0.262	21%	0.206	S	C	.	.			trans	-116.3	29.8	-177.4	55.5	177	0	0	0	111.9	N351 I352 E353 H376	N351-I374 HydrophobicContact CB-CD1 4.24Å; I352-I374 CarbonylContact O-C 3.53Å; I352-I374 WeakPolarHBondContact O-CG1 3.28Å; I352-I374 PolarHBondContact O-N 2.97Å; I352-I374 VanDerWaalsContact O-N 3.13Å; E353-I374 HydrophobicContact CG-CD1 3.58Å; E353-I374 HydrophobicContact CG-CG1 3.81Å; I374-H376 PolarHBondContact O-N 3.19Å
375	I	92.2	Very high	86.8	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.209	C	C	.	.			trans	-64.8	117	179.9	-56.9	162.3	0	0	0	108.7	I352 L355 L370 N373 L394 N397 R398 I399	I352-I375 HydrophobicContact CG2-CG1 4.36Å; I352-I375 PolarHBondContact O-N 3.25Å; L355-I375 HydrophobicContact CD1-CD1 3.75Å; L355-I375 HydrophobicContact CD1-CG1 4.31Å; L355-I375 HydrophobicContact CD1-CG2 3.91Å; L370-I375 HydrophobicContact CB-CD1 4.08Å; L370-I375 HydrophobicContact CD1-CD1 4.41Å; L370-I375 HydrophobicContact CD2-CD1 4.2Å; L370-I375 HydrophobicContact CG-CD1 4.48Å; N373-I375 HydrophobicContact CB-CD1 4.29Å; N373-I375 HydrophobicContact CB-CG1 4.22Å; I375-L394 HydrophobicContact CD1-CD2 4Å; I375-N397 HydrophobicContact CB-CB 4.49Å; I375-N397 WeakPolarHBondContact CB-OD1 3.39Å; I375-N397 WeakPolarHBondContact CD1-OD1 3.28Å; I375-N397 WeakPolarHBondContact CG1-OD1 3.44Å; I375-N397 PolarHBondContact N-OD1 2.81Å; I375-R398 CarbonylContact O-C 3.51Å; I375-R398 WeakPolarHBondContact O-CA 3.47Å; I375-R398 PolarHBondContact O-N 3.08Å; I375-R398 VanDerWaalsContact O-N 3.07Å; I375-I399 HydrophobicContact CB-CG1 4.32Å; I375-I399 HydrophobicContact CG2-CD1 4.39Å; I375-I399 HydrophobicContact CG2-CG1 4.09Å; I375-I399 WeakPolarHBondContact O-CG1 3.37Å; I375-I399 PolarHBondContact O-N 2.98Å; I375-I399 VanDerWaalsContact O-N 3.12Å
376	H	91.3	Very high	86.9	Confident	100 Å²	100	39.9 Å²	39.9	46%	0.463	21%	0.21	S	C	.	.			trans	-92.2	-33.8	-175.7	-173.7	-69.3	0	0	0	113.3	I374 R398 I399 E400	I374-H376 PolarHBondContact O-N 3.19Å; H376-R398 WeakPolarHBondContact CA-O 3.49Å; H376-I399 WeakPolarHBondContact O-CA 3.16Å; H376-E400 IonicContact CE1-OE2 3.63Å; H376-E400 PolarHBondContact O-N 3.07Å
377	S	92.1	Very high	87	Confident	39 Å²	39	41.5 Å²	41.5	27%	0.273	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	144.1	-175.8	56.2	0	0	0	0	111.3	V401	S377-V401 CarbonylContact C-O 3.59Å; S377-V401 WeakPolarHBondContact CA-O 3.46Å
378	L	93.4	Very high	87.3	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	113.1	178.7	-178.7	69.3	0	0	0	110.6	L355 D382 L383 L394 V401 L402 E403 S406 F407	L355-L378 HydrophobicContact CD1-CD1 3.86Å; L355-L378 HydrophobicContact CD2-CD1 3.78Å; L355-L378 HydrophobicContact CG-CD1 4.38Å; L378-D382 HydrophobicContact CD1-CB 4.05Å; L378-L383 HydrophobicContact CD1-CD1 3.82Å; L378-L383 HydrophobicContact CD1-CG 4.27Å; L378-L383 HydrophobicContact CD2-CD1 3.83Å; L378-L383 HydrophobicContact CG-CD1 4.27Å; L378-L394 HydrophobicContact CD2-CD1 4.11Å; L378-V401 PolarHBondContact N-O 3.16Å; L378-L402 HydrophobicContact CB-CG 4.22Å; L378-L402 HydrophobicContact CD2-CD1 3.97Å; L378-L402 HydrophobicContact CD2-CG 4.1Å; L378-E403 PolarHBondContact O-N 2.88Å; L378-S406 PolarHBondContact O-OG 2.74Å; L378-F407 HydrophobicContact CD2-CD1 4.32Å; L378-F407 HydrophobicContact CD2-CE1 3.48Å; L378-F407 VanDerWaalsContact CD2-CE1 3.48Å; L378-F407 HydrophobicContact CD2-CZ 3.69Å
379	M	90.9	Very high	87.4	Confident	81 Å²	81	39.3 Å²	39.3	40%	0.399	21%	0.211	S	C	.	.			trans	-94.2	156.3	-174.3	-55.1	-60.8	-67.3	0	0	112.1	S381 D382 E403 S406	M379-S381 PolarHBondContact O-N 3.06Å; M379-S381 VanDerWaalsContact O-N 3.13Å; M379-D382 WeakPolarHBondContact CB-OD2 3.05Å; M379-D382 PolarHBondContact N-OD2 3.05Å; M379-D382 WeakPolarHBondContact O-CB 3.23Å; M379-D382 PolarHBondContact O-N 3.42Å; M379-E403 WeakPolarHBondContact CE-OE2 3.39Å; M379-S406 VanDerWaalsContact C-OG 3.24Å; M379-S406 PolarHBondContact O-OG 3.31Å
380	K	89	Confident	87.7	Confident	82 Å²	82	40.2 Å²	40.2	36%	0.357	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.1	180	-171.8	165.5	-163	148.7	0	114.4	V384 E403 E404 S406	K380-V384 VanDerWaalsContact O-CG2 3.3Å; K380-V384 WeakPolarHBondContact O-CG2 3.28Å; K380-E403 HydrophobicContact CB-CG 4.43Å; K380-E403 WeakPolarHBondContact CB-OE2 3.22Å; K380-E403 PolarHBondContact N-OE2 3.09Å; K380-E404 PolarHBondContact NZ-O 3.45Å; K380-S406 PolarHBondContact N-OG 3.03Å
381	S	87.3	Confident	87.8	Confident	80 Å²	80	41.2 Å²	41.2	56%	0.559	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-27.7	175.2	47.2	0	0	0	0	114.1	M379 L383 V384	M379-S381 PolarHBondContact O-N 3.06Å; M379-S381 VanDerWaalsContact O-N 3.13Å; S381-L383 PolarHBondContact O-N 3.06Å; S381-V384 WeakPolarHBondContact O-CG2 3.43Å
382	D	88.4	Confident	88.6	Confident	10 Å²	10	40.8 Å²	40.8	5%	0.053	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-33.9	-161.2	-72.8	-30.7	0	0	0	113.8	L355 S356 L378 M379	L355-D382 HydrophobicContact CB-CB 3.7Å; L355-D382 HydrophobicContact CD2-CB 4.25Å; S356-D382 PolarHBondContact OG-OD1 3.2Å; L378-D382 HydrophobicContact CD1-CB 4.05Å; M379-D382 WeakPolarHBondContact CB-OD2 3.05Å; M379-D382 PolarHBondContact N-OD2 3.05Å; M379-D382 WeakPolarHBondContact O-CB 3.23Å; M379-D382 PolarHBondContact O-N 3.42Å
383	L	89.6	Confident	89.3	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.01	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	10.6	-174.5	-70.8	165.2	0	0	0	113.6	L355 L368 L378 S381 E385 Y386 L392 F407 L410	L355-L383 HydrophobicContact CD2-CD1 4.39Å; L355-L383 HydrophobicContact CD2-CD2 3.6Å; L355-L383 HydrophobicContact CD2-CG 3.85Å; L368-L383 HydrophobicContact CD2-CD2 4.46Å; L378-L383 HydrophobicContact CD1-CD1 3.82Å; L378-L383 HydrophobicContact CD1-CG 4.27Å; L378-L383 HydrophobicContact CD2-CD1 3.83Å; L378-L383 HydrophobicContact CG-CD1 4.27Å; S381-L383 PolarHBondContact O-N 3.06Å; L383-E385 VanDerWaalsContact C-N 3.32Å; L383-E385 PolarHBondContact O-N 3.42Å; L383-Y386 HydrophobicContact CD2-CD2 4.14Å; L383-Y386 HydrophobicContact CD2-CG 4.08Å; L383-Y386 PolarHBondContact O-N 2.96Å; L383-Y386 VanDerWaalsContact O-N 3.11Å; L383-L392 HydrophobicContact CD1-CD2 3.86Å; L383-L392 HydrophobicContact CD2-CD2 4.28Å; L383-F407 HydrophobicContact CD1-CD1 3.78Å; L383-F407 HydrophobicContact CD1-CE1 3.77Å; L383-L410 HydrophobicContact CB-CD2 4.4Å; L383-L410 HydrophobicContact CD1-CD1 4.13Å
384	V	86.9	Confident	89.6	Confident	67 Å²	67	39.6 Å²	39.6	41%	0.406	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-56.6	-43.8	-175.8	170.2	0	0	0	0	112.5	K380 S381 Y386 N409	K380-V384 VanDerWaalsContact O-CG2 3.3Å; K380-V384 WeakPolarHBondContact O-CG2 3.28Å; S381-V384 WeakPolarHBondContact O-CG2 3.43Å; V384-Y386 VanDerWaalsContact C-N 3.32Å; V384-N409 WeakPolarHBondContact CA-ND2 3.49Å; V384-N409 PolarHBondContact O-ND2 3.17Å
385	E	85.2	Confident	89.4	Confident	115 Å²	115	37.2 Å²	37.2	54%	0.537	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-84.9	-4.9	-176.3	-61	-177.5	121.8	0	0	113	P361 L383 F387	P361-E385 HydrophobicContact CB-CB 4.39Å; P361-E385 WeakPolarHBondContact CB-OE2 3.5Å; P361-E385 WeakPolarHBondContact CG-OE2 3.08Å; L383-E385 VanDerWaalsContact C-N 3.32Å; L383-E385 PolarHBondContact O-N 3.42Å; E385-F387 WeakPolarHBondContact O-CD1 3.48Å; E385-F387 PolarHBondContact O-N 2.67Å
386	Y	88.3	Confident	88.9	Confident	7 Å²	7	42.1 Å²	42.1	3%	0.027	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-95.1	18	-174.6	-68.6	-96.4	0	0	0	113.9	P362 P365 L368 L383 V384 T388 L389 L410	P362-Y386 HydrophobicContact CG-CD1 4.11Å; P362-Y386 HydrophobicContact CG-CE1 3.54Å; P365-Y386 HydrophobicContact CB-CD1 3.98Å; P365-Y386 HydrophobicContact CB-CE1 4.49Å; P365-Y386 HydrophobicContact CG-CD1 3.85Å; P365-Y386 HydrophobicContact CG-CG 4.42Å; L368-Y386 HydrophobicContact CD2-CD1 3.84Å; L368-Y386 HydrophobicContact CD2-CE1 3.65Å; L383-Y386 HydrophobicContact CD2-CD2 4.14Å; L383-Y386 HydrophobicContact CD2-CG 4.08Å; L383-Y386 PolarHBondContact O-N 2.96Å; L383-Y386 VanDerWaalsContact O-N 3.11Å; V384-Y386 VanDerWaalsContact C-N 3.32Å; Y386-T388 PolarHBondContact O-N 2.66Å; Y386-L389 HydrophobicContact CD1-CD1 4.15Å; Y386-L389 HydrophobicContact CD1-CG 4.45Å; Y386-L389 HydrophobicContact CG-CD1 4.37Å; Y386-L389 WeakPolarHBondContact O-CB 3.4Å; Y386-L389 WeakPolarHBondContact O-CG 3.36Å; Y386-L389 PolarHBondContact O-N 3.37Å; Y386-L410 VanDerWaalsContact O-CD2 3.26Å; Y386-L410 WeakPolarHBondContact O-CD2 3.38Å
387	F	88	Confident	88.7	Confident	110 Å²	110	37.8 Å²	37.8	48%	0.482	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-6.4	-176.2	68.7	-86.4	0	0	0	116.8	E385 N409	E385-F387 WeakPolarHBondContact O-CD1 3.48Å; E385-F387 PolarHBondContact O-N 2.67Å; F387-N409 HydrophobicContact CB-CB 4.28Å
388	T	89.6	Confident	88.6	Confident	14 Å²	14	42.7 Å²	42.7	9%	0.086	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-2.5	175.5	34.9	0	0	0	0	114.4	P365 Y386	P365-T388 VanDerWaalsContact CD-OG1 3.29Å; P365-T388 WeakPolarHBondContact CD-OG1 3.05Å; P365-T388 CarbonylContact O-C 3.3Å; P365-T388 WeakPolarHBondContact O-CB 3.44Å; P365-T388 PolarHBondContact O-OG1 2.89Å; Y386-T388 PolarHBondContact O-N 2.66Å
389	L	91.3	Very high	88.7	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.21	C	C	.	.			trans	-62.4	136.8	-179	-74.7	178.8	0	0	0	112.9	P365 L368 Y386 L392 L410 R412 L413	P365-L389 HydrophobicContact CB-CD2 3.89Å; P365-L389 HydrophobicContact CB-CG 4.41Å; P365-L389 WeakPolarHBondContact O-CA 3.45Å; P365-L389 PolarHBondContact O-N 3.34Å; P365-L389 VanDerWaalsContact O-N 3.1Å; L368-L389 HydrophobicContact CB-CD1 4.09Å; L368-L389 HydrophobicContact CB-CD2 3.77Å; L368-L389 HydrophobicContact CD2-CD1 4.3Å; Y386-L389 HydrophobicContact CD1-CD1 4.15Å; Y386-L389 HydrophobicContact CD1-CG 4.45Å; Y386-L389 HydrophobicContact CG-CD1 4.37Å; Y386-L389 WeakPolarHBondContact O-CB 3.4Å; Y386-L389 WeakPolarHBondContact O-CG 3.36Å; Y386-L389 PolarHBondContact O-N 3.37Å; L389-L392 HydrophobicContact CD1-CB 4.35Å; L389-L392 HydrophobicContact CD1-CD1 4.25Å; L389-L410 HydrophobicContact CD1-CD1 4.45Å; L389-L410 HydrophobicContact CD1-CD2 4.42Å; L389-R412 CarbonylContact O-C 3.53Å; L389-R412 WeakPolarHBondContact O-CB 3.12Å; L389-L413 HydrophobicContact CB-CD1 3.78Å; L389-L413 WeakPolarHBondContact O-CA 3.41Å; L389-L413 PolarHBondContact O-N 2.65Å; L389-L413 VanDerWaalsContact O-N 3.1Å
390	E	88.1	Confident	88.8	Confident	42 Å²	42	43.6 Å²	43.6	20%	0.196	21%	0.213	C	C	.	.	S	Bend	trans	-106.9	-29.6	171.6	-66.8	154.7	-171.1	0	0	110.3	R366 Q414 K415	R366-E390 WeakPolarHBondContact CD-OE1 3.34Å; R366-E390 WeakPolarHBondContact CD-OE2 3.29Å; R366-E390 IonicContact CZ-OE1 2.86Å; R366-E390 IonicContact NE-OE1 3.14Å; R366-E390 IonicContact NH1-OE1 2.59Å; R366-E390 PolarHBondContact NH1-OE1 3.36Å; R366-E390 IonicContact NH1-OE2 2.68Å; R366-E390 PolarHBondContact NH1-OE2 3.13Å; R366-E390 PolarHBondContact O-N 3.05Å; E390-Q414 PolarHBondContact O-N 2.99Å; E390-K415 PolarHBondContact O-N 3.3Å; E390-K415 VanDerWaalsContact O-N 3.16Å
391	M	88.3	Confident	88.9	Confident	22 Å²	22	43.4 Å²	43.4	11%	0.108	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	129.3	179.2	-175.7	-169.8	-174.8	0	0	111.1	R366 K367 L368 K415 Y417	R366-M391 PolarHBondContact O-N 3.21Å; R366-M391 VanDerWaalsContact O-N 3.15Å; K367-M391 WeakPolarHBondContact CA-O 3.33Å; K367-M391 HydrophobicContact CB-CB 4.31Å; K367-M391 HydrophobicContact CD-CB 4.39Å; K367-M391 HydrophobicContact CD-SD 3.88Å; K367-M391 HydrophobicContact CG-CB 3.96Å; K367-M391 HydrophobicContact CG-SD 4.34Å; L368-M391 PolarHBondContact N-O 2.69Å; M391-K415 WeakPolarHBondContact CA-O 3.5Å; M391-K415 HydrophobicContact CG-CB 4.47Å; M391-Y417 HydrophobicContact CE-CD2 4.47Å; M391-Y417 HydrophobicContact CE-CE2 3.67Å; M391-Y417 HydrophobicContact CG-CE2 4.22Å
392	L	93.4	Very high	89.2	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	117.7	174.8	177	56.8	0	0	0	109.1	L368 L383 L389 L394 F407 L410 L413 K415 L416 Y417	L368-L392 HydrophobicContact CB-CD1 4.05Å; L368-L392 HydrophobicContact CD2-CD1 3.85Å; L368-L392 HydrophobicContact CG-CD1 4Å; L383-L392 HydrophobicContact CD1-CD2 3.86Å; L383-L392 HydrophobicContact CD2-CD2 4.28Å; L389-L392 HydrophobicContact CD1-CB 4.35Å; L389-L392 HydrophobicContact CD1-CD1 4.25Å; L392-L394 HydrophobicContact CD1-CD1 4.3Å; L392-L394 HydrophobicContact CD1-CG 4.06Å; L392-L394 HydrophobicContact CD2-CD1 3.91Å; L392-L394 HydrophobicContact CG-CD1 4Å; L392-L394 HydrophobicContact CG-CG 4.1Å; L392-F407 HydrophobicContact CD2-CD1 4.33Å; L392-F407 HydrophobicContact CD2-CE1 3.82Å; L392-L410 HydrophobicContact CD2-CD1 3.8Å; L392-L413 HydrophobicContact CB-CD1 3.72Å; L392-L413 HydrophobicContact CB-CD2 4.11Å; L392-K415 PolarHBondContact N-O 3.44Å; L392-L416 HydrophobicContact CB-CD1 4.16Å; L392-L416 HydrophobicContact CD2-CD1 4.06Å; L392-L416 HydrophobicContact CG-CD1 4.09Å; L392-L416 WeakPolarHBondContact O-CA 3.24Å; L392-Y417 PolarHBondContact O-N 3.11Å
393	H	88.3	Confident	89.4	Confident	10 Å²	10	43.6 Å²	43.6	5%	0.046	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	107	178.6	-165.6	-46.8	0	0	0	110.1	L368 I369 L370 G395 Y417 N419 L827	L368-H393 PolarHBondContact O-N 3.43Å; I369-H393 HydrophobicContact CG1-CB 4.38Å; I369-H393 HydrophobicContact CG2-CB 4.36Å; L370-H393 WeakPolarHBondContact CA-O 3.3Å; L370-H393 PolarHBondContact N-O 3.15Å; H393-G395 WeakPolarHBondContact CE1-CA 3.3Å; H393-G395 PolarHBondContact CE1-N 3.01Å; H393-G395 PolarHBondContact ND1-N 3.02Å; H393-G395 VanDerWaalsContact ND1-N 3.13Å; H393-Y417 HydrophobicContact CB-CD2 3.98Å; H393-Y417 HydrophobicContact CB-CG 4.39Å; H393-Y417 AromaticContact CD2-CD1 3.93Å; H393-Y417 AromaticContact CD2-CD2 3.65Å; H393-Y417 AromaticContact CD2-CG 3.5Å; H393-Y417 AromaticContact CG-CD2 3.95Å; H393-Y417 AromaticContact CG-CG 3.91Å; H393-Y417 AromaticContact NE2-CD1 3.87Å; H393-N419 PolarHBondContact CE1-OD1 3.13Å; H393-L827 VanDerWaalsContact NE2-C 3.3Å; H393-L827 PolarHBondContact NE2-N 2.99Å; H393-L827 PolarHBondContact NE2-O 3.14Å
394	L	92	Very high	89.5	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.237	C	C	.	.			trans	-113.2	15.1	177.8	-72.5	165.3	0	0	0	111.2	L355 L370 I375 L378 L392 N397 I399 F407 Y417 L418 N421	L355-L394 HydrophobicContact CD1-CD2 4.29Å; L370-L394 HydrophobicContact CB-CD2 3.87Å; L370-L394 HydrophobicContact CD1-CD2 3.81Å; I375-L394 HydrophobicContact CD1-CD2 4Å; L378-L394 HydrophobicContact CD2-CD1 4.11Å; L392-L394 HydrophobicContact CD1-CD1 4.3Å; L392-L394 HydrophobicContact CD1-CG 4.06Å; L392-L394 HydrophobicContact CD2-CD1 3.91Å; L392-L394 HydrophobicContact CG-CD1 4Å; L392-L394 HydrophobicContact CG-CG 4.1Å; L394-N397 WeakPolarHBondContact O-CB 3.16Å; L394-N397 PolarHBondContact O-ND2 3.27Å; L394-I399 HydrophobicContact CB-CD1 3.96Å; L394-I399 HydrophobicContact CD1-CD1 4.37Å; L394-I399 HydrophobicContact CD2-CD1 4.35Å; L394-I399 HydrophobicContact CG-CD1 4.47Å; L394-F407 HydrophobicContact CD1-CE1 4.48Å; L394-Y417 CarbonylContact C-O 3.38Å; L394-Y417 WeakPolarHBondContact CA-O 3.2Å; L394-Y417 WeakPolarHBondContact CB-O 3.49Å; L394-Y417 PolarHBondContact N-O 2.92Å; L394-L418 HydrophobicContact CB-CD2 4Å; L394-L418 HydrophobicContact CD1-CD2 4.02Å; L394-N421 PolarHBondContact O-ND2 2.68Å
395	G	84.6	Confident	89.6	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.218	C	C	.	.			trans	-65	161.4	-176.5	0	0	0	0	0	113.8	A371 G372 H393 N397 Y417 N419	A371-G395 VanDerWaalsContact CA-O 3.23Å; A371-G395 WeakPolarHBondContact CA-O 3.27Å; G372-G395 PolarHBondContact N-O 3.48Å; H393-G395 WeakPolarHBondContact CE1-CA 3.3Å; H393-G395 PolarHBondContact CE1-N 3.01Å; H393-G395 PolarHBondContact ND1-N 3.02Å; H393-G395 VanDerWaalsContact ND1-N 3.13Å; G395-N397 VanDerWaalsContact C-N 3.33Å; G395-N397 PolarHBondContact O-N 3.31Å; G395-N397 PolarHBondContact O-ND2 3.44Å; G395-Y417 PolarHBondContact N-O 3.17Å; G395-N419 CarbonylContact C-O 3.55Å; G395-N419 WeakPolarHBondContact CA-O 3.26Å; G395-N419 WeakPolarHBondContact CA-OD1 3.3Å
396	N	81.3	Confident	90	Very high	104 Å²	104	40.7 Å²	40.7	56%	0.556	19%	0.193	S	C	*	.	S	Bend	trans	50.7	51	179.2	-64.7	-19.8	0	0	0	112.4	G372 N419 G420	G372-N396 WeakPolarHBondContact CA-O 3.5Å; G372-N396 PolarHBondContact N-O 2.72Å; G372-N396 VanDerWaalsContact N-O 3.08Å; N396-N419 PolarHBondContact N-O 2.84Å; N396-G420 VanDerWaalsContact CA-O 3.22Å; N396-G420 WeakPolarHBondContact CA-O 3.45Å; N396-G420 PolarHBondContact N-O 3.04Å
397	N	87.2	Confident	90.3	Very high	8 Å²	8	40.3 Å²	40.3	4%	0.043	19%	0.192	C	C	.	.	S	Bend	trans	-120.9	-158.6	177.1	-91.3	-92.2	0	0	0	109.4	L370 N373 I375 L394 G395 I399 G420 N421	L370-N397 PolarHBondContact O-ND2 3.32Å; N373-N397 WeakPolarHBondContact CA-OD1 3.36Å; N373-N397 WeakPolarHBondContact CB-OD1 3.49Å; N373-N397 PolarHBondContact N-OD1 3.34Å; N373-N397 PolarHBondContact O-OD1 3.24Å; I375-N397 HydrophobicContact CB-CB 4.49Å; I375-N397 WeakPolarHBondContact CB-OD1 3.39Å; I375-N397 WeakPolarHBondContact CD1-OD1 3.28Å; I375-N397 WeakPolarHBondContact CG1-OD1 3.44Å; I375-N397 PolarHBondContact N-OD1 2.81Å; L394-N397 WeakPolarHBondContact O-CB 3.16Å; L394-N397 PolarHBondContact O-ND2 3.27Å; G395-N397 VanDerWaalsContact C-N 3.33Å; G395-N397 PolarHBondContact O-N 3.31Å; G395-N397 PolarHBondContact O-ND2 3.44Å; N397-I399 HydrophobicContact CB-CD1 4.34Å; N397-I399 HydrophobicContact CB-CG1 4.14Å; N397-G420 PolarHBondContact N-O 2.82Å; N397-N421 WeakPolarHBondContact CA-OD1 3.39Å; N397-N421 WeakPolarHBondContact CB-OD1 3.37Å
398	R	90.4	Very high	90.5	Very high	143 Å²	143	39.5 Å²	39.5	54%	0.54	19%	0.191	S	C	.	.			trans	-122.7	27.4	179	-60.9	-173.7	179.2	-154.1	-1.7	112	I375 H376 E400 N421	I375-R398 CarbonylContact O-C 3.51Å; I375-R398 WeakPolarHBondContact O-CA 3.47Å; I375-R398 PolarHBondContact O-N 3.08Å; I375-R398 VanDerWaalsContact O-N 3.07Å; H376-R398 WeakPolarHBondContact CA-O 3.49Å; R398-E400 PolarHBondContact O-N 2.9Å; R398-N421 PolarHBondContact N-OD1 3.35Å
399	I	94.7	Very high	90.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.204	C	C	.	.			trans	-69.9	106.8	-170.5	-57.2	169.9	0	0	0	109	I375 H376 L394 N397 L418 N421 H422 L423	I375-I399 HydrophobicContact CB-CG1 4.32Å; I375-I399 HydrophobicContact CG2-CD1 4.39Å; I375-I399 HydrophobicContact CG2-CG1 4.09Å; I375-I399 WeakPolarHBondContact O-CG1 3.37Å; I375-I399 PolarHBondContact O-N 2.98Å; I375-I399 VanDerWaalsContact O-N 3.12Å; H376-I399 WeakPolarHBondContact O-CA 3.16Å; L394-I399 HydrophobicContact CB-CD1 3.96Å; L394-I399 HydrophobicContact CD1-CD1 4.37Å; L394-I399 HydrophobicContact CD2-CD1 4.35Å; L394-I399 HydrophobicContact CG-CD1 4.47Å; N397-I399 HydrophobicContact CB-CD1 4.34Å; N397-I399 HydrophobicContact CB-CG1 4.14Å; I399-L418 HydrophobicContact CD1-CD2 4.29Å; I399-N421 HydrophobicContact CB-CB 4.34Å; I399-N421 VanDerWaalsContact CB-OD1 3.28Å; I399-N421 WeakPolarHBondContact CB-OD1 3.36Å; I399-N421 VanDerWaalsContact CG1-OD1 3.3Å; I399-N421 WeakPolarHBondContact CG1-OD1 3.5Å; I399-N421 PolarHBondContact N-OD1 2.88Å; I399-H422 CarbonylContact O-C 3.26Å; I399-H422 VanDerWaalsContact O-C 3.23Å; I399-H422 WeakPolarHBondContact O-CA 3.43Å; I399-H422 PolarHBondContact O-N 3.09Å; I399-L423 HydrophobicContact CG2-CD2 4.01Å; I399-L423 PolarHBondContact O-N 2.97Å; I399-L423 VanDerWaalsContact O-N 3.15Å
400	E	92.3	Very high	90.5	Very high	100 Å²	100	42.1 Å²	42.1	47%	0.467	20%	0.204	S	C	.	.			trans	-96.1	-38.5	171.3	-176.5	-178.4	-173.2	0	0	110.8	H376 R398 H422	H376-E400 IonicContact CE1-OE2 3.63Å; H376-E400 PolarHBondContact O-N 3.07Å; R398-E400 PolarHBondContact O-N 2.9Å; E400-H422 HydrophobicContact CB-CB 4.34Å
401	V	90.9	Very high	90.6	Very high	78 Å²	78	43.1 Å²	43.1	47%	0.473	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128.8	-171.3	-177.5	0	0	0	0	111.4	S377 L378	S377-V401 CarbonylContact C-O 3.59Å; S377-V401 WeakPolarHBondContact CA-O 3.46Å; L378-V401 PolarHBondContact N-O 3.16Å
402	L	94	Very high	90.8	Very high	16 Å²	16	48.9 Å²	48.9	8%	0.084	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	117.6	176.7	-164.1	151.3	0	0	0	109.2	L378 F407 L418 M430	L378-L402 HydrophobicContact CB-CG 4.22Å; L378-L402 HydrophobicContact CD2-CD1 3.97Å; L378-L402 HydrophobicContact CD2-CG 4.1Å; L402-F407 HydrophobicContact CD1-CE2 3.73Å; L402-F407 HydrophobicContact CD1-CZ 3.76Å; L402-F407 HydrophobicContact CD2-CD2 4.44Å; L402-F407 HydrophobicContact CD2-CE2 4.07Å; L402-F407 HydrophobicContact CG-CE2 4.49Å; L402-L418 HydrophobicContact CD1-CD1 4.46Å; L402-L418 HydrophobicContact CD1-CD2 4.45Å; L402-M430 HydrophobicContact CB-CE 4Å; L402-M430 HydrophobicContact CD2-CB 3.79Å; L402-M430 HydrophobicContact CD2-CG 3.97Å
403	E	92.6	Very high	90.9	Very high	78 Å²	78	48.9 Å²	48.9	36%	0.364	23%	0.234	S	C	.	.			trans	-70.6	148.9	-174.3	-160.8	-169.9	160.2	0	0	112.5	L378 M379 K380 G405 S406	L378-E403 PolarHBondContact O-N 2.88Å; M379-E403 WeakPolarHBondContact CE-OE2 3.39Å; K380-E403 HydrophobicContact CB-CG 4.43Å; K380-E403 WeakPolarHBondContact CB-OE2 3.22Å; K380-E403 PolarHBondContact N-OE2 3.09Å; E403-G405 PolarHBondContact O-N 3.37Å; E403-G405 VanDerWaalsContact O-N 3.11Å; E403-S406 WeakPolarHBondContact CB-OG 3.31Å; E403-S406 PolarHBondContact N-OG 3.18Å; E403-S406 WeakPolarHBondContact O-CB 3.1Å; E403-S406 PolarHBondContact O-N 3.49Å; E403-S406 PolarHBondContact O-OG 3.03Å; E403-S406 VanDerWaalsContact O-OG 3.08Å
404	E	91.7	Very high	90.9	Very high	118 Å²	118	52.3 Å²	52.3	55%	0.551	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	113.8	-178.5	-61.9	-157.8	144	0	0	112.7	K380 S427 G429	K380-E404 PolarHBondContact NZ-O 3.45Å; E404-S427 PolarHBondContact OE1-OG 3.3Å; E404-G429 CarbonylContact C-O 2.99Å; E404-G429 WeakPolarHBondContact CA-O 3.39Å
405	G	90.4	Very high	90.6	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.01	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	22.3	-173	0	0	0	0	0	114.6	E403 F407 M408 G429	E403-G405 PolarHBondContact O-N 3.37Å; E403-G405 VanDerWaalsContact O-N 3.11Å; G405-F407 PolarHBondContact O-N 3.14Å; G405-F407 VanDerWaalsContact O-N 3.17Å; G405-M408 WeakPolarHBondContact O-CB 3.09Å; G405-M408 PolarHBondContact O-N 3.11Å; G405-G429 PolarHBondContact N-O 2.87Å
406	S	92.3	Very high	91.1	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.021	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-24.2	167	-70.9	0	0	0	0	113.8	L378 M379 K380 E403	L378-S406 PolarHBondContact O-OG 2.74Å; M379-S406 VanDerWaalsContact C-OG 3.24Å; M379-S406 PolarHBondContact O-OG 3.31Å; K380-S406 PolarHBondContact N-OG 3.03Å; E403-S406 WeakPolarHBondContact CB-OG 3.31Å; E403-S406 PolarHBondContact N-OG 3.18Å; E403-S406 WeakPolarHBondContact O-CB 3.1Å; E403-S406 PolarHBondContact O-N 3.49Å; E403-S406 PolarHBondContact O-OG 3.03Å; E403-S406 VanDerWaalsContact O-OG 3.08Å
407	F	94.9	Very high	91.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	9.9	173.4	-55.5	-51.3	0	0	0	114.7	L378 L383 L392 L394 L402 G405 N409 L410 L416 L418 M430 F431 L432 L434	L378-F407 HydrophobicContact CD2-CD1 4.32Å; L378-F407 HydrophobicContact CD2-CE1 3.48Å; L378-F407 VanDerWaalsContact CD2-CE1 3.48Å; L378-F407 HydrophobicContact CD2-CZ 3.69Å; L383-F407 HydrophobicContact CD1-CD1 3.78Å; L383-F407 HydrophobicContact CD1-CE1 3.77Å; L392-F407 HydrophobicContact CD2-CD1 4.33Å; L392-F407 HydrophobicContact CD2-CE1 3.82Å; L394-F407 HydrophobicContact CD1-CE1 4.48Å; L402-F407 HydrophobicContact CD1-CE2 3.73Å; L402-F407 HydrophobicContact CD1-CZ 3.76Å; L402-F407 HydrophobicContact CD2-CD2 4.44Å; L402-F407 HydrophobicContact CD2-CE2 4.07Å; L402-F407 HydrophobicContact CG-CE2 4.49Å; G405-F407 PolarHBondContact O-N 3.14Å; G405-F407 VanDerWaalsContact O-N 3.17Å; F407-N409 PolarHBondContact O-N 3Å; F407-L410 HydrophobicContact CD1-CD1 3.82Å; F407-L410 WeakPolarHBondContact O-CB 3.46Å; F407-L410 PolarHBondContact O-N 3.35Å; F407-L416 HydrophobicContact CD2-CD2 4.19Å; F407-L416 HydrophobicContact CE1-CD1 4.22Å; F407-L416 HydrophobicContact CE1-CD2 4.44Å; F407-L416 HydrophobicContact CE2-CD2 3.7Å; F407-L416 HydrophobicContact CZ-CD1 4.01Å; F407-L416 HydrophobicContact CZ-CD2 3.84Å; F407-L418 HydrophobicContact CE2-CD1 4.27Å; F407-L418 HydrophobicContact CZ-CD1 4.22Å; F407-M430 WeakPolarHBondContact CD2-O 3.44Å; F407-F431 HydrophobicContact CD2-CD1 4.43Å; F407-F431 HydrophobicContact CE2-CD1 4.43Å; F407-L432 CarbonylContact C-O 3.12Å; F407-L434 HydrophobicContact CB-CD1 4.01Å; F407-L434 HydrophobicContact CB-CD2 3.76Å; F407-L434 HydrophobicContact CB-CG 3.72Å; F407-L434 HydrophobicContact CD2-CD1 3.73Å; F407-L434 HydrophobicContact CD2-CG 4.41Å; F407-L434 HydrophobicContact CE2-CD1 4.49Å; F407-L434 HydrophobicContact CG-CD1 4.06Å; F407-L434 HydrophobicContact CG-CD2 4.26Å; F407-L434 HydrophobicContact CG-CG 4.29Å
408	M	91.9	Very high	91.9	Very high	93 Å²	93	50.8 Å²	50.8	46%	0.458	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.1	-168.2	-169.7	168	-142.6	0	0	114.7	G405 L432	G405-M408 WeakPolarHBondContact O-CB 3.09Å; G405-M408 PolarHBondContact O-N 3.11Å; M408-L432 VanDerWaalsContact CA-O 3.24Å; M408-L432 WeakPolarHBondContact CA-O 3.32Å; M408-L432 PolarHBondContact N-O 2.88Å
409	N	88.4	Confident	91.8	Very high	69 Å²	69	44.3 Å²	44.3	37%	0.369	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-12.4	178.1	-71.3	9	0	0	0	113.9	V384 F387 F407 T411	V384-N409 WeakPolarHBondContact CA-ND2 3.49Å; V384-N409 PolarHBondContact O-ND2 3.17Å; F387-N409 HydrophobicContact CB-CB 4.28Å; F407-N409 PolarHBondContact O-N 3Å; N409-T411 PolarHBondContact O-N 3.33Å
410	L	93	Very high	91.2	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.221	C	C	.	.			trans	-82	46.4	-170.9	-58.3	-163.8	0	0	0	113.1	L383 Y386 L389 L392 F407 R412 L413 L434	L383-L410 HydrophobicContact CB-CD2 4.4Å; L383-L410 HydrophobicContact CD1-CD1 4.13Å; Y386-L410 VanDerWaalsContact O-CD2 3.26Å; Y386-L410 WeakPolarHBondContact O-CD2 3.38Å; L389-L410 HydrophobicContact CD1-CD1 4.45Å; L389-L410 HydrophobicContact CD1-CD2 4.42Å; L392-L410 HydrophobicContact CD2-CD1 3.8Å; F407-L410 HydrophobicContact CD1-CD1 3.82Å; F407-L410 WeakPolarHBondContact O-CB 3.46Å; F407-L410 PolarHBondContact O-N 3.35Å; L410-R412 PolarHBondContact O-N 3.31Å; L410-L413 HydrophobicContact CB-CB 4.13Å; L410-L413 HydrophobicContact CD1-CD2 4.1Å; L410-L413 WeakPolarHBondContact O-CB 3.46Å; L410-L413 PolarHBondContact O-N 2.13Å; L410-L434 HydrophobicContact CB-CD2 4.1Å
411	T	90.9	Very high	91.2	Very high	63 Å²	63	40.5 Å²	40.5	39%	0.387	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-11	-175.5	56.6	0	0	0	0	115.2	N409 G433 N436	N409-T411 PolarHBondContact O-N 3.33Å; T411-G433 WeakPolarHBondContact CA-O 3.24Å; T411-N436 PolarHBondContact O-ND2 2.88Å
412	R	92.1	Very high	91.3	Very high	143 Å²	143	41.3 Å²	41.3	54%	0.54	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-3.5	177.6	-65.9	-173.5	179.4	-170.4	-0.2	114.3	L389 L410 Q414	L389-R412 CarbonylContact O-C 3.53Å; L389-R412 WeakPolarHBondContact O-CB 3.12Å; L410-R412 PolarHBondContact O-N 3.31Å; R412-Q414 PolarHBondContact O-N 3.43Å
413	L	94.9	Very high	91.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.195	C	C	.	.			trans	-67.5	126.5	-174.2	-160	74.9	0	0	0	110.1	L389 L392 L410 L416 L434 N436 L437	L389-L413 HydrophobicContact CB-CD1 3.78Å; L389-L413 WeakPolarHBondContact O-CA 3.41Å; L389-L413 PolarHBondContact O-N 2.65Å; L389-L413 VanDerWaalsContact O-N 3.1Å; L392-L413 HydrophobicContact CB-CD1 3.72Å; L392-L413 HydrophobicContact CB-CD2 4.11Å; L410-L413 HydrophobicContact CB-CB 4.13Å; L410-L413 HydrophobicContact CD1-CD2 4.1Å; L410-L413 WeakPolarHBondContact O-CB 3.46Å; L410-L413 PolarHBondContact O-N 2.13Å; L413-L416 HydrophobicContact CD2-CB 3.91Å; L413-L416 HydrophobicContact CD2-CD1 4.2Å; L413-L416 HydrophobicContact CD2-CD2 4.4Å; L413-L416 HydrophobicContact CD2-CG 4.4Å; L413-L434 HydrophobicContact CB-CD2 3.92Å; L413-L434 HydrophobicContact CD2-CD2 3.59Å; L413-L434 HydrophobicContact CG-CD2 4.37Å; L413-N436 CarbonylContact O-C 3.1Å; L413-L437 HydrophobicContact CB-CD1 4.31Å; L413-L437 HydrophobicContact CD2-CD1 3.99Å; L413-L437 HydrophobicContact CG-CD1 4Å; L413-L437 WeakPolarHBondContact O-CA 3.06Å; L413-L437 PolarHBondContact O-N 3.48Å
414	Q	88.9	Confident	91.4	Very high	81 Å²	81	39.7 Å²	39.7	38%	0.379	20%	0.195	S	C	.	.			trans	-106.2	-33.9	178.2	-66.8	-179.3	-71.4	0	0	112.1	E390 R412 E438 Y439	E390-Q414 PolarHBondContact O-N 2.99Å; R412-Q414 PolarHBondContact O-N 3.43Å; Q414-E438 PolarHBondContact NE2-OE1 2.8Å; Q414-E438 VanDerWaalsContact NE2-OE1 3.1Å; Q414-E438 PolarHBondContact O-N 2.85Å; Q414-Y439 PolarHBondContact O-N 3.04Å
415	K	84.5	Confident	91.5	Very high	67 Å²	67	38 Å²	38	29%	0.291	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	125.8	179.5	-52.2	-154.8	178.5	-152	0	111.5	E390 M391 L392 Y417 Y439	E390-K415 PolarHBondContact O-N 3.3Å; E390-K415 VanDerWaalsContact O-N 3.16Å; M391-K415 WeakPolarHBondContact CA-O 3.5Å; M391-K415 HydrophobicContact CG-CB 4.47Å; L392-K415 PolarHBondContact N-O 3.44Å; K415-Y417 HydrophobicContact CB-CE2 3.94Å; K415-Y439 HydrophobicContact CD-CD2 3.93Å; K415-Y439 HydrophobicContact CD-CE2 4.48Å; K415-Y439 HydrophobicContact CD-CG 4.12Å; K415-Y439 VanDerWaalsContact CE-CD2 3.48Å; K415-Y439 HydrophobicContact CG-CD2 3.76Å; K415-Y439 HydrophobicContact CG-CG 4.15Å
416	L	95.6	Very high	91.8	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	118.5	178.7	176.2	56	0	0	0	109.7	L392 F407 L413 L418 L434 L437 Y439 L440 Y441	L392-L416 HydrophobicContact CB-CD1 4.16Å; L392-L416 HydrophobicContact CD2-CD1 4.06Å; L392-L416 HydrophobicContact CG-CD1 4.09Å; L392-L416 WeakPolarHBondContact O-CA 3.24Å; F407-L416 HydrophobicContact CD2-CD2 4.19Å; F407-L416 HydrophobicContact CE1-CD1 4.22Å; F407-L416 HydrophobicContact CE1-CD2 4.44Å; F407-L416 HydrophobicContact CE2-CD2 3.7Å; F407-L416 HydrophobicContact CZ-CD1 4.01Å; F407-L416 HydrophobicContact CZ-CD2 3.84Å; L413-L416 HydrophobicContact CD2-CB 3.91Å; L413-L416 HydrophobicContact CD2-CD1 4.2Å; L413-L416 HydrophobicContact CD2-CD2 4.4Å; L413-L416 HydrophobicContact CD2-CG 4.4Å; L416-L418 HydrophobicContact CD1-CD1 4.31Å; L416-L418 HydrophobicContact CD1-CG 4.09Å; L416-L418 HydrophobicContact CD2-CD1 3.93Å; L416-L418 HydrophobicContact CG-CD1 4.03Å; L416-L418 HydrophobicContact CG-CG 4.13Å; L416-L434 HydrophobicContact CD2-CD1 3.76Å; L416-L437 HydrophobicContact CB-CD1 3.69Å; L416-L437 HydrophobicContact CB-CD2 4.14Å; L416-Y439 PolarHBondContact N-O 3.05Å; L416-Y439 VanDerWaalsContact N-O 3.13Å; L416-L440 HydrophobicContact CB-CD1 4.19Å; L416-L440 HydrophobicContact CD2-CD1 3.96Å; L416-L440 HydrophobicContact CG-CD1 4.04Å; L416-Y441 PolarHBondContact O-N 2.89Å
417	Y	90.8	Very high	91.9	Very high	13 Å²	13	38.5 Å²	38.5	5%	0.051	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	117.2	175.4	-51	-104	0	0	0	109.8	M391 L392 H393 L394 G395 K415 Y441	M391-Y417 HydrophobicContact CE-CD2 4.47Å; M391-Y417 HydrophobicContact CE-CE2 3.67Å; M391-Y417 HydrophobicContact CG-CE2 4.22Å; L392-Y417 PolarHBondContact O-N 3.11Å; H393-Y417 HydrophobicContact CB-CD2 3.98Å; H393-Y417 HydrophobicContact CB-CG 4.39Å; H393-Y417 AromaticContact CD2-CD1 3.93Å; H393-Y417 AromaticContact CD2-CD2 3.65Å; H393-Y417 AromaticContact CD2-CG 3.5Å; H393-Y417 AromaticContact CG-CD2 3.95Å; H393-Y417 AromaticContact CG-CG 3.91Å; H393-Y417 AromaticContact NE2-CD1 3.87Å; L394-Y417 CarbonylContact C-O 3.38Å; L394-Y417 WeakPolarHBondContact CA-O 3.2Å; L394-Y417 WeakPolarHBondContact CB-O 3.49Å; L394-Y417 PolarHBondContact N-O 2.92Å; G395-Y417 PolarHBondContact N-O 3.17Å; K415-Y417 HydrophobicContact CB-CE2 3.94Å; Y417-Y441 HydrophobicContact CD1-CD1 4.41Å; Y417-Y441 AromaticContact CD1-CD2 3.39Å; Y417-Y441 HydrophobicContact CD1-CD2 3.39Å; Y417-Y441 AromaticContact CD1-CE2 3.91Å; Y417-Y441 HydrophobicContact CD1-CE2 3.91Å; Y417-Y441 AromaticContact CD1-CG 3.68Å; Y417-Y441 HydrophobicContact CD1-CG 3.68Å; Y417-Y441 HydrophobicContact CE1-CD1 4.4Å; Y417-Y441 AromaticContact CE1-CD2 3.4Å; Y417-Y441 HydrophobicContact CE1-CD2 3.4Å; Y417-Y441 VanDerWaalsContact CE1-CD2 3.4Å; Y417-Y441 HydrophobicContact CE1-CE1 4.39Å; Y417-Y441 AromaticContact CE1-CE2 3.38Å; Y417-Y441 HydrophobicContact CE1-CE2 3.38Å; Y417-Y441 AromaticContact CE1-CG 3.94Å; Y417-Y441 HydrophobicContact CE1-CG 3.94Å; Y417-Y441 AromaticContact CE1-CZ 3.91Å; Y417-Y441 HydrophobicContact CE2-CE2 4.48Å; Y417-Y441 AromaticContact CG-CD2 3.98Å; Y417-Y441 HydrophobicContact CG-CD2 3.98Å; Y417-Y441 HydrophobicContact CG-CG 4.48Å; Y417-Y441 AromaticContact CZ-CD2 4Å; Y417-Y441 AromaticContact CZ-CE2 3.71Å
418	L	94.5	Very high	91.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.206	C	C	.	.			trans	-125.4	14.3	175.6	-74	167.1	0	0	0	111	L394 I399 L402 F407 L416 N421 L423 F431 Y441 L442 N445	L394-L418 HydrophobicContact CB-CD2 4Å; L394-L418 HydrophobicContact CD1-CD2 4.02Å; I399-L418 HydrophobicContact CD1-CD2 4.29Å; L402-L418 HydrophobicContact CD1-CD1 4.46Å; L402-L418 HydrophobicContact CD1-CD2 4.45Å; F407-L418 HydrophobicContact CE2-CD1 4.27Å; F407-L418 HydrophobicContact CZ-CD1 4.22Å; L416-L418 HydrophobicContact CD1-CD1 4.31Å; L416-L418 HydrophobicContact CD1-CG 4.09Å; L416-L418 HydrophobicContact CD2-CD1 3.93Å; L416-L418 HydrophobicContact CG-CD1 4.03Å; L416-L418 HydrophobicContact CG-CG 4.13Å; L418-N421 WeakPolarHBondContact O-CB 3.42Å; L418-N421 PolarHBondContact O-ND2 3.48Å; L418-N421 VanDerWaalsContact O-ND2 3.16Å; L418-L423 HydrophobicContact CB-CD1 4.29Å; L418-L423 HydrophobicContact CD1-CD1 4.49Å; L418-F431 HydrophobicContact CD1-CE1 4.28Å; L418-Y441 CarbonylContact C-O 3.16Å; L418-Y441 WeakPolarHBondContact CA-O 3.11Å; L418-Y441 PolarHBondContact N-O 3.37Å; L418-L442 HydrophobicContact CB-CD2 3.7Å; L418-L442 HydrophobicContact CD1-CD2 4.01Å; L418-N445 PolarHBondContact O-ND2 3.16Å
419	N	89.4	Confident	91.9	Very high	7 Å²	7	38.4 Å²	38.4	4%	0.037	19%	0.188	C	C	.	.			trans	-63.8	156.6	179.5	58.5	-13.7	0	0	0	113.1	H393 G395 N396 N421 Y441 E443	H393-N419 PolarHBondContact CE1-OD1 3.13Å; G395-N419 CarbonylContact C-O 3.55Å; G395-N419 WeakPolarHBondContact CA-O 3.26Å; G395-N419 WeakPolarHBondContact CA-OD1 3.3Å; N396-N419 PolarHBondContact N-O 2.84Å; N419-N421 VanDerWaalsContact C-N 3.34Å; N419-N421 PolarHBondContact O-N 2.7Å; N419-N421 PolarHBondContact O-ND2 3Å; N419-Y441 PolarHBondContact N-O 2.92Å; N419-E443 CarbonylContact C-O 3.48Å; N419-E443 WeakPolarHBondContact CA-O 3.37Å; N419-E443 HydrophobicContact CB-CG 3.84Å; N419-E443 WeakPolarHBondContact CB-O 3.42Å; N419-E443 WeakPolarHBondContact CB-OE1 3.27Å; N419-E443 VanDerWaalsContact CG-OE1 3.32Å; N419-E443 PolarHBondContact ND2-OE1 3.31Å
420	G	80.9	Confident	92.2	Very high	16 Å²	16	35.8 Å²	35.8	17%	0.165	17%	0.174	C	C	.	.	S	Bend	trans	59.9	40.4	178.5	0	0	0	0	0	113.9	N396 N397 E443 Y444	N396-G420 VanDerWaalsContact CA-O 3.22Å; N396-G420 WeakPolarHBondContact CA-O 3.45Å; N396-G420 PolarHBondContact N-O 3.04Å; N397-G420 PolarHBondContact N-O 2.82Å; G420-E443 PolarHBondContact N-O 2.87Å; G420-Y444 WeakPolarHBondContact CA-O 3.28Å; G420-Y444 PolarHBondContact N-O 3.49Å
421	N	91.6	Very high	92.3	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.021	17%	0.174	C	C	.	.	S	Bend	trans	-121.3	-165	-179.5	-86.5	-80.6	0	0	0	110.8	L394 N397 R398 I399 L418 N419 Y444 N445	L394-N421 PolarHBondContact O-ND2 2.68Å; N397-N421 WeakPolarHBondContact CA-OD1 3.39Å; N397-N421 WeakPolarHBondContact CB-OD1 3.37Å; R398-N421 PolarHBondContact N-OD1 3.35Å; I399-N421 HydrophobicContact CB-CB 4.34Å; I399-N421 VanDerWaalsContact CB-OD1 3.28Å; I399-N421 WeakPolarHBondContact CB-OD1 3.36Å; I399-N421 VanDerWaalsContact CG1-OD1 3.3Å; I399-N421 WeakPolarHBondContact CG1-OD1 3.5Å; I399-N421 PolarHBondContact N-OD1 2.88Å; L418-N421 WeakPolarHBondContact O-CB 3.42Å; L418-N421 PolarHBondContact O-ND2 3.48Å; L418-N421 VanDerWaalsContact O-ND2 3.16Å; N419-N421 VanDerWaalsContact C-N 3.34Å; N419-N421 PolarHBondContact O-N 2.7Å; N419-N421 PolarHBondContact O-ND2 3Å; N421-Y444 PolarHBondContact N-O 3.36Å; N421-N445 WeakPolarHBondContact CA-OD1 3.33Å; N421-N445 WeakPolarHBondContact CB-OD1 3.27Å; N421-N445 PolarHBondContact O-OD1 2.85Å
422	H	93	Very high	92.4	Very high	96 Å²	96	35.5 Å²	35.5	44%	0.444	17%	0.17	S	C	.	.			trans	-120.4	24.5	-175.2	-59.3	-17.4	0	0	0	112	I399 E400 T424 N445	I399-H422 CarbonylContact O-C 3.26Å; I399-H422 VanDerWaalsContact O-C 3.23Å; I399-H422 WeakPolarHBondContact O-CA 3.43Å; I399-H422 PolarHBondContact O-N 3.09Å; E400-H422 HydrophobicContact CB-CB 4.34Å; H422-T424 PolarHBondContact O-N 2.94Å; H422-N445 PolarHBondContact N-OD1 3.28Å
423	L	95.6	Very high	92.3	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.147	C	C	.	.			trans	-63.4	127.5	178	-61.9	173.7	0	0	0	109.7	I399 L418 M430 L442 N445 A446 I447	I399-L423 HydrophobicContact CG2-CD2 4.01Å; I399-L423 PolarHBondContact O-N 2.97Å; I399-L423 VanDerWaalsContact O-N 3.15Å; L418-L423 HydrophobicContact CB-CD1 4.29Å; L418-L423 HydrophobicContact CD1-CD1 4.49Å; L423-M430 HydrophobicContact CD2-CE 4.22Å; L423-L442 HydrophobicContact CD1-CD2 3.74Å; L423-N445 WeakPolarHBondContact CB-OD1 3.27Å; L423-N445 PolarHBondContact N-OD1 3.34Å; L423-N445 VanDerWaalsContact N-OD1 3.13Å; L423-A446 CarbonylContact O-C 3.56Å; L423-A446 WeakPolarHBondContact O-CA 3.05Å; L423-A446 PolarHBondContact O-N 3.07Å; L423-A446 VanDerWaalsContact O-N 3.11Å; L423-I447 HydrophobicContact CB-CG1 4.11Å; L423-I447 WeakPolarHBondContact O-CA 3.25Å; L423-I447 VanDerWaalsContact O-CG1 3.28Å; L423-I447 WeakPolarHBondContact O-CG1 3.49Å; L423-I447 PolarHBondContact O-N 3.04Å
424	T	93.8	Very high	92.3	Very high	58 Å²	58	29 Å²	29	36%	0.356	15%	0.147	S	C	.	.			trans	-106.9	-21	-178.2	58.3	0	0	0	0	114	H422 A446 K448	H422-T424 PolarHBondContact O-N 2.94Å; T424-A446 WeakPolarHBondContact CA-O 3.49Å; T424-A446 HydrophobicContact CG2-CB 4.25Å; T424-K448 PolarHBondContact O-N 3.44Å
425	K	94.4	Very high	92.5	Very high	84 Å²	84	29.8 Å²	29.8	37%	0.365	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	144.4	-176.7	-179.4	164.6	-174.8	155.5	0	111	E449	K425-E449 VanDerWaalsContact CA-O 3.3Å; K425-E449 WeakPolarHBondContact CA-O 3.49Å; K425-E449 HydrophobicContact CD-CB 4.46Å; K425-E449 VanDerWaalsContact CE-OE1 3.24Å; K425-E449 WeakPolarHBondContact CE-OE1 3.15Å; K425-E449 VanDerWaalsContact CE-OE2 3.29Å; K425-E449 WeakPolarHBondContact CE-OE2 3.49Å; K425-E449 HydrophobicContact CG-CB 4.3Å; K425-E449 IonicContact NZ-OE1 3.43Å; K425-E449 PolarHBondContact NZ-OE1 3.31Å; K425-E449 IonicContact NZ-OE2 3.65Å; K425-E449 PolarHBondContact NZ-OE2 3.19Å
426	L	96.4	Very high	92.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	143.6	173.8	-54.6	-175.4	0	0	0	112.4	M430 F431 L442 I447 E449 I450 L451 T454 F455 L466	L426-M430 HydrophobicContact CD2-CE 3.95Å; L426-F431 HydrophobicContact CB-CE2 4.35Å; L426-F431 HydrophobicContact CD1-CE2 4.42Å; L426-F431 HydrophobicContact CD2-CE2 4.34Å; L426-F431 HydrophobicContact CD2-CZ 4.17Å; L426-L442 HydrophobicContact CD1-CD1 3.82Å; L426-L442 HydrophobicContact CD2-CD2 4.45Å; L426-I447 HydrophobicContact CD1-CD1 4.21Å; L426-I447 HydrophobicContact CD1-CG2 4.5Å; L426-I447 HydrophobicContact CD2-CD1 3.99Å; L426-I447 HydrophobicContact CD2-CG1 4.46Å; L426-I447 HydrophobicContact CG-CD1 4.19Å; L426-I447 HydrophobicContact CG-CG2 3.98Å; L426-E449 PolarHBondContact N-O 2.64Å; L426-I450 HydrophobicContact CB-CG1 4.29Å; L426-I450 HydrophobicContact CB-CG2 4.3Å; L426-I450 HydrophobicContact CD1-CD1 4.02Å; L426-I450 HydrophobicContact CD1-CG1 3.98Å; L426-I450 HydrophobicContact CG-CG1 4.24Å; L426-L451 PolarHBondContact O-N 3.45Å; L426-T454 HydrophobicContact CB-CG2 3.85Å; L426-F455 HydrophobicContact CD1-CE1 4.33Å; L426-F455 HydrophobicContact CD1-CZ 4.27Å; L426-L466 HydrophobicContact CD1-CD2 4.32Å
427	S	94.9	Very high	93	Very high	14 Å²	14	29.2 Å²	29.2	10%	0.098	15%	0.15	C	C	.	.			trans	-134.6	154.6	173.6	93.7	0	0	0	0	112.6	E404 G429 M430	E404-S427 PolarHBondContact OE1-OG 3.3Å; S427-G429 PolarHBondContact O-N 2.87Å; S427-G429 PolarHBondContact OG-N 3.16Å; S427-M430 PolarHBondContact N-SD 3.27Å; S427-M430 WeakPolarHBondContact O-CB 3.42Å; S427-M430 PolarHBondContact O-N 3.32Å; S427-M430 VanDerWaalsContact O-N 3.15Å; S427-M430 PolarHBondContact OG-N 3.29Å
428	K	93.7	Very high	92.8	Very high	82 Å²	82	30 Å²	30	36%	0.357	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-31.6	168.3	-176.2	178.7	-176.1	177.8	0	113.3	M430 L432 E453 T454 P457	K428-M430 VanDerWaalsContact C-N 3.34Å; K428-L432 WeakPolarHBondContact O-CG 3.27Å; K428-E453 HydrophobicContact CD-CB 3.88Å; K428-E453 WeakPolarHBondContact CG-O 3.31Å; K428-E453 IonicContact NZ-OE2 3.5Å; K428-E453 PolarHBondContact NZ-OE2 3.45Å; K428-T454 PolarHBondContact N-OG1 3.3Å; K428-P457 HydrophobicContact CG-CG 3.88Å
429	G	92.8	Very high	92.4	Very high	8 Å²	8	32 Å²	32	8%	0.082	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-34.7	178.8	0	0	0	0	0	113.2	E404 G405 S427 F431	E404-G429 CarbonylContact C-O 2.99Å; E404-G429 WeakPolarHBondContact CA-O 3.39Å; G405-G429 PolarHBondContact N-O 2.87Å; S427-G429 PolarHBondContact O-N 2.87Å; S427-G429 PolarHBondContact OG-N 3.16Å; G429-F431 PolarHBondContact O-N 2.88Å
430	M	94.3	Very high	92.6	Very high	15 Å²	15	31.7 Å²	31.7	7%	0.074	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-43.3	179.2	-69.2	163.6	77	0	0	112.1	L402 F407 L423 L426 S427 K428	L402-M430 HydrophobicContact CB-CE 4Å; L402-M430 HydrophobicContact CD2-CB 3.79Å; L402-M430 HydrophobicContact CD2-CG 3.97Å; F407-M430 WeakPolarHBondContact CD2-O 3.44Å; L423-M430 HydrophobicContact CD2-CE 4.22Å; L426-M430 HydrophobicContact CD2-CE 3.95Å; S427-M430 PolarHBondContact N-SD 3.27Å; S427-M430 WeakPolarHBondContact O-CB 3.42Å; S427-M430 PolarHBondContact O-N 3.32Å; S427-M430 VanDerWaalsContact O-N 3.15Å; S427-M430 PolarHBondContact OG-N 3.29Å; K428-M430 VanDerWaalsContact C-N 3.34Å
431	F	95.3	Very high	93	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	11.2	-170.9	-56.9	-67.9	0	0	0	115.1	F407 L418 L426 G429 G433 L434 L440 L442 T454 P457 M458	F407-F431 HydrophobicContact CD2-CD1 4.43Å; F407-F431 HydrophobicContact CE2-CD1 4.43Å; L418-F431 HydrophobicContact CD1-CE1 4.28Å; L426-F431 HydrophobicContact CB-CE2 4.35Å; L426-F431 HydrophobicContact CD1-CE2 4.42Å; L426-F431 HydrophobicContact CD2-CE2 4.34Å; L426-F431 HydrophobicContact CD2-CZ 4.17Å; G429-F431 PolarHBondContact O-N 2.88Å; F431-G433 PolarHBondContact O-N 2.88Å; F431-L434 HydrophobicContact CB-CD1 4.13Å; F431-L434 HydrophobicContact CD1-CD1 3.87Å; F431-L434 WeakPolarHBondContact O-CB 2.74Å; F431-L434 PolarHBondContact O-N 3.02Å; F431-L440 HydrophobicContact CE1-CD1 4.21Å; F431-L440 HydrophobicContact CE1-CD2 4.11Å; F431-L440 HydrophobicContact CZ-CD2 4.28Å; F431-L442 HydrophobicContact CZ-CD1 4.25Å; F431-T454 HydrophobicContact CD2-CG2 3.77Å; F431-T454 HydrophobicContact CE2-CG2 3.72Å; F431-P457 WeakPolarHBondContact O-CB 3.49Å; F431-M458 HydrophobicContact CB-CE 3.72Å; F431-M458 HydrophobicContact CB-SD 3.96Å; F431-M458 HydrophobicContact CD1-CE 4.19Å; F431-M458 HydrophobicContact CD1-SD 4.28Å; F431-M458 HydrophobicContact CD2-CE 4.15Å; F431-M458 HydrophobicContact CG-CE 3.76Å; F431-M458 HydrophobicContact CG-SD 4.24Å
432	L	93.4	Very high	93.1	Very high	57 Å²	57	32.1 Å²	32.1	30%	0.298	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	135.5	176	-64.1	177.6	0	0	0	111.4	F407 M408 K428 P457	F407-L432 CarbonylContact C-O 3.12Å; M408-L432 VanDerWaalsContact CA-O 3.24Å; M408-L432 WeakPolarHBondContact CA-O 3.32Å; M408-L432 PolarHBondContact N-O 2.88Å; K428-L432 WeakPolarHBondContact O-CG 3.27Å; L432-P457 HydrophobicContact CD2-CG 4.11Å
433	G	89.8	Confident	92.7	Very high	6 Å²	6	27.7 Å²	27.7	6%	0.062	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.1	-16.6	178.6	0	0	0	0	0	115.4	T411 F431 H435	T411-G433 WeakPolarHBondContact CA-O 3.24Å; F431-G433 PolarHBondContact O-N 2.88Å; G433-H435 PolarHBondContact O-N 2.74Å
434	L	95.4	Very high	92.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.163	C	C	.	.			trans	-77.9	43.7	-173.8	-68	179.5	0	0	0	114.6	F407 L410 L413 L416 F431 N436 L437 M458	F407-L434 HydrophobicContact CB-CD1 4.01Å; F407-L434 HydrophobicContact CB-CD2 3.76Å; F407-L434 HydrophobicContact CB-CG 3.72Å; F407-L434 HydrophobicContact CD2-CD1 3.73Å; F407-L434 HydrophobicContact CD2-CG 4.41Å; F407-L434 HydrophobicContact CE2-CD1 4.49Å; F407-L434 HydrophobicContact CG-CD1 4.06Å; F407-L434 HydrophobicContact CG-CD2 4.26Å; F407-L434 HydrophobicContact CG-CG 4.29Å; L410-L434 HydrophobicContact CB-CD2 4.1Å; L413-L434 HydrophobicContact CB-CD2 3.92Å; L413-L434 HydrophobicContact CD2-CD2 3.59Å; L413-L434 HydrophobicContact CG-CD2 4.37Å; L416-L434 HydrophobicContact CD2-CD1 3.76Å; F431-L434 HydrophobicContact CB-CD1 4.13Å; F431-L434 HydrophobicContact CD1-CD1 3.87Å; F431-L434 WeakPolarHBondContact O-CB 2.74Å; F431-L434 PolarHBondContact O-N 3.02Å; L434-N436 PolarHBondContact O-N 2.98Å; L434-L437 HydrophobicContact CB-CB 4.18Å; L434-L437 HydrophobicContact CD1-CD2 4.38Å; L434-L437 WeakPolarHBondContact O-CB 3.29Å; L434-L437 PolarHBondContact O-N 2.85Å; L434-L437 VanDerWaalsContact O-N 3.07Å; L434-M458 HydrophobicContact CB-CG 3.63Å; L434-M458 HydrophobicContact CB-SD 3.95Å; L434-M458 HydrophobicContact CD1-SD 3.9Å; L434-M458 WeakPolarHBondContact O-CG 3.39Å
435	H	92.3	Very high	92.2	Very high	97 Å²	97	32.3 Å²	32.3	45%	0.449	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-10.7	-169.3	-56.4	-41.7	0	0	0	116	G433 P457	G433-H435 PolarHBondContact O-N 2.74Å; H435-P457 PolarHBondContact ND1-O 3.09Å
436	N	93.4	Very high	92.1	Very high	55 Å²	55	29.6 Å²	29.6	29%	0.294	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	11.5	175.3	-76.2	-67.1	0	0	0	113.3	T411 L413 L434 E438 K460	T411-N436 PolarHBondContact O-ND2 2.88Å; L413-N436 CarbonylContact O-C 3.1Å; L434-N436 PolarHBondContact O-N 2.98Å; N436-E438 PolarHBondContact O-N 2.94Å; N436-K460 WeakPolarHBondContact OD1-CE 3.44Å; N436-K460 PolarHBondContact OD1-NZ 3.13Å
437	L	96.3	Very high	92.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.143	C	C	.	.			trans	-69.2	129.4	-179.7	-159.5	81.2	0	0	0	110.4	L413 L416 L434 L440 M458 K460 L461	L413-L437 HydrophobicContact CB-CD1 4.31Å; L413-L437 HydrophobicContact CD2-CD1 3.99Å; L413-L437 HydrophobicContact CG-CD1 4Å; L413-L437 WeakPolarHBondContact O-CA 3.06Å; L413-L437 PolarHBondContact O-N 3.48Å; L416-L437 HydrophobicContact CB-CD1 3.69Å; L416-L437 HydrophobicContact CB-CD2 4.14Å; L434-L437 HydrophobicContact CB-CB 4.18Å; L434-L437 HydrophobicContact CD1-CD2 4.38Å; L434-L437 WeakPolarHBondContact O-CB 3.29Å; L434-L437 PolarHBondContact O-N 2.85Å; L434-L437 VanDerWaalsContact O-N 3.07Å; L437-L440 HydrophobicContact CD2-CB 3.9Å; L437-L440 HydrophobicContact CD2-CD1 4.22Å; L437-L440 HydrophobicContact CD2-CG 4.44Å; L437-M458 HydrophobicContact CB-CB 4.46Å; L437-M458 HydrophobicContact CB-CG 4.29Å; L437-M458 HydrophobicContact CB-SD 4.19Å; L437-M458 HydrophobicContact CD2-SD 3.47Å; L437-M458 WeakPolarHBondContact CD2-SD 3.29Å; L437-M458 HydrophobicContact CG-SD 4.45Å; L437-K460 CarbonylContact O-C 3.4Å; L437-L461 HydrophobicContact CD2-CD1 4.23Å; L437-L461 WeakPolarHBondContact O-CA 3.43Å; L437-L461 PolarHBondContact O-N 3.27Å
438	E	86.8	Confident	92.1	Very high	29 Å²	29	35 Å²	35	14%	0.136	17%	0.165	C	C	.	.			trans	-112.4	-26.6	179.1	-68.2	179.5	-128.9	0	0	111.6	Q414 N436 K460 K462 V463	Q414-E438 PolarHBondContact NE2-OE1 2.8Å; Q414-E438 VanDerWaalsContact NE2-OE1 3.1Å; Q414-E438 PolarHBondContact O-N 2.85Å; N436-E438 PolarHBondContact O-N 2.94Å; E438-K460 HydrophobicContact CG-CB 4.17Å; E438-K462 HydrophobicContact CB-CD 4.47Å; E438-K462 PolarHBondContact O-N 2.98Å; E438-K462 WeakPolarHBondContact OE2-CE 3.34Å; E438-K462 IonicContact OE2-NZ 2.61Å; E438-K462 PolarHBondContact OE2-NZ 3.12Å; E438-V463 PolarHBondContact O-N 2.99Å; E438-V463 VanDerWaalsContact O-N 3.08Å
439	Y	86.1	Confident	92.1	Very high	44 Å²	44	35.2 Å²	35.2	17%	0.173	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	125.7	-177.1	-54.5	-103.9	0	0	0	111.2	Q414 K415 L416 V463	Q414-Y439 PolarHBondContact O-N 3.04Å; K415-Y439 HydrophobicContact CD-CD2 3.93Å; K415-Y439 HydrophobicContact CD-CE2 4.48Å; K415-Y439 HydrophobicContact CD-CG 4.12Å; K415-Y439 VanDerWaalsContact CE-CD2 3.48Å; K415-Y439 HydrophobicContact CG-CD2 3.76Å; K415-Y439 HydrophobicContact CG-CG 4.15Å; L416-Y439 PolarHBondContact N-O 3.05Å; L416-Y439 VanDerWaalsContact N-O 3.13Å; Y439-V463 HydrophobicContact CD1-CB 3.8Å; Y439-V463 HydrophobicContact CD1-CG1 4.35Å; Y439-V463 HydrophobicContact CD1-CG2 3.85Å; Y439-V463 HydrophobicContact CE1-CB 4.31Å; Y439-V463 HydrophobicContact CE1-CG2 3.83Å; Y439-V463 HydrophobicContact CG-CB 4.5Å
440	L	95.1	Very high	92.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	118.4	176.6	-178.2	53.7	0	0	0	110.8	L416 F431 L437 L442 F455 M458 L461 V463 L464 Y465	L416-L440 HydrophobicContact CB-CD1 4.19Å; L416-L440 HydrophobicContact CD2-CD1 3.96Å; L416-L440 HydrophobicContact CG-CD1 4.04Å; F431-L440 HydrophobicContact CE1-CD1 4.21Å; F431-L440 HydrophobicContact CE1-CD2 4.11Å; F431-L440 HydrophobicContact CZ-CD2 4.28Å; L437-L440 HydrophobicContact CD2-CB 3.9Å; L437-L440 HydrophobicContact CD2-CD1 4.22Å; L437-L440 HydrophobicContact CD2-CG 4.44Å; L440-L442 HydrophobicContact CD1-CD1 4.14Å; L440-L442 HydrophobicContact CD1-CG 4.11Å; L440-L442 HydrophobicContact CD2-CD1 3.81Å; L440-L442 HydrophobicContact CG-CD1 3.76Å; L440-L442 HydrophobicContact CG-CG 4.09Å; L440-F455 HydrophobicContact CD2-CD1 4.34Å; L440-F455 HydrophobicContact CD2-CE1 4.17Å; L440-M458 HydrophobicContact CD2-CE 3.9Å; L440-M458 HydrophobicContact CD2-SD 4.32Å; L440-L461 HydrophobicContact CB-CD1 3.71Å; L440-V463 PolarHBondContact N-O 3.24Å; L440-L464 HydrophobicContact CB-CD1 4.18Å; L440-L464 HydrophobicContact CD2-CD1 4.03Å; L440-L464 HydrophobicContact CG-CD1 4.12Å; L440-Y465 PolarHBondContact O-N 2.9Å
441	Y	88.2	Confident	92.3	Very high	29 Å²	29	37.2 Å²	37.2	11%	0.114	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	114.9	-179.5	-59.7	-91.1	0	0	0	109.6	L416 Y417 L418 N419 E443 Y465	L416-Y441 PolarHBondContact O-N 2.89Å; Y417-Y441 HydrophobicContact CD1-CD1 4.41Å; Y417-Y441 AromaticContact CD1-CD2 3.39Å; Y417-Y441 HydrophobicContact CD1-CD2 3.39Å; Y417-Y441 AromaticContact CD1-CE2 3.91Å; Y417-Y441 HydrophobicContact CD1-CE2 3.91Å; Y417-Y441 AromaticContact CD1-CG 3.68Å; Y417-Y441 HydrophobicContact CD1-CG 3.68Å; Y417-Y441 HydrophobicContact CE1-CD1 4.4Å; Y417-Y441 AromaticContact CE1-CD2 3.4Å; Y417-Y441 HydrophobicContact CE1-CD2 3.4Å; Y417-Y441 VanDerWaalsContact CE1-CD2 3.4Å; Y417-Y441 HydrophobicContact CE1-CE1 4.39Å; Y417-Y441 AromaticContact CE1-CE2 3.38Å; Y417-Y441 HydrophobicContact CE1-CE2 3.38Å; Y417-Y441 AromaticContact CE1-CG 3.94Å; Y417-Y441 HydrophobicContact CE1-CG 3.94Å; Y417-Y441 AromaticContact CE1-CZ 3.91Å; Y417-Y441 HydrophobicContact CE2-CE2 4.48Å; Y417-Y441 AromaticContact CG-CD2 3.98Å; Y417-Y441 HydrophobicContact CG-CD2 3.98Å; Y417-Y441 HydrophobicContact CG-CG 4.48Å; Y417-Y441 AromaticContact CZ-CD2 4Å; Y417-Y441 AromaticContact CZ-CE2 3.71Å; L418-Y441 CarbonylContact C-O 3.16Å; L418-Y441 WeakPolarHBondContact CA-O 3.11Å; L418-Y441 PolarHBondContact N-O 3.37Å; N419-Y441 PolarHBondContact N-O 2.92Å; Y441-E443 VanDerWaalsContact C-OE2 3.31Å; Y441-E443 VanDerWaalsContact CA-OE2 3.26Å; Y441-E443 WeakPolarHBondContact CA-OE2 3.35Å; Y441-E443 VanDerWaalsContact CB-OE2 3.27Å; Y441-E443 WeakPolarHBondContact CB-OE2 3.46Å; Y441-Y465 AromaticContact CD1-CD2 3.51Å; Y441-Y465 HydrophobicContact CD1-CD2 3.51Å; Y441-Y465 HydrophobicContact CD1-CE2 4.17Å; Y441-Y465 HydrophobicContact CD1-CG 4.14Å; Y441-Y465 AromaticContact CE1-CD2 3.46Å; Y441-Y465 HydrophobicContact CE1-CD2 3.46Å; Y441-Y465 VanDerWaalsContact CE1-CD2 3.46Å; Y441-Y465 AromaticContact CE1-CE2 3.64Å; Y441-Y465 HydrophobicContact CE1-CE2 3.64Å; Y441-Y465 HydrophobicContact CE1-CG 4.43Å
442	L	94.3	Very high	92.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.198	C	C	.	.			trans	-130.3	11.3	-176.7	-74.2	163	0	0	0	112.1	L418 L423 L426 F431 L440 N445 I447 L464 Y465 L466 N469	L418-L442 HydrophobicContact CB-CD2 3.7Å; L418-L442 HydrophobicContact CD1-CD2 4.01Å; L423-L442 HydrophobicContact CD1-CD2 3.74Å; L426-L442 HydrophobicContact CD1-CD1 3.82Å; L426-L442 HydrophobicContact CD2-CD2 4.45Å; F431-L442 HydrophobicContact CZ-CD1 4.25Å; L440-L442 HydrophobicContact CD1-CD1 4.14Å; L440-L442 HydrophobicContact CD1-CG 4.11Å; L440-L442 HydrophobicContact CD2-CD1 3.81Å; L440-L442 HydrophobicContact CG-CD1 3.76Å; L440-L442 HydrophobicContact CG-CG 4.09Å; L442-N445 WeakPolarHBondContact O-CB 3.46Å; L442-N445 PolarHBondContact O-ND2 3.46Å; L442-N445 VanDerWaalsContact O-ND2 3.09Å; L442-I447 HydrophobicContact CB-CD1 4.14Å; L442-I447 HydrophobicContact CD2-CD1 4.38Å; L442-L464 HydrophobicContact CD1-CD1 4.46Å; L442-Y465 WeakPolarHBondContact CB-O 3.19Å; L442-Y465 PolarHBondContact N-O 3.33Å; L442-L466 HydrophobicContact CB-CD2 3.88Å; L442-L466 HydrophobicContact CD1-CD2 3.95Å; L442-N469 PolarHBondContact O-ND2 3.43Å
443	E	85.3	Confident	92	Very high	3 Å²	3	42.4 Å²	42.4	1%	0.014	21%	0.205	C	C	.	.			trans	-64.4	158.3	-179.4	68.1	-77	175.9	0	0	113.3	N419 G420 Y441 N445 Y465 N467	N419-E443 CarbonylContact C-O 3.48Å; N419-E443 WeakPolarHBondContact CA-O 3.37Å; N419-E443 HydrophobicContact CB-CG 3.84Å; N419-E443 WeakPolarHBondContact CB-O 3.42Å; N419-E443 WeakPolarHBondContact CB-OE1 3.27Å; N419-E443 VanDerWaalsContact CG-OE1 3.32Å; N419-E443 PolarHBondContact ND2-OE1 3.31Å; G420-E443 PolarHBondContact N-O 2.87Å; Y441-E443 VanDerWaalsContact C-OE2 3.31Å; Y441-E443 VanDerWaalsContact CA-OE2 3.26Å; Y441-E443 WeakPolarHBondContact CA-OE2 3.35Å; Y441-E443 VanDerWaalsContact CB-OE2 3.27Å; Y441-E443 WeakPolarHBondContact CB-OE2 3.46Å; E443-N445 VanDerWaalsContact C-N 3.33Å; E443-N445 PolarHBondContact O-N 3.31Å; E443-N445 PolarHBondContact O-ND2 3.21Å; E443-Y465 VanDerWaalsContact OE2-CB 3.3Å; E443-Y465 WeakPolarHBondContact OE2-CB 3.35Å; E443-N467 WeakPolarHBondContact CA-O 3.3Å; E443-N467 WeakPolarHBondContact CB-O 3.5Å; E443-N467 VanDerWaalsContact CB-OD1 3.27Å; E443-N467 WeakPolarHBondContact CB-OD1 3.24Å
444	Y	86	Confident	92.2	Very high	141 Å²	141	42.1 Å²	42.1	55%	0.553	20%	0.202	S	C	*	.	S	Bend	trans	53.1	46.8	-176.5	-59	-75.3	0	0	0	113.1	G420 N421 N467 N468	G420-Y444 WeakPolarHBondContact CA-O 3.28Å; G420-Y444 PolarHBondContact N-O 3.49Å; N421-Y444 PolarHBondContact N-O 3.36Å; Y444-N467 PolarHBondContact N-O 2.88Å; Y444-N467 VanDerWaalsContact N-O 3.15Å; Y444-N468 VanDerWaalsContact CA-O 3.27Å; Y444-N468 WeakPolarHBondContact CA-O 3.45Å; Y444-N468 HydrophobicContact CD1-CB 3.38Å; Y444-N468 HydrophobicContact CE1-CB 3.56Å; Y444-N468 WeakPolarHBondContact CE1-ND2 3.42Å; Y444-N468 HydrophobicContact CG-CB 3.95Å; Y444-N468 PolarHBondContact N-O 2.89Å
445	N	91.4	Very high	92.2	Very high	14 Å²	14	42.1 Å²	42.1	8%	0.075	20%	0.202	C	C	.	.	S	Bend	trans	-116.2	-173.4	172.7	-88.1	-95.7	0	0	0	110.2	L418 N421 H422 L423 L442 E443 I447 N468 N469	L418-N445 PolarHBondContact O-ND2 3.16Å; N421-N445 WeakPolarHBondContact CA-OD1 3.33Å; N421-N445 WeakPolarHBondContact CB-OD1 3.27Å; N421-N445 PolarHBondContact O-OD1 2.85Å; H422-N445 PolarHBondContact N-OD1 3.28Å; L423-N445 WeakPolarHBondContact CB-OD1 3.27Å; L423-N445 PolarHBondContact N-OD1 3.34Å; L423-N445 VanDerWaalsContact N-OD1 3.13Å; L442-N445 WeakPolarHBondContact O-CB 3.46Å; L442-N445 PolarHBondContact O-ND2 3.46Å; L442-N445 VanDerWaalsContact O-ND2 3.09Å; E443-N445 VanDerWaalsContact C-N 3.33Å; E443-N445 PolarHBondContact O-N 3.31Å; E443-N445 PolarHBondContact O-ND2 3.21Å; N445-I447 HydrophobicContact CB-CD1 4.05Å; N445-I447 HydrophobicContact CB-CG1 3.9Å; N445-N468 PolarHBondContact N-O 3.25Å; N445-N469 WeakPolarHBondContact CA-OD1 3.34Å; N445-N469 WeakPolarHBondContact CB-OD1 3.4Å; N445-N469 PolarHBondContact O-OD1 3.13Å
446	A	93.8	Very high	92.2	Very high	28 Å²	28	39.8 Å²	39.8	23%	0.231	19%	0.193	C	C	.	.			trans	-109.7	26.9	179.5	0	0	0	0	0	112.5	L423 T424 K448 L470	L423-A446 CarbonylContact O-C 3.56Å; L423-A446 WeakPolarHBondContact O-CA 3.05Å; L423-A446 PolarHBondContact O-N 3.07Å; L423-A446 VanDerWaalsContact O-N 3.11Å; T424-A446 WeakPolarHBondContact CA-O 3.49Å; T424-A446 HydrophobicContact CG2-CB 4.25Å; A446-K448 PolarHBondContact O-N 3.24Å; A446-L470 HydrophobicContact CB-CD1 4.24Å
447	I	97	Very high	92.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.182	C	C	.	.			trans	-70.9	122.8	-167.6	-54	164.4	0	0	0	109.6	L423 L426 L442 N445 I450 L466 N469 L470 L471	L423-I447 HydrophobicContact CB-CG1 4.11Å; L423-I447 WeakPolarHBondContact O-CA 3.25Å; L423-I447 VanDerWaalsContact O-CG1 3.28Å; L423-I447 WeakPolarHBondContact O-CG1 3.49Å; L423-I447 PolarHBondContact O-N 3.04Å; L426-I447 HydrophobicContact CD1-CD1 4.21Å; L426-I447 HydrophobicContact CD1-CG2 4.5Å; L426-I447 HydrophobicContact CD2-CD1 3.99Å; L426-I447 HydrophobicContact CD2-CG1 4.46Å; L426-I447 HydrophobicContact CG-CD1 4.19Å; L426-I447 HydrophobicContact CG-CG2 3.98Å; L442-I447 HydrophobicContact CB-CD1 4.14Å; L442-I447 HydrophobicContact CD2-CD1 4.38Å; N445-I447 HydrophobicContact CB-CD1 4.05Å; N445-I447 HydrophobicContact CB-CG1 3.9Å; I447-I450 HydrophobicContact CG2-CG1 4.23Å; I447-L466 HydrophobicContact CD1-CD2 4.24Å; I447-N469 VanDerWaalsContact CB-OD1 3.26Å; I447-N469 WeakPolarHBondContact CB-OD1 3.38Å; I447-N469 WeakPolarHBondContact CD1-OD1 3.12Å; I447-N469 VanDerWaalsContact CG1-OD1 3.23Å; I447-N469 WeakPolarHBondContact CG1-OD1 3.35Å; I447-N469 PolarHBondContact N-OD1 2.85Å; I447-L470 CarbonylContact O-C 3.5Å; I447-L470 VanDerWaalsContact O-CA 3.28Å; I447-L470 WeakPolarHBondContact O-CA 3.49Å; I447-L470 PolarHBondContact O-N 3.05Å; I447-L471 HydrophobicContact CB-CD2 4.28Å; I447-L471 HydrophobicContact CG2-CD2 3.71Å; I447-L471 PolarHBondContact O-N 2.96Å
448	K	94.2	Very high	92.2	Very high	127 Å²	127	37.7 Å²	37.7	55%	0.552	18%	0.182	S	C	*	.			trans	-108.4	-29.2	-179.7	-67.2	165.5	-171.7	174.9	0	113.1	T424 A446 L470	T424-K448 PolarHBondContact O-N 3.44Å; A446-K448 PolarHBondContact O-N 3.24Å; K448-L470 VanDerWaalsContact CE-CD1 3.49Å; K448-L470 HydrophobicContact CG-CB 3.7Å; K448-L470 HydrophobicContact CG-CD1 4.15Å
449	E	93.6	Very high	92.5	Very high	86 Å²	86	39.7 Å²	39.7	40%	0.402	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	133.6	-172.3	-167.5	-166.8	152.9	0	0	110.6	K425 L426 L451	K425-E449 VanDerWaalsContact CA-O 3.3Å; K425-E449 WeakPolarHBondContact CA-O 3.49Å; K425-E449 HydrophobicContact CD-CB 4.46Å; K425-E449 VanDerWaalsContact CE-OE1 3.24Å; K425-E449 WeakPolarHBondContact CE-OE1 3.15Å; K425-E449 VanDerWaalsContact CE-OE2 3.29Å; K425-E449 WeakPolarHBondContact CE-OE2 3.49Å; K425-E449 HydrophobicContact CG-CB 4.3Å; K425-E449 IonicContact NZ-OE1 3.43Å; K425-E449 PolarHBondContact NZ-OE1 3.31Å; K425-E449 IonicContact NZ-OE2 3.65Å; K425-E449 PolarHBondContact NZ-OE2 3.19Å; L426-E449 PolarHBondContact N-O 2.64Å; E449-L451 WeakPolarHBondContact OE1-CD2 3.22Å
450	I	96.4	Very high	92.8	Very high	7 Å²	7	42 Å²	42	4%	0.036	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	129	169.8	-58.8	-178.7	0	0	0	106.7	L426 I447 T454 F455 L466 L471 L474 P475 I478	L426-I450 HydrophobicContact CB-CG1 4.29Å; L426-I450 HydrophobicContact CB-CG2 4.3Å; L426-I450 HydrophobicContact CD1-CD1 4.02Å; L426-I450 HydrophobicContact CD1-CG1 3.98Å; L426-I450 HydrophobicContact CG-CG1 4.24Å; I447-I450 HydrophobicContact CG2-CG1 4.23Å; I450-T454 HydrophobicContact CG2-CG2 4.13Å; I450-F455 HydrophobicContact CD1-CZ 4.27Å; I450-F455 HydrophobicContact CG2-CE2 4.38Å; I450-F455 HydrophobicContact CG2-CZ 4.39Å; I450-L466 HydrophobicContact CD1-CD1 3.96Å; I450-L466 HydrophobicContact CD1-CD2 4.36Å; I450-L471 HydrophobicContact CD1-CD1 4.02Å; I450-L471 HydrophobicContact CD1-CD2 3.91Å; I450-L471 HydrophobicContact CG1-CD2 3.8Å; I450-L474 HydrophobicContact CD1-CD2 3.97Å; I450-P475 WeakPolarHBondContact O-CD 3.25Å; I450-P475 VanDerWaalsContact O-CG 3.3Å; I450-P475 WeakPolarHBondContact O-CG 3.28Å; I450-I478 HydrophobicContact CG2-CD1 3.58Å; I450-I478 HydrophobicContact CG2-CG1 4.17Å
451	L	94.4	Very high	92.8	Very high	58 Å²	58	42 Å²	42	30%	0.304	21%	0.209	S	C	.	.			trans	-79.3	154.8	177.1	-72.4	175.9	0	0	0	111.9	L426 E449 T454	L426-L451 PolarHBondContact O-N 3.45Å; E449-L451 WeakPolarHBondContact OE1-CD2 3.22Å; L451-T454 VanDerWaalsContact O-CB 3.31Å; L451-T454 WeakPolarHBondContact O-CB 3.29Å; L451-T454 PolarHBondContact O-N 3.12Å; L451-T454 PolarHBondContact O-OG1 2.91Å
452	P	90.9	Very high	92.6	Very high	73 Å²	73	44.5 Å²	44.5	47%	0.474	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	151.4	172.4	-24.4	33	0	0	0	112.9	T454 P475	P452-T454 PolarHBondContact O-N 3.02Å; P452-T454 VanDerWaalsContact O-N 3.12Å; P452-P475 HydrophobicContact CG-CB 3.97Å
453	E	90.8	Very high	91.9	Very high	93 Å²	93	45.2 Å²	45.2	44%	0.435	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	16.7	-179.4	-56.5	-175.3	-149.2	0	0	116.2	K428 F455 N456	K428-E453 HydrophobicContact CD-CB 3.88Å; K428-E453 WeakPolarHBondContact CG-O 3.31Å; K428-E453 IonicContact NZ-OE2 3.5Å; K428-E453 PolarHBondContact NZ-OE2 3.45Å; E453-F455 VanDerWaalsContact C-N 3.35Å; E453-F455 PolarHBondContact O-N 3.42Å; E453-N456 VanDerWaalsContact CA-OD1 3.23Å; E453-N456 WeakPolarHBondContact CA-OD1 3.38Å; E453-N456 HydrophobicContact CB-CB 4.39Å; E453-N456 WeakPolarHBondContact O-CB 3.35Å; E453-N456 PolarHBondContact O-N 3.07Å; E453-N456 PolarHBondContact O-OD1 3.38Å
454	T	95.3	Very high	92.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-60.9	-37.8	-173.6	-74.4	0	0	0	0	113.6	L426 K428 F431 I450 L451 P452 P457	L426-T454 HydrophobicContact CB-CG2 3.85Å; K428-T454 PolarHBondContact N-OG1 3.3Å; F431-T454 HydrophobicContact CD2-CG2 3.77Å; F431-T454 HydrophobicContact CE2-CG2 3.72Å; I450-T454 HydrophobicContact CG2-CG2 4.13Å; L451-T454 VanDerWaalsContact O-CB 3.31Å; L451-T454 WeakPolarHBondContact O-CB 3.29Å; L451-T454 PolarHBondContact O-N 3.12Å; L451-T454 PolarHBondContact O-OG1 2.91Å; P452-T454 PolarHBondContact O-N 3.02Å; P452-T454 VanDerWaalsContact O-N 3.12Å; T454-P457 WeakPolarHBondContact O-CD 3.42Å
455	F	95.4	Very high	92.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	-90.9	-13.9	-177	-55.1	-55.4	0	0	0	114	L426 L440 I450 E453 P457 M458 L461 L464 L466 I478 F479 V482	L426-F455 HydrophobicContact CD1-CE1 4.33Å; L426-F455 HydrophobicContact CD1-CZ 4.27Å; L440-F455 HydrophobicContact CD2-CD1 4.34Å; L440-F455 HydrophobicContact CD2-CE1 4.17Å; I450-F455 HydrophobicContact CD1-CZ 4.27Å; I450-F455 HydrophobicContact CG2-CE2 4.38Å; I450-F455 HydrophobicContact CG2-CZ 4.39Å; E453-F455 VanDerWaalsContact C-N 3.35Å; E453-F455 PolarHBondContact O-N 3.42Å; F455-P457 VanDerWaalsContact C-N 3.28Å; F455-P457 WeakPolarHBondContact O-CD 3.41Å; F455-M458 HydrophobicContact CB-CE 4.27Å; F455-M458 HydrophobicContact CD1-CE 3.76Å; F455-M458 WeakPolarHBondContact O-CB 3.32Å; F455-M458 PolarHBondContact O-N 3.43Å; F455-L461 HydrophobicContact CB-CD2 4.39Å; F455-L461 HydrophobicContact CD1-CD2 4.39Å; F455-L461 HydrophobicContact CG-CD2 4.5Å; F455-L464 HydrophobicContact CD2-CD2 4.17Å; F455-L464 HydrophobicContact CE1-CD1 4.08Å; F455-L464 HydrophobicContact CE1-CD2 4.23Å; F455-L464 HydrophobicContact CE2-CD2 3.72Å; F455-L464 HydrophobicContact CZ-CD1 4.18Å; F455-L464 HydrophobicContact CZ-CD2 3.75Å; F455-L466 HydrophobicContact CZ-CD1 4.28Å; F455-I478 HydrophobicContact CD2-CD1 3.69Å; F455-I478 HydrophobicContact CD2-CG1 3.73Å; F455-I478 HydrophobicContact CE2-CD1 3.81Å; F455-I478 HydrophobicContact CE2-CG1 3.69Å; F455-F479 HydrophobicContact CD2-CD1 4.1Å; F455-F479 HydrophobicContact CD2-CE1 4.08Å; F455-F479 HydrophobicContact CE2-CD1 4.47Å; F455-F479 AromaticContact CE2-CE1 3.98Å; F455-F479 HydrophobicContact CE2-CE1 3.98Å; F455-V482 HydrophobicContact CB-CG1 4.09Å; F455-V482 HydrophobicContact CB-CG2 4.38Å; F455-V482 WeakPolarHBondContact O-CG1 3.43Å
456	N	92.1	Very high	92.3	Very high	49 Å²	49	38.7 Å²	38.7	26%	0.262	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-25.8	-178.9	-57.3	36.2	0	0	0	116	E453 M458	E453-N456 VanDerWaalsContact CA-OD1 3.23Å; E453-N456 WeakPolarHBondContact CA-OD1 3.38Å; E453-N456 HydrophobicContact CB-CB 4.39Å; E453-N456 WeakPolarHBondContact O-CB 3.35Å; E453-N456 PolarHBondContact O-N 3.07Å; E453-N456 PolarHBondContact O-OD1 3.38Å; N456-M458 PolarHBondContact O-N 3.32Å
457	P	93.5	Very high	92.1	Very high	11 Å²	11	38.4 Å²	38.4	7%	0.071	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-13.7	172.1	-24.6	36.5	0	0	0	115.3	K428 F431 L432 H435 T454 F455 P459	K428-P457 HydrophobicContact CG-CG 3.88Å; F431-P457 WeakPolarHBondContact O-CB 3.49Å; L432-P457 HydrophobicContact CD2-CG 4.11Å; H435-P457 PolarHBondContact ND1-O 3.09Å; T454-P457 WeakPolarHBondContact O-CD 3.42Å; F455-P457 VanDerWaalsContact C-N 3.28Å; F455-P457 WeakPolarHBondContact O-CD 3.41Å; P457-P459 WeakPolarHBondContact O-CD 3.37Å
458	M	95.8	Very high	91.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.204	C	C	.	.			trans	-117.9	63.2	-168	-59	178.5	-74.1	0	0	112.4	F431 L434 L437 L440 F455 N456 K460 L461 V482	F431-M458 HydrophobicContact CB-CE 3.72Å; F431-M458 HydrophobicContact CB-SD 3.96Å; F431-M458 HydrophobicContact CD1-CE 4.19Å; F431-M458 HydrophobicContact CD1-SD 4.28Å; F431-M458 HydrophobicContact CD2-CE 4.15Å; F431-M458 HydrophobicContact CG-CE 3.76Å; F431-M458 HydrophobicContact CG-SD 4.24Å; L434-M458 HydrophobicContact CB-CG 3.63Å; L434-M458 HydrophobicContact CB-SD 3.95Å; L434-M458 HydrophobicContact CD1-SD 3.9Å; L434-M458 WeakPolarHBondContact O-CG 3.39Å; L437-M458 HydrophobicContact CB-CB 4.46Å; L437-M458 HydrophobicContact CB-CG 4.29Å; L437-M458 HydrophobicContact CB-SD 4.19Å; L437-M458 HydrophobicContact CD2-SD 3.47Å; L437-M458 WeakPolarHBondContact CD2-SD 3.29Å; L437-M458 HydrophobicContact CG-SD 4.45Å; L440-M458 HydrophobicContact CD2-CE 3.9Å; L440-M458 HydrophobicContact CD2-SD 4.32Å; F455-M458 HydrophobicContact CB-CE 4.27Å; F455-M458 HydrophobicContact CD1-CE 3.76Å; F455-M458 WeakPolarHBondContact O-CB 3.32Å; F455-M458 PolarHBondContact O-N 3.43Å; N456-M458 PolarHBondContact O-N 3.32Å; M458-K460 PolarHBondContact O-N 3.21Å; M458-L461 HydrophobicContact CB-CB 4.19Å; M458-L461 HydrophobicContact CE-CD2 4.38Å; M458-L461 WeakPolarHBondContact O-CB 3.31Å; M458-L461 PolarHBondContact O-N 3.48Å; M458-V482 WeakPolarHBondContact O-CG1 3.08Å
459	P	93.4	Very high	91.6	Very high	70 Å²	70	34.9 Å²	34.9	46%	0.455	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	15.2	-170.8	33.1	-40.2	0	0	0	115.3	P457 P483	P457-P459 WeakPolarHBondContact O-CD 3.37Å; P459-P483 WeakPolarHBondContact O-CD 3.42Å
460	K	92.3	Very high	91.6	Very high	94 Å²	94	33.4 Å²	33.4	41%	0.409	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.7	3.1	172.4	-67.2	-164.7	-179.1	176.5	0	113.1	N436 L437 E438 M458 K462	N436-K460 WeakPolarHBondContact OD1-CE 3.44Å; N436-K460 PolarHBondContact OD1-NZ 3.13Å; L437-K460 CarbonylContact O-C 3.4Å; E438-K460 HydrophobicContact CG-CB 4.17Å; M458-K460 PolarHBondContact O-N 3.21Å; K460-K462 PolarHBondContact O-N 2.91Å; K460-K462 VanDerWaalsContact O-N 3.15Å
461	L	94.5	Very high	91.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.173	C	C	.	.			trans	-63.7	116.3	-176.7	-173.7	68.3	0	0	0	109.9	L437 L440 F455 M458 V482 P483 L484	L437-L461 HydrophobicContact CD2-CD1 4.23Å; L437-L461 WeakPolarHBondContact O-CA 3.43Å; L437-L461 PolarHBondContact O-N 3.27Å; L440-L461 HydrophobicContact CB-CD1 3.71Å; F455-L461 HydrophobicContact CB-CD2 4.39Å; F455-L461 HydrophobicContact CD1-CD2 4.39Å; F455-L461 HydrophobicContact CG-CD2 4.5Å; M458-L461 HydrophobicContact CB-CB 4.19Å; M458-L461 HydrophobicContact CE-CD2 4.38Å; M458-L461 WeakPolarHBondContact O-CB 3.31Å; M458-L461 PolarHBondContact O-N 3.48Å; L461-V482 HydrophobicContact CB-CB 4.3Å; L461-V482 HydrophobicContact CB-CG1 4.28Å; L461-P483 CarbonylContact O-C 3.2Å; L461-P483 VanDerWaalsContact O-C 3.26Å; L461-P483 WeakPolarHBondContact O-CD 3.44Å; L461-L484 HydrophobicContact CB-CD2 4.48Å; L461-L484 HydrophobicContact CD2-CD2 4.06Å; L461-L484 HydrophobicContact CG-CD2 3.82Å; L461-L484 PolarHBondContact O-N 3.01Å
462	K	83.4	Confident	91.6	Very high	80 Å²	80	35.4 Å²	35.4	35%	0.348	18%	0.182	S	C	.	.			trans	-101	-40.3	178.6	-66	167.5	-180	168.7	0	111.5	E438 K460 L484 T485 K486	E438-K462 HydrophobicContact CB-CD 4.47Å; E438-K462 PolarHBondContact O-N 2.98Å; E438-K462 WeakPolarHBondContact OE2-CE 3.34Å; E438-K462 IonicContact OE2-NZ 2.61Å; E438-K462 PolarHBondContact OE2-NZ 3.12Å; K460-K462 PolarHBondContact O-N 2.91Å; K460-K462 VanDerWaalsContact O-N 3.15Å; K462-L484 CarbonylContact O-C 3.53Å; K462-L484 WeakPolarHBondContact O-CA 3Å; K462-T485 PolarHBondContact O-N 3.2Å; K462-T485 PolarHBondContact O-OG1 2.93Å; K462-K486 PolarHBondContact O-N 3.15Å
463	V	79.6	Confident	91.6	Very high	16 Å²	16	35.5 Å²	35.5	10%	0.097	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	124.8	-170.2	-175.7	0	0	0	0	110.4	E438 Y439 L440 Y465 K486	E438-V463 PolarHBondContact O-N 2.99Å; E438-V463 VanDerWaalsContact O-N 3.08Å; Y439-V463 HydrophobicContact CD1-CB 3.8Å; Y439-V463 HydrophobicContact CD1-CG1 4.35Å; Y439-V463 HydrophobicContact CD1-CG2 3.85Å; Y439-V463 HydrophobicContact CE1-CB 4.31Å; Y439-V463 HydrophobicContact CE1-CG2 3.83Å; Y439-V463 HydrophobicContact CG-CB 4.5Å; L440-V463 PolarHBondContact N-O 3.24Å; V463-Y465 HydrophobicContact CG1-CD2 3.8Å; V463-Y465 HydrophobicContact CG1-CE2 3.42Å; V463-Y465 VanDerWaalsContact CG1-CE2 3.42Å; V463-K486 WeakPolarHBondContact CA-O 3.15Å; V463-K486 HydrophobicContact CG1-CB 4.38Å; V463-K486 HydrophobicContact CG2-CB 4.41Å
464	L	93.3	Very high	91.8	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	112.7	-179	176	60.5	0	0	0	110.3	L440 L442 F455 L466 F479 L484 K486 N488	L440-L464 HydrophobicContact CB-CD1 4.18Å; L440-L464 HydrophobicContact CD2-CD1 4.03Å; L440-L464 HydrophobicContact CG-CD1 4.12Å; L442-L464 HydrophobicContact CD1-CD1 4.46Å; F455-L464 HydrophobicContact CD2-CD2 4.17Å; F455-L464 HydrophobicContact CE1-CD1 4.08Å; F455-L464 HydrophobicContact CE1-CD2 4.23Å; F455-L464 HydrophobicContact CE2-CD2 3.72Å; F455-L464 HydrophobicContact CZ-CD1 4.18Å; F455-L464 HydrophobicContact CZ-CD2 3.75Å; L464-L466 HydrophobicContact CD1-CD1 4.19Å; L464-L466 HydrophobicContact CD1-CG 4.03Å; L464-L466 HydrophobicContact CD2-CD1 3.87Å; L464-L466 HydrophobicContact CG-CD1 3.94Å; L464-L466 HydrophobicContact CG-CG 4.08Å; L464-F479 HydrophobicContact CD2-CE1 3.85Å; L464-L484 HydrophobicContact CB-CD2 3.84Å; L464-L484 HydrophobicContact CD2-CD1 4.41Å; L464-K486 PolarHBondContact N-O 3.44Å; L464-N488 PolarHBondContact O-N 3.46Å
465	Y	85.4	Confident	91.6	Very high	20 Å²	20	32.2 Å²	32.2	8%	0.078	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	122	172.7	-75.6	-86.4	0	0	0	110.4	L440 Y441 L442 E443 V463 K486 N488	L440-Y465 PolarHBondContact O-N 2.9Å; Y441-Y465 AromaticContact CD1-CD2 3.51Å; Y441-Y465 HydrophobicContact CD1-CD2 3.51Å; Y441-Y465 HydrophobicContact CD1-CE2 4.17Å; Y441-Y465 HydrophobicContact CD1-CG 4.14Å; Y441-Y465 AromaticContact CE1-CD2 3.46Å; Y441-Y465 HydrophobicContact CE1-CD2 3.46Å; Y441-Y465 VanDerWaalsContact CE1-CD2 3.46Å; Y441-Y465 AromaticContact CE1-CE2 3.64Å; Y441-Y465 HydrophobicContact CE1-CE2 3.64Å; Y441-Y465 HydrophobicContact CE1-CG 4.43Å; L442-Y465 WeakPolarHBondContact CB-O 3.19Å; L442-Y465 PolarHBondContact N-O 3.33Å; E443-Y465 VanDerWaalsContact OE2-CB 3.3Å; E443-Y465 WeakPolarHBondContact OE2-CB 3.35Å; V463-Y465 HydrophobicContact CG1-CD2 3.8Å; V463-Y465 HydrophobicContact CG1-CE2 3.42Å; V463-Y465 VanDerWaalsContact CG1-CE2 3.42Å; Y465-K486 WeakPolarHBondContact OH-CE 2.86Å; Y465-N488 HydrophobicContact CD1-CB 3.51Å; Y465-N488 HydrophobicContact CE1-CB 3.78Å; Y465-N488 HydrophobicContact CG-CB 4.36Å
466	L	94.3	Very high	91.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.			trans	-131.5	12.4	179	-75.9	169.4	0	0	0	112	L426 L442 I447 I450 F455 L464 N469 L471 N488 L489 N492	L426-L466 HydrophobicContact CD1-CD2 4.32Å; L442-L466 HydrophobicContact CB-CD2 3.88Å; L442-L466 HydrophobicContact CD1-CD2 3.95Å; I447-L466 HydrophobicContact CD1-CD2 4.24Å; I450-L466 HydrophobicContact CD1-CD1 3.96Å; I450-L466 HydrophobicContact CD1-CD2 4.36Å; F455-L466 HydrophobicContact CZ-CD1 4.28Å; L464-L466 HydrophobicContact CD1-CD1 4.19Å; L464-L466 HydrophobicContact CD1-CG 4.03Å; L464-L466 HydrophobicContact CD2-CD1 3.87Å; L464-L466 HydrophobicContact CG-CD1 3.94Å; L464-L466 HydrophobicContact CG-CG 4.08Å; L466-N469 WeakPolarHBondContact O-CB 3.18Å; L466-N469 PolarHBondContact O-ND2 2.84Å; L466-L471 HydrophobicContact CB-CD1 4.19Å; L466-L471 HydrophobicContact CD1-CD1 4.3Å; L466-N488 CarbonylContact C-O 3.58Å; L466-N488 WeakPolarHBondContact CA-O 3.33Å; L466-N488 PolarHBondContact N-O 2.84Å; L466-L489 HydrophobicContact CB-CD2 3.92Å; L466-L489 HydrophobicContact CD1-CD2 4.01Å; L466-N492 PolarHBondContact O-ND2 3.39Å
467	N	89	Confident	91.2	Very high	21 Å²	21	37.6 Å²	37.6	11%	0.112	20%	0.198	C	C	.	.			trans	-67.2	162.5	179	51.8	-49.5	0	0	0	113.9	E443 Y444 N469 N488 K490	E443-N467 WeakPolarHBondContact CA-O 3.3Å; E443-N467 WeakPolarHBondContact CB-O 3.5Å; E443-N467 VanDerWaalsContact CB-OD1 3.27Å; E443-N467 WeakPolarHBondContact CB-OD1 3.24Å; Y444-N467 PolarHBondContact N-O 2.88Å; Y444-N467 VanDerWaalsContact N-O 3.15Å; N467-N469 PolarHBondContact O-N 3.09Å; N467-N469 PolarHBondContact O-ND2 3.39Å; N467-N469 VanDerWaalsContact O-ND2 3.07Å; N467-N488 VanDerWaalsContact CB-OD1 3.26Å; N467-N488 WeakPolarHBondContact CB-OD1 3.28Å; N467-N488 PolarHBondContact N-O 3.22Å; N467-K490 CarbonylContact C-O 3.6Å; N467-K490 WeakPolarHBondContact CA-O 3.49Å; N467-K490 HydrophobicContact CB-CB 4.19Å; N467-K490 WeakPolarHBondContact CB-O 3.43Å
468	N	86.8	Confident	91.1	Very high	46 Å²	46	37.1 Å²	37.1	25%	0.246	19%	0.194	C	C	.	.	S	Bend	trans	52.2	55.5	-176.7	-67.6	-82	0	0	0	111.3	Y444 N445 K490 T491	Y444-N468 VanDerWaalsContact CA-O 3.27Å; Y444-N468 WeakPolarHBondContact CA-O 3.45Å; Y444-N468 HydrophobicContact CD1-CB 3.38Å; Y444-N468 HydrophobicContact CE1-CB 3.56Å; Y444-N468 WeakPolarHBondContact CE1-ND2 3.42Å; Y444-N468 HydrophobicContact CG-CB 3.95Å; Y444-N468 PolarHBondContact N-O 2.89Å; N445-N468 PolarHBondContact N-O 3.25Å; N468-K490 PolarHBondContact N-O 3.42Å; N468-K490 VanDerWaalsContact N-O 3.13Å; N468-T491 VanDerWaalsContact CA-O 3.24Å; N468-T491 WeakPolarHBondContact CA-O 3.28Å; N468-T491 PolarHBondContact N-O 3.22Å; N468-T491 VanDerWaalsContact N-O 3.13Å
469	N	93.3	Very high	90.9	Very high	7 Å²	7	37.1 Å²	37.1	4%	0.037	19%	0.194	C	C	.	.	S	Bend	trans	-133.7	-170.5	178.1	-89.5	-81.4	0	0	0	109.7	L442 N445 I447 L466 N467 L471 T491 N492	L442-N469 PolarHBondContact O-ND2 3.43Å; N445-N469 WeakPolarHBondContact CA-OD1 3.34Å; N445-N469 WeakPolarHBondContact CB-OD1 3.4Å; N445-N469 PolarHBondContact O-OD1 3.13Å; I447-N469 VanDerWaalsContact CB-OD1 3.26Å; I447-N469 WeakPolarHBondContact CB-OD1 3.38Å; I447-N469 WeakPolarHBondContact CD1-OD1 3.12Å; I447-N469 VanDerWaalsContact CG1-OD1 3.23Å; I447-N469 WeakPolarHBondContact CG1-OD1 3.35Å; I447-N469 PolarHBondContact N-OD1 2.85Å; L466-N469 WeakPolarHBondContact O-CB 3.18Å; L466-N469 PolarHBondContact O-ND2 2.84Å; N467-N469 PolarHBondContact O-N 3.09Å; N467-N469 PolarHBondContact O-ND2 3.39Å; N467-N469 VanDerWaalsContact O-ND2 3.07Å; N469-L471 HydrophobicContact CB-CG 4.42Å; N469-T491 PolarHBondContact N-O 2.95Å; N469-N492 WeakPolarHBondContact CA-OD1 3.39Å; N469-N492 WeakPolarHBondContact CB-OD1 3.39Å; N469-N492 PolarHBondContact O-OD1 3.23Å
470	L	94.9	Very high	90.7	Very high	56 Å²	56	36.2 Å²	36.2	29%	0.293	19%	0.189	S	C	.	.			trans	-119.2	26.7	-173.5	-53.2	175.5	0	0	0	111.7	A446 I447 K448 N492	A446-L470 HydrophobicContact CB-CD1 4.24Å; I447-L470 CarbonylContact O-C 3.5Å; I447-L470 VanDerWaalsContact O-CA 3.28Å; I447-L470 WeakPolarHBondContact O-CA 3.49Å; I447-L470 PolarHBondContact O-N 3.05Å; K448-L470 VanDerWaalsContact CE-CD1 3.49Å; K448-L470 HydrophobicContact CG-CB 3.7Å; K448-L470 HydrophobicContact CG-CD1 4.15Å; L470-N492 PolarHBondContact N-OD1 3.44Å
471	L	96.3	Very high	90.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.199	C	C	.	.			trans	-71.7	131	-176.5	-61.5	173.1	0	0	0	110.9	I447 I450 L466 N469 L474 L489 N492 Q493 F494	I447-L471 HydrophobicContact CB-CD2 4.28Å; I447-L471 HydrophobicContact CG2-CD2 3.71Å; I447-L471 PolarHBondContact O-N 2.96Å; I450-L471 HydrophobicContact CD1-CD1 4.02Å; I450-L471 HydrophobicContact CD1-CD2 3.91Å; I450-L471 HydrophobicContact CG1-CD2 3.8Å; L466-L471 HydrophobicContact CB-CD1 4.19Å; L466-L471 HydrophobicContact CD1-CD1 4.3Å; N469-L471 HydrophobicContact CB-CG 4.42Å; L471-L474 HydrophobicContact CD1-CD2 4.44Å; L471-L489 HydrophobicContact CD1-CD2 4.29Å; L471-N492 HydrophobicContact CB-CB 4.44Å; L471-N492 VanDerWaalsContact CB-OD1 3.3Å; L471-N492 WeakPolarHBondContact CB-OD1 3.35Å; L471-N492 WeakPolarHBondContact CG-OD1 3.38Å; L471-N492 PolarHBondContact N-OD1 2.92Å; L471-Q493 CarbonylContact O-C 3.52Å; L471-Q493 VanDerWaalsContact O-CA 3.22Å; L471-Q493 WeakPolarHBondContact O-CA 3.39Å; L471-Q493 WeakPolarHBondContact O-CB 3.49Å; L471-Q493 PolarHBondContact O-N 2.66Å; L471-F494 HydrophobicContact CB-CE1 4.06Å; L471-F494 HydrophobicContact CB-CE2 3.89Å; L471-F494 HydrophobicContact CB-CZ 3.46Å; L471-F494 VanDerWaalsContact CB-CZ 3.46Å; L471-F494 HydrophobicContact CD1-CE2 4.42Å; L471-F494 HydrophobicContact CD1-CZ 4.05Å; L471-F494 HydrophobicContact CG-CZ 4.39Å; L471-F494 PolarHBondContact O-N 3.01Å
472	Q	92.9	Very high	90.2	Very high	107 Å²	107	34.9 Å²	34.9	50%	0.5	20%	0.201	S	C	.	.			trans	-109.8	-31	179	-67.8	177.2	0.8	0	0	113.2	Q493 F494	Q472-Q493 HydrophobicContact CG-CB 3.63Å; Q472-F494 WeakPolarHBondContact O-CD1 3.45Å
473	V	91.6	Very high	90.4	Very high	74 Å²	74	33.2 Å²	33.2	45%	0.448	20%	0.199	S	C	.	.			trans	-150	144.9	-177.5	-179.4	0	0	0	0	108.6
474	L	93.9	Very high	90.9	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.026	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-101.4	144.8	168.5	-65.7	-176.1	0	0	0	110.6	I450 L471 I478 F479 L489 F494 L497 I502	I450-L474 HydrophobicContact CD1-CD2 3.97Å; L471-L474 HydrophobicContact CD1-CD2 4.44Å; L474-I478 HydrophobicContact CB-CG2 4.41Å; L474-F479 HydrophobicContact CD1-CE2 4.05Å; L474-F479 HydrophobicContact CD1-CZ 3.85Å; L474-L489 HydrophobicContact CD1-CD1 4.25Å; L474-F494 HydrophobicContact CD1-CZ 4.49Å; L474-F494 HydrophobicContact CD2-CE1 4.28Å; L474-F494 HydrophobicContact CD2-CZ 4Å; L474-F494 HydrophobicContact CG-CE1 3.9Å; L474-F494 HydrophobicContact CG-CZ 3.93Å; L474-L497 HydrophobicContact CB-CD1 4.48Å; L474-L497 HydrophobicContact CD1-CD1 4.09Å; L474-L497 HydrophobicContact CG-CD1 4.32Å; L474-I502 HydrophobicContact CB-CD1 3.99Å; L474-I502 HydrophobicContact CB-CG2 4.38Å; L474-I502 HydrophobicContact CD1-CG2 4.24Å; L474-I502 VanDerWaalsContact O-CD1 3.27Å; L474-I502 WeakPolarHBondContact O-CD1 3.2Å
475	P	92.8	Very high	90.3	Very high	19 Å²	19	34.5 Å²	34.5	12%	0.123	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-75.3	156.6	177	31.8	-34.6	0	0	0	111.6	I450 P452 I478	I450-P475 WeakPolarHBondContact O-CD 3.25Å; I450-P475 VanDerWaalsContact O-CG 3.3Å; I450-P475 WeakPolarHBondContact O-CG 3.28Å; P452-P475 HydrophobicContact CG-CB 3.97Å; P475-I478 HydrophobicContact CG-CB 4.03Å; P475-I478 HydrophobicContact CG-CD1 4.05Å; P475-I478 HydrophobicContact CG-CG1 4.14Å; P475-I478 WeakPolarHBondContact O-CB 3.38Å; P475-I478 WeakPolarHBondContact O-CG2 3.23Å
476	P	89.3	Confident	90	Very high	78 Å²	78	34.5 Å²	34.5	51%	0.506	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	148.8	174.2	28.4	-35.2	0	0	0	112.1	I478 N501	P476-I478 PolarHBondContact O-N 2.99Å; P476-N501 CarbonylContact C-O 3.57Å; P476-N501 WeakPolarHBondContact CA-O 3.38Å; P476-N501 HydrophobicContact CB-CB 4.1Å
477	H	88.2	Confident	89.7	Confident	85 Å²	85	34.5 Å²	34.5	39%	0.394	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	30.9	-176.2	-58.3	-57.8	0	0	0	115	F479 S480 N501 D505	H477-F479 VanDerWaalsContact C-N 3.31Å; H477-F479 PolarHBondContact O-N 3.03Å; H477-S480 WeakPolarHBondContact O-CB 3.16Å; H477-S480 PolarHBondContact O-N 2.91Å; H477-N501 WeakPolarHBondContact CA-O 3.36Å; H477-N501 VanDerWaalsContact CE1-CB 3.46Å; H477-N501 WeakPolarHBondContact CE1-CB 3.48Å; H477-N501 PolarHBondContact CE1-OD1 3.41Å; H477-N501 VanDerWaalsContact CE1-OD1 3.31Å; H477-N501 PolarHBondContact N-O 2.66Å; H477-D505 WeakPolarHBondContact CA-OD2 3.38Å; H477-D505 IonicContact ND1-OD1 2.66Å; H477-D505 IonicContact ND1-OD2 2.76Å; H477-D505 PolarHBondContact ND1-OD2 3.38Å
478	I	92.9	Very high	89.5	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-67.6	-29.1	179.5	-171.7	52	0	0	0	113.5	I450 F455 L474 P475 P476 I502	I450-I478 HydrophobicContact CG2-CD1 3.58Å; I450-I478 HydrophobicContact CG2-CG1 4.17Å; F455-I478 HydrophobicContact CD2-CD1 3.69Å; F455-I478 HydrophobicContact CD2-CG1 3.73Å; F455-I478 HydrophobicContact CE2-CD1 3.81Å; F455-I478 HydrophobicContact CE2-CG1 3.69Å; L474-I478 HydrophobicContact CB-CG2 4.41Å; P475-I478 HydrophobicContact CG-CB 4.03Å; P475-I478 HydrophobicContact CG-CD1 4.05Å; P475-I478 HydrophobicContact CG-CG1 4.14Å; P475-I478 WeakPolarHBondContact O-CB 3.38Å; P475-I478 WeakPolarHBondContact O-CG2 3.23Å; P476-I478 PolarHBondContact O-N 2.99Å; I478-I502 HydrophobicContact CG2-CG2 3.99Å
479	F	91.6	Very high	89.8	Confident	1 Å²	1	32.2 Å²	32.2	0%	0.004	19%	0.194	C	C	.	.	S	Bend	trans	-103	-0.4	178.5	-54.3	-47.8	0	0	0	113.2	F455 L464 L474 H477 G481 V482 L484 V487 I502 D505 L506	F455-F479 HydrophobicContact CD2-CD1 4.1Å; F455-F479 HydrophobicContact CD2-CE1 4.08Å; F455-F479 HydrophobicContact CE2-CD1 4.47Å; F455-F479 AromaticContact CE2-CE1 3.98Å; F455-F479 HydrophobicContact CE2-CE1 3.98Å; L464-F479 HydrophobicContact CD2-CE1 3.85Å; L474-F479 HydrophobicContact CD1-CE2 4.05Å; L474-F479 HydrophobicContact CD1-CZ 3.85Å; H477-F479 VanDerWaalsContact C-N 3.31Å; H477-F479 PolarHBondContact O-N 3.03Å; F479-G481 PolarHBondContact O-N 3.4Å; F479-V482 HydrophobicContact CB-CG2 4.2Å; F479-V482 WeakPolarHBondContact O-CG2 3.45Å; F479-V482 PolarHBondContact O-N 3.46Å; F479-V482 VanDerWaalsContact O-N 3.12Å; F479-L484 HydrophobicContact CB-CD1 4.18Å; F479-L484 HydrophobicContact CD1-CD1 3.36Å; F479-L484 HydrophobicContact CE1-CD1 3.9Å; F479-L484 HydrophobicContact CG-CD1 3.89Å; F479-V487 HydrophobicContact CZ-CG1 4.24Å; F479-I502 HydrophobicContact CD2-CG2 4.1Å; F479-I502 WeakPolarHBondContact CD2-O 3.41Å; F479-I502 HydrophobicContact CE2-CG2 3.91Å; F479-D505 HydrophobicContact CB-CB 4.23Å; F479-L506 HydrophobicContact CB-CD2 3.66Å; F479-L506 HydrophobicContact CB-CG 4.32Å; F479-L506 HydrophobicContact CD2-CD1 3.87Å; F479-L506 HydrophobicContact CD2-CD2 3.74Å; F479-L506 HydrophobicContact CD2-CG 3.9Å; F479-L506 HydrophobicContact CE2-CD1 4.15Å; F479-L506 HydrophobicContact CG-CD2 3.76Å; F479-L506 HydrophobicContact CG-CG 4.37Å
480	S	88.9	Confident	89.4	Confident	50 Å²	50	34.4 Å²	34.4	35%	0.35	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	107.4	178.8	168.6	0	0	0	0	112.1	H477 D505	H477-S480 WeakPolarHBondContact O-CB 3.16Å; H477-S480 PolarHBondContact O-N 2.91Å; S480-D505 WeakPolarHBondContact CB-OD2 3.39Å; S480-D505 PolarHBondContact N-OD2 2.92Å
481	G	84.3	Confident	89.1	Confident	59 Å²	59	34 Å²	34	61%	0.608	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.2	12	176.6	0	0	0	0	0	115.3	F479	F479-G481 PolarHBondContact O-N 3.4Å
482	V	91.8	Very high	89	Confident	8 Å²	8	34.5 Å²	34.5	5%	0.048	21%	0.206	C	C	.	.			trans	-112.4	127	166.9	-68.3	0	0	0	0	110.8	F455 M458 L461 F479 L484	F455-V482 HydrophobicContact CB-CG1 4.09Å; F455-V482 HydrophobicContact CB-CG2 4.38Å; F455-V482 WeakPolarHBondContact O-CG1 3.43Å; M458-V482 WeakPolarHBondContact O-CG1 3.08Å; L461-V482 HydrophobicContact CB-CB 4.3Å; L461-V482 HydrophobicContact CB-CG1 4.28Å; F479-V482 HydrophobicContact CB-CG2 4.2Å; F479-V482 WeakPolarHBondContact O-CG2 3.45Å; F479-V482 PolarHBondContact O-N 3.46Å; F479-V482 VanDerWaalsContact O-N 3.12Å; V482-L484 HydrophobicContact CB-CG 4.3Å; V482-L484 HydrophobicContact CG2-CD1 3.6Å; V482-L484 HydrophobicContact CG2-CG 3.81Å; V482-L484 PolarHBondContact O-N 3.08Å
483	P	88.3	Confident	89.1	Confident	45 Å²	45	32.9 Å²	32.9	29%	0.292	20%	0.199	S	C	.	.			trans	-82.2	60.9	-175.4	35.6	-37.2	0	0	0	111.6	P459 L461 T485 L508	P459-P483 WeakPolarHBondContact O-CD 3.42Å; L461-P483 CarbonylContact O-C 3.2Å; L461-P483 VanDerWaalsContact O-C 3.26Å; L461-P483 WeakPolarHBondContact O-CD 3.44Å; P483-T485 PolarHBondContact O-N 3.31Å; P483-L508 HydrophobicContact CB-CD1 3.79Å
484	L	88.4	Confident	89.2	Confident	2 Å²	2	29.4 Å²	29.4	1%	0.01	18%	0.177	C	C	.	.			trans	-68.7	127	-176.2	-74.1	167.9	0	0	0	111.5	L461 K462 L464 F479 V482 V487 L506 L508	L461-L484 HydrophobicContact CB-CD2 4.48Å; L461-L484 HydrophobicContact CD2-CD2 4.06Å; L461-L484 HydrophobicContact CG-CD2 3.82Å; L461-L484 PolarHBondContact O-N 3.01Å; K462-L484 CarbonylContact O-C 3.53Å; K462-L484 WeakPolarHBondContact O-CA 3Å; L464-L484 HydrophobicContact CB-CD2 3.84Å; L464-L484 HydrophobicContact CD2-CD1 4.41Å; F479-L484 HydrophobicContact CB-CD1 4.18Å; F479-L484 HydrophobicContact CD1-CD1 3.36Å; F479-L484 HydrophobicContact CE1-CD1 3.9Å; F479-L484 HydrophobicContact CG-CD1 3.89Å; V482-L484 HydrophobicContact CB-CG 4.3Å; V482-L484 HydrophobicContact CG2-CD1 3.6Å; V482-L484 HydrophobicContact CG2-CG 3.81Å; V482-L484 PolarHBondContact O-N 3.08Å; L484-V487 HydrophobicContact CB-CG2 3.95Å; L484-V487 HydrophobicContact CD1-CG2 3.86Å; L484-V487 HydrophobicContact CD2-CG2 4.31Å; L484-V487 HydrophobicContact CG-CG2 4.27Å; L484-L506 HydrophobicContact CB-CD2 3.85Å; L484-L506 HydrophobicContact CD1-CD2 3.95Å; L484-L508 CarbonylContact O-C 2.95Å
485	T	81.2	Confident	89.1	Confident	41 Å²	41	32 Å²	32	25%	0.252	19%	0.193	S	C	.	.	S	Bend	trans	-103.7	-36.3	173.1	61.1	0	0	0	0	111.6	K462 P483 T510 Q511	K462-T485 PolarHBondContact O-N 3.2Å; K462-T485 PolarHBondContact O-OG1 2.93Å; P483-T485 PolarHBondContact O-N 3.31Å; T485-T510 PolarHBondContact O-N 3.19Å; T485-T510 PolarHBondContact O-OG1 2.8Å; T485-T510 VanDerWaalsContact O-OG1 3.11Å; T485-Q511 PolarHBondContact O-N 3.46Å
486	K	79.6	Confident	88.9	Confident	21 Å²	21	34.3 Å²	34.3	9%	0.091	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	127.4	175.5	-177.7	163.7	-177.9	163.6	0	112.4	K462 V463 L464 Y465 Q511 D513	K462-K486 PolarHBondContact O-N 3.15Å; V463-K486 WeakPolarHBondContact CA-O 3.15Å; V463-K486 HydrophobicContact CG1-CB 4.38Å; V463-K486 HydrophobicContact CG2-CB 4.41Å; L464-K486 PolarHBondContact N-O 3.44Å; Y465-K486 WeakPolarHBondContact OH-CE 2.86Å; K486-Q511 WeakPolarHBondContact CA-O 3.03Å; K486-Q511 HydrophobicContact CB-CB 4.37Å; K486-Q511 HydrophobicContact CD-CB 4.12Å; K486-Q511 HydrophobicContact CD-CG 4.07Å; K486-Q511 VanDerWaalsContact CE-OE1 3.28Å; K486-Q511 HydrophobicContact CG-CB 4.02Å; K486-Q511 HydrophobicContact CG-CG 4.16Å; K486-Q511 VanDerWaalsContact NZ-NE2 3.16Å; K486-D513 WeakPolarHBondContact CE-OD2 3.2Å; K486-D513 IonicContact NZ-OD2 3.2Å
487	V	88	Confident	89	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	113.8	177.5	-178.1	0	0	0	0	109.5	F479 L484 L489 L506 L509 Q511 I512 D513	F479-V487 HydrophobicContact CZ-CG1 4.24Å; L484-V487 HydrophobicContact CB-CG2 3.95Å; L484-V487 HydrophobicContact CD1-CG2 3.86Å; L484-V487 HydrophobicContact CD2-CG2 4.31Å; L484-V487 HydrophobicContact CG-CG2 4.27Å; V487-L489 HydrophobicContact CG1-CD1 4.09Å; V487-L489 HydrophobicContact CG1-CG 4.1Å; V487-L506 HydrophobicContact CG2-CD2 4.48Å; V487-L509 HydrophobicContact CB-CD1 4.41Å; V487-L509 HydrophobicContact CG2-CD1 3.97Å; V487-Q511 PolarHBondContact N-O 2.91Å; V487-Q511 VanDerWaalsContact N-O 3.14Å; V487-I512 HydrophobicContact CB-CG1 4.45Å; V487-I512 WeakPolarHBondContact O-CA 3.12Å; V487-D513 PolarHBondContact O-N 3.31Å
488	N	84.3	Confident	88.9	Confident	18 Å²	18	29.1 Å²	29.1	10%	0.096	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	120.2	178.9	-169.3	-39.8	0	0	0	111	L464 Y465 L466 N467 K490 D513	L464-N488 PolarHBondContact O-N 3.46Å; Y465-N488 HydrophobicContact CD1-CB 3.51Å; Y465-N488 HydrophobicContact CE1-CB 3.78Å; Y465-N488 HydrophobicContact CG-CB 4.36Å; L466-N488 CarbonylContact C-O 3.58Å; L466-N488 WeakPolarHBondContact CA-O 3.33Å; L466-N488 PolarHBondContact N-O 2.84Å; N467-N488 VanDerWaalsContact CB-OD1 3.26Å; N467-N488 WeakPolarHBondContact CB-OD1 3.28Å; N467-N488 PolarHBondContact N-O 3.22Å; N488-K490 WeakPolarHBondContact OD1-CB 3.38Å; N488-K490 PolarHBondContact OD1-N 3.19Å; N488-D513 HydrophobicContact CB-CB 4.05Å; N488-D513 VanDerWaalsContact CB-OD2 3.27Å; N488-D513 WeakPolarHBondContact CB-OD2 3.33Å; N488-D513 VanDerWaalsContact CG-CB 3.49Å; N488-D513 WeakPolarHBondContact ND2-CB 3.45Å; N488-D513 PolarHBondContact ND2-OD2 3.22Å
489	L	92.6	Very high	88.5	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.18	C	C	.	.			trans	-123.3	9.5	-179	-67.5	165.2	0	0	0	112.2	L466 L471 L474 V487 N492 F494 L497 D513 L514 N517	L466-L489 HydrophobicContact CB-CD2 3.92Å; L466-L489 HydrophobicContact CD1-CD2 4.01Å; L471-L489 HydrophobicContact CD1-CD2 4.29Å; L474-L489 HydrophobicContact CD1-CD1 4.25Å; V487-L489 HydrophobicContact CG1-CD1 4.09Å; V487-L489 HydrophobicContact CG1-CG 4.1Å; L489-N492 PolarHBondContact O-ND2 3.36Å; L489-F494 HydrophobicContact CB-CE2 4.06Å; L489-F494 HydrophobicContact CD2-CE2 3.87Å; L489-F494 HydrophobicContact CD2-CZ 4.1Å; L489-F494 HydrophobicContact CG-CE2 4.36Å; L489-L497 HydrophobicContact CD1-CD2 4.47Å; L489-D513 CarbonylContact C-O 3.59Å; L489-D513 WeakPolarHBondContact CA-O 3.31Å; L489-D513 PolarHBondContact N-O 3.26Å; L489-L514 HydrophobicContact CB-CD2 4.09Å; L489-L514 HydrophobicContact CD1-CD2 4.03Å; L489-N517 PolarHBondContact O-ND2 3Å
490	K	86.7	Confident	88.1	Confident	54 Å²	54	33.3 Å²	33.3	24%	0.235	21%	0.205	C	C	.	.			trans	-53.4	146.4	-179.8	175.5	166.4	-175	166.6	0	112.3	N467 N468 N488 N492 D513 E515 D516	N467-K490 CarbonylContact C-O 3.6Å; N467-K490 WeakPolarHBondContact CA-O 3.49Å; N467-K490 HydrophobicContact CB-CB 4.19Å; N467-K490 WeakPolarHBondContact CB-O 3.43Å; N468-K490 PolarHBondContact N-O 3.42Å; N468-K490 VanDerWaalsContact N-O 3.13Å; N488-K490 WeakPolarHBondContact OD1-CB 3.38Å; N488-K490 PolarHBondContact OD1-N 3.19Å; K490-N492 PolarHBondContact O-ND2 2.88Å; K490-D513 PolarHBondContact N-O 3.47Å; K490-E515 WeakPolarHBondContact CA-O 3.37Å; K490-E515 HydrophobicContact CD-CB 3.85Å; K490-E515 WeakPolarHBondContact CE-OE1 3.34Å; K490-E515 WeakPolarHBondContact CE-OE2 3.39Å; K490-E515 HydrophobicContact CG-CB 4Å; K490-E515 IonicContact NZ-OE1 3.11Å; K490-E515 PolarHBondContact NZ-OE1 3.2Å; K490-E515 IonicContact NZ-OE2 2.96Å; K490-E515 PolarHBondContact NZ-OE2 3.46Å; K490-D516 WeakPolarHBondContact CE-OD2 3.48Å; K490-D516 HydrophobicContact CG-CB 4.28Å; K490-D516 IonicContact NZ-OD2 3.22Å
491	T	87.4	Confident	87.7	Confident	46 Å²	46	34.7 Å²	34.7	28%	0.282	21%	0.209	S	C	.	.	S	Bend	trans	55	61.1	177.5	-35.9	0	0	0	0	112.5	N468 N469 E515 D516	N468-T491 VanDerWaalsContact CA-O 3.24Å; N468-T491 WeakPolarHBondContact CA-O 3.28Å; N468-T491 PolarHBondContact N-O 3.22Å; N468-T491 VanDerWaalsContact N-O 3.13Å; N469-T491 PolarHBondContact N-O 2.95Å; T491-E515 PolarHBondContact N-O 3.32Å; T491-E515 VanDerWaalsContact N-O 3.07Å; T491-D516 WeakPolarHBondContact CA-O 3.46Å; T491-D516 HydrophobicContact CG2-CB 4.31Å; T491-D516 WeakPolarHBondContact OG1-CB 3.47Å; T491-D516 PolarHBondContact OG1-OD2 3.47Å
492	N	94.3	Very high	87.8	Confident	11 Å²	11	32.1 Å²	32.1	6%	0.059	18%	0.181	C	C	.	.	S	Bend	trans	-124.2	-157.2	173.7	-93	-79.9	0	0	0	109.9	L466 N469 L470 L471 L489 K490 F494 N517	L466-N492 PolarHBondContact O-ND2 3.39Å; N469-N492 WeakPolarHBondContact CA-OD1 3.39Å; N469-N492 WeakPolarHBondContact CB-OD1 3.39Å; N469-N492 PolarHBondContact O-OD1 3.23Å; L470-N492 PolarHBondContact N-OD1 3.44Å; L471-N492 HydrophobicContact CB-CB 4.44Å; L471-N492 VanDerWaalsContact CB-OD1 3.3Å; L471-N492 WeakPolarHBondContact CB-OD1 3.35Å; L471-N492 WeakPolarHBondContact CG-OD1 3.38Å; L471-N492 PolarHBondContact N-OD1 2.92Å; L489-N492 PolarHBondContact O-ND2 3.36Å; K490-N492 PolarHBondContact O-ND2 2.88Å; N492-F494 HydrophobicContact CB-CD2 3.7Å; N492-F494 HydrophobicContact CB-CE2 3.74Å; N492-N517 VanDerWaalsContact CA-OD1 3.24Å; N492-N517 WeakPolarHBondContact CA-OD1 3.43Å; N492-N517 WeakPolarHBondContact CB-OD1 3.18Å; N492-N517 PolarHBondContact N-ND2 2.75Å; N492-N517 PolarHBondContact N-OD1 3.32Å; N492-N517 PolarHBondContact O-OD1 2.91Å
493	Q	95.1	Very high	87.4	Confident	74 Å²	74	31.9 Å²	31.9	35%	0.346	18%	0.179	S	C	.	.			trans	-120.6	26.8	179.2	-60.1	-171.9	-2.4	0	0	112.4	L471 Q472 T495 N517	L471-Q493 CarbonylContact O-C 3.52Å; L471-Q493 VanDerWaalsContact O-CA 3.22Å; L471-Q493 WeakPolarHBondContact O-CA 3.39Å; L471-Q493 WeakPolarHBondContact O-CB 3.49Å; L471-Q493 PolarHBondContact O-N 2.66Å; Q472-Q493 HydrophobicContact CG-CB 3.63Å; Q493-T495 PolarHBondContact O-N 3.48Å; Q493-N517 PolarHBondContact N-OD1 3.17Å
494	F	93.9	Very high	87	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.184	C	C	.	.			trans	-67.3	118.2	177.9	-66.2	-68.3	0	0	0	110.9	L471 Q472 L474 L489 N492 N517 P518 W519	L471-F494 HydrophobicContact CB-CE1 4.06Å; L471-F494 HydrophobicContact CB-CE2 3.89Å; L471-F494 HydrophobicContact CB-CZ 3.46Å; L471-F494 VanDerWaalsContact CB-CZ 3.46Å; L471-F494 HydrophobicContact CD1-CE2 4.42Å; L471-F494 HydrophobicContact CD1-CZ 4.05Å; L471-F494 HydrophobicContact CG-CZ 4.39Å; L471-F494 PolarHBondContact O-N 3.01Å; Q472-F494 WeakPolarHBondContact O-CD1 3.45Å; L474-F494 HydrophobicContact CD1-CZ 4.49Å; L474-F494 HydrophobicContact CD2-CE1 4.28Å; L474-F494 HydrophobicContact CD2-CZ 4Å; L474-F494 HydrophobicContact CG-CE1 3.9Å; L474-F494 HydrophobicContact CG-CZ 3.93Å; L489-F494 HydrophobicContact CB-CE2 4.06Å; L489-F494 HydrophobicContact CD2-CE2 3.87Å; L489-F494 HydrophobicContact CD2-CZ 4.1Å; L489-F494 HydrophobicContact CG-CE2 4.36Å; N492-F494 HydrophobicContact CB-CD2 3.7Å; N492-F494 HydrophobicContact CB-CE2 3.74Å; F494-N517 HydrophobicContact CB-CB 4.3Å; F494-N517 WeakPolarHBondContact CB-OD1 3.23Å; F494-N517 VanDerWaalsContact CD2-OD1 3.27Å; F494-N517 WeakPolarHBondContact CD2-OD1 3.24Å; F494-N517 PolarHBondContact N-OD1 3.1Å; F494-P518 CarbonylContact O-C 3.56Å; F494-P518 VanDerWaalsContact O-CD 3.31Å; F494-P518 WeakPolarHBondContact O-CD 3.4Å; F494-W519 HydrophobicContact CB-CE3 4.44Å; F494-W519 HydrophobicContact CB-CH2 3.68Å; F494-W519 HydrophobicContact CB-CZ2 4.23Å; F494-W519 HydrophobicContact CB-CZ3 3.8Å; F494-W519 HydrophobicContact CG-CH2 4.39Å
495	T	91.6	Very high	86.6	Confident	59 Å²	59	35.1 Å²	35.1	36%	0.362	19%	0.194	S	C	.	.	S	Bend	trans	-88.9	-35.2	168.5	53.1	0	0	0	0	111	Q493 P518 D520	Q493-T495 PolarHBondContact O-N 3.48Å; T495-P518 HydrophobicContact CG2-CG 4.49Å; T495-D520 PolarHBondContact O-N 3.35Å
496	H	89.4	Confident	86.6	Confident	68 Å²	68	33.8 Å²	33.8	32%	0.315	19%	0.186	S	C	.	.			trans	-149.1	154.6	174.3	62.6	-76.4	0	0	0	109.9	L525	H496-L525 HydrophobicContact CB-CD1 4.03Å
497	L	89.9	Confident	86.6	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.005	22%	0.221	C	C	.	.			trans	-136.4	103.8	179.6	-179	59.1	0	0	0	108.5	L474 L489 L503 L514 W519 L528	L474-L497 HydrophobicContact CB-CD1 4.48Å; L474-L497 HydrophobicContact CD1-CD1 4.09Å; L474-L497 HydrophobicContact CG-CD1 4.32Å; L489-L497 HydrophobicContact CD1-CD2 4.47Å; L497-L503 HydrophobicContact CD2-CD1 3.91Å; L497-L503 HydrophobicContact CD2-CD2 4.28Å; L497-L503 HydrophobicContact CD2-CG 4.46Å; L497-L503 HydrophobicContact CG-CD1 3.97Å; L497-L503 HydrophobicContact CG-CG 4.46Å; L497-L514 HydrophobicContact CD2-CD2 3.81Å; L497-W519 HydrophobicContact CB-CH2 3.88Å; L497-W519 HydrophobicContact CB-CZ3 3.78Å; L497-W519 HydrophobicContact CD2-CH2 4.28Å; L497-L528 HydrophobicContact CB-CD1 4.49Å; L497-L528 HydrophobicContact CB-CD2 4.33Å; L497-L528 HydrophobicContact CD2-CD1 4.49Å
498	P	86.1	Confident	86.2	Confident	54 Å²	54	45 Å²	45	35%	0.351	25%	0.246	S	C	.	.			trans	-72.3	135.1	-177.7	28.3	-32.2	0	0	0	110.4	I502	P498-I502 HydrophobicContact CG-CD1 3.91Å; P498-I502 WeakPolarHBondContact O-CB 3.46Å
499	V	84.4	Confident	85.9	Confident	13 Å²	13	44.8 Å²	44.8	8%	0.079	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-48.1	-178	167.6	0	0	0	0	111.6	N501 I502 L503 D504 G527 L528 W531	V499-N501 PolarHBondContact O-N 3.46Å; V499-I502 PolarHBondContact O-N 3.03Å; V499-L503 HydrophobicContact CB-CB 4.46Å; V499-L503 HydrophobicContact CG1-CB 4.29Å; V499-L503 HydrophobicContact CG2-CB 4.44Å; V499-L503 HydrophobicContact CG2-CD1 3.95Å; V499-L503 PolarHBondContact O-N 3.15Å; V499-D504 WeakPolarHBondContact CG1-OD1 3.47Å; V499-D504 PolarHBondContact O-N 3.18Å; V499-D504 VanDerWaalsContact O-N 3.11Å; V499-G527 WeakPolarHBondContact CG2-O 2.93Å; V499-L528 HydrophobicContact CG2-CB 4.47Å; V499-L528 HydrophobicContact CG2-CD1 4.37Å; V499-W531 HydrophobicContact CB-CB 4.27Å; V499-W531 HydrophobicContact CB-CG 4.41Å; V499-W531 HydrophobicContact CG1-CB 3.87Å; V499-W531 HydrophobicContact CG1-CG 3.73Å; V499-W531 HydrophobicContact CG2-CB 3.41Å; V499-W531 VanDerWaalsContact CG2-CB 3.41Å; V499-W531 HydrophobicContact CG2-CD2 4.32Å; V499-W531 HydrophobicContact CG2-CG 3.75Å
500	S	83.1	Confident	84.9	Confident	76 Å²	76	48.1 Å²	48.1	53%	0.531	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	125.4	-174.4	-58.6	0	0	0	0	112	I502 D504	S500-I502 VanDerWaalsContact C-N 3.27Å; S500-I502 PolarHBondContact O-N 2.98Å; S500-D504 VanDerWaalsContact CA-OD2 3.31Å; S500-D504 WeakPolarHBondContact CA-OD2 3.5Å
501	N	80.5	Confident	84.4	Confident	79 Å²	79	46.8 Å²	46.8	42%	0.422	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	16.7	-174.1	-39.7	-69.2	0	0	0	114.6	P476 H477 V499	P476-N501 CarbonylContact C-O 3.57Å; P476-N501 WeakPolarHBondContact CA-O 3.38Å; P476-N501 HydrophobicContact CB-CB 4.1Å; H477-N501 WeakPolarHBondContact CA-O 3.36Å; H477-N501 VanDerWaalsContact CE1-CB 3.46Å; H477-N501 WeakPolarHBondContact CE1-CB 3.48Å; H477-N501 PolarHBondContact CE1-OD1 3.41Å; H477-N501 VanDerWaalsContact CE1-OD1 3.31Å; H477-N501 PolarHBondContact N-O 2.66Å; V499-N501 PolarHBondContact O-N 3.46Å
502	I	86.6	Confident	84.3	Confident	4 Å²	4	44.6 Å²	44.6	2%	0.021	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.5	-67.2	171.5	-57	-173.9	0	0	0	110	L474 I478 F479 P498 V499 S500 D505	L474-I502 HydrophobicContact CB-CD1 3.99Å; L474-I502 HydrophobicContact CB-CG2 4.38Å; L474-I502 HydrophobicContact CD1-CG2 4.24Å; L474-I502 VanDerWaalsContact O-CD1 3.27Å; L474-I502 WeakPolarHBondContact O-CD1 3.2Å; I478-I502 HydrophobicContact CG2-CG2 3.99Å; F479-I502 HydrophobicContact CD2-CG2 4.1Å; F479-I502 WeakPolarHBondContact CD2-O 3.41Å; F479-I502 HydrophobicContact CE2-CG2 3.91Å; P498-I502 HydrophobicContact CG-CD1 3.91Å; P498-I502 WeakPolarHBondContact O-CB 3.46Å; V499-I502 PolarHBondContact O-N 3.03Å; S500-I502 VanDerWaalsContact C-N 3.27Å; S500-I502 PolarHBondContact O-N 2.98Å; I502-D505 PolarHBondContact O-N 2.89Å
503	L	83.6	Confident	83.6	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.016	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-83.7	-21.8	-178.3	-59.3	175.9	0	0	0	112.4	L497 V499 D505 L506 I512 L528 W531	L497-L503 HydrophobicContact CD2-CD1 3.91Å; L497-L503 HydrophobicContact CD2-CD2 4.28Å; L497-L503 HydrophobicContact CD2-CG 4.46Å; L497-L503 HydrophobicContact CG-CD1 3.97Å; L497-L503 HydrophobicContact CG-CG 4.46Å; V499-L503 HydrophobicContact CB-CB 4.46Å; V499-L503 HydrophobicContact CG1-CB 4.29Å; V499-L503 HydrophobicContact CG2-CB 4.44Å; V499-L503 HydrophobicContact CG2-CD1 3.95Å; V499-L503 PolarHBondContact O-N 3.15Å; L503-D505 PolarHBondContact O-N 2.92Å; L503-L506 HydrophobicContact CD2-CD1 3.72Å; L503-L506 PolarHBondContact O-N 2.77Å; L503-I512 HydrophobicContact CD2-CD1 3.85Å; L503-L528 HydrophobicContact CD1-CD1 3.53Å; L503-W531 HydrophobicContact CB-CD2 4.14Å; L503-W531 HydrophobicContact CB-CH2 4.15Å; L503-W531 HydrophobicContact CB-CZ2 3.67Å; L503-W531 HydrophobicContact CD1-CD2 4.2Å; L503-W531 HydrophobicContact CD1-CE3 3.9Å; L503-W531 HydrophobicContact CD1-CH2 4.13Å; L503-W531 HydrophobicContact CD1-CZ2 4.42Å; L503-W531 HydrophobicContact CD1-CZ3 3.87Å; L503-W531 HydrophobicContact CD2-CH2 4.15Å; L503-W531 HydrophobicContact CD2-CZ2 4.41Å; L503-W531 HydrophobicContact CG-CH2 4.38Å; L503-W531 HydrophobicContact CG-CZ2 4.39Å
504	D	80.9	Confident	83.3	Confident	73 Å²	73	40.7 Å²	40.7	39%	0.39	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-67.7	-14.6	168.3	-76	-34.7	0	0	0	113.2	V499 S500 L506	V499-D504 WeakPolarHBondContact CG1-OD1 3.47Å; V499-D504 PolarHBondContact O-N 3.18Å; V499-D504 VanDerWaalsContact O-N 3.11Å; S500-D504 VanDerWaalsContact CA-OD2 3.31Å; S500-D504 WeakPolarHBondContact CA-OD2 3.5Å; D504-L506 VanDerWaalsContact C-N 3.3Å
505	D	79.6	Confident	82.8	Confident	42 Å²	42	43.2 Å²	43.2	23%	0.225	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-82.1	-5.9	175	-69.7	-6.8	0	0	0	112.5	H477 F479 S480 I502 L503 D507	H477-D505 WeakPolarHBondContact CA-OD2 3.38Å; H477-D505 IonicContact ND1-OD1 2.66Å; H477-D505 IonicContact ND1-OD2 2.76Å; H477-D505 PolarHBondContact ND1-OD2 3.38Å; F479-D505 HydrophobicContact CB-CB 4.23Å; S480-D505 WeakPolarHBondContact CB-OD2 3.39Å; S480-D505 PolarHBondContact N-OD2 2.92Å; I502-D505 PolarHBondContact O-N 2.89Å; L503-D505 PolarHBondContact O-N 2.92Å; D505-D507 PolarHBondContact O-N 3.24Å
506	L	81.6	Confident	82.5	Confident	14 Å²	14	45 Å²	45	7%	0.073	25%	0.247	C	C	.	.			trans	-98.6	54.5	-169.3	-64.2	174.7	0	0	0	113.7	F479 L484 V487 L503 D504 L508 L509	F479-L506 HydrophobicContact CB-CD2 3.66Å; F479-L506 HydrophobicContact CB-CG 4.32Å; F479-L506 HydrophobicContact CD2-CD1 3.87Å; F479-L506 HydrophobicContact CD2-CD2 3.74Å; F479-L506 HydrophobicContact CD2-CG 3.9Å; F479-L506 HydrophobicContact CE2-CD1 4.15Å; F479-L506 HydrophobicContact CG-CD2 3.76Å; F479-L506 HydrophobicContact CG-CG 4.37Å; L484-L506 HydrophobicContact CB-CD2 3.85Å; L484-L506 HydrophobicContact CD1-CD2 3.95Å; V487-L506 HydrophobicContact CG2-CD2 4.48Å; L503-L506 HydrophobicContact CD2-CD1 3.72Å; L503-L506 PolarHBondContact O-N 2.77Å; D504-L506 VanDerWaalsContact C-N 3.3Å; L506-L508 PolarHBondContact O-N 3.47Å; L506-L509 HydrophobicContact CB-CB 4.18Å; L506-L509 HydrophobicContact CB-CD1 4.49Å; L506-L509 HydrophobicContact CB-CD2 4.1Å; L506-L509 HydrophobicContact CD1-CD1 4.21Å; L506-L509 HydrophobicContact CD1-CD2 3.89Å; L506-L509 WeakPolarHBondContact O-CB 3.15Å; L506-L509 PolarHBondContact O-N 2.91Å
507	D	78.2	Confident	82.6	Confident	154 Å²	154	42.1 Å²	42.1	82%	0.824	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-18.5	-176.8	-80.6	-40.8	0	0	0	115.9	D505	D505-D507 PolarHBondContact O-N 3.24Å
508	L	79.6	Confident	82.8	Confident	103 Å²	103	44.3 Å²	44.3	54%	0.539	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	13.9	-171.6	-61.4	177.2	0	0	0	114	P483 L484 L506 T510	P483-L508 HydrophobicContact CB-CD1 3.79Å; L484-L508 CarbonylContact O-C 2.95Å; L506-L508 PolarHBondContact O-N 3.47Å; L508-T510 PolarHBondContact O-N 3.17Å
509	L	79.1	Confident	83.1	Confident	12 Å²	12	41.8 Å²	41.8	6%	0.063	23%	0.232	C	C	.	.			trans	-72	113	-169	-162	67.3	0	0	0	113.4	V487 L506 Q511 I512 W531 T539	V487-L509 HydrophobicContact CB-CD1 4.41Å; V487-L509 HydrophobicContact CG2-CD1 3.97Å; L506-L509 HydrophobicContact CB-CB 4.18Å; L506-L509 HydrophobicContact CB-CD1 4.49Å; L506-L509 HydrophobicContact CB-CD2 4.1Å; L506-L509 HydrophobicContact CD1-CD1 4.21Å; L506-L509 HydrophobicContact CD1-CD2 3.89Å; L506-L509 WeakPolarHBondContact O-CB 3.15Å; L506-L509 PolarHBondContact O-N 2.91Å; L509-Q511 WeakPolarHBondContact CD1-O 3.34Å; L509-I512 HydrophobicContact CD1-CB 4.41Å; L509-I512 HydrophobicContact CD2-CB 3.89Å; L509-I512 HydrophobicContact CD2-CD1 4.19Å; L509-I512 HydrophobicContact CD2-CG2 3.94Å; L509-I512 HydrophobicContact CG-CB 4.31Å; L509-W531 HydrophobicContact CD2-CH2 3.65Å; L509-W531 HydrophobicContact CD2-CZ2 3.85Å; L509-T539 HydrophobicContact CD2-CG2 4.44Å; L509-T539 HydrophobicContact CG-CG2 4.21Å; L509-T539 WeakPolarHBondContact O-CG2 3.42Å; L509-T539 PolarHBondContact O-OG1 3.05Å
510	T	71.9	Confident	83.4	Confident	71 Å²	71	43.3 Å²	43.3	44%	0.436	24%	0.239	S	C	.	.	S	Bend	trans	-98.8	-19.8	175	60	0	0	0	0	113	T485 L508 T539 V540	T485-T510 PolarHBondContact O-N 3.19Å; T485-T510 PolarHBondContact O-OG1 2.8Å; T485-T510 VanDerWaalsContact O-OG1 3.11Å; L508-T510 PolarHBondContact O-N 3.17Å; T510-T539 CarbonylContact O-C 3.23Å; T510-T539 VanDerWaalsContact O-CA 3.3Å; T510-T539 WeakPolarHBondContact O-CA 3.48Å; T510-V540 PolarHBondContact O-N 2.95Å
511	Q	75.9	Confident	83.8	Confident	25 Å²	25	39.7 Å²	39.7	12%	0.117	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	138.8	173	178.1	163.4	12.7	0	0	112.1	T485 K486 V487 L509 D513 V540	T485-Q511 PolarHBondContact O-N 3.46Å; K486-Q511 WeakPolarHBondContact CA-O 3.03Å; K486-Q511 HydrophobicContact CB-CB 4.37Å; K486-Q511 HydrophobicContact CD-CB 4.12Å; K486-Q511 HydrophobicContact CD-CG 4.07Å; K486-Q511 VanDerWaalsContact CE-OE1 3.28Å; K486-Q511 HydrophobicContact CG-CB 4.02Å; K486-Q511 HydrophobicContact CG-CG 4.16Å; K486-Q511 VanDerWaalsContact NZ-NE2 3.16Å; V487-Q511 PolarHBondContact N-O 2.91Å; V487-Q511 VanDerWaalsContact N-O 3.14Å; L509-Q511 WeakPolarHBondContact CD1-O 3.34Å; Q511-D513 VanDerWaalsContact CD-OD1 3.25Å; Q511-D513 WeakPolarHBondContact CG-OD1 3.48Å; Q511-D513 PolarHBondContact NE2-OD1 3.3Å; Q511-V540 WeakPolarHBondContact CA-O 3.48Å; Q511-V540 HydrophobicContact CB-CB 4.24Å; Q511-V540 HydrophobicContact CG-CB 4.04Å; Q511-V540 HydrophobicContact CG-CG1 4.42Å
512	I	84.1	Confident	84.2	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	121.6	171	-172.4	176	0	0	0	111.6	V487 L503 L509 L514 W531 L535 T539 V540 T541	V487-I512 HydrophobicContact CB-CG1 4.45Å; V487-I512 WeakPolarHBondContact O-CA 3.12Å; L503-I512 HydrophobicContact CD2-CD1 3.85Å; L509-I512 HydrophobicContact CD1-CB 4.41Å; L509-I512 HydrophobicContact CD2-CB 3.89Å; L509-I512 HydrophobicContact CD2-CD1 4.19Å; L509-I512 HydrophobicContact CD2-CG2 3.94Å; L509-I512 HydrophobicContact CG-CB 4.31Å; I512-L514 HydrophobicContact CD1-CD1 4.06Å; I512-L514 HydrophobicContact CD1-CD2 4.4Å; I512-L514 HydrophobicContact CD1-CG 4.29Å; I512-L514 HydrophobicContact CG1-CD1 4.24Å; I512-L514 HydrophobicContact CG1-CD2 4.45Å; I512-L514 HydrophobicContact CG1-CG 4.07Å; I512-W531 HydrophobicContact CD1-CH2 3.86Å; I512-W531 HydrophobicContact CD1-CZ3 4.25Å; I512-W531 HydrophobicContact CG2-CH2 4.09Å; I512-W531 HydrophobicContact CG2-CZ3 4.31Å; I512-L535 HydrophobicContact CG2-CD1 4.34Å; I512-T539 HydrophobicContact CG2-CG2 4.41Å; I512-V540 PolarHBondContact N-O 3.11Å; I512-T541 HydrophobicContact CG2-CG2 4.14Å; I512-T541 WeakPolarHBondContact CG2-OG1 3.38Å; I512-T541 WeakPolarHBondContact O-CA 3.32Å
513	D	80.4	Confident	84.2	Confident	4 Å²	4	40.4 Å²	40.4	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	113.1	-169.6	-45.6	-34.4	0	0	0	108.7	K486 V487 N488 L489 K490 Q511 D542	K486-D513 WeakPolarHBondContact CE-OD2 3.2Å; K486-D513 IonicContact NZ-OD2 3.2Å; V487-D513 PolarHBondContact O-N 3.31Å; N488-D513 HydrophobicContact CB-CB 4.05Å; N488-D513 VanDerWaalsContact CB-OD2 3.27Å; N488-D513 WeakPolarHBondContact CB-OD2 3.33Å; N488-D513 VanDerWaalsContact CG-CB 3.49Å; N488-D513 WeakPolarHBondContact ND2-CB 3.45Å; N488-D513 PolarHBondContact ND2-OD2 3.22Å; L489-D513 CarbonylContact C-O 3.59Å; L489-D513 WeakPolarHBondContact CA-O 3.31Å; L489-D513 PolarHBondContact N-O 3.26Å; K490-D513 PolarHBondContact N-O 3.47Å; Q511-D513 VanDerWaalsContact CD-OD1 3.25Å; Q511-D513 WeakPolarHBondContact CG-OD1 3.48Å; Q511-D513 PolarHBondContact NE2-OD1 3.3Å; D513-D542 VanDerWaalsContact CA-OD2 3.26Å; D513-D542 WeakPolarHBondContact CA-OD2 3.39Å; D513-D542 VanDerWaalsContact CB-OD2 3.3Å; D513-D542 WeakPolarHBondContact CB-OD2 3.47Å
514	L	88.1	Confident	84.2	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.255	C	S	.	.			trans	-125.3	5.3	-167.4	-72.5	172.7	0	0	0	114.7	L489 L497 I512 W519 I544	L489-L514 HydrophobicContact CB-CD2 4.09Å; L489-L514 HydrophobicContact CD1-CD2 4.03Å; L497-L514 HydrophobicContact CD2-CD2 3.81Å; I512-L514 HydrophobicContact CD1-CD1 4.06Å; I512-L514 HydrophobicContact CD1-CD2 4.4Å; I512-L514 HydrophobicContact CD1-CG 4.29Å; I512-L514 HydrophobicContact CG1-CD1 4.24Å; I512-L514 HydrophobicContact CG1-CD2 4.45Å; I512-L514 HydrophobicContact CG1-CG 4.07Å; L514-W519 HydrophobicContact CB-CZ2 4.08Å; L514-W519 HydrophobicContact CD2-CH2 4.21Å; L514-W519 HydrophobicContact CD2-CZ2 4.05Å; L514-W519 WeakPolarHBondContact O-CZ2 3.35Å; L514-W519 PolarHBondContact O-NE1 3.33Å; L514-I544 HydrophobicContact CB-CD1 3.65Å; L514-I544 HydrophobicContact CB-CG1 4.01Å; L514-I544 HydrophobicContact CD1-CD1 3.63Å; L514-I544 HydrophobicContact CG-CD1 4.27Å
515	E	85	Confident	84.5	Confident	52 Å²	52	42.5 Å²	42.5	24%	0.243	24%	0.236	C	C	.	.			trans	-62.2	170.8	-179.6	-150.1	-166.8	129	0	0	113.2	K490 T491 N517 D542	K490-E515 WeakPolarHBondContact CA-O 3.37Å; K490-E515 HydrophobicContact CD-CB 3.85Å; K490-E515 WeakPolarHBondContact CE-OE1 3.34Å; K490-E515 WeakPolarHBondContact CE-OE2 3.39Å; K490-E515 HydrophobicContact CG-CB 4Å; K490-E515 IonicContact NZ-OE1 3.11Å; K490-E515 PolarHBondContact NZ-OE1 3.2Å; K490-E515 IonicContact NZ-OE2 2.96Å; K490-E515 PolarHBondContact NZ-OE2 3.46Å; T491-E515 PolarHBondContact N-O 3.32Å; T491-E515 VanDerWaalsContact N-O 3.07Å; E515-N517 PolarHBondContact O-N 3.46Å; E515-N517 VanDerWaalsContact O-N 3.08Å; E515-N517 PolarHBondContact O-ND2 3Å; E515-D542 HydrophobicContact CB-CB 4.11Å; E515-D542 HydrophobicContact CG-CB 4.46Å
516	D	85.3	Confident	84.9	Confident	97 Å²	97	41.2 Å²	41.2	52%	0.519	23%	0.23	S	C	.	.	S	Bend	trans	51.1	32.9	175.3	-72.9	-36	0	0	0	115.5	K490 T491	K490-D516 WeakPolarHBondContact CE-OD2 3.48Å; K490-D516 HydrophobicContact CG-CB 4.28Å; K490-D516 IonicContact NZ-OD2 3.22Å; T491-D516 WeakPolarHBondContact CA-O 3.46Å; T491-D516 HydrophobicContact CG2-CB 4.31Å; T491-D516 WeakPolarHBondContact OG1-CB 3.47Å; T491-D516 PolarHBondContact OG1-OD2 3.47Å
517	N	91.4	Very high	85.1	Confident	7 Å²	7	42.2 Å²	42.2	4%	0.037	24%	0.244	C	C	.	.			trans	-112.8	145.8	176.2	-86.7	-86.1	0	0	0	111	L489 N492 Q493 F494 E515 W519	L489-N517 PolarHBondContact O-ND2 3Å; N492-N517 VanDerWaalsContact CA-OD1 3.24Å; N492-N517 WeakPolarHBondContact CA-OD1 3.43Å; N492-N517 WeakPolarHBondContact CB-OD1 3.18Å; N492-N517 PolarHBondContact N-ND2 2.75Å; N492-N517 PolarHBondContact N-OD1 3.32Å; N492-N517 PolarHBondContact O-OD1 2.91Å; Q493-N517 PolarHBondContact N-OD1 3.17Å; F494-N517 HydrophobicContact CB-CB 4.3Å; F494-N517 WeakPolarHBondContact CB-OD1 3.23Å; F494-N517 VanDerWaalsContact CD2-OD1 3.27Å; F494-N517 WeakPolarHBondContact CD2-OD1 3.24Å; F494-N517 PolarHBondContact N-OD1 3.1Å; E515-N517 PolarHBondContact O-N 3.46Å; E515-N517 VanDerWaalsContact O-N 3.08Å; E515-N517 PolarHBondContact O-ND2 3Å; N517-W519 HydrophobicContact CB-CD2 4.19Å; N517-W519 VanDerWaalsContact CB-CE2 3.49Å; N517-W519 HydrophobicContact CB-CG 4.42Å; N517-W519 HydrophobicContact CB-CZ2 3.78Å; N517-W519 VanDerWaalsContact CB-NE1 3.33Å; N517-W519 PolarHBondContact O-N 3.2Å
518	P	92.6	Very high	85.5	Confident	47 Å²	47	35 Å²	35	31%	0.305	21%	0.205	S	C	.	.			trans	-78.8	57.1	-174.3	34.6	-38.7	0	0	0	112.7	F494 T495 D520	F494-P518 CarbonylContact O-C 3.56Å; F494-P518 VanDerWaalsContact O-CD 3.31Å; F494-P518 WeakPolarHBondContact O-CD 3.4Å; T495-P518 HydrophobicContact CG2-CG 4.49Å; P518-D520 PolarHBondContact O-N 3.06Å
519	W	93.2	Very high	85.9	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.008	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	126.6	-172.2	-62.6	109.8	0	0	0	112.9	F494 L497 L514 N517 L525 L528 I544 T547 S548	F494-W519 HydrophobicContact CB-CE3 4.44Å; F494-W519 HydrophobicContact CB-CH2 3.68Å; F494-W519 HydrophobicContact CB-CZ2 4.23Å; F494-W519 HydrophobicContact CB-CZ3 3.8Å; F494-W519 HydrophobicContact CG-CH2 4.39Å; L497-W519 HydrophobicContact CB-CH2 3.88Å; L497-W519 HydrophobicContact CB-CZ3 3.78Å; L497-W519 HydrophobicContact CD2-CH2 4.28Å; L514-W519 HydrophobicContact CB-CZ2 4.08Å; L514-W519 HydrophobicContact CD2-CH2 4.21Å; L514-W519 HydrophobicContact CD2-CZ2 4.05Å; L514-W519 WeakPolarHBondContact O-CZ2 3.35Å; L514-W519 PolarHBondContact O-NE1 3.33Å; N517-W519 HydrophobicContact CB-CD2 4.19Å; N517-W519 VanDerWaalsContact CB-CE2 3.49Å; N517-W519 HydrophobicContact CB-CG 4.42Å; N517-W519 HydrophobicContact CB-CZ2 3.78Å; N517-W519 VanDerWaalsContact CB-NE1 3.33Å; N517-W519 PolarHBondContact O-N 3.2Å; W519-L525 HydrophobicContact CB-CD2 4.25Å; W519-L525 HydrophobicContact CE3-CD1 3.88Å; W519-L525 HydrophobicContact CE3-CD2 4.44Å; W519-L525 HydrophobicContact CZ3-CD1 4.19Å; W519-L528 HydrophobicContact CE3-CD2 4.31Å; W519-L528 HydrophobicContact CH2-CD2 4.13Å; W519-L528 HydrophobicContact CZ3-CD2 3.88Å; W519-I544 HydrophobicContact CD2-CG2 4.06Å; W519-I544 HydrophobicContact CG-CG2 3.8Å; W519-T547 PolarHBondContact O-N 3.24Å; W519-S548 PolarHBondContact O-N 3.15Å
520	D	91.3	Very high	86.2	Confident	44 Å²	44	34.5 Å²	34.5	24%	0.235	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	99.1	169.8	-173.2	51.4	0	0	0	109.3	T495 P518 S522 S548	T495-D520 PolarHBondContact O-N 3.35Å; P518-D520 PolarHBondContact O-N 3.06Å; D520-S522 VanDerWaalsContact CG-OG 3.25Å; D520-S522 PolarHBondContact O-N 3.04Å; D520-S522 PolarHBondContact OD1-OG 3.12Å; D520-S522 WeakPolarHBondContact OD2-CB 3.47Å; D520-S522 PolarHBondContact OD2-OG 3.36Å; D520-S548 CarbonylContact C-O 3.27Å; D520-S548 WeakPolarHBondContact CA-O 3.23Å; D520-S548 VanDerWaalsContact OD1-C 3.27Å; D520-S548 WeakPolarHBondContact OD1-CB 3.36Å; D520-S548 PolarHBondContact OD1-OG 3.04Å
521	C	90	Very high	86.9	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.007	18%	0.183	C	C	.	.			trans	-77	53.7	178.9	-66.6	0	0	0	0	111.7	L525 C546 S548 L552 L560 L565	C521-L525 HydrophobicContact CB-CD2 4.34Å; C521-L525 VanDerWaalsContact SG-CD2 3.58Å; C521-C546 HydrophobicContact CB-CB 3.74Å; C521-C546 WeakPolarHBondContact CB-SG 3.46Å; C521-C546 VanDerWaalsContact SG-CA 3.51Å; C521-C546 WeakPolarHBondContact SG-CB 3.27Å; C521-C546 CovalentContact SG-SG 2.01Å; C521-C546 PolarHBondContact SG-SG 3.34Å; C521-S548 PolarHBondContact N-O 3.22Å; C521-L552 HydrophobicContact CB-CD1 4.04Å; C521-L552 WeakPolarHBondContact O-CD1 3.18Å; C521-L560 HydrophobicContact CB-CD1 4.23Å; C521-L565 HydrophobicContact CB-CD2 3.63Å; C521-L565 VanDerWaalsContact O-CD2 3.26Å; C521-L565 WeakPolarHBondContact O-CD2 3.42Å
522	S	89.1	Confident	87.3	Confident	35 Å²	35	32.1 Å²	32.1	25%	0.245	18%	0.183	C	C	.	.	S	Bend	trans	-95.8	-173.4	169.4	-65.1	0	0	0	0	110.2	D520 D524 L525 L565	D520-S522 VanDerWaalsContact CG-OG 3.25Å; D520-S522 PolarHBondContact O-N 3.04Å; D520-S522 PolarHBondContact OD1-OG 3.12Å; D520-S522 WeakPolarHBondContact OD2-CB 3.47Å; D520-S522 PolarHBondContact OD2-OG 3.36Å; S522-D524 VanDerWaalsContact C-N 3.25Å; S522-D524 PolarHBondContact O-N 3.15Å; S522-D524 VanDerWaalsContact O-N 3.15Å; S522-L525 PolarHBondContact O-N 3.33Å; S522-L525 VanDerWaalsContact O-N 3.16Å; S522-L565 CarbonylContact C-O 3.53Å
523	C	86.8	Confident	87	Confident	62 Å²	62	37.1 Å²	37.1	42%	0.419	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-51.8	-37.2	-178.9	-95.3	0	0	0	0	115.2	L525 V526 L565 C566	C523-L525 PolarHBondContact O-N 3.37Å; C523-V526 WeakPolarHBondContact O-CB 3.41Å; C523-V526 WeakPolarHBondContact O-CG2 3.03Å; C523-V526 PolarHBondContact O-N 3Å; C523-L565 PolarHBondContact N-O 3.46Å; C523-C566 WeakPolarHBondContact CA-SG 3.42Å; C523-C566 HydrophobicContact CB-CB 4.42Å; C523-C566 WeakPolarHBondContact CB-SG 3.22Å; C523-C566 WeakPolarHBondContact SG-CA 3.45Å; C523-C566 WeakPolarHBondContact SG-CB 3.41Å; C523-C566 CovalentContact SG-SG 2.04Å; C523-C566 PolarHBondContact SG-SG 3.48Å
524	D	84.1	Confident	86.8	Confident	121 Å²	121	44.7 Å²	44.7	65%	0.647	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-67.2	-19.3	-174.9	-56.6	-61.1	0	0	0	113	S522	S522-D524 VanDerWaalsContact C-N 3.25Å; S522-D524 PolarHBondContact O-N 3.15Å; S522-D524 VanDerWaalsContact O-N 3.15Å
525	L	87.8	Confident	86	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-87.5	-7	179.7	-147.3	64.2	0	0	0	114	H496 W519 C521 S522 C523 G527 L528 Q529 L557	H496-L525 HydrophobicContact CB-CD1 4.03Å; W519-L525 HydrophobicContact CB-CD2 4.25Å; W519-L525 HydrophobicContact CE3-CD1 3.88Å; W519-L525 HydrophobicContact CE3-CD2 4.44Å; W519-L525 HydrophobicContact CZ3-CD1 4.19Å; C521-L525 HydrophobicContact CB-CD2 4.34Å; C521-L525 VanDerWaalsContact SG-CD2 3.58Å; S522-L525 PolarHBondContact O-N 3.33Å; S522-L525 VanDerWaalsContact O-N 3.16Å; C523-L525 PolarHBondContact O-N 3.37Å; L525-G527 PolarHBondContact O-N 2.95Å; L525-L528 HydrophobicContact CD1-CB 4.1Å; L525-L528 HydrophobicContact CD1-CD2 3.66Å; L525-L528 HydrophobicContact CG-CB 4.32Å; L525-L528 HydrophobicContact CG-CD2 4.22Å; L525-L528 PolarHBondContact O-N 3.38Å; L525-L528 VanDerWaalsContact O-N 3.13Å; L525-Q529 PolarHBondContact O-N 3.32Å; L525-L557 HydrophobicContact CD2-CD1 3.85Å; L525-L557 HydrophobicContact CD2-CD2 3.78Å; L525-L557 HydrophobicContact CD2-CG 4.43Å; L525-L557 HydrophobicContact CG-CD1 4.22Å; L525-L557 HydrophobicContact CG-CD2 3.89Å
526	V	86.8	Confident	84.7	Confident	14 Å²	14	47.2 Å²	47.2	9%	0.085	26%	0.259	C	S	.	.	H	α-helix	trans	-59.4	-32.6	177.4	173.6	0	0	0	0	112	C523 Q530 L565 C566	C523-V526 WeakPolarHBondContact O-CB 3.41Å; C523-V526 WeakPolarHBondContact O-CG2 3.03Å; C523-V526 PolarHBondContact O-N 3Å; V526-Q530 HydrophobicContact CG1-CG 4.47Å; V526-Q530 WeakPolarHBondContact O-CB 3.39Å; V526-Q530 WeakPolarHBondContact O-CG 3.06Å; V526-Q530 PolarHBondContact O-N 3.41Å; V526-L565 HydrophobicContact CG2-CB 3.57Å; V526-L565 HydrophobicContact CG2-CD1 3.95Å; V526-L565 HydrophobicContact CG2-CG 4.42Å; V526-C566 HydrophobicContact CG2-CB 4.44Å
527	G	85.6	Confident	82.9	Confident	36 Å²	36	48 Å²	48	37%	0.371	26%	0.258	S	S	.	.	H	α-helix	trans	-62.8	-49.5	174	0	0	0	0	0	112.2	V499 L525 Q530 W531	V499-G527 WeakPolarHBondContact CG2-O 2.93Å; L525-G527 PolarHBondContact O-N 2.95Å; G527-Q530 PolarHBondContact O-N 2.91Å; G527-W531 PolarHBondContact O-N 2.79Å
528	L	87.8	Confident	80.9	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-62.3	-45.2	178.4	-175.1	67.9	0	0	0	111.5	L497 V499 L503 W519 L525 Q530 W531 I532 I544 L557	L497-L528 HydrophobicContact CB-CD1 4.49Å; L497-L528 HydrophobicContact CB-CD2 4.33Å; L497-L528 HydrophobicContact CD2-CD1 4.49Å; V499-L528 HydrophobicContact CG2-CB 4.47Å; V499-L528 HydrophobicContact CG2-CD1 4.37Å; L503-L528 HydrophobicContact CD1-CD1 3.53Å; W519-L528 HydrophobicContact CE3-CD2 4.31Å; W519-L528 HydrophobicContact CH2-CD2 4.13Å; W519-L528 HydrophobicContact CZ3-CD2 3.88Å; L525-L528 HydrophobicContact CD1-CB 4.1Å; L525-L528 HydrophobicContact CD1-CD2 3.66Å; L525-L528 HydrophobicContact CG-CB 4.32Å; L525-L528 HydrophobicContact CG-CD2 4.22Å; L525-L528 PolarHBondContact O-N 3.38Å; L525-L528 VanDerWaalsContact O-N 3.13Å; L528-Q530 PolarHBondContact O-N 2.9Å; L528-W531 HydrophobicContact CD1-CE3 4.17Å; L528-W531 PolarHBondContact O-N 3.13Å; L528-I532 HydrophobicContact CD1-CD1 4.24Å; L528-I532 HydrophobicContact CD2-CD1 4.48Å; L528-I532 HydrophobicContact CG-CD1 3.88Å; L528-I532 WeakPolarHBondContact O-CG1 3.43Å; L528-I532 PolarHBondContact O-N 2.97Å; L528-I544 HydrophobicContact CD2-CD1 4.21Å; L528-L557 HydrophobicContact CD2-CD2 4.06Å; L528-L557 HydrophobicContact CG-CD2 4.27Å
529	Q	87.3	Confident	79.1	Confident	2 Å²	2	52 Å²	52	1%	0.009	28%	0.278	C	S	.	.	H	α-helix	trans	-52.5	-51	174.2	-177.3	-136.3	7.5	0	0	111.6	L525 W531 I532 Q533 L557 L560 S562 L565	L525-Q529 PolarHBondContact O-N 3.32Å; Q529-W531 PolarHBondContact O-N 3.32Å; Q529-I532 PolarHBondContact O-N 3.46Å; Q529-Q533 VanDerWaalsContact O-CG 3.31Å; Q529-Q533 WeakPolarHBondContact O-CG 3.42Å; Q529-Q533 PolarHBondContact O-N 2.9Å; Q529-Q533 VanDerWaalsContact O-N 3.08Å; Q529-L557 HydrophobicContact CB-CD1 4.04Å; Q529-L557 HydrophobicContact CB-CD2 4.37Å; Q529-L557 HydrophobicContact CB-CG 4.08Å; Q529-L557 HydrophobicContact CG-CD1 4.28Å; Q529-L557 HydrophobicContact CG-CG 4.34Å; Q529-L560 PolarHBondContact NE2-O 3.06Å; Q529-S562 PolarHBondContact NE2-OG 2.8Å; Q529-S562 PolarHBondContact OE1-OG 3.38Å; Q529-L565 HydrophobicContact CB-CD1 4.04Å; Q529-L565 HydrophobicContact CG-CD1 3.9Å
530	Q	85.4	Confident	77.6	Confident	104 Å²	104	55.7 Å²	55.7	49%	0.486	30%	0.3	S	S	.	.	H	α-helix	trans	-68	-32.2	179.3	-71.9	177.6	7.1	0	0	113.2	V526 G527 L528 K534	V526-Q530 HydrophobicContact CG1-CG 4.47Å; V526-Q530 WeakPolarHBondContact O-CB 3.39Å; V526-Q530 WeakPolarHBondContact O-CG 3.06Å; V526-Q530 PolarHBondContact O-N 3.41Å; G527-Q530 PolarHBondContact O-N 2.91Å; L528-Q530 PolarHBondContact O-N 2.9Å; Q530-K534 VanDerWaalsContact O-CB 3.23Å; Q530-K534 WeakPolarHBondContact O-CB 3.4Å; Q530-K534 PolarHBondContact O-N 2.66Å
531	W	86.8	Confident	76.6	Confident	23 Å²	23	55 Å²	55	9%	0.087	30%	0.298	C	S	.	.	H	α-helix	trans	-71.3	-41.8	176.1	179.3	89.4	0	0	0	111.9	V499 L503 L509 I512 G527 L528 Q529 Q533 K534 L535	V499-W531 HydrophobicContact CB-CB 4.27Å; V499-W531 HydrophobicContact CB-CG 4.41Å; V499-W531 HydrophobicContact CG1-CB 3.87Å; V499-W531 HydrophobicContact CG1-CG 3.73Å; V499-W531 HydrophobicContact CG2-CB 3.41Å; V499-W531 VanDerWaalsContact CG2-CB 3.41Å; V499-W531 HydrophobicContact CG2-CD2 4.32Å; V499-W531 HydrophobicContact CG2-CG 3.75Å; L503-W531 HydrophobicContact CB-CD2 4.14Å; L503-W531 HydrophobicContact CB-CH2 4.15Å; L503-W531 HydrophobicContact CB-CZ2 3.67Å; L503-W531 HydrophobicContact CD1-CD2 4.2Å; L503-W531 HydrophobicContact CD1-CE3 3.9Å; L503-W531 HydrophobicContact CD1-CH2 4.13Å; L503-W531 HydrophobicContact CD1-CZ2 4.42Å; L503-W531 HydrophobicContact CD1-CZ3 3.87Å; L503-W531 HydrophobicContact CD2-CH2 4.15Å; L503-W531 HydrophobicContact CD2-CZ2 4.41Å; L503-W531 HydrophobicContact CG-CH2 4.38Å; L503-W531 HydrophobicContact CG-CZ2 4.39Å; L509-W531 HydrophobicContact CD2-CH2 3.65Å; L509-W531 HydrophobicContact CD2-CZ2 3.85Å; I512-W531 HydrophobicContact CD1-CH2 3.86Å; I512-W531 HydrophobicContact CD1-CZ3 4.25Å; I512-W531 HydrophobicContact CG2-CH2 4.09Å; I512-W531 HydrophobicContact CG2-CZ3 4.31Å; G527-W531 PolarHBondContact O-N 2.79Å; L528-W531 HydrophobicContact CD1-CE3 4.17Å; L528-W531 PolarHBondContact O-N 3.13Å; Q529-W531 PolarHBondContact O-N 3.32Å; W531-Q533 VanDerWaalsContact C-N 3.32Å; W531-Q533 PolarHBondContact O-N 2.86Å; W531-K534 CarbonylContact O-C 3.55Å; W531-K534 WeakPolarHBondContact O-CA 3.34Å; W531-K534 WeakPolarHBondContact O-CB 3.47Å; W531-K534 PolarHBondContact O-N 3.36Å; W531-L535 HydrophobicContact CD2-CD2 4.35Å; W531-L535 HydrophobicContact CD2-CG 4.31Å; W531-L535 HydrophobicContact CE3-CD1 4.15Å; W531-L535 HydrophobicContact CE3-CD2 4.46Å; W531-L535 HydrophobicContact CE3-CG 4.17Å; W531-L535 HydrophobicContact CH2-CD1 4.05Å; W531-L535 HydrophobicContact CH2-CD2 3.79Å; W531-L535 HydrophobicContact CH2-CG 4.23Å; W531-L535 HydrophobicContact CZ2-CD2 3.63Å; W531-L535 HydrophobicContact CZ2-CG 4.35Å; W531-L535 HydrophobicContact CZ3-CD1 3.76Å; W531-L535 HydrophobicContact CZ3-CD2 4.21Å; W531-L535 HydrophobicContact CZ3-CG 4.13Å; W531-L535 PolarHBondContact O-N 2.9Å
532	I	83.8	Confident	75.6	Confident	22 Å²	22	57.3 Å²	57.3	11%	0.113	31%	0.31	C	S	.	.	H	α-helix	trans	-62.6	-40.3	174.2	-66.5	168	0	0	0	111	L528 Q529 K534 L535 I544 L557 K558	L528-I532 HydrophobicContact CD1-CD1 4.24Å; L528-I532 HydrophobicContact CD2-CD1 4.48Å; L528-I532 HydrophobicContact CG-CD1 3.88Å; L528-I532 WeakPolarHBondContact O-CG1 3.43Å; L528-I532 PolarHBondContact O-N 2.97Å; Q529-I532 PolarHBondContact O-N 3.46Å; I532-K534 PolarHBondContact O-N 2.78Å; I532-L535 PolarHBondContact O-N 3.04Å; I532-I544 HydrophobicContact CD1-CD1 3.36Å; I532-I544 HydrophobicContact CD1-CG1 4.33Å; I532-L557 HydrophobicContact CD1-CD2 4.32Å; I532-K558 HydrophobicContact CG2-CG 4.35Å
533	Q	78.3	Confident	75	Confident	106 Å²	106	58.5 Å²	58.5	50%	0.495	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-15.1	173.1	-70.3	172.6	-5.8	0	0	113.8	Q529 W531 K558	Q529-Q533 VanDerWaalsContact O-CG 3.31Å; Q529-Q533 WeakPolarHBondContact O-CG 3.42Å; Q529-Q533 PolarHBondContact O-N 2.9Å; Q529-Q533 VanDerWaalsContact O-N 3.08Å; W531-Q533 VanDerWaalsContact C-N 3.32Å; W531-Q533 PolarHBondContact O-N 2.86Å; Q533-K558 PolarHBondContact NE2-O 3.13Å
534	K	76.9	Confident	74.9	Confident	163 Å²	163	55.7 Å²	55.7	71%	0.709	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-10.9	-179.6	-174.5	-170.3	167.6	-149.6	0	112.9	Q530 W531 I532	Q530-K534 VanDerWaalsContact O-CB 3.23Å; Q530-K534 WeakPolarHBondContact O-CB 3.4Å; Q530-K534 PolarHBondContact O-N 2.66Å; W531-K534 CarbonylContact O-C 3.55Å; W531-K534 WeakPolarHBondContact O-CA 3.34Å; W531-K534 WeakPolarHBondContact O-CB 3.47Å; W531-K534 PolarHBondContact O-N 3.36Å; I532-K534 PolarHBondContact O-N 2.78Å
535	L	71.3	Confident	75.1	Confident	37 Å²	37	53.9 Å²	53.9	19%	0.194	29%	0.285	C	S	.	.	S	Bend	trans	-55.1	153.5	178.3	-87.5	179.2	0	0	0	111.5	I512 W531 I532 T539 T541	I512-L535 HydrophobicContact CG2-CD1 4.34Å; W531-L535 HydrophobicContact CD2-CD2 4.35Å; W531-L535 HydrophobicContact CD2-CG 4.31Å; W531-L535 HydrophobicContact CE3-CD1 4.15Å; W531-L535 HydrophobicContact CE3-CD2 4.46Å; W531-L535 HydrophobicContact CE3-CG 4.17Å; W531-L535 HydrophobicContact CH2-CD1 4.05Å; W531-L535 HydrophobicContact CH2-CD2 3.79Å; W531-L535 HydrophobicContact CH2-CG 4.23Å; W531-L535 HydrophobicContact CZ2-CD2 3.63Å; W531-L535 HydrophobicContact CZ2-CG 4.35Å; W531-L535 HydrophobicContact CZ3-CD1 3.76Å; W531-L535 HydrophobicContact CZ3-CD2 4.21Å; W531-L535 HydrophobicContact CZ3-CG 4.13Å; W531-L535 PolarHBondContact O-N 2.9Å; I532-L535 PolarHBondContact O-N 3.04Å; L535-T539 HydrophobicContact CD1-CG2 4.1Å; L535-T539 HydrophobicContact CD2-CG2 3.99Å; L535-T541 WeakPolarHBondContact CD1-OG1 3.42Å
536	S	56.5	Low	75.2	Confident	67 Å²	67	54 Å²	54	47%	0.469	29%	0.285	S	S	.	.			trans	-65.1	143.1	177.1	95.7	0	0	0	0	109.6	N538 T539	S536-N538 PolarHBondContact O-N 2.93Å; S536-N538 PolarHBondContact OG-N 2.81Å; S536-T539 WeakPolarHBondContact O-CB 3.45Å; S536-T539 PolarHBondContact O-N 3.04Å; S536-T539 PolarHBondContact O-OG1 2.9Å; S536-T539 PolarHBondContact OG-N 3.16Å; S536-T539 PolarHBondContact OG-OG1 3.4Å
537	K	48.5	Very low	75.4	Confident	113 Å²	113	56.7 Å²	56.7	49%	0.491	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	9.9	175.2	-53.5	-172.6	-170.5	-176.3	0	114.4	E38 K40	E38-K537 VanDerWaalsContact OE2-CE 3.25Å; E38-K537 WeakPolarHBondContact OE2-CE 3.44Å; E38-K537 IonicContact OE2-NZ 3.94Å; E38-K537 PolarHBondContact OE2-NZ 3.25Å; K40-K537 HydrophobicContact CD-CB 4.16Å; K40-K537 HydrophobicContact CD-CD 4.42Å
538	N	49.6	Very low	75.5	Confident	118 Å²	118	57.2 Å²	57.2	63%	0.631	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	-6.3	168.4	-79.6	7	0	0	0	111.9	K40 S536 V540	K40-N538 PolarHBondContact NZ-OD1 2.89Å; S536-N538 PolarHBondContact O-N 2.93Å; S536-N538 PolarHBondContact OG-N 2.81Å; N538-V540 PolarHBondContact O-N 2.7Å
539	T	54.6	Low	75.4	Confident	20 Å²	20	59.2 Å²	59.2	12%	0.123	31%	0.313	C	S	.	.			trans	-83.9	110.6	178.2	-50.5	0	0	0	0	108.4	L509 T510 I512 L535 S536	L509-T539 HydrophobicContact CD2-CG2 4.44Å; L509-T539 HydrophobicContact CG-CG2 4.21Å; L509-T539 WeakPolarHBondContact O-CG2 3.42Å; L509-T539 PolarHBondContact O-OG1 3.05Å; T510-T539 CarbonylContact O-C 3.23Å; T510-T539 VanDerWaalsContact O-CA 3.3Å; T510-T539 WeakPolarHBondContact O-CA 3.48Å; I512-T539 HydrophobicContact CG2-CG2 4.41Å; L535-T539 HydrophobicContact CD1-CG2 4.1Å; L535-T539 HydrophobicContact CD2-CG2 3.99Å; S536-T539 WeakPolarHBondContact O-CB 3.45Å; S536-T539 PolarHBondContact O-N 3.04Å; S536-T539 PolarHBondContact O-OG1 2.9Å; S536-T539 PolarHBondContact OG-N 3.16Å; S536-T539 PolarHBondContact OG-OG1 3.4Å
540	V	60.9	Low	75.3	Confident	80 Å²	80	70 Å²	70	49%	0.485	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	135.9	174.7	-178.6	0	0	0	0	108.9	T510 Q511 I512 N538	T510-V540 PolarHBondContact O-N 2.95Å; Q511-V540 WeakPolarHBondContact CA-O 3.48Å; Q511-V540 HydrophobicContact CB-CB 4.24Å; Q511-V540 HydrophobicContact CG-CB 4.04Å; Q511-V540 HydrophobicContact CG-CG1 4.42Å; I512-V540 PolarHBondContact N-O 3.11Å; N538-V540 PolarHBondContact O-N 2.7Å
541	T	71.9	Confident	75.3	Confident	31 Å²	31	72.9 Å²	72.9	19%	0.19	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	125.2	179.1	-56.6	0	0	0	0	109.2	I512 L535	I512-T541 HydrophobicContact CG2-CG2 4.14Å; I512-T541 WeakPolarHBondContact CG2-OG1 3.38Å; I512-T541 WeakPolarHBondContact O-CA 3.32Å; L535-T541 WeakPolarHBondContact CD1-OG1 3.42Å
542	D	68.3	Low	75.3	Confident	48 Å²	48	72.6 Å²	72.6	26%	0.257	37%	0.367	S	S	.	.			trans	-75.3	165.9	-178	-42.3	-53.6	0	0	0	112.5	D513 E515 I544	D513-D542 VanDerWaalsContact CA-OD2 3.26Å; D513-D542 WeakPolarHBondContact CA-OD2 3.39Å; D513-D542 VanDerWaalsContact CB-OD2 3.3Å; D513-D542 WeakPolarHBondContact CB-OD2 3.47Å; E515-D542 HydrophobicContact CB-CB 4.11Å; E515-D542 HydrophobicContact CG-CB 4.46Å; D542-I544 PolarHBondContact O-N 3.15Å
543	D	76.8	Confident	75.4	Confident	60 Å²	60	75.5 Å²	75.5	32%	0.321	38%	0.382	S	S	.	.			trans	-69	119.7	-174.4	-64.7	-36	0	0	0	112.9	L545 E556	D543-L545 PolarHBondContact O-N 2.83Å; D543-E556 HydrophobicContact CB-CG 4.25Å
544	I	85.4	Confident	75.6	Confident	4 Å²	4	78.2 Å²	78.2	2%	0.021	39%	0.393	C	S	.	.			trans	-88.4	95.3	179.5	-62.5	-164.2	0	0	0	109.6	L514 W519 L528 I532 D542 E556 L557	L514-I544 HydrophobicContact CB-CD1 3.65Å; L514-I544 HydrophobicContact CB-CG1 4.01Å; L514-I544 HydrophobicContact CD1-CD1 3.63Å; L514-I544 HydrophobicContact CG-CD1 4.27Å; W519-I544 HydrophobicContact CD2-CG2 4.06Å; W519-I544 HydrophobicContact CG-CG2 3.8Å; L528-I544 HydrophobicContact CD2-CD1 4.21Å; I532-I544 HydrophobicContact CD1-CD1 3.36Å; I532-I544 HydrophobicContact CD1-CG1 4.33Å; D542-I544 PolarHBondContact O-N 3.15Å; I544-E556 CarbonylContact O-C 3.22Å; I544-E556 WeakPolarHBondContact O-CA 3.47Å; I544-L557 HydrophobicContact CB-CB 4Å; I544-L557 HydrophobicContact CB-CD2 4.48Å; I544-L557 HydrophobicContact CG2-CB 3.78Å; I544-L557 HydrophobicContact CG2-CD2 3.82Å; I544-L557 HydrophobicContact CG2-CG 4.45Å; I544-L557 PolarHBondContact O-N 3.49Å
545	L	87.1	Confident	76	Confident	83 Å²	83	75 Å²	75	44%	0.435	38%	0.379	S	S	.	.	B	Isolated β-bridge	trans	-83.5	121.8	177	-60.6	-178.2	0	0	0	112.2	D543 E556	D543-L545 PolarHBondContact O-N 2.83Å; L545-E556 HydrophobicContact CD2-CB 4.26Å
546	C	90.3	Very high	76.7	Confident	1 Å²	1	74.8 Å²	74.8	1%	0.007	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	131.3	171.8	-62.2	0	0	0	0	111.5	C521 L552 D553 K554 K555 L560	C521-C546 HydrophobicContact CB-CB 3.74Å; C521-C546 WeakPolarHBondContact CB-SG 3.46Å; C521-C546 VanDerWaalsContact SG-CA 3.51Å; C521-C546 WeakPolarHBondContact SG-CB 3.27Å; C521-C546 CovalentContact SG-SG 2.01Å; C521-C546 PolarHBondContact SG-SG 3.34Å; C546-L552 HydrophobicContact CB-CB 4.32Å; C546-L552 WeakPolarHBondContact CB-O 3.24Å; C546-D553 CarbonylContact O-C 3.23Å; C546-D553 WeakPolarHBondContact O-CA 3.43Å; C546-K554 PolarHBondContact O-N 2.61Å; C546-K555 WeakPolarHBondContact CB-O 3.31Å; C546-K555 PolarHBondContact N-O 2.76Å; C546-K555 PolarHBondContact SG-O 3.4Å; C546-L560 VanDerWaalsContact SG-CD1 3.52Å
547	T	91.3	Very high	78.1	Confident	71 Å²	71	71.7 Å²	71.7	44%	0.436	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-27.7	172.9	-61	0	0	0	0	111.8	W519	W519-T547 PolarHBondContact O-N 3.24Å
548	S	87.3	Confident	79.7	Confident	47 Å²	47	70.7 Å²	70.7	33%	0.329	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	156.4	178.1	177	0	0	0	0	109.7	W519 D520 C521	W519-S548 PolarHBondContact O-N 3.15Å; D520-S548 CarbonylContact C-O 3.27Å; D520-S548 WeakPolarHBondContact CA-O 3.23Å; D520-S548 VanDerWaalsContact OD1-C 3.27Å; D520-S548 WeakPolarHBondContact OD1-CB 3.36Å; D520-S548 PolarHBondContact OD1-OG 3.04Å; C521-S548 PolarHBondContact N-O 3.22Å
549	P	86.4	Confident	81.2	Confident	44 Å²	44	68.8 Å²	68.8	29%	0.286	35%	0.351	S	S	.	.	S	Bend	cis	-66.1	160	-16.4	29.8	-36.5	0	0	0	112	H551 L552 D553	P549-H551 PolarHBondContact O-N 3.5Å; P549-L552 HydrophobicContact CG-CD1 4.19Å; P549-L552 HydrophobicContact CG-CG 4.36Å; P549-L552 WeakPolarHBondContact O-CA 3.49Å; P549-L552 PolarHBondContact O-N 3.03Å; P549-D553 PolarHBondContact O-N 2.95Å
550	R	85.2	Confident	82.5	Confident	229 Å²	229	68.3 Å²	68.3	86%	0.864	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-15.6	-174.5	-66.5	-174.5	-178.3	180	0.3	116.6	L552	R550-L552 VanDerWaalsContact C-N 3.32Å
551	H	84.8	Confident	83.3	Confident	164 Å²	164	69.5 Å²	69.5	76%	0.759	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-10.7	175.2	-57.6	-63.4	0	0	0	113.3	P549 K555	P549-H551 PolarHBondContact O-N 3.5Å; H551-K555 PolarHBondContact O-NZ 2.77Å
552	L	85.4	Confident	83.7	Confident	17 Å²	17	69.4 Å²	69.4	9%	0.089	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	1.8	176.9	-57.5	179.9	0	0	0	112.5	C521 C546 P549 R550 K554 K555 L560 L565	C521-L552 HydrophobicContact CB-CD1 4.04Å; C521-L552 WeakPolarHBondContact O-CD1 3.18Å; C546-L552 HydrophobicContact CB-CB 4.32Å; C546-L552 WeakPolarHBondContact CB-O 3.24Å; P549-L552 HydrophobicContact CG-CD1 4.19Å; P549-L552 HydrophobicContact CG-CG 4.36Å; P549-L552 WeakPolarHBondContact O-CA 3.49Å; P549-L552 PolarHBondContact O-N 3.03Å; R550-L552 VanDerWaalsContact C-N 3.32Å; L552-K554 PolarHBondContact O-N 3.12Å; L552-K555 HydrophobicContact CD2-CD 4.01Å; L552-K555 WeakPolarHBondContact O-CB 3.38Å; L552-K555 PolarHBondContact O-N 3.23Å; L552-L560 HydrophobicContact CD1-CD1 4.13Å; L552-L560 HydrophobicContact CD2-CD1 4.42Å; L552-L560 HydrophobicContact CD2-CD2 3.98Å; L552-L565 HydrophobicContact CD1-CD2 4.4Å
553	D	86.3	Confident	84.1	Confident	82 Å²	82	72.9 Å²	72.9	44%	0.439	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	130.6	175.9	-178	35.6	0	0	0	111.7	C546 P549 K555	C546-D553 CarbonylContact O-C 3.23Å; C546-D553 WeakPolarHBondContact O-CA 3.43Å; P549-D553 PolarHBondContact O-N 2.95Å; D553-K555 VanDerWaalsContact C-N 3.27Å; D553-K555 PolarHBondContact O-N 2.9Å
554	K	83.8	Confident	83.9	Confident	164 Å²	164	75.1 Å²	75.1	71%	0.713	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	25	-175.4	-51	-170.1	179.8	-167.8	0	116.1	C546 L552	C546-K554 PolarHBondContact O-N 2.61Å; L552-K554 PolarHBondContact O-N 3.12Å
555	K	84.1	Confident	83.6	Confident	96 Å²	96	75.2 Å²	75.2	42%	0.417	38%	0.378	S	S	.	.			trans	-94.7	143	167.7	-62.5	-177.5	-174.2	159.2	0	110.8	C546 H551 L552 D553 L560	C546-K555 WeakPolarHBondContact CB-O 3.31Å; C546-K555 PolarHBondContact N-O 2.76Å; C546-K555 PolarHBondContact SG-O 3.4Å; H551-K555 PolarHBondContact O-NZ 2.77Å; L552-K555 HydrophobicContact CD2-CD 4.01Å; L552-K555 WeakPolarHBondContact O-CB 3.38Å; L552-K555 PolarHBondContact O-N 3.23Å; D553-K555 VanDerWaalsContact C-N 3.27Å; D553-K555 PolarHBondContact O-N 2.9Å; K555-L560 HydrophobicContact CB-CD2 4.29Å; K555-L560 HydrophobicContact CD-CD2 4.08Å
556	E	87	Confident	83.4	Confident	32 Å²	32	72 Å²	72	15%	0.15	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-77.7	131.5	177.2	-167.2	-107.5	167.8	0	0	110.8	D543 I544 L545 K558 A559 L560	D543-E556 HydrophobicContact CB-CG 4.25Å; I544-E556 CarbonylContact O-C 3.22Å; I544-E556 WeakPolarHBondContact O-CA 3.47Å; L545-E556 HydrophobicContact CD2-CB 4.26Å; E556-K558 VanDerWaalsContact C-N 3.33Å; E556-K558 VanDerWaalsContact CD-CB 3.45Å; E556-K558 PolarHBondContact O-N 3.49Å; E556-K558 WeakPolarHBondContact OE1-CB 3.05Å; E556-K558 WeakPolarHBondContact OE1-CD 3.48Å; E556-K558 WeakPolarHBondContact OE2-CB 3.37Å; E556-A559 PolarHBondContact O-N 3.02Å; E556-A559 WeakPolarHBondContact OE2-CB 3.35Å; E556-A559 PolarHBondContact OE2-N 3.17Å; E556-L560 PolarHBondContact O-N 2.8Å
557	L	86.1	Confident	82.1	Confident	1 Å²	1	77.8 Å²	77.8	1%	0.005	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-35.6	-170.8	177.8	61	0	0	0	113.3	L525 L528 Q529 I532 I544 L560 L565	L525-L557 HydrophobicContact CD2-CD1 3.85Å; L525-L557 HydrophobicContact CD2-CD2 3.78Å; L525-L557 HydrophobicContact CD2-CG 4.43Å; L525-L557 HydrophobicContact CG-CD1 4.22Å; L525-L557 HydrophobicContact CG-CD2 3.89Å; L528-L557 HydrophobicContact CD2-CD2 4.06Å; L528-L557 HydrophobicContact CG-CD2 4.27Å; Q529-L557 HydrophobicContact CB-CD1 4.04Å; Q529-L557 HydrophobicContact CB-CD2 4.37Å; Q529-L557 HydrophobicContact CB-CG 4.08Å; Q529-L557 HydrophobicContact CG-CD1 4.28Å; Q529-L557 HydrophobicContact CG-CG 4.34Å; I532-L557 HydrophobicContact CD1-CD2 4.32Å; I544-L557 HydrophobicContact CB-CB 4Å; I544-L557 HydrophobicContact CB-CD2 4.48Å; I544-L557 HydrophobicContact CG2-CB 3.78Å; I544-L557 HydrophobicContact CG2-CD2 3.82Å; I544-L557 HydrophobicContact CG2-CG 4.45Å; I544-L557 PolarHBondContact O-N 3.49Å; L557-L560 PolarHBondContact O-N 3.08Å; L557-L565 HydrophobicContact CD1-CD1 3.94Å; L557-L565 HydrophobicContact CD1-CD2 4.09Å
558	K	81.9	Confident	80.6	Confident	93 Å²	93	77.1 Å²	77.1	40%	0.404	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-37.2	-176.7	-161.6	-174.1	-173.8	177.3	0	110.8	I532 Q533 E556 L560	I532-K558 HydrophobicContact CG2-CG 4.35Å; Q533-K558 PolarHBondContact NE2-O 3.13Å; E556-K558 VanDerWaalsContact C-N 3.33Å; E556-K558 VanDerWaalsContact CD-CB 3.45Å; E556-K558 PolarHBondContact O-N 3.49Å; E556-K558 WeakPolarHBondContact OE1-CB 3.05Å; E556-K558 WeakPolarHBondContact OE1-CD 3.48Å; E556-K558 WeakPolarHBondContact OE2-CB 3.37Å; K558-L560 VanDerWaalsContact C-N 3.35Å
559	A	80.2	Confident	79.2	Confident	77 Å²	77	80.4 Å²	80.4	64%	0.636	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-13.5	174.6	0	0	0	0	0	114.8	E556	E556-A559 PolarHBondContact O-N 3.02Å; E556-A559 WeakPolarHBondContact OE2-CB 3.35Å; E556-A559 PolarHBondContact OE2-N 3.17Å
560	L	81.6	Confident	77.3	Confident	11 Å²	11	83 Å²	83	6%	0.058	44%	0.435	C	S	.	.	S	Bend	trans	-78.6	144	172.4	-65.7	177.1	0	0	0	111.3	C521 Q529 C546 L552 K555 E556 L557 K558 L564 L565	C521-L560 HydrophobicContact CB-CD1 4.23Å; Q529-L560 PolarHBondContact NE2-O 3.06Å; C546-L560 VanDerWaalsContact SG-CD1 3.52Å; L552-L560 HydrophobicContact CD1-CD1 4.13Å; L552-L560 HydrophobicContact CD2-CD1 4.42Å; L552-L560 HydrophobicContact CD2-CD2 3.98Å; K555-L560 HydrophobicContact CB-CD2 4.29Å; K555-L560 HydrophobicContact CD-CD2 4.08Å; E556-L560 PolarHBondContact O-N 2.8Å; L557-L560 PolarHBondContact O-N 3.08Å; K558-L560 VanDerWaalsContact C-N 3.35Å; L560-L564 HydrophobicContact CD2-CD1 4.47Å; L560-L565 HydrophobicContact CB-CD2 4.38Å; L560-L565 HydrophobicContact CB-CG 4.38Å; L560-L565 HydrophobicContact CD1-CD2 3.75Å
561	N	79.2	Confident	75	Confident	105 Å²	105	78.6 Å²	78.6	56%	0.561	43%	0.429	S	S	*	.			trans	-85.8	147.8	169.7	-76	-25.6	0	0	0	111	E563 L564 L565	N561-E563 PolarHBondContact O-N 3Å; N561-E563 VanDerWaalsContact O-N 3.1Å; N561-L564 HydrophobicContact CB-CD1 4.4Å; N561-L564 HydrophobicContact CB-CG 4.4Å; N561-L564 WeakPolarHBondContact O-CB 3.33Å; N561-L564 PolarHBondContact O-N 3.11Å; N561-L565 PolarHBondContact O-N 2.83Å
562	S	79.7	Confident	72.4	Confident	29 Å²	29	78 Å²	78	20%	0.203	43%	0.431	C	S	.	.	H	α-helix	trans	-62.3	-22.7	-179.9	-44.1	0	0	0	0	113.2	Q529 C566	Q529-S562 PolarHBondContact NE2-OG 2.8Å; Q529-S562 PolarHBondContact OE1-OG 3.38Å; S562-C566 WeakPolarHBondContact O-CB 3.26Å; S562-C566 PolarHBondContact O-N 2.91Å
563	E	75.4	Confident	70.3	Confident	121 Å²	121	82.5 Å²	82.5	57%	0.565	46%	0.462	S	S	*	.	H	α-helix	trans	-71.5	-24.8	172.8	-60.5	-176.2	160.4	0	0	113.7	N561 C566 P567	N561-E563 PolarHBondContact O-N 3Å; N561-E563 VanDerWaalsContact O-N 3.1Å; E563-C566 CarbonylContact O-C 3.32Å; E563-C566 VanDerWaalsContact O-C 3.27Å; E563-P567 WeakPolarHBondContact O-CA 3.34Å
564	L	74.2	Confident	67.6	Low	107 Å²	107	83.6 Å²	83.6	56%	0.56	48%	0.476	S	S	*	.	H	α-helix	trans	-83.9	-31.5	175.8	-63.6	174.5	0	0	0	111.7	L560 N561	L560-L564 HydrophobicContact CD2-CD1 4.47Å; N561-L564 HydrophobicContact CB-CD1 4.4Å; N561-L564 HydrophobicContact CB-CG 4.4Å; N561-L564 WeakPolarHBondContact O-CB 3.33Å; N561-L564 PolarHBondContact O-N 3.11Å
565	L	79.1	Confident	65	Low	6 Å²	6	84 Å²	84	3%	0.031	48%	0.483	C	S	.	.	H	α-helix	trans	-74.4	-40.6	171.7	-60.7	171.9	0	0	0	111.5	C521 S522 C523 V526 Q529 L552 L557 L560 N561	C521-L565 HydrophobicContact CB-CD2 3.63Å; C521-L565 VanDerWaalsContact O-CD2 3.26Å; C521-L565 WeakPolarHBondContact O-CD2 3.42Å; S522-L565 CarbonylContact C-O 3.53Å; C523-L565 PolarHBondContact N-O 3.46Å; V526-L565 HydrophobicContact CG2-CB 3.57Å; V526-L565 HydrophobicContact CG2-CD1 3.95Å; V526-L565 HydrophobicContact CG2-CG 4.42Å; Q529-L565 HydrophobicContact CB-CD1 4.04Å; Q529-L565 HydrophobicContact CG-CD1 3.9Å; L552-L565 HydrophobicContact CD1-CD2 4.4Å; L557-L565 HydrophobicContact CD1-CD1 3.94Å; L557-L565 HydrophobicContact CD1-CD2 4.09Å; L560-L565 HydrophobicContact CB-CD2 4.38Å; L560-L565 HydrophobicContact CB-CG 4.38Å; L560-L565 HydrophobicContact CD1-CD2 3.75Å; N561-L565 PolarHBondContact O-N 2.83Å
566	C	81.4	Confident	62.9	Low	15 Å²	15	84 Å²	84	10%	0.101	49%	0.492	C	S	.	.			trans	-121.5	84.5	174.4	-87.1	0	0	0	0	111.9	C523 V526 S562 E563 G568 L569	C523-C566 WeakPolarHBondContact CA-SG 3.42Å; C523-C566 HydrophobicContact CB-CB 4.42Å; C523-C566 WeakPolarHBondContact CB-SG 3.22Å; C523-C566 WeakPolarHBondContact SG-CA 3.45Å; C523-C566 WeakPolarHBondContact SG-CB 3.41Å; C523-C566 CovalentContact SG-SG 2.04Å; C523-C566 PolarHBondContact SG-SG 3.48Å; V526-C566 HydrophobicContact CG2-CB 4.44Å; S562-C566 WeakPolarHBondContact O-CB 3.26Å; S562-C566 PolarHBondContact O-N 2.91Å; E563-C566 CarbonylContact O-C 3.32Å; E563-C566 VanDerWaalsContact O-C 3.27Å; C566-G568 PolarHBondContact O-N 3.02Å; C566-L569 HydrophobicContact CB-CD1 3.63Å; C566-L569 HydrophobicContact CB-CG 3.89Å; C566-L569 PolarHBondContact O-N 3.1Å
567	P	64.2	Low	60.1	Low	122 Å²	122	88.2 Å²	88.2	79%	0.792	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	75.6	170.2	29.8	-35.4	0	0	0	111.1	E563	E563-P567 WeakPolarHBondContact O-CA 3.34Å
568	G	60.1	Low	57.2	Low	57 Å²	57	97.4 Å²	97.4	59%	0.588	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	174.9	-16	-176.6	0	0	0	0	0	115.8	C566 V570	C566-G568 PolarHBondContact O-N 3.02Å; G568-V570 PolarHBondContact O-N 3.14Å
569	L	56.4	Low	54.4	Low	116 Å²	116	98.3 Å²	98.3	61%	0.607	58%	0.577	S	S	*	*	S	Bend	trans	-66.9	-20.5	179.8	-80.7	169	0	0	0	114.2	C566	C566-L569 HydrophobicContact CB-CD1 3.63Å; C566-L569 HydrophobicContact CB-CG 3.89Å; C566-L569 PolarHBondContact O-N 3.1Å
570	V	48.1	Very low	51.8	Low	98 Å²	98	100.4 Å²	100.4	59%	0.594	59%	0.586	S	S	*	*	S	Bend	trans	-122	85.4	175	-174.1	0	0	0	0	109.9	G568	G568-V570 PolarHBondContact O-N 3.14Å
571	N	37	Very low	49.2	Very low	137 Å²	137	109.1 Å²	109.1	73%	0.733	62%	0.62	S	S	*	*			trans	-147.5	65.2	164.2	-127.7	-21.3	0	0	0	113.2
572	N	29.7	Very low	46.7	Very low	151 Å²	151	112.3 Å²	112.3	81%	0.807	64%	0.635	S	S	*	*			trans	-154	85.9	148.5	-124.3	-30.7	0	0	0	109.8
573	P	41.8	Very low	44.1	Very low	113 Å²	113	117.7 Å²	117.7	73%	0.734	66%	0.66	S	S	*	*				-139.9	105.5	113.4	34.8	-21.5	0	0	0	113.4
574	S	29.7	Very low	41.7	Very low	104 Å²	104	117.9 Å²	117.9	73%	0.727	67%	0.669	S	S	*	*			trans	-162.3	139.2	148.9	42.2	0	0	0	0	114.1
575	M	28.5	Very low	39.3	Very low	174 Å²	174	118.8 Å²	118.8	86%	0.857	68%	0.68	S	S	*	*			trans	-104	174.8	153.7	-120.6	-144.5	172	0	0	107
576	P	40.2	Very low	36.8	Very low	96 Å²	96	124.8 Å²	124.8	62%	0.623	72%	0.716	S	S	*	*			cis	-140.5	179.6	16.4	38.2	-17	0	0	0	117.2
577	T	27.3	Very low	34.5	Very low	119 Å²	119	129.2 Å²	129.2	73%	0.73	75%	0.745	S	S	*	*			trans	52.3	118.8	150.2	49	0	0	0	0	121.3
578	Q	24.8	Very low	32.6	Very low	194 Å²	194	129 Å²	129	91%	0.907	74%	0.742	S	S	*	*				-150.3	163.8	103.8	-113.7	-178.3	30.2	0	0	113.1
579	T	25	Very low	31	Very low	113 Å²	113	132.5 Å²	132.5	69%	0.693	75%	0.752	S	S	*	*			trans	-80.6	141.3	-164	39.4	0	0	0	0	114.8
580	S	25.1	Very low	29.7	Very low	120 Å²	120	132.5 Å²	132.5	84%	0.839	76%	0.757	S	S	*	*			trans	-140.3	137.2	145.9	56.6	0	0	0	0	109.3
581	Y	26.7	Very low	28.9	Very low	195 Å²	195	133.4 Å²	133.4	77%	0.765	76%	0.763	S	S	*	*			trans	-99.5	128.1	-169.8	-64.2	-101.1	0	0	0	111.7
582	I	26.2	Very low	28.9	Very low	172 Å²	172	134.4 Å²	134.4	88%	0.882	77%	0.768	S	S	*	*			trans	-137	137.1	141.1	-61.8	-172.9	0	0	0	107.9
583	I	25.6	Very low	29.4	Very low	141 Å²	141	133 Å²	133	72%	0.723	77%	0.765	S	S	*	*			trans	-108.8	142.4	176	-62.5	166.2	0	0	0	107.7
584	V	24.6	Very low	29.1	Very low	125 Å²	125	130.8 Å²	130.8	76%	0.758	76%	0.756	S	S	*	*			trans	-178.5	122.7	138.7	142.7	0	0	0	0	112.6
585	T	25	Very low	29.4	Very low	127 Å²	127	132.8 Å²	132.8	78%	0.779	76%	0.759	S	S	*	*			trans	36.6	119	156.8	63.7	0	0	0	0	123
586	T	26.2	Very low	29.8	Very low	131 Å²	131	130 Å²	130	80%	0.804	75%	0.752	S	S	*	*			trans	-69.2	165.7	138	46	0	0	0	0	110.4
587	P	33	Very low	29.8	Very low	109 Å²	109	131.5 Å²	131.5	71%	0.708	75%	0.753	S	S	*	*			cis	-150.5	-166	36.9	43	-20.1	0	0	0	118.7
588	T	24.6	Very low	30.4	Very low	118 Å²	118	133.7 Å²	133.7	72%	0.724	76%	0.76	S	S	*	*			trans	78.8	113.9	162.6	53.4	0	0	0	0	120.8
589	T	26.3	Very low	31.1	Very low	129 Å²	129	135.3 Å²	135.3	79%	0.791	76%	0.757	S	S	*	*			trans	59.7	137.3	140.1	60.2	0	0	0	0	119.5
590	T	28.3	Very low	31.6	Very low	117 Å²	117	134.3 Å²	134.3	72%	0.718	76%	0.755	S	S	*	*			cis	-148.7	162	28.5	49.8	0	0	0	0	114.6
591	T	31.2	Very low	32.4	Very low	116 Å²	116	136.6 Å²	136.6	71%	0.712	76%	0.757	S	S	*	*			trans	56.4	117.4	146.8	50	0	0	0	0	121.8
592	N	37.1	Very low	33.6	Very low	159 Å²	159	134.2 Å²	134.2	85%	0.85	76%	0.763	S	S	*	*			trans	-83.5	123.5	164.8	-53.9	-18.8	0	0	0	111.5
593	T	40.1	Very low	34.3	Very low	122 Å²	122	133.2 Å²	133.2	75%	0.748	76%	0.76	S	S	*	*			trans	-150.4	61	164.6	54.5	0	0	0	0	112.5
594	A	36.4	Very low	35.9	Very low	66 Å²	66	131 Å²	131	55%	0.545	76%	0.762	S	S	.	*	S	Bend	trans	-141.5	-58.6	173.7	0	0	0	0	0	112.6	T596 I597	A594-T596 PolarHBondContact O-N 3.42Å; A594-I597 PolarHBondContact O-N 3.43Å; A594-I597 VanDerWaalsContact O-N 3.13Å
595	D	36.2	Very low	37.5	Very low	145 Å²	145	129.8 Å²	129.8	78%	0.775	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-13.8	-170.9	-61.9	-43.7	0	0	0	115.4
596	T	36.3	Very low	39.2	Very low	117 Å²	117	127.5 Å²	127.5	72%	0.718	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-16	177.8	-21.7	0	0	0	0	113.6	A594	A594-T596 PolarHBondContact O-N 3.42Å
597	I	40.5	Very low	40.7	Very low	127 Å²	127	127.4 Å²	127.4	65%	0.651	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-38.3	-170.8	-61.2	179.9	0	0	0	112.2	A594 R599	A594-I597 PolarHBondContact O-N 3.43Å; A594-I597 VanDerWaalsContact O-N 3.13Å; I597-R599 VanDerWaalsContact C-N 3.33Å; I597-R599 PolarHBondContact O-N 3.2Å
598	L	40	Very low	42.2	Very low	165 Å²	165	125.9 Å²	125.9	86%	0.864	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-1.9	-172.7	-120.6	80.2	0	0	0	115.4
599	R	37.9	Very low	44.5	Very low	227 Å²	227	124.4 Å²	124.4	86%	0.857	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	19.5	-176.5	-72.6	-172.9	171.4	-175	-1	114.7	I597	I597-R599 VanDerWaalsContact C-N 3.33Å; I597-R599 PolarHBondContact O-N 3.2Å
600	S	37.4	Very low	46.5	Very low	92 Å²	92	122.9 Å²	122.9	64%	0.643	71%	0.705	S	S	*	*	S	Bend	trans	-127.9	29.5	-169.4	-169.9	0	0	0	0	114.9
601	L	41.4	Very low	48.8	Very low	169 Å²	169	121.8 Å²	121.8	89%	0.885	69%	0.694	S	S	*	*	S	Bend	trans	-131.5	18.9	-178.5	-80.5	173.2	0	0	0	115.2
602	T	51.3	Low	50.7	Low	144 Å²	144	121.4 Å²	121.4	88%	0.883	69%	0.687	S	S	*	*	S	Bend	trans	-119.7	34.3	172.2	59.9	0	0	0	0	112.1
603	D	42	Very low	52.7	Low	152 Å²	152	115.4 Å²	115.4	81%	0.813	66%	0.662	S	S	*	*	S	Bend	trans	-114.1	153.3	174.8	-111.3	-41.5	0	0	0	110.8	V605	D603-V605 PolarHBondContact O-N 3.24Å
604	A	57.4	Low	54.6	Low	94 Å²	94	114.8 Å²	114.8	78%	0.777	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-64.2	124	-166.3	0	0	0	0	0	113.6	P606	A604-P606 WeakPolarHBondContact O-CD 3.47Å
605	V	59.9	Low	56.8	Low	99 Å²	99	116.2 Å²	116.2	60%	0.6	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-64.5	124.6	178.7	179.8	0	0	0	0	110.6	D603 L607 V609	D603-V605 PolarHBondContact O-N 3.24Å; V605-L607 PolarHBondContact O-N 2.97Å; V605-V609 HydrophobicContact CG1-CB 4.1Å; V605-V609 HydrophobicContact CG1-CG1 4.35Å
606	P	60.6	Low	59.1	Low	79 Å²	79	114.2 Å²	114.2	51%	0.513	64%	0.64	S	S	.	*	P	Polyproline II helix	trans	-61.6	135.6	177	-24.4	34.6	0	0	0	112.3	A604 S608 V609 L610	A604-P606 WeakPolarHBondContact O-CD 3.47Å; P606-S608 PolarHBondContact O-N 2.84Å; P606-V609 HydrophobicContact CB-CG2 4.4Å; P606-V609 WeakPolarHBondContact O-CB 3.26Å; P606-V609 PolarHBondContact O-N 3.02Å; P606-L610 PolarHBondContact O-N 3.06Å
607	L	56.4	Low	61.4	Low	130 Å²	130	112.3 Å²	112.3	68%	0.681	63%	0.628	S	S	*	*	H	α-helix	trans	-51.7	-32.3	-178.7	-113	146.9	0	0	0	113.6	V605 V609 L610 I611	V605-L607 PolarHBondContact O-N 2.97Å; L607-V609 PolarHBondContact O-N 3.1Å; L607-L610 PolarHBondContact O-N 3.4Å; L607-I611 HydrophobicContact CD2-CD1 4.07Å; L607-I611 HydrophobicContact CD2-CG1 4.43Å; L607-I611 WeakPolarHBondContact O-CB 3.43Å; L607-I611 WeakPolarHBondContact O-CD1 3.36Å; L607-I611 WeakPolarHBondContact O-CG1 3.43Å; L607-I611 PolarHBondContact O-N 2.03Å
608	S	65.3	Low	63.6	Low	77 Å²	77	112.8 Å²	112.8	54%	0.538	63%	0.626	S	S	.	*	H	α-helix	trans	-61.5	-37.3	175.1	49.6	0	0	0	0	113.8	P606 L612	P606-S608 PolarHBondContact O-N 2.84Å; S608-L612 PolarHBondContact O-N 3.36Å; S608-L612 VanDerWaalsContact O-N 3.13Å
609	V	71.9	Confident	65.7	Low	86 Å²	86	108.5 Å²	108.5	52%	0.521	60%	0.603	S	S	.	*	H	α-helix	trans	-72.6	-41.4	178.1	-177	0	0	0	0	110.2	V605 P606 L607 L612 G613	V605-V609 HydrophobicContact CG1-CB 4.1Å; V605-V609 HydrophobicContact CG1-CG1 4.35Å; P606-V609 HydrophobicContact CB-CG2 4.4Å; P606-V609 WeakPolarHBondContact O-CB 3.26Å; P606-V609 PolarHBondContact O-N 3.02Å; L607-V609 PolarHBondContact O-N 3.1Å; V609-L612 PolarHBondContact O-N 3.07Å; V609-G613 PolarHBondContact O-N 3.05Å
610	L	69.1	Low	67.9	Low	97 Å²	97	101.1 Å²	101.1	51%	0.508	58%	0.583	S	S	.	*	H	α-helix	trans	-66.5	-40.1	178.6	-163.7	122.6	0	0	0	111.9	P606 L607 G613 L614	P606-L610 PolarHBondContact O-N 3.06Å; L607-L610 PolarHBondContact O-N 3.4Å; L610-G613 PolarHBondContact O-N 3.47Å; L610-L614 HydrophobicContact CD2-CD1 3.78Å; L610-L614 WeakPolarHBondContact O-CB 3.36Å; L610-L614 WeakPolarHBondContact O-CG 3.38Å; L610-L614 PolarHBondContact O-N 3.25Å
611	I	76.4	Confident	70.4	Confident	94 Å²	94	101.7 Å²	101.7	48%	0.482	58%	0.578	S	S	.	*	H	α-helix	trans	-62.6	-43.8	173.2	-69.9	164.1	0	0	0	111.2	L607 L614 L615	L607-I611 HydrophobicContact CD2-CD1 4.07Å; L607-I611 HydrophobicContact CD2-CG1 4.43Å; L607-I611 WeakPolarHBondContact O-CB 3.43Å; L607-I611 WeakPolarHBondContact O-CD1 3.36Å; L607-I611 WeakPolarHBondContact O-CG1 3.43Å; L607-I611 PolarHBondContact O-N 2.03Å; I611-L614 PolarHBondContact O-N 3.37Å; I611-L615 VanDerWaalsContact O-CB 3.26Å; I611-L615 WeakPolarHBondContact O-CB 3.3Å; I611-L615 PolarHBondContact O-N 2.99Å
612	L	72.1	Confident	72.7	Confident	108 Å²	108	97.1 Å²	97.1	57%	0.565	56%	0.557	S	S	*	*	H	α-helix	trans	-62.9	-42.4	175.4	-93.6	160.5	0	0	0	112.3	S608 V609 L615 I616	S608-L612 PolarHBondContact O-N 3.36Å; S608-L612 VanDerWaalsContact O-N 3.13Å; V609-L612 PolarHBondContact O-N 3.07Å; L612-L615 PolarHBondContact O-N 3.13Å; L612-I616 WeakPolarHBondContact O-CG1 3.42Å; L612-I616 PolarHBondContact O-N 2.94Å
613	G	79.1	Confident	74.3	Confident	33 Å²	33	97.6 Å²	97.6	34%	0.34	55%	0.547	S	S	.	.	H	α-helix	trans	-61.1	-49.1	175.3	0	0	0	0	0	112.6	V609 L610 L615 I616 V617	V609-G613 PolarHBondContact O-N 3.05Å; L610-G613 PolarHBondContact O-N 3.47Å; G613-L615 VanDerWaalsContact C-N 3.31Å; G613-L615 PolarHBondContact O-N 3.49Å; G613-I616 PolarHBondContact O-N 2.94Å; G613-V617 WeakPolarHBondContact O-CG2 3.34Å; G613-V617 PolarHBondContact O-N 2.98Å
614	L	78.2	Confident	76.5	Confident	109 Å²	109	94.1 Å²	94.1	57%	0.571	53%	0.534	S	S	*	.	H	α-helix	trans	-61.7	-37.2	176.4	-72.3	171.9	0	0	0	112.4	L610 I611 V617 F618	L610-L614 HydrophobicContact CD2-CD1 3.78Å; L610-L614 WeakPolarHBondContact O-CB 3.36Å; L610-L614 WeakPolarHBondContact O-CG 3.38Å; L610-L614 PolarHBondContact O-N 3.25Å; I611-L614 PolarHBondContact O-N 3.37Å; L614-V617 PolarHBondContact O-N 3.15Å; L614-F618 WeakPolarHBondContact O-CB 3.08Å; L614-F618 PolarHBondContact O-N 2.83Å
615	L	82.6	Confident	77.8	Confident	96 Å²	96	92.1 Å²	92.1	50%	0.503	52%	0.517	S	S	.	.	H	α-helix	trans	-69.5	-35.9	177.9	-169.8	144	0	0	0	112	I611 L612 G613 I619	I611-L615 VanDerWaalsContact O-CB 3.26Å; I611-L615 WeakPolarHBondContact O-CB 3.3Å; I611-L615 PolarHBondContact O-N 2.99Å; L612-L615 PolarHBondContact O-N 3.13Å; G613-L615 VanDerWaalsContact C-N 3.31Å; G613-L615 PolarHBondContact O-N 3.49Å; L615-I619 HydrophobicContact CD2-CD1 3.64Å; L615-I619 WeakPolarHBondContact O-CB 3.5Å; L615-I619 VanDerWaalsContact O-CG1 3.27Å; L615-I619 WeakPolarHBondContact O-CG1 3.48Å; L615-I619 PolarHBondContact O-N 3.34Å
616	I	85.3	Confident	79	Confident	103 Å²	103	89.7 Å²	89.7	53%	0.528	51%	0.508	S	S	.	.	H	α-helix	trans	-65	-46	170.9	-69.5	165.1	0	0	0	110.8	L612 G613 F618 I619 T620	L612-I616 WeakPolarHBondContact O-CG1 3.42Å; L612-I616 PolarHBondContact O-N 2.94Å; G613-I616 PolarHBondContact O-N 2.94Å; I616-F618 PolarHBondContact O-N 3.03Å; I616-I619 PolarHBondContact O-N 2.85Å; I616-T620 PolarHBondContact O-N 3.22Å; I616-T620 PolarHBondContact O-OG1 3.46Å
617	V	84.3	Confident	80.3	Confident	77 Å²	77	87.8 Å²	87.8	47%	0.467	50%	0.502	S	S	.	.	H	α-helix	trans	-62.3	-41.1	177.3	171.2	0	0	0	0	111.6	G613 L614 I619 T620 I621	G613-V617 WeakPolarHBondContact O-CG2 3.34Å; G613-V617 PolarHBondContact O-N 2.98Å; L614-V617 PolarHBondContact O-N 3.15Å; V617-I619 VanDerWaalsContact C-N 3.35Å; V617-I619 PolarHBondContact O-N 2.8Å; V617-T620 PolarHBondContact O-N 2.84Å; V617-T620 PolarHBondContact O-OG1 3.47Å; V617-I621 HydrophobicContact CG1-CD1 3.83Å; V617-I621 VanDerWaalsContact O-CG1 3.28Å; V617-I621 WeakPolarHBondContact O-CG1 3.48Å; V617-I621 PolarHBondContact O-N 3.1Å
618	F	86.3	Confident	81.7	Confident	137 Å²	137	86.8 Å²	86.8	60%	0.601	50%	0.497	S	S	*	.	H	α-helix	trans	-61.4	-43.6	174.6	-177	-99.5	0	0	0	111.7	L614 I616 I621 V622	L614-F618 WeakPolarHBondContact O-CB 3.08Å; L614-F618 PolarHBondContact O-N 2.83Å; I616-F618 PolarHBondContact O-N 3.03Å; F618-I621 PolarHBondContact O-N 2.96Å; F618-V622 HydrophobicContact CD1-CG2 4.27Å; F618-V622 HydrophobicContact CE1-CG2 3.9Å; F618-V622 HydrophobicContact CZ-CG2 4.03Å; F618-V622 WeakPolarHBondContact O-CG2 3.41Å; F618-V622 PolarHBondContact O-N 3.4Å
619	I	84.9	Confident	82.7	Confident	76 Å²	76	87.2 Å²	87.2	39%	0.39	50%	0.496	S	S	.	.	H	α-helix	trans	-63	-43.1	176.7	-73.3	171.2	0	0	0	111.6	L615 I616 V617 V622 F623	L615-I619 HydrophobicContact CD2-CD1 3.64Å; L615-I619 WeakPolarHBondContact O-CB 3.5Å; L615-I619 VanDerWaalsContact O-CG1 3.27Å; L615-I619 WeakPolarHBondContact O-CG1 3.48Å; L615-I619 PolarHBondContact O-N 3.34Å; I616-I619 PolarHBondContact O-N 2.85Å; V617-I619 VanDerWaalsContact C-N 3.35Å; V617-I619 PolarHBondContact O-N 2.8Å; I619-V622 PolarHBondContact O-N 2.84Å; I619-F623 HydrophobicContact CG2-CD2 3.66Å; I619-F623 HydrophobicContact CG2-CE2 3.63Å; I619-F623 VanDerWaalsContact O-CD2 3.29Å; I619-F623 WeakPolarHBondContact O-CD2 3.26Å; I619-F623 PolarHBondContact O-N 3.1Å
620	T	84.3	Confident	83.4	Confident	72 Å²	72	87.7 Å²	87.7	44%	0.442	50%	0.499	S	S	.	.	H	α-helix	trans	-66.5	-38.3	177.9	57.9	0	0	0	0	112.1	I616 V617 F623 C624	I616-T620 PolarHBondContact O-N 3.22Å; I616-T620 PolarHBondContact O-OG1 3.46Å; V617-T620 PolarHBondContact O-N 2.84Å; V617-T620 PolarHBondContact O-OG1 3.47Å; T620-F623 PolarHBondContact O-N 2.91Å; T620-C624 WeakPolarHBondContact O-CB 3.28Å; T620-C624 PolarHBondContact O-N 2.96Å; T620-C624 PolarHBondContact O-SG 2.86Å
621	I	89.4	Confident	84.2	Confident	103 Å²	103	88 Å²	88	53%	0.528	50%	0.5	S	S	.	.	H	α-helix	trans	-60.9	-46	173.4	-69.3	166.4	0	0	0	111	V617 F618 F623 C624 A625	V617-I621 HydrophobicContact CG1-CD1 3.83Å; V617-I621 VanDerWaalsContact O-CG1 3.28Å; V617-I621 WeakPolarHBondContact O-CG1 3.48Å; V617-I621 PolarHBondContact O-N 3.1Å; F618-I621 PolarHBondContact O-N 2.96Å; I621-F623 PolarHBondContact O-N 2.79Å; I621-C624 PolarHBondContact O-N 3.3Å; I621-A625 WeakPolarHBondContact O-CB 3.27Å; I621-A625 PolarHBondContact O-N 2.98Å
622	V	89.3	Confident	84.6	Confident	73 Å²	73	86.8 Å²	86.8	44%	0.442	50%	0.497	S	S	.	.	H	α-helix	trans	-61.4	-43.3	177.5	169.6	0	0	0	0	111.6	F618 I619 A625 A626	F618-V622 HydrophobicContact CD1-CG2 4.27Å; F618-V622 HydrophobicContact CE1-CG2 3.9Å; F618-V622 HydrophobicContact CZ-CG2 4.03Å; F618-V622 WeakPolarHBondContact O-CG2 3.41Å; F618-V622 PolarHBondContact O-N 3.4Å; I619-V622 PolarHBondContact O-N 2.84Å; V622-A625 PolarHBondContact O-N 3.5Å; V622-A626 WeakPolarHBondContact O-CB 3.48Å; V622-A626 PolarHBondContact O-N 3.22Å
623	F	86.7	Confident	84.9	Confident	154 Å²	154	86.3 Å²	86.3	68%	0.675	49%	0.494	S	S	*	.	H	α-helix	trans	-67.1	-36.7	175.5	-81.9	-63.1	0	0	0	113.1	I619 T620 I621 A626 G627	I619-F623 HydrophobicContact CG2-CD2 3.66Å; I619-F623 HydrophobicContact CG2-CE2 3.63Å; I619-F623 VanDerWaalsContact O-CD2 3.29Å; I619-F623 WeakPolarHBondContact O-CD2 3.26Å; I619-F623 PolarHBondContact O-N 3.1Å; T620-F623 PolarHBondContact O-N 2.91Å; I621-F623 PolarHBondContact O-N 2.79Å; F623-A626 PolarHBondContact O-N 3.42Å; F623-G627 PolarHBondContact O-N 3.47Å
624	C	86.3	Confident	84.9	Confident	80 Å²	80	89.3 Å²	89.3	54%	0.541	50%	0.499	S	S	.	.	H	α-helix	trans	-65.1	-45.3	174.5	-68.5	0	0	0	0	111.5	T620 I621 A626 G627 I628	T620-C624 WeakPolarHBondContact O-CB 3.28Å; T620-C624 PolarHBondContact O-N 2.96Å; T620-C624 PolarHBondContact O-SG 2.86Å; I621-C624 PolarHBondContact O-N 3.3Å; C624-A626 PolarHBondContact O-N 3.11Å; C624-G627 PolarHBondContact O-N 2.89Å; C624-I628 WeakPolarHBondContact O-CG1 3.03Å; C624-I628 PolarHBondContact O-N 3.03Å
625	A	85.5	Confident	84.7	Confident	51 Å²	51	93 Å²	93	42%	0.421	51%	0.506	S	S	.	.	H	α-helix	trans	-61.1	-44.7	175.8	0	0	0	0	0	111.8	I621 V622 G627 I628 V629	I621-A625 WeakPolarHBondContact O-CB 3.27Å; I621-A625 PolarHBondContact O-N 2.98Å; V622-A625 PolarHBondContact O-N 3.5Å; A625-G627 VanDerWaalsContact C-N 3.35Å; A625-G627 PolarHBondContact O-N 2.95Å; A625-I628 PolarHBondContact O-N 3.48Å; A625-V629 WeakPolarHBondContact O-CG2 3.45Å; A625-V629 PolarHBondContact O-N 2.77Å
626	A	85.6	Confident	84.3	Confident	49 Å²	49	97 Å²	97	41%	0.405	51%	0.514	S	S	.	.	H	α-helix	trans	-60.7	-42.5	174.1	0	0	0	0	0	112.1	V622 F623 C624 V629 V630	V622-A626 WeakPolarHBondContact O-CB 3.48Å; V622-A626 PolarHBondContact O-N 3.22Å; F623-A626 PolarHBondContact O-N 3.42Å; C624-A626 PolarHBondContact O-N 3.11Å; A626-V629 PolarHBondContact O-N 3.01Å; A626-V630 WeakPolarHBondContact O-CG2 3.42Å; A626-V630 PolarHBondContact O-N 3.38Å
627	G	88	Confident	83.6	Confident	39 Å²	39	101.8 Å²	101.8	40%	0.402	53%	0.526	S	S	.	.	H	α-helix	trans	-59	-46.1	174.5	0	0	0	0	0	112.8	F623 C624 A625 V630 L631	F623-G627 PolarHBondContact O-N 3.47Å; C624-G627 PolarHBondContact O-N 2.89Å; A625-G627 VanDerWaalsContact C-N 3.35Å; A625-G627 PolarHBondContact O-N 2.95Å; G627-V630 PolarHBondContact O-N 2.95Å; G627-L631 WeakPolarHBondContact O-CB 3.43Å; G627-L631 PolarHBondContact O-N 2.83Å
628	I	86.3	Confident	82.6	Confident	109 Å²	109	106.1 Å²	106.1	56%	0.559	53%	0.534	S	S	*	.	H	α-helix	trans	-61.5	-45.1	175.8	-68.1	164	0	0	0	110.9	C624 A625 V630 L631 V632	C624-I628 WeakPolarHBondContact O-CG1 3.03Å; C624-I628 PolarHBondContact O-N 3.03Å; A625-I628 PolarHBondContact O-N 3.48Å; I628-V630 PolarHBondContact O-N 2.97Å; I628-L631 PolarHBondContact O-N 2.87Å; I628-V632 HydrophobicContact CG2-CG2 4.43Å; I628-V632 WeakPolarHBondContact O-CG2 3.38Å; I628-V632 PolarHBondContact O-N 2.97Å
629	V	85.3	Confident	81.2	Confident	86 Å²	86	107.5 Å²	107.5	52%	0.521	54%	0.536	S	S	.	.	H	α-helix	trans	-61.6	-43.6	177	170.3	0	0	0	0	111.4	A625 A626 L631 V632 L633	A625-V629 WeakPolarHBondContact O-CG2 3.45Å; A625-V629 PolarHBondContact O-N 2.77Å; A626-V629 PolarHBondContact O-N 3.01Å; V629-L631 VanDerWaalsContact C-N 3.34Å; V629-L631 PolarHBondContact O-N 3.05Å; V629-V632 PolarHBondContact O-N 3.37Å; V629-L633 HydrophobicContact CG1-CD1 3.92Å; V629-L633 HydrophobicContact CG1-CG 4.42Å; V629-L633 WeakPolarHBondContact O-CB 3.01Å; V629-L633 VanDerWaalsContact O-CG 3.28Å; V629-L633 WeakPolarHBondContact O-CG 3.49Å; V629-L633 PolarHBondContact O-N 3.32Å
630	V	87.6	Confident	79.8	Confident	96 Å²	96	111.4 Å²	111.4	58%	0.582	55%	0.55	S	S	*	*	H	α-helix	trans	-62	-41.6	174.7	169.7	0	0	0	0	111.3	A626 G627 I628 L633 H634	A626-V630 WeakPolarHBondContact O-CG2 3.42Å; A626-V630 PolarHBondContact O-N 3.38Å; G627-V630 PolarHBondContact O-N 2.95Å; I628-V630 PolarHBondContact O-N 2.97Å; V630-L633 PolarHBondContact O-N 3.36Å; V630-H634 VanDerWaalsContact O-CB 3.31Å; V630-H634 WeakPolarHBondContact O-CB 3.29Å; V630-H634 PolarHBondContact O-N 3.47Å
631	L	85	Confident	78.4	Confident	104 Å²	104	114.7 Å²	114.7	55%	0.545	56%	0.558	S	S	.	*	H	α-helix	trans	-65.1	-42.5	178.1	-153.7	166.6	0	0	0	111.2	G627 I628 V629 H634 R635	G627-L631 WeakPolarHBondContact O-CB 3.43Å; G627-L631 PolarHBondContact O-N 2.83Å; I628-L631 PolarHBondContact O-N 2.87Å; V629-L631 VanDerWaalsContact C-N 3.34Å; V629-L631 PolarHBondContact O-N 3.05Å; L631-H634 PolarHBondContact O-N 2.85Å; L631-R635 WeakPolarHBondContact O-CB 3.47Å; L631-R635 PolarHBondContact O-N 2.03Å
632	V	84.7	Confident	76.7	Confident	68 Å²	68	115.2 Å²	115.2	41%	0.412	56%	0.557	S	S	.	*	H	α-helix	trans	-63.8	-43.9	174.1	169.7	0	0	0	0	111.8	I628 V629 R635 R636	I628-V632 HydrophobicContact CG2-CG2 4.43Å; I628-V632 WeakPolarHBondContact O-CG2 3.38Å; I628-V632 PolarHBondContact O-N 2.97Å; V629-V632 PolarHBondContact O-N 3.37Å; V632-R635 PolarHBondContact O-N 3.43Å; V632-R636 WeakPolarHBondContact O-CG 3.43Å; V632-R636 PolarHBondContact O-N 3.1Å
633	L	78.6	Confident	75	Confident	97 Å²	97	116.8 Å²	116.8	51%	0.508	56%	0.559	S	S	.	*	H	α-helix	trans	-64.5	-38.8	176	-72.5	171.2	0	0	0	111.9	V629 V630 R636 R637	V629-L633 HydrophobicContact CG1-CD1 3.92Å; V629-L633 HydrophobicContact CG1-CG 4.42Å; V629-L633 WeakPolarHBondContact O-CB 3.01Å; V629-L633 VanDerWaalsContact O-CG 3.28Å; V629-L633 WeakPolarHBondContact O-CG 3.49Å; V629-L633 PolarHBondContact O-N 3.32Å; V630-L633 PolarHBondContact O-N 3.36Å; L633-R636 PolarHBondContact O-N 2.85Å; L633-R637 PolarHBondContact O-N 2.75Å
634	H	78.3	Confident	73.2	Confident	96 Å²	96	114.2 Å²	114.2	44%	0.444	56%	0.556	S	S	.	*	H	α-helix	trans	-68.3	-40.2	174.7	-178.1	-139.4	0	0	0	112	V630 L631 R637 R638	V630-H634 VanDerWaalsContact O-CB 3.31Å; V630-H634 WeakPolarHBondContact O-CB 3.29Å; V630-H634 PolarHBondContact O-N 3.47Å; L631-H634 PolarHBondContact O-N 2.85Å; H634-R637 PolarHBondContact O-N 2.8Å; H634-R638 PolarHBondContact CE1-NE 2.68Å; H634-R638 VanDerWaalsContact CE1-NE 3.32Å; H634-R638 PolarHBondContact CE1-NH2 2.97Å; H634-R638 PolarHBondContact NE2-NE 3.03Å; H634-R638 PolarHBondContact O-N 3.14Å
635	R	75.4	Confident	71.4	Confident	187 Å²	187	115.3 Å²	115.3	71%	0.706	56%	0.557	S	S	*	*	H	α-helix	trans	-59	-46.8	169.9	-104.8	-177.5	161.8	-174.7	-5.5	111.4	L631 V632 R637 R638 Y639	L631-R635 WeakPolarHBondContact O-CB 3.47Å; L631-R635 PolarHBondContact O-N 2.03Å; V632-R635 PolarHBondContact O-N 3.43Å; R635-R637 PolarHBondContact O-N 2.91Å; R635-R638 PolarHBondContact O-N 3.22Å; R635-Y639 PolarHBondContact O-N 3.12Å
636	R	73.6	Confident	69.6	Low	181 Å²	181	118.9 Å²	118.9	68%	0.683	56%	0.564	S	S	*	*	H	α-helix	trans	-62.4	-37.6	176.1	-76.6	-177.4	170.9	-170.4	-2.3	112.7	V632 L633 Y639 K640	V632-R636 WeakPolarHBondContact O-CG 3.43Å; V632-R636 PolarHBondContact O-N 3.1Å; L633-R636 PolarHBondContact O-N 2.85Å; R636-Y639 PolarHBondContact O-N 2.98Å; R636-K640 PolarHBondContact O-N 3.16Å
637	R	69.7	Low	67.5	Low	203 Å²	203	124.7 Å²	124.7	77%	0.766	58%	0.583	S	S	*	*	H	α-helix	trans	-64.5	-43.3	171.8	-79.7	-176.4	172.6	-179.1	-1.4	112.4	L633 H634 R635 K640 K641	L633-R637 PolarHBondContact O-N 2.75Å; H634-R637 PolarHBondContact O-N 2.8Å; R635-R637 PolarHBondContact O-N 2.91Å; R637-K640 PolarHBondContact O-N 3.14Å; R637-K641 PolarHBondContact O-N 3.22Å
638	R	63.4	Low	65.1	Low	168 Å²	168	131.1 Å²	131.1	63%	0.634	61%	0.605	S	S	*	*	H	α-helix	trans	-63.6	-40.3	174.9	-73	-173.9	178.6	-154.9	-3.7	112.3	H634 R635 K641 K642	H634-R638 PolarHBondContact CE1-NE 2.68Å; H634-R638 VanDerWaalsContact CE1-NE 3.32Å; H634-R638 PolarHBondContact CE1-NH2 2.97Å; H634-R638 PolarHBondContact NE2-NE 3.03Å; H634-R638 PolarHBondContact O-N 3.14Å; R635-R638 PolarHBondContact O-N 3.22Å; R638-K641 PolarHBondContact O-N 3.01Å; R638-K642 PolarHBondContact O-N 3.37Å
639	Y	58.3	Low	62.8	Low	166 Å²	166	137 Å²	137	65%	0.651	62%	0.62	S	S	*	*	H	α-helix	trans	-63.2	-47.2	177.1	-158.9	-87.3	0	0	0	112	R635 R636 K641 K642 Q643	R635-Y639 PolarHBondContact O-N 3.12Å; R636-Y639 PolarHBondContact O-N 2.98Å; Y639-K641 VanDerWaalsContact C-N 3.3Å; Y639-K641 PolarHBondContact O-N 3.5Å; Y639-K642 PolarHBondContact O-N 2.89Å; Y639-Q643 HydrophobicContact CE1-CG 4.46Å; Y639-Q643 PolarHBondContact O-N 3.06Å
640	K	55.7	Low	60.5	Low	158 Å²	158	139.1 Å²	139.1	69%	0.687	63%	0.628	S	S	*	*	H	α-helix	trans	-61.2	-35.2	174.1	-79.3	-162.3	170.7	-165.8	0	113.1	R636 R637 V644	R636-K640 PolarHBondContact O-N 3.16Å; R637-K640 PolarHBondContact O-N 3.14Å; K640-V644 WeakPolarHBondContact O-CG2 3.36Å
641	K	54.9	Low	57.8	Low	141 Å²	141	140.3 Å²	140.3	61%	0.613	63%	0.631	S	S	*	*	H	α-helix	trans	-67.1	-42.1	174.6	-168.6	173.1	179.8	-178.4	0	111.8	R637 R638 Y639 Q643 V644 D645	R637-K641 PolarHBondContact O-N 3.22Å; R638-K641 PolarHBondContact O-N 3.01Å; Y639-K641 VanDerWaalsContact C-N 3.3Å; Y639-K641 PolarHBondContact O-N 3.5Å; K641-Q643 PolarHBondContact O-N 2.92Å; K641-V644 PolarHBondContact O-N 3.25Å; K641-V644 VanDerWaalsContact O-N 3.13Å; K641-D645 PolarHBondContact O-N 2.89Å; K641-D645 VanDerWaalsContact O-N 3.14Å
642	K	52.7	Low	55.2	Low	114 Å²	114	140.5 Å²	140.5	50%	0.496	64%	0.642	S	S	.	*	H	α-helix	trans	-63.2	-39.6	-179.3	-161.3	176.1	176.5	-77.6	0	112.9	R638 Y639 V644 D645 E646	R638-K642 PolarHBondContact O-N 3.37Å; Y639-K642 PolarHBondContact O-N 2.89Å; K642-V644 VanDerWaalsContact C-N 3.3Å; K642-V644 PolarHBondContact O-N 3.46Å; K642-D645 PolarHBondContact O-N 3.47Å; K642-E646 IonicContact NZ-OE1 3.95Å; K642-E646 PolarHBondContact NZ-OE1 3.34Å; K642-E646 IonicContact NZ-OE2 3.13Å; K642-E646 PolarHBondContact NZ-OE2 2.99Å; K642-E646 WeakPolarHBondContact O-CB 3.16Å; K642-E646 WeakPolarHBondContact O-CG 3.35Å; K642-E646 PolarHBondContact O-N 2.99Å
643	Q	53	Low	53.7	Low	106 Å²	106	142.7 Å²	142.7	50%	0.495	66%	0.657	S	S	.	*	H	α-helix	trans	-62.8	-32.5	173.7	-82.5	-173	-56.3	0	0	113.6	Y639 K641 Q647	Y639-Q643 HydrophobicContact CE1-CG 4.46Å; Y639-Q643 PolarHBondContact O-N 3.06Å; K641-Q643 PolarHBondContact O-N 2.92Å; Q643-Q647 WeakPolarHBondContact O-CB 3.44Å; Q643-Q647 PolarHBondContact O-N 2.86Å
644	V	50.3	Low	51.5	Low	100 Å²	100	144.4 Å²	144.4	61%	0.606	67%	0.672	S	S	*	*	H	α-helix	trans	-73.7	-37.9	177.4	175.1	0	0	0	0	111.4	K640 K641 K642	K640-V644 WeakPolarHBondContact O-CG2 3.36Å; K641-V644 PolarHBondContact O-N 3.25Å; K641-V644 VanDerWaalsContact O-N 3.13Å; K642-V644 VanDerWaalsContact C-N 3.3Å; K642-V644 PolarHBondContact O-N 3.46Å
645	D	48.1	Very low	49	Very low	103 Å²	103	147.9 Å²	147.9	55%	0.551	69%	0.688	S	S	*	*	H	α-helix	trans	-70.2	-37	174.8	-71	-41.9	0	0	0	112.2	K641 K642	K641-D645 PolarHBondContact O-N 2.89Å; K641-D645 VanDerWaalsContact O-N 3.14Å; K642-D645 PolarHBondContact O-N 3.47Å
646	E	47.3	Very low	47	Very low	125 Å²	125	145.6 Å²	145.6	58%	0.584	69%	0.688	S	S	*	*	H	α-helix	trans	-73.7	-29.2	-179.7	-75.5	178.8	139.8	0	0	113.5	K642 M648	K642-E646 IonicContact NZ-OE1 3.95Å; K642-E646 PolarHBondContact NZ-OE1 3.34Å; K642-E646 IonicContact NZ-OE2 3.13Å; K642-E646 PolarHBondContact NZ-OE2 2.99Å; K642-E646 WeakPolarHBondContact O-CB 3.16Å; K642-E646 WeakPolarHBondContact O-CG 3.35Å; K642-E646 PolarHBondContact O-N 2.99Å; E646-M648 VanDerWaalsContact C-N 3.32Å; E646-M648 PolarHBondContact O-N 3.2Å
647	Q	41.7	Very low	44.7	Very low	172 Å²	172	143.4 Å²	143.4	80%	0.804	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	3.7	-178.5	-160.3	145.9	14	0	0	114.1	Q643	Q643-Q647 WeakPolarHBondContact O-CB 3.44Å; Q643-Q647 PolarHBondContact O-N 2.86Å
648	M	38.1	Very low	42.6	Very low	173 Å²	173	143.2 Å²	143.2	85%	0.852	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	6.7	178.5	-148.2	173.6	-171	0	0	113.6	E646	E646-M648 VanDerWaalsContact C-N 3.32Å; E646-M648 PolarHBondContact O-N 3.2Å
649	R	36.7	Very low	41	Very low	233 Å²	233	139.5 Å²	139.5	88%	0.879	69%	0.687	S	S	*	*			trans	-119.6	48.9	-177.1	-150.2	176.3	-164.5	-178.1	4.2	113.3
650	D	37.1	Very low	39.5	Very low	131 Å²	131	139.3 Å²	139.3	70%	0.701	69%	0.694	S	S	*	*			trans	-77	167.2	175.5	-168.6	20.8	0	0	0	112.2
651	N	31.9	Very low	38.5	Very low	120 Å²	120	141 Å²	141	64%	0.642	70%	0.697	S	S	*	*			trans	71.3	92.9	166.1	-58.6	-72.6	0	0	0	121.2
652	S	30.7	Very low	37.1	Very low	109 Å²	109	137.3 Å²	137.3	76%	0.762	70%	0.699	S	S	*	*				70.4	179.5	123.9	-42.4	0	0	0	0	117.9
653	P	52.7	Low	36.3	Very low	114 Å²	114	138.5 Å²	138.5	74%	0.74	71%	0.706	S	S	*	*				-136.6	177.1	-113.6	37.4	-13.8	0	0	0	117.4
654	V	31.8	Very low	35.2	Very low	133 Å²	133	142.6 Å²	142.6	81%	0.806	72%	0.722	S	S	*	*			trans	65.5	116.6	165.7	-171.2	0	0	0	0	117.8
655	H	25.6	Very low	34.5	Very low	169 Å²	169	142.7 Å²	142.7	78%	0.782	72%	0.723	S	S	*	*				-174.4	163.4	107.8	-155.1	-91.4	0	0	0	112.6
656	L	33.5	Very low	34	Very low	138 Å²	138	142.6 Å²	142.6	72%	0.723	73%	0.726	S	S	*	*			trans	-82.8	163.2	177.6	-143.7	80.1	0	0	0	113.8
657	Q	24.5	Very low	33.4	Very low	135 Å²	135	143.6 Å²	143.6	63%	0.631	73%	0.731	S	S	*	*			trans	84.9	123.9	140.5	-164.1	175.5	-8.1	0	0	120.2
658	Y	27.2	Very low	33	Very low	199 Å²	199	142.9 Å²	142.9	78%	0.78	73%	0.727	S	S	*	*				-172.8	166	110	-112.6	-83.6	0	0	0	115.6
659	S	28.4	Very low	32.5	Very low	91 Å²	91	139.8 Å²	139.8	64%	0.636	72%	0.718	S	S	*	*			trans	-26.4	150.1	175.3	55	0	0	0	0	120.5
660	M	27.7	Very low	32.1	Very low	161 Å²	161	134.1 Å²	134.1	79%	0.793	71%	0.71	S	S	*	*			cis	70	108.1	47.1	-79.3	-103.7	-70.4	0	0	116.6
661	Y	34.3	Very low	31.6	Very low	194 Å²	194	136.3 Å²	136.3	76%	0.761	72%	0.716	S	S	*	*				162.8	139.7	127.4	-107.9	-98	0	0	0	110.6	H663	Y661-H663 AromaticContact CD1-ND1 3.81Å; Y661-H663 AromaticContact CE1-CE1 3.66Å; Y661-H663 AromaticContact CE1-ND1 3.35Å; Y661-H663 VanDerWaalsContact CE1-ND1 3.35Å; Y661-H663 WeakPolarHBondContact CE1-ND1 3.29Å
662	G	26.9	Very low	31.5	Very low	63 Å²	63	141.7 Å²	141.7	65%	0.649	73%	0.727	S	S	*	*			cis	168.5	177.1	-11.5	0	0	0	0	0	114.9
663	H	35.3	Very low	32	Very low	140 Å²	140	142.2 Å²	142.2	65%	0.648	73%	0.728	S	S	*	*			trans	53.4	109.4	152.5	-76	81.6	0	0	0	121.8	Y661	Y661-H663 AromaticContact CD1-ND1 3.81Å; Y661-H663 AromaticContact CE1-CE1 3.66Å; Y661-H663 AromaticContact CE1-ND1 3.35Å; Y661-H663 VanDerWaalsContact CE1-ND1 3.35Å; Y661-H663 WeakPolarHBondContact CE1-ND1 3.29Å
664	K	29	Very low	30.8	Very low	191 Å²	191	141.9 Å²	141.9	83%	0.83	73%	0.728	S	S	*	*				-177.9	105.9	102.5	-94.7	174.2	-177.5	-179.8	0	110
665	T	36.1	Very low	30.6	Very low	103 Å²	103	140.3 Å²	140.3	63%	0.632	73%	0.729	S	S	*	*				71.8	127.6	85.9	60.5	0	0	0	0	114.5
666	T	37	Very low	30.6	Very low	101 Å²	101	137.2 Å²	137.2	62%	0.62	73%	0.727	S	S	*	*			cis	-161.2	173.4	0.9	9.8	0	0	0	0	112
667	H	34.5	Very low	30.2	Very low	145 Å²	145	138 Å²	138	67%	0.671	73%	0.73	S	S	*	*			trans	79	154.6	170.2	-41.1	-67.1	0	0	0	114.5
668	H	33.5	Very low	30.3	Very low	157 Å²	157	141 Å²	141	73%	0.727	74%	0.738	S	S	*	*			cis	-176	161.9	-27.3	-90.7	-29.8	0	0	0	105.7
669	T	28.6	Very low	30.1	Very low	109 Å²	109	138.4 Å²	138.4	67%	0.669	73%	0.732	S	S	*	*			cis	-177	150.1	-10.8	33.3	0	0	0	0	105.4
670	T	28.9	Very low	29.8	Very low	114 Å²	114	140.9 Å²	140.9	70%	0.699	73%	0.734	S	S	*	*			cis	-171.3	158	-4.8	19.1	0	0	0	0	106.8
671	E	26.1	Very low	29.7	Very low	177 Å²	177	140.2 Å²	140.2	83%	0.827	73%	0.729	S	S	*	*			cis	-154.8	-105.7	-13.6	-161.1	171.3	118	0	0	112.1
672	R	29.3	Very low	29	Very low	232 Å²	232	138.8 Å²	138.8	88%	0.875	73%	0.731	S	S	*	*			trans	-165.4	-174.2	-179.1	-109.2	179.5	-175.5	176.1	1.1	106.7
673	P	41.3	Very low	29	Very low	120 Å²	120	141.8 Å²	141.8	78%	0.779	74%	0.736	S	S	*	*			cis	-138.6	-114.7	21.2	40.5	-16.5	0	0	0	115.4
674	S	27.8	Very low	28.7	Very low	107 Å²	107	140.3 Å²	140.3	75%	0.748	74%	0.742	S	S	*	*			trans	-162	176.8	-143.3	57.6	0	0	0	0	115.1
675	A	26.6	Very low	28.9	Very low	101 Å²	101	136.9 Å²	136.9	84%	0.835	74%	0.739	S	S	*	*			trans	87.2	177.2	157.6	0	0	0	0	0	118.2
676	S	25.9	Very low	28.3	Very low	104 Å²	104	139.4 Å²	139.4	73%	0.727	75%	0.746	S	S	*	*			trans	-127.8	156.5	-154.5	50.9	0	0	0	0	113.9
677	L	26.3	Very low	27.8	Very low	153 Å²	153	140.1 Å²	140.1	80%	0.801	75%	0.749	S	S	*	*			trans	157.9	142	133	-83.8	163.5	0	0	0	112.7
678	Y	25.3	Very low	27.5	Very low	199 Å²	199	140 Å²	140	78%	0.78	75%	0.749	S	S	*	*			trans	27.1	124.9	149.4	-88.4	-101.7	0	0	0	122
679	E	23.3	Very low	27.2	Very low	144 Å²	144	137.9 Å²	137.9	67%	0.673	75%	0.747	S	S	*	*				150.2	118.2	100.9	-164.7	122	-121.4	0	0	115.8
680	Q	23	Very low	27.1	Very low	143 Å²	143	141.9 Å²	141.9	67%	0.668	75%	0.751	S	S	*	*			trans	58.6	129.7	144.5	-74.7	-178.6	57.7	0	0	126.2
681	H	24	Very low	26.9	Very low	147 Å²	147	145.6 Å²	145.6	68%	0.681	75%	0.752	S	S	*	*			trans	86	120.7	134.4	-82.4	79.1	0	0	0	124.2
682	M	21.1	Very low	26.9	Very low	164 Å²	164	142.5 Å²	142.5	81%	0.808	75%	0.75	S	S	*	*			trans	105.1	137.9	130.5	-77.5	-74.2	173.3	0	0	123.9
683	V	25.6	Very low	27.3	Very low	126 Å²	126	137.2 Å²	137.2	76%	0.764	75%	0.746	S	S	*	*			trans	83.6	100.5	161.7	-171.6	0	0	0	0	120.8
684	S	29.7	Very low	26.7	Very low	109 Å²	109	136.7 Å²	136.7	76%	0.762	75%	0.745	S	S	*	*				19.1	152.6	124.8	-65.7	0	0	0	0	122.6
685	P	32.2	Very low	26.6	Very low	119 Å²	119	142.1 Å²	142.1	77%	0.773	76%	0.756	S	S	*	*			cis	-148.6	160.9	44.8	41.4	-20.8	0	0	0	121.6
686	M	23.9	Very low	26.5	Very low	156 Å²	156	140.3 Å²	140.3	77%	0.768	75%	0.746	S	S	*	*			trans	11.9	141.4	135.2	-119.7	-175.5	-167	0	0	119.6
687	V	27.3	Very low	27.9	Very low	116 Å²	116	141.4 Å²	141.4	70%	0.703	75%	0.751	S	S	*	*				-170.1	125.3	74.7	152.4	0	0	0	0	113.5
688	H	27.8	Very low	27.9	Very low	143 Å²	143	143.5 Å²	143.5	66%	0.662	75%	0.754	S	S	*	*			trans	56.8	161.6	140.5	-60.3	64.9	0	0	0	121.4
689	V	27.4	Very low	27.9	Very low	112 Å²	112	141.6 Å²	141.6	68%	0.679	75%	0.752	S	S	*	*			cis	-152.8	138.1	3.9	98.8	0	0	0	0	114
690	Y	25.8	Very low	28	Very low	193 Å²	193	141 Å²	141	76%	0.757	75%	0.753	S	S	*	*			trans	40.5	168.5	147	-76.2	-124.8	0	0	0	125.6
691	R	25.8	Very low	28.2	Very low	193 Å²	193	140.7 Å²	140.7	73%	0.728	75%	0.751	S	S	*	*			cis	176.5	94.8	-46.3	-169	178.7	-159.6	177.9	4.2	114.4
692	S	25	Very low	28.4	Very low	111 Å²	111	141.1 Å²	141.1	78%	0.776	75%	0.753	S	S	*	*			trans	60.4	179.3	150.4	-39.5	0	0	0	0	119.1
693	P	38.9	Very low	28.7	Very low	121 Å²	121	140.3 Å²	140.3	79%	0.786	75%	0.747	S	S	*	*			cis	-131	-178.9	-16.4	37	-17.4	0	0	0	116.4
694	S	27.5	Very low	28.9	Very low	109 Å²	109	142.1 Å²	142.1	76%	0.762	75%	0.747	S	S	*	*			trans	-32.8	156.4	171.1	-35.7	0	0	0	0	122.3
695	F	27.4	Very low	28.8	Very low	222 Å²	222	145.3 Å²	145.3	97%	0.974	75%	0.75	S	S	*	*			trans	-157.2	176.3	135.4	-118.1	-78.1	0	0	0	113.3
696	G	24.1	Very low	28.6	Very low	62 Å²	62	143 Å²	143	64%	0.639	75%	0.748	S	S	*	*			trans	-110.7	-163.4	-171.3	0	0	0	0	0	116.5
697	P	54.7	Low	28.8	Very low	127 Å²	127	142.4 Å²	142.4	83%	0.825	75%	0.748	S	S	*	*			trans	-102.6	157.1	-154.7	38	-37.2	0	0	0	117.1
698	K	25.7	Very low	29.2	Very low	198 Å²	198	143.5 Å²	143.5	86%	0.861	75%	0.745	S	S	*	*			trans	177.5	131.7	138.8	-102	171.5	-178.7	-172.8	0	114.1
699	H	25.3	Very low	29.5	Very low	159 Å²	159	143.5 Å²	143.5	74%	0.736	74%	0.743	S	S	*	*				47	151.4	116.6	-126.6	-77.7	0	0	0	122.9
700	L	27.1	Very low	29.6	Very low	132 Å²	132	146.5 Å²	146.5	69%	0.691	75%	0.75	S	S	*	*			trans	80.4	145.2	164.6	-50.3	172.3	0	0	0	116.4
701	E	26.1	Very low	29.8	Very low	136 Å²	136	140.6 Å²	140.6	64%	0.636	75%	0.748	S	S	*	*			cis	-167.7	174.8	-27.3	-141.7	142.7	-129	0	0	109.3
702	E	27.9	Very low	30	Very low	156 Å²	156	136.6 Å²	136.6	73%	0.729	75%	0.749	S	S	*	*			trans	64.8	154	159.4	-70.2	152.6	175.6	0	0	118.4
703	E	27.3	Very low	30.4	Very low	147 Å²	147	137.6 Å²	137.6	69%	0.687	75%	0.746	S	S	*	*			cis	-158	149.6	3.7	-131.3	163.1	-158.9	0	0	112
704	E	29.3	Very low	29.9	Very low	163 Å²	163	135.2 Å²	135.2	76%	0.762	74%	0.737	S	S	*	*			trans	45.2	160.3	146.3	-71.9	179.4	173.1	0	0	123.7
705	E	27.9	Very low	30	Very low	177 Å²	177	139.4 Å²	139.4	83%	0.827	74%	0.741	S	S	*	*			cis	-154.4	153.9	3.3	-142.2	-166.1	166.6	0	0	112.9
706	G	28.3	Very low	30.1	Very low	69 Å²	69	136.6 Å²	136.6	71%	0.711	73%	0.731	S	S	*	*			trans	74.4	152.4	151.1	0	0	0	0	0	121.5
707	N	29.2	Very low	30.2	Very low	145 Å²	145	140 Å²	140	78%	0.775	73%	0.734	S	S	*	*			cis	-164.7	139.6	-11.1	-154.4	20.7	0	0	0	113.1
708	E	34	Very low	28.8	Very low	139 Å²	139	142.3 Å²	142.3	65%	0.65	73%	0.733	S	S	*	*			trans	52.7	146.6	161.7	-65.1	-163.3	156.6	0	0	120.4
709	K	33.8	Very low	28.8	Very low	143 Å²	143	143.9 Å²	143.9	62%	0.622	73%	0.734	S	S	*	*			cis	-166.5	174.3	6.8	-122.9	169	-173.2	146.6	0	109.4
710	E	30.9	Very low	28.9	Very low	174 Å²	174	141.1 Å²	141.1	81%	0.813	73%	0.733	S	S	*	*			cis	-143.2	-93.3	-1.3	-167.5	153.3	-106.7	0	0	112.6
711	G	29.7	Very low	28.9	Very low	69 Å²	69	142.9 Å²	142.9	71%	0.711	74%	0.742	S	S	*	*			trans	-153.5	-173.7	-179.3	0	0	0	0	0	113.2
712	S	30.8	Very low	29.1	Very low	109 Å²	109	143.7 Å²	143.7	76%	0.762	75%	0.749	S	S	*	*			cis	-158.9	-177.6	-3.9	-143.9	0	0	0	0	107.5
713	D	31.7	Very low	29	Very low	133 Å²	133	144.8 Å²	144.8	71%	0.711	76%	0.755	S	S	*	*			cis	-156.6	-172.6	11.2	-150.3	-84	0	0	0	110.7
714	A	29.7	Very low	29	Very low	71 Å²	71	147.2 Å²	147.2	59%	0.587	76%	0.758	S	S	*	*			trans	33.8	129	155	0	0	0	0	0	122.5
715	K	29.8	Very low	28.8	Very low	196 Å²	196	146.5 Å²	146.5	85%	0.852	75%	0.754	S	S	*	*			cis	-161.5	155.9	-2	-123.5	159.4	-164.7	169.9	0	111.9
716	H	27.9	Very low	28.7	Very low	164 Å²	164	144.9 Å²	144.9	76%	0.759	75%	0.751	S	S	*	*			trans	-63.8	149.2	176.4	-78.9	-109.4	0	0	0	112.3
717	L	27.6	Very low	28.6	Very low	134 Å²	134	150.8 Å²	150.8	70%	0.702	76%	0.76	S	S	*	*			cis	74.3	104.5	38.9	-153.8	-175.4	0	0	0	112.8
718	Q	25.1	Very low	28.5	Very low	174 Å²	174	149 Å²	149	81%	0.813	76%	0.759	S	S	*	*			trans	-164.9	155.2	140.8	-147.9	59.5	-9.1	0	0	113.4
719	R	25.8	Very low	28.5	Very low	231 Å²	231	148.3 Å²	148.3	87%	0.872	77%	0.767	S	S	*	*			trans	-81.2	149	176	-82	171.5	157.3	171.7	-7.2	113.5
720	S	27.9	Very low	28.2	Very low	102 Å²	102	148.8 Å²	148.8	71%	0.713	78%	0.775	S	S	*	*				44.1	126.1	128.7	-163.8	0	0	0	0	120.9
721	L	25.4	Very low	27.9	Very low	168 Å²	168	147.2 Å²	147.2	88%	0.88	78%	0.778	S	S	*	*				-163.9	179.1	108.9	-103.3	165.7	0	0	0	111.9
722	L	30.2	Very low	27.6	Very low	153 Å²	153	147.6 Å²	147.6	80%	0.801	78%	0.782	S	S	*	*			trans	-98.6	163.9	-164.9	-90.7	163.7	0	0	0	115.1
723	E	27.6	Very low	27.3	Very low	180 Å²	180	147.7 Å²	147.7	84%	0.841	78%	0.782	S	S	*	*			trans	67.5	132	166.4	-66	178.4	-177.9	0	0	119
724	R	26	Very low	27.1	Very low	197 Å²	197	149.6 Å²	149.6	74%	0.743	79%	0.792	S	S	*	*				164.8	133.9	93	-176.5	169.4	164.5	133.1	12.2	115.3
725	E	25.8	Very low	26.9	Very low	148 Å²	148	153.5 Å²	153.5	69%	0.692	80%	0.8	S	S	*	*			trans	65.1	165.3	156.4	-76.9	168.8	168.9	0	0	123.4
726	N	25.9	Very low	26.7	Very low	143 Å²	143	153.2 Å²	153.2	77%	0.765	80%	0.799	S	S	*	*			trans	-105.5	165.9	-168.1	-56.4	-77.2	0	0	0	112.6
727	H	24.9	Very low	26.5	Very low	193 Å²	193	154.2 Å²	154.2	89%	0.894	80%	0.797	S	S	*	*				-171.2	151.5	117.4	-96.4	-63.6	0	0	0	112.2
728	S	28	Very low	26.3	Very low	108 Å²	108	156 Å²	156	76%	0.755	80%	0.8	S	S	*	*			trans	-91.2	169.3	-179.1	-40.6	0	0	0	0	112.7
729	P	34.9	Very low	26.2	Very low	125 Å²	125	152 Å²	152	81%	0.812	79%	0.787	S	S	*	*				-150.9	137.8	97.7	36.7	-18.5	0	0	0	118.5
730	L	27.3	Very low	26.1	Very low	152 Å²	152	146.3 Å²	146.3	80%	0.796	78%	0.778	S	S	*	*			trans	26.1	143.7	137.4	-70.6	167.7	0	0	0	125
731	T	24.8	Very low	26	Very low	142 Å²	142	147.4 Å²	147.4	87%	0.871	78%	0.776	S	S	*	*			trans	71.2	139	145.6	48.7	0	0	0	0	121.5
732	G	22.8	Very low	26	Very low	77 Å²	77	146.8 Å²	146.8	79%	0.794	77%	0.769	S	S	*	*			trans	161.2	57.4	169.2	0	0	0	0	0	117.3
733	S	25.3	Very low	25.7	Very low	111 Å²	111	143.2 Å²	143.2	78%	0.776	76%	0.757	S	S	*	*			trans	-59.3	148.9	-180	55.9	0	0	0	0	115.9
734	N	26.5	Very low	25.6	Very low	173 Å²	173	140.5 Å²	140.5	93%	0.925	75%	0.753	S	S	*	*			trans	-148.3	137.1	144.5	-111.1	-45.7	0	0	0	111.7
735	M	25.9	Very low	25.5	Very low	153 Å²	153	139.8 Å²	139.8	75%	0.754	76%	0.758	S	S	*	*			trans	-156.4	125.1	-169	-152	-68.6	177.9	0	0	112.2
736	K	24.3	Very low	25.4	Very low	189 Å²	189	142.8 Å²	142.8	82%	0.822	77%	0.769	S	S	*	*			trans	-148.8	115.6	163.4	-70.7	-163.2	177.3	177.1	0	107.2
737	Y	25.6	Very low	25.2	Very low	185 Å²	185	143.2 Å²	143.2	73%	0.725	77%	0.77	S	S	*	*				67	134.5	88.7	-69.2	-43.4	0	0	0	113.3
738	K	22.8	Very low	25.5	Very low	172 Å²	172	139.5 Å²	139.5	75%	0.748	77%	0.766	S	S	*	*			cis	-170.9	172.9	-3	-138.8	-175.1	178.3	-165.1	0	107.1
739	T	23.2	Very low	25.4	Very low	90 Å²	90	143.7 Å²	143.7	55%	0.552	77%	0.771	S	S	*	*			cis	-160	160.4	9.2	-30.7	0	0	0	0	109.2
740	T	23.2	Very low	25.1	Very low	112 Å²	112	146.3 Å²	146.3	69%	0.687	77%	0.772	S	S	*	*			trans	55.4	137.5	153.1	48	0	0	0	0	119.8
741	N	25	Very low	25.3	Very low	125 Å²	125	144.5 Å²	144.5	67%	0.668	76%	0.764	S	S	*	*			cis	-168.2	168.2	-3.4	-111.5	9.4	0	0	0	107.5
742	Q	26	Very low	25.5	Very low	155 Å²	155	141.9 Å²	141.9	72%	0.724	76%	0.756	S	S	*	*			cis	-154.1	-178.3	4.8	-140.5	172.7	-88.6	0	0	112.7
743	S	23.6	Very low	26	Very low	78 Å²	78	142.8 Å²	142.8	55%	0.545	75%	0.75	S	S	.	*			trans	-27.2	155.3	155	61.8	0	0	0	0	118.9
744	T	25.4	Very low	26.3	Very low	123 Å²	123	140.6 Å²	140.6	76%	0.755	74%	0.735	S	S	*	*			cis	-135.9	127	34.3	48.1	0	0	0	0	117.1
745	E	24.1	Very low	26.6	Very low	182 Å²	182	138 Å²	138	85%	0.85	72%	0.721	S	S	*	*			trans	41.8	116.8	135	-58.8	-175.3	146.7	0	0	121.5
746	F	23.1	Very low	27	Very low	210 Å²	210	139.5 Å²	139.5	92%	0.921	72%	0.719	S	S	*	*			trans	-80	148.7	148.7	-93.5	-103.7	0	0	0	110.6
747	L	23.7	Very low	27.4	Very low	152 Å²	152	138.6 Å²	138.6	80%	0.796	71%	0.71	S	S	*	*			trans	-116.5	134.8	154.7	-79.6	172.7	0	0	0	109.8
748	S	29.8	Very low	27.9	Very low	115 Å²	115	135 Å²	135	80%	0.804	70%	0.704	S	S	*	*			trans	-81.4	137.4	177	54.7	0	0	0	0	111.5
749	F	26.5	Very low	28.7	Very low	197 Å²	197	132.2 Å²	132.2	86%	0.864	70%	0.696	S	S	*	*			trans	-122.6	137.2	168.6	-96.8	-89.4	0	0	0	112.3
750	Q	29.4	Very low	29.3	Very low	179 Å²	179	132.9 Å²	132.9	84%	0.836	70%	0.695	S	S	*	*			trans	-85	-176.2	163.8	-64.4	173.2	-83	0	0	109.3
751	D	29.7	Very low	29.9	Very low	115 Å²	115	132.5 Å²	132.5	62%	0.615	69%	0.686	S	S	*	*			trans	68.2	43.9	169.9	-59.4	-12.9	0	0	0	118.5	S753 S754	D751-S753 PolarHBondContact O-N 3.34Å; D751-S753 VanDerWaalsContact O-N 3.08Å; D751-S754 PolarHBondContact O-N 3.48Å; D751-S754 PolarHBondContact O-OG 3.31Å
752	A	30.8	Very low	30.4	Very low	86 Å²	86	132.9 Å²	132.9	71%	0.711	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	-15.4	160.9	0	0	0	0	0	114	S754	A752-S754 VanDerWaalsContact C-N 3.31Å; A752-S754 PolarHBondContact O-N 2.91Å
753	S	31.3	Very low	31.1	Very low	97 Å²	97	130.8 Å²	130.8	68%	0.678	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-11.3	176.2	39.7	0	0	0	0	114.7	D751	D751-S753 PolarHBondContact O-N 3.34Å; D751-S753 VanDerWaalsContact O-N 3.08Å
754	S	33.3	Very low	31.7	Very low	65 Å²	65	136.7 Å²	136.7	46%	0.455	68%	0.682	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87	-31	-178.8	63.6	0	0	0	0	114.2	D751 A752 N758	D751-S754 PolarHBondContact O-N 3.48Å; D751-S754 PolarHBondContact O-OG 3.31Å; A752-S754 VanDerWaalsContact C-N 3.31Å; A752-S754 PolarHBondContact O-N 2.91Å; S754-N758 PolarHBondContact O-ND2 2.89Å
755	L	32.6	Very low	32.1	Very low	119 Å²	119	137.8 Å²	137.8	62%	0.623	68%	0.679	S	S	*	*	H	α-helix	trans	-75	-34.9	-176.2	-72.3	167.6	0	0	0	112.8	R757 N758	L755-R757 PolarHBondContact O-N 3.47Å; L755-N758 PolarHBondContact O-N 2.96Å
756	Y	33.5	Very low	32.9	Very low	184 Å²	184	134.5 Å²	134.5	72%	0.722	67%	0.666	S	S	*	*	H	α-helix	trans	-65.6	-23.2	-177.5	-119	-82	0	0	0	114.2	L760	Y756-L760 HydrophobicContact CD1-CD1 4.32Å
757	R	33.2	Very low	33.7	Very low	169 Å²	169	132.1 Å²	132.1	64%	0.638	66%	0.658	S	S	*	*	H	α-helix	trans	-68.5	-46.8	173.5	-101.4	-75.5	-171.9	156.2	1.8	112.4	L755 I759 E761	L755-R757 PolarHBondContact O-N 3.47Å; R757-I759 PolarHBondContact O-N 3.49Å; R757-E761 IonicContact NH1-OE1 2.68Å; R757-E761 PolarHBondContact NH1-OE1 3.28Å; R757-E761 PolarHBondContact O-N 3.31Å
758	N	35.6	Very low	34.6	Very low	111 Å²	111	133.2 Å²	133.2	59%	0.594	66%	0.659	S	S	*	*	H	α-helix	trans	-74.8	-25.1	-170.2	-78.2	-84	0	0	0	113.7	S754 L755 K762	S754-N758 PolarHBondContact O-ND2 2.89Å; L755-N758 PolarHBondContact O-N 2.96Å; N758-K762 WeakPolarHBondContact O-CB 3.43Å; N758-K762 PolarHBondContact O-N 2.85Å
759	I	39.3	Very low	35	Very low	113 Å²	113	133.7 Å²	133.7	58%	0.579	65%	0.652	S	S	*	*	H	α-helix	trans	-75.2	-46.6	179.4	-64.3	174.8	0	0	0	110.6	R757 E761 K762 E763	R757-I759 PolarHBondContact O-N 3.49Å; I759-E761 VanDerWaalsContact C-N 3.35Å; I759-E761 PolarHBondContact O-N 2.94Å; I759-K762 PolarHBondContact O-N 3.34Å; I759-E763 PolarHBondContact O-N 3.38Å
760	L	36.1	Very low	35.7	Very low	103 Å²	103	126.4 Å²	126.4	54%	0.539	63%	0.633	S	S	.	*	H	α-helix	trans	-68.5	-27.7	-178.8	-76.1	165.6	0	0	0	113.9	Y756	Y756-L760 HydrophobicContact CD1-CD1 4.32Å
761	E	35.5	Very low	36.6	Very low	104 Å²	104	124.5 Å²	124.5	49%	0.486	63%	0.627	S	S	.	*	H	α-helix	trans	-73.7	-38.8	170.7	-83	163.7	179.3	0	0	111.4	R757 I759 R764 E765	R757-E761 IonicContact NH1-OE1 2.68Å; R757-E761 PolarHBondContact NH1-OE1 3.28Å; R757-E761 PolarHBondContact O-N 3.31Å; I759-E761 VanDerWaalsContact C-N 3.35Å; I759-E761 PolarHBondContact O-N 2.94Å; E761-R764 WeakPolarHBondContact O-CB 3.44Å; E761-R764 PolarHBondContact O-N 3.48Å; E761-E765 PolarHBondContact O-N 3.38Å
762	K	36.3	Very low	37	Very low	133 Å²	133	124.5 Å²	124.5	58%	0.578	63%	0.631	S	S	*	*	H	α-helix	trans	-72.8	-32.6	-179.1	-152.1	174.1	-165.8	178.5	0	113.9	N758 I759 R764 L766	N758-K762 WeakPolarHBondContact O-CB 3.43Å; N758-K762 PolarHBondContact O-N 2.85Å; I759-K762 PolarHBondContact O-N 3.34Å; K762-R764 PolarHBondContact O-N 2.86Å; K762-L766 PolarHBondContact O-N 2.89Å
763	E	41.4	Very low	37.5	Very low	112 Å²	112	126.3 Å²	126.3	52%	0.523	63%	0.625	S	S	.	*	H	α-helix	trans	-65.7	-29.5	171.6	-171.4	167.9	-150.4	0	0	111.8	I759 L766	I759-E763 PolarHBondContact O-N 3.38Å; E763-L766 PolarHBondContact O-N 3.37Å
764	R	35.7	Very low	38	Very low	201 Å²	201	128.4 Å²	128.4	76%	0.758	62%	0.619	S	S	*	*	H	α-helix	trans	-76.9	-33	179.4	-149.4	170.3	-173	174.4	-0.2	113.1	E761 K762	E761-R764 WeakPolarHBondContact O-CB 3.44Å; E761-R764 PolarHBondContact O-N 3.48Å; K762-R764 PolarHBondContact O-N 2.86Å
765	E	34.3	Very low	38.4	Very low	146 Å²	146	130.2 Å²	130.2	68%	0.682	62%	0.623	S	S	*	*	H	α-helix	trans	-66.5	-37.7	170.1	-67.2	-168.9	137.6	0	0	112.1	E761 Q767 Q768	E761-E765 PolarHBondContact O-N 3.38Å; E765-Q767 PolarHBondContact O-N 2.92Å; E765-Q768 PolarHBondContact O-N 2.91Å
766	L	39.3	Very low	38.8	Very low	113 Å²	113	135 Å²	135	59%	0.592	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-14.1	-179.5	-94.6	161.7	0	0	0	114.5	K762 E763	K762-L766 PolarHBondContact O-N 2.89Å; E763-L766 PolarHBondContact O-N 3.37Å
767	Q	41.1	Very low	39.1	Very low	160 Å²	160	134.9 Å²	134.9	75%	0.748	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-7.3	176	-68.6	-173.4	-2.2	0	0	114.3	E765	E765-Q767 PolarHBondContact O-N 2.92Å
768	Q	41.8	Very low	39.5	Very low	175 Å²	175	131.5 Å²	131.5	82%	0.818	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	-10.8	-176.2	-79.2	-168.5	-23.5	0	0	116.3	E765	E765-Q768 PolarHBondContact O-N 2.91Å
769	L	39.1	Very low	39.5	Very low	126 Å²	126	133 Å²	133	66%	0.66	64%	0.637	S	S	*	*	S	Bend	trans	-132.2	140.1	178.5	-74.6	173.3	0	0	0	113.1
770	G	40.8	Very low	39.2	Very low	44 Å²	44	132.2 Å²	132.2	45%	0.454	65%	0.647	S	S	.	*			trans	-69.2	142	-174.5	0	0	0	0	0	113.9	T772 E773	G770-T772 PolarHBondContact O-N 2.59Å; G770-E773 PolarHBondContact O-N 3.21Å
771	I	47.2	Very low	39.2	Very low	138 Å²	138	135.9 Å²	135.9	71%	0.708	66%	0.662	S	S	*	*	H	α-helix	trans	-48.9	-31.9	-177	-62.3	165.3	0	0	0	113.1	E773 L775	I771-E773 PolarHBondContact O-N 3.46Å; I771-L775 HydrophobicContact CG2-CD1 4.09Å; I771-L775 PolarHBondContact O-N 2.86Å
772	T	39.1	Very low	39	Very low	115 Å²	115	139.2 Å²	139.2	71%	0.706	68%	0.682	S	S	*	*	H	α-helix	trans	-69	-26.2	-178.1	46.5	0	0	0	0	114.9	G770	G770-T772 PolarHBondContact O-N 2.59Å
773	E	42.2	Very low	38.6	Very low	124 Å²	124	142 Å²	142	58%	0.579	70%	0.697	S	S	*	*	H	α-helix	trans	-85.8	-33.8	175.5	-71.5	-164.2	113.5	0	0	112.5	G770 I771 L775 R776 K777	G770-E773 PolarHBondContact O-N 3.21Å; I771-E773 PolarHBondContact O-N 3.46Å; E773-L775 PolarHBondContact O-N 3.32Å; E773-R776 PolarHBondContact O-N 2.89Å; E773-K777 PolarHBondContact O-N 3.47Å
774	Y	40.4	Very low	38.3	Very low	142 Å²	142	142 Å²	142	56%	0.557	71%	0.706	S	S	*	*	H	α-helix	trans	-61.3	-43.3	175.7	-173.8	-94.3	0	0	0	111.9	K777 N778	Y774-K777 PolarHBondContact O-N 3.27Å; Y774-N778 PolarHBondContact O-ND2 3.45Å
775	L	42.8	Very low	37.7	Very low	102 Å²	102	140 Å²	140	53%	0.534	71%	0.711	S	S	.	*	H	α-helix	trans	-64.8	-38.4	174.8	-70.3	169.9	0	0	0	112.2	I771 E773 K777 I779	I771-L775 HydrophobicContact CG2-CD1 4.09Å; I771-L775 PolarHBondContact O-N 2.86Å; E773-L775 PolarHBondContact O-N 3.32Å; L775-K777 PolarHBondContact O-N 3.21Å; L775-I779 WeakPolarHBondContact O-CD1 3.38Å; L775-I779 WeakPolarHBondContact O-CG1 3.35Å
776	R	40.1	Very low	37.2	Very low	219 Å²	219	140.1 Å²	140.1	83%	0.826	71%	0.713	S	S	*	*	H	α-helix	trans	-64.6	-26.8	-178.3	-159.2	-178.7	-162.9	109.3	5.4	113.4	E773	E773-R776 PolarHBondContact O-N 2.89Å
777	K	39.7	Very low	36.4	Very low	183 Å²	183	141.7 Å²	141.7	80%	0.796	72%	0.718	S	S	*	*	H	α-helix	trans	-90.6	-21.3	-172.7	-144.7	173.9	-173.8	178.8	0	114.4	E773 Y774 L775	E773-K777 PolarHBondContact O-N 3.47Å; Y774-K777 PolarHBondContact O-N 3.27Å; L775-K777 PolarHBondContact O-N 3.21Å
778	N	41.3	Very low	35.6	Very low	98 Å²	98	138.9 Å²	138.9	52%	0.524	72%	0.722	S	S	.	*	H	α-helix	trans	-104.7	-6.7	-169.7	-71.3	-67.2	0	0	0	115.3	Y774 A780	Y774-N778 PolarHBondContact O-ND2 3.45Å; N778-A780 PolarHBondContact O-N 3.31Å
779	I	37.1	Very low	34.7	Very low	142 Å²	142	138 Å²	138	73%	0.728	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-74.5	-9.5	-176.5	-72.9	169.1	0	0	0	113.4	L775 Q781	L775-I779 WeakPolarHBondContact O-CD1 3.38Å; L775-I779 WeakPolarHBondContact O-CG1 3.35Å; I779-Q781 PolarHBondContact O-N 2.93Å
780	A	32.4	Very low	34	Very low	96 Å²	96	143.2 Å²	143.2	79%	0.793	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-88.2	16.2	-169.4	0	0	0	0	0	116.5	N778	N778-A780 PolarHBondContact O-N 3.31Å
781	Q	36.4	Very low	33.4	Very low	181 Å²	181	146.5 Å²	146.5	85%	0.846	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-131.3	17	-171	-78.1	-163.7	-28.3	0	0	117.2	I779	I779-Q781 PolarHBondContact O-N 2.93Å
782	L	31.1	Very low	32.4	Very low	174 Å²	174	143.4 Å²	143.4	91%	0.911	75%	0.746	S	S	*	*			trans	-122.1	96.4	167.5	-76.3	167.4	0	0	0	110.4
783	Q	27.9	Very low	31.9	Very low	190 Å²	190	143.2 Å²	143.2	89%	0.888	76%	0.756	S	S	*	*			trans	-82.1	156.2	163.5	-92.6	-170.8	-91.7	0	0	110.7
784	P	34	Very low	31.2	Very low	112 Å²	112	143.8 Å²	143.8	73%	0.727	76%	0.758	S	S	*	*			trans	-91.1	173.6	-169.3	38.3	-37.8	0	0	0	112.8
785	D	23.9	Very low	30.5	Very low	160 Å²	160	146.2 Å²	146.2	86%	0.856	78%	0.775	S	S	*	*			trans	-133.6	158.8	145.1	-128	-33.3	0	0	0	111
786	M	24.1	Very low	29.9	Very low	148 Å²	148	150.7 Å²	150.7	73%	0.729	79%	0.793	S	S	*	*			trans	-87.5	168.1	-171.9	-72.4	158.4	51.9	0	0	111.5
787	E	22.4	Very low	29.5	Very low	146 Å²	146	148.1 Å²	148.1	68%	0.682	80%	0.795	S	S	*	*			cis	-160.1	145.7	4.6	-137.4	168.5	172.5	0	0	110.6
788	A	24.7	Very low	29	Very low	102 Å²	102	147.9 Å²	147.9	84%	0.843	79%	0.793	S	S	*	*			trans	-159.5	113.2	158.3	0	0	0	0	0	111.2
789	H	22.5	Very low	28.5	Very low	157 Å²	157	151.1 Å²	151.1	73%	0.727	81%	0.81	S	S	*	*			trans	-85.6	136.2	174.7	-93.2	64.7	0	0	0	111.7
790	Y	23.6	Very low	28	Very low	234 Å²	234	153.3 Å²	153.3	92%	0.918	82%	0.82	S	S	*	*				-160.6	127.7	129.5	-111.3	-72.9	0	0	0	110.7
791	P	28.6	Very low	28	Very low	113 Å²	113	157.7 Å²	157.7	73%	0.734	82%	0.823	S	S	*	*			trans	-98.2	151.7	-179.6	36.5	-34	0	0	0	113.4
792	G	26.3	Very low	27.6	Very low	73 Å²	73	155.4 Å²	155.4	75%	0.753	82%	0.822	S	S	*	*			trans	177.6	125.9	167.6	0	0	0	0	0	114.6
793	A	29	Very low	27.4	Very low	111 Å²	111	155.1 Å²	155.1	92%	0.917	82%	0.82	S	S	*	*			trans	49	87.6	165.4	0	0	0	0	0	117.9
794	H	26.4	Very low	27.4	Very low	137 Å²	137	154.7 Å²	154.7	63%	0.634	82%	0.821	S	S	*	*			trans	-115.4	95.5	167.7	169.9	92.6	0	0	0	109.4
795	E	26.8	Very low	27.3	Very low	193 Å²	193	160.3 Å²	160.3	90%	0.902	83%	0.829	S	S	*	*			trans	-157.9	75.8	179.3	-147.4	157.2	-125.4	0	0	114.1
796	E	29.1	Very low	27.4	Very low	195 Å²	195	158.1 Å²	158.1	91%	0.911	83%	0.826	S	S	*	*	S	Bend	trans	-161.1	-12.8	153.2	-125.4	172.7	-154.8	0	0	115.5	K798	E796-K798 PolarHBondContact O-N 2.91Å
797	L	31.2	Very low	27.7	Very low	166 Å²	166	162.8 Å²	162.8	87%	0.869	84%	0.836	S	S	*	*	S	Bend	trans	-93.4	17.7	-177.1	-88.2	166.7	0	0	0	116.2
798	K	29.8	Very low	28.3	Very low	177 Å²	177	161.2 Å²	161.2	77%	0.77	84%	0.838	S	S	*	*			trans	-113.9	49.1	-178.4	-80.4	-172.3	175.6	173.9	0	114.5	E796	E796-K798 PolarHBondContact O-N 2.91Å
799	L	30.9	Very low	28.3	Very low	167 Å²	167	168.1 Å²	168.1	87%	0.874	84%	0.843	S	S	*	*	S	Bend	trans	-148.6	31.6	171.7	-126.4	167.9	0	0	0	116
800	M	27.1	Very low	28.8	Very low	188 Å²	188	170.3 Å²	170.3	93%	0.926	85%	0.85	S	S	*	*	S	Bend	trans	-147.2	42	167.3	-152.6	164.2	67.1	0	0	115.4
801	E	31.5	Very low	28.8	Very low	187 Å²	187	166.4 Å²	166.4	87%	0.874	85%	0.85	S	S	*	*	S	Bend	trans	-125.7	50.3	168.2	-157.7	178.3	-151.5	0	0	112.3
802	T	27.6	Very low	28.7	Very low	134 Å²	134	168.4 Å²	168.4	82%	0.822	85%	0.854	S	S	*	*			trans	-161	93.5	167.5	-14.3	0	0	0	0	111.4
803	L	28.9	Very low	28.5	Very low	167 Å²	167	170.6 Å²	170.6	87%	0.874	85%	0.852	S	S	*	*			trans	179.5	26.1	149.2	-100.8	166.4	0	0	0	115.4	Y805	L803-Y805 PolarHBondContact O-N 3.05Å; L803-Y805 VanDerWaalsContact O-N 3.12Å
804	M	26.4	Very low	28.3	Very low	182 Å²	182	174.1 Å²	174.1	90%	0.897	85%	0.85	S	S	*	*			trans	-78.9	87.5	163.9	-78.7	-76.4	-91.5	0	0	110
805	Y	32.1	Very low	28.4	Very low	230 Å²	230	176.2 Å²	176.2	90%	0.902	86%	0.86	S	S	*	*			trans	171.3	93.7	149.3	-93	-58.6	0	0	0	112.4	L803	L803-Y805 PolarHBondContact O-N 3.05Å; L803-Y805 VanDerWaalsContact O-N 3.12Å
806	S	26	Very low	28.4	Very low	114 Å²	114	174 Å²	174	80%	0.797	86%	0.86	S	S	*	*			trans	-161.9	155.7	151.1	61.9	0	0	0	0	112.8
807	R	31	Very low	28.7	Very low	246 Å²	246	173.7 Å²	173.7	93%	0.928	86%	0.855	S	S	*	*			trans	-125	142.5	163.8	-72.9	178	169	179.2	-3.1	106.4
808	P	35	Very low	28.7	Very low	113 Å²	113	172.4 Å²	172.4	73%	0.734	85%	0.849	S	S	*	*				-157.3	153	106.5	37.6	-19	0	0	0	118.5
809	R	24	Very low	28.5	Very low	247 Å²	247	170.9 Å²	170.9	93%	0.932	85%	0.845	S	S	*	*			trans	59.3	155.3	142.6	-74.3	-174.4	170.4	-179	-2.1	122.6
810	K	32.8	Very low	28.1	Very low	203 Å²	203	170.5 Å²	170.5	88%	0.883	83%	0.833	S	S	*	*			trans	-78.8	142	179	-55.5	175	177.5	-177.9	0	112.5
811	V	23.6	Very low	28.3	Very low	151 Å²	151	165.3 Å²	165.3	92%	0.915	81%	0.805	S	S	*	*			trans	-138	156	146.9	-180	0	0	0	0	107.8
812	L	26.6	Very low	28.3	Very low	156 Å²	156	163.4 Å²	163.4	82%	0.817	80%	0.796	S	S	*	*			trans	-104.7	139.2	179.5	174.7	78.5	0	0	0	109.5
813	V	23.6	Very low	28.4	Very low	118 Å²	118	158.6 Å²	158.6	72%	0.715	77%	0.765	S	S	*	*			trans	176.1	125.6	136.9	145.2	0	0	0	0	112.4
814	E	23.4	Very low	28.3	Very low	185 Å²	185	153.8 Å²	153.8	86%	0.864	74%	0.738	S	S	*	*			trans	52.6	-177.9	150.7	-61.5	-173.3	119.3	0	0	122.7
815	Q	28.5	Very low	28.7	Very low	182 Å²	182	147.5 Å²	147.5	85%	0.85	72%	0.715	S	S	*	*			trans	-120.6	146.3	-153.3	-55.8	169	-23.9	0	0	111.1
816	T	27.1	Very low	28.7	Very low	146 Å²	146	138.8 Å²	138.8	90%	0.896	68%	0.684	S	S	*	*				-156.5	143.4	115.5	21.4	0	0	0	0	109.6
817	K	35.7	Very low	28.8	Very low	189 Å²	189	134.8 Å²	134.8	82%	0.822	65%	0.653	S	S	*	*			trans	-122.1	137.5	163.8	-87	-169	171.4	-168.4	0	106.9
818	N	30.8	Very low	28.7	Very low	138 Å²	138	126.1 Å²	126.1	74%	0.738	62%	0.623	S	S	*	*			trans	167.9	140.5	156.7	-96.2	20.5	0	0	0	106.7
819	E	26.6	Very low	28.2	Very low	146 Å²	146	122 Å²	122	68%	0.682	60%	0.598	S	S	*	*			cis	-124.1	135.4	-25.4	-72.6	88.8	-177.5	0	0	108
820	Y	22.2	Very low	28.5	Very low	159 Å²	159	115.3 Å²	115.3	62%	0.624	58%	0.578	S	S	*	*	S	Bend	trans	-114.2	93.6	137.5	-163	-128.9	0	0	0	104	Q239	Q239-Y820 HydrophobicContact CG-CD1 4.2Å; Q239-Y820 HydrophobicContact CG-CE1 3.82Å; Q239-Y820 VanDerWaalsContact NE2-CG 3.31Å; Q239-Y820 PolarHBondContact NE2-O 3.4Å
821	F	31.7	Very low	28.5	Very low	78 Å²	78	107.2 Å²	107.2	34%	0.342	55%	0.546	S	S	.	.			trans	42.9	129	147.3	-74.4	-91.9	0	0	0	117.2	P238 Q239 L823	P238-F821 CarbonylContact O-C 3.14Å; Q239-F821 HydrophobicContact CB-CB 3.36Å; Q239-F821 VanDerWaalsContact CD-O 3.29Å; Q239-F821 HydrophobicContact CG-CB 3.92Å; Q239-F821 PolarHBondContact NE2-O 2.87Å; Q239-F821 PolarHBondContact OE1-O 3Å; F821-L823 HydrophobicContact CB-CD1 4.41Å; F821-L823 HydrophobicContact CD1-CD1 3.69Å; F821-L823 HydrophobicContact CD1-CG 4.26Å; F821-L823 HydrophobicContact CE1-CD1 4.4Å; F821-L823 HydrophobicContact CG-CD1 4.39Å
822	E	31.6	Very low	29.2	Very low	147 Å²	147	103.3 Å²	103.3	69%	0.687	52%	0.52	S	S	*	.			cis	60.5	143.5	42.4	-169.1	-173.7	-126.9	0	0	111.3	P238 Q239	P238-E822 CarbonylContact O-C 3.08Å; P238-E822 PolarHBondContact O-N 2.87Å; Q239-E822 WeakPolarHBondContact CA-O 3.18Å; Q239-E822 WeakPolarHBondContact CB-O 3.35Å
823	L	29	Very low	29.8	Very low	33 Å²	33	96.3 Å²	96.3	17%	0.173	48%	0.482	C	S	.	.			trans	86.8	124.5	-170.8	-45	149.4	0	0	0	109.1	L211 P238 Q239 S240 F821	L211-L823 HydrophobicContact CB-CD1 3.77Å; L211-L823 HydrophobicContact CD1-CD1 4.15Å; L211-L823 HydrophobicContact CD2-CD1 3.7Å; L211-L823 HydrophobicContact CG-CD1 4.05Å; P238-L823 CarbonylContact C-O 3.08Å; Q239-L823 CarbonylContact C-O 3.43Å; Q239-L823 WeakPolarHBondContact CA-O 3.39Å; Q239-L823 HydrophobicContact CB-CB 4.34Å; Q239-L823 HydrophobicContact CB-CD1 4.2Å; Q239-L823 PolarHBondContact N-O 3.44Å; Q239-L823 VanDerWaalsContact N-O 3.11Å; S240-L823 PolarHBondContact N-O 3.49Å; S240-L823 VanDerWaalsContact N-O 3.15Å; F821-L823 HydrophobicContact CB-CD1 4.41Å; F821-L823 HydrophobicContact CD1-CD1 3.69Å; F821-L823 HydrophobicContact CD1-CG 4.26Å; F821-L823 HydrophobicContact CE1-CD1 4.4Å; F821-L823 HydrophobicContact CG-CD1 4.39Å
824	K	27.2	Very low	30.4	Very low	67 Å²	67	94.5 Å²	94.5	29%	0.291	47%	0.469	S	S	.	.			cis	163.2	175.1	11.6	-121.7	175.1	179.2	-178.6	0	102.4	H187 L211 D212 S240 I241	H187-K824 PolarHBondContact CD2-NZ 2.95Å; H187-K824 PolarHBondContact NE2-NZ 3.33Å; L211-K824 WeakPolarHBondContact O-CD 3.37Å; D212-K824 VanDerWaalsContact CG-NZ 3.35Å; D212-K824 WeakPolarHBondContact OD2-CE 3.04Å; D212-K824 IonicContact OD2-NZ 2.61Å; D212-K824 PolarHBondContact OD2-NZ 3.17Å; S240-K824 VanDerWaalsContact C-CB 3.46Å; S240-K824 CarbonylContact O-C 3.06Å; S240-K824 PolarHBondContact O-N 3.3Å; I241-K824 VanDerWaalsContact CA-CB 3.41Å; I241-K824 HydrophobicContact CB-CB 3.71Å; I241-K824 HydrophobicContact CB-CD 3.87Å; I241-K824 HydrophobicContact CB-CG 4.12Å; I241-K824 HydrophobicContact CD1-CB 4.05Å; I241-K824 HydrophobicContact CD1-CD 3.46Å; I241-K824 VanDerWaalsContact CD1-CD 3.46Å; I241-K824 HydrophobicContact CD1-CG 3.54Å; I241-K824 HydrophobicContact CG1-CB 3.46Å; I241-K824 VanDerWaalsContact CG1-CB 3.46Å; I241-K824 HydrophobicContact CG1-CD 3.74Å; I241-K824 HydrophobicContact CG1-CG 3.58Å
825	A	34.2	Very low	31	Very low	50 Å²	50	91.3 Å²	91.3	41%	0.413	45%	0.453	S	S	.	.			trans	168.8	132.5	154.7	0	0	0	0	0	106.2	I241	I241-A825 VanDerWaalsContact CG1-CA 3.44Å; I241-A825 VanDerWaalsContact CG1-N 3.34Å
826	N	32.7	Very low	31.5	Very low	47 Å²	47	83.7 Å²	83.7	25%	0.251	42%	0.42	S	S	.	.			trans	-92.4	-179.9	-153.5	-115.9	13.8	0	0	0	113.9	Q214 I241	Q214-N826 VanDerWaalsContact CD-ND2 3.34Å; Q214-N826 PolarHBondContact NE2-ND2 3.39Å; Q214-N826 PolarHBondContact OE1-ND2 3.19Å; I241-N826 HydrophobicContact CD1-CB 4.02Å; I241-N826 WeakPolarHBondContact CD1-OD1 3.34Å; I241-N826 HydrophobicContact CG1-CB 3.91Å; I241-N826 HydrophobicContact CG2-CB 4.37Å
827	L	28.7	Very low	31.8	Very low	30 Å²	30	78 Å²	78	16%	0.157	38%	0.384	C	S	.	.				-178.1	164.5	68.8	-80.1	155.6	0	0	0	111.3	E216 D244 H393	E216-L827 HydrophobicContact CB-CD2 4.29Å; E216-L827 HydrophobicContact CG-CD1 3.42Å; E216-L827 VanDerWaalsContact CG-CD1 3.42Å; E216-L827 HydrophobicContact CG-CD2 3.54Å; E216-L827 HydrophobicContact CG-CG 3.97Å; E216-L827 VanDerWaalsContact OE1-CD1 3.24Å; E216-L827 WeakPolarHBondContact OE1-CD1 3.47Å; E216-L827 WeakPolarHBondContact OE1-CD2 3.32Å; E216-L827 VanDerWaalsContact OE1-CG 3.29Å; E216-L827 WeakPolarHBondContact OE1-CG 3.48Å; D244-L827 HydrophobicContact CB-CD1 4.05Å; H393-L827 VanDerWaalsContact NE2-C 3.3Å; H393-L827 PolarHBondContact NE2-N 2.99Å; H393-L827 PolarHBondContact NE2-O 3.14Å
828	H	28.4	Very low	31.9	Very low	64 Å²	64	76.6 Å²	76.6	30%	0.296	38%	0.38	S	S	.	.	S	Bend	cis	-131.3	125.5	-3.1	-114.5	85.1	0	0	0	107	D217	D217-H828 IonicContact OD2-CD2 3.05Å; D217-H828 IonicContact OD2-CE1 2.69Å; D217-H828 PolarHBondContact OD2-CE1 3.18Å; D217-H828 VanDerWaalsContact OD2-CE1 3.23Å; D217-H828 IonicContact OD2-NE2 2.63Å; D217-H828 PolarHBondContact OD2-NE2 2.86Å
829	A	24.7	Very low	32	Very low	26 Å²	26	76.4 Å²	76.4	22%	0.215	38%	0.375	C	S	.	.	S	Bend	trans	-160.4	148.9	163.7	0	0	0	0	0	107.5	P831	A829-P831 WeakPolarHBondContact O-CD 3.49Å
830	E	30.2	Very low	32.2	Very low	107 Å²	107	76.6 Å²	76.6	50%	0.5	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-64.8	125.2	176.4	-76	176	127.8	0	0	110.3	N168	N168-E830 PolarHBondContact ND2-OE1 3.13Å
831	P	31.7	Very low	32.6	Very low	32 Å²	32	78.1 Å²	78.1	21%	0.208	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-65	146.4	178	-18.6	30.5	0	0	0	111.5	A829 Y833	A829-P831 WeakPolarHBondContact O-CD 3.49Å; P831-Y833 HydrophobicContact CB-CD1 4.14Å; P831-Y833 HydrophobicContact CB-CD2 4.02Å; P831-Y833 HydrophobicContact CB-CE1 3.81Å; P831-Y833 HydrophobicContact CB-CE2 3.67Å; P831-Y833 HydrophobicContact CB-CG 4.26Å; P831-Y833 WeakPolarHBondContact CD-OH 3.28Å; P831-Y833 HydrophobicContact CG-CE1 3.94Å; P831-Y833 HydrophobicContact CG-CE2 4.01Å; P831-Y833 WeakPolarHBondContact CG-OH 3.35Å; P831-Y833 WeakPolarHBondContact O-CD2 3.31Å; P831-Y833 WeakPolarHBondContact O-CE2 3.37Å
832	D	38.6	Very low	32.6	Very low	70 Å²	70	78.2 Å²	78.2	37%	0.374	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-88.7	116.5	159.5	-179.2	-6.8	0	0	0	107.4	L834	D832-L834 PolarHBondContact OD1-N 3.17Å; D832-L834 VanDerWaalsContact OD1-N 3.08Å
833	Y	39.6	Very low	32.7	Very low	8 Å²	8	74.5 Å²	74.5	3%	0.031	39%	0.39	C	S	.	.			trans	-102.6	0.1	-172.8	-49.9	-106.2	0	0	0	113.3	V164 I166 H187 D189 P831 V836	V164-Y833 VanDerWaalsContact CG1-CB 3.44Å; V164-Y833 HydrophobicContact CG1-CD1 3.64Å; V164-Y833 HydrophobicContact CG1-CD2 4.4Å; V164-Y833 HydrophobicContact CG1-CE1 4.39Å; V164-Y833 HydrophobicContact CG1-CG 3.63Å; V164-Y833 HydrophobicContact CG2-CD1 4.38Å; I166-Y833 HydrophobicContact CB-CE2 4.49Å; I166-Y833 HydrophobicContact CD1-CD2 3.26Å; I166-Y833 HydrophobicContact CD1-CE2 3.26Å; I166-Y833 HydrophobicContact CD1-CG 4.01Å; I166-Y833 HydrophobicContact CG1-CD1 4.49Å; I166-Y833 HydrophobicContact CG1-CD2 3.86Å; I166-Y833 HydrophobicContact CG1-CE1 4.19Å; I166-Y833 HydrophobicContact CG1-CE2 3.52Å; I166-Y833 HydrophobicContact CG1-CG 4.32Å; I166-Y833 HydrophobicContact CG2-CE2 4.22Å; H187-Y833 HydrophobicContact CB-CD1 3.67Å; H187-Y833 HydrophobicContact CB-CE1 3.94Å; D189-Y833 WeakPolarHBondContact CB-OH 3.42Å; D189-Y833 PolarHBondContact OD2-OH 3.44Å; D189-Y833 VanDerWaalsContact OD2-OH 3.07Å; P831-Y833 HydrophobicContact CB-CD1 4.14Å; P831-Y833 HydrophobicContact CB-CD2 4.02Å; P831-Y833 HydrophobicContact CB-CE1 3.81Å; P831-Y833 HydrophobicContact CB-CE2 3.67Å; P831-Y833 HydrophobicContact CB-CG 4.26Å; P831-Y833 WeakPolarHBondContact CD-OH 3.28Å; P831-Y833 HydrophobicContact CG-CE1 3.94Å; P831-Y833 HydrophobicContact CG-CE2 4.01Å; P831-Y833 WeakPolarHBondContact CG-OH 3.35Å; P831-Y833 WeakPolarHBondContact O-CD2 3.31Å; P831-Y833 WeakPolarHBondContact O-CE2 3.37Å; Y833-V836 WeakPolarHBondContact O-CB 3.46Å; Y833-V836 WeakPolarHBondContact O-CG2 3.37Å; Y833-V836 PolarHBondContact O-N 3.37Å
834	L	35.5	Very low	32.9	Very low	81 Å²	81	76.8 Å²	76.8	42%	0.424	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-33.2	175.4	-88.4	89.3	0	0	0	112	F140 D832 V836 L837	F140-L834 HydrophobicContact CD2-CD1 4.47Å; F140-L834 HydrophobicContact CE2-CD1 3.8Å; F140-L834 HydrophobicContact CZ-CD1 4.26Å; D832-L834 PolarHBondContact OD1-N 3.17Å; D832-L834 VanDerWaalsContact OD1-N 3.08Å; L834-V836 PolarHBondContact O-N 3.03Å; L834-L837 PolarHBondContact O-N 3.49Å
835	E	37.2	Very low	33.2	Very low	117 Å²	117	77.4 Å²	77.4	55%	0.547	41%	0.408	S	S	.	.	H	α-helix	trans	-55.6	-21.8	176.2	-165.4	178.7	-154.9	0	0	112.6
836	V	38.7	Very low	33.1	Very low	23 Å²	23	79.1 Å²	79.1	14%	0.139	41%	0.408	C	S	.	.	H	α-helix	trans	-73.2	-25.8	179.7	-173.9	0	0	0	0	113.1	V164 T186 H187 Y833 L834	V164-V836 HydrophobicContact CG2-CB 4.29Å; V164-V836 HydrophobicContact CG2-CG1 4.32Å; T186-V836 WeakPolarHBondContact OG1-CG1 3.46Å; H187-V836 WeakPolarHBondContact CE1-CG2 3.48Å; Y833-V836 WeakPolarHBondContact O-CB 3.46Å; Y833-V836 WeakPolarHBondContact O-CG2 3.37Å; Y833-V836 PolarHBondContact O-N 3.37Å; L834-V836 PolarHBondContact O-N 3.03Å
837	L	33.8	Very low	33.2	Very low	27 Å²	27	81.3 Å²	81.3	14%	0.141	42%	0.418	C	S	.	.	H	α-helix	trans	-78.8	-41	179.7	-102.3	74.9	0	0	0	112.4	E139 K163 L834 Q839	E139-L837 HydrophobicContact CB-CD1 4.05Å; E139-L837 HydrophobicContact CB-CD2 4.01Å; E139-L837 HydrophobicContact CB-CG 4.28Å; K163-L837 HydrophobicContact CD-CD1 4.12Å; K163-L837 HydrophobicContact CD-CG 4.46Å; L834-L837 PolarHBondContact O-N 3.49Å; L837-Q839 VanDerWaalsContact C-N 3.32Å; L837-Q839 PolarHBondContact O-N 3.2Å
838	E	35.9	Very low	33.5	Very low	158 Å²	158	84.9 Å²	84.9	74%	0.738	44%	0.437	S	S	*	.	H	α-helix	trans	-75.6	-18	-170.5	-59.1	-164.5	142.3	0	0	113.3	Q840	E838-Q840 PolarHBondContact O-N 3.48Å
839	Q	33.9	Very low	33.9	Very low	135 Å²	135	86.5 Å²	86.5	63%	0.631	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	12.6	176.3	-66	-175.3	12.8	0	0	114.7	L837	L837-Q839 VanDerWaalsContact C-N 3.32Å; L837-Q839 PolarHBondContact O-N 3.2Å
840	Q	31.3	Very low	34.7	Very low	149 Å²	149	91.6 Å²	91.6	70%	0.696	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136	21.2	-179.2	-71	-164.4	-27.5	0	0	115.6	E838	E838-Q840 PolarHBondContact O-N 3.48Å
841	T	29.5	Very low	35.1	Very low	192 Å²	192	90.2 Å²	90.2	100%	1.178	46%	0.464	S	S	*	.			trans	-124.6	0	171.4	54	0	0	0	0	112.4

Retrieved 841 of 841 residues in 179.9 ms (Link to these results)

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